smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000416299812 239165718 /nfs/dbraw/zinc/16/57/18/239165718.db2.gz GUVQEVZGWYIPGF-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418768546 239323356 /nfs/dbraw/zinc/32/33/56/239323356.db2.gz OXCLSACISBKNRS-KGLIPLIRSA-N 1 0 332.404 2.396 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000422016489 240101521 /nfs/dbraw/zinc/10/15/21/240101521.db2.gz GTJMGOJMYFMFAE-INIZCTEOSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193673918 240258870 /nfs/dbraw/zinc/25/88/70/240258870.db2.gz SZTLWXPNLUXPRA-MEDUHNTESA-N 1 0 329.356 2.469 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000424294405 240895716 /nfs/dbraw/zinc/89/57/16/240895716.db2.gz QDLWYYSAAQTBNL-DGCLKSJQSA-N 1 0 326.784 2.046 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000132822481 223365434 /nfs/dbraw/zinc/36/54/34/223365434.db2.gz RNJPEWDKFVKFSC-GDBMZVCRSA-N 1 0 334.420 2.478 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449700971 242607105 /nfs/dbraw/zinc/60/71/05/242607105.db2.gz BPOBHZKPVYRQNT-CYBMUJFWSA-N 1 0 325.796 2.295 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418788 243107608 /nfs/dbraw/zinc/10/76/08/243107608.db2.gz NBIGSGRACXRZHK-DJIMGWMZSA-N 1 0 347.415 2.467 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488952 243131279 /nfs/dbraw/zinc/13/12/79/243131279.db2.gz JLIRWSGFVMAELA-UAGQMJEPSA-N 1 0 345.399 2.105 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451740047 243237744 /nfs/dbraw/zinc/23/77/44/243237744.db2.gz KXGXJRHJDLTCFE-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262961794 245270551 /nfs/dbraw/zinc/27/05/51/245270551.db2.gz WQEXTATVTUSNKK-JQWIXIFHSA-N 1 0 341.795 2.274 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000126247962 205045995 /nfs/dbraw/zinc/04/59/95/205045995.db2.gz YADNDYUIDRLROP-MRXNPFEDSA-N 1 0 334.420 2.263 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000266456188 284341617 /nfs/dbraw/zinc/34/16/17/284341617.db2.gz YNQHMCWARDSVHL-ZDUSSCGKSA-N 1 0 337.445 2.487 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000127511629 205104389 /nfs/dbraw/zinc/10/43/89/205104389.db2.gz AMCWDLUEFUJOEW-CQSZACIVSA-N 1 0 330.388 2.171 20 5 EEBDRO COCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128625983 205155523 /nfs/dbraw/zinc/15/55/23/205155523.db2.gz ARMTYMKQDNYXJX-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246116734 205177611 /nfs/dbraw/zinc/17/76/11/205177611.db2.gz ACASPIGHRVNSFW-BBRMVZONSA-N 1 0 332.404 2.092 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000112076670 220238752 /nfs/dbraw/zinc/23/87/52/220238752.db2.gz NLKFEQRBIPNOTC-CYBMUJFWSA-N 1 0 343.387 2.065 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157192893 206122484 /nfs/dbraw/zinc/12/24/84/206122484.db2.gz JZQXUIVDZQYERU-GFCCVEGCSA-N 1 0 334.401 2.431 20 5 EEBDRO COCC[NH+](CCOC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264352975 246391902 /nfs/dbraw/zinc/39/19/02/246391902.db2.gz ZTBRNYQPDSYGKR-UHFFFAOYSA-N 1 0 349.387 2.387 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000495172255 247078518 /nfs/dbraw/zinc/07/85/18/247078518.db2.gz IWVADVQHMJEZHZ-ZDUSSCGKSA-N 1 0 334.420 2.442 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000265096869 247200280 /nfs/dbraw/zinc/20/02/80/247200280.db2.gz CGNQXBJJQSHAGX-CYBMUJFWSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266480918 248323158 /nfs/dbraw/zinc/32/31/58/248323158.db2.gz TUIIDWHVZWHONG-OAHLLOKOSA-N 1 0 338.795 2.328 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000175079784 207092163 /nfs/dbraw/zinc/09/21/63/207092163.db2.gz STDSNBXHWHVBOG-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176286152 207211125 /nfs/dbraw/zinc/21/11/25/207211125.db2.gz KODNZWASTWBWFR-KRWDZBQOSA-N 1 0 343.431 2.245 20 5 EEBDRO Nc1c(C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cccc1[N+](=O)[O-] ZINC000177060181 207290258 /nfs/dbraw/zinc/29/02/58/207290258.db2.gz AXLQTMQNXUKASU-ZENOOKHLSA-N 1 0 344.415 2.123 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411956740 533004639 /nfs/dbraw/zinc/00/46/39/533004639.db2.gz AJRPHOFRGGBRSX-MRRJBJDNSA-N 1 0 338.404 2.128 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181109563 207886919 /nfs/dbraw/zinc/88/69/19/207886919.db2.gz BPLYIEJGPPEDEI-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000174921416 255847354 /nfs/dbraw/zinc/84/73/54/255847354.db2.gz HDMHYHHMGUVGKL-NWDGAFQWSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000267988851 256102541 /nfs/dbraw/zinc/10/25/41/256102541.db2.gz PRJVPOXGPUWMIL-OCCSQVGLSA-N 1 0 342.399 2.291 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137632 256211710 /nfs/dbraw/zinc/21/17/10/256211710.db2.gz NPWMZRNVXUKWDU-DZGCQCFKSA-N 1 0 337.420 2.365 20 5 EEBDRO Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272978340 256253855 /nfs/dbraw/zinc/25/38/55/256253855.db2.gz XLCYDECKSGABMM-UHFFFAOYSA-N 1 0 334.397 2.467 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271747221 256240188 /nfs/dbraw/zinc/24/01/88/256240188.db2.gz WUVBUOOXHIXQBU-DOMZBBRYSA-N 1 0 342.417 2.049 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000273499911 256302014 /nfs/dbraw/zinc/30/20/14/256302014.db2.gz LYTUUOFZFYJWOW-HUUCEWRRSA-N 1 0 335.429 2.247 20 5 EEBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273557964 256306638 /nfs/dbraw/zinc/30/66/38/256306638.db2.gz WQESHYPMZJAMSK-HOTGVXAUSA-N 1 0 349.456 2.176 20 5 EEBDRO C[NH+](C)C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000276053349 256398887 /nfs/dbraw/zinc/39/88/87/256398887.db2.gz UNWWIYLPOBZPJF-UHFFFAOYSA-N 1 0 330.388 2.150 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276258342 256415998 /nfs/dbraw/zinc/41/59/98/256415998.db2.gz ARUFRDFXKZWKKZ-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277131632 256500458 /nfs/dbraw/zinc/50/04/58/256500458.db2.gz ZYFQKSKBHYXKRN-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000119734838 292248140 /nfs/dbraw/zinc/24/81/40/292248140.db2.gz PKGPOAHOJWPVED-WFASDCNBSA-N 1 0 338.404 2.270 20 5 EEBDRO COc1cccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185407199 286456458 /nfs/dbraw/zinc/45/64/58/286456458.db2.gz MULURPKSTUPUHS-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000249295311 160377496 /nfs/dbraw/zinc/37/74/96/160377496.db2.gz QXICHXSCVDZZCK-KGLIPLIRSA-N 1 0 348.428 2.346 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261964817 160430286 /nfs/dbraw/zinc/43/02/86/160430286.db2.gz YGTUFJQOCRHDBD-AWEZNQCLSA-N 1 0 341.433 2.188 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132026 159016181 /nfs/dbraw/zinc/01/61/81/159016181.db2.gz YOOOJLQQXTWTEA-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081362921 159151342 /nfs/dbraw/zinc/15/13/42/159151342.db2.gz YCTRDVFVPPLWOM-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177100 159297864 /nfs/dbraw/zinc/29/78/64/159297864.db2.gz KXVVUGVPUPMWLV-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1cccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000366434155 292418303 /nfs/dbraw/zinc/41/83/03/292418303.db2.gz GWLVXGCZWGLIQG-NUEKZKHPSA-N 1 0 347.415 2.227 20 5 EEBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000193794232 160186752 /nfs/dbraw/zinc/18/67/52/160186752.db2.gz WDIJYQMIAGJOHG-AWEZNQCLSA-N 1 0 329.356 2.440 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237455228 160222357 /nfs/dbraw/zinc/22/23/57/160222357.db2.gz ZCJFNCYEZLOBJU-VWYCJHECSA-N 1 0 341.795 2.224 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000246511341 160283198 /nfs/dbraw/zinc/28/31/98/160283198.db2.gz FIXDXNRVZSXDEN-XJKSGUPXSA-N 1 0 333.388 2.424 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000338521926 160773580 /nfs/dbraw/zinc/77/35/80/160773580.db2.gz AYFNHOSPBBKINE-ZDUSSCGKSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N[C@H](C(C)=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342296013 161054418 /nfs/dbraw/zinc/05/44/18/161054418.db2.gz PSVGXPAMVKQMJA-RDJZCZTQSA-N 1 0 335.404 2.365 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000342771196 161089396 /nfs/dbraw/zinc/08/93/96/161089396.db2.gz YOZVQSGCBSKXJJ-HNNXBMFYSA-N 1 0 346.362 2.349 20 5 EEBDRO Cc1cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000343057185 161098804 /nfs/dbraw/zinc/09/88/04/161098804.db2.gz RLSHSKNBCBOOJF-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)[C@@H]3CCOC3)cs2)c1 ZINC000344482959 161232196 /nfs/dbraw/zinc/23/21/96/161232196.db2.gz KOXANVLUKBNQMV-IUODEOHRSA-N 1 0 349.412 2.205 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345975074 161346707 /nfs/dbraw/zinc/34/67/07/161346707.db2.gz XTKOQMGHZBFTDE-ZIAGYGMSSA-N 1 0 335.404 2.305 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000345974132 161346960 /nfs/dbraw/zinc/34/69/60/161346960.db2.gz XRJIAGGZALTGIK-QWRGUYRKSA-N 1 0 331.376 2.026 20 5 EEBDRO COc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981478 163040642 /nfs/dbraw/zinc/04/06/42/163040642.db2.gz OHXVIBUUCPFECT-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000356305879 163399943 /nfs/dbraw/zinc/39/99/43/163399943.db2.gz WEFYMEQWVKLKHP-QGZVFWFLSA-N 1 0 335.379 2.221 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000359776357 164169778 /nfs/dbraw/zinc/16/97/78/164169778.db2.gz WZHIIXYHGCMBOX-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366724400 165843309 /nfs/dbraw/zinc/84/33/09/165843309.db2.gz OPDULNJCYBDDCC-CYBMUJFWSA-N 1 0 347.419 2.099 20 5 EEBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898001 166148450 /nfs/dbraw/zinc/14/84/50/166148450.db2.gz VSNWCUNFUDWKDI-DZGCQCFKSA-N 1 0 339.779 2.344 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000369911223 166355439 /nfs/dbraw/zinc/35/54/39/166355439.db2.gz KCRMCGRBRSWKCM-NWANDNLSSA-N 1 0 344.415 2.369 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375362075 167119390 /nfs/dbraw/zinc/11/93/90/167119390.db2.gz NJRZKHOINDMLSL-UHFFFAOYSA-N 1 0 346.362 2.112 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261882879 287569547 /nfs/dbraw/zinc/56/95/47/287569547.db2.gz UIUNHZNAOMUHKF-UKRRQHHQSA-N 1 0 346.431 2.394 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237852814 268663704 /nfs/dbraw/zinc/66/37/04/268663704.db2.gz JSNYSKXJXCNWLV-LLVKDONJSA-N 1 0 341.795 2.214 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000272350733 268958942 /nfs/dbraw/zinc/95/89/42/268958942.db2.gz YCTQQQHBESUVSZ-OCCSQVGLSA-N 1 0 332.404 2.004 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272459752 268978305 /nfs/dbraw/zinc/97/83/05/268978305.db2.gz DGHOARCSRGUNFZ-CYBMUJFWSA-N 1 0 327.331 2.239 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+](C)C ZINC000274835033 269060630 /nfs/dbraw/zinc/06/06/30/269060630.db2.gz SDDZTXBMSZAVND-KBPBESRZSA-N 1 0 338.433 2.413 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1OC ZINC000274973227 269081185 /nfs/dbraw/zinc/08/11/85/269081185.db2.gz WNRNJLSVLIIWGI-MRVWCRGKSA-N 1 0 346.330 2.478 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275181437 269101497 /nfs/dbraw/zinc/10/14/97/269101497.db2.gz WWZFCUBNIHXGKP-GZMMTYOYSA-N 1 0 331.294 2.341 20 5 EEBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277805871 269185350 /nfs/dbraw/zinc/18/53/50/269185350.db2.gz PQQLRXFBSSEVHW-SFHVURJKSA-N 1 0 347.415 2.111 20 5 EEBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000284447980 269596298 /nfs/dbraw/zinc/59/62/98/269596298.db2.gz CJJDYZBAPFFZPV-QWHCGFSZSA-N 1 0 343.330 2.106 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1O ZINC000188943848 274034217 /nfs/dbraw/zinc/03/42/17/274034217.db2.gz HFPFDELGQUCUNU-OAHLLOKOSA-N 1 0 346.383 2.311 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000191680552 274049851 /nfs/dbraw/zinc/04/98/51/274049851.db2.gz QCMCBAZMXKGUPD-UHFFFAOYSA-N 1 0 348.363 2.006 20 5 EEBDRO COc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271608190 274144921 /nfs/dbraw/zinc/14/49/21/274144921.db2.gz JOKYADRICMCGNK-GXTWGEPZSA-N 1 0 329.397 2.224 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272478499 274173418 /nfs/dbraw/zinc/17/34/18/274173418.db2.gz UPTNOCQQDNBZEE-LLVKDONJSA-N 1 0 342.827 2.430 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000274444556 274196441 /nfs/dbraw/zinc/19/64/41/274196441.db2.gz IAMCTULGQRJONE-CYBMUJFWSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000408069981 274331168 /nfs/dbraw/zinc/33/11/68/274331168.db2.gz HAQIRZVSRLJCMP-VXGBXAGGSA-N 1 0 328.372 2.308 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000285634457 274765578 /nfs/dbraw/zinc/76/55/78/274765578.db2.gz XKFDJDWSWHYQAM-CYBMUJFWSA-N 1 0 338.433 2.426 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000285903153 274812260 /nfs/dbraw/zinc/81/22/60/274812260.db2.gz RZBRCRPKZKRUAX-CABCVRRESA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286612083 274889240 /nfs/dbraw/zinc/88/92/40/274889240.db2.gz UIGBOCWWKNIQNW-CJNGLKHVSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453637 275060083 /nfs/dbraw/zinc/06/00/83/275060083.db2.gz PPDWDDZZDZBRAC-ZYHUDNBSSA-N 1 0 336.367 2.015 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000288527084 275067050 /nfs/dbraw/zinc/06/70/50/275067050.db2.gz UIRHESCOUUSXHP-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000289169879 275102194 /nfs/dbraw/zinc/10/21/94/275102194.db2.gz UZQQAKPTTKJVFU-UHFFFAOYSA-N 1 0 349.357 2.304 20 5 EEBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289591220 275130506 /nfs/dbraw/zinc/13/05/06/275130506.db2.gz QWBUJPGWMPJVCC-ZDUSSCGKSA-N 1 0 341.795 2.327 20 5 EEBDRO CC[N@H+](CCO)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801643 275241319 /nfs/dbraw/zinc/24/13/19/275241319.db2.gz FGNVWEAZGVHRRL-UHFFFAOYSA-N 1 0 336.219 2.305 20 5 EEBDRO C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291673781 275328755 /nfs/dbraw/zinc/32/87/55/275328755.db2.gz QIIWXFUTIBHFLS-DYVFJYSZSA-N 1 0 332.404 2.393 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+](C)C)cc1SC ZINC000292484938 275435943 /nfs/dbraw/zinc/43/59/43/275435943.db2.gz WDPPBSGQBHKDJJ-SNVBAGLBSA-N 1 0 341.433 2.253 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000347247125 279128228 /nfs/dbraw/zinc/12/82/28/279128228.db2.gz YIZSJAKOYVKZBD-ZDUSSCGKSA-N 1 0 332.404 2.396 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000349243380 280156479 /nfs/dbraw/zinc/15/64/79/280156479.db2.gz BJRCRZBLUKSXHI-STQMWFEESA-N 1 0 326.418 2.471 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188736620 281395431 /nfs/dbraw/zinc/39/54/31/281395431.db2.gz WAEFGWPEUDAUCI-CYBMUJFWSA-N 1 0 349.431 2.074 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000281916304 292794478 /nfs/dbraw/zinc/79/44/78/292794478.db2.gz JEBPVRDQROJJKU-GFCCVEGCSA-N 1 0 332.404 2.370 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293151720 293138386 /nfs/dbraw/zinc/13/83/86/293138386.db2.gz BRTTXNYALYSVPK-SNVBAGLBSA-N 1 0 336.310 2.359 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293603400 293249629 /nfs/dbraw/zinc/24/96/29/293249629.db2.gz ZYQBMTRMOBVSQY-HUBLWGQQSA-N 1 0 335.429 2.286 20 5 EEBDRO CC1CC[NH+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294432994 293452377 /nfs/dbraw/zinc/45/23/77/293452377.db2.gz KHPDXSQLZKRTJK-UHFFFAOYSA-N 1 0 347.415 2.406 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000296792693 294068713 /nfs/dbraw/zinc/06/87/13/294068713.db2.gz DMIACQXWMVUPMX-JTQLQIEISA-N 1 0 349.416 2.156 20 5 EEBDRO CCOCC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296985278 294120980 /nfs/dbraw/zinc/12/09/80/294120980.db2.gz DZWAXBRBLOQQFQ-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CCOC1(C)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000298383710 294486157 /nfs/dbraw/zinc/48/61/57/294486157.db2.gz VSOKIDIAUPKTJY-AWEZNQCLSA-N 1 0 338.404 2.226 20 5 EEBDRO Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301063988 294818216 /nfs/dbraw/zinc/81/82/16/294818216.db2.gz CMPKKMXPSMHUEH-UHFFFAOYSA-N 1 0 332.448 2.367 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC000178979948 302050780 /nfs/dbraw/zinc/05/07/80/302050780.db2.gz YBBHVCVKIZCWPK-DOMZBBRYSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332107977 311950946 /nfs/dbraw/zinc/95/09/46/311950946.db2.gz FIOADDGUEPOQMB-GJZGRUSLSA-N 1 0 346.431 2.116 20 5 EEBDRO CCC[NH2+]CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417987863 313678109 /nfs/dbraw/zinc/67/81/09/313678109.db2.gz JKPATWOTNLBTMU-UHFFFAOYSA-N 1 0 328.800 2.090 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000421780852 314163104 /nfs/dbraw/zinc/16/31/04/314163104.db2.gz WDSFXVYHWQDKMN-HNNXBMFYSA-N 1 0 347.415 2.006 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000430627886 314561458 /nfs/dbraw/zinc/56/14/58/314561458.db2.gz NSRFGKSWMRZCNN-OAHLLOKOSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000435889164 314930158 /nfs/dbraw/zinc/93/01/58/314930158.db2.gz MJAYGDJNRYOMGR-RDTXWAMCSA-N 1 0 346.431 2.211 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000439075570 315066494 /nfs/dbraw/zinc/06/64/94/315066494.db2.gz GUQIUXWNIWYYHC-MPESAESLSA-N 1 0 333.388 2.469 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448881521 315396783 /nfs/dbraw/zinc/39/67/83/315396783.db2.gz MBSXQPCLOZQQRO-AWEZNQCLSA-N 1 0 343.387 2.151 20 5 EEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408266 315960624 /nfs/dbraw/zinc/96/06/24/315960624.db2.gz AZVQLZJUVTUAMU-DZGCQCFKSA-N 1 0 341.795 2.327 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000541570955 318103216 /nfs/dbraw/zinc/10/32/16/318103216.db2.gz KXFJECKVHWXOEH-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547269581 318276598 /nfs/dbraw/zinc/27/65/98/318276598.db2.gz WHPRFZDZEVPVEW-LBPRGKRZSA-N 1 0 337.395 2.470 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000564854471 319118517 /nfs/dbraw/zinc/11/85/17/319118517.db2.gz QEBKOTKVLYXAMM-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000567561214 319389964 /nfs/dbraw/zinc/38/99/64/319389964.db2.gz OLDUXDQPDJYTPP-INIZCTEOSA-N 1 0 332.404 2.411 20 5 EEBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CC(C)C1 ZINC000572422058 319844430 /nfs/dbraw/zinc/84/44/30/319844430.db2.gz RFLQSKJEVKHJJU-CQSZACIVSA-N 1 0 347.415 2.305 20 5 EEBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c(C)cc1[N+](=O)[O-] ZINC000572498252 319852446 /nfs/dbraw/zinc/85/24/46/319852446.db2.gz MXGCSDHMYDKHKS-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000574050844 319991364 /nfs/dbraw/zinc/99/13/64/319991364.db2.gz MLHVHAHIHMGRCD-INIZCTEOSA-N 1 0 347.415 2.340 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1SC ZINC000577947379 320285287 /nfs/dbraw/zinc/28/52/87/320285287.db2.gz YFOBTHUDYBKWIA-HNNXBMFYSA-N 1 0 341.433 2.429 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579473840 323860892 /nfs/dbraw/zinc/86/08/92/323860892.db2.gz PRURECHBGUFCRD-HTQZYQBOSA-N 1 0 332.307 2.444 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606164 448916426 /nfs/dbraw/zinc/91/64/26/448916426.db2.gz KWCUPWBOYAXGSY-UPJWGTAASA-N 1 0 347.419 2.049 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296051919 465064546 /nfs/dbraw/zinc/06/45/46/465064546.db2.gz FSQPAKVOHWRXBG-IAOVAPTHSA-N 1 0 345.399 2.389 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000347592466 465111311 /nfs/dbraw/zinc/11/13/11/465111311.db2.gz NNBZOYJSYDSHHO-GJZGRUSLSA-N 1 0 343.431 2.423 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000339308769 465199272 /nfs/dbraw/zinc/19/92/72/465199272.db2.gz JPFJJMMXQBGVKG-UHFFFAOYSA-N 1 0 348.378 2.349 20 5 EEBDRO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)(C)C[NH+](C)C ZINC000342352229 465312333 /nfs/dbraw/zinc/31/23/33/465312333.db2.gz UGFHKVSMBFJDEM-SNVBAGLBSA-N 1 0 333.392 2.632 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000590566421 468274140 /nfs/dbraw/zinc/27/41/40/468274140.db2.gz HXYHDKGAMRHHNI-KBPBESRZSA-N 1 0 335.404 2.223 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000590580089 468277030 /nfs/dbraw/zinc/27/70/30/468277030.db2.gz ZMLDFLMONVHZEA-NSHDSACASA-N 1 0 332.326 2.271 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521141593 468291828 /nfs/dbraw/zinc/29/18/28/468291828.db2.gz NAMZJONYLWQPOK-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000152712303 462572335 /nfs/dbraw/zinc/57/23/35/462572335.db2.gz ZEDVKDBHKCUGRR-OAHLLOKOSA-N 1 0 346.383 2.305 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000590688532 468306250 /nfs/dbraw/zinc/30/62/50/468306250.db2.gz IZTIRSTUDIECCE-DLBZAZTESA-N 1 0 342.399 2.178 20 5 EEBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCOCC1 ZINC000153122542 462617297 /nfs/dbraw/zinc/61/72/97/462617297.db2.gz HAABYWOAYFOIMH-MAUKXSAKSA-N 1 0 347.459 2.474 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000114199169 462631253 /nfs/dbraw/zinc/63/12/53/462631253.db2.gz FRFVKIFCLGYCRT-NSHDSACASA-N 1 0 340.811 2.070 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153686053 462679034 /nfs/dbraw/zinc/67/90/34/462679034.db2.gz LUFRRACMFUMSSS-DYVFJYSZSA-N 1 0 333.388 2.343 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153903374 462707362 /nfs/dbraw/zinc/70/73/62/462707362.db2.gz CDWXWLBLOIYIKM-KRWDZBQOSA-N 1 0 349.387 2.044 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000154180139 462738255 /nfs/dbraw/zinc/73/82/55/462738255.db2.gz BAKPXEMOPWMBFA-KBPBESRZSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1ccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000075772370 462758276 /nfs/dbraw/zinc/75/82/76/462758276.db2.gz BIJVFZDQCVTJJI-UHFFFAOYSA-N 1 0 342.399 2.425 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000047416178 462779999 /nfs/dbraw/zinc/77/99/99/462779999.db2.gz FAEZIQGWNQMQQN-GJZGRUSLSA-N 1 0 349.431 2.458 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1(=O)=O ZINC000090466250 462792295 /nfs/dbraw/zinc/79/22/95/462792295.db2.gz IJYWVADMYUXBKE-TZMCWYRMSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000065901191 462838141 /nfs/dbraw/zinc/83/81/41/462838141.db2.gz CESOKHLMSVOCQO-AWEZNQCLSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000132264822 462848217 /nfs/dbraw/zinc/84/82/17/462848217.db2.gz LZSBJJYMSFQKFA-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854575 462856714 /nfs/dbraw/zinc/85/67/14/462856714.db2.gz PAMGPCGEMDJAJE-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156088539 462977406 /nfs/dbraw/zinc/97/74/06/462977406.db2.gz SYIDRGMAXNZUKY-KCJUWKMLSA-N 1 0 342.193 2.309 20 5 EEBDRO COc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067273325 462986714 /nfs/dbraw/zinc/98/67/14/462986714.db2.gz DWKFQISEGMRUEB-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCOCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000051738476 463047458 /nfs/dbraw/zinc/04/74/58/463047458.db2.gz OZSGAGKRYLBMBU-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1ncsc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078950151 463171134 /nfs/dbraw/zinc/17/11/34/463171134.db2.gz NAJVCEBHKOFSRI-LBPRGKRZSA-N 1 0 333.417 2.484 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068777307 463173903 /nfs/dbraw/zinc/17/39/03/463173903.db2.gz QEJVPNZPKBEPOL-UHFFFAOYSA-N 1 0 344.415 2.492 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000069474489 463254086 /nfs/dbraw/zinc/25/40/86/463254086.db2.gz FZHHNYVZJIQSJF-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159025190 463265001 /nfs/dbraw/zinc/26/50/01/463265001.db2.gz PGOGMSFSSWHBOM-UHFFFAOYSA-N 1 0 344.209 2.429 20 5 EEBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000080747822 463352111 /nfs/dbraw/zinc/35/21/11/463352111.db2.gz NSNLZQHWNKYNFL-WDEREUQCSA-N 1 0 335.360 2.382 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000032296842 463369972 /nfs/dbraw/zinc/36/99/72/463369972.db2.gz UDHTWYZDHLXWCV-ZIAGYGMSSA-N 1 0 335.404 2.132 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000071080516 463407148 /nfs/dbraw/zinc/40/71/48/463407148.db2.gz MIOLKEFKEVCMOR-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150768233 463424103 /nfs/dbraw/zinc/42/41/03/463424103.db2.gz AWLMVENSFTZPMX-HNNXBMFYSA-N 1 0 346.431 2.259 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000081598575 463467703 /nfs/dbraw/zinc/46/77/03/463467703.db2.gz SPWVOIQISPMILX-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1sc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125093799 463502406 /nfs/dbraw/zinc/50/24/06/463502406.db2.gz BVDUIURYKBIULW-MNOVXSKESA-N 1 0 347.462 2.116 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043935236 463662631 /nfs/dbraw/zinc/66/26/31/463662631.db2.gz BWUDNWGOLMIFRA-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000170684612 463695190 /nfs/dbraw/zinc/69/51/90/463695190.db2.gz NBGISOASYDOIRZ-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000170688795 463695610 /nfs/dbraw/zinc/69/56/10/463695610.db2.gz QXBGBWZDJAPWEN-INIZCTEOSA-N 1 0 340.383 2.380 20 5 EEBDRO Cc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000276900002 463799706 /nfs/dbraw/zinc/79/97/06/463799706.db2.gz SBHRKTOWMJFVRN-UHFFFAOYSA-N 1 0 334.420 2.337 20 5 EEBDRO CSc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194210314 463815151 /nfs/dbraw/zinc/81/51/51/463815151.db2.gz XVLINRYJIUTDKT-UHFFFAOYSA-N 1 0 335.429 2.485 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1 ZINC000261724469 463840328 /nfs/dbraw/zinc/84/03/28/463840328.db2.gz NSWGOAWMUZJBKK-OAHLLOKOSA-N 1 0 335.795 2.091 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000269005793 463844308 /nfs/dbraw/zinc/84/43/08/463844308.db2.gz LDIHIEDWPBTKTG-MGPQQGTHSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414393 463858745 /nfs/dbraw/zinc/85/87/45/463858745.db2.gz PAEGFSAQKTZRRW-QWRGUYRKSA-N 1 0 335.360 2.430 20 5 EEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186058280 463929534 /nfs/dbraw/zinc/92/95/34/463929534.db2.gz ITGRBOKVRBEBSB-UHFFFAOYSA-N 1 0 349.435 2.132 20 5 EEBDRO Cn1cc(C[N@@H+]2CCC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269340233 463958619 /nfs/dbraw/zinc/95/86/19/463958619.db2.gz FUVDFGOOGPELEO-ZDUSSCGKSA-N 1 0 330.388 2.200 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579072 464026163 /nfs/dbraw/zinc/02/61/63/464026163.db2.gz YXCYCZJBSFRVJP-RDJZCZTQSA-N 1 0 338.404 2.259 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262487144 464030552 /nfs/dbraw/zinc/03/05/52/464030552.db2.gz SUXLKGXVPSFCLS-CQSZACIVSA-N 1 0 337.423 2.269 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000269684633 464057306 /nfs/dbraw/zinc/05/73/06/464057306.db2.gz ZHLGXTGWGMWICB-OAHLLOKOSA-N 1 0 348.428 2.297 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236721479 464220471 /nfs/dbraw/zinc/22/04/71/464220471.db2.gz NHUMQNLVYOGPSK-CYBMUJFWSA-N 1 0 349.840 2.290 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270275935 464242564 /nfs/dbraw/zinc/24/25/64/464242564.db2.gz SMKPQBKQVXNLMR-SJORKVTESA-N 1 0 342.399 2.362 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000280958335 464280404 /nfs/dbraw/zinc/28/04/04/464280404.db2.gz UOWCXMQAZSTSNH-SNVBAGLBSA-N 1 0 347.387 2.436 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCC(F)F ZINC000188758820 464362801 /nfs/dbraw/zinc/36/28/01/464362801.db2.gz LSQVBYBSLWKLIP-JTQLQIEISA-N 1 0 331.319 2.183 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271761744 464374735 /nfs/dbraw/zinc/37/47/35/464374735.db2.gz GXHUFPPEMSOWKB-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000188936849 464401404 /nfs/dbraw/zinc/40/14/04/464401404.db2.gz AJTGMVPVYVMENV-LLVKDONJSA-N 1 0 325.340 2.173 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237908837 464401768 /nfs/dbraw/zinc/40/17/68/464401768.db2.gz ZPFIXDBHVFJVAO-XJKSGUPXSA-N 1 0 334.420 2.421 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[NH2+]C1CC1 ZINC000238150887 464435214 /nfs/dbraw/zinc/43/52/14/464435214.db2.gz VPSHJZAGEKNMAG-UHFFFAOYSA-N 1 0 335.407 2.023 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272024386 464451453 /nfs/dbraw/zinc/45/14/53/464451453.db2.gz VSKVAYXWAUOFGL-UHFFFAOYSA-N 1 0 332.404 2.165 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181429566 464489034 /nfs/dbraw/zinc/48/90/34/464489034.db2.gz PKYXCPVIMQBDJN-LLVKDONJSA-N 1 0 343.330 2.362 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000265101159 464509303 /nfs/dbraw/zinc/50/93/03/464509303.db2.gz DXQRCGNTDFBZAD-HZPDHXFCSA-N 1 0 333.388 2.485 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189472446 464512335 /nfs/dbraw/zinc/51/23/35/464512335.db2.gz MNGZISAEHFMDFE-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181629477 464516460 /nfs/dbraw/zinc/51/64/60/464516460.db2.gz VRNNLPOAHXRTFZ-YPMHNXCESA-N 1 0 349.435 2.020 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000245921187 464527404 /nfs/dbraw/zinc/52/74/04/464527404.db2.gz GZJBTFZASCCWHC-HOCLYGCPSA-N 1 0 332.404 2.221 20 5 EEBDRO COc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000294615155 464553635 /nfs/dbraw/zinc/55/36/35/464553635.db2.gz ORYGMIVGHQCAPX-UHFFFAOYSA-N 1 0 339.367 2.156 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000281756328 464574555 /nfs/dbraw/zinc/57/45/55/464574555.db2.gz YUZYFTRBMXPBAB-ZDUSSCGKSA-N 1 0 335.404 2.271 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294953878 464661159 /nfs/dbraw/zinc/66/11/59/464661159.db2.gz OEIHJODCLMMZAZ-SNVBAGLBSA-N 1 0 331.294 2.438 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285757361 464684752 /nfs/dbraw/zinc/68/47/52/464684752.db2.gz ZDXOWPGTLSGXPA-ZIAGYGMSSA-N 1 0 348.321 2.408 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997421 464769317 /nfs/dbraw/zinc/76/93/17/464769317.db2.gz YCOWWKNLXLZZRF-HIFRSBDPSA-N 1 0 333.388 2.059 20 5 EEBDRO CCOCCCNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282383860 464797507 /nfs/dbraw/zinc/79/75/07/464797507.db2.gz GCVJTLUKLZWIPV-CQSZACIVSA-N 1 0 337.420 2.000 20 5 EEBDRO C[C@H]1CN(c2ccccc2F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000191623011 464823510 /nfs/dbraw/zinc/82/35/10/464823510.db2.gz UKYPEKJJBOBNQK-ZDUSSCGKSA-N 1 0 333.367 2.141 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276258339 464867225 /nfs/dbraw/zinc/86/72/25/464867225.db2.gz ARUFRDFXKZWKKZ-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO Cn1cncc1[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000276372574 464907689 /nfs/dbraw/zinc/90/76/89/464907689.db2.gz SNMXURSXYBAOER-PWSUYJOCSA-N 1 0 336.373 2.040 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000184476786 464981993 /nfs/dbraw/zinc/98/19/93/464981993.db2.gz YLJKIRNGOYSQMQ-AHIWAGSCSA-N 1 0 344.415 2.123 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000192730957 464985482 /nfs/dbraw/zinc/98/54/82/464985482.db2.gz FWBHBCVVITULDQ-UHFFFAOYSA-N 1 0 348.407 2.067 20 5 EEBDRO CCn1cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000295884432 464995373 /nfs/dbraw/zinc/99/53/73/464995373.db2.gz CIQUHBYDXDDJGG-NSHDSACASA-N 1 0 347.375 2.109 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000342483237 465324463 /nfs/dbraw/zinc/32/44/63/465324463.db2.gz YTUVEQVEBHFBPC-WDEREUQCSA-N 1 0 331.376 2.163 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593911208 468430871 /nfs/dbraw/zinc/43/08/71/468430871.db2.gz FYMNGFGEVSEPIZ-QJPTWQEYSA-N 1 0 339.417 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000351882357 465416887 /nfs/dbraw/zinc/41/68/87/465416887.db2.gz FWPVPEOHOCDUBB-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000359538771 465440772 /nfs/dbraw/zinc/44/07/72/465440772.db2.gz NGCRIGFSGHQRTR-ZWNOBZJWSA-N 1 0 348.359 2.148 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC1CC[NH2+]CC1 ZINC000593919233 468433737 /nfs/dbraw/zinc/43/37/37/468433737.db2.gz OQXNQJVFLOYDTN-UHFFFAOYSA-N 1 0 325.796 2.297 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000348312980 465545086 /nfs/dbraw/zinc/54/50/86/465545086.db2.gz FIZDZRXLCBXXOM-LBPRGKRZSA-N 1 0 331.376 2.316 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000299213491 465650062 /nfs/dbraw/zinc/65/00/62/465650062.db2.gz HCWVZXPZHOYLSU-UHFFFAOYSA-N 1 0 337.420 2.376 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330605581 465728798 /nfs/dbraw/zinc/72/87/98/465728798.db2.gz ZHPFEKWSRRETTF-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000299627735 465832464 /nfs/dbraw/zinc/83/24/64/465832464.db2.gz XZLYVIPKGQMEFN-LLVKDONJSA-N 1 0 335.364 2.032 20 5 EEBDRO CNc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361209595 465838793 /nfs/dbraw/zinc/83/87/93/465838793.db2.gz HAMHPPVGVWRELP-CYBMUJFWSA-N 1 0 332.404 2.337 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357184744 465839862 /nfs/dbraw/zinc/83/98/62/465839862.db2.gz DZQWCMARPISVIJ-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548712980 468457827 /nfs/dbraw/zinc/45/78/27/468457827.db2.gz IAUHMWDTWIBNLU-GFCCVEGCSA-N 1 0 349.435 2.202 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353440061 465884483 /nfs/dbraw/zinc/88/44/83/465884483.db2.gz YTJGNDQYFKIIGO-INIZCTEOSA-N 1 0 329.404 2.103 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170540 465958370 /nfs/dbraw/zinc/95/83/70/465958370.db2.gz AOILASFMYSFRSW-AVGNSLFASA-N 1 0 349.435 2.244 20 5 EEBDRO CC(C)[NH2+]C1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000340295045 465962644 /nfs/dbraw/zinc/96/26/44/465962644.db2.gz IPDMEXRYRHNQNN-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176630 465963799 /nfs/dbraw/zinc/96/37/99/465963799.db2.gz KDXZHWCYMHLWEZ-ZQIUZPCESA-N 1 0 347.415 2.162 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C[C@H]4CCOC4)CC3)ccc2c1 ZINC000301534502 465979834 /nfs/dbraw/zinc/97/98/34/465979834.db2.gz IOEIHUYWHPOEKN-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO CC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](CC)CC ZINC000346232137 466012810 /nfs/dbraw/zinc/01/28/10/466012810.db2.gz YSMQITLPOUGBDY-ZFWWWQNUSA-N 1 0 349.435 2.123 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000580106038 468467551 /nfs/dbraw/zinc/46/75/51/468467551.db2.gz XXZSGJCEJPVQLX-UHFFFAOYSA-N 1 0 349.435 2.389 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353668434 466053093 /nfs/dbraw/zinc/05/30/93/466053093.db2.gz FYXUHBYSEIILBI-INIZCTEOSA-N 1 0 343.431 2.492 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@](F)(CO)C3)o2)c1 ZINC000338590179 466241674 /nfs/dbraw/zinc/24/16/74/466241674.db2.gz DMMCCDZBZRAVNR-INIZCTEOSA-N 1 0 335.335 2.199 20 5 EEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597217499 468482947 /nfs/dbraw/zinc/48/29/47/468482947.db2.gz DBCXFRUSJDVRHV-XBXGTLAGSA-N 1 0 344.371 2.037 20 5 EEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000331944090 466316438 /nfs/dbraw/zinc/31/64/38/466316438.db2.gz SEPJOTLSOLKKDC-HNNXBMFYSA-N 1 0 337.351 2.316 20 5 EEBDRO Cn1c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000332010483 466344975 /nfs/dbraw/zinc/34/49/75/466344975.db2.gz QNAXWTDPZWHQGS-ZDUSSCGKSA-N 1 0 328.372 2.066 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000305743577 466443954 /nfs/dbraw/zinc/44/39/54/466443954.db2.gz UBYNXHAQDGIZGO-MSOLQXFVSA-N 1 0 328.368 2.052 20 5 EEBDRO CN1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000358151571 466497597 /nfs/dbraw/zinc/49/75/97/466497597.db2.gz BCPUVCBHDKDXJY-QGZVFWFLSA-N 1 0 347.440 2.480 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+](C)C)CC1 ZINC000354407034 466544557 /nfs/dbraw/zinc/54/45/57/466544557.db2.gz LMFJHWUASXDXIN-ZDUSSCGKSA-N 1 0 334.420 2.195 20 5 EEBDRO Cc1c(CC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591651658 468498179 /nfs/dbraw/zinc/49/81/79/468498179.db2.gz FSBYQDSSTCMHCP-CYBMUJFWSA-N 1 0 331.416 2.436 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1C ZINC000319772974 466600074 /nfs/dbraw/zinc/60/00/74/466600074.db2.gz ZELUMOWGOFMEBA-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591678417 468501290 /nfs/dbraw/zinc/50/12/90/468501290.db2.gz UODYIXDZBRQYQB-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000362186221 466609904 /nfs/dbraw/zinc/60/99/04/466609904.db2.gz ZBWOABHWEMBBTN-NSHDSACASA-N 1 0 348.346 2.354 20 5 EEBDRO COc1cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000591680800 468501996 /nfs/dbraw/zinc/50/19/96/468501996.db2.gz IKKZTLXWLXAHMK-UHFFFAOYSA-N 1 0 333.388 2.268 20 5 EEBDRO O=C1N[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC000372996754 466658757 /nfs/dbraw/zinc/65/87/57/466658757.db2.gz DEPQDLDADCSZAC-PWSUYJOCSA-N 1 0 325.752 2.179 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000374617669 466694316 /nfs/dbraw/zinc/69/43/16/466694316.db2.gz CZFQVYYWKBUQPG-AWEZNQCLSA-N 1 0 334.351 2.474 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415667177 466705914 /nfs/dbraw/zinc/70/59/14/466705914.db2.gz XVIDOHZRNNHNEQ-NWDGAFQWSA-N 1 0 336.392 2.442 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415667181 466706359 /nfs/dbraw/zinc/70/63/59/466706359.db2.gz XVIDOHZRNNHNEQ-VXGBXAGGSA-N 1 0 336.392 2.442 20 5 EEBDRO C[C@H](NC(=O)N1CCC2(C1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000417141676 466790763 /nfs/dbraw/zinc/79/07/63/466790763.db2.gz RSRXNYLVOKDFIA-ZDUSSCGKSA-N 1 0 332.404 2.441 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423726380 466814961 /nfs/dbraw/zinc/81/49/61/466814961.db2.gz UBTYUVFPPGHTLA-KGLIPLIRSA-N 1 0 347.415 2.374 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000411791150 466903344 /nfs/dbraw/zinc/90/33/44/466903344.db2.gz PSEBRRUUVBDNSV-LLVKDONJSA-N 1 0 339.392 2.023 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417726637 466918297 /nfs/dbraw/zinc/91/82/97/466918297.db2.gz MVGMPVDYKQPAOL-CVEARBPZSA-N 1 0 346.431 2.168 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411906006 466928606 /nfs/dbraw/zinc/92/86/06/466928606.db2.gz NMPDRXVGBGNPOL-LLVKDONJSA-N 1 0 341.383 2.132 20 5 EEBDRO O=C(CN1CC[C@@](O)(C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365839196 466958122 /nfs/dbraw/zinc/95/81/22/466958122.db2.gz QTXAHLLPOYYVDY-HNNXBMFYSA-N 1 0 339.779 2.034 20 5 EEBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000411999864 466964711 /nfs/dbraw/zinc/96/47/11/466964711.db2.gz TZIWCKUDSAJNKL-UHFFFAOYSA-N 1 0 329.347 2.073 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000370831676 467019214 /nfs/dbraw/zinc/01/92/14/467019214.db2.gz VRUPTMZXUSPCHJ-LBPRGKRZSA-N 1 0 346.412 2.124 20 5 EEBDRO CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000412222879 467042105 /nfs/dbraw/zinc/04/21/05/467042105.db2.gz SNQOCOKNJVAVAF-JJXSEGSLSA-N 1 0 349.456 2.202 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418435636 467110909 /nfs/dbraw/zinc/11/09/09/467110909.db2.gz AYJUJQRJECYLQW-CYBMUJFWSA-N 1 0 336.392 2.016 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000428041630 467197002 /nfs/dbraw/zinc/19/70/02/467197002.db2.gz RAHIBNDWYVAKMJ-GDBMZVCRSA-N 1 0 342.399 2.476 20 5 EEBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000451092753 467245718 /nfs/dbraw/zinc/24/57/18/467245718.db2.gz XTZRJAIQIWKOQS-AWEZNQCLSA-N 1 0 346.431 2.340 20 5 EEBDRO CCn1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056604 467287433 /nfs/dbraw/zinc/28/74/33/467287433.db2.gz ZMLRUIORNDLVEU-HUUCEWRRSA-N 1 0 345.403 2.246 20 5 EEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452024493 467306976 /nfs/dbraw/zinc/30/69/76/467306976.db2.gz ZFVLIHBNDAHNOG-UKRRQHHQSA-N 1 0 349.387 2.440 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000452100365 467322590 /nfs/dbraw/zinc/32/25/90/467322590.db2.gz ZMSTYPZBVIUUAF-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452116521 467329880 /nfs/dbraw/zinc/32/98/80/467329880.db2.gz NFPZANPUNAJSAB-HNNXBMFYSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420359863 467377002 /nfs/dbraw/zinc/37/70/02/467377002.db2.gz KYQRUDSMOIIMCG-INIZCTEOSA-N 1 0 334.420 2.339 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000420449525 467411022 /nfs/dbraw/zinc/41/10/22/467411022.db2.gz KDOCBISPWYGPRU-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C)CC[NH2+]CC1 ZINC000434699126 467420355 /nfs/dbraw/zinc/42/03/55/467420355.db2.gz ZEPSNUDYISEELM-SNVBAGLBSA-N 1 0 341.795 2.274 20 5 EEBDRO O=C(CCN1CCC([NH2+]CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000430542726 467436596 /nfs/dbraw/zinc/43/65/96/467436596.db2.gz DCMZCAFMPWYLKQ-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CC(C)NC(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420633543 467438429 /nfs/dbraw/zinc/43/84/29/467438429.db2.gz JLDSBDLJUJXUOO-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452973707 467449547 /nfs/dbraw/zinc/44/95/47/467449547.db2.gz KLRURWQPCHIQLF-HLLBOEOZSA-N 1 0 331.416 2.326 20 5 EEBDRO COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370255 467462660 /nfs/dbraw/zinc/46/26/60/467462660.db2.gz IFGJZFDBSDIFFP-ZJUUUORDSA-N 1 0 345.346 2.374 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448976209 467609487 /nfs/dbraw/zinc/60/94/87/467609487.db2.gz LPFUAMBJGGAHCQ-ZDUSSCGKSA-N 1 0 335.404 2.404 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449243818 467625694 /nfs/dbraw/zinc/62/56/94/467625694.db2.gz NPQGOKPOFWWRDN-IBGZPJMESA-N 1 0 339.395 2.185 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220432 467802060 /nfs/dbraw/zinc/80/20/60/467802060.db2.gz ZBJDZBGYTLEADP-MRXNPFEDSA-N 1 0 348.447 2.323 20 5 EEBDRO C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000458476975 467842204 /nfs/dbraw/zinc/84/22/04/467842204.db2.gz OMXOALGTCOBQQA-CQSZACIVSA-N 1 0 346.431 2.263 20 5 EEBDRO C[NH+]1CCC(O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000514728765 467951248 /nfs/dbraw/zinc/95/12/48/467951248.db2.gz HSUVINIHTGTVMD-CYBMUJFWSA-N 1 0 347.337 2.245 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459516477 467960724 /nfs/dbraw/zinc/96/07/24/467960724.db2.gz VJTHLOOCHJJBAR-INIZCTEOSA-N 1 0 347.463 2.375 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530716696 468004520 /nfs/dbraw/zinc/00/45/20/468004520.db2.gz WTPVKYGWFZQKLC-NEPJUHHUSA-N 1 0 347.371 2.022 20 5 EEBDRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000519517409 468164103 /nfs/dbraw/zinc/16/41/03/468164103.db2.gz DFIFTXXKEQEMPY-RHSMWYFYSA-N 1 0 349.431 2.051 20 5 EEBDRO COc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197839 468509583 /nfs/dbraw/zinc/50/95/83/468509583.db2.gz QPOIRESVUYXPIR-KGLIPLIRSA-N 1 0 333.388 2.350 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600271917 468516555 /nfs/dbraw/zinc/51/65/55/468516555.db2.gz KUGBZSUOSZYNBN-CQSZACIVSA-N 1 0 340.383 2.481 20 5 EEBDRO [NH3+]C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600729078 468638250 /nfs/dbraw/zinc/63/82/50/468638250.db2.gz WORKWQHANTYVFS-RYUDHWBXSA-N 1 0 347.337 2.433 20 5 EEBDRO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000592217933 468658426 /nfs/dbraw/zinc/65/84/26/468658426.db2.gz ZQISHCZESCLLAO-SFHVURJKSA-N 1 0 337.379 2.367 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000592219066 468658470 /nfs/dbraw/zinc/65/84/70/468658470.db2.gz FVGVMEXNLNIUOD-UHFFFAOYSA-N 1 0 342.399 2.438 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592256344 468665918 /nfs/dbraw/zinc/66/59/18/468665918.db2.gz YCXDVWZUWUYGOR-LSDHHAIUSA-N 1 0 347.415 2.455 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]2C1 ZINC000601185710 468775616 /nfs/dbraw/zinc/77/56/16/468775616.db2.gz ZHNDDUSRJZHXOX-ZJUUUORDSA-N 1 0 330.310 2.397 20 5 EEBDRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595227258 468788784 /nfs/dbraw/zinc/78/87/84/468788784.db2.gz BJLSJAVCPOMUGB-UHFFFAOYSA-N 1 0 342.302 2.151 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221858 468796804 /nfs/dbraw/zinc/79/68/04/468796804.db2.gz XRZIOWCINJWCHI-GFCCVEGCSA-N 1 0 332.404 2.314 20 5 EEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000595267573 468797160 /nfs/dbraw/zinc/79/71/60/468797160.db2.gz FMIZRZVAWHAXJC-CHWSQXEVSA-N 1 0 333.319 2.202 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1O ZINC000601306639 468819587 /nfs/dbraw/zinc/81/95/87/468819587.db2.gz NOVWNOCBQIOIGB-YRGRVCCFSA-N 1 0 326.418 2.205 20 5 EEBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000584227381 468824027 /nfs/dbraw/zinc/82/40/27/468824027.db2.gz OQCPPVLQIVVJPC-UNEWFSDZSA-N 1 0 338.404 2.128 20 5 EEBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000595450515 468857756 /nfs/dbraw/zinc/85/77/56/468857756.db2.gz OCKAPSOPLBSICR-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000595480425 468870776 /nfs/dbraw/zinc/87/07/76/468870776.db2.gz JSCIQZVELGYFLU-GASCZTMLSA-N 1 0 335.452 2.406 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101227 468872175 /nfs/dbraw/zinc/87/21/75/468872175.db2.gz NSVKHWUWWUFLIS-DZGCQCFKSA-N 1 0 335.379 2.219 20 5 EEBDRO COC(=O)c1ccnc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000598589912 468925686 /nfs/dbraw/zinc/92/56/86/468925686.db2.gz MVZHTVRLWHMKLP-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598596651 468927251 /nfs/dbraw/zinc/92/72/51/468927251.db2.gz RHFUJGZQXUVNTA-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cn1ccnc1[C@H](NCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593321888 468937913 /nfs/dbraw/zinc/93/79/13/468937913.db2.gz JGXRPZNMVUYDFJ-QGZVFWFLSA-N 1 0 343.431 2.397 20 5 EEBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595671132 468947345 /nfs/dbraw/zinc/94/73/45/468947345.db2.gz NRXPWXNFBJYZQQ-BLLLJJGKSA-N 1 0 336.388 2.444 20 5 EEBDRO COC(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602622344 468969745 /nfs/dbraw/zinc/96/97/45/468969745.db2.gz GRTKLGLORUIIAH-UHFFFAOYSA-N 1 0 349.206 2.462 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCN(CC(F)F)C3)nc2c1 ZINC000602697033 469018027 /nfs/dbraw/zinc/01/80/27/469018027.db2.gz SQUHQDYTNSDRAF-SECBINFHSA-N 1 0 326.303 2.165 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000610719179 469048993 /nfs/dbraw/zinc/04/89/93/469048993.db2.gz KEBPKLUZTHOKOY-AWEZNQCLSA-N 1 0 349.435 2.180 20 5 EEBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)CO ZINC000595872626 469055397 /nfs/dbraw/zinc/05/53/97/469055397.db2.gz KEQKEQWTTMBMCF-ZBEGNZNMSA-N 1 0 332.360 2.095 20 5 EEBDRO CCc1ccnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573237936 469089602 /nfs/dbraw/zinc/08/96/02/469089602.db2.gz GFQNFPOFRYJTMW-OAHLLOKOSA-N 1 0 331.372 2.082 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Cc1ccccc1 ZINC000596056054 469130655 /nfs/dbraw/zinc/13/06/55/469130655.db2.gz VTUDHSJQDZQXCL-OAHLLOKOSA-N 1 0 342.399 2.279 20 5 EEBDRO C[N@@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000596227249 469213034 /nfs/dbraw/zinc/21/30/34/469213034.db2.gz TYPCRHWKYSXUHG-CQSZACIVSA-N 1 0 328.372 2.059 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C3(CCCCC3)C2)n1 ZINC000596251125 469221679 /nfs/dbraw/zinc/22/16/79/469221679.db2.gz OFMZJNGDJGPFRH-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084850 469255474 /nfs/dbraw/zinc/25/54/74/469255474.db2.gz WJXHYCHPTVQXOX-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[C@@H](CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000596427197 469261983 /nfs/dbraw/zinc/26/19/83/469261983.db2.gz BDYFZCIWARUADK-AWEZNQCLSA-N 1 0 336.436 2.179 20 5 EEBDRO O=[N+]([O-])c1ncccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000611540031 469275103 /nfs/dbraw/zinc/27/51/03/469275103.db2.gz XWVSFXYSTYDZGK-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000602454839 469323339 /nfs/dbraw/zinc/32/33/39/469323339.db2.gz RCQSFNOOAFVHJK-SFHVURJKSA-N 1 0 349.431 2.158 20 5 EEBDRO C[C@H]1CN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602544497 469355594 /nfs/dbraw/zinc/35/55/94/469355594.db2.gz KBBIZFDAIKUUPL-NSHDSACASA-N 1 0 347.337 2.424 20 5 EEBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567379 469363706 /nfs/dbraw/zinc/36/37/06/469363706.db2.gz CHZJXDGSLGWVQN-SUMWQHHRSA-N 1 0 345.447 2.031 20 5 EEBDRO C[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602582031 469371171 /nfs/dbraw/zinc/37/11/71/469371171.db2.gz MMIVSYJKVIBGQY-KBPBESRZSA-N 1 0 334.420 2.363 20 5 EEBDRO CO[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602583950 469371417 /nfs/dbraw/zinc/37/14/17/469371417.db2.gz WGUCACDXXPFPAL-BBRMVZONSA-N 1 0 334.420 2.363 20 5 EEBDRO COc1cc(CN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000613380872 469699747 /nfs/dbraw/zinc/69/97/47/469699747.db2.gz VFAORMJUBQQVTI-UHFFFAOYSA-N 1 0 346.362 2.460 20 5 EEBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690155 469760126 /nfs/dbraw/zinc/76/01/26/469760126.db2.gz WYYCPDKBUPCZAW-CQSZACIVSA-N 1 0 340.383 2.442 20 5 EEBDRO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610024464 469975761 /nfs/dbraw/zinc/97/57/61/469975761.db2.gz OTIIKANNYRRDRR-CYBMUJFWSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610422044 470013536 /nfs/dbraw/zinc/01/35/36/470013536.db2.gz PTRADACYLAAYNY-WQGACYEGSA-N 1 0 343.387 2.173 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602538200 485640645 /nfs/dbraw/zinc/64/06/45/485640645.db2.gz AGVRULITKXDGMN-LDYMZIIASA-N 1 0 349.284 2.333 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000430596300 485703878 /nfs/dbraw/zinc/70/38/78/485703878.db2.gz ZYPPDWOJFSFKEG-MJBXVCDLSA-N 1 0 332.404 2.057 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000433238188 517513969 /nfs/dbraw/zinc/51/39/69/517513969.db2.gz DVNMEGVTVWNJKL-HNNXBMFYSA-N 1 0 343.387 2.060 20 5 EEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000187436227 534332651 /nfs/dbraw/zinc/33/26/51/534332651.db2.gz DIODIEDAAJOQSF-UHFFFAOYSA-N 1 0 342.783 2.092 20 5 EEBDRO [NH3+]CCC[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000415388882 534619005 /nfs/dbraw/zinc/61/90/05/534619005.db2.gz SAALNFCTEFWWDB-CYBMUJFWSA-N 1 0 329.360 2.013 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000179604084 527294265 /nfs/dbraw/zinc/29/42/65/527294265.db2.gz PAZCTFFHCCOIOY-MRXNPFEDSA-N 1 0 349.431 2.303 20 5 EEBDRO CCC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000179507121 527766140 /nfs/dbraw/zinc/76/61/40/527766140.db2.gz YSUZLDXQIKCCAW-UHFFFAOYSA-N 1 0 336.388 2.446 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415667179 528613812 /nfs/dbraw/zinc/61/38/12/528613812.db2.gz XVIDOHZRNNHNEQ-RYUDHWBXSA-N 1 0 336.392 2.442 20 5 EEBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000451408408 535248894 /nfs/dbraw/zinc/24/88/94/535248894.db2.gz ZCGMYYISXDLTJU-UHFFFAOYSA-N 1 0 345.403 2.426 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459778142 535947118 /nfs/dbraw/zinc/94/71/18/535947118.db2.gz PGIZZTSACMDKBZ-ZBINZKHDSA-N 1 0 337.376 2.088 20 5 EEBDRO COCCOC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773029361 577311432 /nfs/dbraw/zinc/31/14/32/577311432.db2.gz YNKFJVLRAJJLOT-CQSZACIVSA-N 1 0 337.420 2.205 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000776592284 577463689 /nfs/dbraw/zinc/46/36/89/577463689.db2.gz WIQDVQURSBJGGR-ROUUACIJSA-N 1 0 328.368 2.220 20 5 EEBDRO C[C@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764889974 577490298 /nfs/dbraw/zinc/49/02/98/577490298.db2.gz RJDUVVKOQLOHGM-CQSZACIVSA-N 1 0 329.404 2.438 20 5 EEBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000763069267 577714194 /nfs/dbraw/zinc/71/41/94/577714194.db2.gz UMTYBMUZFAGPFG-QMTHXVAHSA-N 1 0 332.360 2.456 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823645982 606218902 /nfs/dbraw/zinc/21/89/02/606218902.db2.gz YXOLSOHNNVVCOD-UHFFFAOYSA-N 1 0 346.372 2.005 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000050900032 676487459 /nfs/dbraw/zinc/48/74/59/676487459.db2.gz MKCNCENZINYTPB-AWEZNQCLSA-N 1 0 345.403 2.140 20 5 EEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000933248263 676527272 /nfs/dbraw/zinc/52/72/72/676527272.db2.gz LLUOZNPEBXYRCC-KRWDZBQOSA-N 1 0 348.447 2.220 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001021929634 676551385 /nfs/dbraw/zinc/55/13/85/676551385.db2.gz PVROFGSXGGCVPX-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000891750313 676815652 /nfs/dbraw/zinc/81/56/52/676815652.db2.gz IIJDJCVKKOXQRF-WDEREUQCSA-N 1 0 342.346 2.200 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000891848666 676864432 /nfs/dbraw/zinc/86/44/32/676864432.db2.gz KICBEKHVERNDSR-YOWGUQMCSA-N 1 0 332.404 2.233 20 5 EEBDRO CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001023093298 679121949 /nfs/dbraw/zinc/12/19/49/679121949.db2.gz SZFGSGFFPLMPIA-GASCZTMLSA-N 1 0 342.399 2.467 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000262321069 685345383 /nfs/dbraw/zinc/34/53/83/685345383.db2.gz QZPLZCVUJFCEOX-GFCCVEGCSA-N 1 0 349.840 2.208 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)co1 ZINC001025755533 683264961 /nfs/dbraw/zinc/26/49/61/683264961.db2.gz YWGFQYUCCMXBBF-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000119662006 683572295 /nfs/dbraw/zinc/57/22/95/683572295.db2.gz KTAMHKPSHYWJSG-LLVKDONJSA-N 1 0 347.462 2.055 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264534 684386187 /nfs/dbraw/zinc/38/61/87/684386187.db2.gz FUFKGLBZGZQHDA-JKSUJKDBSA-N 1 0 332.404 2.015 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000895278488 684431893 /nfs/dbraw/zinc/43/18/93/684431893.db2.gz KTUNTLDZYKKCBQ-LLVKDONJSA-N 1 0 332.385 2.402 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000893361253 684904513 /nfs/dbraw/zinc/90/45/13/684904513.db2.gz JTJNSDXLMWCKQH-JSGCOSHPSA-N 1 0 330.388 2.341 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCn3cccn3)CC2)cc1 ZINC000127163093 686546697 /nfs/dbraw/zinc/54/66/97/686546697.db2.gz JVEDETQFCPUBEX-UHFFFAOYSA-N 1 0 329.404 2.440 20 5 EEBDRO Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000985427497 686678926 /nfs/dbraw/zinc/67/89/26/686678926.db2.gz ZKJDCVJCSNTERV-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000897353635 687385571 /nfs/dbraw/zinc/38/55/71/687385571.db2.gz LTTVBCCIJZZYOS-LBPRGKRZSA-N 1 0 342.399 2.354 20 5 EEBDRO CSCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989900793 692443851 /nfs/dbraw/zinc/44/38/51/692443851.db2.gz OXKMLRUIABNRII-UHFFFAOYSA-N 1 0 329.447 2.100 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898842747 693489545 /nfs/dbraw/zinc/48/95/45/693489545.db2.gz XULJSCXEJXVNCK-LSDHHAIUSA-N 1 0 333.388 2.206 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351948005 1194332148 /nfs/dbraw/zinc/33/21/48/1194332148.db2.gz BYLMMDUQFSRHQL-DYVFJYSZSA-N 1 0 335.404 2.262 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001005381377 1195313707 /nfs/dbraw/zinc/31/37/07/1195313707.db2.gz JWXUUSPUIKUHJQ-NVXWUHKLSA-N 1 0 349.406 2.222 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(C)C ZINC000825688762 1198674162 /nfs/dbraw/zinc/67/41/62/1198674162.db2.gz VLNZWYXUFGFLGD-UHFFFAOYSA-N 1 0 340.399 2.260 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccn1 ZINC000875054067 1199123507 /nfs/dbraw/zinc/12/35/07/1199123507.db2.gz GZKVZGCWCUARCS-UHFFFAOYSA-N 1 0 348.334 2.322 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2c1OCC2 ZINC001134204917 1199384731 /nfs/dbraw/zinc/38/47/31/1199384731.db2.gz JZOAKCWKEKRQDE-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000810847705 1199777517 /nfs/dbraw/zinc/77/75/17/1199777517.db2.gz PTQXRBPCCNSZKA-QWRGUYRKSA-N 1 0 334.328 2.107 20 5 EEBDRO CCc1ccc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877332570 1199905181 /nfs/dbraw/zinc/90/51/81/1199905181.db2.gz DEPUDEHSFSOOEZ-HNNXBMFYSA-N 1 0 347.415 2.046 20 5 EEBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000878328645 1200398747 /nfs/dbraw/zinc/39/87/47/1200398747.db2.gz LESANGDKKFPBSB-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO Cc1ccc(CN2CCC(CO)([NH2+]CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000878670951 1200611634 /nfs/dbraw/zinc/61/16/34/1200611634.db2.gz VDIOLOFSNLCPIN-UHFFFAOYSA-N 1 0 335.448 2.476 20 5 EEBDRO C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000795118840 1200641257 /nfs/dbraw/zinc/64/12/57/1200641257.db2.gz AMTDJFAXRMDFNE-KBXCAEBGSA-N 1 0 333.432 2.434 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812342544 1200670624 /nfs/dbraw/zinc/67/06/24/1200670624.db2.gz LPWDRODZMXDNMR-KGLIPLIRSA-N 1 0 344.415 2.193 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880209476 1201422659 /nfs/dbraw/zinc/42/26/59/1201422659.db2.gz UUOCSDXPXOIUPZ-MRXNPFEDSA-N 1 0 349.431 2.207 20 5 EEBDRO [NH3+]C1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000135273210 1202345346 /nfs/dbraw/zinc/34/53/46/1202345346.db2.gz MDTNBFQIPFRIKH-UHFFFAOYSA-N 1 0 342.193 2.357 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095361322 1204180799 /nfs/dbraw/zinc/18/07/99/1204180799.db2.gz BVFJGCUGKUVDFT-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001095574756 1205878374 /nfs/dbraw/zinc/87/83/74/1205878374.db2.gz MUBMKYLMBJCNDS-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095599419 1205886473 /nfs/dbraw/zinc/88/64/73/1205886473.db2.gz BATLLMZXKNLNAN-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C3(C[NH+](C)C)CC3)n2)c1 ZINC000924016714 1205930659 /nfs/dbraw/zinc/93/06/59/1205930659.db2.gz PQHBIHCAJZEVGJ-UHFFFAOYSA-N 1 0 332.360 2.170 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000927704623 1206293127 /nfs/dbraw/zinc/29/31/27/1206293127.db2.gz HOUFFERZIMCTLP-UHFFFAOYSA-N 1 0 328.372 2.305 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCO[C@@H](C)C1 ZINC000931057457 1206603560 /nfs/dbraw/zinc/60/35/60/1206603560.db2.gz NPDYXBHJCRDNMG-ZDUSSCGKSA-N 1 0 336.392 2.054 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778899369 1208395156 /nfs/dbraw/zinc/39/51/56/1208395156.db2.gz NTRDKXWKIWSHFA-LBPRGKRZSA-N 1 0 336.344 2.355 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000076293426 1209160457 /nfs/dbraw/zinc/16/04/57/1209160457.db2.gz IAHULEDQAYYXSB-AWEZNQCLSA-N 1 0 336.388 2.449 20 5 EEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001045436159 1233744125 /nfs/dbraw/zinc/74/41/25/1233744125.db2.gz KRSKPIPOVUAUOF-LVXHKSIOSA-N 1 0 343.427 2.336 20 5 EEBDRO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048648825 1238186288 /nfs/dbraw/zinc/18/62/88/1238186288.db2.gz ZPTDRXQKVDNUDY-GASCZTMLSA-N 1 0 341.367 2.392 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001048814713 1238720417 /nfs/dbraw/zinc/72/04/17/1238720417.db2.gz ZICFVVKISSZNRF-YYIAUSFCSA-N 1 0 335.448 2.012 20 5 EEBDRO O=C(NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccon1 ZINC001000463674 1240361336 /nfs/dbraw/zinc/36/13/36/1240361336.db2.gz STEPNXQPKJEKAZ-UHFFFAOYSA-N 1 0 342.355 2.145 20 5 EEBDRO Cc1cnc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097053277 1243631000 /nfs/dbraw/zinc/63/10/00/1243631000.db2.gz OQVJIJVULXFAAO-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CCCN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001101226599 1245541647 /nfs/dbraw/zinc/54/16/47/1245541647.db2.gz WPTMHROGBDRKQU-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580942 1278145294 /nfs/dbraw/zinc/14/52/94/1278145294.db2.gz UHLGNJCTKJQERA-UBHSHLNASA-N 1 0 334.420 2.475 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104870245 1285514973 /nfs/dbraw/zinc/51/49/73/1285514973.db2.gz GNXQMKYZBRFXJC-UHFFFAOYSA-N 1 0 334.420 2.336 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342948 1321101913 /nfs/dbraw/zinc/10/19/13/1321101913.db2.gz MQJDOBMDRZHKFH-NRUUGDAUSA-N 1 0 327.768 2.106 20 5 EEBDRO CC(C)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072382525 1295587556 /nfs/dbraw/zinc/58/75/56/1295587556.db2.gz LPLSIXUEGPJWTH-UHFFFAOYSA-N 1 0 335.379 2.377 20 5 EEBDRO CC(=O)N(C)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000863573735 1296341268 /nfs/dbraw/zinc/34/12/68/1296341268.db2.gz SWFGFSOPXKNGDD-SFHVURJKSA-N 1 0 343.383 2.401 20 5 EEBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886843088 1296776621 /nfs/dbraw/zinc/77/66/21/1296776621.db2.gz OLKVVQZOVCXJHH-MRXNPFEDSA-N 1 0 328.372 2.145 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218039311 1297554899 /nfs/dbraw/zinc/55/48/99/1297554899.db2.gz FXWJRVUOUCFCSG-VXNVDRBHSA-N 1 0 348.140 2.329 20 5 EEBDRO O=[N+]([O-])c1ccc(I)cc1O[C@H]1CCC[NH2+]C1 ZINC001218284297 1297623630 /nfs/dbraw/zinc/62/36/30/1297623630.db2.gz USJNWXRJUHDVKW-VIFPVBQESA-N 1 0 348.140 2.330 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1cn[nH]n1 ZINC001220329306 1298361527 /nfs/dbraw/zinc/36/15/27/1298361527.db2.gz LRPBIFOWBQOBQE-IBGZPJMESA-N 1 0 345.406 2.297 20 5 EEBDRO Cc1nc(NCCN(C)C(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001101643512 1299715198 /nfs/dbraw/zinc/71/51/98/1299715198.db2.gz LWSPNXDRDGDLKS-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3C)C[C@H]1[N@@H+]2C ZINC001225690175 1301125739 /nfs/dbraw/zinc/12/57/39/1301125739.db2.gz SMGWLACNXJZGPD-YOKBYHGQSA-N 1 0 334.372 2.449 20 5 EEBDRO CCOC(=O)c1cnc(C(F)(F)F)nc1O[C@H](C)C[N+](C)(C)C ZINC001226275591 1301331588 /nfs/dbraw/zinc/33/15/88/1301331588.db2.gz SPFAUMACBLTOFW-SECBINFHSA-N 1 0 336.334 2.146 20 5 EEBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733024 1301532268 /nfs/dbraw/zinc/53/22/68/1301532268.db2.gz FBVYCVYNIWWEQS-OCCSQVGLSA-N 1 0 329.360 2.384 20 5 EEBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001227124957 1301699646 /nfs/dbraw/zinc/69/96/46/1301699646.db2.gz ULOAUMWPQNRABU-JJLQDPRZSA-N 1 0 334.372 2.491 20 5 EEBDRO Cc1[nH]c(=O)cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001228686689 1302381360 /nfs/dbraw/zinc/38/13/60/1302381360.db2.gz QNQKHGUGIVXWTQ-GFCCVEGCSA-N 1 0 337.376 2.026 20 5 EEBDRO COC(=O)c1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001229942709 1302993452 /nfs/dbraw/zinc/99/34/52/1302993452.db2.gz PSNLZLFDLJXXOC-SNVBAGLBSA-N 1 0 326.324 2.382 20 5 EEBDRO COc1c(OC(C)=O)ccc2c(O[C@@H](C)C[N+](C)(C)C)ncnc21 ZINC001231192628 1303676493 /nfs/dbraw/zinc/67/64/93/1303676493.db2.gz HOVAUVZRCYMFSG-NSHDSACASA-N 1 0 334.396 2.037 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233507602 1304489515 /nfs/dbraw/zinc/48/95/15/1304489515.db2.gz ZCHZGYHPZQGUSC-SECBINFHSA-N 1 0 340.767 2.224 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccnc1OCc1ccccc1 ZINC001233607919 1304531364 /nfs/dbraw/zinc/53/13/64/1304531364.db2.gz ZWMXUIWJIGSKOB-MRXNPFEDSA-N 1 0 345.419 2.023 20 5 EEBDRO Cn1cccc1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234027314 1304693032 /nfs/dbraw/zinc/69/30/32/1304693032.db2.gz GBJNUNCWEWOAMU-UHFFFAOYSA-N 1 0 330.388 2.185 20 5 EEBDRO COC(=O)c1nc(-c2ccccc2)[nH]c(=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001234555480 1304966391 /nfs/dbraw/zinc/96/63/91/1304966391.db2.gz VDHFOPSVHWRWBF-LBPRGKRZSA-O 1 0 346.407 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000799336525 1305230396 /nfs/dbraw/zinc/23/03/96/1305230396.db2.gz NNTRUPOBHUXDJU-OALUTQOASA-N 1 0 342.395 2.442 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117749713 1306161277 /nfs/dbraw/zinc/16/12/77/1306161277.db2.gz ACYWORWTGLDRRP-CHWSQXEVSA-N 1 0 334.420 2.476 20 5 EEBDRO CSCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120576644 1309620875 /nfs/dbraw/zinc/62/08/75/1309620875.db2.gz MADFDCJRTDMHBJ-UHFFFAOYSA-N 1 0 349.456 2.475 20 5 EEBDRO C[C@]1([NH3+])CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246527019 1310332033 /nfs/dbraw/zinc/33/20/33/1310332033.db2.gz CWTMVIXTDICBTA-INIZCTEOSA-N 1 0 340.374 2.265 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@]23CCC[NH2+]CC3)n1 ZINC001247930623 1310788147 /nfs/dbraw/zinc/78/81/47/1310788147.db2.gz WRAWDEZIAAYRDG-BONVTDFDSA-N 1 0 333.323 2.426 20 5 EEBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160759774 1320259617 /nfs/dbraw/zinc/25/96/17/1320259617.db2.gz NYRXTYAZVQBTMZ-UHFFFAOYSA-N 1 0 343.299 2.309 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000834296438 1314817285 /nfs/dbraw/zinc/81/72/85/1314817285.db2.gz YJPHTQDNYLNVTJ-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000839672803 1315230071 /nfs/dbraw/zinc/23/00/71/1315230071.db2.gz ZVYWZYFMUGLFSV-NUEKZKHPSA-N 1 0 331.416 2.431 20 5 EEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839676220 1315230983 /nfs/dbraw/zinc/23/09/83/1315230983.db2.gz WJBDUEVJVMMCPO-NWDGAFQWSA-N 1 0 339.367 2.155 20 5 EEBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840438787 1315363225 /nfs/dbraw/zinc/36/32/25/1315363225.db2.gz FNOZFUXPZDKZPA-RHSMWYFYSA-N 1 0 346.431 2.068 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161061 1315492926 /nfs/dbraw/zinc/49/29/26/1315492926.db2.gz IOPFUZICOGUAFT-UHFFFAOYSA-N 1 0 343.181 2.231 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000841856546 1315624718 /nfs/dbraw/zinc/62/47/18/1315624718.db2.gz RYHXIOMYNZDBQN-HNNXBMFYSA-N 1 0 338.795 2.143 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000843100621 1315841703 /nfs/dbraw/zinc/84/17/03/1315841703.db2.gz DUSMREFALAPCMC-MZPVMMEZSA-N 1 0 334.347 2.479 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000843118558 1315847485 /nfs/dbraw/zinc/84/74/85/1315847485.db2.gz MIRGNTQKGUYXRZ-GUDVDZBRSA-N 1 0 342.395 2.384 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000843502506 1315925135 /nfs/dbraw/zinc/92/51/35/1315925135.db2.gz DMCCMFRASVMXQP-CHWSQXEVSA-N 1 0 334.420 2.441 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1[nH]nc2ccccc21 ZINC001149674891 1316012486 /nfs/dbraw/zinc/01/24/86/1316012486.db2.gz LRJIRVISQHWHBM-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO Cc1ccnc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001154848690 1317349718 /nfs/dbraw/zinc/34/97/18/1317349718.db2.gz ZNYDTAKHVQEGDC-UHFFFAOYSA-N 1 0 327.266 2.148 20 5 EEBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155254936 1317525703 /nfs/dbraw/zinc/52/57/03/1317525703.db2.gz PJZNYMFRZMYOEV-QMMMGPOBSA-N 1 0 333.735 2.240 20 5 EEBDRO Cc1cc(Cl)nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155616221 1317675254 /nfs/dbraw/zinc/67/52/54/1317675254.db2.gz CCIPTYSKOIBMSV-QMTHXVAHSA-N 1 0 326.784 2.275 20 5 EEBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155641825 1317685087 /nfs/dbraw/zinc/68/50/87/1317685087.db2.gz DJJWWNHMLZHFAM-LYSGOOTNSA-N 1 0 334.763 2.338 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001155843298 1317760712 /nfs/dbraw/zinc/76/07/12/1317760712.db2.gz UZXNTJGCSYPFNG-UHFFFAOYSA-N 1 0 338.364 2.100 20 5 EEBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001156125155 1317887759 /nfs/dbraw/zinc/88/77/59/1317887759.db2.gz IXPSVLXQVCCCGY-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)[C@H](F)CC3)CC2)cc1 ZINC001254474098 1318082447 /nfs/dbraw/zinc/08/24/47/1318082447.db2.gz LSMPZDUVYSHBFS-IAGOWNOFSA-N 1 0 337.395 2.358 20 5 EEBDRO COc1ncnc(OC)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254536223 1318114289 /nfs/dbraw/zinc/11/42/89/1318114289.db2.gz ARRSHXBJTYZHGY-NSHDSACASA-N 1 0 332.360 2.123 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(OC)n1 ZINC001254584582 1318133454 /nfs/dbraw/zinc/13/34/54/1318133454.db2.gz HVWPRGZEGMKQCX-CQSZACIVSA-N 1 0 329.356 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3ncccn3)C1)C2 ZINC001254606585 1318142351 /nfs/dbraw/zinc/14/23/51/1318142351.db2.gz GRUNVOFYSKVLSS-CVEARBPZSA-N 1 0 326.356 2.005 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC3(C)COC3)CC2)ccc1[N+](=O)[O-] ZINC001256083488 1318641981 /nfs/dbraw/zinc/64/19/81/1318641981.db2.gz QLNHZWWOHBKVEL-UHFFFAOYSA-N 1 0 335.404 2.198 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001157895570 1318920741 /nfs/dbraw/zinc/92/07/41/1318920741.db2.gz GWBMYHYZSNOXMJ-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270587 1319130709 /nfs/dbraw/zinc/13/07/09/1319130709.db2.gz VYKXWWQMNWASCT-CQSZACIVSA-N 1 0 341.415 2.145 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCc2coc3ccccc23)nc1C1C[NH2+]C1 ZINC001158662227 1319361960 /nfs/dbraw/zinc/36/19/60/1319361960.db2.gz UIFDWFXDRIZPAP-UHFFFAOYSA-N 1 0 339.355 2.472 20 5 EEBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC(C)(C)O1 ZINC001159322837 1319736652 /nfs/dbraw/zinc/73/66/52/1319736652.db2.gz GGBDGXZLTAWXCN-UHFFFAOYSA-N 1 0 335.408 2.220 20 5 EEBDRO Nc1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160058233 1320059466 /nfs/dbraw/zinc/05/94/66/1320059466.db2.gz XROLUWWIYTUYAN-UHFFFAOYSA-N 1 0 331.351 2.469 20 5 EEBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2CN2CC[NH2+]CC2)c1 ZINC001160296907 1320126458 /nfs/dbraw/zinc/12/64/58/1320126458.db2.gz MDSWOUBMKUIGLV-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO COC(=O)c1ccnc(N2CCC([NH3+])(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161571211 1320542788 /nfs/dbraw/zinc/54/27/88/1320542788.db2.gz APHWSPSXLMJAPH-UHFFFAOYSA-N 1 0 348.403 2.264 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988632 1320709320 /nfs/dbraw/zinc/70/93/20/1320709320.db2.gz OIHMYLCRANPBLW-UHFFFAOYSA-N 1 0 345.378 2.252 20 5 EEBDRO COc1ccnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163049399 1321023556 /nfs/dbraw/zinc/02/35/56/1321023556.db2.gz GGOOQZDCKOVEBY-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC001163169882 1321057419 /nfs/dbraw/zinc/05/74/19/1321057419.db2.gz AAYWRCFFDOCVOX-HLUHBDAQSA-N 1 0 346.309 2.045 20 5 EEBDRO Cc1nc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165081557 1321451915 /nfs/dbraw/zinc/45/19/15/1321451915.db2.gz LKFJZLLAAHZWAL-RDJZCZTQSA-N 1 0 339.399 2.404 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279351 1321491564 /nfs/dbraw/zinc/49/15/64/1321491564.db2.gz TYTQEDIFNRBMAX-LBPRGKRZSA-N 1 0 336.392 2.229 20 5 EEBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001262041556 1322225686 /nfs/dbraw/zinc/22/56/86/1322225686.db2.gz BOTZRTKOPHLQSK-KRWDZBQOSA-N 1 0 341.367 2.390 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001262559702 1322322776 /nfs/dbraw/zinc/32/27/76/1322322776.db2.gz UFUHZLSFNMZUIQ-LLVKDONJSA-N 1 0 328.210 2.142 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+](C)CCOC)cc1C ZINC001306953426 1331502319 /nfs/dbraw/zinc/50/23/19/1331502319.db2.gz NDEXNUKLNMEDRR-UHFFFAOYSA-N 1 0 339.392 2.070 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ncco2)CC1 ZINC001307991490 1331558134 /nfs/dbraw/zinc/55/81/34/1331558134.db2.gz ZVYABYRDSIBCOR-CQSZACIVSA-N 1 0 347.371 2.202 20 5 EEBDRO NC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001308141214 1331567284 /nfs/dbraw/zinc/56/72/84/1331567284.db2.gz HYBFKEXZZQZBJT-UHFFFAOYSA-N 1 0 348.403 2.091 20 5 EEBDRO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001308526601 1331596303 /nfs/dbraw/zinc/59/63/03/1331596303.db2.gz VPWUVYDPYBFBMU-OAHLLOKOSA-N 1 0 338.404 2.409 20 5 EEBDRO CC(C)(CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C[NH+]1CCCC1 ZINC001609084097 1351835066 /nfs/dbraw/zinc/83/50/66/1351835066.db2.gz HLBABGCZWUDJCZ-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001326031957 1334016827 /nfs/dbraw/zinc/01/68/27/1334016827.db2.gz WQXAKDDWQXZNEL-CHWSQXEVSA-N 1 0 332.404 2.098 20 5 EEBDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001609326024 1351934153 /nfs/dbraw/zinc/93/41/53/1351934153.db2.gz PYCGJOPPMAUICC-UHFFFAOYSA-N 1 0 346.391 2.166 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC001329593798 1334681314 /nfs/dbraw/zinc/68/13/14/1334681314.db2.gz CXAPDVGPGJTXOV-LBPRGKRZSA-N 1 0 336.348 2.026 20 5 EEBDRO [NH3+]CCN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001331362462 1335002458 /nfs/dbraw/zinc/00/24/58/1335002458.db2.gz XVDLWPNGOAMPBM-UHFFFAOYSA-N 1 0 339.701 2.140 20 5 EEBDRO CCOC(=O)Cc1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001332081180 1335722112 /nfs/dbraw/zinc/72/21/12/1335722112.db2.gz ZLJMTYIMCLTTRH-CQSZACIVSA-N 1 0 335.404 2.231 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001335932993 1336450866 /nfs/dbraw/zinc/45/08/66/1336450866.db2.gz BMXMQXKIULBBEQ-CQSZACIVSA-N 1 0 349.362 2.175 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@@H]1C ZINC000848485762 1338707440 /nfs/dbraw/zinc/70/74/40/1338707440.db2.gz WJDRADVDLJNWDG-TZMCWYRMSA-N 1 0 344.371 2.299 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116994 1343968616 /nfs/dbraw/zinc/96/86/16/1343968616.db2.gz CZIXPPVMYVYRGB-VXGBXAGGSA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)C[C@@H]1[NH3+] ZINC001576819658 1344065903 /nfs/dbraw/zinc/06/59/03/1344065903.db2.gz PXWGZKQKNRLNRQ-ABAIWWIYSA-N 1 0 342.403 2.047 20 5 EEBDRO COc1ccccc1CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579306455 1344369153 /nfs/dbraw/zinc/36/91/53/1344369153.db2.gz QXBJNWDUCWEQEI-SFHVURJKSA-N 1 0 343.383 2.136 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC001593481755 1349812694 /nfs/dbraw/zinc/81/26/94/1349812694.db2.gz KDMQIJUMBHQZKZ-QIMFLAQGSA-N 1 0 328.376 2.443 20 5 EEBDRO Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000823921504 1368096261 /nfs/dbraw/zinc/09/62/61/1368096261.db2.gz VSRYVVLXBOCGDO-KGLIPLIRSA-N 1 0 333.392 2.315 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000852713557 1369296241 /nfs/dbraw/zinc/29/62/41/1369296241.db2.gz KHDYJCFBPXCBJZ-CVEARBPZSA-N 1 0 338.310 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H](CO)C[NH+]3CCCCC3)sc2c1 ZINC000828167010 1372239305 /nfs/dbraw/zinc/23/93/05/1372239305.db2.gz PACULEKHZYLQAO-LLVKDONJSA-N 1 0 336.417 2.463 20 5 EEBDRO CC(C)(C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562884 1372336305 /nfs/dbraw/zinc/33/63/05/1372336305.db2.gz ATPZBUGDOBAOTR-XJKSGUPXSA-N 1 0 349.431 2.242 20 5 EEBDRO CC(C)OCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001752716400 1406360780 /nfs/dbraw/zinc/36/07/80/1406360780.db2.gz UPRNEYRHVDNYNE-GASCZTMLSA-N 1 0 335.404 2.147 20 5 EEBDRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001577236963 1403628255 /nfs/dbraw/zinc/62/82/55/1403628255.db2.gz OBYRQEUKWSFRON-DOMZBBRYSA-N 1 0 344.419 2.437 20 5 EEBDRO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC001580794046 1403870075 /nfs/dbraw/zinc/87/00/75/1403870075.db2.gz QFOQLIRFPDGHCY-ZDUSSCGKSA-N 1 0 341.371 2.313 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000893626013 776273827 /nfs/dbraw/zinc/27/38/27/776273827.db2.gz HRFZGFYSPCBOIL-DVOMOZLQSA-N 1 0 346.431 2.480 20 5 EEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846913795 790750328 /nfs/dbraw/zinc/75/03/28/790750328.db2.gz UTXYMEIUONJZCE-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CC2)CCOCC1 ZINC001131812871 783294907 /nfs/dbraw/zinc/29/49/07/783294907.db2.gz RBJBCPDZVBZQBK-UHFFFAOYSA-N 1 0 347.415 2.007 20 5 EEBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809735289 783318870 /nfs/dbraw/zinc/31/88/70/783318870.db2.gz ZUMVTOXQCMOPGN-UHFFFAOYSA-N 1 0 329.356 2.347 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906790825 784161177 /nfs/dbraw/zinc/16/11/77/784161177.db2.gz JHTKHGIDBHYTMM-BXKDBHETSA-N 1 0 340.811 2.243 20 5 EEBDRO CCCn1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001135710106 784277436 /nfs/dbraw/zinc/27/74/36/784277436.db2.gz TYHRKNNZUCGZIG-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@H]1CCC[N@@H+]1C ZINC000817131826 784527560 /nfs/dbraw/zinc/52/75/60/784527560.db2.gz RDDHVLGIGKLQSE-LLVKDONJSA-N 1 0 339.367 2.441 20 5 EEBDRO CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCC1 ZINC000907802623 784857367 /nfs/dbraw/zinc/85/73/67/784857367.db2.gz RQCCJRYNSHPUDM-UHFFFAOYSA-N 1 0 349.435 2.219 20 5 EEBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818001670 785118693 /nfs/dbraw/zinc/11/86/93/785118693.db2.gz PTZMBBAYEBXAMR-CYBMUJFWSA-N 1 0 336.348 2.059 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000818613250 785302788 /nfs/dbraw/zinc/30/27/88/785302788.db2.gz KPOBUWRDBRYDQP-ZDUSSCGKSA-N 1 0 340.383 2.191 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000818984233 785350766 /nfs/dbraw/zinc/35/07/66/785350766.db2.gz BGZIHIMJKBYCGG-KRWDZBQOSA-N 1 0 346.383 2.478 20 5 EEBDRO C[C@H](COc1ccccc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818968452 785364234 /nfs/dbraw/zinc/36/42/34/785364234.db2.gz AWBNQSOQZYOWBK-GDBMZVCRSA-N 1 0 346.383 2.392 20 5 EEBDRO CC(C)(C)[S@](=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819055070 785377860 /nfs/dbraw/zinc/37/78/60/785377860.db2.gz CHNIPNGSJQZCRF-HSZRJFAPSA-N 1 0 341.433 2.060 20 5 EEBDRO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137358 785418655 /nfs/dbraw/zinc/41/86/55/785418655.db2.gz BFZCQMMUQMALPK-QMHKHESXSA-N 1 0 334.397 2.155 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173224 785447774 /nfs/dbraw/zinc/44/77/74/785447774.db2.gz KZCSJGNLOGXXFL-PBHICJAKSA-N 1 0 347.415 2.151 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820342680 785879381 /nfs/dbraw/zinc/87/93/81/785879381.db2.gz MXTGRORRZFMLER-RYRKJORJSA-N 1 0 329.400 2.253 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107280923 786701282 /nfs/dbraw/zinc/70/12/82/786701282.db2.gz YBOUYHWFTLTIRI-AATRIKPKSA-N 1 0 334.420 2.329 20 5 EEBDRO O=C(c1cc[nH]c1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996629222 786878721 /nfs/dbraw/zinc/87/87/21/786878721.db2.gz HXILZCOBECSSGC-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790800 787380926 /nfs/dbraw/zinc/38/09/26/787380926.db2.gz LUWGBAJXBADDJF-NWDGAFQWSA-N 1 0 331.376 2.488 20 5 EEBDRO COCC1(c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CC[NH2+]CC1 ZINC000822808732 787400313 /nfs/dbraw/zinc/40/03/13/787400313.db2.gz XPCUYQRDDXSMQX-UHFFFAOYSA-N 1 0 332.360 2.221 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823899862 787973362 /nfs/dbraw/zinc/97/33/62/787973362.db2.gz YRWFOFNZFUHKHB-CZUORRHYSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825129679 788449214 /nfs/dbraw/zinc/44/92/14/788449214.db2.gz ALPVIOFUXBFFAO-VBQJREDUSA-N 1 0 349.431 2.112 20 5 EEBDRO Cc1c[nH]c(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000997080819 788695864 /nfs/dbraw/zinc/69/58/64/788695864.db2.gz VAUGEVDLNPTNLS-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO COc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913294850 788772089 /nfs/dbraw/zinc/77/20/89/788772089.db2.gz POAXMYHEUSGYKZ-CALCHBBNSA-N 1 0 333.388 2.017 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1nccc1[N+](=O)[O-] ZINC000156492044 789122294 /nfs/dbraw/zinc/12/22/94/789122294.db2.gz PGYCKIZBIVBVJH-HNNXBMFYSA-N 1 0 329.404 2.345 20 5 EEBDRO COCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147105431 791703479 /nfs/dbraw/zinc/70/34/79/791703479.db2.gz GYNUNIVDUSIBRC-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CCC3(CCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000172951121 791798302 /nfs/dbraw/zinc/79/83/02/791798302.db2.gz OVTKGOTTWGOOMK-OAHLLOKOSA-N 1 0 343.383 2.493 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC001127235624 792830436 /nfs/dbraw/zinc/83/04/36/792830436.db2.gz YTJBUEVCGGVLKV-UHFFFAOYSA-N 1 0 349.416 2.097 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093671400 795566105 /nfs/dbraw/zinc/56/61/05/795566105.db2.gz WYJJMPKYNCUFEE-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO C[NH+](C)C1(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001094006736 795854073 /nfs/dbraw/zinc/85/40/73/795854073.db2.gz DXZAIBFTFWREIO-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[NH+](C)C1(CC(=O)NCCCNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001094690208 796534166 /nfs/dbraw/zinc/53/41/66/796534166.db2.gz YPPPXQRXKJNRDU-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cn1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1=O ZINC001172902130 797130393 /nfs/dbraw/zinc/13/03/93/797130393.db2.gz VQTKYNVMZHBDBD-INIZCTEOSA-N 1 0 327.384 2.331 20 5 EEBDRO O=C1NCC[C@@]12CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907712 797133100 /nfs/dbraw/zinc/13/31/00/797133100.db2.gz LMVCTBIRMGGHEI-VQIMIIECSA-N 1 0 343.427 2.444 20 5 EEBDRO C[N@H+](CCN1CCOCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909575 797168213 /nfs/dbraw/zinc/16/82/13/797168213.db2.gz SRSPTKURBNKEON-KRWDZBQOSA-N 1 0 333.432 2.106 20 5 EEBDRO [NH3+]Cc1nccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006591 797193941 /nfs/dbraw/zinc/19/39/41/797193941.db2.gz XHTRFTWBQGEELU-UHFFFAOYSA-N 1 0 337.330 2.370 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2OCCO2)c1F ZINC001173183777 797280602 /nfs/dbraw/zinc/28/06/02/797280602.db2.gz DMYGKQDGRXPERF-SNVBAGLBSA-N 1 0 328.340 2.026 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095188104 797498690 /nfs/dbraw/zinc/49/86/90/797498690.db2.gz KEOMHXQWOBWKJN-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095228804 797552767 /nfs/dbraw/zinc/55/27/67/797552767.db2.gz YTQLYNMMSVNXEJ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001095233602 797565361 /nfs/dbraw/zinc/56/53/61/797565361.db2.gz FRCMGESFJMKKHX-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698020 797603710 /nfs/dbraw/zinc/60/37/10/797603710.db2.gz ZIHNIOQOHHKXEK-UHFFFAOYSA-N 1 0 341.433 2.088 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1=CCOCC1 ZINC001002659777 798398052 /nfs/dbraw/zinc/39/80/52/798398052.db2.gz KNQPJDCFZWIAED-UHFFFAOYSA-N 1 0 345.399 2.022 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001128284178 798662232 /nfs/dbraw/zinc/66/22/32/798662232.db2.gz IFEBCOXJTLIZSC-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO COCC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177678886 799071203 /nfs/dbraw/zinc/07/12/03/799071203.db2.gz RNZIARLOLVFFEY-UHFFFAOYSA-N 1 0 329.422 2.069 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624157 801525434 /nfs/dbraw/zinc/52/54/34/801525434.db2.gz OBEJCVRLHTUBRR-HYXAFXHYSA-N 1 0 348.399 2.246 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccns1 ZINC001086099282 802169231 /nfs/dbraw/zinc/16/92/31/802169231.db2.gz UHSTVBMEZYVBAV-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168846604 803480256 /nfs/dbraw/zinc/48/02/56/803480256.db2.gz QMJXEKGADCRBBX-UHFFFAOYSA-N 1 0 340.339 2.487 20 5 EEBDRO CC(=O)Nc1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001168848738 803482259 /nfs/dbraw/zinc/48/22/59/803482259.db2.gz XHZKPJSDCAMJRX-UHFFFAOYSA-N 1 0 325.328 2.351 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964638 803551929 /nfs/dbraw/zinc/55/19/29/803551929.db2.gz UTQNYFCUTFSYHH-MCIONIFRSA-N 1 0 327.425 2.278 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccncc1 ZINC001168998431 803564098 /nfs/dbraw/zinc/56/40/98/803564098.db2.gz NADLWUDOUCZBCQ-DZUCGIPZSA-N 1 0 346.431 2.158 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001169005870 803568057 /nfs/dbraw/zinc/56/80/57/803568057.db2.gz VESYTKLXCKMJFY-YXJHDRRASA-N 1 0 345.443 2.258 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011287 803570871 /nfs/dbraw/zinc/57/08/71/803570871.db2.gz JIITYRFTMFSJRL-QTVXIADOSA-N 1 0 339.436 2.419 20 5 EEBDRO O=C(c1cccc(F)c1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991266 803574539 /nfs/dbraw/zinc/57/45/39/803574539.db2.gz GDCLTKFODZVQOC-CXAGYDPISA-N 1 0 349.406 2.465 20 5 EEBDRO CCn1ncc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001169032063 803577726 /nfs/dbraw/zinc/57/77/26/803577726.db2.gz DRPXKKVVCHHCSP-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO O=C1CCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001169020319 803587800 /nfs/dbraw/zinc/58/78/00/803587800.db2.gz LBBKPQHEROJFKQ-HZPDHXFCSA-N 1 0 335.448 2.299 20 5 EEBDRO CN1c2ccccc2[C@@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169023212 803589286 /nfs/dbraw/zinc/58/92/86/803589286.db2.gz DMNNNLLLSGJGBN-IYOUNJFTSA-N 1 0 329.400 2.052 20 5 EEBDRO CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@](C)(C[NH3+])C1 ZINC001169137309 803629282 /nfs/dbraw/zinc/62/92/82/803629282.db2.gz KXHNGHRZSICOHG-QFYYESIMSA-N 1 0 335.408 2.044 20 5 EEBDRO CCOc1cnc(N2CCCc3ccc(C[NH3+])nc32)c([N+](=O)[O-])c1 ZINC001169583909 803888800 /nfs/dbraw/zinc/88/88/00/803888800.db2.gz GEIHWTIZCCAKFZ-UHFFFAOYSA-N 1 0 329.360 2.327 20 5 EEBDRO Cc1c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170276215 809861205 /nfs/dbraw/zinc/86/12/05/809861205.db2.gz CGJOVIOEVAGMCG-RBSFLKMASA-N 1 0 327.356 2.179 20 5 EEBDRO COc1ccc(C[C@H](C)N(CC[NH3+])c2ccccn2)c([N+](=O)[O-])c1 ZINC001170305445 809875136 /nfs/dbraw/zinc/87/51/36/809875136.db2.gz KUGPIHHYHOAKOU-ZDUSSCGKSA-N 1 0 330.388 2.395 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170319668 809888544 /nfs/dbraw/zinc/88/85/44/809888544.db2.gz YLFPDVIZQHKYSU-HIFRSBDPSA-N 1 0 349.431 2.381 20 5 EEBDRO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC001170328387 809893466 /nfs/dbraw/zinc/89/34/66/809893466.db2.gz KHKBWMPLEWUEHD-PEYYIBSZSA-N 1 0 326.368 2.329 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc3n(n2)CCCO3)c([N+](=O)[O-])c1 ZINC001170328708 809893479 /nfs/dbraw/zinc/89/34/79/809893479.db2.gz LQHAUCCTYAILDL-GFCCVEGCSA-N 1 0 346.387 2.303 20 5 EEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804414301 810847405 /nfs/dbraw/zinc/84/74/05/810847405.db2.gz KKAGXWTUVNNTKH-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO Cc1csc(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001131373043 812734927 /nfs/dbraw/zinc/73/49/27/812734927.db2.gz XUGHXBOGBOPJRM-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001521771502 1119275524 /nfs/dbraw/zinc/27/55/24/1119275524.db2.gz XQQPAZSUWJFHQG-UHFFFAOYSA-N 1 0 331.294 2.486 20 5 EEBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001524267358 1120028154 /nfs/dbraw/zinc/02/81/54/1120028154.db2.gz PHGSNCLCVSKVDK-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC001526554274 1120542347 /nfs/dbraw/zinc/54/23/47/1120542347.db2.gz HNYNTIGJWSEJJC-XOKHGSTOSA-N 1 0 348.399 2.210 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189631230 529432245 /nfs/dbraw/zinc/43/22/45/529432245.db2.gz NYIGKTXOFRTGOW-MRXNPFEDSA-N 1 0 332.360 2.382 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C ZINC000183410589 235057364 /nfs/dbraw/zinc/05/73/64/235057364.db2.gz BWFJZZPDHTXHNE-QWRGUYRKSA-N 1 0 331.376 2.315 20 5 EEBDRO [NH3+]CCCOC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000326037563 283433822 /nfs/dbraw/zinc/43/38/22/283433822.db2.gz VNQVKBPKYFTFSQ-UHFFFAOYSA-N 1 0 348.325 2.343 20 5 EEBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429055439 296019549 /nfs/dbraw/zinc/01/95/49/296019549.db2.gz SYPLOPJJDWODSX-QWHCGFSZSA-N 1 0 334.420 2.298 20 5 EEBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000227054578 201039161 /nfs/dbraw/zinc/03/91/61/201039161.db2.gz HHLXPVKOQPCGKV-UHFFFAOYSA-N 1 0 330.182 2.101 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1C ZINC000237398872 201149832 /nfs/dbraw/zinc/14/98/32/201149832.db2.gz VNKNKZUIUACSOQ-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000264817280 201211899 /nfs/dbraw/zinc/21/18/99/201211899.db2.gz XJZUAEKYNUFAJQ-LLVKDONJSA-N 1 0 332.326 2.271 20 5 EEBDRO CCOC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081519898 201355867 /nfs/dbraw/zinc/35/58/67/201355867.db2.gz MATNKSMIYHJTBC-CZUORRHYSA-N 1 0 333.388 2.059 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081332243 201356554 /nfs/dbraw/zinc/35/65/54/201356554.db2.gz FWLPUPLXKIPEGS-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420258874 239703431 /nfs/dbraw/zinc/70/34/31/239703431.db2.gz KSUJEJHRGIFHOJ-BETUJISGSA-N 1 0 329.360 2.081 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886447 283786772 /nfs/dbraw/zinc/78/67/72/283786772.db2.gz LRCAPDLJXZEFLV-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000422901388 240283839 /nfs/dbraw/zinc/28/38/39/240283839.db2.gz BXJHPQHBSGJSGH-CQSZACIVSA-N 1 0 329.360 2.277 20 5 EEBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000447091237 242246754 /nfs/dbraw/zinc/24/67/54/242246754.db2.gz PQHLFLFBIWTIGN-ZDUSSCGKSA-N 1 0 333.367 2.226 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236708074 242327562 /nfs/dbraw/zinc/32/75/62/242327562.db2.gz NQYVMLDUTNLDKI-KRWDZBQOSA-N 1 0 345.403 2.274 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451493512 243133172 /nfs/dbraw/zinc/13/31/72/243133172.db2.gz QJNJNPPIBJICLJ-VUCTXSBTSA-N 1 0 345.399 2.389 20 5 EEBDRO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000451898670 243300042 /nfs/dbraw/zinc/30/00/42/243300042.db2.gz VTXYYTSTLUDUQE-LBPRGKRZSA-N 1 0 331.376 2.409 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069657617 203032670 /nfs/dbraw/zinc/03/26/70/203032670.db2.gz AZAOGUZNZBMMJH-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO CNc1nc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000454255955 243710566 /nfs/dbraw/zinc/71/05/66/243710566.db2.gz DGFNEECBGUAFGY-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000456566423 244289106 /nfs/dbraw/zinc/28/91/06/244289106.db2.gz YQBUCXBCYGDLLB-CQSZACIVSA-N 1 0 344.415 2.492 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1SC ZINC000262723960 245146004 /nfs/dbraw/zinc/14/60/04/245146004.db2.gz GNGHHLUOMDVFGJ-ONGXEEELSA-N 1 0 339.417 2.053 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245521476 205138783 /nfs/dbraw/zinc/13/87/83/205138783.db2.gz KPDYWFIGWFDFCG-NEPJUHHUSA-N 1 0 349.387 2.174 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000133613417 205372751 /nfs/dbraw/zinc/37/27/51/205372751.db2.gz HSRNBZZUBZURCO-GFCCVEGCSA-N 1 0 341.795 2.228 20 5 EEBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000158176669 206177109 /nfs/dbraw/zinc/17/71/09/206177109.db2.gz ROJLWLYHWAWJIY-NSHDSACASA-N 1 0 339.392 2.023 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158422967 206191192 /nfs/dbraw/zinc/19/11/92/206191192.db2.gz LVUNDNUORJVYMJ-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO O=C(CCN1CC[NH+](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265156629 247255036 /nfs/dbraw/zinc/25/50/36/247255036.db2.gz UYRIEHCYMDIEHV-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000265274740 247361452 /nfs/dbraw/zinc/36/14/52/247361452.db2.gz PGEYEQHYDNCKNY-JTQLQIEISA-N 1 0 329.784 2.083 20 5 EEBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1OC ZINC000266348528 248259103 /nfs/dbraw/zinc/25/91/03/248259103.db2.gz DSAOCGXXAVSFFY-LBPRGKRZSA-N 1 0 349.391 2.060 20 5 EEBDRO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523887 248344828 /nfs/dbraw/zinc/34/48/28/248344828.db2.gz JMNBSIYHHGROLA-HNNXBMFYSA-N 1 0 338.795 2.328 20 5 EEBDRO C[C@](CO)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000174793950 207059974 /nfs/dbraw/zinc/05/99/74/207059974.db2.gz UTCZEJKHEITNSG-QGZVFWFLSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176000506 207180799 /nfs/dbraw/zinc/18/07/99/207180799.db2.gz GFXRAYYBBSJMBG-ZDUSSCGKSA-N 1 0 334.420 2.419 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177067111 207290248 /nfs/dbraw/zinc/29/02/48/207290248.db2.gz MBRCVYNWRXGXTM-CHWSQXEVSA-N 1 0 333.388 2.105 20 5 EEBDRO [NH3+][C@@H]1[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CC[C@H]1C2 ZINC000178539756 207498585 /nfs/dbraw/zinc/49/85/85/207498585.db2.gz ZEQYDLMJZHFEPV-WTTBNOFXSA-N 1 0 331.416 2.407 20 5 EEBDRO CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178898318 207549358 /nfs/dbraw/zinc/54/93/58/207549358.db2.gz BKTRSFXXZVQVGV-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC2)OCCc2ccsc23)n1 ZINC000352762592 285167978 /nfs/dbraw/zinc/16/79/78/285167978.db2.gz HGZBEUWMLNQKKS-UHFFFAOYSA-N 1 0 348.428 2.417 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267954410 256099437 /nfs/dbraw/zinc/09/94/37/256099437.db2.gz XQBDEMLZIJXVFX-UHFFFAOYSA-N 1 0 348.172 2.178 20 5 EEBDRO CS[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270547002 256146890 /nfs/dbraw/zinc/14/68/90/256146890.db2.gz YVPQKMNZQZPADL-AOEIMKSNSA-N 1 0 335.429 2.112 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](C2CCC2)CC1 ZINC000271009692 256198407 /nfs/dbraw/zinc/19/84/07/256198407.db2.gz RYVJRAXRNHLQGA-UHFFFAOYSA-N 1 0 340.383 2.453 20 5 EEBDRO COc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000272858542 256244285 /nfs/dbraw/zinc/24/42/85/256244285.db2.gz ROPYBLNAGBDIEK-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000273531368 256304651 /nfs/dbraw/zinc/30/46/51/256304651.db2.gz RINYENXYPSIDFX-HUUCEWRRSA-N 1 0 335.429 2.247 20 5 EEBDRO COCCOCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000276240474 256413725 /nfs/dbraw/zinc/41/37/25/256413725.db2.gz LVWCLHGUIRBKBB-UHFFFAOYSA-N 1 0 326.393 2.015 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCC[NH+](C)C ZINC000120216984 292251781 /nfs/dbraw/zinc/25/17/81/292251781.db2.gz QYAMAWBSLDRKLX-SNVBAGLBSA-N 1 0 327.406 2.225 20 5 EEBDRO C[NH+](C)CCc1ccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000342958550 152699332 /nfs/dbraw/zinc/69/93/32/152699332.db2.gz HNSNDMKWEISRSR-UHFFFAOYSA-N 1 0 342.399 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000160158745 292294490 /nfs/dbraw/zinc/29/44/90/292294490.db2.gz CORSIFQBEJJHGQ-AWEZNQCLSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000128920884 292349134 /nfs/dbraw/zinc/34/91/34/292349134.db2.gz ATIRUTJMFFLXBR-LBPRGKRZSA-N 1 0 329.356 2.310 20 5 EEBDRO CCC(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079209156 159130272 /nfs/dbraw/zinc/13/02/72/159130272.db2.gz MFEUHXBWIKYREY-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO CC[NH2+]CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000085102211 159169873 /nfs/dbraw/zinc/16/98/73/159169873.db2.gz KNLJLZBFKAPBOV-UHFFFAOYSA-N 1 0 335.145 2.221 20 5 EEBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000120712750 159395346 /nfs/dbraw/zinc/39/53/46/159395346.db2.gz WSDXRQKXKMJIDY-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000342771197 161089431 /nfs/dbraw/zinc/08/94/31/161089431.db2.gz YOZVQSGCBSKXJJ-OAHLLOKOSA-N 1 0 346.362 2.349 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000343182587 161111244 /nfs/dbraw/zinc/11/12/44/161111244.db2.gz KASPNSCUXCWBQP-HUUCEWRRSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000344353907 161219457 /nfs/dbraw/zinc/21/94/57/161219457.db2.gz DSGDDIVUPYDZFO-DLBZAZTESA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000344353910 161219508 /nfs/dbraw/zinc/21/95/08/161219508.db2.gz DSGDDIVUPYDZFO-IAGOWNOFSA-N 1 0 333.388 2.389 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000344946639 161258350 /nfs/dbraw/zinc/25/83/50/161258350.db2.gz XGOSWMOEWZLBPM-RYUDHWBXSA-N 1 0 339.417 2.037 20 5 EEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000346530656 161379767 /nfs/dbraw/zinc/37/97/67/161379767.db2.gz DVJPRWWGZAYVNK-UHFFFAOYSA-N 1 0 348.378 2.276 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210882 164084120 /nfs/dbraw/zinc/08/41/20/164084120.db2.gz DVDSLTUHXRRQNW-FZMZJTMJSA-N 1 0 332.404 2.328 20 5 EEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359823639 164178575 /nfs/dbraw/zinc/17/85/75/164178575.db2.gz VIPYZTYWAMZLNN-UHFFFAOYSA-N 1 0 349.435 2.048 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000360087229 164229622 /nfs/dbraw/zinc/22/96/22/164229622.db2.gz WFQBAAPXKYQECR-CYBMUJFWSA-N 1 0 337.445 2.487 20 5 EEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000361093684 164426529 /nfs/dbraw/zinc/42/65/29/164426529.db2.gz BSQDLDJTSPOQKG-GOEBONIOSA-N 1 0 344.415 2.287 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000368115825 166053144 /nfs/dbraw/zinc/05/31/44/166053144.db2.gz RBPZEIAGUSINGL-HNNXBMFYSA-N 1 0 347.415 2.455 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368613082 166090810 /nfs/dbraw/zinc/09/08/10/166090810.db2.gz MIDNELHVVCUPSU-BFHYXJOUSA-N 1 0 333.388 2.193 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000368949938 166158531 /nfs/dbraw/zinc/15/85/31/166158531.db2.gz KQZULESQIXGHDX-ROUUACIJSA-N 1 0 333.432 2.370 20 5 EEBDRO C[C@H]1OCC[C@@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000369407343 166254171 /nfs/dbraw/zinc/25/41/71/166254171.db2.gz GQKONDNUNAEAQO-CKEIUWERSA-N 1 0 336.388 2.242 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000369825993 166338673 /nfs/dbraw/zinc/33/86/73/166338673.db2.gz NWXQDMMRFQKROE-AEFFLSMTSA-N 1 0 344.415 2.107 20 5 EEBDRO Cn1cc(C[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370007010 166375401 /nfs/dbraw/zinc/37/54/01/166375401.db2.gz DXXDSHXMROWGFR-CQSZACIVSA-N 1 0 330.388 2.272 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375739141 167182659 /nfs/dbraw/zinc/18/26/59/167182659.db2.gz XNRZHMLCGBEUKR-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270250785 268810995 /nfs/dbraw/zinc/81/09/95/268810995.db2.gz QHSHXVGSBVCJIH-OAHLLOKOSA-N 1 0 347.415 2.164 20 5 EEBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000275616754 269130287 /nfs/dbraw/zinc/13/02/87/269130287.db2.gz NWLNKPHRFZNWON-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO COc1ccc(CC[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1O ZINC000277265037 269145816 /nfs/dbraw/zinc/14/58/16/269145816.db2.gz QTOCSXWJFYZHOI-LBPRGKRZSA-N 1 0 334.376 2.116 20 5 EEBDRO Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277437238 269155396 /nfs/dbraw/zinc/15/53/96/269155396.db2.gz JDLSPMZFGJZVBY-LLVKDONJSA-N 1 0 349.412 2.322 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]2(CCO)CCOC2)o1 ZINC000278494744 269234064 /nfs/dbraw/zinc/23/40/64/269234064.db2.gz MEGRWJADGAURMU-QGZVFWFLSA-N 1 0 332.356 2.486 20 5 EEBDRO C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279321813 269271600 /nfs/dbraw/zinc/27/16/00/269271600.db2.gz OOGVOAQBZLMCOL-LBPRGKRZSA-N 1 0 347.371 2.134 20 5 EEBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000280930622 269398972 /nfs/dbraw/zinc/39/89/72/269398972.db2.gz BTORRISHZCBDGR-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000284447976 269596598 /nfs/dbraw/zinc/59/65/98/269596598.db2.gz CJJDYZBAPFFZPV-OLZOCXBDSA-N 1 0 343.330 2.106 20 5 EEBDRO C[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165815837 273972274 /nfs/dbraw/zinc/97/22/74/273972274.db2.gz BJAYZLJXMWWDGH-SECBINFHSA-N 1 0 329.198 2.249 20 5 EEBDRO COc1ncccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193429419 274060533 /nfs/dbraw/zinc/06/05/33/274060533.db2.gz VWXQVUOWMXHNTI-ZDUSSCGKSA-N 1 0 329.360 2.080 20 5 EEBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762279 274062322 /nfs/dbraw/zinc/06/23/22/274062322.db2.gz ASCSEXNIJHDFKI-BZUAXINKSA-N 1 0 333.388 2.247 20 5 EEBDRO Cn1cc([C@H](CO)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271541690 274141065 /nfs/dbraw/zinc/14/10/65/274141065.db2.gz QVBNBBYHPZJFAS-XKQJLSEDSA-N 1 0 344.415 2.363 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000264064740 274164748 /nfs/dbraw/zinc/16/47/48/274164748.db2.gz FFBVUJXJHLCHRV-UHFFFAOYSA-N 1 0 332.335 2.464 20 5 EEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000275659405 274259060 /nfs/dbraw/zinc/25/90/60/274259060.db2.gz XZMMMLDNPNPCOA-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743059 274398037 /nfs/dbraw/zinc/39/80/37/274398037.db2.gz VPDDRKRSCJCHJF-PXAZEXFGSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285899715 274811544 /nfs/dbraw/zinc/81/15/44/274811544.db2.gz CURVIEOZVYZNAU-OHUAYANFSA-N 1 0 332.404 2.285 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000365489598 275038423 /nfs/dbraw/zinc/03/84/23/275038423.db2.gz FWUVIUBWTDCMCY-XYJFISCASA-N 1 0 331.416 2.425 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289183193 275102810 /nfs/dbraw/zinc/10/28/10/275102810.db2.gz ILMDNQASVCSYKP-SFHVURJKSA-N 1 0 346.431 2.389 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000289465013 275118189 /nfs/dbraw/zinc/11/81/89/275118189.db2.gz AFLZVUGJDWVGMO-OCCSQVGLSA-N 1 0 325.796 2.499 20 5 EEBDRO C[C@H]1CCC[C@@](CNc2nccc(C(N)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000290721763 275233207 /nfs/dbraw/zinc/23/32/07/275233207.db2.gz ZAMLJEDCCWETIU-MEDUHNTESA-N 1 0 335.408 2.011 20 5 EEBDRO COC(=O)c1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)c1C ZINC000291105204 275270835 /nfs/dbraw/zinc/27/08/35/275270835.db2.gz BIIGUTYAABDMKR-UHFFFAOYSA-N 1 0 331.372 2.361 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000292003973 275363102 /nfs/dbraw/zinc/36/31/02/275363102.db2.gz CLRAZSUZROYNNG-ZDUSSCGKSA-N 1 0 334.420 2.442 20 5 EEBDRO Cc1ccc(NCCCNC(=O)CC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000292078267 275372775 /nfs/dbraw/zinc/37/27/75/275372775.db2.gz LVGUDZYOOGWHTC-AWEZNQCLSA-N 1 0 334.420 2.354 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000267179493 276075126 /nfs/dbraw/zinc/07/51/26/276075126.db2.gz BHRWCVZSFUKDDQ-CYBMUJFWSA-N 1 0 348.403 2.329 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153147608 277124554 /nfs/dbraw/zinc/12/45/54/277124554.db2.gz HMBKFIJHZMECFI-QWHCGFSZSA-N 1 0 331.294 2.133 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127881740 277201498 /nfs/dbraw/zinc/20/14/98/277201498.db2.gz CNDRNVBPMUPZOX-CYBMUJFWSA-N 1 0 335.404 2.273 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415437056 277912486 /nfs/dbraw/zinc/91/24/86/277912486.db2.gz KGTXNVSFDOHSCW-STQMWFEESA-N 1 0 348.403 2.457 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+](C)C ZINC000129613623 279588766 /nfs/dbraw/zinc/58/87/66/279588766.db2.gz BJFIKMZLWIBXKF-JTQLQIEISA-N 1 0 329.784 2.083 20 5 EEBDRO Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368603552 280561778 /nfs/dbraw/zinc/56/17/78/280561778.db2.gz NIDHIIWZMPPFCK-LBPRGKRZSA-N 1 0 328.328 2.092 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287481709 293064150 /nfs/dbraw/zinc/06/41/50/293064150.db2.gz SHTUEGNIIHKUQN-CQSZACIVSA-N 1 0 347.415 2.438 20 5 EEBDRO CC[NH+](CC)CCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293322460 293181396 /nfs/dbraw/zinc/18/13/96/293181396.db2.gz XORVECPOWSPVIY-UHFFFAOYSA-N 1 0 348.447 2.085 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293570691 293242175 /nfs/dbraw/zinc/24/21/75/293242175.db2.gz XZTJWTRJACVJEG-HUUCEWRRSA-N 1 0 344.415 2.019 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000296564804 294009549 /nfs/dbraw/zinc/00/95/49/294009549.db2.gz CZRULZATLGUZIU-INIZCTEOSA-N 1 0 334.376 2.163 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296818237 294075377 /nfs/dbraw/zinc/07/53/77/294075377.db2.gz CJPOHSUOHHYJJT-YHWZYXNKSA-N 1 0 333.388 2.349 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000297667665 294310895 /nfs/dbraw/zinc/31/08/95/294310895.db2.gz ZQDZBCRFDNJZRZ-LSDHHAIUSA-N 1 0 347.415 2.231 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000237524277 297362565 /nfs/dbraw/zinc/36/25/65/297362565.db2.gz POBXTFNSDPRWEZ-BETUJISGSA-N 1 0 334.420 2.156 20 5 EEBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCOCC1 ZINC000165106522 311390117 /nfs/dbraw/zinc/39/01/17/311390117.db2.gz AITHJPHYCOSKMS-CZUORRHYSA-N 1 0 335.404 2.191 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000412173986 312626040 /nfs/dbraw/zinc/62/60/40/312626040.db2.gz WCFFXNZWTZWBQC-ZMSDIMECSA-N 1 0 349.456 2.252 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949939 313113717 /nfs/dbraw/zinc/11/37/17/313113717.db2.gz OBHPIPPUWFGETO-MRVPVSSYSA-N 1 0 330.291 2.070 20 5 EEBDRO [NH3+][C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414954136 313114693 /nfs/dbraw/zinc/11/46/93/313114693.db2.gz SIJKZSGRNDIFSB-SECBINFHSA-N 1 0 330.291 2.055 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415509654 313137408 /nfs/dbraw/zinc/13/74/08/313137408.db2.gz XAVHQVBIHGNMMA-IJLUTSLNSA-N 1 0 334.376 2.113 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC(F)F)C2)n1 ZINC000417388406 313501019 /nfs/dbraw/zinc/50/10/19/313501019.db2.gz ONWFDPYNERZTQM-YNEHKIRRSA-N 1 0 343.378 2.204 20 5 EEBDRO CCC[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418094023 313710641 /nfs/dbraw/zinc/71/06/41/313710641.db2.gz UGWXGADSAUVZQU-UHFFFAOYSA-N 1 0 348.325 2.412 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000420449524 313962260 /nfs/dbraw/zinc/96/22/60/313962260.db2.gz KDOCBISPWYGPRU-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C)CC[NH2+]CC1 ZINC000434699125 314858606 /nfs/dbraw/zinc/85/86/06/314858606.db2.gz ZEPSNUDYISEELM-JTQLQIEISA-N 1 0 341.795 2.274 20 5 EEBDRO NC(=O)c1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439131449 315069138 /nfs/dbraw/zinc/06/91/38/315069138.db2.gz ODDUFMHZIZBHTF-CQSZACIVSA-N 1 0 340.383 2.380 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440414411 315129909 /nfs/dbraw/zinc/12/99/09/315129909.db2.gz WCXOQUWPXXTLHP-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587218 315251121 /nfs/dbraw/zinc/25/11/21/315251121.db2.gz DIZDHMIZTZEWGQ-UHFFFAOYSA-N 1 0 335.452 2.416 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(C)C ZINC000444170309 315278595 /nfs/dbraw/zinc/27/85/95/315278595.db2.gz SSLQWXDZQKIFPR-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO CC(=O)NC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444683657 315316729 /nfs/dbraw/zinc/31/67/29/315316729.db2.gz ILWGLDZHVQQENM-UHFFFAOYSA-N 1 0 345.403 2.350 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000496685373 316228180 /nfs/dbraw/zinc/22/81/80/316228180.db2.gz VIJCDOVUJMRRGK-CQSZACIVSA-N 1 0 349.387 2.268 20 5 EEBDRO Cc1ccccc1OCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515475443 316497702 /nfs/dbraw/zinc/49/77/02/316497702.db2.gz XHUACDNBANOLCN-HNNXBMFYSA-N 1 0 346.383 2.312 20 5 EEBDRO CNc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000516570925 316571558 /nfs/dbraw/zinc/57/15/58/316571558.db2.gz CBNUWKSLYHPIBH-LBPRGKRZSA-N 1 0 341.371 2.100 20 5 EEBDRO CCCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540144983 318071131 /nfs/dbraw/zinc/07/11/31/318071131.db2.gz RMUPYYCTULRLHJ-CYBMUJFWSA-N 1 0 343.449 2.432 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000542754909 318138612 /nfs/dbraw/zinc/13/86/12/318138612.db2.gz HSWBUAWUDIPVHR-CYBMUJFWSA-N 1 0 334.420 2.467 20 5 EEBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000562593337 318900904 /nfs/dbraw/zinc/90/09/04/318900904.db2.gz ISXCTDTUCNWIJE-MELADBBJSA-N 1 0 337.424 2.169 20 5 EEBDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000563130754 318975341 /nfs/dbraw/zinc/97/53/41/318975341.db2.gz UIFZXAUYEXOXPY-LLVKDONJSA-N 1 0 345.346 2.041 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000563662686 319034922 /nfs/dbraw/zinc/03/49/22/319034922.db2.gz DCADXFOOYBWUNN-CQSZACIVSA-N 1 0 335.404 2.089 20 5 EEBDRO CCn1ccnc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564858710 319119031 /nfs/dbraw/zinc/11/90/31/319119031.db2.gz JXDBSHSADRNYNH-GFCCVEGCSA-N 1 0 331.376 2.491 20 5 EEBDRO C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000565665681 319203056 /nfs/dbraw/zinc/20/30/56/319203056.db2.gz MQUYHZKVAMAYTD-BIMULSAOSA-N 1 0 332.360 2.455 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566203438 319259885 /nfs/dbraw/zinc/25/98/85/319259885.db2.gz WYPLNSLOJFTOIN-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO CCC(CC)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000570201887 319644847 /nfs/dbraw/zinc/64/48/47/319644847.db2.gz MKCGPBSTKCPADW-QGZVFWFLSA-N 1 0 346.431 2.500 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000574201124 320004531 /nfs/dbraw/zinc/00/45/31/320004531.db2.gz IMUDJLHVHMXVEB-WMLDXEAASA-N 1 0 347.415 2.262 20 5 EEBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000577248194 320244469 /nfs/dbraw/zinc/24/44/69/320244469.db2.gz RIYUMQPKQNWRQI-UHFFFAOYSA-N 1 0 332.364 2.296 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000182280935 323370993 /nfs/dbraw/zinc/37/09/93/323370993.db2.gz SQXTYTIPFNSBOA-GDBMZVCRSA-N 1 0 333.388 2.031 20 5 EEBDRO C[C@@H](C(=O)NC[C@H](C)Cn1ccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000182807336 323388765 /nfs/dbraw/zinc/38/87/65/323388765.db2.gz RXDGEGBLZXBRBZ-NWDGAFQWSA-N 1 0 334.351 2.486 20 5 EEBDRO CC1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000579227678 323805798 /nfs/dbraw/zinc/80/57/98/323805798.db2.gz XXMHKSNHJSMHSP-UHFFFAOYSA-N 1 0 331.294 2.486 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCO[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581067705 324179131 /nfs/dbraw/zinc/17/91/31/324179131.db2.gz NLWGHJJGOKIYBV-CJNGLKHVSA-N 1 0 333.388 2.471 20 5 EEBDRO COCC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486968684 447826957 /nfs/dbraw/zinc/82/69/57/447826957.db2.gz JRGDFHOLALKQKH-UHFFFAOYSA-N 1 0 347.375 2.168 20 5 EEBDRO NC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092754120 462977878 /nfs/dbraw/zinc/97/78/78/462977878.db2.gz XLYUTLUFLNAFNS-UHFFFAOYSA-N 1 0 344.371 2.441 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000165898643 463648677 /nfs/dbraw/zinc/64/86/77/463648677.db2.gz BZWPTUJHUOIRJA-DTORHVGOSA-N 1 0 342.193 2.180 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165848536 463649222 /nfs/dbraw/zinc/64/92/22/463649222.db2.gz IMGGARIVLCEBLH-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000280891611 464266292 /nfs/dbraw/zinc/26/62/92/464266292.db2.gz DDJZGFUQYFHYEE-GJZGRUSLSA-N 1 0 347.415 2.415 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923276 465007086 /nfs/dbraw/zinc/00/70/86/465007086.db2.gz FLXALAMWBYMGNX-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351169880 465086336 /nfs/dbraw/zinc/08/63/36/465086336.db2.gz RJJGTDNGGXMBNT-IUODEOHRSA-N 1 0 349.435 2.202 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000341284296 465091479 /nfs/dbraw/zinc/09/14/79/465091479.db2.gz LDNHPNLYAISGPH-UHFFFAOYSA-N 1 0 341.433 2.276 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000347592408 465110656 /nfs/dbraw/zinc/11/06/56/465110656.db2.gz NGHSATNLIJAFFT-CVEARBPZSA-N 1 0 343.431 2.386 20 5 EEBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000354836069 465181478 /nfs/dbraw/zinc/18/14/78/465181478.db2.gz AQENZCXAOAUWOW-HOTGVXAUSA-N 1 0 347.394 2.031 20 5 EEBDRO C[NH+](C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000358838559 465351414 /nfs/dbraw/zinc/35/14/14/465351414.db2.gz QRHAHAIGADWSIK-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1ncsc1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590659205 468298368 /nfs/dbraw/zinc/29/83/68/468298368.db2.gz XPDDULJIPWCVLP-UHFFFAOYSA-N 1 0 335.385 2.463 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060722371 462564103 /nfs/dbraw/zinc/56/41/03/462564103.db2.gz LBKIMSWQRQPQBQ-GJZGRUSLSA-N 1 0 335.429 2.430 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000061035309 462574109 /nfs/dbraw/zinc/57/41/09/462574109.db2.gz VSQASVFFHFDFRG-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CN1CCO[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000152747589 462576846 /nfs/dbraw/zinc/57/68/46/462576846.db2.gz AVXINONQMQJVCW-JKSUJKDBSA-N 1 0 347.415 2.047 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321514 462586010 /nfs/dbraw/zinc/58/60/10/462586010.db2.gz QOQMGAFEOIVBGP-ZDUSSCGKSA-N 1 0 349.435 2.074 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000153865248 462701591 /nfs/dbraw/zinc/70/15/91/462701591.db2.gz OYBPBRPJYALCOM-MRXNPFEDSA-N 1 0 346.383 2.475 20 5 EEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552512 462797475 /nfs/dbraw/zinc/79/74/75/462797475.db2.gz VLGSFNYTEHRONN-HUUCEWRRSA-N 1 0 335.404 2.036 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)CCOCC1)C1CC1 ZINC000090661203 462806242 /nfs/dbraw/zinc/80/62/42/462806242.db2.gz IBFRJQVEWSXVHQ-MRXNPFEDSA-N 1 0 334.416 2.295 20 5 EEBDRO Nc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000076267195 462832413 /nfs/dbraw/zinc/83/24/13/462832413.db2.gz GHGGHPNRZGZVFV-SNVBAGLBSA-N 1 0 334.405 2.278 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000118826487 462854779 /nfs/dbraw/zinc/85/47/79/462854779.db2.gz XTQTWUFOHXCHEU-UHFFFAOYSA-N 1 0 340.811 2.214 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118826973 462854904 /nfs/dbraw/zinc/85/49/04/462854904.db2.gz FSCDQAJCMLOWPV-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842287 462857345 /nfs/dbraw/zinc/85/73/45/462857345.db2.gz VALKKKWVZMFZNI-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048316228 462893496 /nfs/dbraw/zinc/89/34/96/462893496.db2.gz QKUASRSSKSORAY-UHFFFAOYSA-N 1 0 328.372 2.433 20 5 EEBDRO Cn1ccnc1C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000119530512 462908750 /nfs/dbraw/zinc/90/87/50/462908750.db2.gz CGBWIWDBGHZGOG-AWEZNQCLSA-N 1 0 342.399 2.352 20 5 EEBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754300 468327887 /nfs/dbraw/zinc/32/78/87/468327887.db2.gz RWFJYTQAVHWIPC-INIZCTEOSA-N 1 0 331.372 2.170 20 5 EEBDRO CN(C)C(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501246 462954232 /nfs/dbraw/zinc/95/42/32/462954232.db2.gz JCXCYSRSPAOUNP-KRWDZBQOSA-N 1 0 342.399 2.426 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579231509 468328734 /nfs/dbraw/zinc/32/87/34/468328734.db2.gz ILBFIJRAGBIDNT-OAHLLOKOSA-N 1 0 346.431 2.022 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121236189 463101751 /nfs/dbraw/zinc/10/17/51/463101751.db2.gz UZEOOMWCAYFAGV-WFASDCNBSA-N 1 0 337.445 2.486 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cncn1C ZINC000121369048 463124409 /nfs/dbraw/zinc/12/44/09/463124409.db2.gz VZNTULDKXSWHSL-UHFFFAOYSA-N 1 0 334.401 2.413 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000491323534 468349910 /nfs/dbraw/zinc/34/99/10/468349910.db2.gz ZXZLHGKTZKWVHM-PKYBCLHXSA-N 1 0 333.363 2.444 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123515059 463348379 /nfs/dbraw/zinc/34/83/79/463348379.db2.gz ARASCAOXFNANQP-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000032369063 463374214 /nfs/dbraw/zinc/37/42/14/463374214.db2.gz GJAMSRICFWCVHK-OAHLLOKOSA-N 1 0 349.412 2.454 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000072608717 463525003 /nfs/dbraw/zinc/52/50/03/463525003.db2.gz RRYCJFFMFZPCHP-SJORKVTESA-N 1 0 330.388 2.283 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000058256154 463560307 /nfs/dbraw/zinc/56/03/07/463560307.db2.gz GDAAWIYHNKJUBO-QHHAFSJGSA-N 1 0 333.363 2.490 20 5 EEBDRO C[NH2+]C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165819349 463647711 /nfs/dbraw/zinc/64/77/11/463647711.db2.gz KWFXCKMWLTXFHM-SECBINFHSA-N 1 0 329.198 2.106 20 5 EEBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184924852 463720481 /nfs/dbraw/zinc/72/04/81/463720481.db2.gz QJWLFMXNGFVJGQ-NEPJUHHUSA-N 1 0 335.379 2.438 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000286977135 463760734 /nfs/dbraw/zinc/76/07/34/463760734.db2.gz GMBJLRIHOQXYCQ-LSDHHAIUSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000178006534 463828040 /nfs/dbraw/zinc/82/80/40/463828040.db2.gz PNSNVOBNZLHDRN-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000178024710 463830843 /nfs/dbraw/zinc/83/08/43/463830843.db2.gz LQESSMSEESRDII-AWEZNQCLSA-N 1 0 339.823 2.402 20 5 EEBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016464 463844319 /nfs/dbraw/zinc/84/43/19/463844319.db2.gz QMMZVXVQKHUVIN-GDBMZVCRSA-N 1 0 333.388 2.031 20 5 EEBDRO CCC[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269059010 463862322 /nfs/dbraw/zinc/86/23/22/463862322.db2.gz UAEOBZIAHHUJMX-SNVBAGLBSA-N 1 0 348.325 2.269 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185793978 463879962 /nfs/dbraw/zinc/87/99/62/463879962.db2.gz FVHXEIIGIFOUOD-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO COc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000568760103 468383586 /nfs/dbraw/zinc/38/35/86/468383586.db2.gz KSWIVEFNBUKPQC-QMMMGPOBSA-N 1 0 348.384 2.128 20 5 EEBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1[NH3+] ZINC000269207645 463909202 /nfs/dbraw/zinc/90/92/02/463909202.db2.gz MMXJTJIPAMQFRC-RHSMWYFYSA-N 1 0 349.434 2.350 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000269209286 463909881 /nfs/dbraw/zinc/90/98/81/463909881.db2.gz OVVVGDPYYUCXJR-KBPBESRZSA-N 1 0 346.431 2.313 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287518035 463912524 /nfs/dbraw/zinc/91/25/24/463912524.db2.gz VEGXWXARKJMAGQ-UHFFFAOYSA-N 1 0 338.383 2.264 20 5 EEBDRO CN(CC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000269216267 463913666 /nfs/dbraw/zinc/91/36/66/463913666.db2.gz PRTYRDOIYSHNTG-UHFFFAOYSA-N 1 0 340.383 2.315 20 5 EEBDRO CC(C)(C)C[C@H](CO)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000269619495 464036089 /nfs/dbraw/zinc/03/60/89/464036089.db2.gz HSUKGLZBORGAOW-CYBMUJFWSA-N 1 0 346.387 2.307 20 5 EEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284074488 464083780 /nfs/dbraw/zinc/08/37/80/464083780.db2.gz RBKLRBXQHUUHPR-UHFFFAOYSA-N 1 0 342.783 2.092 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]3CCO)n2)c1 ZINC000279373629 464094335 /nfs/dbraw/zinc/09/43/35/464094335.db2.gz XGMGSTPPFMNYOQ-RISCZKNCSA-N 1 0 332.360 2.286 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270054436 464172054 /nfs/dbraw/zinc/17/20/54/464172054.db2.gz CXJQQPDHYOPTBS-OAHLLOKOSA-N 1 0 346.431 2.197 20 5 EEBDRO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000271358247 464294166 /nfs/dbraw/zinc/29/41/66/464294166.db2.gz QOKDFPSHQGHLPM-MLGOLLRUSA-N 1 0 330.388 2.198 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000180454380 464314457 /nfs/dbraw/zinc/31/44/57/464314457.db2.gz XYJMZSRAZYRUGV-RYUDHWBXSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000237570605 464342238 /nfs/dbraw/zinc/34/22/38/464342238.db2.gz OHCTYJWHCAGOAX-GUYCJALGSA-N 1 0 342.399 2.459 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237576445 464342280 /nfs/dbraw/zinc/34/22/80/464342280.db2.gz NHSPXNMMUPZCQG-GXSJLCMTSA-N 1 0 347.824 2.139 20 5 EEBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271667208 464357657 /nfs/dbraw/zinc/35/76/57/464357657.db2.gz FOZCHNPGBJYRME-HIFRSBDPSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862540 464460256 /nfs/dbraw/zinc/46/02/56/464460256.db2.gz YFKFNUYMWVZWCP-JKSUJKDBSA-N 1 0 335.452 2.378 20 5 EEBDRO Cc1ccnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000265260910 464514530 /nfs/dbraw/zinc/51/45/30/464514530.db2.gz SKJDWZHAXAQBPX-HZPDHXFCSA-N 1 0 347.463 2.293 20 5 EEBDRO COc1cc(C(=O)NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000294557617 464536211 /nfs/dbraw/zinc/53/62/11/464536211.db2.gz RMVYMSWUMABVMY-UHFFFAOYSA-N 1 0 327.356 2.203 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265381959 464539235 /nfs/dbraw/zinc/53/92/35/464539235.db2.gz QKZDUIKMECCEKO-NSHDSACASA-N 1 0 343.811 2.474 20 5 EEBDRO Cc1ccc(CN(CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000181989060 464546055 /nfs/dbraw/zinc/54/60/55/464546055.db2.gz FRAHVQMHDCTKHI-UHFFFAOYSA-N 1 0 343.383 2.336 20 5 EEBDRO C[NH2+]Cc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000294706203 464581540 /nfs/dbraw/zinc/58/15/40/464581540.db2.gz BEFJCKQDWRPKNY-UHFFFAOYSA-N 1 0 331.376 2.156 20 5 EEBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000190367412 464629451 /nfs/dbraw/zinc/62/94/51/464629451.db2.gz HVDWMSZRXKFFQG-SWLSCSKDSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621831 464694990 /nfs/dbraw/zinc/69/49/90/464694990.db2.gz DJMSVMFYYVQMMT-RISCZKNCSA-N 1 0 330.344 2.249 20 5 EEBDRO CCC(CC)[N@H+](CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039261 464700928 /nfs/dbraw/zinc/70/09/28/464700928.db2.gz ONYNOBFRRQBZPN-HNNXBMFYSA-N 1 0 340.420 2.472 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295211656 464747398 /nfs/dbraw/zinc/74/73/98/464747398.db2.gz LQQGWTFLSCSMHX-QMMMGPOBSA-N 1 0 330.182 2.215 20 5 EEBDRO Cc1ccnc([C@H](C)[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000286091198 464800703 /nfs/dbraw/zinc/80/07/03/464800703.db2.gz MSOXETONTPOGQE-ZLIFDBKOSA-N 1 0 331.372 2.043 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000266775699 464818114 /nfs/dbraw/zinc/81/81/14/464818114.db2.gz ZEXRQAMPJDQJIW-CABCVRRESA-N 1 0 346.431 2.406 20 5 EEBDRO CCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000295419886 464825275 /nfs/dbraw/zinc/82/52/75/464825275.db2.gz XZUOBJMLKYHHGH-GJZGRUSLSA-N 1 0 335.404 2.084 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286271869 464863082 /nfs/dbraw/zinc/86/30/82/464863082.db2.gz BIZGEHPXPKBISR-PDKFAOIESA-N 1 0 345.399 2.279 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000593907558 468428811 /nfs/dbraw/zinc/42/88/11/468428811.db2.gz XQHABSWILCKMOR-VXGBXAGGSA-N 1 0 345.403 2.004 20 5 EEBDRO CN(CC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000184219223 464953945 /nfs/dbraw/zinc/95/39/45/464953945.db2.gz FJNPPUYPQSSYSV-UHFFFAOYSA-N 1 0 342.399 2.019 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193036709 465023566 /nfs/dbraw/zinc/02/35/66/465023566.db2.gz UFCKOUKQQBPYFQ-WFASDCNBSA-N 1 0 341.433 2.089 20 5 EEBDRO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342577170 465331544 /nfs/dbraw/zinc/33/15/44/465331544.db2.gz BAPUVAYHVKACET-HOTGVXAUSA-N 1 0 333.388 2.201 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593913180 468430889 /nfs/dbraw/zinc/43/08/89/468430889.db2.gz SAOUCMGYUVKRHI-GRDNDAEWSA-N 1 0 347.415 2.262 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351878136 465412296 /nfs/dbraw/zinc/41/22/96/465412296.db2.gz IBDWYDODODNYJY-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593917379 468432878 /nfs/dbraw/zinc/43/28/78/468432878.db2.gz VDHXAHNKKIDXOB-KGLIPLIRSA-N 1 0 335.404 2.340 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628342 465473439 /nfs/dbraw/zinc/47/34/39/465473439.db2.gz BIIRJJOGKSDEON-HNNXBMFYSA-N 1 0 333.388 2.190 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357080801 465752273 /nfs/dbraw/zinc/75/22/73/465752273.db2.gz NFOMDVLIMJOWSQ-HNNXBMFYSA-N 1 0 346.431 2.163 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176628 465964798 /nfs/dbraw/zinc/96/47/98/465964798.db2.gz KDXZHWCYMHLWEZ-JJRVBVJISA-N 1 0 347.415 2.162 20 5 EEBDRO CCOc1cc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000301566642 465987381 /nfs/dbraw/zinc/98/73/81/465987381.db2.gz ZHPAARGFLMDNEI-MRXNPFEDSA-N 1 0 348.447 2.210 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331279142 466008587 /nfs/dbraw/zinc/00/85/87/466008587.db2.gz ARRVYCCOEONWQW-UHFFFAOYSA-N 1 0 337.424 2.293 20 5 EEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346256345 466034461 /nfs/dbraw/zinc/03/44/61/466034461.db2.gz IQAJAVHBHIOPHA-LLVKDONJSA-N 1 0 341.433 2.013 20 5 EEBDRO COc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263808 466040259 /nfs/dbraw/zinc/04/02/59/466040259.db2.gz NJTQBVOSMVUXKI-XJKCOSOUSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C(c1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591439803 468469138 /nfs/dbraw/zinc/46/91/38/468469138.db2.gz YDQJCJAKNDTVGR-BBRMVZONSA-N 1 0 344.415 2.019 20 5 EEBDRO COc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402045 466066402 /nfs/dbraw/zinc/06/64/02/466066402.db2.gz BDYDPIQVXVIBOC-ZIAGYGMSSA-N 1 0 331.376 2.468 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000362986974 466161390 /nfs/dbraw/zinc/16/13/90/466161390.db2.gz PLPZRGOPBDYIQU-AWEZNQCLSA-N 1 0 342.399 2.080 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000353892293 466237785 /nfs/dbraw/zinc/23/77/85/466237785.db2.gz HTZAXODCRUQINO-UHFFFAOYSA-N 1 0 346.431 2.479 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000304291963 466277856 /nfs/dbraw/zinc/27/78/56/466277856.db2.gz GQJJVROSHRJCKP-ACJLOTCBSA-N 1 0 344.415 2.382 20 5 EEBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940748 466315981 /nfs/dbraw/zinc/31/59/81/466315981.db2.gz LWYOFLABSHINRH-IUODEOHRSA-N 1 0 336.388 2.444 20 5 EEBDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338693888 466316239 /nfs/dbraw/zinc/31/62/39/466316239.db2.gz CWWUHEKCVRMBPH-CYBMUJFWSA-N 1 0 333.310 2.401 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000358020614 466391865 /nfs/dbraw/zinc/39/18/65/466391865.db2.gz FGLHYHXGHJAJHJ-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305748367 466444825 /nfs/dbraw/zinc/44/48/25/466444825.db2.gz QJMXCDICYHNIBE-YMTOWFKASA-N 1 0 341.795 2.278 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000358140173 466489493 /nfs/dbraw/zinc/48/94/93/466489493.db2.gz OKTBLERQQDOMTP-ZDUSSCGKSA-N 1 0 337.424 2.035 20 5 EEBDRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000323756769 466641179 /nfs/dbraw/zinc/64/11/79/466641179.db2.gz VYTXKMWRDYBVRL-RNCFNFMXSA-N 1 0 331.294 2.314 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000374503926 466655105 /nfs/dbraw/zinc/65/51/05/466655105.db2.gz LJTYGMYZJQXETG-XQAQDONZSA-N 1 0 333.388 2.469 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415442520 466681058 /nfs/dbraw/zinc/68/10/58/466681058.db2.gz QCGFHIZITVZTLX-SECBINFHSA-N 1 0 332.282 2.439 20 5 EEBDRO Nc1ccc(-c2noc([C@H]3CCn4cncc4C3)n2)cc1[N+](=O)[O-] ZINC000364234953 466690323 /nfs/dbraw/zinc/69/03/23/466690323.db2.gz NOJYLHYHIKLZNF-JTQLQIEISA-N 1 0 326.316 2.154 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000417722310 466917056 /nfs/dbraw/zinc/91/70/56/466917056.db2.gz VJRODCSUNGWZQR-UHFFFAOYSA-N 1 0 349.435 2.099 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520811 466917275 /nfs/dbraw/zinc/91/72/75/466917275.db2.gz XINYDKVKIDVESZ-AAEUAGOBSA-N 1 0 347.371 2.022 20 5 EEBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423934868 466919877 /nfs/dbraw/zinc/91/98/77/466919877.db2.gz XBBUBGXCCVNLAF-JKSUJKDBSA-N 1 0 325.368 2.389 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424008788 466949324 /nfs/dbraw/zinc/94/93/24/466949324.db2.gz WKURQPRRUHAMRJ-KRWDZBQOSA-N 1 0 340.383 2.180 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424008789 466949645 /nfs/dbraw/zinc/94/96/45/466949645.db2.gz WKURQPRRUHAMRJ-QGZVFWFLSA-N 1 0 340.383 2.180 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418001014 467018143 /nfs/dbraw/zinc/01/81/43/467018143.db2.gz XQCCAWSZSDBJLZ-CYBMUJFWSA-N 1 0 340.811 2.184 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418775670 467157605 /nfs/dbraw/zinc/15/76/05/467157605.db2.gz SPDKNORBCFFOKT-HNNXBMFYSA-N 1 0 332.404 2.195 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431997449 467207501 /nfs/dbraw/zinc/20/75/01/467207501.db2.gz HIYSMYLXFNCHJY-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000429127493 467302379 /nfs/dbraw/zinc/30/23/79/467302379.db2.gz CCHRLGBKEMFPED-LBPRGKRZSA-N 1 0 334.401 2.431 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000452088368 467317672 /nfs/dbraw/zinc/31/76/72/467317672.db2.gz OBJLEJIMOLOQPN-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C[NH3+] ZINC000420296587 467343438 /nfs/dbraw/zinc/34/34/38/467343438.db2.gz XEQJPIQFGSQJND-UHFFFAOYSA-N 1 0 328.800 2.103 20 5 EEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000413956169 467349421 /nfs/dbraw/zinc/34/94/21/467349421.db2.gz MISGATQWLAQEMX-UHFFFAOYSA-N 1 0 349.343 2.389 20 5 EEBDRO COCCNC(=O)C1([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000414184108 467387744 /nfs/dbraw/zinc/38/77/44/467387744.db2.gz NMXQCQQMIVLOBZ-OAHLLOKOSA-N 1 0 347.415 2.202 20 5 EEBDRO COc1ccc(OCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420386472 467389130 /nfs/dbraw/zinc/38/91/30/467389130.db2.gz FWKPUMUEQYISPN-GOEBONIOSA-N 1 0 349.431 2.446 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420406636 467396853 /nfs/dbraw/zinc/39/68/53/467396853.db2.gz RGYSEEACZKIEEM-OCCSQVGLSA-N 1 0 340.383 2.312 20 5 EEBDRO COc1ccc(OCCN2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000430562347 467440852 /nfs/dbraw/zinc/44/08/52/467440852.db2.gz DJBMBXMLBFURQH-UHFFFAOYSA-N 1 0 349.431 2.446 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430640238 467454632 /nfs/dbraw/zinc/45/46/32/467454632.db2.gz GUCDYRCYQOKNPA-SMDDNHRTSA-N 1 0 331.376 2.347 20 5 EEBDRO [NH3+]CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)F ZINC000414990797 467462187 /nfs/dbraw/zinc/46/21/87/467462187.db2.gz OQNBXBLVNXHYKS-VIFPVBQESA-N 1 0 325.262 2.268 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449209994 467623814 /nfs/dbraw/zinc/62/38/14/467623814.db2.gz SUOYLVWQNPKEIN-OLZOCXBDSA-N 1 0 333.388 2.065 20 5 EEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000449245360 467625719 /nfs/dbraw/zinc/62/57/19/467625719.db2.gz AHPPVMJJWGGODC-CYBMUJFWSA-N 1 0 337.376 2.344 20 5 EEBDRO CSCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000449329392 467631412 /nfs/dbraw/zinc/63/14/12/467631412.db2.gz NXBGSENQYPHUJG-JSGCOSHPSA-N 1 0 339.461 2.325 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000457110082 467755099 /nfs/dbraw/zinc/75/50/99/467755099.db2.gz HRGBJWRAHHUMDX-CQSZACIVSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000479584123 468003264 /nfs/dbraw/zinc/00/32/64/468003264.db2.gz CQNSWFDDTHSBNZ-LBPRGKRZSA-N 1 0 337.395 2.465 20 5 EEBDRO CC[C@@H]1CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000487192990 468027613 /nfs/dbraw/zinc/02/76/13/468027613.db2.gz VDPXCSRIJBYNNY-CQSZACIVSA-N 1 0 327.812 2.449 20 5 EEBDRO O=[N+]([O-])c1sccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000590146244 468218366 /nfs/dbraw/zinc/21/83/66/468218366.db2.gz UVKORFXVAOFCHR-CQSZACIVSA-N 1 0 333.413 2.487 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000534293680 468244996 /nfs/dbraw/zinc/24/49/96/468244996.db2.gz YKPOLIZRCCPREL-STQMWFEESA-N 1 0 335.404 2.087 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594196774 468508901 /nfs/dbraw/zinc/50/89/01/468508901.db2.gz MLTAXERVIGMZAY-ZIAGYGMSSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000591749386 468514027 /nfs/dbraw/zinc/51/40/27/468514027.db2.gz OEXYECDPPCSLRY-XJKSGUPXSA-N 1 0 331.372 2.123 20 5 EEBDRO CSc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000591758299 468516444 /nfs/dbraw/zinc/51/64/44/468516444.db2.gz VUPSFSMBLFKBFD-AWEZNQCLSA-N 1 0 349.412 2.241 20 5 EEBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594437048 468587123 /nfs/dbraw/zinc/58/71/23/468587123.db2.gz SOGKWPDVWJKCEZ-QAPCUYQASA-N 1 0 329.400 2.476 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522781 468614501 /nfs/dbraw/zinc/61/45/01/468614501.db2.gz SVTKNQWDQZBVBT-DGCLKSJQSA-N 1 0 345.403 2.330 20 5 EEBDRO O=[N+]([O-])c1cc(CNC[C@@H](O)C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000600733604 468642133 /nfs/dbraw/zinc/64/21/33/468642133.db2.gz KWHLWQFKJJVINS-CQSZACIVSA-N 1 0 347.337 2.160 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000597706433 468646241 /nfs/dbraw/zinc/64/62/41/468646241.db2.gz VZDLDBJFXCCTNS-UHFFFAOYSA-N 1 0 331.294 2.247 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000592428846 468696810 /nfs/dbraw/zinc/69/68/10/468696810.db2.gz ZXNGDQRQYKLTND-SJKOYZFVSA-N 1 0 331.372 2.403 20 5 EEBDRO Cn1ccnc1[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583495791 468706239 /nfs/dbraw/zinc/70/62/39/468706239.db2.gz WMEOFGNTGHIXIM-MRXNPFEDSA-N 1 0 343.387 2.398 20 5 EEBDRO CN(C[C@H]1CCCOC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000570911541 468711658 /nfs/dbraw/zinc/71/16/58/468711658.db2.gz ZWEPHRZZJGJLNH-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554082 468728866 /nfs/dbraw/zinc/72/88/66/468728866.db2.gz BRRAKALUKHQLNQ-LSDHHAIUSA-N 1 0 346.431 2.245 20 5 EEBDRO COc1ccc(N2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000594965415 468733097 /nfs/dbraw/zinc/73/30/97/468733097.db2.gz HNKNFDUUEQPLBE-AWEZNQCLSA-N 1 0 341.367 2.499 20 5 EEBDRO C[C@H](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597993346 468733971 /nfs/dbraw/zinc/73/39/71/468733971.db2.gz RZIKNVOFGKNXFL-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000559295876 468736422 /nfs/dbraw/zinc/73/64/22/468736422.db2.gz GJDCYBNKGOLVKU-UHFFFAOYSA-N 1 0 338.404 2.355 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598260300 468809290 /nfs/dbraw/zinc/80/92/90/468809290.db2.gz ADBNOLMKFOCUKV-LBPRGKRZSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1ccc(CC(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000560484802 468816582 /nfs/dbraw/zinc/81/65/82/468816582.db2.gz SMRKHECXGLRXAY-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593093282 468867944 /nfs/dbraw/zinc/86/79/44/468867944.db2.gz SNQTYHPQMMVTQN-CYBMUJFWSA-N 1 0 338.408 2.378 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598598244 468927343 /nfs/dbraw/zinc/92/73/43/468927343.db2.gz OQTSDTOOLVGRTB-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[NH2+]C1(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000598632451 468939919 /nfs/dbraw/zinc/93/99/19/468939919.db2.gz DACAFFKQXFNMBK-UHFFFAOYSA-N 1 0 327.388 2.336 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598715950 468970784 /nfs/dbraw/zinc/97/07/84/468970784.db2.gz VXLIXODHBLGQMD-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716099 468971015 /nfs/dbraw/zinc/97/10/15/468971015.db2.gz XJQHLUZWRFZBGO-LLVKDONJSA-N 1 0 329.422 2.007 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cn1)OCCO2 ZINC000602651136 468989120 /nfs/dbraw/zinc/98/91/20/468989120.db2.gz PNBAMWMZWKQNQM-UHFFFAOYSA-N 1 0 329.356 2.436 20 5 EEBDRO CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602697256 469019476 /nfs/dbraw/zinc/01/94/76/469019476.db2.gz NNGSHILHJMXICS-DZGCQCFKSA-N 1 0 336.436 2.345 20 5 EEBDRO C[C@H](CC1CCC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610805415 469076473 /nfs/dbraw/zinc/07/64/73/469076473.db2.gz PCYYOBJUUWYDPH-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814363 469092306 /nfs/dbraw/zinc/09/23/06/469092306.db2.gz DRDFXNMSZMQYLP-INIZCTEOSA-N 1 0 332.404 2.289 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601975101 469121504 /nfs/dbraw/zinc/12/15/04/469121504.db2.gz YFTUGQJYLJRVCV-PHIMTYICSA-N 1 0 327.178 2.436 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593764164 469130224 /nfs/dbraw/zinc/13/02/24/469130224.db2.gz RUAXURXKLLTXEX-ZBEGNZNMSA-N 1 0 334.376 2.196 20 5 EEBDRO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596270356 469228657 /nfs/dbraw/zinc/22/86/57/469228657.db2.gz FLURXMLIGGXFIH-ZDUSSCGKSA-N 1 0 328.372 2.406 20 5 EEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1sccc1[N+](=O)[O-] ZINC000611412044 469244700 /nfs/dbraw/zinc/24/47/00/469244700.db2.gz FJNKWDZMBKHSIJ-GFCCVEGCSA-N 1 0 326.422 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000611780462 469321921 /nfs/dbraw/zinc/32/19/21/469321921.db2.gz BYQGITFRBCIEJX-HZPDHXFCSA-N 1 0 339.823 2.279 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611791141 469324515 /nfs/dbraw/zinc/32/45/15/469324515.db2.gz KNZTWGNGWDQKSC-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO COCCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602512406 469344834 /nfs/dbraw/zinc/34/48/34/469344834.db2.gz AZJSXWHXQUSOGJ-UHFFFAOYSA-N 1 0 331.372 2.347 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000602527380 469350545 /nfs/dbraw/zinc/35/05/45/469350545.db2.gz QAOOGQDJJNIMTA-ZDUSSCGKSA-N 1 0 348.321 2.491 20 5 EEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000618479980 469362722 /nfs/dbraw/zinc/36/27/22/469362722.db2.gz UDCUZSVTXRWZDI-UHFFFAOYSA-N 1 0 343.387 2.075 20 5 EEBDRO Cc1ccc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000602584038 469371834 /nfs/dbraw/zinc/37/18/34/469371834.db2.gz WKSVAVUTDYCHER-MRXNPFEDSA-N 1 0 347.415 2.134 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000603848405 469436358 /nfs/dbraw/zinc/43/63/58/469436358.db2.gz SCGIBRSBCNXDGW-QGZVFWFLSA-N 1 0 349.431 2.290 20 5 EEBDRO CN(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000618822730 469451678 /nfs/dbraw/zinc/45/16/78/469451678.db2.gz KCHADILIERYQQQ-UHFFFAOYSA-N 1 0 330.392 2.089 20 5 EEBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388428 469700973 /nfs/dbraw/zinc/70/09/73/469700973.db2.gz ABVDEMWEDBKVNH-XJKSGUPXSA-N 1 0 343.383 2.288 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000610238250 469990841 /nfs/dbraw/zinc/99/08/41/469990841.db2.gz BPZAAUDXMOXTMS-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO Cn1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1=O ZINC000610371190 470008841 /nfs/dbraw/zinc/00/88/41/470008841.db2.gz RVWACBLIDRHGBW-UHFFFAOYSA-N 1 0 343.383 2.337 20 5 EEBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000430593426 485703486 /nfs/dbraw/zinc/70/34/86/485703486.db2.gz SOHXCTHCLUOTFI-KRWDZBQOSA-N 1 0 325.368 2.488 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000192496935 534888750 /nfs/dbraw/zinc/88/87/50/534888750.db2.gz PLLFADBONLUTKI-NWDGAFQWSA-N 1 0 326.422 2.231 20 5 EEBDRO CC1(C)C[C@H](O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451816472 534898649 /nfs/dbraw/zinc/89/86/49/534898649.db2.gz XGFLHDGIXWFXCL-CVEARBPZSA-N 1 0 347.415 2.183 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451773839 535543198 /nfs/dbraw/zinc/54/31/98/535543198.db2.gz NJMXWJFLRSIXGB-HIFRSBDPSA-N 1 0 349.387 2.163 20 5 EEBDRO CC[NH+]1C[C@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459453747 535780285 /nfs/dbraw/zinc/78/02/85/535780285.db2.gz CNFHSCCMNPWBNJ-KBPBESRZSA-N 1 0 337.420 2.397 20 5 EEBDRO COC[C@]1(C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451203261 536676456 /nfs/dbraw/zinc/67/64/56/536676456.db2.gz PCSYHSXSDXGRAA-DOTOQJQBSA-N 1 0 333.388 2.059 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000725841748 576061664 /nfs/dbraw/zinc/06/16/64/576061664.db2.gz GFKYMBFEXNYAJO-INIZCTEOSA-N 1 0 329.356 2.247 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000747840919 576314103 /nfs/dbraw/zinc/31/41/03/576314103.db2.gz SUHQNPZJKZHHGZ-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO O=C(CN1CCC(CCO)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000730261307 577013214 /nfs/dbraw/zinc/01/32/14/577013214.db2.gz XRJINMHHPZMNAL-UHFFFAOYSA-N 1 0 341.795 2.281 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000776590478 577463561 /nfs/dbraw/zinc/46/35/61/577463561.db2.gz GPNSQXNJSASFLF-QZTJIDSGSA-N 1 0 328.368 2.052 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000777309028 577476429 /nfs/dbraw/zinc/47/64/29/577476429.db2.gz IULJZQMPJNTUTH-HIFRSBDPSA-N 1 0 336.388 2.476 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=S)NCC1CC[NH+](C)CC1 ZINC000760466993 577663349 /nfs/dbraw/zinc/66/33/49/577663349.db2.gz MMCLBTPMQBRXNO-UHFFFAOYSA-N 1 0 336.461 2.243 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760538555 577665144 /nfs/dbraw/zinc/66/51/44/577665144.db2.gz LHOZKLMXVNBILL-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO COCCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000751501852 577754375 /nfs/dbraw/zinc/75/43/75/577754375.db2.gz PNBYENLBLUGIDT-QGZVFWFLSA-N 1 0 346.383 2.443 20 5 EEBDRO C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260996 577882362 /nfs/dbraw/zinc/88/23/62/577882362.db2.gz NHHJVCUNCSPJRN-BXUZGUMPSA-N 1 0 338.795 2.026 20 5 EEBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000744439638 577897860 /nfs/dbraw/zinc/89/78/60/577897860.db2.gz BGDKBGORUQHQSH-OLZOCXBDSA-N 1 0 346.387 2.441 20 5 EEBDRO CCCC(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749679437 577979754 /nfs/dbraw/zinc/97/97/54/577979754.db2.gz VTMXCQTVNSFGQA-INIZCTEOSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000741723718 578123084 /nfs/dbraw/zinc/12/30/84/578123084.db2.gz ZAMIVCCFCIPNAM-KBPBESRZSA-N 1 0 346.431 2.408 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020530395 675014216 /nfs/dbraw/zinc/01/42/16/675014216.db2.gz XXRMOVATHAWYAT-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001021962492 676563563 /nfs/dbraw/zinc/56/35/63/676563563.db2.gz BYPNINQTLOLSRW-BETUJISGSA-N 1 0 334.401 2.045 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001021995024 676573969 /nfs/dbraw/zinc/57/39/69/676573969.db2.gz WAMWABQWNFTFLU-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892176422 678205815 /nfs/dbraw/zinc/20/58/15/678205815.db2.gz UBMSLSJDYDOHTD-CYBMUJFWSA-N 1 0 344.415 2.414 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC000983300616 682215690 /nfs/dbraw/zinc/21/56/90/682215690.db2.gz IESPBUHCSYOZID-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2sccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983652462 683058543 /nfs/dbraw/zinc/05/85/43/683058543.db2.gz CVXAJDZTMNPIJN-DNRKLUKYSA-N 1 0 343.836 2.051 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896542067 685037933 /nfs/dbraw/zinc/03/79/33/685037933.db2.gz BEOJDQVNHDQZKU-GUYCJALGSA-N 1 0 348.447 2.082 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000896979897 686022985 /nfs/dbraw/zinc/02/29/85/686022985.db2.gz RDTYGKYCZRHNCH-HNNXBMFYSA-N 1 0 347.415 2.195 20 5 EEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(F)F)CC1 ZINC000985193306 686070083 /nfs/dbraw/zinc/07/00/83/686070083.db2.gz VSQHFJFFTBDBHE-UHFFFAOYSA-N 1 0 327.331 2.283 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccon2)CC1 ZINC000985279574 686212904 /nfs/dbraw/zinc/21/29/04/686212904.db2.gz AKWHWXSEDTUXHO-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO COc1cc(C[NH2+][C@H]2C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000897356998 687694118 /nfs/dbraw/zinc/69/41/18/687694118.db2.gz BWSYSXFSJYGWRJ-HOMQSWHASA-N 1 0 346.330 2.108 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000989937045 692498902 /nfs/dbraw/zinc/49/89/02/692498902.db2.gz HJVZPKPQBHJLCK-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cc1c(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1Br ZINC001228323697 1186838035 /nfs/dbraw/zinc/83/80/35/1186838035.db2.gz VJANZNYCGPXTTP-GFCCVEGCSA-N 1 0 345.257 2.429 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000794753683 1197921364 /nfs/dbraw/zinc/92/13/64/1197921364.db2.gz WXSUYIQDXJQAGD-LJQANCHMSA-N 1 0 341.411 2.444 20 5 EEBDRO O=C(CC(F)(F)C(F)F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133885994 1199155082 /nfs/dbraw/zinc/15/50/82/1199155082.db2.gz FOABCLJEBURZBC-UHFFFAOYSA-N 1 0 337.273 2.091 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000125478326 1199291761 /nfs/dbraw/zinc/29/17/61/1199291761.db2.gz COPHSDQISZEZHU-UHFFFAOYSA-N 1 0 349.840 2.175 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC001134277695 1199443264 /nfs/dbraw/zinc/44/32/64/1199443264.db2.gz NYAOGLYMGTXUMZ-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000810843461 1199775807 /nfs/dbraw/zinc/77/58/07/1199775807.db2.gz FWGRLBDONSDWES-YPMHNXCESA-N 1 0 348.355 2.150 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cccnc3)CC2)cn1 ZINC000876923328 1199819881 /nfs/dbraw/zinc/81/98/81/1199819881.db2.gz UGTVOLGGQGKMSJ-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000877125575 1199866153 /nfs/dbraw/zinc/86/61/53/1199866153.db2.gz PPZCSABHRJKEPY-AEFFLSMTSA-N 1 0 330.384 2.212 20 5 EEBDRO O=C(Cc1ccc(F)c(F)c1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133042565 1200345417 /nfs/dbraw/zinc/34/54/17/1200345417.db2.gz IXMFFOYSKVOHAW-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812342965 1200670859 /nfs/dbraw/zinc/67/08/59/1200670859.db2.gz OCQIMTWBAZNWOR-CABCVRRESA-N 1 0 346.431 2.197 20 5 EEBDRO C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000866058976 1201417510 /nfs/dbraw/zinc/41/75/10/1201417510.db2.gz ISICWHGWMWGEQM-LLVKDONJSA-N 1 0 325.384 2.369 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880297648 1201450071 /nfs/dbraw/zinc/45/00/71/1201450071.db2.gz OVEIGUBZBYBSSG-NSHDSACASA-N 1 0 325.340 2.223 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCCOC1 ZINC000866384413 1201504697 /nfs/dbraw/zinc/50/46/97/1201504697.db2.gz KXUNSWBURFPWJO-LRDDRELGSA-N 1 0 326.368 2.186 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121162525 1201577676 /nfs/dbraw/zinc/57/76/76/1201577676.db2.gz BFJCOPJNJYRDJE-ZDUSSCGKSA-N 1 0 345.403 2.188 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866810102 1201610309 /nfs/dbraw/zinc/61/03/09/1201610309.db2.gz OYKFHCFOSQZVKS-UHFFFAOYSA-N 1 0 336.797 2.217 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469405 1201704919 /nfs/dbraw/zinc/70/49/19/1201704919.db2.gz KNEMLGVVMYHAPG-GFCCVEGCSA-N 1 0 339.417 2.030 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000129656731 1201870777 /nfs/dbraw/zinc/87/07/77/1201870777.db2.gz QNTVLMLXTGVDRW-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000025557012 1201927803 /nfs/dbraw/zinc/92/78/03/1201927803.db2.gz ZJSBRDQMRXNTSQ-IBGZPJMESA-N 1 0 341.411 2.320 20 5 EEBDRO Nc1c(F)c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726003 1201928866 /nfs/dbraw/zinc/92/88/66/1201928866.db2.gz HGQZXYKICIDNNM-LBPRGKRZSA-N 1 0 338.383 2.054 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929269862 1206461278 /nfs/dbraw/zinc/46/12/78/1206461278.db2.gz LZHXLGRRMJUDAL-QGZVFWFLSA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114775772 1215278939 /nfs/dbraw/zinc/27/89/39/1215278939.db2.gz HOOBPOYTWUQBPJ-HDJSIYSDSA-N 1 0 334.420 2.242 20 5 EEBDRO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1C ZINC001020029562 1229448716 /nfs/dbraw/zinc/44/87/16/1229448716.db2.gz GAOHHMMDRVPGRJ-HAQNSBGRSA-N 1 0 349.416 2.047 20 5 EEBDRO CCc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001020093790 1229481192 /nfs/dbraw/zinc/48/11/92/1229481192.db2.gz JFSIZTZDRKBPTL-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001045436160 1233744312 /nfs/dbraw/zinc/74/43/12/1233744312.db2.gz KRSKPIPOVUAUOF-QQQVMXRDSA-N 1 0 343.427 2.336 20 5 EEBDRO Cc1cccc(C)c1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436123 1233744376 /nfs/dbraw/zinc/74/43/76/1233744376.db2.gz IRMSGQXVNXRBEK-NVXWUHKLSA-N 1 0 345.443 2.439 20 5 EEBDRO O=C(NCC1=CC[N@H+](C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669197 1240697118 /nfs/dbraw/zinc/69/71/18/1240697118.db2.gz GVVMIWBHMJWLMY-SJJKRXNQSA-N 1 0 341.411 2.113 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001097075121 1243662491 /nfs/dbraw/zinc/66/24/91/1243662491.db2.gz ISSBPGUVFYOBLV-HDJSIYSDSA-N 1 0 346.431 2.447 20 5 EEBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001101228506 1245544153 /nfs/dbraw/zinc/54/41/53/1245544153.db2.gz CIODJTXDOJUEGK-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101350591 1245698767 /nfs/dbraw/zinc/69/87/67/1245698767.db2.gz UUHGYBYHJRPTRQ-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1cc(N(CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001101352522 1245701995 /nfs/dbraw/zinc/70/19/95/1245701995.db2.gz FOXPIRHSSNYZQH-UHFFFAOYSA-N 1 0 348.447 2.328 20 5 EEBDRO CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001101811318 1246207441 /nfs/dbraw/zinc/20/74/41/1246207441.db2.gz ULBVAANRNYYYCF-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000827495943 1248225311 /nfs/dbraw/zinc/22/53/11/1248225311.db2.gz ATLMGARCBPZIBC-CABCVRRESA-N 1 0 328.372 2.418 20 5 EEBDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850562886 1277265894 /nfs/dbraw/zinc/26/58/94/1277265894.db2.gz PWYZBUWOTBTZMI-YVEFUNNKSA-N 1 0 337.420 2.395 20 5 EEBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104148271 1284917346 /nfs/dbraw/zinc/91/73/46/1284917346.db2.gz NQRUGDVJMUWEGQ-AAEUAGOBSA-N 1 0 334.420 2.336 20 5 EEBDRO C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000867316580 1285631296 /nfs/dbraw/zinc/63/12/96/1285631296.db2.gz PRBLHICKUKFYFD-ZDUSSCGKSA-N 1 0 341.433 2.061 20 5 EEBDRO COCCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199504074 1285683009 /nfs/dbraw/zinc/68/30/09/1285683009.db2.gz NHWABGSWCHYISE-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO COc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])cc1C ZINC000853340789 1292358562 /nfs/dbraw/zinc/35/85/62/1292358562.db2.gz IWCKTPHBNYNAHF-OAHLLOKOSA-N 1 0 348.447 2.128 20 5 EEBDRO Cc1noc(COC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000853926753 1292532750 /nfs/dbraw/zinc/53/27/50/1292532750.db2.gz PQHXVFJTBQCFNI-CQSZACIVSA-N 1 0 345.355 2.457 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)ccc1F ZINC001215883062 1297009176 /nfs/dbraw/zinc/00/91/76/1297009176.db2.gz KCHJCUCROPNHES-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2C[NH2+]Cc3ccccc32)[nH]1 ZINC001218485322 1297676863 /nfs/dbraw/zinc/67/68/63/1297676863.db2.gz HQOHBPPPRDXPIH-HNNXBMFYSA-N 1 0 338.323 2.467 20 5 EEBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218979396 1297892463 /nfs/dbraw/zinc/89/24/63/1297892463.db2.gz GKLITKKAZRBLIS-AFAVFJNCSA-N 1 0 348.406 2.489 20 5 EEBDRO CC1CC[NH+](CC(=O)N(C)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001101740181 1299780173 /nfs/dbraw/zinc/78/01/73/1299780173.db2.gz XFAXCUCDUQBSJW-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001222761315 1299836098 /nfs/dbraw/zinc/83/60/98/1299836098.db2.gz MXWUQJXJAAFTOA-DIECFANBSA-N 1 0 334.372 2.278 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001102017150 1300146005 /nfs/dbraw/zinc/14/60/05/1300146005.db2.gz HOHLKZMFQXUHLI-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc(-c2ccccc2)cs1 ZINC001223517905 1300162538 /nfs/dbraw/zinc/16/25/38/1300162538.db2.gz MKRXHXAWDMDYPY-CQSZACIVSA-N 1 0 335.449 2.311 20 5 EEBDRO O=c1ccc2[n+]([O-])c3ccc(O[C@H]4C[NH+]5CCC4CC5)cc3oc-2c1 ZINC001227449138 1301832491 /nfs/dbraw/zinc/83/24/91/1301832491.db2.gz MJYWXXPEYOOVSZ-IBGZPJMESA-N 1 0 338.363 2.004 20 5 EEBDRO O=[N+]([O-])c1cnc(OC2CCN(c3cc[nH+]cc3)CC2)c2[nH]cnc21 ZINC001227690036 1301930515 /nfs/dbraw/zinc/93/05/15/1301930515.db2.gz DXTIHALPUOVQHS-UHFFFAOYSA-N 1 0 340.343 2.309 20 5 EEBDRO Cc1cc(Br)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001229800739 1302949801 /nfs/dbraw/zinc/94/98/01/1302949801.db2.gz VFPHVXKOGJXIHF-GFCCVEGCSA-N 1 0 345.257 2.429 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC001103642793 1303181727 /nfs/dbraw/zinc/18/17/27/1303181727.db2.gz ZBWDVFLHHSSCBS-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO Cc1c(I)ccnc1O[C@H](C)C[N+](C)(C)C ZINC001234254788 1304823936 /nfs/dbraw/zinc/82/39/36/1304823936.db2.gz HICGYFWKUCYLRE-SECBINFHSA-N 1 0 335.209 2.468 20 5 EEBDRO COCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001115368076 1304994445 /nfs/dbraw/zinc/99/44/45/1304994445.db2.gz DNIDBAJXPSRFCQ-UHFFFAOYSA-N 1 0 341.433 2.211 20 5 EEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001116850801 1305924013 /nfs/dbraw/zinc/92/40/13/1305924013.db2.gz VFJJSPYHLAYUQB-DZGCQCFKSA-N 1 0 349.387 2.163 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117749714 1306161222 /nfs/dbraw/zinc/16/12/22/1306161222.db2.gz ACYWORWTGLDRRP-OLZOCXBDSA-N 1 0 334.420 2.476 20 5 EEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001123453907 1310577654 /nfs/dbraw/zinc/57/76/54/1310577654.db2.gz RDJZTZSBFTVTEH-OAHLLOKOSA-N 1 0 348.403 2.278 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001162736681 1320944734 /nfs/dbraw/zinc/94/47/34/1320944734.db2.gz AGBQJOOXISXBLQ-CYBMUJFWSA-N 1 0 349.391 2.014 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000829243740 1314492562 /nfs/dbraw/zinc/49/25/62/1314492562.db2.gz JUNUDGOECJGFLI-CYBMUJFWSA-N 1 0 346.431 2.408 20 5 EEBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839704946 1315235528 /nfs/dbraw/zinc/23/55/28/1315235528.db2.gz CYOMRTJEEHFYHX-HZPDHXFCSA-N 1 0 333.388 2.155 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841857404 1315625136 /nfs/dbraw/zinc/62/51/36/1315625136.db2.gz YANBVXPJVRXLKR-KOLCDFICSA-N 1 0 326.784 2.188 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841858812 1315625554 /nfs/dbraw/zinc/62/55/54/1315625554.db2.gz VEUZTQYBNJNRAI-QMTHXVAHSA-N 1 0 338.795 2.142 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476505 1315712948 /nfs/dbraw/zinc/71/29/48/1315712948.db2.gz QCEXVGXPBKKWTQ-IQMDTDKHSA-N 1 0 340.811 2.163 20 5 EEBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@@H]4CCC[NH2+]C4)no3)n2)c1 ZINC000842667714 1315750506 /nfs/dbraw/zinc/75/05/06/1315750506.db2.gz KCEDGNGCRSPTCH-LLVKDONJSA-N 1 0 340.343 2.298 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000842707975 1315758757 /nfs/dbraw/zinc/75/87/57/1315758757.db2.gz NKBMVQOWGQXZSA-UHFFFAOYSA-N 1 0 349.840 2.223 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000843073989 1315835485 /nfs/dbraw/zinc/83/54/85/1315835485.db2.gz KRMNYBAMSWMCIN-GOPGUHFVSA-N 1 0 334.347 2.479 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(F)cc1 ZINC000843076332 1315835768 /nfs/dbraw/zinc/83/57/68/1315835768.db2.gz YNROWRAKIMOPSE-GOPGUHFVSA-N 1 0 334.347 2.479 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000843094364 1315840572 /nfs/dbraw/zinc/84/05/72/1315840572.db2.gz JHVUIFKDBKQEGF-MJGOQNOKSA-N 1 0 344.411 2.438 20 5 EEBDRO Cc1nc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1[C@@H](C)O ZINC000843105445 1315843540 /nfs/dbraw/zinc/84/35/40/1315843540.db2.gz FONGPXAAPYJNAZ-PXAZEXFGSA-N 1 0 331.372 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000843118560 1315847484 /nfs/dbraw/zinc/84/74/84/1315847484.db2.gz MIRGNTQKGUYXRZ-OTWHNJEPSA-N 1 0 342.395 2.384 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@H]([NH3+])C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000843150595 1315855851 /nfs/dbraw/zinc/85/58/51/1315855851.db2.gz KJUNQSCFHPKTFL-GFCCVEGCSA-N 1 0 334.332 2.477 20 5 EEBDRO [NH3+]CC1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000843344153 1315894627 /nfs/dbraw/zinc/89/46/27/1315894627.db2.gz QBJKTBBRQODWPE-UHFFFAOYSA-N 1 0 329.759 2.318 20 5 EEBDRO C[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C[NH3+] ZINC000843351112 1315897025 /nfs/dbraw/zinc/89/70/25/1315897025.db2.gz GYPQEBUZLLRMCQ-XHDPSFHLSA-N 1 0 338.383 2.122 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843354795 1315897956 /nfs/dbraw/zinc/89/79/56/1315897956.db2.gz ODBIFEZMMUZVQJ-ZDUSSCGKSA-N 1 0 342.827 2.492 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000843468494 1315919854 /nfs/dbraw/zinc/91/98/54/1315919854.db2.gz UTKBTPWMJSUUSR-SNVBAGLBSA-N 1 0 329.759 2.188 20 5 EEBDRO CCc1nc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC001152311074 1316656078 /nfs/dbraw/zinc/65/60/78/1316656078.db2.gz SWHTWIDXBICKRF-UHFFFAOYSA-N 1 0 348.428 2.062 20 5 EEBDRO O=C(Cc1cccs1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154194991 1316989561 /nfs/dbraw/zinc/98/95/61/1316989561.db2.gz MWIZRHMCNIGVJU-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO O=C(Cc1ccsc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154304459 1317057389 /nfs/dbraw/zinc/05/73/89/1317057389.db2.gz MYCPCIOYJYDZRL-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO C[NH+]1CCN(c2cccc3[nH]c(CCC(C)(C)[N+](=O)[O-])nc32)CC1 ZINC001250596764 1317277784 /nfs/dbraw/zinc/27/77/84/1317277784.db2.gz HMZJOBXKACXMLH-UHFFFAOYSA-N 1 0 331.420 2.303 20 5 EEBDRO CC(C)SCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154796725 1317319766 /nfs/dbraw/zinc/31/97/66/1317319766.db2.gz REUAGMPJDBSBBB-UHFFFAOYSA-N 1 0 331.463 2.394 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c2ccccc21 ZINC001155477954 1317614620 /nfs/dbraw/zinc/61/46/20/1317614620.db2.gz PHJZSVRGIHJPIM-GFCCVEGCSA-N 1 0 328.372 2.324 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155561726 1317652560 /nfs/dbraw/zinc/65/25/60/1317652560.db2.gz ONYVOYANTIWRGV-LBPRGKRZSA-N 1 0 348.384 2.484 20 5 EEBDRO Cc1cccnc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156349720 1317973960 /nfs/dbraw/zinc/97/39/60/1317973960.db2.gz QXHZKAAIGKJJKO-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO Cc1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001254465055 1318080472 /nfs/dbraw/zinc/08/04/72/1318080472.db2.gz RZWKKJGUOXKLBO-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO COc1nccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254468276 1318081456 /nfs/dbraw/zinc/08/14/56/1318081456.db2.gz JHVRMOFNVBAGJJ-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](CO)C[C@H](F)C3)CC2)cc1 ZINC001254475236 1318082951 /nfs/dbraw/zinc/08/29/51/1318082951.db2.gz CUCHJLREJMCFKQ-KGLIPLIRSA-N 1 0 337.395 2.216 20 5 EEBDRO Cc1cnc(N(Cc2ccccc2)C2(C[NH3+])COC2)c([N+](=O)[O-])c1 ZINC001156628329 1318118460 /nfs/dbraw/zinc/11/84/60/1318118460.db2.gz NWYMQHSAATXBCN-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001254571376 1318126160 /nfs/dbraw/zinc/12/61/60/1318126160.db2.gz UBSXVCYTLCGTAQ-ZDUSSCGKSA-N 1 0 334.420 2.261 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(OC)n1 ZINC001254584580 1318132516 /nfs/dbraw/zinc/13/25/16/1318132516.db2.gz HVWPRGZEGMKQCX-AWEZNQCLSA-N 1 0 329.356 2.264 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CC1 ZINC001254597458 1318138774 /nfs/dbraw/zinc/13/87/74/1318138774.db2.gz DWZAXGISLTWMEL-KRWDZBQOSA-N 1 0 329.400 2.053 20 5 EEBDRO CN1CCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1=O ZINC001254606840 1318141862 /nfs/dbraw/zinc/14/18/62/1318141862.db2.gz IIAXYKNQHJZDLW-MRXNPFEDSA-N 1 0 329.400 2.006 20 5 EEBDRO CCC(=O)N(C)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606096 1318142057 /nfs/dbraw/zinc/14/20/57/1318142057.db2.gz DOSOHKIJXWSDHF-QGZVFWFLSA-N 1 0 331.416 2.395 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156928718 1318295705 /nfs/dbraw/zinc/29/57/05/1318295705.db2.gz OPDIAZAWTUPPFR-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(-n2nc(C3CC[NH2+]CC3)c3ccccc32)n1 ZINC001157377469 1318588527 /nfs/dbraw/zinc/58/85/27/1318588527.db2.gz JLQNFRWHOJMMET-UHFFFAOYSA-N 1 0 338.371 2.499 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)cc2C1 ZINC001157979847 1318957229 /nfs/dbraw/zinc/95/72/29/1318957229.db2.gz KPPNLIYTKJFIJI-SECBINFHSA-N 1 0 344.762 2.193 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N3CCO[C@@H](C[NH+]4CCCC4)C3)nc21 ZINC001158309396 1319163931 /nfs/dbraw/zinc/16/39/31/1319163931.db2.gz JNKGKQMVXYSELD-HNNXBMFYSA-N 1 0 342.399 2.444 20 5 EEBDRO COc1cnc(N(c2ccncc2F)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001158339711 1319184912 /nfs/dbraw/zinc/18/49/12/1319184912.db2.gz JBPVLEFSHKYFSB-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO C[C@@H]([NH3+])c1ccn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)n1 ZINC001158357359 1319196536 /nfs/dbraw/zinc/19/65/36/1319196536.db2.gz ZOCBLGZQHDMXKQ-SECBINFHSA-N 1 0 328.307 2.396 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)O1 ZINC001159240031 1319700504 /nfs/dbraw/zinc/70/05/04/1319700504.db2.gz LOTMFZPMBHGYHI-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO O=C(NCCC1=CC[N@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107796 1320071646 /nfs/dbraw/zinc/07/16/46/1320071646.db2.gz TUPRFBNJTJZDGQ-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108862 1320072357 /nfs/dbraw/zinc/07/23/57/1320072357.db2.gz ZRNTYEUFIIKWHG-UHFFFAOYSA-N 1 0 348.794 2.060 20 5 EEBDRO [NH3+]C[C@@]1(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160509869 1320179902 /nfs/dbraw/zinc/17/99/02/1320179902.db2.gz BWSUPJRMVXECGC-CYBMUJFWSA-N 1 0 346.218 2.132 20 5 EEBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)c1 ZINC001161193689 1320415964 /nfs/dbraw/zinc/41/59/64/1320415964.db2.gz XTNCRESXOICUCK-AWEZNQCLSA-N 1 0 343.387 2.388 20 5 EEBDRO Cc1nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161357932 1320472493 /nfs/dbraw/zinc/47/24/93/1320472493.db2.gz IDBBAPNVRZGUFP-JOCQHMNTSA-N 1 0 328.376 2.496 20 5 EEBDRO Cc1cccc(C(C)(C)CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001161644392 1320568159 /nfs/dbraw/zinc/56/81/59/1320568159.db2.gz UVMUZCNBIGRXTE-UHFFFAOYSA-N 1 0 342.403 2.165 20 5 EEBDRO C[NH+]1CCN(CCCNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001161703998 1320594800 /nfs/dbraw/zinc/59/48/00/1320594800.db2.gz WDGBVCFCMRGSRC-UHFFFAOYSA-N 1 0 335.452 2.337 20 5 EEBDRO Cc1ccc2c(ccnc2N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162094101 1320746835 /nfs/dbraw/zinc/74/68/35/1320746835.db2.gz YTUPFXPQOIUQIV-ZDUSSCGKSA-N 1 0 329.404 2.157 20 5 EEBDRO CC(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810780 1320965532 /nfs/dbraw/zinc/96/55/32/1320965532.db2.gz PNKQEJZGYAATKO-QZTJIDSGSA-N 1 0 347.459 2.359 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)cc1 ZINC001163051803 1321023879 /nfs/dbraw/zinc/02/38/79/1321023879.db2.gz CIUULDUSXDLWBF-LLVKDONJSA-N 1 0 327.344 2.249 20 5 EEBDRO COc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cnc1[N+](=O)[O-] ZINC001163062830 1321026562 /nfs/dbraw/zinc/02/65/62/1321026562.db2.gz CSHODKIYPCCHGO-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163218668 1321070227 /nfs/dbraw/zinc/07/02/27/1321070227.db2.gz JQYPWZLNKQCRDO-CJNGLKHVSA-N 1 0 342.355 2.292 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163269382 1321082631 /nfs/dbraw/zinc/08/26/31/1321082631.db2.gz JVQRQIXDDCUTNH-MEDUHNTESA-N 1 0 331.376 2.042 20 5 EEBDRO Nc1cc(-n2c3ccccc3nc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001163762376 1321211779 /nfs/dbraw/zinc/21/17/79/1321211779.db2.gz CQYPGUOZAGUULM-UHFFFAOYSA-N 1 0 338.371 2.378 20 5 EEBDRO Cc1cccc(C)c1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164491011 1321395262 /nfs/dbraw/zinc/39/52/62/1321395262.db2.gz WZCMUHSZQKKOJO-NVXWUHKLSA-N 1 0 345.443 2.345 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC001164608976 1321434161 /nfs/dbraw/zinc/43/41/61/1321434161.db2.gz ZEAATESFKLFGHA-ZDUSSCGKSA-N 1 0 347.806 2.368 20 5 EEBDRO CN(C)/C=C\c1cc(N2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001165091437 1321453509 /nfs/dbraw/zinc/45/35/09/1321453509.db2.gz UKJCDHNIJNORFO-SREVYHEPSA-N 1 0 333.436 2.443 20 5 EEBDRO C[NH+]1C[C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@H]2C1 ZINC001165152587 1321466564 /nfs/dbraw/zinc/46/65/64/1321466564.db2.gz YXNMCOHFQPDBSJ-NXEZZACHSA-N 1 0 333.779 2.189 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1conc1C1CC1 ZINC001166432733 1321719029 /nfs/dbraw/zinc/71/90/29/1321719029.db2.gz LTOLWZYYJSHHKD-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO C[NH2+]Cc1cccc(Nc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])c1 ZINC001167034599 1321843752 /nfs/dbraw/zinc/84/37/52/1321843752.db2.gz KIZMEGXKCULQMM-UHFFFAOYSA-N 1 0 330.348 2.115 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC(C)C ZINC001306696555 1331484822 /nfs/dbraw/zinc/48/48/22/1331484822.db2.gz QKAOQWBCSKMGLU-GFCCVEGCSA-N 1 0 338.408 2.182 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C1 ZINC001318906630 1332621406 /nfs/dbraw/zinc/62/14/06/1332621406.db2.gz MMXHTIUJYIXIHU-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001326199412 1334042021 /nfs/dbraw/zinc/04/20/21/1334042021.db2.gz IWFBJXJGEFNYCI-INIZCTEOSA-N 1 0 335.404 2.055 20 5 EEBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001331377379 1335005214 /nfs/dbraw/zinc/00/52/14/1335005214.db2.gz GYIBMRIHKQVPNX-CYBMUJFWSA-N 1 0 347.396 2.452 20 5 EEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC001331599524 1335043733 /nfs/dbraw/zinc/04/37/33/1335043733.db2.gz DZXFRQCDFJDUFM-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001332701025 1335886434 /nfs/dbraw/zinc/88/64/34/1335886434.db2.gz UBKMSUBWPOXAOG-SNVBAGLBSA-N 1 0 328.210 2.493 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC001333502970 1336059812 /nfs/dbraw/zinc/05/98/12/1336059812.db2.gz SSWCAWCOMQMJTR-QWHCGFSZSA-N 1 0 342.396 2.243 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC001335345351 1336365751 /nfs/dbraw/zinc/36/57/51/1336365751.db2.gz KUMZTAKOJJSIDP-UHFFFAOYSA-N 1 0 349.412 2.070 20 5 EEBDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001335674001 1336410824 /nfs/dbraw/zinc/41/08/24/1336410824.db2.gz QJMVTSWWECELAB-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC001338462775 1336863927 /nfs/dbraw/zinc/86/39/27/1336863927.db2.gz SIHZAFBJARVZRD-QGZVFWFLSA-N 1 0 342.399 2.413 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001341799156 1337299659 /nfs/dbraw/zinc/29/96/59/1337299659.db2.gz TXNOCNDVXKHAQT-WOPDTQHZSA-N 1 0 331.294 2.094 20 5 EEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968027 1344324782 /nfs/dbraw/zinc/32/47/82/1344324782.db2.gz CONRGIDLKZHJRW-KGLIPLIRSA-N 1 0 343.391 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001579733937 1344410382 /nfs/dbraw/zinc/41/03/82/1344410382.db2.gz FZTHBUVHTJHZJY-DYVFJYSZSA-N 1 0 332.404 2.045 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590260625 1349233779 /nfs/dbraw/zinc/23/37/79/1349233779.db2.gz QLMNXKIJBCOLEY-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001604679193 1350982862 /nfs/dbraw/zinc/98/28/62/1350982862.db2.gz IKYIUYMBVVDICV-QWRGUYRKSA-N 1 0 331.380 2.060 20 5 EEBDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850429510 1367141653 /nfs/dbraw/zinc/14/16/53/1367141653.db2.gz FWQLNMKBLKBSFO-VXGBXAGGSA-N 1 0 337.376 2.485 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569273 1368037757 /nfs/dbraw/zinc/03/77/57/1368037757.db2.gz MWCWFHYRZMOYAF-NSHDSACASA-N 1 0 329.360 2.251 20 5 EEBDRO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853510042 1369341567 /nfs/dbraw/zinc/34/15/67/1369341567.db2.gz IMAXPRXRYSBWFL-CYBMUJFWSA-N 1 0 337.420 2.193 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001121699403 1371916475 /nfs/dbraw/zinc/91/64/75/1371916475.db2.gz JWAMDXQAPMDJNW-VXGBXAGGSA-N 1 0 348.407 2.385 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000829965335 1372303880 /nfs/dbraw/zinc/30/38/80/1372303880.db2.gz PPABOIJGGICVCP-SJORKVTESA-N 1 0 340.383 2.476 20 5 EEBDRO C[N@H+](CCCCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000839439974 1372901881 /nfs/dbraw/zinc/90/18/81/1372901881.db2.gz WZGHZMYKXRARFO-UHFFFAOYSA-N 1 0 327.331 2.477 20 5 EEBDRO CC[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581070 1373159085 /nfs/dbraw/zinc/15/90/85/1373159085.db2.gz LEZIXHGJVBLOIX-LLVKDONJSA-N 1 0 343.330 2.024 20 5 EEBDRO CN(CCNC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1[N+](=O)[O-] ZINC001100415807 1410653255 /nfs/dbraw/zinc/65/32/55/1410653255.db2.gz GOJPGEITWVPWQQ-UHFFFAOYSA-N 1 0 339.355 2.109 20 5 EEBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C)CC1 ZINC001112100537 769709668 /nfs/dbraw/zinc/70/96/68/769709668.db2.gz SXRIJSGNRMYDRE-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO C[C@@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000921434972 773369757 /nfs/dbraw/zinc/36/97/57/773369757.db2.gz SAWINLYTUKPPDE-HSMVNMDESA-N 1 0 332.404 2.438 20 5 EEBDRO [NH3+][C@H]1CCN[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212331113 775872424 /nfs/dbraw/zinc/87/24/24/775872424.db2.gz LUWCNFVYPLRWCQ-BLLLJJGKSA-N 1 0 332.367 2.195 20 5 EEBDRO O=C(c1cocn1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997601150 790399433 /nfs/dbraw/zinc/39/94/33/790399433.db2.gz ISNOLRJGLSRHIW-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000846694147 790419156 /nfs/dbraw/zinc/41/91/56/790419156.db2.gz NFQGHYGAIAOXIE-IINYFYTJSA-N 1 0 336.348 2.093 20 5 EEBDRO Cc1c(C(=O)N2CCC(CC[NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846699270 790437142 /nfs/dbraw/zinc/43/71/42/790437142.db2.gz LZEFIPUJLUOUCK-UHFFFAOYSA-N 1 0 336.348 2.012 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091361031 790439832 /nfs/dbraw/zinc/43/98/32/790439832.db2.gz DAESEHPLWVDQRR-OKILXGFUSA-N 1 0 349.435 2.028 20 5 EEBDRO [NH3+]CCc1cn(-c2ncnc(Cl)c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167984573 781369040 /nfs/dbraw/zinc/36/90/40/781369040.db2.gz RCRGDOFZXFXUIR-UHFFFAOYSA-N 1 0 333.735 2.189 20 5 EEBDRO CC1(C)CC(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)C1 ZINC001035187482 784065597 /nfs/dbraw/zinc/06/55/97/784065597.db2.gz UNBJRVXBRZOGBG-HZPDHXFCSA-N 1 0 349.475 2.402 20 5 EEBDRO CC(C)c1nnsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135620167 784067300 /nfs/dbraw/zinc/06/73/00/784067300.db2.gz MTKDSNPFSICULA-UHFFFAOYSA-N 1 0 349.416 2.089 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000818007041 785162660 /nfs/dbraw/zinc/16/26/60/785162660.db2.gz WVNIPTNNMPHPLY-UHFFFAOYSA-N 1 0 347.400 2.353 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000818487470 785265999 /nfs/dbraw/zinc/26/59/99/785265999.db2.gz UQPFEIQEWVMTRR-NSHDSACASA-N 1 0 347.749 2.451 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818518099 785268769 /nfs/dbraw/zinc/26/87/69/785268769.db2.gz CPDJTPAKZUJMBN-LKFCYVNXSA-N 1 0 336.348 2.011 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C[NH+]1CCCC1 ZINC000909028614 785937218 /nfs/dbraw/zinc/93/72/18/785937218.db2.gz DPGXWPLLNRNGCX-AWEZNQCLSA-N 1 0 327.812 2.137 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CCC[NH+](C)C)c1 ZINC001107474014 787346658 /nfs/dbraw/zinc/34/66/58/787346658.db2.gz JRUHHDCZZQGIBX-PLNGDYQASA-N 1 0 334.420 2.329 20 5 EEBDRO O=C(NC/C=C/CNc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC001107592478 787799942 /nfs/dbraw/zinc/79/99/42/787799942.db2.gz GRRCMBHKFZHFIL-OWOJBTEDSA-N 1 0 344.415 2.308 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000825188849 788513626 /nfs/dbraw/zinc/51/36/26/788513626.db2.gz QHXHDZBEDYAALJ-KGLIPLIRSA-N 1 0 346.431 2.442 20 5 EEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825394331 788609271 /nfs/dbraw/zinc/60/92/71/788609271.db2.gz ZJFALDSQTWSSCS-CJNGLKHVSA-N 1 0 349.431 2.255 20 5 EEBDRO CSCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997512574 790130332 /nfs/dbraw/zinc/13/03/32/790130332.db2.gz KJGQCSFGXNHZDW-UHFFFAOYSA-N 1 0 337.445 2.286 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001168602304 791228796 /nfs/dbraw/zinc/22/87/96/791228796.db2.gz KFUCILODLCISCQ-JSGCOSHPSA-N 1 0 341.433 2.283 20 5 EEBDRO O=C(c1cnco1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997950856 791741031 /nfs/dbraw/zinc/74/10/31/791741031.db2.gz CHOIQBTWFPRHTJ-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090463497 794745294 /nfs/dbraw/zinc/74/52/94/794745294.db2.gz IITZYUPVZLUHDY-FZMZJTMJSA-N 1 0 341.433 2.387 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089951063 795387291 /nfs/dbraw/zinc/38/72/91/795387291.db2.gz WRISTSRMVHMCQG-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093752790 795658348 /nfs/dbraw/zinc/65/83/48/795658348.db2.gz FBCWFKCQLOJAQI-UHFFFAOYSA-N 1 0 347.350 2.037 20 5 EEBDRO Cc1nc(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001093888921 795767318 /nfs/dbraw/zinc/76/73/18/795767318.db2.gz HQNSFWLXQVWLNN-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(COc1ccccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171889798 796784161 /nfs/dbraw/zinc/78/41/61/796784161.db2.gz FHBLMSCWWVNICD-UHFFFAOYSA-N 1 0 343.383 2.270 20 5 EEBDRO CSCC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172901324 797129905 /nfs/dbraw/zinc/12/99/05/797129905.db2.gz HEDYVMDLQVYULZ-HIFRSBDPSA-N 1 0 337.445 2.039 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@]3(CCOC3)C1)CC2 ZINC001172903656 797131314 /nfs/dbraw/zinc/13/13/14/797131314.db2.gz IHTAFDWNKBJPGU-AEFFLSMTSA-N 1 0 332.400 2.334 20 5 EEBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910937 797169694 /nfs/dbraw/zinc/16/96/94/797169694.db2.gz DWNDROZNMSGSCM-CQSZACIVSA-N 1 0 330.388 2.427 20 5 EEBDRO CC(=O)N1CCC2(C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C1 ZINC001172911311 797170216 /nfs/dbraw/zinc/17/02/16/797170216.db2.gz SEUXQIQFJRMECZ-KRWDZBQOSA-N 1 0 343.427 2.396 20 5 EEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173182403 797280455 /nfs/dbraw/zinc/28/04/55/797280455.db2.gz ROTPVNMUMVSQJD-WDEREUQCSA-N 1 0 340.351 2.168 20 5 EEBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000922327796 800601611 /nfs/dbraw/zinc/60/16/11/800601611.db2.gz HSLJRQJNZVKEBC-DTZQCDIJSA-N 1 0 340.445 2.253 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001110266032 801085893 /nfs/dbraw/zinc/08/58/93/801085893.db2.gz IZLLUFNVFHUANL-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000922621544 801520216 /nfs/dbraw/zinc/52/02/16/801520216.db2.gz DREMFXKVYUQHMT-UHFFFAOYSA-N 1 0 336.388 2.041 20 5 EEBDRO CCSCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155082757 801678087 /nfs/dbraw/zinc/67/80/87/801678087.db2.gz ZBCXYTSFCGZEGV-UHFFFAOYSA-N 1 0 325.434 2.334 20 5 EEBDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992004 803559850 /nfs/dbraw/zinc/55/98/50/803559850.db2.gz IZDJEKMVOATEMZ-ZFWWWQNUSA-N 1 0 325.453 2.449 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)C1 ZINC001168998045 803564113 /nfs/dbraw/zinc/56/41/13/803564113.db2.gz HQMDFEONNVEAGC-UONOGXRCSA-N 1 0 335.404 2.174 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169007100 803568628 /nfs/dbraw/zinc/56/86/28/803568628.db2.gz KZYTWYALXMYFFH-YYFQZIEXSA-N 1 0 339.436 2.134 20 5 EEBDRO O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990394 803573849 /nfs/dbraw/zinc/57/38/49/803573849.db2.gz CGQGXTRWQRFJLS-MJBXVCDLSA-N 1 0 335.379 2.075 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001169018992 803587279 /nfs/dbraw/zinc/58/72/79/803587279.db2.gz FYGIIMCYXRMEMC-LAVFITLUSA-N 1 0 330.432 2.176 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169057881 803598215 /nfs/dbraw/zinc/59/82/15/803598215.db2.gz YNQKHLSZLPKPLN-SVGFKBNWSA-N 1 0 332.400 2.320 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790670211 808855082 /nfs/dbraw/zinc/85/50/82/808855082.db2.gz WOTWUYJTBCWKLU-SNVBAGLBSA-N 1 0 343.786 2.388 20 5 EEBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170296778 809869961 /nfs/dbraw/zinc/86/99/61/809869961.db2.gz IGRJUEIVDOOCOT-OLZOCXBDSA-N 1 0 337.420 2.381 20 5 EEBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170277106 809875493 /nfs/dbraw/zinc/87/54/93/809875493.db2.gz MQQHCLBJOVURHP-BZUAXINKSA-N 1 0 339.392 2.130 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170306197 809883989 /nfs/dbraw/zinc/88/39/89/809883989.db2.gz RLSVZUKQNJIDRG-CYBMUJFWSA-N 1 0 349.431 2.383 20 5 EEBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330104 809894703 /nfs/dbraw/zinc/89/47/03/809894703.db2.gz YTAZASARYLFJAN-OCCSQVGLSA-N 1 0 336.388 2.419 20 5 EEBDRO O=C(CC1CC(F)(F)C1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130429845 811626987 /nfs/dbraw/zinc/62/69/87/811626987.db2.gz BDSORMOVABEBSZ-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NNC(=S)NCC(C)(C)C[NH+](C)C ZINC000806590685 811943432 /nfs/dbraw/zinc/94/34/32/811943432.db2.gz SMHQWDHWSPUASP-UHFFFAOYSA-N 1 0 339.465 2.282 20 5 EEBDRO [NH3+]CCOCCOCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170511588 811975455 /nfs/dbraw/zinc/97/54/55/811975455.db2.gz WFPDLCICBFNOOV-UHFFFAOYSA-N 1 0 337.298 2.017 20 5 EEBDRO NC(=O)c1cccc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000342702883 283385248 /nfs/dbraw/zinc/38/52/48/283385248.db2.gz IZRMGWYOZQMGFA-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)nc1 ZINC000193072282 237364188 /nfs/dbraw/zinc/36/41/88/237364188.db2.gz NLMPAQYFMFGHTM-XJKSGUPXSA-N 1 0 336.392 2.019 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H](C[NH+]4CCCC4)C3)cc2N1 ZINC000131674121 223256898 /nfs/dbraw/zinc/25/68/98/223256898.db2.gz NYICFGCRLQPFIM-CYBMUJFWSA-N 1 0 344.415 2.402 20 5 EEBDRO COC[C@@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]1 ZINC000414947083 238760476 /nfs/dbraw/zinc/76/04/76/238760476.db2.gz UKIADUMJWQZEKG-HNNXBMFYSA-N 1 0 345.346 2.054 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051468194 202640604 /nfs/dbraw/zinc/64/06/04/202640604.db2.gz MVKXAENCJLRZMU-UHFFFAOYSA-N 1 0 334.401 2.400 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420477174 239835407 /nfs/dbraw/zinc/83/54/07/239835407.db2.gz ZJOJPTVBNZWJAD-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1SC ZINC000193574759 240217739 /nfs/dbraw/zinc/21/77/39/240217739.db2.gz ACGIBBJCJXFCGK-ONGXEEELSA-N 1 0 339.417 2.196 20 5 EEBDRO COC[C@@]1(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423630110 240551595 /nfs/dbraw/zinc/55/15/95/240551595.db2.gz DFMYOHQHCDCYQH-KRWDZBQOSA-N 1 0 335.404 2.217 20 5 EEBDRO O=C(CC[NH+]1CCC(O)(C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000426255374 241248475 /nfs/dbraw/zinc/24/84/75/241248475.db2.gz YLBLLRIZYDJKQB-UHFFFAOYSA-N 1 0 343.330 2.015 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]1CCO ZINC000427962996 241504008 /nfs/dbraw/zinc/50/40/08/241504008.db2.gz HFLPUBGVYOYTGW-WWGRRREGSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438280816 242001347 /nfs/dbraw/zinc/00/13/47/242001347.db2.gz IROPBGYDCWJOMW-LYASGUKUSA-N 1 0 333.432 2.385 20 5 EEBDRO CS[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451322587 243078019 /nfs/dbraw/zinc/07/80/19/243078019.db2.gz GDITUXJBZLPBCE-GFCCVEGCSA-N 1 0 337.401 2.330 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000451492372 243132569 /nfs/dbraw/zinc/13/25/69/243132569.db2.gz OIBHFFMLTBTIOP-UAGQMJEPSA-N 1 0 345.399 2.471 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245612993 243137464 /nfs/dbraw/zinc/13/74/64/243137464.db2.gz CEJVRMOLBNWXOX-SJKOYZFVSA-N 1 0 344.415 2.417 20 5 EEBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451600813 243174106 /nfs/dbraw/zinc/17/41/06/243174106.db2.gz SWDQUYJYFHEAHV-DYVFJYSZSA-N 1 0 337.420 2.412 20 5 EEBDRO O=C(CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617077 243178689 /nfs/dbraw/zinc/17/86/89/243178689.db2.gz XGDUYPFCTAUWTI-WMZOPIPTSA-N 1 0 347.415 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615594 243178926 /nfs/dbraw/zinc/17/89/26/243178926.db2.gz QCUVIHNHRBNADS-GUYCJALGSA-N 1 0 330.388 2.358 20 5 EEBDRO CC1(C)C[C@@H](O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451813832 243276996 /nfs/dbraw/zinc/27/69/96/243276996.db2.gz SSPNNUTZWSXPGU-HNNXBMFYSA-N 1 0 335.404 2.406 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262630993 245080815 /nfs/dbraw/zinc/08/08/15/245080815.db2.gz MNANKMBPMDEKCC-CABCVRRESA-N 1 0 332.404 2.140 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756311 204291217 /nfs/dbraw/zinc/29/12/17/204291217.db2.gz BCMYFBLBQMZOBB-OLZOCXBDSA-N 1 0 334.294 2.361 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000112583089 204406178 /nfs/dbraw/zinc/40/61/78/204406178.db2.gz JEKRNCWCGMYKAI-AWEZNQCLSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130609589 205247802 /nfs/dbraw/zinc/24/78/02/205247802.db2.gz AELZOTIDODXZKO-ZDUSSCGKSA-N 1 0 345.403 2.449 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000157469406 206138812 /nfs/dbraw/zinc/13/88/12/206138812.db2.gz MTFWPRFGTOEGDH-GFCCVEGCSA-N 1 0 342.399 2.219 20 5 EEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000264248871 246240435 /nfs/dbraw/zinc/24/04/35/246240435.db2.gz KOLXUHWSICOBEH-UHFFFAOYSA-N 1 0 339.417 2.031 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158684600 206204446 /nfs/dbraw/zinc/20/44/46/206204446.db2.gz AOPXOBQXSIUFAD-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264907455 247031666 /nfs/dbraw/zinc/03/16/66/247031666.db2.gz MRLKVJJZGCWXPF-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000174881931 207068171 /nfs/dbraw/zinc/06/81/71/207068171.db2.gz QMFLUNBPARKMLL-INIZCTEOSA-N 1 0 343.431 2.388 20 5 EEBDRO CN(CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000177484834 207344348 /nfs/dbraw/zinc/34/43/48/207344348.db2.gz ZYGPVOCSNIESJS-KBPBESRZSA-N 1 0 334.420 2.020 20 5 EEBDRO Nc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000267307733 256047799 /nfs/dbraw/zinc/04/77/99/256047799.db2.gz LWWITNHJLOPNPM-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271148313 256212873 /nfs/dbraw/zinc/21/28/73/256212873.db2.gz PWTABKNCCXSIDQ-LLVKDONJSA-N 1 0 330.406 2.079 20 5 EEBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000270860771 256180704 /nfs/dbraw/zinc/18/07/04/256180704.db2.gz ICMZHHUOLNKPIF-IMSIIYSGSA-N 1 0 341.795 2.278 20 5 EEBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000346723874 292048839 /nfs/dbraw/zinc/04/88/39/292048839.db2.gz VLANWPMXUBDEOM-HNNXBMFYSA-N 1 0 335.404 2.086 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000189078358 285968177 /nfs/dbraw/zinc/96/81/77/285968177.db2.gz AWOOBLSIXNQTIM-CYBMUJFWSA-N 1 0 348.403 2.231 20 5 EEBDRO COC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000078728201 292193182 /nfs/dbraw/zinc/19/31/82/292193182.db2.gz IOBZSXWJDZLAPS-MRXNPFEDSA-N 1 0 336.388 2.181 20 5 EEBDRO Cc1nc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)sc1C ZINC000090559120 292219420 /nfs/dbraw/zinc/21/94/20/292219420.db2.gz SQWYDFPQCVYILE-UHFFFAOYSA-N 1 0 336.417 2.355 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262574937 152293025 /nfs/dbraw/zinc/29/30/25/152293025.db2.gz DVYSTNSVFNIULK-SNVBAGLBSA-N 1 0 343.811 2.459 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000122649807 292274977 /nfs/dbraw/zinc/27/49/77/292274977.db2.gz GQHNMLNLUGGOAU-OAHLLOKOSA-N 1 0 332.404 2.147 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128063059 292335478 /nfs/dbraw/zinc/33/54/78/292335478.db2.gz LCUQYVNHHFWHPM-GJZGRUSLSA-N 1 0 348.447 2.141 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000076315742 159084058 /nfs/dbraw/zinc/08/40/58/159084058.db2.gz KWYRHJXGSQDLPA-MRXNPFEDSA-N 1 0 335.404 2.004 20 5 EEBDRO C[NH+]1CCC(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101522859 159251199 /nfs/dbraw/zinc/25/11/99/159251199.db2.gz LVIUNTPGOAYVAW-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)C ZINC000102480019 159265324 /nfs/dbraw/zinc/26/53/24/159265324.db2.gz BXGQRJKBMXDKPE-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246242782 160270259 /nfs/dbraw/zinc/27/02/59/160270259.db2.gz IAQGNXMPNZQOBL-DOTOQJQBSA-N 1 0 330.388 2.371 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000248034686 160337382 /nfs/dbraw/zinc/33/73/82/160337382.db2.gz YNYHRRYSZSNDPR-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000341707350 161007025 /nfs/dbraw/zinc/00/70/25/161007025.db2.gz VQAQICQQNHHEEM-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000342695747 161083891 /nfs/dbraw/zinc/08/38/91/161083891.db2.gz PZIDNOCTJOMPAE-KBPBESRZSA-N 1 0 347.371 2.468 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343542644 161144988 /nfs/dbraw/zinc/14/49/88/161144988.db2.gz YPXWIFXJRPACNT-WFASDCNBSA-N 1 0 330.388 2.148 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343833617 161172216 /nfs/dbraw/zinc/17/22/16/161172216.db2.gz RNPPHECEEWDVOS-HUUCEWRRSA-N 1 0 338.404 2.129 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344070018 161195733 /nfs/dbraw/zinc/19/57/33/161195733.db2.gz MDKYNGGHGVNLDE-ARFHVFGLSA-N 1 0 347.415 2.210 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346125773 161359383 /nfs/dbraw/zinc/35/93/83/161359383.db2.gz AMGLXLREIXQGNA-NEPJUHHUSA-N 1 0 337.424 2.263 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357374172 163690524 /nfs/dbraw/zinc/69/05/24/163690524.db2.gz ZBVXUUAAEWGJLE-CYBMUJFWSA-N 1 0 333.392 2.254 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000364640115 165216789 /nfs/dbraw/zinc/21/67/89/165216789.db2.gz AYUGQUBWKRITLC-KGLIPLIRSA-N 1 0 332.356 2.417 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000370045990 166383949 /nfs/dbraw/zinc/38/39/49/166383949.db2.gz PAYRBMSHMKLJHS-HNNXBMFYSA-N 1 0 343.431 2.425 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000277687200 269172200 /nfs/dbraw/zinc/17/22/00/269172200.db2.gz VLLNVMXBJYSPRA-CJNGLKHVSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278789882 269243531 /nfs/dbraw/zinc/24/35/31/269243531.db2.gz XZWSDFBWNBJGOG-LESCRADOSA-N 1 0 344.415 2.339 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280656283 269382817 /nfs/dbraw/zinc/38/28/17/269382817.db2.gz ZODRLKYIBKMQCB-SJORKVTESA-N 1 0 343.383 2.177 20 5 EEBDRO COc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194227863 274068792 /nfs/dbraw/zinc/06/87/92/274068792.db2.gz NILJKYBTBWEIKI-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237350038 274093129 /nfs/dbraw/zinc/09/31/29/274093129.db2.gz JWMLWVOBODSSIC-SNVBAGLBSA-N 1 0 334.401 2.304 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000271864606 274160864 /nfs/dbraw/zinc/16/08/64/274160864.db2.gz AXIKRNDPAGCRTF-UHFFFAOYSA-N 1 0 344.415 2.187 20 5 EEBDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000272093622 274165406 /nfs/dbraw/zinc/16/54/06/274165406.db2.gz YKUDXTLLWRSSAV-DOTOQJQBSA-N 1 0 330.388 2.202 20 5 EEBDRO CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1O ZINC000275384482 274243716 /nfs/dbraw/zinc/24/37/16/274243716.db2.gz BQGFDOHESVSPBO-ZDUSSCGKSA-N 1 0 332.360 2.238 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277548774 274307770 /nfs/dbraw/zinc/30/77/70/274307770.db2.gz NZOGMPCNZPGSMS-CQSZACIVSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000278728837 274395260 /nfs/dbraw/zinc/39/52/60/274395260.db2.gz SEYQVIJDOADCBU-LBPRGKRZSA-N 1 0 325.434 2.341 20 5 EEBDRO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337830581 274674494 /nfs/dbraw/zinc/67/44/94/274674494.db2.gz VRJANVVTIPHZBZ-DLBZAZTESA-N 1 0 340.383 2.439 20 5 EEBDRO Cc1cc(N2C[C@@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338728911 274713019 /nfs/dbraw/zinc/71/30/19/274713019.db2.gz RNHQZIMXLLWGPR-QWHCGFSZSA-N 1 0 333.310 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000367420839 275035842 /nfs/dbraw/zinc/03/58/42/275035842.db2.gz VQMRKVZAYFIBJZ-ZFWWWQNUSA-N 1 0 325.796 2.284 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289828648 275152556 /nfs/dbraw/zinc/15/25/56/275152556.db2.gz BDAWOVHBWJTPNO-AWEZNQCLSA-N 1 0 346.431 2.123 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000291023056 275261966 /nfs/dbraw/zinc/26/19/66/275261966.db2.gz XWPINFIKMXNJJL-MRXNPFEDSA-N 1 0 336.388 2.348 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291751101 275336594 /nfs/dbraw/zinc/33/65/94/275336594.db2.gz CEYACBZHONYWHI-LLVKDONJSA-N 1 0 346.387 2.307 20 5 EEBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292161012 275386283 /nfs/dbraw/zinc/38/62/83/275386283.db2.gz VAVBQVNLTLUBOI-CQSZACIVSA-N 1 0 347.415 2.497 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000175274019 276376621 /nfs/dbraw/zinc/37/66/21/276376621.db2.gz RLFAKLVJDFSNMX-KRWDZBQOSA-N 1 0 349.431 2.290 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000265163368 278066229 /nfs/dbraw/zinc/06/62/29/278066229.db2.gz FNDZAJFGSNFFJD-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCC1 ZINC000342602101 278408513 /nfs/dbraw/zinc/40/85/13/278408513.db2.gz HRUMAOTUVDFZBX-SECBINFHSA-N 1 0 327.768 2.013 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000341033253 279348046 /nfs/dbraw/zinc/34/80/46/279348046.db2.gz VZCQTESIBHDFSF-CHWSQXEVSA-N 1 0 341.433 2.136 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491530426 289141219 /nfs/dbraw/zinc/14/12/19/289141219.db2.gz BBGYTTRJCFFTBM-XZVRFQMRSA-N 1 0 347.415 2.177 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292886710 293069352 /nfs/dbraw/zinc/06/93/52/293069352.db2.gz YLHPOYDSYNQCIV-HNNXBMFYSA-N 1 0 333.388 2.221 20 5 EEBDRO CCc1ccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000299461827 294748114 /nfs/dbraw/zinc/74/81/14/294748114.db2.gz ZDPWWUSWZUJFJS-CQSZACIVSA-N 1 0 345.403 2.221 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000307902241 311582601 /nfs/dbraw/zinc/58/26/01/311582601.db2.gz VDNNTGZBBUWFAW-NSHDSACASA-N 1 0 342.193 2.228 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCCC1 ZINC000331514891 311864211 /nfs/dbraw/zinc/86/42/11/311864211.db2.gz FGZRNSFOSYNPJA-CMPLNLGQSA-N 1 0 341.458 2.308 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411723432 312566393 /nfs/dbraw/zinc/56/63/93/312566393.db2.gz BXQOYBKOQYCJOQ-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NCC3CC[NH+](CCO)CC3)c2c1 ZINC000413131444 312797564 /nfs/dbraw/zinc/79/75/64/312797564.db2.gz NTLDFALAKWUTTK-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[NH2+]CC1 ZINC000415500359 313133607 /nfs/dbraw/zinc/13/36/07/313133607.db2.gz LKMALFWOKHBAQY-UHFFFAOYSA-N 1 0 336.392 2.041 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415502701 313134809 /nfs/dbraw/zinc/13/48/09/313134809.db2.gz NLQBJXIFDARACT-JKSUJKDBSA-N 1 0 348.403 2.345 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417716318 313574862 /nfs/dbraw/zinc/57/48/62/313574862.db2.gz LIXYMLJIFBBJAC-AWEZNQCLSA-N 1 0 349.435 2.099 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418406446 313805003 /nfs/dbraw/zinc/80/50/03/313805003.db2.gz DYUMLDTTXDCGPM-HUUCEWRRSA-N 1 0 334.420 2.296 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000418628485 313863716 /nfs/dbraw/zinc/86/37/16/313863716.db2.gz VNPAXSDVGUULOI-OAHLLOKOSA-N 1 0 348.403 2.016 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421004630 314021449 /nfs/dbraw/zinc/02/14/49/314021449.db2.gz OKKHSYOOOWSONX-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435424320 314901493 /nfs/dbraw/zinc/90/14/93/314901493.db2.gz UXAJNWFBBIHJPG-AWEZNQCLSA-N 1 0 343.387 2.102 20 5 EEBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1cccs1 ZINC000439135946 315069923 /nfs/dbraw/zinc/06/99/23/315069923.db2.gz WONNUHNGGSEMFZ-GFCCVEGCSA-N 1 0 334.401 2.470 20 5 EEBDRO CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000441376044 315184030 /nfs/dbraw/zinc/18/40/30/315184030.db2.gz IZOMSUHBDFYLPG-OCCSQVGLSA-N 1 0 349.387 2.392 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000444170367 315278846 /nfs/dbraw/zinc/27/88/46/315278846.db2.gz TVDHSXMMGTUVPG-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449189556 315429398 /nfs/dbraw/zinc/42/93/98/315429398.db2.gz PDIPYUNTOMVAAR-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451880890 315463543 /nfs/dbraw/zinc/46/35/43/315463543.db2.gz ALWYJOINGFAVKZ-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000535899715 317986103 /nfs/dbraw/zinc/98/61/03/317986103.db2.gz GGUNJZXZBSTXFW-OAHLLOKOSA-N 1 0 346.431 2.440 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000536831456 318010617 /nfs/dbraw/zinc/01/06/17/318010617.db2.gz HMOHFHBSGVQFPH-GFCCVEGCSA-N 1 0 343.449 2.272 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194377 318206800 /nfs/dbraw/zinc/20/68/00/318206800.db2.gz USEGHKHIGNGBAY-CJNGLKHVSA-N 1 0 342.399 2.184 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548042932 318348292 /nfs/dbraw/zinc/34/82/92/318348292.db2.gz GPEFMPOSVBICKH-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312884 318587949 /nfs/dbraw/zinc/58/79/49/318587949.db2.gz GWXRKGOLWCIJBD-WBMJQRKESA-N 1 0 337.445 2.252 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCC2(F)F)cc1 ZINC000566119823 319247868 /nfs/dbraw/zinc/24/78/68/319247868.db2.gz FINLQHMGPDQJNJ-NSHDSACASA-N 1 0 348.371 2.394 20 5 EEBDRO CC1(C)[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000566121555 319248129 /nfs/dbraw/zinc/24/81/29/319248129.db2.gz JHBDDPQSUYDZRX-ULQDDVLXSA-N 1 0 344.415 2.182 20 5 EEBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000566312557 319273941 /nfs/dbraw/zinc/27/39/41/319273941.db2.gz ODWZSTBEFAYMJP-QGZVFWFLSA-N 1 0 328.372 2.317 20 5 EEBDRO CNc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000568998778 319537763 /nfs/dbraw/zinc/53/77/63/319537763.db2.gz BRSBTYRLQXPGAF-LSDHHAIUSA-N 1 0 340.383 2.203 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000576220323 320151823 /nfs/dbraw/zinc/15/18/23/320151823.db2.gz MPGZVZFLOSMLQR-CRAIPNDOSA-N 1 0 344.367 2.196 20 5 EEBDRO CSc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000194681677 323502345 /nfs/dbraw/zinc/50/23/45/323502345.db2.gz PXEZZUDVBIJYRC-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000580903736 324150773 /nfs/dbraw/zinc/15/07/73/324150773.db2.gz XAOITWWPDKGBMA-AWEZNQCLSA-N 1 0 338.429 2.387 20 5 EEBDRO CCSc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581544339 324275989 /nfs/dbraw/zinc/27/59/89/324275989.db2.gz ZCIMMFQTSXOIGQ-CQSZACIVSA-N 1 0 336.417 2.054 20 5 EEBDRO Cc1cccc(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000583689431 324711706 /nfs/dbraw/zinc/71/17/06/324711706.db2.gz QKJPKELUVGTUIB-QGZVFWFLSA-N 1 0 345.399 2.260 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](CC2CC2)CC1 ZINC000358344755 465070324 /nfs/dbraw/zinc/07/03/24/465070324.db2.gz PPBJBNXHQBDTNP-UHFFFAOYSA-N 1 0 335.379 2.267 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000339421756 465259769 /nfs/dbraw/zinc/25/97/69/465259769.db2.gz PDPNEOCNQDUOBJ-LBPRGKRZSA-N 1 0 344.350 2.467 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000337236992 465260788 /nfs/dbraw/zinc/26/07/88/465260788.db2.gz BZYZYPMKYASISA-UHFFFAOYSA-N 1 0 342.399 2.123 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433373 465271597 /nfs/dbraw/zinc/27/15/97/465271597.db2.gz PCHGZPSRJXPZJZ-SFHVURJKSA-N 1 0 346.431 2.259 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000520799064 468271864 /nfs/dbraw/zinc/27/18/64/468271864.db2.gz FBTKZRDUTIBDHB-BBRMVZONSA-N 1 0 348.330 2.197 20 5 EEBDRO Nc1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000590569971 468274939 /nfs/dbraw/zinc/27/49/39/468274939.db2.gz SLBULWYYDKPBDC-GFCCVEGCSA-N 1 0 333.417 2.883 20 5 EEBDRO COc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045083973 462557153 /nfs/dbraw/zinc/55/71/53/462557153.db2.gz SUTAXGBRBBVKTM-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153433647 462649856 /nfs/dbraw/zinc/64/98/56/462649856.db2.gz OQWPVKDGIBFKJG-CYBMUJFWSA-N 1 0 340.383 2.357 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046379275 462675422 /nfs/dbraw/zinc/67/54/22/462675422.db2.gz MCJJHPBFTGYHCN-CQSZACIVSA-N 1 0 334.420 2.468 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000064299654 462692885 /nfs/dbraw/zinc/69/28/85/462692885.db2.gz IRFVGVSXTVEHEY-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO Cc1cnc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643964 462703422 /nfs/dbraw/zinc/70/34/22/462703422.db2.gz MRLXZWXGTSTNHQ-HOTGVXAUSA-N 1 0 342.399 2.346 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000115443557 462714763 /nfs/dbraw/zinc/71/47/63/462714763.db2.gz NCBCMKCIVORXPU-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000090550546 462797889 /nfs/dbraw/zinc/79/78/89/462797889.db2.gz KOIUSUAVYSWEBW-MRXNPFEDSA-N 1 0 327.384 2.321 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000117762406 462812607 /nfs/dbraw/zinc/81/26/07/462812607.db2.gz CPCIMWPJTYBERQ-LLVKDONJSA-N 1 0 337.807 2.391 20 5 EEBDRO Nc1nc(NC2CC[NH+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000065946396 462841885 /nfs/dbraw/zinc/84/18/85/462841885.db2.gz QCICWEFBRAXFRE-UHFFFAOYSA-N 1 0 334.424 2.424 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000132265191 462848346 /nfs/dbraw/zinc/84/83/46/462848346.db2.gz LZSBJJYMSFQKFA-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO CCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559274 462903681 /nfs/dbraw/zinc/90/36/81/462903681.db2.gz KUDGOCYPKXLHQI-INIZCTEOSA-N 1 0 340.445 2.427 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133514839 462940387 /nfs/dbraw/zinc/94/03/87/462940387.db2.gz LHYDLEBOCGWBNR-MNOVXSKESA-N 1 0 334.376 2.204 20 5 EEBDRO CC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000077248753 462959517 /nfs/dbraw/zinc/95/95/17/462959517.db2.gz UNDBNIAMHXWUOI-UHFFFAOYSA-N 1 0 335.404 2.377 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000134038332 462996771 /nfs/dbraw/zinc/99/67/71/462996771.db2.gz TXNAYCWUQKXFFI-LRDDRELGSA-N 1 0 343.387 2.238 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067915346 463067604 /nfs/dbraw/zinc/06/76/04/463067604.db2.gz ITKLZMGWUIOHAW-OAHLLOKOSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccccc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712172 463170200 /nfs/dbraw/zinc/17/02/00/463170200.db2.gz DQGIOFZBAMVTOX-MRXNPFEDSA-N 1 0 346.383 2.475 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080474293 463322634 /nfs/dbraw/zinc/32/26/34/463322634.db2.gz VCHHZVMRXVVAAU-MRXNPFEDSA-N 1 0 331.416 2.328 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150840500 463438004 /nfs/dbraw/zinc/43/80/04/463438004.db2.gz IKZVBIYGWZJCDW-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000161838494 463460938 /nfs/dbraw/zinc/46/09/38/463460938.db2.gz ZQIYHFNONWUEEZ-KBPBESRZSA-N 1 0 332.404 2.195 20 5 EEBDRO CCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162108506 463483807 /nfs/dbraw/zinc/48/38/07/463483807.db2.gz ZMDHHFXSJQDYKP-GFCCVEGCSA-N 1 0 329.422 2.041 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000151792461 463591411 /nfs/dbraw/zinc/59/14/11/463591411.db2.gz SIGKZZNOWXVWFE-LLVKDONJSA-N 1 0 337.376 2.019 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000283009291 463732547 /nfs/dbraw/zinc/73/25/47/463732547.db2.gz RUBWNDVUTPLQFH-NSHDSACASA-N 1 0 337.767 2.004 20 5 EEBDRO Cc1cnc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000185041621 463740552 /nfs/dbraw/zinc/74/05/52/463740552.db2.gz ONANZYBCDJEJHQ-RYUDHWBXSA-N 1 0 337.401 2.450 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000171125469 463792479 /nfs/dbraw/zinc/79/24/79/463792479.db2.gz LUUDJEMOFFGYGC-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO COC(=O)c1cnc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000276900954 463799743 /nfs/dbraw/zinc/79/97/43/463799743.db2.gz VUXQELMZEGENCJ-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261707944 463834299 /nfs/dbraw/zinc/83/42/99/463834299.db2.gz JSXOYOOWFWKQSC-MJBXVCDLSA-N 1 0 348.447 2.415 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287239347 463844178 /nfs/dbraw/zinc/84/41/78/463844178.db2.gz RBMPQICHAPEGEH-XHDPSFHLSA-N 1 0 343.387 2.170 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000277106784 463875235 /nfs/dbraw/zinc/87/52/35/463875235.db2.gz CYGHBGIGSNNBBP-GFCCVEGCSA-N 1 0 336.348 2.059 20 5 EEBDRO COc1cc(CN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261891344 463890180 /nfs/dbraw/zinc/89/01/80/463890180.db2.gz VOCVVPJRKUHTJC-HNNXBMFYSA-N 1 0 345.346 2.376 20 5 EEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261920864 463900380 /nfs/dbraw/zinc/90/03/80/463900380.db2.gz YUEUVDDKTLVRDV-TXEJJXNPSA-N 1 0 329.356 2.413 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000287534625 463918556 /nfs/dbraw/zinc/91/85/56/463918556.db2.gz VRXZZONTEDLWQP-GFCCVEGCSA-N 1 0 339.392 2.025 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171804044 463928014 /nfs/dbraw/zinc/92/80/14/463928014.db2.gz NGDWMAWXUXZNBQ-ZDUSSCGKSA-N 1 0 349.366 2.052 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000287565585 463929930 /nfs/dbraw/zinc/92/99/30/463929930.db2.gz QJNJJVNGMBWIAO-JSGCOSHPSA-N 1 0 343.387 2.101 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262280722 463990342 /nfs/dbraw/zinc/99/03/42/463990342.db2.gz XCBKNVLPECYDEK-OCCSQVGLSA-N 1 0 343.387 2.122 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000178891570 464005940 /nfs/dbraw/zinc/00/59/40/464005940.db2.gz VAFAGQAJSQDMSZ-AWEZNQCLSA-N 1 0 345.403 2.497 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@H]1CC[NH2+]C1 ZINC000262585653 464034323 /nfs/dbraw/zinc/03/43/23/464034323.db2.gz OJNFEZVWRNIOAZ-OAHLLOKOSA-N 1 0 349.434 2.271 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000179098317 464055833 /nfs/dbraw/zinc/05/58/33/464055833.db2.gz WGJRHZRAZUVHET-OAHLLOKOSA-N 1 0 346.431 2.265 20 5 EEBDRO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000179746372 464181273 /nfs/dbraw/zinc/18/12/73/464181273.db2.gz BGLVMZBOLUOZQV-UHFFFAOYSA-N 1 0 328.372 2.311 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237384605 464312931 /nfs/dbraw/zinc/31/29/31/464312931.db2.gz XINCVLWFSGHONH-OCCSQVGLSA-N 1 0 343.387 2.122 20 5 EEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000264445154 464328394 /nfs/dbraw/zinc/32/83/94/464328394.db2.gz RIVZOJYZXWNGPF-RISCZKNCSA-N 1 0 332.360 2.380 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000264461372 464335392 /nfs/dbraw/zinc/33/53/92/464335392.db2.gz VDWTYPRCOCWQDD-CZUORRHYSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000174151684 464368294 /nfs/dbraw/zinc/36/82/94/464368294.db2.gz MVYXOYNCVNWVNC-LBPRGKRZSA-N 1 0 336.348 2.059 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271761743 464374715 /nfs/dbraw/zinc/37/47/15/464374715.db2.gz GXHUFPPEMSOWKB-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CCc2ccccc21 ZINC000237891581 464397005 /nfs/dbraw/zinc/39/70/05/464397005.db2.gz GKFMAKXQZYSFOQ-QGZVFWFLSA-N 1 0 325.368 2.141 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000238064736 464427752 /nfs/dbraw/zinc/42/77/52/464427752.db2.gz TWYJMPZTFRCEIH-PWSUYJOCSA-N 1 0 341.795 2.261 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281430553 464451925 /nfs/dbraw/zinc/45/19/25/464451925.db2.gz PSLODECMYQZUFX-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000281495349 464478334 /nfs/dbraw/zinc/47/83/34/464478334.db2.gz UIDGMYRJFRPJJN-HNNXBMFYSA-N 1 0 349.431 2.376 20 5 EEBDRO O=C(Nc1nc(CN2CCCCC2)cs1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285197737 464483636 /nfs/dbraw/zinc/48/36/36/464483636.db2.gz UQQANPFNNFQWPB-UHFFFAOYSA-N 1 0 336.377 2.013 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCOC ZINC000281605513 464520191 /nfs/dbraw/zinc/52/01/91/464520191.db2.gz MNSUQJOFTJOOPP-OLZOCXBDSA-N 1 0 328.434 2.453 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000272293753 464552163 /nfs/dbraw/zinc/55/21/63/464552163.db2.gz BVSZEYUSXRNRRS-KBPBESRZSA-N 1 0 338.433 2.413 20 5 EEBDRO Cn1cc(C[NH2+]CCC(C)(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294741757 464592366 /nfs/dbraw/zinc/59/23/66/464592366.db2.gz HICMYNJYIPAJKD-UHFFFAOYSA-N 1 0 332.404 2.494 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182227802 464605282 /nfs/dbraw/zinc/60/52/82/464605282.db2.gz YVXZLMSSZBQZHY-UHFFFAOYSA-N 1 0 332.303 2.485 20 5 EEBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000182255683 464611327 /nfs/dbraw/zinc/61/13/27/464611327.db2.gz IXEYCGDHTGUDCN-CYBMUJFWSA-N 1 0 334.420 2.480 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000593882449 468418965 /nfs/dbraw/zinc/41/89/65/468418965.db2.gz HOINAQWDDISQRJ-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285870831 464724967 /nfs/dbraw/zinc/72/49/67/464724967.db2.gz BMYPOAPVYDANAU-FCHSOHFDSA-N 1 0 325.796 2.293 20 5 EEBDRO CC(C)CO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248471389 464756330 /nfs/dbraw/zinc/75/63/30/464756330.db2.gz VQJSBGGDEYSAQY-CABCVRRESA-N 1 0 338.404 2.081 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295416682 464823853 /nfs/dbraw/zinc/82/38/53/464823853.db2.gz UUMQWALNTZSDPR-SFHVURJKSA-N 1 0 345.399 2.112 20 5 EEBDRO Cc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000266799209 464826463 /nfs/dbraw/zinc/82/64/63/464826463.db2.gz BOYKWWASAQLYRC-UHFFFAOYSA-N 1 0 333.436 2.269 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000286297109 464872438 /nfs/dbraw/zinc/87/24/38/464872438.db2.gz DGQXSPRZFMLGHB-AWEZNQCLSA-N 1 0 335.404 2.484 20 5 EEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183764546 464907906 /nfs/dbraw/zinc/90/79/06/464907906.db2.gz HYVMMGAQIFDTCH-KRWDZBQOSA-N 1 0 343.431 2.388 20 5 EEBDRO O=C(CC[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000282758600 464936199 /nfs/dbraw/zinc/93/61/99/464936199.db2.gz TYIQHWLSKBTESI-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000192526180 464941359 /nfs/dbraw/zinc/94/13/59/464941359.db2.gz LYYYQDMZLIVLDK-ZDUSSCGKSA-N 1 0 334.401 2.230 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c([N+](=O)[O-])c1 ZINC000593910039 468429587 /nfs/dbraw/zinc/42/95/87/468429587.db2.gz QDCVTTPTYWXEST-GOEBONIOSA-N 1 0 346.431 2.352 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000298281040 465353041 /nfs/dbraw/zinc/35/30/41/465353041.db2.gz XCMXWOBFXRPTOG-GOEBONIOSA-N 1 0 349.387 2.185 20 5 EEBDRO CC(C)[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000337458675 465381479 /nfs/dbraw/zinc/38/14/79/465381479.db2.gz JFDYWZINBCRWSA-MRXNPFEDSA-N 1 0 334.420 2.195 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000339627245 465399617 /nfs/dbraw/zinc/39/96/17/465399617.db2.gz IPVCJVSFYXAIDU-CHWSQXEVSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000359810312 465492725 /nfs/dbraw/zinc/49/27/25/465492725.db2.gz OWZJBJXCKVDIRF-SWLSCSKDSA-N 1 0 328.372 2.316 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360468004 465571741 /nfs/dbraw/zinc/57/17/41/465571741.db2.gz ILFLCRDOMULEHM-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299093801 465598751 /nfs/dbraw/zinc/59/87/51/465598751.db2.gz NSYQNCIMSMSOJT-UHFFFAOYSA-N 1 0 334.351 2.266 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299117233 465609437 /nfs/dbraw/zinc/60/94/37/465609437.db2.gz SMSJFOKAOBUTTC-HOTGVXAUSA-N 1 0 332.404 2.063 20 5 EEBDRO CC(C)[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC[N@@H+]1C ZINC000337928597 465687247 /nfs/dbraw/zinc/68/72/47/465687247.db2.gz RBNFKMSUQNLKCU-OAHLLOKOSA-N 1 0 344.419 2.167 20 5 EEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccccc1 ZINC000554889216 468448251 /nfs/dbraw/zinc/44/82/51/468448251.db2.gz VTBBTAFNEPONHE-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C[N@@H+]1C ZINC000330567877 465709940 /nfs/dbraw/zinc/70/99/40/465709940.db2.gz BOULEDDORWNNJZ-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357080804 465752220 /nfs/dbraw/zinc/75/22/20/465752220.db2.gz NFOMDVLIMJOWSQ-OAHLLOKOSA-N 1 0 346.431 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344675509 465772522 /nfs/dbraw/zinc/77/25/22/465772522.db2.gz SDUIRXNZXAGJHN-OAHLLOKOSA-N 1 0 335.404 2.454 20 5 EEBDRO C[S@@](=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348919286 465872885 /nfs/dbraw/zinc/87/28/85/465872885.db2.gz FHWPVWUGIZMMCL-HSZRJFAPSA-N 1 0 333.413 2.298 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000331019409 465900865 /nfs/dbraw/zinc/90/08/65/465900865.db2.gz IYJPOVLKQQUJRM-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cn1ccnc1[C@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353495478 465929601 /nfs/dbraw/zinc/92/96/01/465929601.db2.gz HVNDODZTECRGJK-MRXNPFEDSA-N 1 0 330.388 2.434 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357374175 465987225 /nfs/dbraw/zinc/98/72/25/465987225.db2.gz ZBVXUUAAEWGJLE-ZDUSSCGKSA-N 1 0 333.392 2.254 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252836 466032019 /nfs/dbraw/zinc/03/20/19/466032019.db2.gz ZGPLTZLGOAEJLU-XJKCOSOUSA-N 1 0 347.415 2.406 20 5 EEBDRO Cc1cc(NC[C@H]2CCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591429683 468467573 /nfs/dbraw/zinc/46/75/73/468467573.db2.gz ICIKLIYVMDPNHN-CQSZACIVSA-N 1 0 327.388 2.336 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353671165 466056312 /nfs/dbraw/zinc/05/63/12/466056312.db2.gz NDKPNKHHOITECQ-INIZCTEOSA-N 1 0 343.431 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353688361 466067294 /nfs/dbraw/zinc/06/72/94/466067294.db2.gz ODOUEOIZXGKCRY-ZWNOBZJWSA-N 1 0 327.331 2.380 20 5 EEBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000302070261 466092455 /nfs/dbraw/zinc/09/24/55/466092455.db2.gz YCKJVZIPXKXWHU-MRXNPFEDSA-N 1 0 342.399 2.477 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363027212 466183712 /nfs/dbraw/zinc/18/37/12/466183712.db2.gz WTIZOHUASSDXGR-STQMWFEESA-N 1 0 332.404 2.017 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372159251 466193919 /nfs/dbraw/zinc/19/39/19/466193919.db2.gz ZENIBFUMRXXPKN-KBPBESRZSA-N 1 0 333.388 2.282 20 5 EEBDRO C[NH+](C)CCc1ccccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354227759 466399299 /nfs/dbraw/zinc/39/92/99/466399299.db2.gz MHGXBFSPCUJUOL-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000332186327 466434718 /nfs/dbraw/zinc/43/47/18/466434718.db2.gz BDUPSBLZDOIHBA-NWDGAFQWSA-N 1 0 328.372 2.308 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000332313125 466504342 /nfs/dbraw/zinc/50/43/42/466504342.db2.gz IGBBEQDZNFECHG-NWDGAFQWSA-N 1 0 328.372 2.356 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358225331 466555091 /nfs/dbraw/zinc/55/50/91/466555091.db2.gz COMZCRLGKZVSHM-XJKSGUPXSA-N 1 0 339.461 2.122 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362136758 466580704 /nfs/dbraw/zinc/58/07/04/466580704.db2.gz MSOSEJZDYDKQMA-IRXDYDNUSA-N 1 0 347.415 2.105 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000368139071 466582170 /nfs/dbraw/zinc/58/21/70/466582170.db2.gz MZIDRLRZGCZHGA-HIFRSBDPSA-N 1 0 335.404 2.029 20 5 EEBDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](c2ccccc2)C1 ZINC000372854045 466615907 /nfs/dbraw/zinc/61/59/07/466615907.db2.gz BLJIXPAFTAXYCM-HUUCEWRRSA-N 1 0 340.383 2.005 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](c2ccccc2)C1 ZINC000372854039 466616458 /nfs/dbraw/zinc/61/64/58/466616458.db2.gz BLJIXPAFTAXYCM-CABCVRRESA-N 1 0 340.383 2.005 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591685982 468503049 /nfs/dbraw/zinc/50/30/49/468503049.db2.gz HOVHBEDCBQQUQJ-AWEZNQCLSA-N 1 0 326.356 2.015 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484373 466647117 /nfs/dbraw/zinc/64/71/17/466647117.db2.gz SKCOFWQPHXAJQZ-XOKHGSTOSA-N 1 0 337.395 2.417 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363938024 466661625 /nfs/dbraw/zinc/66/16/25/466661625.db2.gz NCHGCHPTDKWVNS-STQMWFEESA-N 1 0 348.359 2.168 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c([N+](=O)[O-])c1 ZINC000423241497 466702821 /nfs/dbraw/zinc/70/28/21/466702821.db2.gz YACCGIDHCBMLTD-ZFWWWQNUSA-N 1 0 334.420 2.210 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000410636736 466720703 /nfs/dbraw/zinc/72/07/03/466720703.db2.gz NGATVSHBOLVQEB-WDEREUQCSA-N 1 0 339.367 2.297 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367523 466730043 /nfs/dbraw/zinc/73/00/43/466730043.db2.gz MQTYVIIRJAGIQK-OFQRWUPVSA-N 1 0 329.404 2.277 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373260990 466746052 /nfs/dbraw/zinc/74/60/52/466746052.db2.gz NJIZMWFUZXKKGY-UHFFFAOYSA-N 1 0 329.404 2.979 20 5 EEBDRO [NH3+]CC1(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 ZINC000423821048 466856245 /nfs/dbraw/zinc/85/62/45/466856245.db2.gz DALDIKYZDYANBJ-UHFFFAOYSA-N 1 0 349.435 2.254 20 5 EEBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411654487 466867471 /nfs/dbraw/zinc/86/74/71/466867471.db2.gz XVWHFNFJCGFRCH-XJKSGUPXSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000377024461 467001506 /nfs/dbraw/zinc/00/15/06/467001506.db2.gz ZKWOEYIMXRNGIC-AWEZNQCLSA-N 1 0 333.388 2.222 20 5 EEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000419008787 467161487 /nfs/dbraw/zinc/16/14/87/467161487.db2.gz MASABBZFXHHPSH-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EEBDRO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000413110190 467171678 /nfs/dbraw/zinc/17/16/78/467171678.db2.gz HGVGVEASWIXZHN-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427887349 467184563 /nfs/dbraw/zinc/18/45/63/467184563.db2.gz SKFPIXOGYGHAFZ-TZMCWYRMSA-N 1 0 343.387 2.113 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397483 467290135 /nfs/dbraw/zinc/29/01/35/467290135.db2.gz OZFOBBJYVPALAY-UONOGXRCSA-N 1 0 347.415 2.332 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452096149 467320616 /nfs/dbraw/zinc/32/06/16/467320616.db2.gz NDKVFLBDXWCRCJ-AWEZNQCLSA-N 1 0 341.433 2.006 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382462249 467375668 /nfs/dbraw/zinc/37/56/68/467375668.db2.gz XBMWIBGYXUHDJV-QWRGUYRKSA-N 1 0 342.193 2.357 20 5 EEBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000414141573 467382983 /nfs/dbraw/zinc/38/29/83/467382983.db2.gz JUXCHIZYEICBGU-CVEARBPZSA-N 1 0 336.436 2.443 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420376104 467384139 /nfs/dbraw/zinc/38/41/39/467384139.db2.gz JOMJZJWJSVXLAD-NVXWUHKLSA-N 1 0 337.395 2.452 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420635257 467438923 /nfs/dbraw/zinc/43/89/23/467438923.db2.gz LVJONJKSVATOTR-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO CC[NH2+]CC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430564559 467440837 /nfs/dbraw/zinc/44/08/37/467440837.db2.gz LZEGBKQRHMPTBA-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO CCC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116540 467455818 /nfs/dbraw/zinc/45/58/18/467455818.db2.gz IRZIZKBSONOUAL-UKRRQHHQSA-N 1 0 341.433 2.060 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000431571448 467526067 /nfs/dbraw/zinc/52/60/67/467526067.db2.gz RGCNXXDUFBNAQK-CHWSQXEVSA-N 1 0 337.424 2.257 20 5 EEBDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449123425 467619436 /nfs/dbraw/zinc/61/94/36/467619436.db2.gz CLKWKMRJBXTQSN-OCCSQVGLSA-N 1 0 329.404 2.284 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449395683 467638547 /nfs/dbraw/zinc/63/85/47/467638547.db2.gz JVQDNRSGAUZDDA-HKBKRHGFSA-N 1 0 333.432 2.435 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000457511423 467640019 /nfs/dbraw/zinc/64/00/19/467640019.db2.gz BRPDKJRREIUWHI-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457102177 467753369 /nfs/dbraw/zinc/75/33/69/467753369.db2.gz ZOWZVYBKFGQNMJ-MRXNPFEDSA-N 1 0 347.415 2.499 20 5 EEBDRO CC(C)[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000450245965 467807942 /nfs/dbraw/zinc/80/79/42/467807942.db2.gz SPBRYAKEGZCQGB-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC[N@@H+]1C ZINC000450789390 467908392 /nfs/dbraw/zinc/90/83/92/467908392.db2.gz GJXWYVOOLJNDDC-BXUZGUMPSA-N 1 0 343.387 2.197 20 5 EEBDRO O=[N+]([O-])c1c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc2ncccc21 ZINC000450792569 467909125 /nfs/dbraw/zinc/90/91/25/467909125.db2.gz OAFVBGXXYMWVKB-BETUJISGSA-N 1 0 328.372 2.418 20 5 EEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000515300297 467983429 /nfs/dbraw/zinc/98/34/29/467983429.db2.gz OBDZGJGDFCJRKO-ZDUSSCGKSA-N 1 0 341.433 2.049 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486925053 468013262 /nfs/dbraw/zinc/01/32/62/468013262.db2.gz FEWIKJZYSNKGFY-GFCCVEGCSA-N 1 0 331.376 2.423 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000516318792 468025012 /nfs/dbraw/zinc/02/50/12/468025012.db2.gz XLFNHWNOEIHMGM-LBPRGKRZSA-N 1 0 337.767 2.004 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488076000 468070604 /nfs/dbraw/zinc/07/06/04/468070604.db2.gz MCBNNUPUAHTQQI-ZDUSSCGKSA-N 1 0 330.388 2.300 20 5 EEBDRO O=C1[C@H](SCC2CC[NH2+]CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000517137969 468072289 /nfs/dbraw/zinc/07/22/89/468072289.db2.gz RDYKPNFIXSUFAW-OAHLLOKOSA-N 1 0 335.429 2.433 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753700 468102081 /nfs/dbraw/zinc/10/20/81/468102081.db2.gz NDNVWQJDFRWZQK-WOSRLPQWSA-N 1 0 346.431 2.121 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600315298 468530432 /nfs/dbraw/zinc/53/04/32/468530432.db2.gz RLDYTBDVBAGWQL-CQSZACIVSA-N 1 0 335.404 2.130 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594420428 468579288 /nfs/dbraw/zinc/57/92/88/468579288.db2.gz TUYFNDSAPFPLDG-LSDHHAIUSA-N 1 0 332.404 2.140 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253923 468665451 /nfs/dbraw/zinc/66/54/51/468665451.db2.gz QHLBMNOXAREPEM-HUUCEWRRSA-N 1 0 346.431 2.488 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC2(CCO2)CC1 ZINC000558626997 468694179 /nfs/dbraw/zinc/69/41/79/468694179.db2.gz MKQNBEPCLAEWNE-UHFFFAOYSA-N 1 0 347.371 2.148 20 5 EEBDRO COc1ccccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559238529 468732507 /nfs/dbraw/zinc/73/25/07/468732507.db2.gz FZZQDWVSGFEEHQ-INIZCTEOSA-N 1 0 346.383 2.175 20 5 EEBDRO C[C@H](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+](C)C ZINC000597991621 468732776 /nfs/dbraw/zinc/73/27/76/468732776.db2.gz FYMTVZOBYKJFNJ-LLVKDONJSA-N 1 0 331.376 2.055 20 5 EEBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601144299 468759217 /nfs/dbraw/zinc/75/92/17/468759217.db2.gz ILXDUFOJSPFEJQ-CQSZACIVSA-N 1 0 343.431 2.003 20 5 EEBDRO COc1cc(C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000593109233 468874881 /nfs/dbraw/zinc/87/48/81/468874881.db2.gz XJSVBQFTANJZLG-SNVBAGLBSA-N 1 0 348.346 2.450 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504818 468879335 /nfs/dbraw/zinc/87/93/35/468879335.db2.gz MXWIWHILNFOAPV-SFHVURJKSA-N 1 0 346.431 2.259 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584470669 468879746 /nfs/dbraw/zinc/87/97/46/468879746.db2.gz CGRIESUUDGPBNQ-AWEZNQCLSA-N 1 0 348.447 2.445 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562514 468914208 /nfs/dbraw/zinc/91/42/08/468914208.db2.gz VEZHMVHNYKYKSA-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000572696957 468971159 /nfs/dbraw/zinc/97/11/59/468971159.db2.gz KCEJYIPSYFIVIE-CQSZACIVSA-N 1 0 335.404 2.089 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595727379 468972838 /nfs/dbraw/zinc/97/28/38/468972838.db2.gz BQCPSOAQAPYPIS-KGLIPLIRSA-N 1 0 333.388 2.094 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593459421 468990220 /nfs/dbraw/zinc/99/02/20/468990220.db2.gz PFYTWCJRXPGNRK-HNNXBMFYSA-N 1 0 335.379 2.363 20 5 EEBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602662066 468996231 /nfs/dbraw/zinc/99/62/31/468996231.db2.gz CRJGDICSMHYXES-VIFPVBQESA-N 1 0 331.294 2.311 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593494040 469005054 /nfs/dbraw/zinc/00/50/54/469005054.db2.gz XPRNVJVBBOYDHN-ZDUSSCGKSA-N 1 0 337.395 2.467 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1=CCSC1 ZINC000595888470 469064839 /nfs/dbraw/zinc/06/48/39/469064839.db2.gz MXCKECPSQLOPID-UHFFFAOYSA-N 1 0 349.412 2.498 20 5 EEBDRO CC[C@@H](O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602795201 469080247 /nfs/dbraw/zinc/08/02/47/469080247.db2.gz GFSBMJQSFLSWJT-MRXNPFEDSA-N 1 0 332.404 2.373 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000610831924 469083125 /nfs/dbraw/zinc/08/31/25/469083125.db2.gz GUFMDEQLGTVEAR-MCIONIFRSA-N 1 0 335.404 2.453 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[C@@H](O)C3)s2)cc1 ZINC000599011113 469087109 /nfs/dbraw/zinc/08/71/09/469087109.db2.gz YTQQEVTZABCXJS-OAHLLOKOSA-N 1 0 347.440 2.480 20 5 EEBDRO CCSC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000596065805 469135843 /nfs/dbraw/zinc/13/58/43/469135843.db2.gz MVFTZTWNPZNPCW-UHFFFAOYSA-N 1 0 344.458 2.244 20 5 EEBDRO O=c1[nH]ccc(N2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596251134 469221654 /nfs/dbraw/zinc/22/16/54/469221654.db2.gz OLQNALLHDIGBHH-UHFFFAOYSA-N 1 0 328.372 2.454 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H](CO)Cc2ccccc2)n1 ZINC000574068784 469254842 /nfs/dbraw/zinc/25/48/42/469254842.db2.gz TWFFKYXJICXCPA-IKGGRYGDSA-N 1 0 344.415 2.468 20 5 EEBDRO COCCC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000599505953 469279242 /nfs/dbraw/zinc/27/92/42/469279242.db2.gz FKQUYBXGUOSHIX-OAHLLOKOSA-N 1 0 338.404 2.083 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571298 469304063 /nfs/dbraw/zinc/30/40/63/469304063.db2.gz SZWKIVWHFYEACC-CQSZACIVSA-N 1 0 346.431 2.488 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCn2cc(CC[NH+]3CCCCC3)nn2)c1 ZINC000603201108 469307831 /nfs/dbraw/zinc/30/78/31/469307831.db2.gz NEBYFSFGLSHDSB-UHFFFAOYSA-N 1 0 345.403 2.294 20 5 EEBDRO O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602493341 469339540 /nfs/dbraw/zinc/33/95/40/469339540.db2.gz SWUXGUHZWOBURL-XJKSGUPXSA-N 1 0 329.400 2.227 20 5 EEBDRO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611925112 469346457 /nfs/dbraw/zinc/34/64/57/469346457.db2.gz KWGUUWADOMVDPN-VIFPVBQESA-N 1 0 347.462 2.202 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000616337598 469427143 /nfs/dbraw/zinc/42/71/43/469427143.db2.gz DHNSMYFILIJYPE-GFCCVEGCSA-N 1 0 335.404 2.372 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000608836705 469882965 /nfs/dbraw/zinc/88/29/65/469882965.db2.gz GFSVZGFOVHIJIF-NBUZRDOWSA-N 1 0 342.399 2.464 20 5 EEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609175140 469899516 /nfs/dbraw/zinc/89/95/16/469899516.db2.gz CIFDOTSQPHKXNO-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000609346097 469921652 /nfs/dbraw/zinc/92/16/52/469921652.db2.gz LYXOXGSAPDLBRA-GFCCVEGCSA-N 1 0 347.371 2.024 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609476840 469931105 /nfs/dbraw/zinc/93/11/05/469931105.db2.gz GNUKZZRBRTYGRE-UHFFFAOYSA-N 1 0 337.424 2.217 20 5 EEBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)o1 ZINC000618418161 469986553 /nfs/dbraw/zinc/98/65/53/469986553.db2.gz UNIJUDROLIGXAF-UHFFFAOYSA-N 1 0 346.347 2.480 20 5 EEBDRO COc1ccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000415443405 534102918 /nfs/dbraw/zinc/10/29/18/534102918.db2.gz QZRDAGLGXZLVRP-CYBMUJFWSA-N 1 0 348.403 2.457 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000193493408 534108426 /nfs/dbraw/zinc/10/84/26/534108426.db2.gz NULSKECWEJLZAB-YOEHRIQHSA-N 1 0 349.434 2.411 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190166160 534306949 /nfs/dbraw/zinc/30/69/49/534306949.db2.gz SDTPJQXDFDGNIE-AWEZNQCLSA-N 1 0 336.392 2.309 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420358687 526697304 /nfs/dbraw/zinc/69/73/04/526697304.db2.gz IXQDAUJAZFENOR-LBPRGKRZSA-N 1 0 328.800 2.150 20 5 EEBDRO CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]CC1 ZINC000193354185 528021370 /nfs/dbraw/zinc/02/13/70/528021370.db2.gz CAMZYXWERUBIDL-UHFFFAOYSA-N 1 0 349.434 2.413 20 5 EEBDRO CC(C)c1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000189839699 528069626 /nfs/dbraw/zinc/06/96/26/528069626.db2.gz WOYUOWKHUILXMJ-UHFFFAOYSA-N 1 0 349.431 2.295 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000191365117 528267953 /nfs/dbraw/zinc/26/79/53/528267953.db2.gz YPEZDPCCLHUTEB-CQSZACIVSA-N 1 0 346.431 2.394 20 5 EEBDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000236881968 535770302 /nfs/dbraw/zinc/77/03/02/535770302.db2.gz NJXJSZUBZIBKIZ-UHFFFAOYSA-N 1 0 337.376 2.314 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422716272 536373925 /nfs/dbraw/zinc/37/39/25/536373925.db2.gz UCXSQHVKALOLFX-LLVKDONJSA-N 1 0 339.370 2.254 20 5 EEBDRO O=C1CN(C[N@@H+]2CCC[C@@H]2C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000728559379 576506866 /nfs/dbraw/zinc/50/68/66/576506866.db2.gz FXPPAUXCYJPHDE-OAHLLOKOSA-N 1 0 344.371 2.195 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000731809290 577125743 /nfs/dbraw/zinc/12/57/43/577125743.db2.gz SSSMYIYRIQUUJI-QWHCGFSZSA-N 1 0 348.359 2.168 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733165744 577206175 /nfs/dbraw/zinc/20/61/75/577206175.db2.gz LLPNHHOQSLTZGE-MRXNPFEDSA-N 1 0 345.403 2.097 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000733791712 577256920 /nfs/dbraw/zinc/25/69/20/577256920.db2.gz CJIGSZWPFWBSKR-CQSZACIVSA-N 1 0 344.371 2.177 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000776582186 577463286 /nfs/dbraw/zinc/46/32/86/577463286.db2.gz LOUGNOPPQMKMSV-MRXNPFEDSA-N 1 0 332.356 2.474 20 5 EEBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596476 577463928 /nfs/dbraw/zinc/46/39/28/577463928.db2.gz FBVPIQYHKFWAGZ-AWEZNQCLSA-N 1 0 337.420 2.159 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000766378521 577518177 /nfs/dbraw/zinc/51/81/77/577518177.db2.gz XJKPWFBHYRHNQI-LSDHHAIUSA-N 1 0 329.404 2.344 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000766970103 577528179 /nfs/dbraw/zinc/52/81/79/577528179.db2.gz OKSVTIKKAUGMAV-FSPWUOQZSA-N 1 0 330.384 2.382 20 5 EEBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761534869 577685561 /nfs/dbraw/zinc/68/55/61/577685561.db2.gz SLBYMNBTSAYPDV-CQSZACIVSA-N 1 0 330.768 2.306 20 5 EEBDRO C[S@](=O)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159355 577801454 /nfs/dbraw/zinc/80/14/54/577801454.db2.gz MFGGIESSBBRGFM-SRGWNRLKSA-N 1 0 348.424 2.338 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638872 577979384 /nfs/dbraw/zinc/97/93/84/577979384.db2.gz LZHXMKBOCLDCBI-MJGOQNOKSA-N 1 0 341.411 2.492 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000826499725 607978223 /nfs/dbraw/zinc/97/82/23/607978223.db2.gz URYFGQZMLBTKBF-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO C[C@@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000120316232 674902016 /nfs/dbraw/zinc/90/20/16/674902016.db2.gz FUBBUVIHLWPYQF-NSHDSACASA-N 1 0 347.462 2.199 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC001020781160 675491116 /nfs/dbraw/zinc/49/11/16/675491116.db2.gz FNNLOMAMVVKMTA-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO CCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC001020947178 675599009 /nfs/dbraw/zinc/59/90/09/675599009.db2.gz QLDMMRVVYJWXON-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO CCn1cnc2c1CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000933260111 676532310 /nfs/dbraw/zinc/53/23/10/676532310.db2.gz XYELCYVEWNSQGN-UHFFFAOYSA-N 1 0 346.387 2.257 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000891814457 676843242 /nfs/dbraw/zinc/84/32/42/676843242.db2.gz FGQCDLGPHHLXDE-AWEZNQCLSA-N 1 0 336.392 2.054 20 5 EEBDRO CCc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022666272 678171529 /nfs/dbraw/zinc/17/15/29/678171529.db2.gz IGMGYEXZYOFDFY-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061210171 678708608 /nfs/dbraw/zinc/70/86/08/678708608.db2.gz QEOBOJBXPYIBJJ-ZZXKWVIFSA-N 1 0 338.367 2.352 20 5 EEBDRO C[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000892820664 683102116 /nfs/dbraw/zinc/10/21/16/683102116.db2.gz REHLMJQLHZDMCU-QWHCGFSZSA-N 1 0 334.420 2.480 20 5 EEBDRO Cc1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC001020018338 683530128 /nfs/dbraw/zinc/53/01/28/683530128.db2.gz XNBIQFSSIHTSMJ-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CCC1 ZINC001025946895 683671046 /nfs/dbraw/zinc/67/10/46/683671046.db2.gz XCUMIABVNBQOFM-ZSHCYNCHSA-N 1 0 329.400 2.331 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000909437629 683738355 /nfs/dbraw/zinc/73/83/55/683738355.db2.gz CENBUIBILSUOOT-NSHDSACASA-N 1 0 340.811 2.385 20 5 EEBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CC=CC1 ZINC001026010544 683744139 /nfs/dbraw/zinc/74/41/39/683744139.db2.gz MTMFBCBQZZIICH-QLPKVWCKSA-N 1 0 341.411 2.498 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000895279546 684432603 /nfs/dbraw/zinc/43/26/03/684432603.db2.gz VUZMLDKPYZVIPA-AWEZNQCLSA-N 1 0 340.383 2.270 20 5 EEBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330356 684505890 /nfs/dbraw/zinc/50/58/90/684505890.db2.gz LKEHNOQEQURIHV-YOEHRIQHSA-N 1 0 332.356 2.172 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-])C1CC1 ZINC000899906755 693920115 /nfs/dbraw/zinc/92/01/15/693920115.db2.gz NOPPMXCTDXFKPD-SNVBAGLBSA-N 1 0 334.294 2.448 20 5 EEBDRO CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000909339063 685191207 /nfs/dbraw/zinc/19/12/07/685191207.db2.gz HIJBJFBUGCWZRP-AWEZNQCLSA-N 1 0 342.355 2.364 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000897238236 686305141 /nfs/dbraw/zinc/30/51/41/686305141.db2.gz WJDFSVDFKOVWAW-KGLIPLIRSA-N 1 0 337.445 2.329 20 5 EEBDRO C[N@H+](CC1CC2(CCC2)C1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433596 686723530 /nfs/dbraw/zinc/72/35/30/686723530.db2.gz MIDBEOROLBBHKP-HZPDHXFCSA-N 1 0 335.448 2.155 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000897502357 690755739 /nfs/dbraw/zinc/75/57/39/690755739.db2.gz CUIKQEAVTLBKBE-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cc(N(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001105531699 1188151873 /nfs/dbraw/zinc/15/18/73/1188151873.db2.gz HCAALFYNQBBEEV-UHFFFAOYSA-N 1 0 348.447 2.140 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CCC[NH+](C)C)c1 ZINC001105538810 1188160514 /nfs/dbraw/zinc/16/05/14/1188160514.db2.gz JKNCLONJHSPOFK-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000877016405 1199845057 /nfs/dbraw/zinc/84/50/57/1199845057.db2.gz GCNRKCMDMNJJTP-GZMMTYOYSA-N 1 0 349.284 2.333 20 5 EEBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000877094675 1199861189 /nfs/dbraw/zinc/86/11/89/1199861189.db2.gz BEOJURYMHHXSJR-CYBMUJFWSA-N 1 0 334.420 2.250 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158674917 1199879585 /nfs/dbraw/zinc/87/95/85/1199879585.db2.gz FFKBENZEXFUWCE-LBPRGKRZSA-N 1 0 331.829 2.325 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000877796406 1200113465 /nfs/dbraw/zinc/11/34/65/1200113465.db2.gz FYCKGIQJGHUTRO-CQSZACIVSA-N 1 0 336.388 2.444 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877796314 1200114405 /nfs/dbraw/zinc/11/44/05/1200114405.db2.gz COGGIKTXJJVUPO-CYBMUJFWSA-N 1 0 336.388 2.349 20 5 EEBDRO Cc1cc(N2CCN(C[C@@H](C)O)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000795141957 1200886242 /nfs/dbraw/zinc/88/62/42/1200886242.db2.gz ZMECDUCTSPIIDH-NWDGAFQWSA-N 1 0 327.812 2.448 20 5 EEBDRO O=C(C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879528860 1201126369 /nfs/dbraw/zinc/12/63/69/1201126369.db2.gz DIGWVWBFAFHDNL-GASCZTMLSA-N 1 0 327.384 2.382 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880204939 1201421456 /nfs/dbraw/zinc/42/14/56/1201421456.db2.gz MSDHYQQEVHZIAQ-INIZCTEOSA-N 1 0 349.431 2.336 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866186931 1201459351 /nfs/dbraw/zinc/45/93/51/1201459351.db2.gz YJOMJSMBJDUKFW-ZDUSSCGKSA-N 1 0 337.395 2.467 20 5 EEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364275 1201500443 /nfs/dbraw/zinc/50/04/43/1201500443.db2.gz QDCCZTBBWBDRNM-AXAPSJFSSA-N 1 0 326.368 2.306 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121230470 1201604168 /nfs/dbraw/zinc/60/41/68/1201604168.db2.gz UHDDFFSJCWEAIZ-CQSZACIVSA-N 1 0 331.420 2.484 20 5 EEBDRO CCSCC[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945134 1201711385 /nfs/dbraw/zinc/71/13/85/1201711385.db2.gz RKCBALDNRZUDPT-IAQYHMDHSA-N 1 0 325.434 2.417 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCOCC3)CC2)nc2ccccn21 ZINC000882592278 1201904215 /nfs/dbraw/zinc/90/42/15/1201904215.db2.gz AXYXAUYUCVQNCR-UHFFFAOYSA-N 1 0 345.403 2.298 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000882810575 1201948451 /nfs/dbraw/zinc/94/84/51/1201948451.db2.gz WJKLQOZRTXLOBN-CYBMUJFWSA-N 1 0 327.388 2.455 20 5 EEBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000884195120 1202259094 /nfs/dbraw/zinc/25/90/94/1202259094.db2.gz CGRNDTSVMULLQR-INIZCTEOSA-N 1 0 348.447 2.253 20 5 EEBDRO C[C@@](O)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000886026409 1202463944 /nfs/dbraw/zinc/46/39/44/1202463944.db2.gz WBRSYHDSEYWAQJ-OAHLLOKOSA-N 1 0 330.331 2.454 20 5 EEBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886266116 1202486003 /nfs/dbraw/zinc/48/60/03/1202486003.db2.gz ZXFNYARRMCPPQG-MRXNPFEDSA-N 1 0 340.383 2.128 20 5 EEBDRO O=C1NCCN1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000886324482 1202492457 /nfs/dbraw/zinc/49/24/57/1202492457.db2.gz TWJFCGLALPVXSI-UHFFFAOYSA-N 1 0 346.412 2.438 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001095418275 1205721777 /nfs/dbraw/zinc/72/17/77/1205721777.db2.gz BSNDGPRXNLCVQA-UHFFFAOYSA-N 1 0 348.447 2.328 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932297960 1207578039 /nfs/dbraw/zinc/57/80/39/1207578039.db2.gz GOOMSVVGNCMAIE-PVAVHDDUSA-N 1 0 329.400 2.299 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000934682775 1208008689 /nfs/dbraw/zinc/00/86/89/1208008689.db2.gz MBXXYEUBENYIAD-WMZOPIPTSA-N 1 0 343.383 2.470 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114780475 1215274216 /nfs/dbraw/zinc/27/42/16/1215274216.db2.gz HAWHKVJLEWEUGG-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1cc(NC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001114813679 1215492007 /nfs/dbraw/zinc/49/20/07/1215492007.db2.gz MUQKZADBMVPAHD-CTYIDZIISA-N 1 0 334.420 2.162 20 5 EEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000796393252 1217251181 /nfs/dbraw/zinc/25/11/81/1217251181.db2.gz HQLBGHKKCSCTPL-RNCFNFMXSA-N 1 0 327.381 2.404 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001039583033 1230702769 /nfs/dbraw/zinc/70/27/69/1230702769.db2.gz ABGJNQFHSINIKU-YYIAUSFCSA-N 1 0 333.432 2.217 20 5 EEBDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000900401217 1234318290 /nfs/dbraw/zinc/31/82/90/1234318290.db2.gz CQJJTWKECCHXMF-UHFFFAOYSA-N 1 0 348.447 2.017 20 5 EEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCCCC1 ZINC000801795987 1236203644 /nfs/dbraw/zinc/20/36/44/1236203644.db2.gz HFTGOCJQCCGOOI-UHFFFAOYSA-N 1 0 338.383 2.310 20 5 EEBDRO O=C(NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001096243044 1236589846 /nfs/dbraw/zinc/58/98/46/1236589846.db2.gz LGJYTZUVAMSJPO-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO O=C(N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1)C1(CF)CC1 ZINC001049048994 1239854399 /nfs/dbraw/zinc/85/43/99/1239854399.db2.gz PUPXRUKPZFBBKW-GASCZTMLSA-N 1 0 347.390 2.235 20 5 EEBDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000903376577 1240343839 /nfs/dbraw/zinc/34/38/39/1240343839.db2.gz FRLLISSPOUXEPC-ZDUSSCGKSA-N 1 0 336.388 2.294 20 5 EEBDRO O=C(NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400323 1242198189 /nfs/dbraw/zinc/19/81/89/1242198189.db2.gz QJFDNAKFOZSTPD-HZPDHXFCSA-N 1 0 335.448 2.060 20 5 EEBDRO [NH3+][C@@H](CC(F)F)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903896175 1242373889 /nfs/dbraw/zinc/37/38/89/1242373889.db2.gz SVTLAUJBQFTATL-NSHDSACASA-N 1 0 329.347 2.421 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC001097245236 1243872399 /nfs/dbraw/zinc/87/23/99/1243872399.db2.gz DQUSBALXZZZRHD-GASCZTMLSA-N 1 0 346.431 2.304 20 5 EEBDRO CCCN(CCNC(=O)C12CC[NH+](CC1)C2)c1ccccc1[N+](=O)[O-] ZINC001101166897 1245474789 /nfs/dbraw/zinc/47/47/89/1245474789.db2.gz CJPHNFTYUDHXRL-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826865430 1248101723 /nfs/dbraw/zinc/10/17/23/1248101723.db2.gz OZVUAXNRPPLPCZ-QGZVFWFLSA-N 1 0 347.415 2.151 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571986 1278149299 /nfs/dbraw/zinc/14/92/99/1278149299.db2.gz RKKOOZZUZLZOJM-ONGXEEELSA-N 1 0 332.326 2.464 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000780714928 1278730112 /nfs/dbraw/zinc/73/01/12/1278730112.db2.gz HKDJUGLCRORUFI-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850555131 1277266115 /nfs/dbraw/zinc/26/61/15/1277266115.db2.gz HGTSIYXNLOEMJJ-NEPJUHHUSA-N 1 0 334.420 2.475 20 5 EEBDRO COCCCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199674743 1285769093 /nfs/dbraw/zinc/76/90/93/1285769093.db2.gz MGBQFHYCQGJPSZ-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107670738 1290597780 /nfs/dbraw/zinc/59/77/80/1290597780.db2.gz JOOHKWOBRSKWSJ-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc(N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001110610190 1290986541 /nfs/dbraw/zinc/98/65/41/1290986541.db2.gz RFEGPXSJYOKGHG-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C ZINC000853569693 1292418409 /nfs/dbraw/zinc/41/84/09/1292418409.db2.gz DPBFDXYZDXEJNQ-HNNXBMFYSA-N 1 0 349.431 2.460 20 5 EEBDRO Nc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000856413419 1293519524 /nfs/dbraw/zinc/51/95/24/1293519524.db2.gz GMVWPGFLMCZRBO-UHFFFAOYSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000856414167 1293520273 /nfs/dbraw/zinc/52/02/73/1293520273.db2.gz BNQYFMGAMCMQSH-UHFFFAOYSA-N 1 0 346.431 2.337 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000857619413 1293869560 /nfs/dbraw/zinc/86/95/60/1293869560.db2.gz QSJFTZWTPLQJCS-UHFFFAOYSA-N 1 0 338.364 2.273 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc3c2C[NH2+]CC3)n1 ZINC001217192222 1297376501 /nfs/dbraw/zinc/37/65/01/1297376501.db2.gz GCAHXVQKBVEKIJ-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001217964900 1297538157 /nfs/dbraw/zinc/53/81/57/1297538157.db2.gz JMNVEECVFGSVKF-HQJQHLMTSA-N 1 0 348.140 2.186 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101787442 1299857606 /nfs/dbraw/zinc/85/76/06/1299857606.db2.gz RILQPOJPQSGWOJ-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO COC(=O)[C@@H](OCC[N+](C)(C)C)c1cccc(Br)c1 ZINC001224776335 1300733291 /nfs/dbraw/zinc/73/32/91/1300733291.db2.gz VNFSOKCKOMDHBG-ZDUSSCGKSA-N 1 0 331.230 2.386 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(C)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001226971243 1301630777 /nfs/dbraw/zinc/63/07/77/1301630777.db2.gz JOILPFNMZWRFES-UGQVUOCMSA-N 1 0 334.372 2.449 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228140599 1302121459 /nfs/dbraw/zinc/12/14/59/1302121459.db2.gz KDRQXCHDTUAWOA-OCCSQVGLSA-N 1 0 344.371 2.380 20 5 EEBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001230367548 1303180630 /nfs/dbraw/zinc/18/06/30/1303180630.db2.gz DWGMHDZOIZOHBP-CYBMUJFWSA-N 1 0 340.811 2.484 20 5 EEBDRO COc1c(OC(C)=O)ccc2c(O[C@H](C)C[N+](C)(C)C)ncnc21 ZINC001231192623 1303676023 /nfs/dbraw/zinc/67/60/23/1303676023.db2.gz HOVAUVZRCYMFSG-LLVKDONJSA-N 1 0 334.396 2.037 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC000783678865 1304326049 /nfs/dbraw/zinc/32/60/49/1304326049.db2.gz LRCFTXMYLBVLJC-HNNXBMFYSA-N 1 0 342.779 2.450 20 5 EEBDRO CSCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233672108 1304553182 /nfs/dbraw/zinc/55/31/82/1304553182.db2.gz ULVRLSMYKBATFN-UHFFFAOYSA-N 1 0 325.434 2.286 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)c2c1ncn2C ZINC001234874469 1305044048 /nfs/dbraw/zinc/04/40/48/1305044048.db2.gz AYOHIFTYRYUUNZ-VIFPVBQESA-N 1 0 328.234 2.204 20 5 EEBDRO C/C=C(/C)C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001115473448 1305182288 /nfs/dbraw/zinc/18/22/88/1305182288.db2.gz ZFDABJVABADTNR-PQMHYQBVSA-N 1 0 349.435 2.203 20 5 EEBDRO CCOc1cc(NCC(C)(C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001116452282 1305885189 /nfs/dbraw/zinc/88/51/89/1305885189.db2.gz PMELECHBMUVKCU-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001121936723 1310177927 /nfs/dbraw/zinc/17/79/27/1310177927.db2.gz MNXNNAKLBOVPRA-OAHLLOKOSA-N 1 0 325.796 2.378 20 5 EEBDRO COc1ccc(C[C@@H](C)N2CC[NH2+]C[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986573 1310490400 /nfs/dbraw/zinc/49/04/00/1310490400.db2.gz FCANFKYGROWFGG-QMTHXVAHSA-N 1 0 347.337 2.371 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000033865923 1314489727 /nfs/dbraw/zinc/48/97/27/1314489727.db2.gz XCSAWZBGJULQOW-CQSZACIVSA-N 1 0 331.372 2.036 20 5 EEBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000839732746 1315238733 /nfs/dbraw/zinc/23/87/33/1315238733.db2.gz CUUTYSYLQDDDAE-IAGOWNOFSA-N 1 0 346.431 2.129 20 5 EEBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000840036609 1315280056 /nfs/dbraw/zinc/28/00/56/1315280056.db2.gz SOTLJEVSAOXGAC-SUMWQHHRSA-N 1 0 331.372 2.221 20 5 EEBDRO Cc1nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ncc([N+](=O)[O-])cc12 ZINC000840085726 1315289977 /nfs/dbraw/zinc/28/99/77/1315289977.db2.gz GSVJZSLPHNQJGG-QGZVFWFLSA-N 1 0 344.419 2.023 20 5 EEBDRO C[NH+](C)C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000841454833 1315557413 /nfs/dbraw/zinc/55/74/13/1315557413.db2.gz JCGQOSUPXPCRBX-UHFFFAOYSA-N 1 0 329.759 2.140 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842860980 1315786285 /nfs/dbraw/zinc/78/62/85/1315786285.db2.gz YIPKNEBUBWHDFN-LLVKDONJSA-N 1 0 347.824 2.140 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000843064750 1315833711 /nfs/dbraw/zinc/83/37/11/1315833711.db2.gz BSALSXAZTCOYKH-MAUKXSAKSA-N 1 0 330.384 2.069 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CCO)c2ccccc2)cc1 ZINC000843078646 1315836266 /nfs/dbraw/zinc/83/62/66/1315836266.db2.gz ZTLWFWAZCVUXJA-FUHWJXTLSA-N 1 0 330.384 2.384 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843454166 1315917791 /nfs/dbraw/zinc/91/77/91/1315917791.db2.gz OJFNQSDWOYOWBS-GFCCVEGCSA-N 1 0 336.348 2.026 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000843468493 1315919821 /nfs/dbraw/zinc/91/98/21/1315919821.db2.gz UTKBTPWMJSUUSR-JTQLQIEISA-N 1 0 329.759 2.188 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000843472782 1315920270 /nfs/dbraw/zinc/92/02/70/1315920270.db2.gz BNVRNUZSHGTRMJ-NSHDSACASA-N 1 0 336.348 2.012 20 5 EEBDRO O=C(CCOc1ccccc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150923093 1316410398 /nfs/dbraw/zinc/41/03/98/1316410398.db2.gz NIAQSIFQOAHNRC-UHFFFAOYSA-N 1 0 343.383 2.270 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2c1 ZINC001155484609 1317617434 /nfs/dbraw/zinc/61/74/34/1317617434.db2.gz ODCQAVJYFGGDLL-DDHOLCJHSA-N 1 0 348.790 2.443 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155561724 1317652032 /nfs/dbraw/zinc/65/20/32/1317652032.db2.gz ONYVOYANTIWRGV-GFCCVEGCSA-N 1 0 348.384 2.484 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592039 1317663399 /nfs/dbraw/zinc/66/33/99/1317663399.db2.gz LSITUHYBLGSSCV-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO Nc1cc(NCc2cccnc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001156000267 1317823979 /nfs/dbraw/zinc/82/39/79/1317823979.db2.gz TUYCWMZXRTYEAO-UHFFFAOYSA-N 1 0 328.376 2.046 20 5 EEBDRO CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156180355 1317910291 /nfs/dbraw/zinc/91/02/91/1317910291.db2.gz DWFRORCZOQUSBH-UHFFFAOYSA-N 1 0 339.705 2.245 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3ccncc3)CC2)cc1 ZINC001254468178 1318081633 /nfs/dbraw/zinc/08/16/33/1318081633.db2.gz GJKBUOYZSZRXFX-SFHVURJKSA-N 1 0 342.399 2.282 20 5 EEBDRO CCOC(=O)[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480117 1318083692 /nfs/dbraw/zinc/08/36/92/1318083692.db2.gz VKCRQSLYCWPNNL-CQSZACIVSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001254530794 1318109068 /nfs/dbraw/zinc/10/90/68/1318109068.db2.gz BDVKHUVSJCCYQA-HIFRSBDPSA-N 1 0 327.388 2.184 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NCc1ccco1 ZINC001254535182 1318114515 /nfs/dbraw/zinc/11/45/15/1318114515.db2.gz IBNDPIKFMPAILZ-CYBMUJFWSA-N 1 0 331.372 2.415 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001254539427 1318115061 /nfs/dbraw/zinc/11/50/61/1318115061.db2.gz HNFHGEIYMLFOIE-OWQGQXMQSA-N 1 0 330.384 2.210 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001254560344 1318121697 /nfs/dbraw/zinc/12/16/97/1318121697.db2.gz FDCZVMDCSCPWFJ-COXVUDFISA-N 1 0 343.427 2.326 20 5 EEBDRO CCc1nnc2ccc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cn21 ZINC001254588514 1318136150 /nfs/dbraw/zinc/13/61/50/1318136150.db2.gz ZYNGXTOEKIVLSZ-OAHLLOKOSA-N 1 0 337.383 2.457 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001254595283 1318139334 /nfs/dbraw/zinc/13/93/34/1318139334.db2.gz ICLPACAZVKAWKX-SFHVURJKSA-N 1 0 327.428 2.480 20 5 EEBDRO CCNC(=O)OC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607657 1318142517 /nfs/dbraw/zinc/14/25/17/1318142517.db2.gz LQUQFFNJPUFMPM-HNNXBMFYSA-N 1 0 333.388 2.273 20 5 EEBDRO O=C(/C=C\c1ccc[nH]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157073993 1318384504 /nfs/dbraw/zinc/38/45/04/1318384504.db2.gz LQABKOQMTRVGGZ-TWGQIWQCSA-N 1 0 328.372 2.232 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC001256087359 1318644866 /nfs/dbraw/zinc/64/48/66/1318644866.db2.gz YGRUOOQUPSPHBR-ZBFHGGJFSA-N 1 0 335.404 2.075 20 5 EEBDRO [NH3+][C@H]1CCc2nn(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)cc2C1 ZINC001157979085 1318957089 /nfs/dbraw/zinc/95/70/89/1318957089.db2.gz BMTUKOWBKACTPY-VIFPVBQESA-N 1 0 343.721 2.253 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)cc2C1 ZINC001157980207 1318957210 /nfs/dbraw/zinc/95/72/10/1318957210.db2.gz OPMXWXORGWBOJA-MRVPVSSYSA-N 1 0 343.721 2.253 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC001158261939 1319122263 /nfs/dbraw/zinc/12/22/63/1319122263.db2.gz PSTRYUIPWJXTCZ-CQSZACIVSA-N 1 0 341.415 2.145 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3cccc([N+](=O)[O-])c3n2)O1 ZINC001159239933 1319700376 /nfs/dbraw/zinc/70/03/76/1319700376.db2.gz JSWUCMYWDCFOST-CPUCHLNUSA-N 1 0 346.387 2.280 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159570737 1319895928 /nfs/dbraw/zinc/89/59/28/1319895928.db2.gz CDRCCOKUEGLPMG-UHFFFAOYSA-N 1 0 327.388 2.447 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160198501 1320097006 /nfs/dbraw/zinc/09/70/06/1320097006.db2.gz BOLXZVFYDCOHEG-LBPRGKRZSA-N 1 0 337.339 2.396 20 5 EEBDRO Cc1nc(Cl)nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160735049 1320253826 /nfs/dbraw/zinc/25/38/26/1320253826.db2.gz BWTKMBNIPSESEH-RNFRBKRXSA-N 1 0 339.705 2.299 20 5 EEBDRO CN1CC[NH+](CCCNc2ncc(F)c3cc([N+](=O)[O-])ccc32)CC1 ZINC001161703932 1320593673 /nfs/dbraw/zinc/59/36/73/1320593673.db2.gz SENJAHQAHGHAFR-UHFFFAOYSA-N 1 0 347.394 2.332 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001162097177 1320747950 /nfs/dbraw/zinc/74/79/50/1320747950.db2.gz JPGQKCSFMXRWQL-JTQLQIEISA-N 1 0 332.326 2.319 20 5 EEBDRO [NH3+]Cc1cccc(-c2cncn2-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c1 ZINC001162564987 1320899786 /nfs/dbraw/zinc/89/97/86/1320899786.db2.gz MTEOYHCGVCKOHN-UHFFFAOYSA-N 1 0 345.746 2.193 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162582886 1320904264 /nfs/dbraw/zinc/90/42/64/1320904264.db2.gz GKAKESLOUDLMCY-ZDUSSCGKSA-N 1 0 325.369 2.493 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162795898 1320960349 /nfs/dbraw/zinc/96/03/49/1320960349.db2.gz BCMXRBHSKRAVCT-FSDSQADBSA-N 1 0 349.700 2.243 20 5 EEBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ccc2ccc3cccnc3c2n1 ZINC001163438993 1321125982 /nfs/dbraw/zinc/12/59/82/1321125982.db2.gz QVVPIYKQEPIYNP-HNNXBMFYSA-N 1 0 337.427 2.439 20 5 EEBDRO Nc1nc(-n2c3ccccc3nc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001163763048 1321212111 /nfs/dbraw/zinc/21/21/11/1321212111.db2.gz QJZSPBRMRBBIKI-UHFFFAOYSA-N 1 0 338.371 2.378 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001164494613 1321395775 /nfs/dbraw/zinc/39/57/75/1321395775.db2.gz OVFFBKKXRNYWGS-IAGOWNOFSA-N 1 0 345.443 2.345 20 5 EEBDRO COCCC[NH+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165097517 1321454298 /nfs/dbraw/zinc/45/42/98/1321454298.db2.gz KLKAITQYZGIAFM-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3F)CCC2)c1 ZINC001262569423 1322325116 /nfs/dbraw/zinc/32/51/16/1322325116.db2.gz YFVWPRDQUUCJNQ-CQSZACIVSA-N 1 0 348.378 2.003 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263201570 1322443335 /nfs/dbraw/zinc/44/33/35/1322443335.db2.gz IDTAILHYRSUZGJ-HZSPNIEDSA-N 1 0 346.431 2.406 20 5 EEBDRO C[NH+]1CCN(c2cncc(Nc3ccc(O)c([N+](=O)[O-])c3)c2)CC1 ZINC001210395892 1325264589 /nfs/dbraw/zinc/26/45/89/1325264589.db2.gz ICJVTGHAJZNOFV-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO Cn1ccc(CC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])n1 ZINC001308363301 1331586283 /nfs/dbraw/zinc/58/62/83/1331586283.db2.gz SJURMGTTZYYQKJ-UHFFFAOYSA-N 1 0 339.193 2.423 20 5 EEBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309965120 1331649900 /nfs/dbraw/zinc/64/99/00/1331649900.db2.gz HTOPDVHHKLPUHB-LLVKDONJSA-N 1 0 347.412 2.133 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329114900 1334588619 /nfs/dbraw/zinc/58/86/19/1334588619.db2.gz RGRAKYQBBXFAQQ-KWQFWETISA-N 1 0 331.294 2.239 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])cc1F ZINC001331046812 1334952794 /nfs/dbraw/zinc/95/27/94/1334952794.db2.gz YUJVIBMTVJFJEE-OLZOCXBDSA-N 1 0 339.367 2.345 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCCCO)CC2)c2ccccc21 ZINC001331133470 1334969043 /nfs/dbraw/zinc/96/90/43/1334969043.db2.gz IHNVNHLDCWILDM-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO C[C@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000847958684 1338402713 /nfs/dbraw/zinc/40/27/13/1338402713.db2.gz MWYUUMUFHBTCBZ-LLVKDONJSA-N 1 0 336.344 2.355 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC001575799650 1343888611 /nfs/dbraw/zinc/88/86/11/1343888611.db2.gz XHKGZPMOPFMGEB-HNNXBMFYSA-N 1 0 335.404 2.500 20 5 EEBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001576885196 1344071202 /nfs/dbraw/zinc/07/12/02/1344071202.db2.gz CJHCXOILCPMAND-GZMMTYOYSA-N 1 0 343.177 2.399 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579577668 1344396620 /nfs/dbraw/zinc/39/66/20/1344396620.db2.gz XGOPBONYVAOUBX-CQSZACIVSA-N 1 0 347.415 2.195 20 5 EEBDRO CC(C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001589457308 1348992148 /nfs/dbraw/zinc/99/21/48/1348992148.db2.gz SFDCNIHBXHIOMN-OAHLLOKOSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590261977 1349237266 /nfs/dbraw/zinc/23/72/66/1349237266.db2.gz RVFAPPPKPGPTRI-JTQLQIEISA-N 1 0 349.370 2.058 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590260759 1349237625 /nfs/dbraw/zinc/23/76/25/1349237625.db2.gz RVCAGJCTDYFNAB-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO COCC1(C)CC[NH+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591386631 1349477419 /nfs/dbraw/zinc/47/74/19/1349477419.db2.gz SNCSIYWXVONGMW-UHFFFAOYSA-N 1 0 346.391 2.023 20 5 EEBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001603552317 1350718827 /nfs/dbraw/zinc/71/88/27/1350718827.db2.gz XGEVRLCYDDMLLU-GFCCVEGCSA-N 1 0 345.407 2.309 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823925472 1368095999 /nfs/dbraw/zinc/09/59/99/1368095999.db2.gz XZLBOXVNZIOCJY-KRWDZBQOSA-N 1 0 343.383 2.006 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794634942 1369591173 /nfs/dbraw/zinc/59/11/73/1369591173.db2.gz ATYOMEXTLBYTBK-CYBMUJFWSA-N 1 0 348.403 2.124 20 5 EEBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122822955 1372077769 /nfs/dbraw/zinc/07/77/69/1372077769.db2.gz LFNZCTMDOWNQLU-ZDUSSCGKSA-N 1 0 338.456 2.239 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000832024959 1372407427 /nfs/dbraw/zinc/40/74/27/1372407427.db2.gz GXTALQADVLPCSL-AWEZNQCLSA-N 1 0 325.384 2.380 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC001357260469 1373213820 /nfs/dbraw/zinc/21/38/20/1373213820.db2.gz PHQIWSQSNQQFRG-WQANXHIZSA-N 1 0 340.379 2.262 20 5 EEBDRO O=C(CC(F)(F)F)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001752844063 1406479462 /nfs/dbraw/zinc/47/94/62/1406479462.db2.gz BJVSQZAYNJSCST-YABSGUDNSA-N 1 0 343.305 2.094 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001579414460 1403782159 /nfs/dbraw/zinc/78/21/59/1403782159.db2.gz DODAOVFVECHELD-SECBINFHSA-N 1 0 343.330 2.314 20 5 EEBDRO C[NH+](C)CCOc1cc(NCc2ccnc(N)c2)ccc1[N+](=O)[O-] ZINC001167616476 760741119 /nfs/dbraw/zinc/74/11/19/760741119.db2.gz JCAMUODQFMQZSZ-UHFFFAOYSA-N 1 0 331.376 2.125 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1C1CCC1 ZINC001127534873 770600742 /nfs/dbraw/zinc/60/07/42/770600742.db2.gz SIHATJPYXSTJIN-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001106922127 778764603 /nfs/dbraw/zinc/76/46/03/778764603.db2.gz NCCHFVWACRVNJH-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO C[NH+]1CCC2(CCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000893877135 780267690 /nfs/dbraw/zinc/26/76/90/780267690.db2.gz UQDFBPSOBADIBI-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000894101530 780752868 /nfs/dbraw/zinc/75/28/68/780752868.db2.gz IAMKVPRUKKOCLC-CYBMUJFWSA-N 1 0 344.415 2.367 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091470776 790931424 /nfs/dbraw/zinc/93/14/24/790931424.db2.gz DRDDIVARXADVFO-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO CN(C)Cc1cnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809735936 783346202 /nfs/dbraw/zinc/34/62/02/783346202.db2.gz AMOMAJSTXBGKHD-UHFFFAOYSA-N 1 0 335.433 2.078 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000817374178 784722133 /nfs/dbraw/zinc/72/21/33/784722133.db2.gz JFWUOKOKFQOTCS-KRWDZBQOSA-N 1 0 329.404 2.442 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818554962 785290701 /nfs/dbraw/zinc/29/07/01/785290701.db2.gz DZNHGEJRXPSBMM-SNVBAGLBSA-N 1 0 331.775 2.419 20 5 EEBDRO CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818959785 785344382 /nfs/dbraw/zinc/34/43/82/785344382.db2.gz SZSSVLSEWHBVJK-QGZVFWFLSA-N 1 0 343.383 2.168 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000819070313 785411973 /nfs/dbraw/zinc/41/19/73/785411973.db2.gz ZDYRRTPLPYNZGR-KRWDZBQOSA-N 1 0 328.368 2.395 20 5 EEBDRO CN(C(=O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000819132856 785436689 /nfs/dbraw/zinc/43/66/89/785436689.db2.gz GVNQTZNDAPHLPH-MRXNPFEDSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000821081532 786591463 /nfs/dbraw/zinc/59/14/63/786591463.db2.gz QLIFSENIQJVZRS-HNNXBMFYSA-N 1 0 349.431 2.178 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107470646 787324725 /nfs/dbraw/zinc/32/47/25/787324725.db2.gz AQJQRUPXPXHPFZ-ONEGZZNKSA-N 1 0 332.404 2.021 20 5 EEBDRO C[NH+](C)CCCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107475205 787349233 /nfs/dbraw/zinc/34/92/33/787349233.db2.gz GZKIOSMBDDQHBE-ONEGZZNKSA-N 1 0 338.383 2.160 20 5 EEBDRO Nc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000823985976 788009722 /nfs/dbraw/zinc/00/97/22/788009722.db2.gz FWGHZGKIROHGGT-LBPRGKRZSA-N 1 0 333.392 2.127 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912346637 788122591 /nfs/dbraw/zinc/12/25/91/788122591.db2.gz BUTYAHVWTCESGG-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO CC(=O)c1ccc([C@H](C)Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1 ZINC001171054993 788178834 /nfs/dbraw/zinc/17/88/34/788178834.db2.gz YVIUJOLWIASZOP-JTQLQIEISA-N 1 0 341.371 2.447 20 5 EEBDRO C[C@@H]1CCC[C@@](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000825384006 788602319 /nfs/dbraw/zinc/60/23/19/788602319.db2.gz FFVVAWYECSHUHZ-MZMPZRCHSA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825401148 788613811 /nfs/dbraw/zinc/61/38/11/788613811.db2.gz ZIVCOUZCBAMOKE-OEUWWYETSA-N 1 0 349.431 2.111 20 5 EEBDRO COc1ncc([N+](=O)[O-])c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)n1 ZINC001171090809 788664357 /nfs/dbraw/zinc/66/43/57/788664357.db2.gz NHUYRRXRFQOHQY-JTQLQIEISA-N 1 0 339.355 2.153 20 5 EEBDRO Cc1nc[nH]c1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997436161 789905511 /nfs/dbraw/zinc/90/55/11/789905511.db2.gz LIELOKQQEJCWHK-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c([nH]1)CCCC2 ZINC001146889841 791562895 /nfs/dbraw/zinc/56/28/95/791562895.db2.gz MMDXOESKPNPJBV-UHFFFAOYSA-N 1 0 342.399 2.321 20 5 EEBDRO Cc1c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC001147300802 791774200 /nfs/dbraw/zinc/77/42/00/791774200.db2.gz DFDSUXIGPASFOP-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO O=C(CCCF)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001148071811 792133800 /nfs/dbraw/zinc/13/38/00/792133800.db2.gz RNIREWDNHSKOGM-UHFFFAOYSA-N 1 0 335.379 2.379 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001112360328 795343107 /nfs/dbraw/zinc/34/31/07/795343107.db2.gz NJWVZACDBLYKHP-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000921746459 795725891 /nfs/dbraw/zinc/72/58/91/795725891.db2.gz HSLJRQJNZVKEBC-LCGIIJARSA-N 1 0 340.445 2.253 20 5 EEBDRO COCCn1cncc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902168 797130374 /nfs/dbraw/zinc/13/03/74/797130374.db2.gz WJDQIHYQXQIWIJ-INIZCTEOSA-N 1 0 344.415 2.475 20 5 EEBDRO O=C(C1CC1)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914343 797148214 /nfs/dbraw/zinc/14/82/14/797148214.db2.gz GSNATDZEIXFYTP-QGZVFWFLSA-N 1 0 343.427 2.396 20 5 EEBDRO CCC(=O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008558 797195227 /nfs/dbraw/zinc/19/52/27/797195227.db2.gz BOGXRRZXGRBRBT-UHFFFAOYSA-N 1 0 327.331 2.411 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCCC2)c1F ZINC001173175493 797276476 /nfs/dbraw/zinc/27/64/76/797276476.db2.gz OJKSFLISGCDOKC-GFCCVEGCSA-N 1 0 325.384 2.359 20 5 EEBDRO COC(=O)CC[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193150 797282968 /nfs/dbraw/zinc/28/29/68/797282968.db2.gz QUHCYYUFOWTKOX-JTQLQIEISA-N 1 0 328.340 2.168 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccnn2)CC1 ZINC001173225057 797308639 /nfs/dbraw/zinc/30/86/39/797308639.db2.gz BEIYIQWQRKZUMO-AWEZNQCLSA-N 1 0 327.388 2.138 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001173233336 797312724 /nfs/dbraw/zinc/31/27/24/797312724.db2.gz KYWMVNMPDAECMD-QGZVFWFLSA-N 1 0 346.475 2.239 20 5 EEBDRO COC(=O)[C@H]1COCCC12C[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173234790 797313717 /nfs/dbraw/zinc/31/37/17/797313717.db2.gz UDSXOUAGRBYYHS-CZUORRHYSA-N 1 0 348.399 2.037 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095180931 797491973 /nfs/dbraw/zinc/49/19/73/797491973.db2.gz MEWVRYONBYRMLJ-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095186009 797496506 /nfs/dbraw/zinc/49/65/06/797496506.db2.gz IUCNBSQVWMNRPM-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000917014312 798020710 /nfs/dbraw/zinc/02/07/10/798020710.db2.gz RRKQGMMKZIGQDK-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO C[NH+](C)CCC(=O)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001089996078 799482955 /nfs/dbraw/zinc/48/29/55/799482955.db2.gz UUOFNFUCTYIOHS-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922589178 801428937 /nfs/dbraw/zinc/42/89/37/801428937.db2.gz IEXBMBVHEUWUAK-CYBMUJFWSA-N 1 0 327.812 2.449 20 5 EEBDRO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589233 801539750 /nfs/dbraw/zinc/53/97/50/801539750.db2.gz MWYWWAWVINDXNT-YYIAUSFCSA-N 1 0 337.464 2.258 20 5 EEBDRO Cc1ncn(-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)c1CSCC[NH3+] ZINC001168797988 803443662 /nfs/dbraw/zinc/44/36/62/803443662.db2.gz RLHQTHKCLLQEEZ-UHFFFAOYSA-N 1 0 348.432 2.053 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncnc4ccccc43)C2)C1 ZINC001168994077 803561503 /nfs/dbraw/zinc/56/15/03/803561503.db2.gz OQLMNYXGVZHODY-RBSFLKMASA-N 1 0 341.415 2.244 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001304 803566497 /nfs/dbraw/zinc/56/64/97/803566497.db2.gz FMVBUUBUZWGLMH-RSUWNVLCSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001169007657 803569113 /nfs/dbraw/zinc/56/91/13/803569113.db2.gz OYOFDTHLQYRNDR-QWHCGFSZSA-N 1 0 327.425 2.469 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169012546 803571503 /nfs/dbraw/zinc/57/15/03/803571503.db2.gz QXTLHCBYCMPMRD-GBJTYRQASA-N 1 0 339.436 2.373 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCCC1 ZINC001169044800 803586022 /nfs/dbraw/zinc/58/60/22/803586022.db2.gz IYOXRSXUWMFMOB-ZBFHGGJFSA-N 1 0 338.452 2.092 20 5 EEBDRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022264 803588383 /nfs/dbraw/zinc/58/83/83/803588383.db2.gz RKALXKPOUXIZLG-UONOGXRCSA-N 1 0 334.420 2.110 20 5 EEBDRO COc1cccnc1N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169057622 803597928 /nfs/dbraw/zinc/59/79/28/803597928.db2.gz WJRWXSCYCCICFP-DZGCQCFKSA-N 1 0 334.420 2.094 20 5 EEBDRO CCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001169488904 803811840 /nfs/dbraw/zinc/81/18/40/803811840.db2.gz IKPXLPBZETUDBL-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1cc(NCCCN(C)C(=O)Cc2ncc[nH]2)ccc1[N+](=O)[O-] ZINC001109506781 805562782 /nfs/dbraw/zinc/56/27/82/805562782.db2.gz PVDSHABMJZWVQB-UHFFFAOYSA-N 1 0 331.376 2.129 20 5 EEBDRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000787592563 807150556 /nfs/dbraw/zinc/15/05/56/807150556.db2.gz PIMSRYNAEMZNME-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2cccnc2)n1 ZINC000788434657 807513199 /nfs/dbraw/zinc/51/31/99/807513199.db2.gz FNYMOAOXJMOZRO-GJZGRUSLSA-N 1 0 331.376 2.339 20 5 EEBDRO Cc1c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000790541527 808810557 /nfs/dbraw/zinc/81/05/57/808810557.db2.gz FAXRACYGTOBTRF-NSHDSACASA-N 1 0 331.294 2.156 20 5 EEBDRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000791949427 809500621 /nfs/dbraw/zinc/50/06/21/809500621.db2.gz GDVBJXONCKQGCH-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC001170340461 809914400 /nfs/dbraw/zinc/91/44/00/809914400.db2.gz LWNHHNVVQPFUMJ-ACJLOTCBSA-N 1 0 347.415 2.137 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345376 809916440 /nfs/dbraw/zinc/91/64/40/809916440.db2.gz JNKJJYLHORVVIM-ZFWWWQNUSA-N 1 0 349.431 2.335 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351516 809920220 /nfs/dbraw/zinc/92/02/20/809920220.db2.gz CWFBHVGBXBHDGI-IUODEOHRSA-N 1 0 335.404 2.087 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCCO1 ZINC000804650519 810986987 /nfs/dbraw/zinc/98/69/87/810986987.db2.gz OHZXGELYDUZOSS-LBPRGKRZSA-N 1 0 338.364 2.416 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001130860393 812121151 /nfs/dbraw/zinc/12/11/51/812121151.db2.gz CHNLEGCFBGLJPI-UHFFFAOYSA-N 1 0 346.368 2.317 20 5 EEBDRO CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158203593 812340595 /nfs/dbraw/zinc/34/05/95/812340595.db2.gz ALAYWXGVAJYAIH-MRVPVSSYSA-N 1 0 331.829 2.338 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC001131389122 812776131 /nfs/dbraw/zinc/77/61/31/812776131.db2.gz POXRTYCNTHDHMA-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2ncccc2o1 ZINC001131443264 812835724 /nfs/dbraw/zinc/83/57/24/812835724.db2.gz JVLDNBQZWTYVQC-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO C[C@H](Nc1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001515990077 1118992503 /nfs/dbraw/zinc/99/25/03/1118992503.db2.gz RBKHNDCIRZFRRG-XPTSAGLGSA-N 1 0 330.791 2.434 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180908782 234027609 /nfs/dbraw/zinc/02/76/09/234027609.db2.gz KPDYWFIGWFDFCG-VXGBXAGGSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000029565202 202189800 /nfs/dbraw/zinc/18/98/00/202189800.db2.gz WQXCPZUBGZCAJA-YOGCLGLASA-N 1 0 334.376 2.350 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186776774 236016086 /nfs/dbraw/zinc/01/60/86/236016086.db2.gz LEGROPNTIBUKIZ-BBRMVZONSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000191928352 239385782 /nfs/dbraw/zinc/38/57/82/239385782.db2.gz VCFRNJOYSUKUJN-UHFFFAOYSA-N 1 0 349.412 2.053 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632207 240166705 /nfs/dbraw/zinc/16/67/05/240166705.db2.gz GJVKGSANNNUHQF-RDBSUJKOSA-N 1 0 334.420 2.147 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000193482353 240182648 /nfs/dbraw/zinc/18/26/48/240182648.db2.gz XGQUQEQHLZIKEP-PELKAZGASA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000422758358 240211507 /nfs/dbraw/zinc/21/15/07/240211507.db2.gz IWNZGWUFYLZJDG-RYUDHWBXSA-N 1 0 328.372 2.261 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424300881 240899297 /nfs/dbraw/zinc/89/92/97/240899297.db2.gz VBUYUXIVQOSVCY-OAUYIBNBSA-N 1 0 329.404 2.124 20 5 EEBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072717225 203243486 /nfs/dbraw/zinc/24/34/86/203243486.db2.gz HJHBJOIFJVWFMT-UHFFFAOYSA-N 1 0 343.449 2.382 20 5 EEBDRO CCCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC000093434338 203253255 /nfs/dbraw/zinc/25/32/55/203253255.db2.gz XQVHXBOMLMXPMB-SECBINFHSA-N 1 0 329.198 2.331 20 5 EEBDRO Cc1c(Br)c(N2C[C@H](C)[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000252881187 291482840 /nfs/dbraw/zinc/48/28/40/291482840.db2.gz YPNKVQXGGCASTB-JGVFFNPUSA-N 1 0 329.198 2.247 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH3+])cc1SC ZINC000262589222 245049427 /nfs/dbraw/zinc/04/94/27/245049427.db2.gz RCNYCLXELRAAJA-UHFFFAOYSA-N 1 0 341.433 2.382 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760343 245240545 /nfs/dbraw/zinc/24/05/45/245240545.db2.gz MHPZZEYFQRIMEY-HZPDHXFCSA-N 1 0 345.399 2.031 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459789612 245248158 /nfs/dbraw/zinc/24/81/58/245248158.db2.gz RPQQHIRDHFHBRD-OUAUKWLOSA-N 1 0 333.344 2.040 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000103452427 204079644 /nfs/dbraw/zinc/07/96/44/204079644.db2.gz BIQLYZZZLHNPTH-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000236942200 204145585 /nfs/dbraw/zinc/14/55/85/204145585.db2.gz WHUVYOHHMYYJKZ-FOSCPWQOSA-N 1 0 349.387 2.015 20 5 EEBDRO CCOC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247130893 205266842 /nfs/dbraw/zinc/26/68/42/205266842.db2.gz ZMBZGYBFLLUSHU-PBHICJAKSA-N 1 0 347.415 2.449 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263836483 245744787 /nfs/dbraw/zinc/74/47/87/245744787.db2.gz RLAFPFGEGXHNPL-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1nn(C)c(NCCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000264169347 246131736 /nfs/dbraw/zinc/13/17/36/246131736.db2.gz WJFABOQCJMYHSM-UHFFFAOYSA-N 1 0 347.419 2.232 20 5 EEBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000491796740 246156732 /nfs/dbraw/zinc/15/67/32/246156732.db2.gz NITWIOKCQBZELS-OICCZTGUSA-N 1 0 333.363 2.300 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264317223 246341826 /nfs/dbraw/zinc/34/18/26/246341826.db2.gz PIJVMXGIYARUKS-UHFFFAOYSA-N 1 0 333.392 2.271 20 5 EEBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160914840 206318427 /nfs/dbraw/zinc/31/84/27/206318427.db2.gz AVZBVHLJZXKTTL-INIZCTEOSA-N 1 0 333.388 2.107 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266021784 248037086 /nfs/dbraw/zinc/03/70/86/248037086.db2.gz QGMUQALPGLGOOR-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000174677553 207043427 /nfs/dbraw/zinc/04/34/27/207043427.db2.gz KZZZHETVTLVLHT-UHFFFAOYSA-N 1 0 334.376 2.083 20 5 EEBDRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(N)c([N+](=O)[O-])c1 ZINC000174989619 207080733 /nfs/dbraw/zinc/08/07/33/207080733.db2.gz QVDUFCQXJVDIAL-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000176873531 207269180 /nfs/dbraw/zinc/26/91/80/207269180.db2.gz YDQBGFCJGKOANU-GFCCVEGCSA-N 1 0 343.811 2.335 20 5 EEBDRO CN(CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000177484865 207344389 /nfs/dbraw/zinc/34/43/89/207344389.db2.gz ZYGPVOCSNIESJS-KGLIPLIRSA-N 1 0 334.420 2.020 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664076 285160291 /nfs/dbraw/zinc/16/02/91/285160291.db2.gz GHOZQYHWDLAGPK-WMHVBEDNSA-N 1 0 331.416 2.262 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178147539 255901675 /nfs/dbraw/zinc/90/16/75/255901675.db2.gz CTZRRNYEXJLRLO-OAHLLOKOSA-N 1 0 328.372 2.210 20 5 EEBDRO C[C@@H]1CN(CC[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000195304074 256009739 /nfs/dbraw/zinc/00/97/39/256009739.db2.gz QRTSOBPOARMJHG-GASCZTMLSA-N 1 0 337.420 2.015 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000267159036 256033009 /nfs/dbraw/zinc/03/30/09/256033009.db2.gz PJDBODKXUDXPJW-UHFFFAOYSA-N 1 0 347.415 2.497 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000268126611 256116032 /nfs/dbraw/zinc/11/60/32/256116032.db2.gz DABPIYCOYSCYAO-JSGCOSHPSA-N 1 0 328.372 2.316 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(C)(=O)=O ZINC000271178220 256216463 /nfs/dbraw/zinc/21/64/63/256216463.db2.gz VINSCBZYVUYYNU-LLVKDONJSA-N 1 0 332.447 2.100 20 5 EEBDRO Cc1nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000273242740 256279858 /nfs/dbraw/zinc/27/98/58/256279858.db2.gz UAFWGXVAICYXER-MRXNPFEDSA-N 1 0 342.399 2.477 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000273391320 256292340 /nfs/dbraw/zinc/29/23/40/256292340.db2.gz IBIMKTBYSMMJRY-KPXOXKRLSA-N 1 0 343.305 2.423 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183362931 533278857 /nfs/dbraw/zinc/27/88/57/533278857.db2.gz SLFSKRVFIWIVQY-VXGBXAGGSA-N 1 0 348.403 2.078 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191856272 533429968 /nfs/dbraw/zinc/42/99/68/533429968.db2.gz XKPKQKNQYDGRSU-STQMWFEESA-N 1 0 349.387 2.054 20 5 EEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000123440558 292281375 /nfs/dbraw/zinc/28/13/75/292281375.db2.gz PCVQIDKTWLGCTC-UHFFFAOYSA-N 1 0 349.840 2.209 20 5 EEBDRO COC(=O)c1cnc(N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000357684199 153286575 /nfs/dbraw/zinc/28/65/75/153286575.db2.gz OOLNJESLUMNZQZ-UHFFFAOYSA-N 1 0 338.408 2.331 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000374864067 286381115 /nfs/dbraw/zinc/38/11/15/286381115.db2.gz LOOCCIVBMSMYMM-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000246512831 286381259 /nfs/dbraw/zinc/38/12/59/286381259.db2.gz QPHKCFWDULSQKY-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236723 154100089 /nfs/dbraw/zinc/10/00/89/154100089.db2.gz GHJGLRAQMLNAJI-OLZOCXBDSA-N 1 0 336.388 2.470 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081335137 159150307 /nfs/dbraw/zinc/15/03/07/159150307.db2.gz FXVCBKWGZJPFGS-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083025865 159160767 /nfs/dbraw/zinc/16/07/67/159160767.db2.gz BTSYEARPGGDSDU-OKILXGFUSA-N 1 0 335.404 2.214 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188484233 160124304 /nfs/dbraw/zinc/12/43/04/160124304.db2.gz USZSCKOYPXAMTN-SJKOYZFVSA-N 1 0 344.415 2.266 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2CC1 ZINC000340150500 160903089 /nfs/dbraw/zinc/90/30/89/160903089.db2.gz UZUHYHUDOQNDOC-GJZGRUSLSA-N 1 0 346.431 2.245 20 5 EEBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341863329 161019603 /nfs/dbraw/zinc/01/96/03/161019603.db2.gz XNTABNWMXVBTKJ-UHFFFAOYSA-N 1 0 349.478 2.447 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000342755748 161088126 /nfs/dbraw/zinc/08/81/26/161088126.db2.gz QSHRVYQIBIEVAH-UHFFFAOYSA-N 1 0 340.383 2.133 20 5 EEBDRO Cc1cccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000343057146 161098970 /nfs/dbraw/zinc/09/89/70/161098970.db2.gz QWOXUBAQDXTYOS-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[N@@H+]1C ZINC000344233933 161209719 /nfs/dbraw/zinc/20/97/19/161209719.db2.gz CXONQUVLIWAMLF-WBMJQRKESA-N 1 0 332.404 2.145 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000345063814 161268625 /nfs/dbraw/zinc/26/86/25/161268625.db2.gz VSLFHMLTACGXTL-UHFFFAOYSA-N 1 0 334.376 2.039 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347261310 161438564 /nfs/dbraw/zinc/43/85/64/161438564.db2.gz LWKULIZCJMLKJS-UHFFFAOYSA-N 1 0 342.371 2.214 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000352868764 162321121 /nfs/dbraw/zinc/32/11/21/162321121.db2.gz DLZCKCSKFZQPAU-QWHCGFSZSA-N 1 0 341.433 2.088 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367927496 166021999 /nfs/dbraw/zinc/02/19/99/166021999.db2.gz OYYOBGZSDXFBRM-OAHLLOKOSA-N 1 0 333.388 2.463 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000359780077 164170422 /nfs/dbraw/zinc/17/04/22/164170422.db2.gz ASVCRIFTVJLKRO-NSHDSACASA-N 1 0 337.376 2.174 20 5 EEBDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180702438 298655237 /nfs/dbraw/zinc/65/52/37/298655237.db2.gz GOQYSHNTQBNZIW-RWMBFGLXSA-N 1 0 334.420 2.273 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000364640117 165217764 /nfs/dbraw/zinc/21/77/64/165217764.db2.gz AYUGQUBWKRITLC-ZIAGYGMSSA-N 1 0 332.356 2.417 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000365179215 165399508 /nfs/dbraw/zinc/39/95/08/165399508.db2.gz ORARNRMXUZGGFH-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374004083 167001901 /nfs/dbraw/zinc/00/19/01/167001901.db2.gz UXXDMOZFQPBCFB-UKRRQHHQSA-N 1 0 332.356 2.417 20 5 EEBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000274437473 269033632 /nfs/dbraw/zinc/03/36/32/269033632.db2.gz PIQGBPTVVSWVIY-NEPJUHHUSA-N 1 0 343.387 2.240 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)C3CCOCC3)co2)cc1 ZINC000275669433 269134546 /nfs/dbraw/zinc/13/45/46/269134546.db2.gz YVFLDMMIXPPZGO-UHFFFAOYSA-N 1 0 347.371 2.223 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278021386 269207651 /nfs/dbraw/zinc/20/76/51/269207651.db2.gz FKYQKLCHDPKCDZ-HNNXBMFYSA-N 1 0 332.404 2.411 20 5 EEBDRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278705257 269241564 /nfs/dbraw/zinc/24/15/64/269241564.db2.gz QQGLSCPKNSTDTH-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000154550260 273980013 /nfs/dbraw/zinc/98/00/13/273980013.db2.gz SVXJBTVBQWYGCV-KGLIPLIRSA-N 1 0 348.447 2.416 20 5 EEBDRO COC[C@@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261626158 274047339 /nfs/dbraw/zinc/04/73/39/274047339.db2.gz COSCIJIQWSKCLR-LBPRGKRZSA-N 1 0 334.298 2.189 20 5 EEBDRO C[C@H]1C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126411711 274604411 /nfs/dbraw/zinc/60/44/11/274604411.db2.gz ZLPKPRICPAXGMA-JTQLQIEISA-N 1 0 332.385 2.152 20 5 EEBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287930412 275006941 /nfs/dbraw/zinc/00/69/41/275006941.db2.gz QMHHBPNVDOVQIE-ABAIWWIYSA-N 1 0 344.371 2.117 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107601123 275011145 /nfs/dbraw/zinc/01/11/45/275011145.db2.gz PJIYVMDGVSTHAB-ZDUSSCGKSA-N 1 0 348.359 2.203 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291624089 275324103 /nfs/dbraw/zinc/32/41/03/275324103.db2.gz AZJXOUDDOPHKKE-KRWDZBQOSA-N 1 0 333.388 2.222 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291673785 275328752 /nfs/dbraw/zinc/32/87/52/275328752.db2.gz QIIWXFUTIBHFLS-SUMWQHHRSA-N 1 0 332.404 2.393 20 5 EEBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000342734616 277123952 /nfs/dbraw/zinc/12/39/52/277123952.db2.gz MAJGYYVNZLIGCE-MAZHCROVSA-N 1 0 331.416 2.458 20 5 EEBDRO C[NH2+]C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000429408864 277263268 /nfs/dbraw/zinc/26/32/68/277263268.db2.gz UVDRQXFXHQJMAA-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000374686898 277369047 /nfs/dbraw/zinc/36/90/47/277369047.db2.gz OVTGFIHDLCTAAJ-YYQUZTFQSA-N 1 0 348.399 2.321 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237600914 278181958 /nfs/dbraw/zinc/18/19/58/278181958.db2.gz DXZXSNIFFYAHJA-SECBINFHSA-N 1 0 348.325 2.221 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354919205 278238048 /nfs/dbraw/zinc/23/80/48/278238048.db2.gz MGNLQOGPKYEZKI-JTQLQIEISA-N 1 0 328.800 2.040 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000237622665 279148162 /nfs/dbraw/zinc/14/81/62/279148162.db2.gz DUJUILYWIGPFJF-HNNXBMFYSA-N 1 0 341.795 2.261 20 5 EEBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000264298247 280187261 /nfs/dbraw/zinc/18/72/61/280187261.db2.gz YHSLAIJMWYZZQZ-UHFFFAOYSA-N 1 0 337.424 2.210 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]([NH3+])[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000228017766 280198537 /nfs/dbraw/zinc/19/85/37/280198537.db2.gz ZOVAZXOQBHTYEO-CBAPKCEASA-N 1 0 329.198 2.234 20 5 EEBDRO Cc1c(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269193848 280203563 /nfs/dbraw/zinc/20/35/63/280203563.db2.gz OOUCKELRPSMJFH-UHFFFAOYSA-N 1 0 338.364 2.177 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293095431 293123624 /nfs/dbraw/zinc/12/36/24/293123624.db2.gz XIGRRQJQWXKJJB-KSSFIOAISA-N 1 0 346.431 2.340 20 5 EEBDRO COc1cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000296544171 294004289 /nfs/dbraw/zinc/00/42/89/294004289.db2.gz BPQKKVLXWGXXQH-LLVKDONJSA-N 1 0 341.339 2.015 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000296772854 294063526 /nfs/dbraw/zinc/06/35/26/294063526.db2.gz MUVAYTVOJJSYEH-CZUORRHYSA-N 1 0 345.399 2.110 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000296859380 294086186 /nfs/dbraw/zinc/08/61/86/294086186.db2.gz YTFVPIQNCWFKEO-UONOGXRCSA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000296951704 294110970 /nfs/dbraw/zinc/11/09/70/294110970.db2.gz XWYICTBSFWSIQR-BODMPHMZSA-N 1 0 344.415 2.419 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000297130355 294159902 /nfs/dbraw/zinc/15/99/02/294159902.db2.gz ZHBQBQBQECYLLA-UHFFFAOYSA-N 1 0 349.431 2.079 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2CC[NH+](C)C)c1F ZINC000297669411 294311649 /nfs/dbraw/zinc/31/16/49/294311649.db2.gz FWUFBMIQKSYJIQ-UHFFFAOYSA-N 1 0 335.339 2.053 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261943780 295240112 /nfs/dbraw/zinc/24/01/12/295240112.db2.gz LWAQSRQBHGHHBR-LLVKDONJSA-N 1 0 347.824 2.140 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCC[NH+]1CCCC1 ZINC000337275429 301431848 /nfs/dbraw/zinc/43/18/48/301431848.db2.gz QHPJJMGFLGPZKO-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327066 303004697 /nfs/dbraw/zinc/00/46/97/303004697.db2.gz CTIBABVVIQDDHN-SJLPKXTDSA-N 1 0 343.431 2.397 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358953 303005129 /nfs/dbraw/zinc/00/51/29/303005129.db2.gz CMWWYUKRLQPDBV-OFQRWUPVSA-N 1 0 329.404 2.277 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000332370400 311996573 /nfs/dbraw/zinc/99/65/73/311996573.db2.gz AOFCEETYADWZMJ-DLBZAZTESA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332570661 312026806 /nfs/dbraw/zinc/02/68/06/312026806.db2.gz WFCXQEBLPOURIX-IUODEOHRSA-N 1 0 332.404 2.281 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418434393 313813016 /nfs/dbraw/zinc/81/30/16/313813016.db2.gz VSQQIOLVNMOPJQ-CJNGLKHVSA-N 1 0 332.404 2.180 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000421705250 314145997 /nfs/dbraw/zinc/14/59/97/314145997.db2.gz QVHPXSDUMNUNTR-AWEZNQCLSA-N 1 0 332.404 2.335 20 5 EEBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430944836 314596757 /nfs/dbraw/zinc/59/67/57/314596757.db2.gz OFYKJHVOCHASPP-UHFFFAOYSA-N 1 0 340.811 2.118 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N2CCOCC2)CC1 ZINC000434782719 314865587 /nfs/dbraw/zinc/86/55/87/314865587.db2.gz HLXHHMORBAIZNW-RVDMUPIBSA-N 1 0 331.416 2.453 20 5 EEBDRO COc1ccc(-c2ccc(CN3CCO[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435396579 314900091 /nfs/dbraw/zinc/90/00/91/314900091.db2.gz ZKBJOYZPRPODEU-AWEZNQCLSA-N 1 0 347.371 2.023 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000527054858 317146554 /nfs/dbraw/zinc/14/65/54/317146554.db2.gz LQZHCZXXEDTOJG-IDKBZEPQSA-N 1 0 344.415 2.488 20 5 EEBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000530951887 317760090 /nfs/dbraw/zinc/76/00/90/317760090.db2.gz ZKRHYESRJRJOCV-UHFFFAOYSA-N 1 0 336.436 2.421 20 5 EEBDRO C[C@@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000562817248 318935172 /nfs/dbraw/zinc/93/51/72/318935172.db2.gz UNGCCWYLJYQBGH-QGZVFWFLSA-N 1 0 332.404 2.052 20 5 EEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1[NH+](C)C ZINC000565230562 319164901 /nfs/dbraw/zinc/16/49/01/319164901.db2.gz SVMRSHYTXUESDM-QWHCGFSZSA-N 1 0 340.449 2.259 20 5 EEBDRO C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000565665694 319202889 /nfs/dbraw/zinc/20/28/89/319202889.db2.gz MQUYHZKVAMAYTD-ZWKOPEQDSA-N 1 0 332.360 2.455 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000572900513 319887601 /nfs/dbraw/zinc/88/76/01/319887601.db2.gz HLFUXAGLRFWRRZ-CHWSQXEVSA-N 1 0 346.387 2.389 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COCc2ccccc2)c1 ZINC000578064160 320292083 /nfs/dbraw/zinc/29/20/83/320292083.db2.gz WIAFLRDMAQYBOA-GOSISDBHSA-N 1 0 330.384 2.305 20 5 EEBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000580554602 324086553 /nfs/dbraw/zinc/08/65/53/324086553.db2.gz ZDQPYBIPNLWOJM-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580964214 324160689 /nfs/dbraw/zinc/16/06/89/324160689.db2.gz ZHPDNQROBGXRSP-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCO[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581067704 324178637 /nfs/dbraw/zinc/17/86/37/324178637.db2.gz NLWGHJJGOKIYBV-BBRMVZONSA-N 1 0 333.388 2.471 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296051932 465065256 /nfs/dbraw/zinc/06/52/56/465065256.db2.gz FSQPAKVOHWRXBG-XKQJLSEDSA-N 1 0 345.399 2.389 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000358362390 465079889 /nfs/dbraw/zinc/07/98/89/465079889.db2.gz CSCDCEBPWMTHMY-TVQRCGJNSA-N 1 0 349.309 2.215 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347621837 465128531 /nfs/dbraw/zinc/12/85/31/465128531.db2.gz HNRYXXGRUVMKLM-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO C[N@H+](CCc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000341557192 465231407 /nfs/dbraw/zinc/23/14/07/465231407.db2.gz BRAUDNQAMJSDLN-UHFFFAOYSA-N 1 0 343.387 2.067 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000341927596 465274722 /nfs/dbraw/zinc/27/47/22/465274722.db2.gz DBSNLICRFWDQIO-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EEBDRO Nc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc1[N+](=O)[O-] ZINC000590569333 468274829 /nfs/dbraw/zinc/27/48/29/468274829.db2.gz PQXWGIVCFJLAPV-ZDUSSCGKSA-N 1 0 331.376 2.804 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1Cl ZINC000590570779 468274954 /nfs/dbraw/zinc/27/49/54/468274954.db2.gz ZXNRMELFJOVEBQ-CYBMUJFWSA-N 1 0 335.795 2.940 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000085408904 462545101 /nfs/dbraw/zinc/54/51/01/462545101.db2.gz ZDHRVMTUOCAJHI-HIFRSBDPSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000127515861 462560380 /nfs/dbraw/zinc/56/03/80/462560380.db2.gz YVRWNHPCYMBTOJ-GHMZBOCLSA-N 1 0 331.376 2.026 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000113229419 462579023 /nfs/dbraw/zinc/57/90/23/462579023.db2.gz BTIHRTVVLJFWCG-TZMCWYRMSA-N 1 0 335.429 2.382 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000074392833 462593471 /nfs/dbraw/zinc/59/34/71/462593471.db2.gz GNHWERTUTNBNHM-UHFFFAOYSA-N 1 0 339.367 2.102 20 5 EEBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCOCC1 ZINC000153122431 462617466 /nfs/dbraw/zinc/61/74/66/462617466.db2.gz HAABYWOAYFOIMH-QAPCUYQASA-N 1 0 347.459 2.474 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074763822 462631551 /nfs/dbraw/zinc/63/15/51/462631551.db2.gz DSLCIJHSBZFHTR-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000046034149 462638745 /nfs/dbraw/zinc/63/87/45/462638745.db2.gz BZAZHWWFMDASAG-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1SC ZINC000153398001 462646489 /nfs/dbraw/zinc/64/64/89/462646489.db2.gz ZTJDUMDTEYPCBW-AOOOYVTPSA-N 1 0 339.417 2.148 20 5 EEBDRO C[N@H+](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000089620256 462699092 /nfs/dbraw/zinc/69/90/92/462699092.db2.gz XKSIDQXFCDWAMX-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000090182943 462783687 /nfs/dbraw/zinc/78/36/87/462783687.db2.gz VMPKMENQMOTDPJ-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119387956 462896983 /nfs/dbraw/zinc/89/69/83/462896983.db2.gz ZGSGDFRIBJMWBL-UHFFFAOYSA-N 1 0 343.449 2.337 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590752254 468326197 /nfs/dbraw/zinc/32/61/97/468326197.db2.gz JEFFMLUXRDCBAN-OCCSQVGLSA-N 1 0 349.387 2.163 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000568381509 468327608 /nfs/dbraw/zinc/32/76/08/468327608.db2.gz QRBRTOGWCZYXHR-QGZVFWFLSA-N 1 0 333.388 2.209 20 5 EEBDRO CN(C)C(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505907 462953990 /nfs/dbraw/zinc/95/39/90/462953990.db2.gz ABUFCABIKRYRGC-QGZVFWFLSA-N 1 0 342.399 2.426 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000067118866 462967272 /nfs/dbraw/zinc/96/72/72/462967272.db2.gz LBHVKLAFHCBYBW-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000067753689 463046074 /nfs/dbraw/zinc/04/60/74/463046074.db2.gz FITANMPTPHWSCS-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CC(C)C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000023887540 463072554 /nfs/dbraw/zinc/07/25/54/463072554.db2.gz XEBOAGGLYOLYJF-GFCCVEGCSA-N 1 0 343.449 2.387 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000068202736 463104095 /nfs/dbraw/zinc/10/40/95/463104095.db2.gz BLABMJJWNHGJNP-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 ZINC000078628400 463134390 /nfs/dbraw/zinc/13/43/90/463134390.db2.gz JMIABZWBJVIEFM-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000157731287 463163520 /nfs/dbraw/zinc/16/35/20/463163520.db2.gz ZUGYKMMTAJZOMB-NEPJUHHUSA-N 1 0 340.383 2.498 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000160425386 463337227 /nfs/dbraw/zinc/33/72/27/463337227.db2.gz XRILTPLYYULVSY-FZMZJTMJSA-N 1 0 332.404 2.256 20 5 EEBDRO NC(=O)c1ccc(CN2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000141815354 463356547 /nfs/dbraw/zinc/35/65/47/463356547.db2.gz FCYRJZYLEUTYCB-UHFFFAOYSA-N 1 0 346.431 2.144 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCn1ccnc1 ZINC000124457545 463426557 /nfs/dbraw/zinc/42/65/57/463426557.db2.gz WJRVWHNWGLIMIJ-CYBMUJFWSA-N 1 0 331.376 2.140 20 5 EEBDRO C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000071954272 463478882 /nfs/dbraw/zinc/47/88/82/463478882.db2.gz GOJIEPNTZQJVCW-RYUDHWBXSA-N 1 0 345.403 2.364 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000151247909 463500867 /nfs/dbraw/zinc/50/08/67/463500867.db2.gz SARAGEPLIBKGHQ-INIZCTEOSA-N 1 0 330.388 2.488 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC)CC1 ZINC000041897000 463519171 /nfs/dbraw/zinc/51/91/71/463519171.db2.gz PPTXJCOJQUGJRF-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165933081 463650494 /nfs/dbraw/zinc/65/04/94/463650494.db2.gz LJCGGXZXXQFIFI-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286923812 463743992 /nfs/dbraw/zinc/74/39/92/463743992.db2.gz IPNXTQVCNIUVFC-JTQLQIEISA-N 1 0 329.784 2.083 20 5 EEBDRO Cc1nc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] ZINC000268472440 463756470 /nfs/dbraw/zinc/75/64/70/463756470.db2.gz JMSHVWSHOCUDPS-JTQLQIEISA-N 1 0 334.405 2.045 20 5 EEBDRO COc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000261697859 463831431 /nfs/dbraw/zinc/83/14/31/463831431.db2.gz OHRVXLZFRKYNJJ-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261711408 463835663 /nfs/dbraw/zinc/83/56/63/463835663.db2.gz BXNIYXUZBQYGGY-BONVTDFDSA-N 1 0 341.795 2.213 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1C ZINC000261813208 463868297 /nfs/dbraw/zinc/86/82/97/463868297.db2.gz VYGZEDBDEHNCCR-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261934079 463904515 /nfs/dbraw/zinc/90/45/15/463904515.db2.gz JXJWMXRXPCSQIV-JKSUJKDBSA-N 1 0 327.384 2.400 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171679339 463905200 /nfs/dbraw/zinc/90/52/00/463905200.db2.gz GDGSGYYJKFLREY-GFCCVEGCSA-N 1 0 349.391 2.286 20 5 EEBDRO Cc1cc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000194762179 463924495 /nfs/dbraw/zinc/92/44/95/463924495.db2.gz TUYUILRASHXNJE-OKILXGFUSA-N 1 0 335.404 2.084 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000269284952 463941076 /nfs/dbraw/zinc/94/10/76/463941076.db2.gz QVMBUKVWXNLVHH-ZBFHGGJFSA-N 1 0 330.388 2.274 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000178985980 464031421 /nfs/dbraw/zinc/03/14/21/464031421.db2.gz GVUMEAVVCBFWHS-OAHLLOKOSA-N 1 0 349.434 2.223 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000269621374 464036665 /nfs/dbraw/zinc/03/66/65/464036665.db2.gz DUVZDEVQLSOHEQ-GFCCVEGCSA-N 1 0 338.360 2.010 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000269865298 464116139 /nfs/dbraw/zinc/11/61/39/464116139.db2.gz XAWWPLVNOKQLOM-UBHSHLNASA-N 1 0 335.404 2.466 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)c(Br)c1 ZINC000269879901 464119172 /nfs/dbraw/zinc/11/91/72/464119172.db2.gz RJCMWQFQRDBRGX-UHFFFAOYSA-N 1 0 341.209 2.473 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907305 464125253 /nfs/dbraw/zinc/12/52/53/464125253.db2.gz HHCUQLHARSYNEL-SJLPKXTDSA-N 1 0 330.384 2.477 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907301 464125593 /nfs/dbraw/zinc/12/55/93/464125593.db2.gz HHCUQLHARSYNEL-AEFFLSMTSA-N 1 0 330.384 2.477 20 5 EEBDRO CC(C)C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000236683403 464218402 /nfs/dbraw/zinc/21/84/02/464218402.db2.gz FVINHVBDMUHDPX-AWEZNQCLSA-N 1 0 327.450 2.493 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173278046 464228660 /nfs/dbraw/zinc/22/86/60/464228660.db2.gz GVJXRVCRCWJJCW-CQSZACIVSA-N 1 0 332.404 2.293 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237478100 464326035 /nfs/dbraw/zinc/32/60/35/464326035.db2.gz FLIMFKRYDXPTBK-PWSUYJOCSA-N 1 0 341.795 2.274 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000188660549 464335713 /nfs/dbraw/zinc/33/57/13/464335713.db2.gz HIUGQKPFUJXZRF-UHFFFAOYSA-N 1 0 341.367 2.283 20 5 EEBDRO COc1ccc(OCCN(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281212986 464373932 /nfs/dbraw/zinc/37/39/32/464373932.db2.gz DHXPYMWKAMAMMM-UHFFFAOYSA-N 1 0 337.420 2.400 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237833798 464386617 /nfs/dbraw/zinc/38/66/17/464386617.db2.gz CJPGOIQJUDRMSM-LDYMZIIASA-N 1 0 342.193 2.215 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386596 464435544 /nfs/dbraw/zinc/43/55/44/464435544.db2.gz MYRIBOOSUOLBLQ-STQMWFEESA-N 1 0 333.388 2.023 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285295342 464514275 /nfs/dbraw/zinc/51/42/75/464514275.db2.gz PCKFBCLHEHXAHP-GJZGRUSLSA-N 1 0 347.415 2.065 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272275479 464546033 /nfs/dbraw/zinc/54/60/33/464546033.db2.gz DYLBABQKWIKXMG-UHFFFAOYSA-N 1 0 341.314 2.188 20 5 EEBDRO NC(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182114074 464573633 /nfs/dbraw/zinc/57/36/33/464573633.db2.gz JACUPJIYVOTEFB-JKSUJKDBSA-N 1 0 335.404 2.042 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294710753 464582941 /nfs/dbraw/zinc/58/29/41/464582941.db2.gz VZXBYZPNVOVMFH-UHFFFAOYSA-N 1 0 347.415 2.358 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000190012360 464585966 /nfs/dbraw/zinc/58/59/66/464585966.db2.gz NODKHOAZCGINQO-NVXWUHKLSA-N 1 0 338.404 2.259 20 5 EEBDRO CC(C)(NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000599929183 468416554 /nfs/dbraw/zinc/41/65/54/468416554.db2.gz YOXMUXSQWPTIBT-CQSZACIVSA-N 1 0 332.404 2.414 20 5 EEBDRO CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000285672086 464653219 /nfs/dbraw/zinc/65/32/19/464653219.db2.gz PZMANNOHIHHYDH-ZIAGYGMSSA-N 1 0 331.388 2.350 20 5 EEBDRO CC[N@@H+](Cc1c[nH]c2ccccc12)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190474070 464653990 /nfs/dbraw/zinc/65/39/90/464653990.db2.gz WECXLKFSKZPILT-HNNXBMFYSA-N 1 0 343.387 2.156 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)c1 ZINC000182679378 464708005 /nfs/dbraw/zinc/70/80/05/464708005.db2.gz OJYMJGGIGCTQQF-OALUTQOASA-N 1 0 339.395 2.375 20 5 EEBDRO C[C@H](c1nc(N)nc(Cl)n1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000295153580 464724215 /nfs/dbraw/zinc/72/42/15/464724215.db2.gz GHGIADPLIOAQCU-SECBINFHSA-N 1 0 336.783 2.251 20 5 EEBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000591155764 468417466 /nfs/dbraw/zinc/41/74/66/468417466.db2.gz TYJUFRVXAVBZBA-CHWSQXEVSA-N 1 0 326.397 2.145 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192131308 464872399 /nfs/dbraw/zinc/87/23/99/464872399.db2.gz FEUKSIMVLJSMCD-GJZGRUSLSA-N 1 0 338.314 2.189 20 5 EEBDRO CCN1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000286320873 464879110 /nfs/dbraw/zinc/87/91/10/464879110.db2.gz KVHCLCQMDBRMHP-SECBINFHSA-N 1 0 329.198 2.283 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249745001 464911602 /nfs/dbraw/zinc/91/16/02/464911602.db2.gz MIIJNYIGUNIGSP-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286484241 464934709 /nfs/dbraw/zinc/93/47/09/464934709.db2.gz RAOTUTDLVMQFPS-OCCSQVGLSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H](CO)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000276463280 464941760 /nfs/dbraw/zinc/94/17/60/464941760.db2.gz OWXBFVSVUKQTTQ-ZDUSSCGKSA-N 1 0 347.415 2.109 20 5 EEBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@@H+]1CCOC ZINC000192734218 464987572 /nfs/dbraw/zinc/98/75/72/464987572.db2.gz QTZCIDKRQPKFQE-CQSZACIVSA-N 1 0 339.440 2.057 20 5 EEBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286664300 464997838 /nfs/dbraw/zinc/99/78/38/464997838.db2.gz AZFLUACXPSOTCY-AWEZNQCLSA-N 1 0 337.376 2.184 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593912809 468430644 /nfs/dbraw/zinc/43/06/44/468430644.db2.gz QPWXXUWMQBJICD-VBQJREDUSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CC[C@H](C3CCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000591240532 468431194 /nfs/dbraw/zinc/43/11/94/468431194.db2.gz URZZBRIKZMVQFD-XJKSGUPXSA-N 1 0 343.383 2.349 20 5 EEBDRO C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593917380 468432653 /nfs/dbraw/zinc/43/26/53/468432653.db2.gz VDHXAHNKKIDXOB-UONOGXRCSA-N 1 0 335.404 2.340 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c(F)c1 ZINC000339759865 465493664 /nfs/dbraw/zinc/49/36/64/465493664.db2.gz JFFKXZVQDVIJRJ-HZPDHXFCSA-N 1 0 342.342 2.283 20 5 EEBDRO C[C@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000298819207 465515391 /nfs/dbraw/zinc/51/53/91/465515391.db2.gz FXWDWPZJCGDXRD-SJORKVTESA-N 1 0 333.388 2.471 20 5 EEBDRO CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343629347 465537056 /nfs/dbraw/zinc/53/70/56/465537056.db2.gz UAMZDKPVQBDWHU-HOTGVXAUSA-N 1 0 333.388 2.201 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000344612836 465721654 /nfs/dbraw/zinc/72/16/54/465721654.db2.gz JRXSZFFVXQAKAV-AWEZNQCLSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3COC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348640623 465724769 /nfs/dbraw/zinc/72/47/69/465724769.db2.gz HTHJOAVSZMWAKR-CVEARBPZSA-N 1 0 348.355 2.055 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000344662366 465761801 /nfs/dbraw/zinc/76/18/01/465761801.db2.gz IRTXOXDDLKZCHF-ZDUSSCGKSA-N 1 0 338.383 2.166 20 5 EEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371461449 465810943 /nfs/dbraw/zinc/81/09/43/465810943.db2.gz XYLLQQJICQJETG-QZTJIDSGSA-N 1 0 344.415 2.459 20 5 EEBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301995596 466076195 /nfs/dbraw/zinc/07/61/95/466076195.db2.gz HJWQBMLJUSZGPN-UHFFFAOYSA-N 1 0 344.415 2.344 20 5 EEBDRO COC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000361562948 466101461 /nfs/dbraw/zinc/10/14/61/466101461.db2.gz JSMGNJZQTATYCH-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302654982 466162923 /nfs/dbraw/zinc/16/29/23/466162923.db2.gz NTJFBWNFABYPOQ-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000354004178 466317315 /nfs/dbraw/zinc/31/73/15/466317315.db2.gz APXQLQAOXANLLY-AWEZNQCLSA-N 1 0 346.431 2.361 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000361832434 466331900 /nfs/dbraw/zinc/33/19/00/466331900.db2.gz YMVMBZUEUOEJAJ-NEPJUHHUSA-N 1 0 334.376 2.205 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332188833 466436023 /nfs/dbraw/zinc/43/60/23/466436023.db2.gz BVRTWTZZASBNQV-OLZOCXBDSA-N 1 0 335.404 2.376 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000347299429 466546601 /nfs/dbraw/zinc/54/66/01/466546601.db2.gz JJUFOOUOLAAFMI-AWEZNQCLSA-N 1 0 342.396 2.293 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000363674133 466552095 /nfs/dbraw/zinc/55/20/95/466552095.db2.gz OGHYELBDOXIVMB-RRQGHBQHSA-N 1 0 346.431 2.373 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000582193549 468505339 /nfs/dbraw/zinc/50/53/39/468505339.db2.gz OXTZSHUICIUQIQ-UHFFFAOYSA-N 1 0 349.435 2.038 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364718620 466713253 /nfs/dbraw/zinc/71/32/53/466713253.db2.gz PJWUGNNFJBSZSK-OAHLLOKOSA-N 1 0 342.399 2.808 20 5 EEBDRO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201278 466743813 /nfs/dbraw/zinc/74/38/13/466743813.db2.gz JNXYUIQZISHDNQ-RDJZCZTQSA-N 1 0 349.431 2.025 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000423495788 466758401 /nfs/dbraw/zinc/75/84/01/466758401.db2.gz VLZVEGHVFOOYFX-KGLIPLIRSA-N 1 0 339.461 2.434 20 5 EEBDRO COc1cc(CN2CCC(c3nnc[nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000373338450 466770089 /nfs/dbraw/zinc/77/00/89/466770089.db2.gz FADFRQYPONRMQU-UHFFFAOYSA-N 1 0 335.339 2.240 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)C[NH+]1CCCC1)CCCC2 ZINC000417306841 466828522 /nfs/dbraw/zinc/82/85/22/466828522.db2.gz AXYCOTGEPVRIHG-FUHWJXTLSA-N 1 0 333.432 2.409 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373790944 466920839 /nfs/dbraw/zinc/92/08/39/466920839.db2.gz PTFOSCTVYTYBCO-KBPBESRZSA-N 1 0 333.388 2.025 20 5 EEBDRO CC[N@H+](CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)C ZINC000411877886 466924063 /nfs/dbraw/zinc/92/40/63/466924063.db2.gz DLGDRVYXVDJBTC-UHFFFAOYSA-N 1 0 341.383 2.132 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000424037753 466959378 /nfs/dbraw/zinc/95/93/78/466959378.db2.gz HGDLYMANXSSJPM-MRXNPFEDSA-N 1 0 347.415 2.454 20 5 EEBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000424072436 466971740 /nfs/dbraw/zinc/97/17/40/466971740.db2.gz GHYSBYBBXZEJDO-CQSZACIVSA-N 1 0 340.383 2.313 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418538874 467125770 /nfs/dbraw/zinc/12/57/70/467125770.db2.gz LWXGHJFSCMQFNH-UHFFFAOYSA-N 1 0 332.404 2.435 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000413176864 467184376 /nfs/dbraw/zinc/18/43/76/467184376.db2.gz APEALSNRYYTAKY-TXEJJXNPSA-N 1 0 326.372 2.430 20 5 EEBDRO CC[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](CC)CC ZINC000427967973 467189627 /nfs/dbraw/zinc/18/96/27/467189627.db2.gz FBCHIGKRWFQFDN-OAHLLOKOSA-N 1 0 335.404 2.436 20 5 EEBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419344882 467191580 /nfs/dbraw/zinc/19/15/80/467191580.db2.gz SMPRDBHBHUJTQU-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000432136683 467218753 /nfs/dbraw/zinc/21/87/53/467218753.db2.gz DNMMLUKCQYUGCP-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000432390181 467237232 /nfs/dbraw/zinc/23/72/32/467237232.db2.gz YLDQEPSMEKUJFC-INIZCTEOSA-N 1 0 335.404 2.081 20 5 EEBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000419831576 467257773 /nfs/dbraw/zinc/25/77/73/467257773.db2.gz UVQIUDXSWRPHDU-HOCLYGCPSA-N 1 0 334.372 2.466 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433836338 467357764 /nfs/dbraw/zinc/35/77/64/467357764.db2.gz NXWFKGWFVUTLST-NEPJUHHUSA-N 1 0 337.424 2.434 20 5 EEBDRO NC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420381104 467386581 /nfs/dbraw/zinc/38/65/81/467386581.db2.gz YVBBIGBIAYHWOW-MRXNPFEDSA-N 1 0 334.420 2.421 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420456353 467413704 /nfs/dbraw/zinc/41/37/04/467413704.db2.gz AESWGPPHNVYTSJ-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420461823 467414998 /nfs/dbraw/zinc/41/49/98/467414998.db2.gz GYOPIRRTKGHASI-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2N1 ZINC000392350479 467426286 /nfs/dbraw/zinc/42/62/86/467426286.db2.gz MMMMBGCFVPROKY-NSHDSACASA-N 1 0 330.388 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414661798 467426873 /nfs/dbraw/zinc/42/68/73/467426873.db2.gz XZUGJOBIVGFJIZ-ZDUSSCGKSA-N 1 0 348.403 2.457 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573925 467442925 /nfs/dbraw/zinc/44/29/25/467442925.db2.gz NENLOVFHPFHTCE-YPMHNXCESA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430575001 467444027 /nfs/dbraw/zinc/44/40/27/467444027.db2.gz UIOYGDCLKOZNDD-WCQYABFASA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430922424 467475206 /nfs/dbraw/zinc/47/52/06/467475206.db2.gz AGMCREYIKHKPNM-SNVBAGLBSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420924510 467516267 /nfs/dbraw/zinc/51/62/67/467516267.db2.gz JZIKUKMGUCDMLO-OLZOCXBDSA-N 1 0 338.408 2.234 20 5 EEBDRO CNc1nc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454367804 467588210 /nfs/dbraw/zinc/58/82/10/467588210.db2.gz HUYMTVZGSABOEB-CQSZACIVSA-N 1 0 343.387 2.064 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450109061 467778776 /nfs/dbraw/zinc/77/87/76/467778776.db2.gz ZUFBIWNBOOVVOO-WBMJQRKESA-N 1 0 345.399 2.157 20 5 EEBDRO C[C@H](CO)[N@@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450471228 467856149 /nfs/dbraw/zinc/85/61/49/467856149.db2.gz CHSGWAKMWPDZIC-CYBMUJFWSA-N 1 0 330.388 2.036 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000458591686 467863400 /nfs/dbraw/zinc/86/34/00/467863400.db2.gz SKFPNFTXOOBNRY-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1F ZINC000450770654 467905718 /nfs/dbraw/zinc/90/57/18/467905718.db2.gz XKWBBXUDMNFSFR-SNVBAGLBSA-N 1 0 337.351 2.123 20 5 EEBDRO Cc1cc(N2CCN3C(=O)OCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000495122395 468082458 /nfs/dbraw/zinc/08/24/58/468082458.db2.gz KIBRLXABUVTEMH-CYBMUJFWSA-N 1 0 342.355 2.482 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccccc1F ZINC000567690803 468185151 /nfs/dbraw/zinc/18/51/51/468185151.db2.gz JNKKTTDGKIEYRD-AWEZNQCLSA-N 1 0 334.347 2.306 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000567710785 468191658 /nfs/dbraw/zinc/19/16/58/468191658.db2.gz SESSSRYIWPOIQF-JFIYKMOQSA-N 1 0 344.415 2.153 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000567899483 468234615 /nfs/dbraw/zinc/23/46/15/468234615.db2.gz SECKEDICIZMPRR-QGZVFWFLSA-N 1 0 341.367 2.107 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1SC ZINC000578758863 468253152 /nfs/dbraw/zinc/25/31/52/468253152.db2.gz CQUOBXVLCARVND-CYBMUJFWSA-N 1 0 341.433 2.429 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597710390 468646732 /nfs/dbraw/zinc/64/67/32/468646732.db2.gz LRSFRINOEGKTHX-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000594717942 468662217 /nfs/dbraw/zinc/66/22/17/468662217.db2.gz INLXBRDEMFHIDG-CYBMUJFWSA-N 1 0 345.186 2.249 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253620 468665367 /nfs/dbraw/zinc/66/53/67/468665367.db2.gz KIYUOCMLJOHRCV-HUUCEWRRSA-N 1 0 347.415 2.455 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253732 468665372 /nfs/dbraw/zinc/66/53/72/468665372.db2.gz MTZKVCBUWVKNMM-HOTGVXAUSA-N 1 0 331.416 2.376 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(CO)cc1)OCCO2 ZINC000592372083 468684317 /nfs/dbraw/zinc/68/43/17/468684317.db2.gz GRJIIEMRBIQFLU-UHFFFAOYSA-N 1 0 330.340 2.148 20 5 EEBDRO CSC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000570837571 468702310 /nfs/dbraw/zinc/70/23/10/468702310.db2.gz ZATKTYDWHBXVRB-CYBMUJFWSA-N 1 0 326.418 2.210 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558691697 468706898 /nfs/dbraw/zinc/70/68/98/468706898.db2.gz HKBTWDJXOZEWGV-CJNGLKHVSA-N 1 0 337.420 2.171 20 5 EEBDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000594967427 468733581 /nfs/dbraw/zinc/73/35/81/468733581.db2.gz ZCMAOUXIBRFMEK-CQSZACIVSA-N 1 0 341.367 2.499 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000595032604 468745785 /nfs/dbraw/zinc/74/57/85/468745785.db2.gz NTQWVEHKBLCERD-MLGOLLRUSA-N 1 0 338.404 2.432 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000571537717 468804370 /nfs/dbraw/zinc/80/43/70/468804370.db2.gz KBYGMEYYMXSLGW-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000601281367 468809564 /nfs/dbraw/zinc/80/95/64/468809564.db2.gz NPDJNCKILKTTHS-ZDUSSCGKSA-N 1 0 345.403 2.152 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000571626843 468813320 /nfs/dbraw/zinc/81/33/20/468813320.db2.gz MFHRZIVAGGUIDZ-OCVGTWLNSA-N 1 0 333.436 2.490 20 5 EEBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182733 468816738 /nfs/dbraw/zinc/81/67/38/468816738.db2.gz JMIPZOCSYLXFLR-DOTOQJQBSA-N 1 0 347.415 2.055 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595346237 468818952 /nfs/dbraw/zinc/81/89/52/468818952.db2.gz SZCZTTUGPKNMPV-CQSZACIVSA-N 1 0 341.433 2.008 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593076552 468861485 /nfs/dbraw/zinc/86/14/85/468861485.db2.gz LAOUXSDZPFWRQA-ZDUSSCGKSA-N 1 0 342.342 2.456 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505169 468880885 /nfs/dbraw/zinc/88/08/85/468880885.db2.gz QFTRQKTWPCVLJY-KDOFPFPSSA-N 1 0 346.431 2.340 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C1CC1 ZINC000593131828 468882239 /nfs/dbraw/zinc/88/22/39/468882239.db2.gz PIQZCULQTFUUBG-QWHCGFSZSA-N 1 0 345.355 2.367 20 5 EEBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000572112114 468886615 /nfs/dbraw/zinc/88/66/15/468886615.db2.gz DYFQBFZZJXNDLH-UHFFFAOYSA-N 1 0 338.383 2.077 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595548704 468898036 /nfs/dbraw/zinc/89/80/36/468898036.db2.gz FCOCHLJGUHGKTJ-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000593188751 468898618 /nfs/dbraw/zinc/89/86/18/468898618.db2.gz PDBKPBVOKNKYHE-MGPQQGTHSA-N 1 0 344.415 2.489 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000598571127 468918748 /nfs/dbraw/zinc/91/87/48/468918748.db2.gz GONGCOXRNPVGPX-CQSZACIVSA-N 1 0 335.404 2.129 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000572544351 468948206 /nfs/dbraw/zinc/94/82/06/468948206.db2.gz IMDSLQYDCKYTRM-HNNXBMFYSA-N 1 0 347.415 2.279 20 5 EEBDRO CC(C)C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000593463686 468991460 /nfs/dbraw/zinc/99/14/60/468991460.db2.gz CFIPUWMVOWKLRC-CQSZACIVSA-N 1 0 325.384 2.369 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593498443 469005571 /nfs/dbraw/zinc/00/55/71/469005571.db2.gz KGRHSLREWPMLMO-CQSZACIVSA-N 1 0 349.406 2.467 20 5 EEBDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602687970 469011564 /nfs/dbraw/zinc/01/15/64/469011564.db2.gz SODLOIZRDNOQJG-ZETCQYMHSA-N 1 0 348.222 2.035 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000610657667 469028319 /nfs/dbraw/zinc/02/83/19/469028319.db2.gz KUAMUDBTFKMIDS-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(CNC3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000602716792 469028796 /nfs/dbraw/zinc/02/87/96/469028796.db2.gz DLQLMODTLSAXGD-AWEZNQCLSA-N 1 0 346.387 2.079 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602787755 469074432 /nfs/dbraw/zinc/07/44/32/469074432.db2.gz KPJZEXIBMCZFEU-IJEWVQPXSA-N 1 0 335.452 2.437 20 5 EEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000602787645 469074844 /nfs/dbraw/zinc/07/48/44/469074844.db2.gz VUEHZBOPJMYHGV-UHFFFAOYSA-N 1 0 328.372 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000593665748 469085031 /nfs/dbraw/zinc/08/50/31/469085031.db2.gz JOXYYHAEBAYISS-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO C[NH+](C)C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000602802090 469085656 /nfs/dbraw/zinc/08/56/56/469085656.db2.gz ORTQFFSEKUDSFV-UHFFFAOYSA-N 1 0 344.318 2.412 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000595941432 469092558 /nfs/dbraw/zinc/09/25/58/469092558.db2.gz PRBRYQXWGGRJSE-UHFFFAOYSA-N 1 0 342.193 2.359 20 5 EEBDRO CCN1C[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000593720249 469107833 /nfs/dbraw/zinc/10/78/33/469107833.db2.gz ADUSWEBZKUFYEN-CJNGLKHVSA-N 1 0 331.416 2.374 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c(Br)cccc3[N+](=O)[O-])C[C@H]21 ZINC000599084928 469111132 /nfs/dbraw/zinc/11/11/32/469111132.db2.gz ZSTLJCSEJZEDQA-GDGBQDQQSA-N 1 0 326.194 2.354 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593757294 469125972 /nfs/dbraw/zinc/12/59/72/469125972.db2.gz BOOCQNKIJFHECF-ZBEGNZNMSA-N 1 0 334.376 2.196 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000602872839 469133067 /nfs/dbraw/zinc/13/30/67/469133067.db2.gz JUUQHPVWSFJKCC-CYBMUJFWSA-N 1 0 326.397 2.056 20 5 EEBDRO COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000596068277 469139351 /nfs/dbraw/zinc/13/93/51/469139351.db2.gz GQKUFMDUKHUTGP-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO CCC(CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000596070937 469140057 /nfs/dbraw/zinc/14/00/57/469140057.db2.gz VIBKRHJCSQLBJG-CQSZACIVSA-N 1 0 338.408 2.244 20 5 EEBDRO Cc1cc(N2C[C@](C)(CO)[C@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599164566 469145251 /nfs/dbraw/zinc/14/52/51/469145251.db2.gz GVXXQXJLYRKMJM-HDICACEKSA-N 1 0 345.399 2.269 20 5 EEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000573519047 469150952 /nfs/dbraw/zinc/15/09/52/469150952.db2.gz IKZGMUATOMSWRB-UONOGXRCSA-N 1 0 349.431 2.002 20 5 EEBDRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000573519045 469151042 /nfs/dbraw/zinc/15/10/42/469151042.db2.gz IKZGMUATOMSWRB-KBPBESRZSA-N 1 0 349.431 2.002 20 5 EEBDRO O=[N+]([O-])c1cc(N2CCC[N@@H+](CCO)CC2)ccc1C(F)(F)F ZINC000596113065 469160928 /nfs/dbraw/zinc/16/09/28/469160928.db2.gz KJPHKENMGKTKRL-UHFFFAOYSA-N 1 0 333.310 2.118 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+](C3CCCC3)CC1)OCCO2 ZINC000611253861 469209941 /nfs/dbraw/zinc/20/99/41/469209941.db2.gz JCQUSJQITBWPQT-UHFFFAOYSA-N 1 0 347.415 2.426 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596230520 469214223 /nfs/dbraw/zinc/21/42/23/469214223.db2.gz BKTRCWDCQFXEPG-UHFFFAOYSA-N 1 0 340.383 2.014 20 5 EEBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000611395423 469240894 /nfs/dbraw/zinc/24/08/94/469240894.db2.gz LKEHIYSSFFYUOP-INIZCTEOSA-N 1 0 335.404 2.210 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596441864 469267323 /nfs/dbraw/zinc/26/73/23/469267323.db2.gz RIZMNRJWJXJJDX-UHFFFAOYSA-N 1 0 330.392 2.047 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NCC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000596561963 469301994 /nfs/dbraw/zinc/30/19/94/469301994.db2.gz IYFYHBRUASPIPO-UHFFFAOYSA-N 1 0 341.415 3.072 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602493302 469339701 /nfs/dbraw/zinc/33/97/01/469339701.db2.gz SIUDMVQYPLPRGO-RKDXNWHRSA-N 1 0 342.193 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)cn1 ZINC000602514029 469345113 /nfs/dbraw/zinc/34/51/13/469345113.db2.gz KJOZIPGJORJQMV-IAGOWNOFSA-N 1 0 345.447 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(CC4CC4)C3)CC2)cn1 ZINC000602567092 469363559 /nfs/dbraw/zinc/36/35/59/469363559.db2.gz UQVGGDYNWJJMIB-INIZCTEOSA-N 1 0 345.447 2.033 20 5 EEBDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120834 469400173 /nfs/dbraw/zinc/40/01/73/469400173.db2.gz YKTXECCJVPZGLO-KGLIPLIRSA-N 1 0 331.372 2.389 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000604552313 469490868 /nfs/dbraw/zinc/49/08/68/469490868.db2.gz IKQONNPAORENOI-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](CCCO)C3)o2)cc1 ZINC000452131762 485470578 /nfs/dbraw/zinc/47/05/78/485470578.db2.gz PNIGVYZZMNOFHK-LBPRGKRZSA-N 1 0 332.360 2.239 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183328585 533956883 /nfs/dbraw/zinc/95/68/83/533956883.db2.gz RFAYONWVPHAZIQ-WDEREUQCSA-N 1 0 331.376 2.315 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000183646090 534423362 /nfs/dbraw/zinc/42/33/62/534423362.db2.gz ZCOYXUZFAMNLGM-UHFFFAOYSA-N 1 0 333.392 2.472 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183558819 534425080 /nfs/dbraw/zinc/42/50/80/534425080.db2.gz APAPUEVNKMOLKW-IUODEOHRSA-N 1 0 345.403 2.470 20 5 EEBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181826581 527797947 /nfs/dbraw/zinc/79/79/47/527797947.db2.gz BLMLWFSONABYHA-OAHLLOKOSA-N 1 0 346.387 2.464 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192651523 527835132 /nfs/dbraw/zinc/83/51/32/527835132.db2.gz BEWCYEKWUQPQDF-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451773935 535547870 /nfs/dbraw/zinc/54/78/70/535547870.db2.gz NTCDOTPWHUOBFU-DFBGVHRSSA-N 1 0 349.387 2.243 20 5 EEBDRO CC(=O)NC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764923436 577490962 /nfs/dbraw/zinc/49/09/62/577490962.db2.gz ATXFYSYKTZRUBX-CQSZACIVSA-N 1 0 345.403 2.059 20 5 EEBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000765435643 577501080 /nfs/dbraw/zinc/50/10/80/577501080.db2.gz AJPVXNLUHDNLGS-OLZOCXBDSA-N 1 0 343.387 2.323 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682050 577601672 /nfs/dbraw/zinc/60/16/72/577601672.db2.gz YPQLEOFMCDOHLT-IMXKFXGHSA-N 1 0 334.372 2.310 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000742237649 577869496 /nfs/dbraw/zinc/86/94/96/577869496.db2.gz NLIOBQNZLYCNDS-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000743639565 577888255 /nfs/dbraw/zinc/88/82/55/577888255.db2.gz WGVBSLCZIZECLI-BXKDBHETSA-N 1 0 336.348 2.024 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000747226387 577941078 /nfs/dbraw/zinc/94/10/78/577941078.db2.gz HFFFXKLYDBNUEI-LBPRGKRZSA-N 1 0 349.391 2.068 20 5 EEBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000824261787 607449364 /nfs/dbraw/zinc/44/93/64/607449364.db2.gz QHJUBSKESXCIJG-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826499462 607978025 /nfs/dbraw/zinc/97/80/25/607978025.db2.gz JJZWZQHASYGUSX-UHFFFAOYSA-N 1 0 342.334 2.246 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001020494309 674936416 /nfs/dbraw/zinc/93/64/16/674936416.db2.gz FRQASHRUQQPFLG-SIMOQEFBSA-N 1 0 335.429 2.439 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022013845 676583974 /nfs/dbraw/zinc/58/39/74/676583974.db2.gz SGBSUUPGCBSGKT-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892537263 681622524 /nfs/dbraw/zinc/62/25/24/681622524.db2.gz RFYFVEDOASXPEC-UHFFFAOYSA-N 1 0 332.404 2.188 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000983016205 681663102 /nfs/dbraw/zinc/66/31/02/681663102.db2.gz RWSYWNIDIQSNQB-YEORSEQZSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025762197 683263448 /nfs/dbraw/zinc/26/34/48/683263448.db2.gz RDKILOIRTRQDAX-QLPKVWCKSA-N 1 0 340.383 2.092 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000895270179 684420811 /nfs/dbraw/zinc/42/08/11/684420811.db2.gz HTHAEOBUYXFJCJ-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO Cc1ccc(F)c(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000985426276 686672771 /nfs/dbraw/zinc/67/27/71/686672771.db2.gz PGNVBKOLTDMTNB-NVXWUHKLSA-N 1 0 349.406 2.222 20 5 EEBDRO C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000898166565 691889053 /nfs/dbraw/zinc/88/90/53/691889053.db2.gz APRLWZBVHDKYMS-FRRDWIJNSA-N 1 0 335.379 2.248 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000990086087 692635800 /nfs/dbraw/zinc/63/58/00/692635800.db2.gz YHKSLXNQNGVKQO-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898842744 693489610 /nfs/dbraw/zinc/48/96/10/693489610.db2.gz XULJSCXEJXVNCK-CABCVRRESA-N 1 0 333.388 2.206 20 5 EEBDRO CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423419 1186781365 /nfs/dbraw/zinc/78/13/65/1186781365.db2.gz SSKCEOHKELVRJX-MTNOOBJLSA-N 1 0 345.443 2.258 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001168129056 1186925431 /nfs/dbraw/zinc/92/54/31/1186925431.db2.gz ORJUGIRUGRZBLM-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001105484517 1188101501 /nfs/dbraw/zinc/10/15/01/1188101501.db2.gz POYXATYSFKRYMS-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105489831 1188107914 /nfs/dbraw/zinc/10/79/14/1188107914.db2.gz MSDILOGIDUVGLM-UHFFFAOYSA-N 1 0 336.436 2.220 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CCC2)c1 ZINC000905564103 1189778570 /nfs/dbraw/zinc/77/85/70/1189778570.db2.gz KDQDMYKGMOMXOP-INIZCTEOSA-N 1 0 348.378 2.003 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001034597565 1196425900 /nfs/dbraw/zinc/42/59/00/1196425900.db2.gz AHSHADCITSECKC-HAQNSBGRSA-N 1 0 349.416 2.210 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CCCO1 ZINC000865730172 1198350905 /nfs/dbraw/zinc/35/09/05/1198350905.db2.gz VBHMOLOLTPYPKJ-GFCCVEGCSA-N 1 0 341.383 2.139 20 5 EEBDRO Cc1c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000873132274 1198508608 /nfs/dbraw/zinc/50/86/08/1198508608.db2.gz NDDLPAHUXDYFHB-UHFFFAOYSA-N 1 0 326.418 2.208 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327282 1199903479 /nfs/dbraw/zinc/90/34/79/1199903479.db2.gz POHPNCKCFNGOHP-AWEZNQCLSA-N 1 0 347.415 2.100 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=S)NC1CC[NH+](C)CC1 ZINC000795097555 1200377393 /nfs/dbraw/zinc/37/73/93/1200377393.db2.gz VNLTXXDQDAPFBG-UHFFFAOYSA-N 1 0 336.461 2.038 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812335978 1200669322 /nfs/dbraw/zinc/66/93/22/1200669322.db2.gz VXXSTWAEUGSKNW-OLZOCXBDSA-N 1 0 335.429 2.097 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000812883343 1200968183 /nfs/dbraw/zinc/96/81/83/1200968183.db2.gz STUDCISPZPQKCI-MOPGFXCFSA-N 1 0 342.395 2.264 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC[C@H]1CCCO1 ZINC000866267717 1201480310 /nfs/dbraw/zinc/48/03/10/1201480310.db2.gz QDGUXMFUEYAZRU-IUODEOHRSA-N 1 0 326.368 2.450 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000866302294 1201488421 /nfs/dbraw/zinc/48/84/21/1201488421.db2.gz GGTFXZHOMUTIIR-LLVKDONJSA-N 1 0 344.408 2.079 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCS(=O)(=O)CC1 ZINC000866309398 1201489744 /nfs/dbraw/zinc/48/97/44/1201489744.db2.gz FORFMYOGNGRPHQ-NSHDSACASA-N 1 0 344.408 2.079 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CCCO ZINC000866364142 1201500700 /nfs/dbraw/zinc/50/07/00/1201500700.db2.gz AWXFBVRNXBISKM-BBRMVZONSA-N 1 0 339.411 2.101 20 5 EEBDRO CC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000882851268 1201957134 /nfs/dbraw/zinc/95/71/34/1201957134.db2.gz FJELKKBSTXFZBM-OKILXGFUSA-N 1 0 340.383 2.366 20 5 EEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883090558 1202010311 /nfs/dbraw/zinc/01/03/11/1202010311.db2.gz OVPMNHLHWZOHGK-NHZBNJEXSA-N 1 0 330.388 2.412 20 5 EEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883090557 1202010334 /nfs/dbraw/zinc/01/03/34/1202010334.db2.gz OVPMNHLHWZOHGK-JZIMQPMSSA-N 1 0 330.388 2.412 20 5 EEBDRO COc1cccc([C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000886308361 1202490697 /nfs/dbraw/zinc/49/06/97/1202490697.db2.gz ACUFHSSMDIZUBM-MRXNPFEDSA-N 1 0 328.372 2.145 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095363808 1204193120 /nfs/dbraw/zinc/19/31/20/1204193120.db2.gz RWMUBQMQMGHBIF-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095625405 1205895644 /nfs/dbraw/zinc/89/56/44/1205895644.db2.gz OYNVDUSZCQFYEB-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110895360 1206000955 /nfs/dbraw/zinc/00/09/55/1206000955.db2.gz FCQRFFSAGJIQTB-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000925196370 1206082325 /nfs/dbraw/zinc/08/23/25/1206082325.db2.gz FKKFDZBWNUPNOS-DOMZBBRYSA-N 1 0 346.387 2.062 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000929313330 1206464271 /nfs/dbraw/zinc/46/42/71/1206464271.db2.gz VLGLOEHEYZCARZ-QWRGUYRKSA-N 1 0 326.194 2.009 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000931041302 1206602089 /nfs/dbraw/zinc/60/20/89/1206602089.db2.gz CEUSYCOHKDNXRD-BBRMVZONSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933433525 1207770629 /nfs/dbraw/zinc/77/06/29/1207770629.db2.gz FCHKAEKWZNTPOE-YYQUZTFQSA-N 1 0 331.416 2.497 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778939432 1208410572 /nfs/dbraw/zinc/41/05/72/1208410572.db2.gz MSTAKIKXENUCSN-SNVBAGLBSA-N 1 0 343.330 2.410 20 5 EEBDRO Cc1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020044115 1229455967 /nfs/dbraw/zinc/45/59/67/1229455967.db2.gz WGRCKYSCRDVFQK-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO C[NH+](C)CCC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096070978 1234418634 /nfs/dbraw/zinc/41/86/34/1234418634.db2.gz XCSYJZSHKKMXJB-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO CC(C)CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096246291 1236615423 /nfs/dbraw/zinc/61/54/23/1236615423.db2.gz OBIXNDOIBSASQN-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO O=C(c1ccoc1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048676717 1238267342 /nfs/dbraw/zinc/26/73/42/1238267342.db2.gz IUWZAOYEMPQNDY-IYBDPMFKSA-N 1 0 341.367 2.392 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097205640 1243822628 /nfs/dbraw/zinc/82/26/28/1243822628.db2.gz JTLFLUNTFYHXCR-GASCZTMLSA-N 1 0 334.420 2.386 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101352571 1245701108 /nfs/dbraw/zinc/70/11/08/1245701108.db2.gz HLPMGSKKLRBOSP-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO Cc1cc(N(CCNC(=O)CCC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001101442094 1245831687 /nfs/dbraw/zinc/83/16/87/1245831687.db2.gz UWQGTRKLUBBUOC-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCCC[NH+](C)C ZINC001101709147 1246156760 /nfs/dbraw/zinc/15/67/60/1246156760.db2.gz RYBIXISEWKVZMR-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CO[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H]1C ZINC000853516687 1292405906 /nfs/dbraw/zinc/40/59/06/1292405906.db2.gz NTUWVXHIFAAPLD-IUODEOHRSA-N 1 0 331.376 2.168 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000854292014 1292705539 /nfs/dbraw/zinc/70/55/39/1292705539.db2.gz VRVRRFWBDRRLGZ-UHFFFAOYSA-N 1 0 330.319 2.091 20 5 EEBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCCC[N+](=O)[O-])cc2)CC1 ZINC000860917005 1295171960 /nfs/dbraw/zinc/17/19/60/1295171960.db2.gz DKKMQCFMTWMVKF-UHFFFAOYSA-N 1 0 335.404 2.041 20 5 EEBDRO CO[C@@]1(C)CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794654895 1296510937 /nfs/dbraw/zinc/51/09/37/1296510937.db2.gz JLZCJQHXPJXOAT-INIZCTEOSA-N 1 0 331.376 2.312 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc3c(c2)C[NH2+]CC3)n1 ZINC001217382553 1297427382 /nfs/dbraw/zinc/42/73/82/1297427382.db2.gz NRBLSBLTHGXPNT-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO C[NH+](C)CC[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccccc1 ZINC001224134278 1300438004 /nfs/dbraw/zinc/43/80/04/1300438004.db2.gz PPMLQLZXFWRATO-GJZGRUSLSA-N 1 0 346.387 2.262 20 5 EEBDRO C[N+](C)(C)CCOC1CN(Cc2ccc(Br)cc2)C1 ZINC001224776337 1300733367 /nfs/dbraw/zinc/73/33/67/1300733367.db2.gz VNSPVLLAQUDEHE-UHFFFAOYSA-N 1 0 328.274 2.356 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 ZINC001225099651 1300889875 /nfs/dbraw/zinc/88/98/75/1300889875.db2.gz MRYYPWQABDECTM-YHUYYLMFSA-N 1 0 343.488 2.122 20 5 EEBDRO CCOCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226493832 1301435362 /nfs/dbraw/zinc/43/53/62/1301435362.db2.gz JKLSERFTBFYWCV-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO O=[N+]([O-])c1cnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC001226734286 1301532373 /nfs/dbraw/zinc/53/23/73/1301532373.db2.gz XJWDVMITFUKIFC-INIZCTEOSA-N 1 0 344.371 2.055 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(c(Br)c1)CNC2=O ZINC001227704347 1301935253 /nfs/dbraw/zinc/93/52/53/1301935253.db2.gz APWZMXWZEJLHMX-SECBINFHSA-O 1 0 328.230 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC001227746222 1301951704 /nfs/dbraw/zinc/95/17/04/1301951704.db2.gz QTMAMOTZDKRHDL-MQMHXKEQSA-N 1 0 346.387 2.493 20 5 EEBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C[N@@H+]1C ZINC000782523561 1304078358 /nfs/dbraw/zinc/07/83/58/1304078358.db2.gz ADRHONPSMWBTIB-NEPJUHHUSA-N 1 0 338.383 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000783559108 1304299339 /nfs/dbraw/zinc/29/93/39/1304299339.db2.gz JITJDWNIYUAYHH-CVEARBPZSA-N 1 0 339.823 2.279 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001235626198 1305302939 /nfs/dbraw/zinc/30/29/39/1305302939.db2.gz NJJSUOMJVSDBJS-UHFFFAOYSA-N 1 0 334.401 2.303 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001115897254 1305844041 /nfs/dbraw/zinc/84/40/41/1305844041.db2.gz YWQIYQZOMAWQGM-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H](Cc2nccn2C)C1 ZINC001120025921 1309287573 /nfs/dbraw/zinc/28/75/73/1309287573.db2.gz WFRZEHAOJVKFQG-GFCCVEGCSA-N 1 0 331.376 2.191 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001120808472 1309764274 /nfs/dbraw/zinc/76/42/74/1309764274.db2.gz GOUJMYHULURIPQ-CQSZACIVSA-N 1 0 330.388 2.219 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001246546585 1310337621 /nfs/dbraw/zinc/33/76/21/1310337621.db2.gz KXXPOBVBXLKUFX-QJPTWQEYSA-N 1 0 325.384 2.200 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+]C(C)(C)C2)c1F ZINC001246816975 1310438368 /nfs/dbraw/zinc/43/83/68/1310438368.db2.gz NRNKRGQIPCAAQS-LLVKDONJSA-N 1 0 325.384 2.357 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000829572252 1314503146 /nfs/dbraw/zinc/50/31/46/1314503146.db2.gz IJHOFXJUUREAPT-CYBMUJFWSA-N 1 0 332.404 2.398 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1F ZINC000830015641 1314523577 /nfs/dbraw/zinc/52/35/77/1314523577.db2.gz ABPIBHUXTZGJIY-ONGXEEELSA-N 1 0 339.342 2.394 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831722009 1314609049 /nfs/dbraw/zinc/60/90/49/1314609049.db2.gz QDDVZWMFAROQDI-UONOGXRCSA-N 1 0 332.404 2.029 20 5 EEBDRO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839687936 1315233592 /nfs/dbraw/zinc/23/35/92/1315233592.db2.gz NDCKLNVDPORDIF-QMCVQRASSA-N 1 0 331.416 2.163 20 5 EEBDRO Cc1nn(CN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000840179860 1315318411 /nfs/dbraw/zinc/31/84/11/1315318411.db2.gz SWOZQXJJEFOENN-AWEZNQCLSA-N 1 0 329.404 2.264 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476177 1315713025 /nfs/dbraw/zinc/71/30/25/1315713025.db2.gz IMZPKPOOKITHAW-ZDUSSCGKSA-N 1 0 340.811 2.164 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842895290 1315794349 /nfs/dbraw/zinc/79/43/49/1315794349.db2.gz MMWCCWKJDGVRIG-NSHDSACASA-N 1 0 347.824 2.059 20 5 EEBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843086853 1315837974 /nfs/dbraw/zinc/83/79/74/1315837974.db2.gz IAZAMQYKTQCLOU-AGIUHOORSA-N 1 0 336.310 2.166 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843321989 1315891232 /nfs/dbraw/zinc/89/12/32/1315891232.db2.gz BANVAHUMLVFVIF-SECBINFHSA-N 1 0 329.759 2.127 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843348890 1315895893 /nfs/dbraw/zinc/89/58/93/1315895893.db2.gz WONVBSWNNMXFNI-SNVBAGLBSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843353553 1315897999 /nfs/dbraw/zinc/89/79/99/1315897999.db2.gz LDPVTESQKQKBBN-QWRGUYRKSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[C@](C)(CN)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843356423 1315899528 /nfs/dbraw/zinc/89/95/28/1315899528.db2.gz OEZHHXNOSAVUKL-HNNXBMFYSA-N 1 0 326.372 2.026 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843365812 1315901587 /nfs/dbraw/zinc/90/15/87/1315901587.db2.gz VSTMEZWJAZCXRX-CYBMUJFWSA-N 1 0 338.383 2.136 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000843502510 1315924868 /nfs/dbraw/zinc/92/48/68/1315924868.db2.gz DMCCMFRASVMXQP-STQMWFEESA-N 1 0 334.420 2.441 20 5 EEBDRO CC(C)[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]C1 ZINC001249334176 1317055660 /nfs/dbraw/zinc/05/56/60/1317055660.db2.gz ZDIBCRDUYHCMFZ-HNNXBMFYSA-N 1 0 335.339 2.456 20 5 EEBDRO COc1nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155453121 1317602059 /nfs/dbraw/zinc/60/20/59/1317602059.db2.gz LMWWFGSNBAKMRO-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(NCC[C@H]2CCOC23C[NH2+]C3)nc1Cl ZINC001155475958 1317613646 /nfs/dbraw/zinc/61/36/46/1317613646.db2.gz CPLYWYIAKOLUIY-JTQLQIEISA-N 1 0 326.784 2.132 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[C@H]2CCOC23C[NH2+]C3)c1 ZINC001155480310 1317615965 /nfs/dbraw/zinc/61/59/65/1317615965.db2.gz VOOSUJFUKBCNFR-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)Cc2ccccc21 ZINC001155489842 1317619394 /nfs/dbraw/zinc/61/93/94/1317619394.db2.gz SIQMAUZINXTDPT-UHFFFAOYSA-N 1 0 339.399 2.369 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001155523378 1317636828 /nfs/dbraw/zinc/63/68/28/1317636828.db2.gz PWTZERFUXUYXQZ-HSMVNMDESA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)cnc2c1 ZINC001155591322 1317663680 /nfs/dbraw/zinc/66/36/80/1317663680.db2.gz HLDFJZLDHAXHDQ-SJKOYZFVSA-N 1 0 343.387 2.109 20 5 EEBDRO COC(=O)c1ccnc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001156048883 1317851423 /nfs/dbraw/zinc/85/14/23/1317851423.db2.gz ZJCUHRSMHUEDNH-UHFFFAOYSA-N 1 0 344.371 2.450 20 5 EEBDRO CC(C)c1ccc(C[NH+]2CCC(OCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC001254018733 1317983602 /nfs/dbraw/zinc/98/36/02/1317983602.db2.gz OTCAXTBCBOBDOX-UHFFFAOYSA-N 1 0 335.404 2.185 20 5 EEBDRO O=C(CCc1ccoc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156395208 1317994430 /nfs/dbraw/zinc/99/44/30/1317994430.db2.gz YZHUAPCQNMUHDL-UHFFFAOYSA-N 1 0 331.372 2.417 20 5 EEBDRO COc1cnc(-n2cncc2C[NH2+]Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001156482077 1318032976 /nfs/dbraw/zinc/03/29/76/1318032976.db2.gz GUGAKENPNYPONE-UHFFFAOYSA-N 1 0 339.355 2.474 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC001254467958 1318081755 /nfs/dbraw/zinc/08/17/55/1318081755.db2.gz GOMNDSQLWQFDJU-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001254531697 1318108595 /nfs/dbraw/zinc/10/85/95/1318108595.db2.gz HDEICUOFJSQSLL-BBRMVZONSA-N 1 0 327.384 2.212 20 5 EEBDRO O=c1ccc2c([nH]1)CC[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254572184 1318126724 /nfs/dbraw/zinc/12/67/24/1318126724.db2.gz JHVXAQXPHDLYLC-GJZGRUSLSA-N 1 0 325.368 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)C2 ZINC001254593945 1318135808 /nfs/dbraw/zinc/13/58/08/1318135808.db2.gz OGWLHSRSANPZKV-UONOGXRCSA-N 1 0 330.306 2.309 20 5 EEBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597470 1318138410 /nfs/dbraw/zinc/13/84/10/1318138410.db2.gz DYENLKUMCDRLJU-SJORKVTESA-N 1 0 331.416 2.443 20 5 EEBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599428 1318140308 /nfs/dbraw/zinc/14/03/08/1318140308.db2.gz ZFGQFPYVNVVVOH-WMZOPIPTSA-N 1 0 329.400 2.149 20 5 EEBDRO CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605905 1318141778 /nfs/dbraw/zinc/14/17/78/1318141778.db2.gz CLWBTSIPAMCQNY-ROUUACIJSA-N 1 0 331.416 2.393 20 5 EEBDRO O=C(/C=C\c1ccc[nH]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157073818 1318384325 /nfs/dbraw/zinc/38/43/25/1318384325.db2.gz FGGNWOTXAZLTGN-FPLPWBNLSA-N 1 0 328.372 2.232 20 5 EEBDRO COc1cc(N2CCC(n3ccnc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256082187 1318640731 /nfs/dbraw/zinc/64/07/31/1318640731.db2.gz AVMMAHVAOJUHKG-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO NC(=[NH2+])c1nccn1-c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001157628932 1318757532 /nfs/dbraw/zinc/75/75/32/1318757532.db2.gz ICOBPROWGLHTOV-UHFFFAOYSA-N 1 0 343.734 2.175 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC001157657489 1318779488 /nfs/dbraw/zinc/77/94/88/1318779488.db2.gz DBUOSVSMIMDFOK-UHFFFAOYSA-N 1 0 335.408 2.157 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C1 ZINC001157689651 1318797999 /nfs/dbraw/zinc/79/79/99/1318797999.db2.gz IGVGPPWIIQQUJD-BETUJISGSA-N 1 0 327.388 2.316 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC001157692658 1318801635 /nfs/dbraw/zinc/80/16/35/1318801635.db2.gz YIIJWUWMSQORTD-BETUJISGSA-N 1 0 327.388 2.316 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001157895881 1318921555 /nfs/dbraw/zinc/92/15/55/1318921555.db2.gz XZVWVLPPJXJNAJ-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO Nc1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001158166567 1319054094 /nfs/dbraw/zinc/05/40/94/1319054094.db2.gz KROIURIWQYGOPV-HDJSIYSDSA-N 1 0 342.403 2.244 20 5 EEBDRO C[C@H]([NH3+])c1ccn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158354516 1319194543 /nfs/dbraw/zinc/19/45/43/1319194543.db2.gz ANAYJDXNIJLDJA-BYPYZUCNSA-N 1 0 336.661 2.262 20 5 EEBDRO C[C@H]([NH3+])c1ccn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)n1 ZINC001158357360 1319197322 /nfs/dbraw/zinc/19/73/22/1319197322.db2.gz ZOCBLGZQHDMXKQ-VIFPVBQESA-N 1 0 328.307 2.396 20 5 EEBDRO Cc1cc(N2CC[NH2+]C3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158938305 1319518845 /nfs/dbraw/zinc/51/88/45/1319518845.db2.gz YBIKLSGTZLNUMX-UHFFFAOYSA-N 1 0 325.372 2.302 20 5 EEBDRO COCCC(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159069395 1319592152 /nfs/dbraw/zinc/59/21/52/1319592152.db2.gz SOBISBQZJWYMDM-UHFFFAOYSA-N 1 0 347.415 2.270 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159501436 1319844039 /nfs/dbraw/zinc/84/40/39/1319844039.db2.gz IXYWNBGQCGXTOV-DOMZBBRYSA-N 1 0 328.372 2.446 20 5 EEBDRO COCCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159564988 1319894197 /nfs/dbraw/zinc/89/41/97/1319894197.db2.gz ZRTQQBMWXULQMW-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001159950280 1320031277 /nfs/dbraw/zinc/03/12/77/1320031277.db2.gz WVIJTDMSPFSJOZ-LBPRGKRZSA-N 1 0 338.367 2.297 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160201501 1320097640 /nfs/dbraw/zinc/09/76/40/1320097640.db2.gz XCCPLAWMBBPUKH-SNVBAGLBSA-N 1 0 325.328 2.329 20 5 EEBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160763765 1320261228 /nfs/dbraw/zinc/26/12/28/1320261228.db2.gz QBTPJCYTBZGDFL-UHFFFAOYSA-N 1 0 348.746 2.293 20 5 EEBDRO CCOCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001161215733 1320423196 /nfs/dbraw/zinc/42/31/96/1320423196.db2.gz YYBFKXBUHIMRRY-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162808246 1320964551 /nfs/dbraw/zinc/96/45/51/1320964551.db2.gz GVQCLHPGPJFEEO-ZFWWWQNUSA-N 1 0 345.378 2.142 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCc3c2c(F)ccc3F)nc1C1C[NH2+]C1 ZINC001162939580 1320992064 /nfs/dbraw/zinc/99/20/64/1320992064.db2.gz YOISZOWWGKLYEK-LBPRGKRZSA-N 1 0 347.325 2.449 20 5 EEBDRO CCCC(C[NH3+])(CCC)Nc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001163039034 1321020842 /nfs/dbraw/zinc/02/08/42/1321020842.db2.gz ZZWVPMOBAGMIRF-UHFFFAOYSA-N 1 0 327.385 2.112 20 5 EEBDRO COCCC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163046380 1321021965 /nfs/dbraw/zinc/02/19/65/1321021965.db2.gz DKSFLRPNEOTHGZ-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)cc1 ZINC001163049823 1321023449 /nfs/dbraw/zinc/02/34/49/1321023449.db2.gz GCTDKAZOYRYFNL-GFCCVEGCSA-N 1 0 339.355 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163094539 1321033830 /nfs/dbraw/zinc/03/38/30/1321033830.db2.gz OFIYETFVPRMSNB-CKEIUWERSA-N 1 0 340.383 2.303 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163367004 1321106388 /nfs/dbraw/zinc/10/63/88/1321106388.db2.gz XNDSRKQNEWPLDY-QWRGUYRKSA-N 1 0 328.800 2.412 20 5 EEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163896108 1321241478 /nfs/dbraw/zinc/24/14/78/1321241478.db2.gz AAPMVDWXEZJZLR-UHFFFAOYSA-N 1 0 345.746 2.145 20 5 EEBDRO Cn1c(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc2ccccc21 ZINC001163934116 1321250979 /nfs/dbraw/zinc/25/09/79/1321250979.db2.gz SSTJEKPYQHZNME-UHFFFAOYSA-N 1 0 338.371 2.175 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164072604 1321285641 /nfs/dbraw/zinc/28/56/41/1321285641.db2.gz AJVZWZHFDOFVOI-YUMQZZPRSA-N 1 0 331.829 2.324 20 5 EEBDRO Cc1cc(F)ccc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494810 1321396010 /nfs/dbraw/zinc/39/60/10/1321396010.db2.gz TYUCYRNKSRXOBU-HZPDHXFCSA-N 1 0 349.406 2.175 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001164494284 1321396096 /nfs/dbraw/zinc/39/60/96/1321396096.db2.gz DAAZQXQTHPYVOH-IAGOWNOFSA-N 1 0 345.443 2.345 20 5 EEBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165107628 1321455510 /nfs/dbraw/zinc/45/55/10/1321455510.db2.gz KAHSBYHJCUQLPY-AWEZNQCLSA-N 1 0 338.383 2.209 20 5 EEBDRO C[NH+]1C[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC001165147098 1321465196 /nfs/dbraw/zinc/46/51/96/1321465196.db2.gz HUKMIHZSHWZSQL-UWVGGRQHSA-N 1 0 333.779 2.189 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]2CF)CC1 ZINC001165432926 1321525395 /nfs/dbraw/zinc/52/53/95/1321525395.db2.gz VFTKQCZFTHQCOS-JQWIXIFHSA-N 1 0 331.351 2.051 20 5 EEBDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)c1ncc(F)cc1[N+](=O)[O-] ZINC001165513322 1321538287 /nfs/dbraw/zinc/53/82/87/1321538287.db2.gz WUYQFKHARJFWLP-UHFFFAOYSA-N 1 0 346.366 2.154 20 5 EEBDRO C[NH+]1CCN(c2ncccc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209931703 1325100954 /nfs/dbraw/zinc/10/09/54/1325100954.db2.gz CGAKFWFRXUAGHR-UHFFFAOYSA-N 1 0 328.376 2.067 20 5 EEBDRO CC1(C)CC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001609144059 1351859952 /nfs/dbraw/zinc/85/99/52/1351859952.db2.gz GYEXAJNFLNRYKI-UHFFFAOYSA-N 1 0 345.407 2.496 20 5 EEBDRO CCC(CC)[N@H+](CCOC)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609188962 1351882869 /nfs/dbraw/zinc/88/28/69/1351882869.db2.gz FPJOEDMKPAIOIU-UHFFFAOYSA-N 1 0 348.407 2.412 20 5 EEBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001326518462 1334108698 /nfs/dbraw/zinc/10/86/98/1334108698.db2.gz UWFKLBCBLJVFEB-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001333317275 1336006512 /nfs/dbraw/zinc/00/65/12/1336006512.db2.gz FBFVDRAPUMPDHK-PELKAZGASA-N 1 0 327.743 2.163 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335567158 1336395635 /nfs/dbraw/zinc/39/56/35/1336395635.db2.gz DZBJHGIIHMKKMR-CYBMUJFWSA-N 1 0 334.420 2.471 20 5 EEBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001338417809 1336858206 /nfs/dbraw/zinc/85/82/06/1336858206.db2.gz HWYVDXCFQLQCJA-QGZVFWFLSA-N 1 0 345.399 2.345 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001338722803 1336899384 /nfs/dbraw/zinc/89/93/84/1336899384.db2.gz WTLYBHXHEBHYQQ-LRDDRELGSA-N 1 0 329.356 2.245 20 5 EEBDRO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001575107502 1343737592 /nfs/dbraw/zinc/73/75/92/1343737592.db2.gz COPZAYSAGUEWFT-MRXNPFEDSA-N 1 0 348.447 2.003 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001575690714 1343856111 /nfs/dbraw/zinc/85/61/11/1343856111.db2.gz ZUPKRCOPVYJHEB-QGZVFWFLSA-N 1 0 342.399 2.297 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001576118284 1343968289 /nfs/dbraw/zinc/96/82/89/1343968289.db2.gz YEHRSVJEFUTQEA-AAEUAGOBSA-N 1 0 349.387 2.098 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001576489095 1344022496 /nfs/dbraw/zinc/02/24/96/1344022496.db2.gz KQFYXFMZNMCIAH-LLVKDONJSA-N 1 0 349.359 2.144 20 5 EEBDRO [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001580269493 1344504361 /nfs/dbraw/zinc/50/43/61/1344504361.db2.gz OGVGFDAJSULQBE-WMZOPIPTSA-N 1 0 327.384 2.408 20 5 EEBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC2(C1)CC[NH2+]CC2 ZINC001580810904 1344561649 /nfs/dbraw/zinc/56/16/49/1344561649.db2.gz GEMNUXJSWBKRGZ-UHFFFAOYSA-N 1 0 343.305 2.439 20 5 EEBDRO CC(C)[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCCO1 ZINC001589518974 1349000194 /nfs/dbraw/zinc/00/01/94/1349000194.db2.gz WDARPRMWTILYIW-OAHLLOKOSA-N 1 0 346.391 2.022 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590260626 1349234454 /nfs/dbraw/zinc/23/44/54/1349234454.db2.gz QLMNXKIJBCOLEY-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1-c1nn[nH]n1 ZINC001593465214 1349802680 /nfs/dbraw/zinc/80/26/80/1349802680.db2.gz JVAKLANXBLJERE-OCCSQVGLSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cc(NCCCCC[NH+]2CCCC2)ccc1-c1nn[nH]n1 ZINC001607079296 1351408178 /nfs/dbraw/zinc/40/81/78/1351408178.db2.gz FRSYTVCZNHWQGV-UHFFFAOYSA-N 1 0 345.407 2.453 20 5 EEBDRO O=[N+]([O-])c1cc(NCCC[NH+]2CCCCC2)ccc1-c1nn[nH]n1 ZINC001607078855 1351408582 /nfs/dbraw/zinc/40/85/82/1351408582.db2.gz ANRWMXVULSGADE-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000852287829 1369258499 /nfs/dbraw/zinc/25/84/99/1369258499.db2.gz HFRVIVXAJPILIB-ROUUACIJSA-N 1 0 330.384 2.164 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000798542496 1371589000 /nfs/dbraw/zinc/58/90/00/1371589000.db2.gz XDUBROQFQHJYPB-GFCCVEGCSA-N 1 0 339.417 2.369 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001121988753 1371938151 /nfs/dbraw/zinc/93/81/51/1371938151.db2.gz NNJGQERDCMGNIH-SFHVURJKSA-N 1 0 348.447 2.255 20 5 EEBDRO COc1cc(C(=O)OCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000838053057 1372818217 /nfs/dbraw/zinc/81/82/17/1372818217.db2.gz GHOKXALOYDLINF-UHFFFAOYSA-N 1 0 326.324 2.385 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000848622071 1373162383 /nfs/dbraw/zinc/16/23/83/1373162383.db2.gz QZDNLKOQFKCFPX-PXAZEXFGSA-N 1 0 343.387 2.490 20 5 EEBDRO COc1ccccc1CNC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000849054271 1373202523 /nfs/dbraw/zinc/20/25/23/1373202523.db2.gz ABTIVGOFLUYBKY-UHFFFAOYSA-N 1 0 343.387 2.329 20 5 EEBDRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001577236966 1403628357 /nfs/dbraw/zinc/62/83/57/1403628357.db2.gz OBYRQEUKWSFRON-WFASDCNBSA-N 1 0 344.419 2.437 20 5 EEBDRO O=C(NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001755878580 1407931734 /nfs/dbraw/zinc/93/17/34/1407931734.db2.gz NQUCZOLRIKSWBF-UHFFFAOYSA-N 1 0 325.315 2.108 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001100144414 1410523415 /nfs/dbraw/zinc/52/34/15/1410523415.db2.gz FADRUYPJHLEHLK-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC001165036305 721906699 /nfs/dbraw/zinc/90/66/99/721906699.db2.gz AQSVYDOOLBBGLG-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO CC(C)Oc1nc(-n2ccnc2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167060617 757067728 /nfs/dbraw/zinc/06/77/28/757067728.db2.gz VKQOUCDLKYEVTO-LBPRGKRZSA-N 1 0 331.376 2.430 20 5 EEBDRO NC(C[NH+]1CCCCCC1)=NOCCOc1ccccc1[N+](=O)[O-] ZINC000782325826 760269998 /nfs/dbraw/zinc/26/99/98/760269998.db2.gz NAXCAFNVOBMHSQ-UHFFFAOYSA-N 1 0 336.392 2.348 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000843780577 781798850 /nfs/dbraw/zinc/79/88/50/781798850.db2.gz GVQHBOJJQVWXDD-UHFFFAOYSA-N 1 0 335.339 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CC[C@H]2C3)nc1OCc1ccccc1 ZINC000599082773 791082822 /nfs/dbraw/zinc/08/28/22/791082822.db2.gz HLZWIOJBEAMPJN-HNNXBMFYSA-N 1 0 340.383 2.463 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000818005574 785161187 /nfs/dbraw/zinc/16/11/87/785161187.db2.gz SCGCRCSWLQSTHY-ZDUSSCGKSA-N 1 0 329.759 2.126 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c([nH]1)CCC2 ZINC001170902360 785262435 /nfs/dbraw/zinc/26/24/35/785262435.db2.gz AWZXREJYLDKZFE-UHFFFAOYSA-N 1 0 342.399 2.321 20 5 EEBDRO O=C1CCCCCN1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818941600 785333119 /nfs/dbraw/zinc/33/31/19/785333119.db2.gz ZWEAHDHFMRNPFQ-INIZCTEOSA-N 1 0 335.404 2.011 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000818985119 785353250 /nfs/dbraw/zinc/35/32/50/785353250.db2.gz OMBZPTJQQVBHRP-KRWDZBQOSA-N 1 0 346.383 2.478 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)c1 ZINC000819042779 785371545 /nfs/dbraw/zinc/37/15/45/785371545.db2.gz NWAMZNIVRVVGGE-OSPHWJPCSA-N 1 0 348.424 2.167 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000819134770 785417052 /nfs/dbraw/zinc/41/70/52/785417052.db2.gz MXSDISLUTYGAKY-GOSISDBHSA-N 1 0 347.390 2.489 20 5 EEBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819112695 785430654 /nfs/dbraw/zinc/43/06/54/785430654.db2.gz HYLZBRZFOZNDPM-JHJVBQTASA-N 1 0 326.418 2.208 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000819210830 785473411 /nfs/dbraw/zinc/47/34/11/785473411.db2.gz YIFBCLXRIDFEFR-CVEARBPZSA-N 1 0 336.388 2.294 20 5 EEBDRO CC1(C)CC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000820452584 785918868 /nfs/dbraw/zinc/91/88/68/785918868.db2.gz VBFFQSRBSQVNHN-CQSZACIVSA-N 1 0 335.404 2.054 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001107199647 786370048 /nfs/dbraw/zinc/37/00/48/786370048.db2.gz DVFHVDHMOKHZMH-IHWYPQMZSA-N 1 0 332.404 2.083 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107205171 786397238 /nfs/dbraw/zinc/39/72/38/786397238.db2.gz WQSWPZKDSFXOQC-WAYWQWQTSA-N 1 0 338.383 2.160 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910280503 786610812 /nfs/dbraw/zinc/61/08/12/786610812.db2.gz BRFZMTGUFXLKBG-SNVBAGLBSA-N 1 0 349.416 2.156 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)CCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001107269643 786669484 /nfs/dbraw/zinc/66/94/84/786669484.db2.gz UYUWDRSTXWGCCI-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107475579 787319323 /nfs/dbraw/zinc/31/93/23/787319323.db2.gz LCHFQTCTNGYEHO-SNAWJCMRSA-N 1 0 334.420 2.329 20 5 EEBDRO COc1cc(Cc2noc([C@@H](C)[C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145350 787566111 /nfs/dbraw/zinc/56/61/11/787566111.db2.gz GJUROFQFXIJCPP-IUCAKERBSA-N 1 0 336.348 2.037 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000912815634 788392119 /nfs/dbraw/zinc/39/21/19/788392119.db2.gz OFTVUJMKAPBIKF-IUODEOHRSA-N 1 0 334.420 2.369 20 5 EEBDRO Cc1c[n+]([O-])c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC001171092133 788668518 /nfs/dbraw/zinc/66/85/18/788668518.db2.gz YOJVXJOHKKTVPZ-LBPRGKRZSA-N 1 0 338.367 2.297 20 5 EEBDRO Cc1c(NC(=O)CCN2[C@H](C)C[NH2+][C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000923440218 789564897 /nfs/dbraw/zinc/56/48/97/789564897.db2.gz GBJDLPSZYCFPDY-MRVWCRGKSA-N 1 0 334.420 2.303 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846067456 790052143 /nfs/dbraw/zinc/05/21/43/790052143.db2.gz FHQCQDIFAAKRTM-GFCCVEGCSA-N 1 0 346.214 2.152 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001149208374 790128989 /nfs/dbraw/zinc/12/89/89/790128989.db2.gz CETHYFHNMAYTBD-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnoc1C1CC1 ZINC001146415961 791246388 /nfs/dbraw/zinc/24/63/88/791246388.db2.gz MPGCRAJWAMCYLE-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001094140799 795991144 /nfs/dbraw/zinc/99/11/44/795991144.db2.gz VSJGEOAITYOFBP-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1cc(NCCNC(=O)C23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC001094248172 796037748 /nfs/dbraw/zinc/03/77/48/796037748.db2.gz UVFQRHJPSZJLDA-UHFFFAOYSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1cc(NCCCNC(=O)CCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001094455618 796265677 /nfs/dbraw/zinc/26/56/77/796265677.db2.gz YVCSVNIQHGZJNG-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO C[N@H+](CC(=O)NCCCNc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001094784151 796578525 /nfs/dbraw/zinc/57/85/25/796578525.db2.gz LJSNDRRYEXYDQB-UHFFFAOYSA-N 1 0 336.436 2.491 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(C[C@@H](O)CO3)CC1)CC2 ZINC001172903725 797131002 /nfs/dbraw/zinc/13/10/02/797131002.db2.gz IYHCOHKXQZPGOO-FUHWJXTLSA-N 1 0 346.427 2.458 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCOC3)CC2)c(F)c1 ZINC001173006626 797193666 /nfs/dbraw/zinc/19/36/66/797193666.db2.gz YXPGBVIGRSGJPD-LLVKDONJSA-N 1 0 327.331 2.220 20 5 EEBDRO CC(=O)C[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010561 797195732 /nfs/dbraw/zinc/19/57/32/797195732.db2.gz VAMWMPCMBVZLIZ-UHFFFAOYSA-N 1 0 327.331 2.363 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1F ZINC001173180752 797278484 /nfs/dbraw/zinc/27/84/84/797278484.db2.gz MWSDUTIWRXXARN-COPLHBTASA-N 1 0 326.368 2.376 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]1N1CCOCC1 ZINC001173222714 797305281 /nfs/dbraw/zinc/30/52/81/797305281.db2.gz YVDGRCZPRJFJBO-FHLIZLRMSA-N 1 0 333.432 2.369 20 5 EEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccco1 ZINC000917830118 798378807 /nfs/dbraw/zinc/37/88/07/798378807.db2.gz KRMDDSKYQMVDCZ-UHFFFAOYSA-N 1 0 347.371 2.205 20 5 EEBDRO Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458324 799484199 /nfs/dbraw/zinc/48/41/99/799484199.db2.gz ALHAJZWBESYTBA-IAGOWNOFSA-N 1 0 333.432 2.426 20 5 EEBDRO O=C(NCCCCCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463518 799486707 /nfs/dbraw/zinc/48/67/07/799486707.db2.gz FYWHPHOKZBOQLO-HZPDHXFCSA-N 1 0 337.464 2.498 20 5 EEBDRO Cc1nocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086185527 802433803 /nfs/dbraw/zinc/43/38/03/802433803.db2.gz BZLLMZDHOIOFFX-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001086379086 802860921 /nfs/dbraw/zinc/86/09/21/802860921.db2.gz ULKNUTOSNJWNTE-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3ccc(-c4cccc([N+](=O)[O-])c4)nn3)cc2C1 ZINC001168810595 803450711 /nfs/dbraw/zinc/45/07/11/803450711.db2.gz BARLXUANXIMMHL-ZDUSSCGKSA-N 1 0 336.355 2.054 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168965112 803552068 /nfs/dbraw/zinc/55/20/68/803552068.db2.gz YDQVPYUQZSWEOK-RYPNDVFKSA-N 1 0 339.436 2.134 20 5 EEBDRO COc1ccccc1C1(N)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168994587 803561461 /nfs/dbraw/zinc/56/14/61/803561461.db2.gz QEKYAHZLPWZAEN-GJZGRUSLSA-N 1 0 333.432 2.390 20 5 EEBDRO COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169007230 803568411 /nfs/dbraw/zinc/56/84/11/803568411.db2.gz LZKKPCHJQYVHPJ-BHYGNILZSA-N 1 0 336.432 2.366 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]1C2 ZINC001169006891 803568651 /nfs/dbraw/zinc/56/86/51/803568651.db2.gz ZPZBJABHMZAHGQ-SEBNEYGDSA-N 1 0 339.436 2.419 20 5 EEBDRO COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169009087 803570157 /nfs/dbraw/zinc/57/01/57/803570157.db2.gz VDLJGGFXCYRGSZ-GJZGRUSLSA-N 1 0 339.436 2.376 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169037268 803580622 /nfs/dbraw/zinc/58/06/22/803580622.db2.gz RPSXBIHZLLKJSR-TZMCWYRMSA-N 1 0 339.436 2.421 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001169023496 803590120 /nfs/dbraw/zinc/59/01/20/803590120.db2.gz UYKYOCGHEHMWQI-VSZNYVQBSA-N 1 0 338.448 2.482 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169025157 803590775 /nfs/dbraw/zinc/59/07/75/803590775.db2.gz SNIMZVFJFUTYAS-OVWQWFNUSA-N 1 0 347.415 2.139 20 5 EEBDRO O=C(Cc1ccccc1)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169047030 803592912 /nfs/dbraw/zinc/59/29/12/803592912.db2.gz QAELIGPWQJWEEH-QZTJIDSGSA-N 1 0 345.443 2.209 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055781 803597002 /nfs/dbraw/zinc/59/70/02/803597002.db2.gz QHLIULMCSCAXDW-BFYDXBDKSA-N 1 0 331.416 2.278 20 5 EEBDRO COC(=O)Cc1ccc(NCC23CC[NH+](CC2)CC3)cc1[N+](=O)[O-] ZINC001169801763 804059065 /nfs/dbraw/zinc/05/90/65/804059065.db2.gz HZUPKBCXQLOCRG-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001109454697 805492314 /nfs/dbraw/zinc/49/23/14/805492314.db2.gz MYDARUBSXZZUSN-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000787675093 807176776 /nfs/dbraw/zinc/17/67/76/807176776.db2.gz JEOFSLBVCXSBIG-MRXNPFEDSA-N 1 0 337.395 2.421 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3cccnc3c([N+](=O)[O-])c2)O1 ZINC001170280987 809878135 /nfs/dbraw/zinc/87/81/35/809878135.db2.gz AVAVCYHKROGOCL-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355728 809903002 /nfs/dbraw/zinc/90/30/02/809903002.db2.gz QNPVAHZVPPPQJF-SJCJKPOMSA-N 1 0 336.388 2.419 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356144 809903601 /nfs/dbraw/zinc/90/36/01/809903601.db2.gz YNWQHGHFWZQBIC-IUODEOHRSA-N 1 0 348.399 2.419 20 5 EEBDRO Cc1cncc(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131296585 812622122 /nfs/dbraw/zinc/62/21/22/812622122.db2.gz TUSDENSBJGMBJX-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO Cc1nc(C)c(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001131548668 812973700 /nfs/dbraw/zinc/97/37/00/812973700.db2.gz RROGRXXJIHXNIH-UHFFFAOYSA-N 1 0 348.428 2.117 20 5 EEBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)OCC(C)(C)[N+](=O)[O-])cc1 ZINC001526111127 1120440327 /nfs/dbraw/zinc/44/03/27/1120440327.db2.gz PVPYPEKQIFFMEU-YFHOEESVSA-N 1 0 336.388 2.239 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186795811 236022373 /nfs/dbraw/zinc/02/23/73/236022373.db2.gz SUXPXFQEZMZOPI-MFKMUULPSA-N 1 0 346.412 2.446 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186919904 236064654 /nfs/dbraw/zinc/06/46/54/236064654.db2.gz RDNOJUOENHWTNX-OAHLLOKOSA-N 1 0 336.417 2.093 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237897785 283463677 /nfs/dbraw/zinc/46/36/77/283463677.db2.gz MUZUJMYPBIDRLB-WFASDCNBSA-N 1 0 343.387 2.028 20 5 EEBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193068908 237365990 /nfs/dbraw/zinc/36/59/90/237365990.db2.gz VSUOSCWJSPHDPX-OIISXLGYSA-N 1 0 347.415 2.198 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237859348 283505598 /nfs/dbraw/zinc/50/55/98/283505598.db2.gz VXLYVYCKLRJIDD-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271678294 201245925 /nfs/dbraw/zinc/24/59/25/201245925.db2.gz JEVHDUJHBDFSJJ-LBPRGKRZSA-N 1 0 349.412 2.136 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000191363712 239067793 /nfs/dbraw/zinc/06/77/93/239067793.db2.gz HUWXFOMMTLBBAQ-BPQIPLTHSA-N 1 0 344.415 2.153 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422693863 240177674 /nfs/dbraw/zinc/17/76/74/240177674.db2.gz MUJZMDIAJPKKJD-NSHDSACASA-N 1 0 339.370 2.384 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000422694059 240178235 /nfs/dbraw/zinc/17/82/35/240178235.db2.gz NIWKAYHTBHHLEX-UHFFFAOYSA-N 1 0 329.809 2.209 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]21 ZINC000423581945 240534877 /nfs/dbraw/zinc/53/48/77/240534877.db2.gz ZPPMCENIVLZZDQ-NILFDRSVSA-N 1 0 340.383 2.342 20 5 EEBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000195666984 241031314 /nfs/dbraw/zinc/03/13/14/241031314.db2.gz GOJIEPNTZQJVCW-VXGBXAGGSA-N 1 0 345.403 2.364 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000449636808 242579931 /nfs/dbraw/zinc/57/99/31/242579931.db2.gz FGOYDPJIRJHHDK-YPMHNXCESA-N 1 0 332.404 2.416 20 5 EEBDRO COC[C@@]1(C)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451203867 243031235 /nfs/dbraw/zinc/03/12/35/243031235.db2.gz RNSKHIUKXRPQJH-KRWDZBQOSA-N 1 0 349.387 2.251 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000451622080 243180509 /nfs/dbraw/zinc/18/05/09/243180509.db2.gz DYCMRBFNFFOPBE-ZBFHGGJFSA-N 1 0 342.399 2.428 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451728149 243232416 /nfs/dbraw/zinc/23/24/16/243232416.db2.gz DULCOXBMZRTJEL-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456139511 244161080 /nfs/dbraw/zinc/16/10/80/244161080.db2.gz LFJBNQNAZCXSQB-FRFSOERESA-N 1 0 331.416 2.499 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072834734 203247872 /nfs/dbraw/zinc/24/78/72/203247872.db2.gz OBOFJWURNKSDPT-XJKSGUPXSA-N 1 0 334.420 2.338 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000076777495 203363328 /nfs/dbraw/zinc/36/33/28/203363328.db2.gz HVGUUQWSVFHIBZ-UHFFFAOYSA-N 1 0 348.403 2.171 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262961792 245270355 /nfs/dbraw/zinc/27/03/55/245270355.db2.gz WQEXTATVTUSNKK-CMPLNLGQSA-N 1 0 341.795 2.274 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000105492937 204148236 /nfs/dbraw/zinc/14/82/36/204148236.db2.gz QSGUNULUMLBUMY-CQSZACIVSA-N 1 0 332.356 2.002 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CCCC1 ZINC000471616290 245380265 /nfs/dbraw/zinc/38/02/65/245380265.db2.gz AOUHYZFUZFRVAU-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c1C ZINC000237668051 204714367 /nfs/dbraw/zinc/71/43/67/204714367.db2.gz GNHITTRKJJDOGY-HNNXBMFYSA-N 1 0 349.412 2.190 20 5 EEBDRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000127993891 205126953 /nfs/dbraw/zinc/12/69/53/205126953.db2.gz VDXXWTIJQRLGJR-ZFWWWQNUSA-N 1 0 331.372 2.423 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247017487 205252790 /nfs/dbraw/zinc/25/27/90/205252790.db2.gz SFMLLASVJONIQI-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000131282295 205281024 /nfs/dbraw/zinc/28/10/24/205281024.db2.gz LYSWDKSXPYYQCA-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000134291708 205399207 /nfs/dbraw/zinc/39/92/07/205399207.db2.gz IOJXSLDORBHKTH-UHFFFAOYSA-N 1 0 338.795 2.329 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450726 246955358 /nfs/dbraw/zinc/95/53/58/246955358.db2.gz KVYDIGPNBWOLBQ-CABCVRRESA-N 1 0 345.403 2.072 20 5 EEBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495964678 247243066 /nfs/dbraw/zinc/24/30/66/247243066.db2.gz YQDHWYZKIIAEOG-PKXJPQMGSA-N 1 0 331.372 2.382 20 5 EEBDRO O=C1OCCN1C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495964677 247243239 /nfs/dbraw/zinc/24/32/39/247243239.db2.gz YQDHWYZKIIAEOG-MFBWXBCUSA-N 1 0 331.372 2.382 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178759757 207529368 /nfs/dbraw/zinc/52/93/68/207529368.db2.gz VTMCSJBOVCCSOX-NSHDSACASA-N 1 0 332.385 2.200 20 5 EEBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000270375801 256129082 /nfs/dbraw/zinc/12/90/82/256129082.db2.gz LOMWDRZZFMFXJZ-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000270686146 256160946 /nfs/dbraw/zinc/16/09/46/256160946.db2.gz ATALALDIJWXUKE-SNVBAGLBSA-N 1 0 329.784 2.280 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000271194811 256218345 /nfs/dbraw/zinc/21/83/45/256218345.db2.gz ANCRLTASZAVAGY-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1 ZINC000273164325 256271815 /nfs/dbraw/zinc/27/18/15/256271815.db2.gz JOCQGLSFKSCMEB-MRXNPFEDSA-N 1 0 328.372 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1 ZINC000273164323 256272235 /nfs/dbraw/zinc/27/22/35/256272235.db2.gz JOCQGLSFKSCMEB-INIZCTEOSA-N 1 0 328.372 2.169 20 5 EEBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000273489215 256300686 /nfs/dbraw/zinc/30/06/86/256300686.db2.gz KJNISLCSKBLKPS-CVEARBPZSA-N 1 0 349.456 2.176 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173848369 152202724 /nfs/dbraw/zinc/20/27/24/152202724.db2.gz KGUSCMHVTGMSKF-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000027582273 158881200 /nfs/dbraw/zinc/88/12/00/158881200.db2.gz WHFVSIIPDPKBKP-QGZVFWFLSA-N 1 0 327.384 2.498 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000068199957 159017779 /nfs/dbraw/zinc/01/77/79/159017779.db2.gz VNDDQZLAIHZKJV-QGZVFWFLSA-N 1 0 342.399 2.426 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000083026929 159160644 /nfs/dbraw/zinc/16/06/44/159160644.db2.gz WKQOUSVZYQECEU-KBPBESRZSA-N 1 0 335.404 2.214 20 5 EEBDRO [NH3+]CCCCNc1ccc(I)cc1[N+](=O)[O-] ZINC000085101258 159169867 /nfs/dbraw/zinc/16/98/67/159169867.db2.gz NEIJWBKCPUZNNA-UHFFFAOYSA-N 1 0 335.145 2.350 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188677495 160126922 /nfs/dbraw/zinc/12/69/22/160126922.db2.gz FYYAFVASJMCYMU-UHFFFAOYSA-N 1 0 340.383 2.194 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000246427088 160278613 /nfs/dbraw/zinc/27/86/13/160278613.db2.gz AUOKGUJEEIZKAH-BBRMVZONSA-N 1 0 333.388 2.059 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248004204 160336282 /nfs/dbraw/zinc/33/62/82/160336282.db2.gz KRAQDTUWZQTWCQ-UONOGXRCSA-N 1 0 333.388 2.160 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000342107337 161040076 /nfs/dbraw/zinc/04/00/76/161040076.db2.gz QAGDXNYZIZDMJP-NWANDNLSSA-N 1 0 343.387 2.204 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1[N+](=O)[O-] ZINC000342428288 161064642 /nfs/dbraw/zinc/06/46/42/161064642.db2.gz FYZLBUPDQJPCCM-OWCLPIDISA-N 1 0 347.415 2.340 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342518379 161071196 /nfs/dbraw/zinc/07/11/96/161071196.db2.gz OAIZKEKRQXQYPB-WDEREUQCSA-N 1 0 341.358 2.405 20 5 EEBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000343066965 161099696 /nfs/dbraw/zinc/09/96/96/161099696.db2.gz JKWQOSOFXMDOPH-ZIAGYGMSSA-N 1 0 335.404 2.353 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000344070020 161195607 /nfs/dbraw/zinc/19/56/07/161195607.db2.gz MDKYNGGHGVNLDE-HRCADAONSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000344406816 161224156 /nfs/dbraw/zinc/22/41/56/161224156.db2.gz JBIFXAUPVCPIKM-CQSZACIVSA-N 1 0 347.415 2.273 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344731258 161240471 /nfs/dbraw/zinc/24/04/71/161240471.db2.gz ZSFUVQDCKYQORQ-UHFFFAOYSA-N 1 0 337.420 2.472 20 5 EEBDRO CC(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000355416717 163183158 /nfs/dbraw/zinc/18/31/58/163183158.db2.gz ILQFCVAEFBJPTD-UHFFFAOYSA-N 1 0 326.418 2.385 20 5 EEBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC[NH+](C)CC1 ZINC000355462082 163199143 /nfs/dbraw/zinc/19/91/43/163199143.db2.gz YNZMYZJJIZBNSM-UHFFFAOYSA-N 1 0 329.447 2.214 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CC1CCC1 ZINC000355531820 163222066 /nfs/dbraw/zinc/22/20/66/163222066.db2.gz LBLFQCZPUUSNRQ-IUODEOHRSA-N 1 0 335.404 2.453 20 5 EEBDRO Cn1cnc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358403930 163901103 /nfs/dbraw/zinc/90/11/03/163901103.db2.gz QEYZEKBTFBHUDX-ZFWWWQNUSA-N 1 0 329.404 2.267 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000359738228 164163474 /nfs/dbraw/zinc/16/34/74/164163474.db2.gz XCYJJOCECHINNP-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000360407728 164302872 /nfs/dbraw/zinc/30/28/72/164302872.db2.gz OVWOSRZNZWPFIE-OLZOCXBDSA-N 1 0 334.376 2.352 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)C4(CC4)C3)o2)c1 ZINC000364317699 165093697 /nfs/dbraw/zinc/09/36/97/165093697.db2.gz OTISFLUMUZPPLM-OAHLLOKOSA-N 1 0 329.356 2.249 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000369785053 166330033 /nfs/dbraw/zinc/33/00/33/166330033.db2.gz UMIRCMVTYWEMAZ-WMLDXEAASA-N 1 0 347.415 2.225 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000123801202 222334635 /nfs/dbraw/zinc/33/46/35/222334635.db2.gz XCTCWCAEWQHMIV-HNNXBMFYSA-N 1 0 349.412 2.136 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270144550 268794410 /nfs/dbraw/zinc/79/44/10/268794410.db2.gz QJHAJVPBOKGFLL-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272497547 268982933 /nfs/dbraw/zinc/98/29/33/268982933.db2.gz GGKDYIDLRLTCSS-INIZCTEOSA-N 1 0 330.388 2.434 20 5 EEBDRO C[NH+]1CCC(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272805862 269022640 /nfs/dbraw/zinc/02/26/40/269022640.db2.gz FTIRHRFJFBUUMI-UHFFFAOYSA-N 1 0 347.462 2.204 20 5 EEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000275417503 269114885 /nfs/dbraw/zinc/11/48/85/269114885.db2.gz HBPNFDULVSCKKL-STQMWFEESA-N 1 0 340.424 2.332 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275746633 269139787 /nfs/dbraw/zinc/13/97/87/269139787.db2.gz ZOPYUKNOCXXSFD-UHFFFAOYSA-N 1 0 345.403 2.233 20 5 EEBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279845111 269310777 /nfs/dbraw/zinc/31/07/77/269310777.db2.gz RULMOBGPFBPUCL-BBRMVZONSA-N 1 0 335.404 2.183 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280351687 269354439 /nfs/dbraw/zinc/35/44/39/269354439.db2.gz JAFAYSPZNCUDCA-KRWDZBQOSA-N 1 0 335.404 2.449 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000280883501 269397365 /nfs/dbraw/zinc/39/73/65/269397365.db2.gz BHQWDHUSENJQOG-UHFFFAOYSA-N 1 0 349.431 2.472 20 5 EEBDRO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554453 274175074 /nfs/dbraw/zinc/17/50/74/274175074.db2.gz RYANZAOGAUAXQF-DYVFJYSZSA-N 1 0 343.431 2.490 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000450367660 275039639 /nfs/dbraw/zinc/03/96/39/275039639.db2.gz CSBKHSZDKGZBHJ-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO C[NH+](C)[C@]1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCSC1 ZINC000288428080 275057221 /nfs/dbraw/zinc/05/72/21/275057221.db2.gz OCPUKMHMLHJLCG-HNNXBMFYSA-N 1 0 349.416 2.093 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288484421 275063012 /nfs/dbraw/zinc/06/30/12/275063012.db2.gz VQSJSHSIRDMWDF-ZDUSSCGKSA-N 1 0 343.449 2.135 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288518517 275066100 /nfs/dbraw/zinc/06/61/00/275066100.db2.gz TVDSSNGQBAMSTJ-VXGBXAGGSA-N 1 0 335.408 2.140 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289716842 275142183 /nfs/dbraw/zinc/14/21/83/275142183.db2.gz IGHBAJMNNPSUOF-DGCLKSJQSA-N 1 0 330.331 2.312 20 5 EEBDRO Cc1cnn([C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289756395 275145833 /nfs/dbraw/zinc/14/58/33/275145833.db2.gz FRHFTERESUPDJP-ZIAGYGMSSA-N 1 0 343.387 2.374 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000290161575 275185385 /nfs/dbraw/zinc/18/53/85/275185385.db2.gz DFBLAHOYQVMUPA-GFCCVEGCSA-N 1 0 344.433 2.467 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000290338698 275199413 /nfs/dbraw/zinc/19/94/13/275199413.db2.gz KZGNTOOUYRNLRG-UHFFFAOYSA-N 1 0 335.385 2.429 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000290579502 275219895 /nfs/dbraw/zinc/21/98/95/275219895.db2.gz LLDRADIFOHTTIV-GFCCVEGCSA-N 1 0 341.383 2.349 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291668965 275328214 /nfs/dbraw/zinc/32/82/14/275328214.db2.gz BDBVYLBDUGUYER-TZMCWYRMSA-N 1 0 343.387 2.019 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1F ZINC000450770653 277370153 /nfs/dbraw/zinc/37/01/53/277370153.db2.gz XKWBBXUDMNFSFR-JTQLQIEISA-N 1 0 337.351 2.123 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235170825 278317827 /nfs/dbraw/zinc/31/78/27/278317827.db2.gz XLAFVPYTJZKNQK-BDAKNGLRSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261765451 278539880 /nfs/dbraw/zinc/53/98/80/278539880.db2.gz KABVDIGQEIZHTO-ZYHUDNBSSA-N 1 0 344.371 2.048 20 5 EEBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376213714 278802607 /nfs/dbraw/zinc/80/26/07/278802607.db2.gz YVXUXDSUSMDBPM-HIFRSBDPSA-N 1 0 336.411 2.196 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420254278 279602626 /nfs/dbraw/zinc/60/26/26/279602626.db2.gz CMRLXXIBTUMNHE-OCCSQVGLSA-N 1 0 334.420 2.297 20 5 EEBDRO Cc1c(Br)c(N2C[C@H](C[NH3+])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000165842099 280198846 /nfs/dbraw/zinc/19/88/46/280198846.db2.gz QDPUGEBSJAJHCO-CBAPKCEASA-N 1 0 329.198 2.234 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363248888 280357891 /nfs/dbraw/zinc/35/78/91/280357891.db2.gz OPACLDNMRCIVTM-DZGCQCFKSA-N 1 0 325.796 2.284 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343421552 281013575 /nfs/dbraw/zinc/01/35/75/281013575.db2.gz CVWRWHXPCDYPBN-CVEARBPZSA-N 1 0 332.448 2.365 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367059733 281260521 /nfs/dbraw/zinc/26/05/21/281260521.db2.gz JZCVHHKCHVHGRH-HZPDHXFCSA-N 1 0 332.448 2.365 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000070175055 289780333 /nfs/dbraw/zinc/78/03/33/289780333.db2.gz UQLWDFFYPUJVJE-DTWKUNHWSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@@H+](C2CCC2)C1 ZINC000293691105 293271714 /nfs/dbraw/zinc/27/17/14/293271714.db2.gz MHYNEPNWFYSZAZ-LBPRGKRZSA-N 1 0 333.388 2.247 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000295413602 293711116 /nfs/dbraw/zinc/71/11/16/293711116.db2.gz NGPHIONUTFGLOR-QMTHXVAHSA-N 1 0 335.360 2.228 20 5 EEBDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536699 294002347 /nfs/dbraw/zinc/00/23/47/294002347.db2.gz SAWINLYTUKPPDE-MKBNYLNASA-N 1 0 332.404 2.438 20 5 EEBDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296725085 294051082 /nfs/dbraw/zinc/05/10/82/294051082.db2.gz NKADJXVGHSVWKE-RYUDHWBXSA-N 1 0 336.392 2.116 20 5 EEBDRO Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000296864842 294087544 /nfs/dbraw/zinc/08/75/44/294087544.db2.gz VNPUHMIZDPCCCO-IYBDPMFKSA-N 1 0 339.399 2.261 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000297985137 294389132 /nfs/dbraw/zinc/38/91/32/294389132.db2.gz WNNHZKFSSUVMBR-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO CC(C)C[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301090270 294821296 /nfs/dbraw/zinc/82/12/96/294821296.db2.gz ZZGXTDZJISJBEJ-UHFFFAOYSA-N 1 0 331.376 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000173337236 301429741 /nfs/dbraw/zinc/42/97/41/301429741.db2.gz JFSVUTFKNBHRIB-TZMCWYRMSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237668367 301432177 /nfs/dbraw/zinc/43/21/77/301432177.db2.gz GWHAEYAPXCJKCQ-AWEZNQCLSA-N 1 0 341.433 2.089 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187190384 302735119 /nfs/dbraw/zinc/73/51/19/302735119.db2.gz CLKHLCUTCRTZCL-FZMZJTMJSA-N 1 0 345.403 2.058 20 5 EEBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCOCC1 ZINC000165106285 311390104 /nfs/dbraw/zinc/39/01/04/311390104.db2.gz AITHJPHYCOSKMS-BBRMVZONSA-N 1 0 335.404 2.191 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170713180 311394417 /nfs/dbraw/zinc/39/44/17/311394417.db2.gz AVIFHDIOJHFRQR-OAHLLOKOSA-N 1 0 332.404 2.012 20 5 EEBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413139072 312799922 /nfs/dbraw/zinc/79/99/22/312799922.db2.gz DPWZTSVNDQQXRY-ZDUSSCGKSA-N 1 0 330.388 2.036 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000413198108 312819266 /nfs/dbraw/zinc/81/92/66/312819266.db2.gz PRVZBXRARYSOKG-CABCVRRESA-N 1 0 338.383 2.309 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414349821 313001796 /nfs/dbraw/zinc/00/17/96/313001796.db2.gz ZLDCUOOYYSNETB-HNNXBMFYSA-N 1 0 326.418 2.387 20 5 EEBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414485772 313033937 /nfs/dbraw/zinc/03/39/37/313033937.db2.gz IMTMHSDTJXCBCF-GJZGRUSLSA-N 1 0 332.356 2.436 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414957111 313115085 /nfs/dbraw/zinc/11/50/85/313115085.db2.gz VSUPAPLHFHSUMN-DTWKUNHWSA-N 1 0 344.318 2.410 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418094474 313711029 /nfs/dbraw/zinc/71/10/29/313711029.db2.gz UQLWCTSDQKQKKV-GFCCVEGCSA-N 1 0 348.325 2.396 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418638885 313867048 /nfs/dbraw/zinc/86/70/48/313867048.db2.gz LJSOIMFDQHVLKF-INIZCTEOSA-N 1 0 346.431 2.441 20 5 EEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361021 314091654 /nfs/dbraw/zinc/09/16/54/314091654.db2.gz KBENYQKMMAYAAI-ZIAGYGMSSA-N 1 0 344.415 2.446 20 5 EEBDRO CC(C)c1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000439762116 315094680 /nfs/dbraw/zinc/09/46/80/315094680.db2.gz AMVSWCGHAKTIIV-UHFFFAOYSA-N 1 0 349.431 2.295 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000440728955 315147266 /nfs/dbraw/zinc/14/72/66/315147266.db2.gz FFEMHCDXRJHSSV-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000517588918 316677974 /nfs/dbraw/zinc/67/79/74/316677974.db2.gz SYKKGVJOYIMUOT-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCC1 ZINC000535514701 317971482 /nfs/dbraw/zinc/97/14/82/317971482.db2.gz VEANADURFPTIDZ-GFCCVEGCSA-N 1 0 330.388 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000539070671 318051521 /nfs/dbraw/zinc/05/15/21/318051521.db2.gz PYXDSENAEHNAGG-UHFFFAOYSA-N 1 0 343.387 2.022 20 5 EEBDRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141119 318071300 /nfs/dbraw/zinc/07/13/00/318071300.db2.gz CTZBLXWHIODAQO-NFAWXSAZSA-N 1 0 340.445 2.329 20 5 EEBDRO COC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000542524105 318131449 /nfs/dbraw/zinc/13/14/49/318131449.db2.gz KKDMEKFJLXERRQ-CYBMUJFWSA-N 1 0 337.376 2.153 20 5 EEBDRO Cc1nn(CCC(=O)Nc2ccccc2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000549148263 318429942 /nfs/dbraw/zinc/42/99/42/318429942.db2.gz FQXNVBBUGLFMOL-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000564947765 319131480 /nfs/dbraw/zinc/13/14/80/319131480.db2.gz ZMVHYILHDWPAAY-UHFFFAOYSA-N 1 0 327.406 2.055 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000565001499 319137160 /nfs/dbraw/zinc/13/71/60/319137160.db2.gz BGNHYKNAVJZXEV-DTWKUNHWSA-N 1 0 349.309 2.392 20 5 EEBDRO CCc1cnccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566005920 319234612 /nfs/dbraw/zinc/23/46/12/319234612.db2.gz XTHSTCIRLADLKW-OAHLLOKOSA-N 1 0 331.372 2.082 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000566114271 319246693 /nfs/dbraw/zinc/24/66/93/319246693.db2.gz DXMOAROOKAZNMC-ZFWWWQNUSA-N 1 0 336.388 2.026 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000577030616 320224862 /nfs/dbraw/zinc/22/48/62/320224862.db2.gz XEXYLKVHBLNQDP-GFCCVEGCSA-N 1 0 343.387 2.057 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000181824772 323357730 /nfs/dbraw/zinc/35/77/30/323357730.db2.gz KBLMECQBUDLFLD-LBPRGKRZSA-N 1 0 348.403 2.322 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581843465 324327154 /nfs/dbraw/zinc/32/71/54/324327154.db2.gz TZQSRBMFEWVONV-UHFFFAOYSA-N 1 0 349.387 2.319 20 5 EEBDRO Cc1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000583626648 324699878 /nfs/dbraw/zinc/69/98/78/324699878.db2.gz AKGPDLCGTUXTEJ-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000165898829 463649286 /nfs/dbraw/zinc/64/92/86/463649286.db2.gz BZWPTUJHUOIRJA-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)N1C ZINC000292826465 464355688 /nfs/dbraw/zinc/35/56/88/464355688.db2.gz PHXAUKULWFQSJM-DTORHVGOSA-N 1 0 329.198 2.281 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419845 465187978 /nfs/dbraw/zinc/18/79/78/465187978.db2.gz VMVCSKRGLDXCPR-MAUKXSAKSA-N 1 0 347.415 2.277 20 5 EEBDRO Cc1ccc([C@H](O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000298093396 465299618 /nfs/dbraw/zinc/29/96/18/465299618.db2.gz MWPGALMYNMVFTB-QGZVFWFLSA-N 1 0 342.399 2.154 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000578863549 468270988 /nfs/dbraw/zinc/27/09/88/468270988.db2.gz QIZOHVWUUDPPMN-IOASZLSFSA-N 1 0 333.388 2.341 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000074317638 462585131 /nfs/dbraw/zinc/58/51/31/462585131.db2.gz PRMCJIBVNLAFHO-HNNXBMFYSA-N 1 0 331.416 2.328 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153285184 462634115 /nfs/dbraw/zinc/63/41/15/462634115.db2.gz ZERXYRWQIZFCAX-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000153960284 462714580 /nfs/dbraw/zinc/71/45/80/462714580.db2.gz ZWKOCDLNHNZTEG-ABAIWWIYSA-N 1 0 343.387 2.027 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000075651242 462745495 /nfs/dbraw/zinc/74/54/95/462745495.db2.gz YQVZHZGOTFDPER-UHFFFAOYSA-N 1 0 348.447 2.316 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047264462 462761202 /nfs/dbraw/zinc/76/12/02/462761202.db2.gz MLAUVZFDFBSZRY-GOEBONIOSA-N 1 0 332.404 2.017 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000065534460 462792160 /nfs/dbraw/zinc/79/21/60/462792160.db2.gz DLZPUGTXRNSHJE-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCOC2=O)cc1 ZINC000090538418 462796511 /nfs/dbraw/zinc/79/65/11/462796511.db2.gz FVCHGTHCCLZWBH-GFCCVEGCSA-N 1 0 345.359 2.099 20 5 EEBDRO CC[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090564452 462798890 /nfs/dbraw/zinc/79/88/90/462798890.db2.gz AOIQXGWNUFZDCN-QGZVFWFLSA-N 1 0 345.399 2.030 20 5 EEBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000131790361 462828071 /nfs/dbraw/zinc/82/80/71/462828071.db2.gz JNEIUTHBBQPRMA-ZDUSSCGKSA-N 1 0 326.418 2.385 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@@H+](C(C)C)CC1 ZINC000069083285 463206306 /nfs/dbraw/zinc/20/63/06/463206306.db2.gz FATFKGFOLXZODR-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000123994030 463384310 /nfs/dbraw/zinc/38/43/10/463384310.db2.gz FNCZIBHZDYWFIJ-XHDPSFHLSA-N 1 0 329.360 2.097 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163029324 463558431 /nfs/dbraw/zinc/55/84/31/463558431.db2.gz OBAPXLCYBUUNFU-ZJUUUORDSA-N 1 0 327.768 2.201 20 5 EEBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964652 463637957 /nfs/dbraw/zinc/63/79/57/463637957.db2.gz PNKJHDCIJNKAFM-CZUORRHYSA-N 1 0 335.404 2.129 20 5 EEBDRO Cc1c(Br)c(NC[C@@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000165725223 463646821 /nfs/dbraw/zinc/64/68/21/463646821.db2.gz GRJCMDONESYJFG-VIFPVBQESA-N 1 0 329.198 2.424 20 5 EEBDRO C[NH2+]CC1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000165817478 463647605 /nfs/dbraw/zinc/64/76/05/463647605.db2.gz BYRSWKHOOVITFH-UHFFFAOYSA-N 1 0 343.225 2.497 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000112583086 463704126 /nfs/dbraw/zinc/70/41/26/463704126.db2.gz JEKRNCWCGMYKAI-CQSZACIVSA-N 1 0 335.404 2.469 20 5 EEBDRO C[N@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000170927154 463745059 /nfs/dbraw/zinc/74/50/59/463745059.db2.gz YGNNRCGVGPRLAG-UHFFFAOYSA-N 1 0 349.435 2.180 20 5 EEBDRO Cc1nc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] ZINC000268472441 463757297 /nfs/dbraw/zinc/75/72/97/463757297.db2.gz JMSHVWSHOCUDPS-SNVBAGLBSA-N 1 0 334.405 2.045 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000286977127 463760751 /nfs/dbraw/zinc/76/07/51/463760751.db2.gz GMBJLRIHOQXYCQ-GJZGRUSLSA-N 1 0 347.415 2.449 20 5 EEBDRO C[N@H+](CCCO)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283295460 463836446 /nfs/dbraw/zinc/83/64/46/463836446.db2.gz YDGHPUDGUFIDSH-UHFFFAOYSA-N 1 0 325.384 2.013 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287217269 463837849 /nfs/dbraw/zinc/83/78/49/463837849.db2.gz QBKZUXMZLRUPOT-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261741893 463845748 /nfs/dbraw/zinc/84/57/48/463845748.db2.gz GPNCSBXLEQJWLR-AWEZNQCLSA-N 1 0 347.415 2.354 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171378165 463853565 /nfs/dbraw/zinc/85/35/65/463853565.db2.gz UZUHJZAGYWJKIU-STQMWFEESA-N 1 0 349.387 2.007 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[C@@H]1CCC[N@@H+]1C ZINC000185730770 463870085 /nfs/dbraw/zinc/87/00/85/463870085.db2.gz XBXLQABBMIUTFW-NSHDSACASA-N 1 0 348.428 2.418 20 5 EEBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000194655909 463904055 /nfs/dbraw/zinc/90/40/55/463904055.db2.gz VVFLDDRCEVNRJT-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185951597 463911875 /nfs/dbraw/zinc/91/18/75/463911875.db2.gz AAHMTOMTNRCLES-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO CC(C)(CC(N)=O)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186218998 463954450 /nfs/dbraw/zinc/95/44/50/463954450.db2.gz CLOGTOATBNLEIK-UHFFFAOYSA-N 1 0 332.360 2.036 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579088 464026644 /nfs/dbraw/zinc/02/66/44/464026644.db2.gz YXCYCZJBSFRVJP-NVXWUHKLSA-N 1 0 338.404 2.259 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC000178980203 464030410 /nfs/dbraw/zinc/03/04/10/464030410.db2.gz KMJOWMNNFYTGPO-ABAIWWIYSA-N 1 0 341.433 2.089 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126105 464040317 /nfs/dbraw/zinc/04/03/17/464040317.db2.gz QQAZKPGKPQXYNE-JKSUJKDBSA-N 1 0 330.388 2.374 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590971756 468388208 /nfs/dbraw/zinc/38/82/08/468388208.db2.gz KTQMOKCXMOIJQS-FVQBIDKESA-N 1 0 331.416 2.422 20 5 EEBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016412 468392540 /nfs/dbraw/zinc/39/25/40/468392540.db2.gz NEFARQKHKFGOFW-WBVHZDCISA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274842 464181895 /nfs/dbraw/zinc/18/18/95/464181895.db2.gz SKZWMFLTCSNNDY-CXAGYDPISA-N 1 0 327.384 2.385 20 5 EEBDRO CC(=O)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179817021 464193378 /nfs/dbraw/zinc/19/33/78/464193378.db2.gz ODMUJEOXUZPIAU-UHFFFAOYSA-N 1 0 343.330 2.250 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000284458763 464199425 /nfs/dbraw/zinc/19/94/25/464199425.db2.gz RTOYBXYSNZNQAU-NHYWBVRUSA-N 1 0 333.388 2.206 20 5 EEBDRO CCC(CC)(C[NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236649433 464217182 /nfs/dbraw/zinc/21/71/82/464217182.db2.gz MPLNDYYJJZAQMU-UHFFFAOYSA-N 1 0 334.420 2.009 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000188213501 464225896 /nfs/dbraw/zinc/22/58/96/464225896.db2.gz FCWDOMSFPNVKBH-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000188252396 464237448 /nfs/dbraw/zinc/23/74/48/464237448.db2.gz QUGRSTTUEACPDY-UHFFFAOYSA-N 1 0 332.404 2.314 20 5 EEBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000188372870 464266628 /nfs/dbraw/zinc/26/66/28/464266628.db2.gz ADLNMTYDODYJLV-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000173714331 464309903 /nfs/dbraw/zinc/30/99/03/464309903.db2.gz ZSCSLUOPZSZSBB-CQSZACIVSA-N 1 0 334.420 2.468 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000264461370 464335595 /nfs/dbraw/zinc/33/55/95/464335595.db2.gz VDWTYPRCOCWQDD-CJNGLKHVSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000281201465 464368023 /nfs/dbraw/zinc/36/80/23/464368023.db2.gz PJEZGPNMMSJWLK-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000294244773 464443423 /nfs/dbraw/zinc/44/34/23/464443423.db2.gz XRDIQNXTVJOXES-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000281507905 464483577 /nfs/dbraw/zinc/48/35/77/464483577.db2.gz IJHACHSIFNPLNE-ZIAGYGMSSA-N 1 0 347.415 2.414 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1C ZINC000189498068 464519712 /nfs/dbraw/zinc/51/97/12/464519712.db2.gz SOFLHQDRKGKSLH-ZFWWWQNUSA-N 1 0 347.415 2.468 20 5 EEBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000294622999 464555271 /nfs/dbraw/zinc/55/52/71/464555271.db2.gz XYAVRROTPSKTLM-AWEZNQCLSA-N 1 0 347.415 2.406 20 5 EEBDRO CCc1nnc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[nH]1 ZINC000294662222 464566428 /nfs/dbraw/zinc/56/64/28/464566428.db2.gz AMEYDGNSFXVWSP-UHFFFAOYSA-N 1 0 327.291 2.167 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000175626431 464588779 /nfs/dbraw/zinc/58/87/79/464588779.db2.gz FUGZHVGREDJIQB-ZIAGYGMSSA-N 1 0 349.435 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000281814538 464595248 /nfs/dbraw/zinc/59/52/48/464595248.db2.gz WHQPCJVEPRIQLN-SFHVURJKSA-N 1 0 344.367 2.234 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285533934 464599001 /nfs/dbraw/zinc/59/90/01/464599001.db2.gz LDGTWWZMJLECMZ-QLFBSQMISA-N 1 0 346.431 2.480 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000294952353 464661279 /nfs/dbraw/zinc/66/12/79/464661279.db2.gz AWYCAKFIFBBWHU-ZIAGYGMSSA-N 1 0 346.431 2.338 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000247512410 464688445 /nfs/dbraw/zinc/68/84/45/464688445.db2.gz JUIAAUWSUNHEIM-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000295159819 464727346 /nfs/dbraw/zinc/72/73/46/464727346.db2.gz QLLRXWPJWDZESS-GXTWGEPZSA-N 1 0 345.399 2.299 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000295181338 464736159 /nfs/dbraw/zinc/73/61/59/464736159.db2.gz HNBODUXBZDUGEL-QLPKVWCKSA-N 1 0 339.351 2.335 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccn1 ZINC000295257829 464765319 /nfs/dbraw/zinc/76/53/19/464765319.db2.gz ZYMNHVLDYHHRJG-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)nc1 ZINC000248834330 464808592 /nfs/dbraw/zinc/80/85/92/464808592.db2.gz NLMPAQYFMFGHTM-CJNGLKHVSA-N 1 0 336.392 2.019 20 5 EEBDRO C[C@@H](O)[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183185384 464816302 /nfs/dbraw/zinc/81/63/02/464816302.db2.gz IVSAVWMNFQHNJT-WZRBSPASSA-N 1 0 332.360 2.409 20 5 EEBDRO C[C@H]1CSCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248957096 464823949 /nfs/dbraw/zinc/82/39/49/464823949.db2.gz BQKCCGXXAMDJOS-DOMZBBRYSA-N 1 0 335.429 2.385 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000286227780 464847706 /nfs/dbraw/zinc/84/77/06/464847706.db2.gz SQVJPKZAGDMDOE-AWEZNQCLSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1noc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000266876194 464855133 /nfs/dbraw/zinc/85/51/33/464855133.db2.gz MMFIENUWOQTTLA-UHFFFAOYSA-N 1 0 331.376 2.041 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000276233728 464857560 /nfs/dbraw/zinc/85/75/60/464857560.db2.gz OKURMKNGNJMEQN-UHFFFAOYSA-N 1 0 336.436 2.465 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286271673 464863600 /nfs/dbraw/zinc/86/36/00/464863600.db2.gz BIOJRYQCKJPXEN-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO COC[C@@]1(C)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000295540896 464876023 /nfs/dbraw/zinc/87/60/23/464876023.db2.gz SEBJVKRWWRQPDW-KRWDZBQOSA-N 1 0 344.371 2.279 20 5 EEBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccc(F)cc1 ZINC000177064064 464920525 /nfs/dbraw/zinc/92/05/25/464920525.db2.gz MOVWGYPYOJZMOA-UHFFFAOYSA-N 1 0 346.362 2.178 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000286607278 464975563 /nfs/dbraw/zinc/97/55/63/464975563.db2.gz YFNODJNCYRCHMI-GFCCVEGCSA-N 1 0 341.358 2.027 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286618964 464981820 /nfs/dbraw/zinc/98/18/20/464981820.db2.gz RYBXPBFPWCVJIV-SMDDNHRTSA-N 1 0 348.321 2.466 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC[C@H]2CCCO2)n1 ZINC000252584771 464984276 /nfs/dbraw/zinc/98/42/76/464984276.db2.gz CUAKFGDWCSYLFO-RBSFLKMASA-N 1 0 338.408 2.060 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908677 464997504 /nfs/dbraw/zinc/99/75/04/464997504.db2.gz YKSPRMOYAHWJRT-SUMWQHHRSA-N 1 0 346.431 2.261 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000593913176 468430568 /nfs/dbraw/zinc/43/05/68/468430568.db2.gz RYTQFZUTMQDYDT-CYZMBNFOSA-N 1 0 339.417 2.015 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000593913178 468430632 /nfs/dbraw/zinc/43/06/32/468430632.db2.gz RYTQFZUTMQDYDT-RTXFEEFZSA-N 1 0 339.417 2.015 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348158798 465456308 /nfs/dbraw/zinc/45/63/08/465456308.db2.gz IGFUKMNGMDNHNR-TZMCWYRMSA-N 1 0 349.387 2.034 20 5 EEBDRO CC[N@@H+](Cc1ccncc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298707019 465478173 /nfs/dbraw/zinc/47/81/73/465478173.db2.gz YCHNEXFSKQYABA-MRXNPFEDSA-N 1 0 331.372 2.252 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352816665 465558669 /nfs/dbraw/zinc/55/86/69/465558669.db2.gz PVDBQKCYYGTBAT-KWBADKCTSA-N 1 0 339.417 2.272 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357043710 465722434 /nfs/dbraw/zinc/72/24/34/465722434.db2.gz RDXIOMQYIGIPSN-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330597781 465724426 /nfs/dbraw/zinc/72/44/26/465724426.db2.gz SNOIAUKCNWGAGI-OLZOCXBDSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088616 465761347 /nfs/dbraw/zinc/76/13/47/465761347.db2.gz SYECEAVKQXDNLK-UKRRQHHQSA-N 1 0 346.431 2.243 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344675508 465771641 /nfs/dbraw/zinc/77/16/41/465771641.db2.gz SDUIRXNZXAGJHN-HNNXBMFYSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000361210838 465838316 /nfs/dbraw/zinc/83/83/16/465838316.db2.gz DETAIUZNKVEXCE-HOTGVXAUSA-N 1 0 349.431 2.000 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371517238 465851425 /nfs/dbraw/zinc/85/14/25/465851425.db2.gz NMSXETMXBHEUBR-KBPBESRZSA-N 1 0 332.404 2.092 20 5 EEBDRO [NH3+][C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000580063234 468459386 /nfs/dbraw/zinc/45/93/86/468459386.db2.gz RNVYBMXRFJNIKC-MRXNPFEDSA-N 1 0 327.384 2.214 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000366725653 465898408 /nfs/dbraw/zinc/89/84/08/465898408.db2.gz TVGSRTNOHJKYNR-ZDUSSCGKSA-N 1 0 349.435 2.407 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000331028343 465903273 /nfs/dbraw/zinc/90/32/73/465903273.db2.gz CZRCEWBYVCVGMU-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(C)CC1 ZINC000301116576 465905729 /nfs/dbraw/zinc/90/57/29/465905729.db2.gz PZQFGCSZASVIRE-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000331063935 465919288 /nfs/dbraw/zinc/91/92/88/465919288.db2.gz WLMJCVVZAATCOG-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO C[N@H+](CCCO)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353481229 465919426 /nfs/dbraw/zinc/91/94/26/465919426.db2.gz IOPYEQCYKXJQIS-DAXSKMNVSA-N 1 0 333.432 2.387 20 5 EEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cn2)CC1 ZINC000338230027 465920001 /nfs/dbraw/zinc/92/00/01/465920001.db2.gz DZXVPQJARVIFOT-UHFFFAOYSA-N 1 0 345.359 2.043 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000301456621 465966755 /nfs/dbraw/zinc/96/67/55/465966755.db2.gz MYVOIOHQRAYHHE-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209461 465993454 /nfs/dbraw/zinc/99/34/54/465993454.db2.gz XSJJYTNSIDSMSW-VBQJREDUSA-N 1 0 346.431 2.195 20 5 EEBDRO CC[N@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000362763969 466008497 /nfs/dbraw/zinc/00/84/97/466008497.db2.gz XXDVWRGCMRUGKE-UHFFFAOYSA-N 1 0 329.347 2.262 20 5 EEBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000331288748 466014031 /nfs/dbraw/zinc/01/40/31/466014031.db2.gz NLXYRMCKUPUGLZ-DVOMOZLQSA-N 1 0 335.404 2.039 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000371823063 466017895 /nfs/dbraw/zinc/01/78/95/466017895.db2.gz BDWIMQVSRKINHX-DLBZAZTESA-N 1 0 349.431 2.025 20 5 EEBDRO Cn1nnc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000362957623 466145727 /nfs/dbraw/zinc/14/57/27/466145727.db2.gz KDRLHMMDZOIFLK-UHFFFAOYSA-N 1 0 330.373 2.137 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000338552983 466216702 /nfs/dbraw/zinc/21/67/02/466216702.db2.gz ZBCIRNBHOKCXAB-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000363164211 466256865 /nfs/dbraw/zinc/25/68/65/466256865.db2.gz KAGHLJSJKUMLNP-BHYGNILZSA-N 1 0 347.415 2.227 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578260 468486249 /nfs/dbraw/zinc/48/62/49/468486249.db2.gz HVOUMQJVLWXTRC-HOCLYGCPSA-N 1 0 329.404 2.149 20 5 EEBDRO Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363417611 466393035 /nfs/dbraw/zinc/39/30/35/466393035.db2.gz ABZWOMGLUUILKI-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350247501 466438849 /nfs/dbraw/zinc/43/88/49/466438849.db2.gz KWQLAZXNRBKOLB-UHFFFAOYSA-N 1 0 325.384 2.059 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358150396 466496159 /nfs/dbraw/zinc/49/61/59/466496159.db2.gz MZYWVOXEIJOWDJ-NEPJUHHUSA-N 1 0 336.392 2.451 20 5 EEBDRO COc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332329738 466510556 /nfs/dbraw/zinc/51/05/56/466510556.db2.gz PBMDGDBPJTVBPH-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313391677 466542031 /nfs/dbraw/zinc/54/20/31/466542031.db2.gz VHYSNSKTIOWADK-KRWDZBQOSA-N 1 0 325.368 2.310 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000315620712 466562736 /nfs/dbraw/zinc/56/27/36/466562736.db2.gz PEROUDLCJZOBJE-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC2(CCC2)C1 ZINC000363910890 466651126 /nfs/dbraw/zinc/65/11/26/466651126.db2.gz SDCODFQWPRVALQ-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423243534 466702317 /nfs/dbraw/zinc/70/23/17/466702317.db2.gz GLHBQFHEFKIPRG-BBRMVZONSA-N 1 0 329.404 2.007 20 5 EEBDRO [NH3+][C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000423482720 466755449 /nfs/dbraw/zinc/75/54/49/466755449.db2.gz RZDOAYHUOIFUOF-OAHLLOKOSA-N 1 0 339.370 2.288 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373440713 466804260 /nfs/dbraw/zinc/80/42/60/466804260.db2.gz DXGCACHJQWENTB-GASCZTMLSA-N 1 0 341.367 2.392 20 5 EEBDRO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365863806 466967550 /nfs/dbraw/zinc/96/75/50/466967550.db2.gz REDKXHDTUGLGJM-AWEZNQCLSA-N 1 0 349.435 2.219 20 5 EEBDRO C[C@@H]1C[C@H](O)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000412028502 466969971 /nfs/dbraw/zinc/96/99/71/466969971.db2.gz BHWWJSZDPJWYMZ-DOMZBBRYSA-N 1 0 331.372 2.495 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418084770 467041070 /nfs/dbraw/zinc/04/10/70/467041070.db2.gz WHEDZMAKFGYNIH-RRFJBIMHSA-N 1 0 332.404 2.172 20 5 EEBDRO CCC[NH2+]CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418490793 467118434 /nfs/dbraw/zinc/11/84/34/467118434.db2.gz QIHAXESJADYSSZ-HNNXBMFYSA-N 1 0 334.420 2.483 20 5 EEBDRO CC(C)(NC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000418601886 467134419 /nfs/dbraw/zinc/13/44/19/467134419.db2.gz MCMPZNNDAAZETF-UHFFFAOYSA-N 1 0 332.404 2.439 20 5 EEBDRO CC(C)[N@@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000428244123 467215778 /nfs/dbraw/zinc/21/57/78/467215778.db2.gz ONOBNACBSQFVIB-KRWDZBQOSA-N 1 0 346.431 2.116 20 5 EEBDRO CC[C@H]1CN(CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451928004 467286446 /nfs/dbraw/zinc/28/64/46/467286446.db2.gz CTORYUWIWYRIOG-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1noc(C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000429534141 467342794 /nfs/dbraw/zinc/34/27/94/467342794.db2.gz YZNDCWDGFGULQW-HNNXBMFYSA-N 1 0 342.359 2.056 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420316804 467352859 /nfs/dbraw/zinc/35/28/59/467352859.db2.gz YNJWNSVABDVAPN-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343808 467370429 /nfs/dbraw/zinc/37/04/29/467370429.db2.gz RJRUHCHVJYPBFQ-MRXNPFEDSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573919 467442744 /nfs/dbraw/zinc/44/27/44/467442744.db2.gz NENLOVFHPFHTCE-AAEUAGOBSA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573921 467443067 /nfs/dbraw/zinc/44/30/67/467443067.db2.gz NENLOVFHPFHTCE-DGCLKSJQSA-N 1 0 331.376 2.204 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435228879 467452621 /nfs/dbraw/zinc/45/26/21/467452621.db2.gz CZZJZERSXRUOOB-HNNXBMFYSA-N 1 0 344.415 2.162 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000430785028 467466402 /nfs/dbraw/zinc/46/64/02/467466402.db2.gz SNFOSYDQZICHIU-KBPBESRZSA-N 1 0 335.404 2.223 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000453267279 467473868 /nfs/dbraw/zinc/47/38/68/467473868.db2.gz PCFDERVOOUTPOD-QZTJIDSGSA-N 1 0 347.459 2.352 20 5 EEBDRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430922423 467475904 /nfs/dbraw/zinc/47/59/04/467475904.db2.gz AGMCREYIKHKPNM-JTQLQIEISA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420924511 467515934 /nfs/dbraw/zinc/51/59/34/467515934.db2.gz JZIKUKMGUCDMLO-QWHCGFSZSA-N 1 0 338.408 2.234 20 5 EEBDRO CC(C)(NC(=O)COC1CCC([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449307658 467629970 /nfs/dbraw/zinc/62/99/70/467629970.db2.gz QOGYYPUMFCKJSS-UHFFFAOYSA-N 1 0 335.404 2.233 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000458161539 467779935 /nfs/dbraw/zinc/77/99/35/467779935.db2.gz HHKUPVUKOLTXCC-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450351794 467833922 /nfs/dbraw/zinc/83/39/22/467833922.db2.gz ABSIFOOKRVNYAR-VXGBXAGGSA-N 1 0 330.388 2.468 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450394865 467841682 /nfs/dbraw/zinc/84/16/82/467841682.db2.gz YMVJAZHQEBYRBT-CYBMUJFWSA-N 1 0 330.388 2.300 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352096 467892635 /nfs/dbraw/zinc/89/26/35/467892635.db2.gz MIHMKKAZVVSWMZ-KIUWMYQTSA-N 1 0 347.415 2.225 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459798196 467965969 /nfs/dbraw/zinc/96/59/69/467965969.db2.gz UALKTOMLEISLAF-NSHDSACASA-N 1 0 347.375 2.016 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000515621220 467999467 /nfs/dbraw/zinc/99/94/67/467999467.db2.gz JGLXGDANUBBFNU-AEGPPILISA-N 1 0 344.415 2.051 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487225035 468029575 /nfs/dbraw/zinc/02/95/75/468029575.db2.gz VXMLCWGKIYGDCE-MFKMUULPSA-N 1 0 325.796 2.105 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488075999 468070783 /nfs/dbraw/zinc/07/07/83/468070783.db2.gz MCBNNUPUAHTQQI-CYBMUJFWSA-N 1 0 330.388 2.300 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496290943 468144879 /nfs/dbraw/zinc/14/48/79/468144879.db2.gz FBJASPZSJCQTRP-CYBMUJFWSA-N 1 0 349.387 2.268 20 5 EEBDRO COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000551571794 468242849 /nfs/dbraw/zinc/24/28/49/468242849.db2.gz VXEBQLMZJBZFIF-AWEZNQCLSA-N 1 0 332.356 2.133 20 5 EEBDRO CC(C)c1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000591742179 468512829 /nfs/dbraw/zinc/51/28/29/468512829.db2.gz HGFBEBOSPBKPOO-CYBMUJFWSA-N 1 0 335.360 2.236 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000600310103 468529033 /nfs/dbraw/zinc/52/90/33/468529033.db2.gz GLAAKQBMAOBLTN-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000594389083 468569063 /nfs/dbraw/zinc/56/90/63/468569063.db2.gz FEUXFPBWHXPPJK-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000594390020 468569343 /nfs/dbraw/zinc/56/93/43/468569343.db2.gz RDWMJGRVJZFZKW-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594390528 468570327 /nfs/dbraw/zinc/57/03/27/468570327.db2.gz XFKKXVVIANJRGH-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CNc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594418836 468579347 /nfs/dbraw/zinc/57/93/47/468579347.db2.gz MFMHRGDZZQDXLU-ZIAGYGMSSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582724140 468584476 /nfs/dbraw/zinc/58/44/76/468584476.db2.gz AQFSWRPBSSCWKX-DOMZBBRYSA-N 1 0 349.387 2.043 20 5 EEBDRO CNC(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594596943 468631084 /nfs/dbraw/zinc/63/10/84/468631084.db2.gz BJSOGHUFGDXHPP-HIFRSBDPSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597709754 468647098 /nfs/dbraw/zinc/64/70/98/468647098.db2.gz BDEYQYMEIWTDBY-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182943 468647858 /nfs/dbraw/zinc/64/78/58/468647858.db2.gz DSJHJSVENWSGSJ-AWEZNQCLSA-N 1 0 347.415 2.449 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592255141 468665241 /nfs/dbraw/zinc/66/52/41/468665241.db2.gz MYOZJQRXTZEDSH-QWHCGFSZSA-N 1 0 332.404 2.029 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255722 468666100 /nfs/dbraw/zinc/66/61/00/468666100.db2.gz QQJMOHRUADHJJJ-HZPDHXFCSA-N 1 0 331.416 2.376 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592256342 468666151 /nfs/dbraw/zinc/66/61/51/468666151.db2.gz YCXDVWZUWUYGOR-HUUCEWRRSA-N 1 0 347.415 2.455 20 5 EEBDRO Cn1cc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592432448 468696740 /nfs/dbraw/zinc/69/67/40/468696740.db2.gz JWWLFVCJWIGJTP-CXAGYDPISA-N 1 0 341.415 2.179 20 5 EEBDRO C[C@@H](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000597998762 468735295 /nfs/dbraw/zinc/73/52/95/468735295.db2.gz QOBRZJFYNJLFDQ-AWEZNQCLSA-N 1 0 348.447 2.268 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595274108 468798795 /nfs/dbraw/zinc/79/87/95/468798795.db2.gz NNMUPDMWSNFQAB-QMMMGPOBSA-N 1 0 334.298 2.021 20 5 EEBDRO CCOc1cc(N2CCN(C[C@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000593029768 468845483 /nfs/dbraw/zinc/84/54/83/468845483.db2.gz WLOWCGRSFQRQHK-MRXNPFEDSA-N 1 0 348.447 2.210 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000598716569 468972372 /nfs/dbraw/zinc/97/23/72/468972372.db2.gz NFXGMXCHRMZTNU-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000601705295 468975356 /nfs/dbraw/zinc/97/53/56/468975356.db2.gz LCRVDLPQUDWMAD-UKRRQHHQSA-N 1 0 342.399 2.421 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1=CCCOC1 ZINC000595747952 468984837 /nfs/dbraw/zinc/98/48/37/468984837.db2.gz QQAGZTLLRFOJPX-UHFFFAOYSA-N 1 0 347.371 2.171 20 5 EEBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602686521 469011986 /nfs/dbraw/zinc/01/19/86/469011986.db2.gz FOZLZHSRJTUWPE-ZDUSSCGKSA-N 1 0 328.372 2.458 20 5 EEBDRO CC(C)CC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602722834 469032467 /nfs/dbraw/zinc/03/24/67/469032467.db2.gz ICNYBYYEFDBREC-OAHLLOKOSA-N 1 0 336.436 2.345 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000602760504 469057934 /nfs/dbraw/zinc/05/79/34/469057934.db2.gz PZUUMGVEYNHDRF-UHFFFAOYSA-N 1 0 343.431 2.308 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000595939086 469092530 /nfs/dbraw/zinc/09/25/30/469092530.db2.gz VGFUGNQSJXTYLH-OAHLLOKOSA-N 1 0 334.420 2.210 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611092018 469160648 /nfs/dbraw/zinc/16/06/48/469160648.db2.gz GQJGIJIUZRPLFS-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO NC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596169050 469184707 /nfs/dbraw/zinc/18/47/07/469184707.db2.gz DHYQJKQAVKDWTN-LRDDRELGSA-N 1 0 344.415 2.147 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602431844 469314253 /nfs/dbraw/zinc/31/42/53/469314253.db2.gz FHBUNHXFRKZAMB-UHFFFAOYSA-N 1 0 344.209 2.414 20 5 EEBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567377 469363477 /nfs/dbraw/zinc/36/34/77/469363477.db2.gz CHZJXDGSLGWVQN-DYVFJYSZSA-N 1 0 345.447 2.031 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000612117386 469399256 /nfs/dbraw/zinc/39/92/56/469399256.db2.gz JGNVQYCANFTHEO-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000619617786 469651561 /nfs/dbraw/zinc/65/15/61/469651561.db2.gz DVDKFSMUHDEAFS-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471386 469930048 /nfs/dbraw/zinc/93/00/48/469930048.db2.gz ZVAQFVKAGIEGNG-ZDUSSCGKSA-N 1 0 338.408 2.003 20 5 EEBDRO CC1CCC([NH+]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000609670660 469953769 /nfs/dbraw/zinc/95/37/69/469953769.db2.gz GUDGHUVWTCSTPP-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000618467851 469995026 /nfs/dbraw/zinc/99/50/26/469995026.db2.gz LUXJUQFGODTYEH-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920672 470328286 /nfs/dbraw/zinc/32/82/86/470328286.db2.gz GSIFIIZLBLMSHW-GASCZTMLSA-N 1 0 347.418 2.118 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccn2)c1 ZINC000183565872 533876429 /nfs/dbraw/zinc/87/64/29/533876429.db2.gz FLGUPSBIIZTFSJ-ZDUSSCGKSA-N 1 0 326.360 2.328 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CC1 ZINC000416300427 533930631 /nfs/dbraw/zinc/93/06/31/533930631.db2.gz ISJAZPQCJAFILF-SNVBAGLBSA-N 1 0 341.795 2.226 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cnn(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2)cc1 ZINC000418864013 534881252 /nfs/dbraw/zinc/88/12/52/534881252.db2.gz HYZJUNHTCNUGNI-CALCHBBNSA-N 1 0 328.372 2.322 20 5 EEBDRO CC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193396579 528019539 /nfs/dbraw/zinc/01/95/39/528019539.db2.gz XILWLCSNNWKSMK-UHFFFAOYSA-N 1 0 341.795 2.275 20 5 EEBDRO CC1([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183833335 528053051 /nfs/dbraw/zinc/05/30/51/528053051.db2.gz JMUVCPWKHSKKHB-CQSZACIVSA-N 1 0 336.388 2.449 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491530423 535857611 /nfs/dbraw/zinc/85/76/11/535857611.db2.gz BBGYTTRJCFFTBM-IJDCCNJMSA-N 1 0 347.415 2.177 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000728775179 576525684 /nfs/dbraw/zinc/52/56/84/576525684.db2.gz UJPODVSXASKDIG-GFCCVEGCSA-N 1 0 336.369 2.132 20 5 EEBDRO COC(=O)c1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000776274003 577456200 /nfs/dbraw/zinc/45/62/00/577456200.db2.gz FYWIMGXIQWJTJU-MRXNPFEDSA-N 1 0 348.355 2.448 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000777309030 577476363 /nfs/dbraw/zinc/47/63/63/577476363.db2.gz IULJZQMPJNTUTH-ZFWWWQNUSA-N 1 0 336.388 2.476 20 5 EEBDRO O=C1CN(C[N@@H+]2CC[C@@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000763332413 577719254 /nfs/dbraw/zinc/71/92/54/577719254.db2.gz LPORZAZVVHJHDI-CYBMUJFWSA-N 1 0 344.371 2.053 20 5 EEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742309581 577870824 /nfs/dbraw/zinc/87/08/24/577870824.db2.gz POIUPWOWXYRQFU-ONGXEEELSA-N 1 0 347.824 2.009 20 5 EEBDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260999 577882346 /nfs/dbraw/zinc/88/23/46/577882346.db2.gz NHHJVCUNCSPJRN-SMDDNHRTSA-N 1 0 338.795 2.026 20 5 EEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000748242560 577958080 /nfs/dbraw/zinc/95/80/80/577958080.db2.gz PRTKBARZXNNPCN-INIZCTEOSA-N 1 0 338.360 2.283 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)c1 ZINC000749675387 577979706 /nfs/dbraw/zinc/97/97/06/577979706.db2.gz KWMMHCFQQLDJOF-HNNXBMFYSA-N 1 0 346.339 2.026 20 5 EEBDRO CC(C)(O)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000750048182 577986150 /nfs/dbraw/zinc/98/61/50/577986150.db2.gz UNZRJIGBDPKHDK-UHFFFAOYSA-N 1 0 326.368 2.486 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001021774530 676434636 /nfs/dbraw/zinc/43/46/36/676434636.db2.gz SQWSHMLYRQPHTC-GASCZTMLSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC001021841875 676517401 /nfs/dbraw/zinc/51/74/01/676517401.db2.gz PQRZLMYJUSXGQP-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001021890113 676538160 /nfs/dbraw/zinc/53/81/60/676538160.db2.gz PVIRVNAGIAYCSQ-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(Cl)c1 ZINC001022064052 676628636 /nfs/dbraw/zinc/62/86/36/676628636.db2.gz SIHWMIPOIZOZMJ-QVHKTLOISA-N 1 0 337.807 2.050 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001022262279 676775101 /nfs/dbraw/zinc/77/51/01/676775101.db2.gz UJLSRLZZBWSBOM-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891722272 676802436 /nfs/dbraw/zinc/80/24/36/676802436.db2.gz APNXCQHIAXLLQZ-SFHVURJKSA-N 1 0 346.431 2.313 20 5 EEBDRO COC(=O)c1sccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000894454665 682900862 /nfs/dbraw/zinc/90/08/62/682900862.db2.gz ZHZUCFILCRMYSC-UHFFFAOYSA-N 1 0 335.385 2.408 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(c3ccc4nonc4c3[N+](=O)[O-])C2)CC1 ZINC000892983293 683462431 /nfs/dbraw/zinc/46/24/31/683462431.db2.gz IJBDKLDIRGJFHM-LBPRGKRZSA-N 1 0 331.376 2.299 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001059233586 683481496 /nfs/dbraw/zinc/48/14/96/683481496.db2.gz QTYNENOMCSLFBG-SHTZXODSSA-N 1 0 332.404 2.058 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC001020022084 683530945 /nfs/dbraw/zinc/53/09/45/683530945.db2.gz QWNGWCVLKFWSLI-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893292405 684548329 /nfs/dbraw/zinc/54/83/29/684548329.db2.gz WURZBEYNJCPPLF-NSHDSACASA-N 1 0 338.360 2.253 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896938735 685999224 /nfs/dbraw/zinc/99/92/24/685999224.db2.gz DZLZDSBAKCVCAO-AWEZNQCLSA-N 1 0 337.420 2.298 20 5 EEBDRO CSCC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985246014 686144698 /nfs/dbraw/zinc/14/46/98/686144698.db2.gz NAXYWEYCNPOFJN-UHFFFAOYSA-N 1 0 337.445 2.381 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000897571357 691626763 /nfs/dbraw/zinc/62/67/63/691626763.db2.gz ONHQEVFOXJQLJO-CQSZACIVSA-N 1 0 349.431 2.442 20 5 EEBDRO O=C(C1CCOCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989840627 692375306 /nfs/dbraw/zinc/37/53/06/692375306.db2.gz BLCXTRCXXBSENY-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001105441773 1187158259 /nfs/dbraw/zinc/15/82/59/1187158259.db2.gz JSUGQNUYFXHTAQ-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842348868 1188648001 /nfs/dbraw/zinc/64/80/01/1188648001.db2.gz MMIAXCPAWWGMMQ-OAGGEKHMSA-N 1 0 332.400 2.496 20 5 EEBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000159428208 1188715915 /nfs/dbraw/zinc/71/59/15/1188715915.db2.gz QUIAYMFXDZMJNR-SNVBAGLBSA-N 1 0 328.210 2.493 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000872036686 1198032034 /nfs/dbraw/zinc/03/20/34/1198032034.db2.gz VFQSJPQCHZKGKE-JSGCOSHPSA-N 1 0 338.477 2.213 20 5 EEBDRO CC(F)(F)C1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001133952648 1199189665 /nfs/dbraw/zinc/18/96/65/1199189665.db2.gz FTNUWCVQOHXGBG-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170752951 1199613522 /nfs/dbraw/zinc/61/35/22/1199613522.db2.gz VHSLKSCDBPLJPM-INIZCTEOSA-N 1 0 342.399 2.347 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000877601087 1199978097 /nfs/dbraw/zinc/97/80/97/1199978097.db2.gz WIUDBLYQZITSOC-UHFFFAOYSA-N 1 0 332.404 2.201 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CCOCC1 ZINC000866308756 1201489542 /nfs/dbraw/zinc/48/95/42/1201489542.db2.gz GEHZOKSIIYZRRC-GFCCVEGCSA-N 1 0 326.368 2.044 20 5 EEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866336981 1201495665 /nfs/dbraw/zinc/49/56/65/1201495665.db2.gz HXUUDJZIMNLILL-DJSGYFEHSA-N 1 0 326.368 2.449 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000800139317 1202211841 /nfs/dbraw/zinc/21/18/41/1202211841.db2.gz YGMMKJVDAPUJPK-UHFFFAOYSA-N 1 0 337.332 2.454 20 5 EEBDRO Cc1cc(NCC[N@H+](C)CCO)c(Br)cc1[N+](=O)[O-] ZINC000884825035 1202362956 /nfs/dbraw/zinc/36/29/56/1202362956.db2.gz BTQPFULEWZCBCH-UHFFFAOYSA-N 1 0 332.198 2.002 20 5 EEBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886145172 1202477126 /nfs/dbraw/zinc/47/71/26/1202477126.db2.gz QQMGOYATLHWZMS-OCCSQVGLSA-N 1 0 336.392 2.336 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2cn(CC3C[NH2+]C3)nn2)cs1 ZINC000887486102 1204314839 /nfs/dbraw/zinc/31/48/39/1204314839.db2.gz DJLDWADDXVCLOZ-UHFFFAOYSA-N 1 0 342.384 2.196 20 5 EEBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000829319905 1204959423 /nfs/dbraw/zinc/95/94/23/1204959423.db2.gz ITSKNEVMMPQFRI-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000010138585 1205710883 /nfs/dbraw/zinc/71/08/83/1205710883.db2.gz MWSZDRJCSONHIA-HNNXBMFYSA-N 1 0 342.399 2.080 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)CSC)c([N+](=O)[O-])c1 ZINC000934676781 1208006508 /nfs/dbraw/zinc/00/65/08/1208006508.db2.gz WSHZDLBEDTXBPD-UHFFFAOYSA-N 1 0 327.406 2.273 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778275513 1208051732 /nfs/dbraw/zinc/05/17/32/1208051732.db2.gz KAJAKIYVFFQLSS-VIFPVBQESA-N 1 0 337.405 2.060 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCn4ccnc4C3)CC2)cc1 ZINC000779061719 1208485878 /nfs/dbraw/zinc/48/58/78/1208485878.db2.gz MPMXUCOYWGRECP-OAHLLOKOSA-N 1 0 341.415 2.365 20 5 EEBDRO CC[N@H+](CC(C)C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000193396093 1210827233 /nfs/dbraw/zinc/82/72/33/1210827233.db2.gz KBLUUYVGEFSIBT-QGZVFWFLSA-N 1 0 348.403 2.297 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779862912 1211606276 /nfs/dbraw/zinc/60/62/76/1211606276.db2.gz IQYTZOJTAIMKMY-MRXNPFEDSA-N 1 0 329.404 2.264 20 5 EEBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000245908310 1211997314 /nfs/dbraw/zinc/99/73/14/1211997314.db2.gz NQRUGDVJMUWEGQ-DGCLKSJQSA-N 1 0 334.420 2.336 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1F ZINC000827708349 1248662630 /nfs/dbraw/zinc/66/26/30/1248662630.db2.gz YDOSBMSHASTPSV-SNVBAGLBSA-N 1 0 327.331 2.205 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020105910 1229486179 /nfs/dbraw/zinc/48/61/79/1229486179.db2.gz SGBSUUPGCBSGKT-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001040700201 1231340484 /nfs/dbraw/zinc/34/04/84/1231340484.db2.gz KRPVVITZHPBHEW-HUUCEWRRSA-N 1 0 349.456 2.228 20 5 EEBDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000903376576 1240343864 /nfs/dbraw/zinc/34/38/64/1240343864.db2.gz FRLLISSPOUXEPC-CYBMUJFWSA-N 1 0 336.388 2.294 20 5 EEBDRO C[NH+]1CCC(C(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001057341114 1243365639 /nfs/dbraw/zinc/36/56/39/1243365639.db2.gz WZWOVMROVCSFNZ-UHFFFAOYSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC001097096750 1243695926 /nfs/dbraw/zinc/69/59/26/1243695926.db2.gz UFZZHCQIWAACFL-HDJSIYSDSA-N 1 0 346.431 2.304 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001097205502 1243821945 /nfs/dbraw/zinc/82/19/45/1243821945.db2.gz GQUANASRMMKWRW-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCN(c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC001101350507 1245698916 /nfs/dbraw/zinc/69/89/16/1245698916.db2.gz QFKLHIQTCIJHKI-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1cccc([N+](=O)[O-])c1 ZINC000851896721 1291907418 /nfs/dbraw/zinc/90/74/18/1291907418.db2.gz LYMNSJFIDHBUFA-VIFPVBQESA-N 1 0 340.181 2.300 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000853232263 1292334707 /nfs/dbraw/zinc/33/47/07/1292334707.db2.gz XORQIIIULJKITB-NSHDSACASA-N 1 0 332.360 2.200 20 5 EEBDRO CC[C@H](C)C[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111254848 1292361454 /nfs/dbraw/zinc/36/14/54/1292361454.db2.gz CWWGSCHZCDRMQC-HNNXBMFYSA-N 1 0 348.447 2.221 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500177 1292403236 /nfs/dbraw/zinc/40/32/36/1292403236.db2.gz NYXNBQKFQRGIHX-AWEZNQCLSA-N 1 0 344.419 2.227 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC(CO)([NH2+]CC3CC3)CC2)c(F)c1 ZINC000853677236 1292436574 /nfs/dbraw/zinc/43/65/74/1292436574.db2.gz MLRYMCUYURRHCF-UHFFFAOYSA-N 1 0 341.358 2.204 20 5 EEBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000855810567 1293336320 /nfs/dbraw/zinc/33/63/20/1293336320.db2.gz BTHXHLMDWYRWKY-ZDUSSCGKSA-N 1 0 332.404 2.314 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000858563530 1294154570 /nfs/dbraw/zinc/15/45/70/1294154570.db2.gz YDSHQXAZQXEEAO-IWIIMEHWSA-N 1 0 326.194 2.354 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1ccn2c[nH+]cc2c1 ZINC001102050249 1300202396 /nfs/dbraw/zinc/20/23/96/1300202396.db2.gz DGWUKCJCGJDELR-UHFFFAOYSA-N 1 0 339.355 2.427 20 5 EEBDRO O=[N+]([O-])c1ccc(CO[C@H]2COCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001224115943 1300427995 /nfs/dbraw/zinc/42/79/95/1300427995.db2.gz WWVLWOZDOGSKSL-QGZVFWFLSA-N 1 0 343.383 2.407 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](COCCC[N+](C)(C)C)O2 ZINC001224618048 1300670459 /nfs/dbraw/zinc/67/04/59/1300670459.db2.gz BVSFRSFYMZCTNX-HNNXBMFYSA-N 1 0 343.488 2.268 20 5 EEBDRO CCOCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226236193 1301316530 /nfs/dbraw/zinc/31/65/30/1301316530.db2.gz LDZGFOGJJDPPJV-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO CC(C)(C)C(=O)C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226632701 1301486739 /nfs/dbraw/zinc/48/67/39/1301486739.db2.gz FTQDROPNTYCLIH-UHFFFAOYSA-N 1 0 347.415 2.291 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229058827 1302593785 /nfs/dbraw/zinc/59/37/85/1302593785.db2.gz FZQCLNLLMQKICP-ATCWAGBWSA-N 1 0 334.372 2.491 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780768308 1303699687 /nfs/dbraw/zinc/69/96/87/1303699687.db2.gz ROWHRPPOULCOLH-RHSMWYFYSA-N 1 0 343.431 2.492 20 5 EEBDRO CC(C)(C)[NH2+]CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001116137652 1305858542 /nfs/dbraw/zinc/85/85/42/1305858542.db2.gz PYMHKXQRIFVNBS-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001116583923 1305902342 /nfs/dbraw/zinc/90/23/42/1305902342.db2.gz YEDDUNQJAVDFJH-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001120786070 1309749680 /nfs/dbraw/zinc/74/96/80/1309749680.db2.gz BMDPVQUSQQUTIJ-UHFFFAOYSA-N 1 0 332.448 2.367 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001247794513 1310724611 /nfs/dbraw/zinc/72/46/11/1310724611.db2.gz GFSKOUOXDOIZFP-RNFRBKRXSA-N 1 0 347.228 2.044 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC(CO)C1 ZINC001160530989 1320187648 /nfs/dbraw/zinc/18/76/48/1320187648.db2.gz DIAGZJOGLASVGN-FQEVSTJZSA-N 1 0 334.419 2.314 20 5 EEBDRO Cc1nc(Cl)nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160735047 1320252942 /nfs/dbraw/zinc/25/29/42/1320252942.db2.gz BWTKMBNIPSESEH-BQBZGAKWSA-N 1 0 339.705 2.299 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000839706632 1315235341 /nfs/dbraw/zinc/23/53/41/1315235341.db2.gz YMRPZYWEAZFERT-XWTMOSNGSA-N 1 0 343.427 2.165 20 5 EEBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842476607 1315712802 /nfs/dbraw/zinc/71/28/02/1315712802.db2.gz BAYZCJNLGFHLHM-JTQLQIEISA-N 1 0 328.800 2.117 20 5 EEBDRO C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843191305 1315863729 /nfs/dbraw/zinc/86/37/29/1315863729.db2.gz CZDUUAGBRAYYMQ-NWDGAFQWSA-N 1 0 331.376 2.142 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843354232 1315898077 /nfs/dbraw/zinc/89/80/77/1315898077.db2.gz WBIHENVXXNDPLC-GBIKHYSHSA-N 1 0 340.811 2.244 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843452051 1315917683 /nfs/dbraw/zinc/91/76/83/1315917683.db2.gz KQKUTDSQFSEJBX-STQMWFEESA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843452050 1315917788 /nfs/dbraw/zinc/91/77/88/1315917788.db2.gz KQKUTDSQFSEJBX-QWHCGFSZSA-N 1 0 332.404 2.004 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001150164572 1316187034 /nfs/dbraw/zinc/18/70/34/1316187034.db2.gz ZAGAPQMBMONHQR-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001154585033 1317218374 /nfs/dbraw/zinc/21/83/74/1317218374.db2.gz LERBXZCLRHHZKO-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001155224939 1317509354 /nfs/dbraw/zinc/50/93/54/1317509354.db2.gz LSVZELRCHDOSKS-LBPRGKRZSA-N 1 0 344.799 2.186 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155560004 1317652011 /nfs/dbraw/zinc/65/20/11/1317652011.db2.gz UYAZXAKMEAYGML-NSHDSACASA-N 1 0 334.357 2.094 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155582844 1317659982 /nfs/dbraw/zinc/65/99/82/1317659982.db2.gz BCADAXRWBGAIPT-HDBBIHSSSA-N 1 0 332.738 2.280 20 5 EEBDRO Cc1cc(Cl)nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155616219 1317675289 /nfs/dbraw/zinc/67/52/89/1317675289.db2.gz CCIPTYSKOIBMSV-HZMBPMFUSA-N 1 0 326.784 2.275 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155620581 1317676970 /nfs/dbraw/zinc/67/69/70/1317676970.db2.gz LUOXRHKLFHDCQL-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c2c1 ZINC001155826945 1317752284 /nfs/dbraw/zinc/75/22/84/1317752284.db2.gz WAARXSRFNAOVTL-DOTOQJQBSA-N 1 0 343.387 2.251 20 5 EEBDRO CN1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001156177048 1317907790 /nfs/dbraw/zinc/90/77/90/1317907790.db2.gz YWEOXLSIHBKWCU-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001254543184 1318116182 /nfs/dbraw/zinc/11/61/82/1318116182.db2.gz CIFPSYPYUKZMAU-GFCCVEGCSA-N 1 0 326.418 2.083 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(Cc3ccncc3)C1)C2 ZINC001254585576 1318133056 /nfs/dbraw/zinc/13/30/56/1318133056.db2.gz MIBCQMAXRYWIOW-ZWKOTPCHSA-N 1 0 338.411 2.321 20 5 EEBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586628 1318134818 /nfs/dbraw/zinc/13/48/18/1318134818.db2.gz RAGIDJQXBHIYPA-HUUCEWRRSA-N 1 0 331.416 2.299 20 5 EEBDRO CN(C)C(=O)[C@H]1CC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254593727 1318136661 /nfs/dbraw/zinc/13/66/61/1318136661.db2.gz AXWBTRXUXDSJGZ-IAGOWNOFSA-N 1 0 343.427 2.252 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157450082 1318647875 /nfs/dbraw/zinc/64/78/75/1318647875.db2.gz GHKPZOFMNSZNHB-UHNVWZDZSA-N 1 0 343.668 2.169 20 5 EEBDRO Cc1cnccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157616451 1318750728 /nfs/dbraw/zinc/75/07/28/1318750728.db2.gz SXVJUDCCTLFYOH-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO [NH3+]C[C@]1(F)CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001157813381 1318879183 /nfs/dbraw/zinc/87/91/83/1318879183.db2.gz RZYVHUOSVNCJOZ-CYBMUJFWSA-N 1 0 325.731 2.069 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1 ZINC001158260556 1319121089 /nfs/dbraw/zinc/12/10/89/1319121089.db2.gz FHSOFDSIKCDEAP-CQSZACIVSA-N 1 0 341.415 2.145 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3nc(Cl)c(Cl)cc3[N+](=O)[O-])c2c1 ZINC001159026600 1319565032 /nfs/dbraw/zinc/56/50/32/1319565032.db2.gz LLWGYGCIHWYIRA-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO COCCC(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159069175 1319592255 /nfs/dbraw/zinc/59/22/55/1319592255.db2.gz QXIUTHPMVPHBRH-UHFFFAOYSA-N 1 0 347.415 2.270 20 5 EEBDRO CCOC(=O)C1=C(N=c2[nH]c3ccccc3cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453152 1319812771 /nfs/dbraw/zinc/81/27/71/1319812771.db2.gz RWNJOHQNKWLTHK-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160664747 1320226278 /nfs/dbraw/zinc/22/62/78/1320226278.db2.gz HAVOTNYXCVJNDM-CYBMUJFWSA-N 1 0 330.388 2.138 20 5 EEBDRO CCOc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160738054 1320254301 /nfs/dbraw/zinc/25/43/01/1320254301.db2.gz IXVFNWBLOSFEFW-RKDXNWHRSA-N 1 0 334.298 2.341 20 5 EEBDRO Cc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC001161244341 1320431790 /nfs/dbraw/zinc/43/17/90/1320431790.db2.gz DRGWFFRPMQUEHP-UHFFFAOYSA-N 1 0 342.403 2.412 20 5 EEBDRO CCCc1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161672631 1320582738 /nfs/dbraw/zinc/58/27/38/1320582738.db2.gz YBOSGJKCSCLNGT-UHFFFAOYSA-N 1 0 345.403 2.180 20 5 EEBDRO C[NH+]1CCN(CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161700668 1320592984 /nfs/dbraw/zinc/59/29/84/1320592984.db2.gz OVVFKYGYALYXOL-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO Nc1cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC001161988122 1320709462 /nfs/dbraw/zinc/70/94/62/1320709462.db2.gz BYVWFEGFKHTLAW-UHFFFAOYSA-N 1 0 345.378 2.252 20 5 EEBDRO COC(=O)c1csc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)n1 ZINC001162489228 1320873345 /nfs/dbraw/zinc/87/33/45/1320873345.db2.gz XCIXTXSTZFSLBO-UHFFFAOYSA-N 1 0 334.357 2.053 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162963426 1320998372 /nfs/dbraw/zinc/99/83/72/1320998372.db2.gz SCSKZRANVRIJJI-LBPRGKRZSA-N 1 0 345.403 2.432 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(C(F)(F)F)c1 ZINC001163101280 1321036125 /nfs/dbraw/zinc/03/61/25/1321036125.db2.gz LXRWDKUUIAOYAG-ZDSQKVDBSA-N 1 0 331.294 2.260 20 5 EEBDRO Cc1c(C)c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001163133215 1321047360 /nfs/dbraw/zinc/04/73/60/1321047360.db2.gz DOTQSNGAWILQBO-UHFFFAOYSA-N 1 0 329.404 2.153 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163281394 1321086879 /nfs/dbraw/zinc/08/68/79/1321086879.db2.gz WYOJHVDWEMHYKA-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO Cc1cncc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001163317968 1321095934 /nfs/dbraw/zinc/09/59/34/1321095934.db2.gz JOIOMPLEVKHYLC-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CC[N@@H+]1CCCN(c2ncnc3cc(OC)c([N+](=O)[O-])cc32)CC1 ZINC001163774123 1321214476 /nfs/dbraw/zinc/21/44/76/1321214476.db2.gz JCUWFCFSEIRMSU-UHFFFAOYSA-N 1 0 331.376 2.079 20 5 EEBDRO CN1CCC(CNc2c(Cl)nccc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164210782 1321319014 /nfs/dbraw/zinc/31/90/14/1321319014.db2.gz IRYZIVHXZCCFHA-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO O=C(CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)N1CCc2ccccc21 ZINC001164593596 1321427238 /nfs/dbraw/zinc/42/72/38/1321427238.db2.gz LDXGHUWVZUWLJP-UHFFFAOYSA-N 1 0 338.367 2.199 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164603719 1321431585 /nfs/dbraw/zinc/43/15/85/1321431585.db2.gz QHSZAPVXCHOUOL-LBPRGKRZSA-N 1 0 333.779 2.059 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)nc21 ZINC001164611121 1321435242 /nfs/dbraw/zinc/43/52/42/1321435242.db2.gz AKPOEDCIYKWYCR-AWEZNQCLSA-N 1 0 337.383 2.492 20 5 EEBDRO COc1cc2ncnc(N3CCC[C@@H]3C[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001165073183 1321450357 /nfs/dbraw/zinc/45/03/57/1321450357.db2.gz SFJDPVQEJKJQQL-LLVKDONJSA-N 1 0 331.376 2.077 20 5 EEBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001165109297 1321456835 /nfs/dbraw/zinc/45/68/35/1321456835.db2.gz SQSDHXORLYZQGO-HNNXBMFYSA-N 1 0 334.420 2.378 20 5 EEBDRO CN(C)/C=C/c1cc(N2CC[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165243496 1321481666 /nfs/dbraw/zinc/48/16/66/1321481666.db2.gz NZJWGLGYDKEOOZ-IOMDMTNGSA-N 1 0 331.420 2.102 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165245966 1321482981 /nfs/dbraw/zinc/48/29/81/1321482981.db2.gz DWYFBOSTHNCIBM-UHFFFAOYSA-N 1 0 325.800 2.459 20 5 EEBDRO Cc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001165268091 1321487653 /nfs/dbraw/zinc/48/76/53/1321487653.db2.gz PQJSGUKXJKTKPR-NSHDSACASA-N 1 0 345.325 2.204 20 5 EEBDRO CC(C)(C)N(c1ncc([N+](=O)[O-])cc1N)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165669253 1321561759 /nfs/dbraw/zinc/56/17/59/1321561759.db2.gz IOJYXWMWXXNIDX-ZDUSSCGKSA-N 1 0 349.435 2.088 20 5 EEBDRO CCc1ncoc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001166283450 1321692547 /nfs/dbraw/zinc/69/25/47/1321692547.db2.gz SDGJSEBBNLJNHK-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001166700558 1321769132 /nfs/dbraw/zinc/76/91/32/1321769132.db2.gz JPZUQZZHWZRHMG-CYBMUJFWSA-N 1 0 336.355 2.233 20 5 EEBDRO [NH3+]CCCNCc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001204612148 1322195574 /nfs/dbraw/zinc/19/55/74/1322195574.db2.gz KRVMIHQXTWZECL-UHFFFAOYSA-N 1 0 334.383 2.271 20 5 EEBDRO O=[N+]([O-])c1ccccc1Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001206164442 1323409681 /nfs/dbraw/zinc/40/96/81/1323409681.db2.gz KKRCJMPIGIDRIW-UHFFFAOYSA-N 1 0 342.399 2.453 20 5 EEBDRO O=[N+]([O-])c1cccc(OCc2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320328758 1332862896 /nfs/dbraw/zinc/86/28/96/1332862896.db2.gz QUAVBAKXNZMANC-CQSZACIVSA-N 1 0 330.344 2.366 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001321386122 1333091251 /nfs/dbraw/zinc/09/12/51/1333091251.db2.gz JEFFMLUXRDCBAN-TZMCWYRMSA-N 1 0 349.387 2.163 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001321889811 1333174639 /nfs/dbraw/zinc/17/46/39/1333174639.db2.gz DSJWHNLRBYXABC-UHFFFAOYSA-N 1 0 334.420 2.217 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH+](CCO)CCO)o1 ZINC001331691038 1335058853 /nfs/dbraw/zinc/05/88/53/1335058853.db2.gz KTLSODVTVCZJMI-UHFFFAOYSA-N 1 0 340.763 2.295 20 5 EEBDRO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001332067669 1335719148 /nfs/dbraw/zinc/71/91/48/1335719148.db2.gz CSUZFBNNGZGLJU-NSHDSACASA-N 1 0 340.177 2.021 20 5 EEBDRO CCOc1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001335316887 1336362674 /nfs/dbraw/zinc/36/26/74/1336362674.db2.gz FFUOWQKKFYBYKE-MRXNPFEDSA-N 1 0 331.372 2.254 20 5 EEBDRO CC(C)(C)N1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336000396 1336463473 /nfs/dbraw/zinc/46/34/73/1336463473.db2.gz CHKLMKOARPOVIX-ZDUSSCGKSA-N 1 0 334.420 2.386 20 5 EEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001351162647 1337791032 /nfs/dbraw/zinc/79/10/32/1337791032.db2.gz JGVYUEBSRDMBTD-BMIGLBTASA-N 1 0 341.770 2.270 20 5 EEBDRO Cc1ccc(N(C)CCNC(=O)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001100144545 1338066082 /nfs/dbraw/zinc/06/60/82/1338066082.db2.gz LUWKFTPSBPNCIQ-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC001357204876 1338971326 /nfs/dbraw/zinc/97/13/26/1338971326.db2.gz QLCBMENWKHVXOE-CKEIUWERSA-N 1 0 347.415 2.388 20 5 EEBDRO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576017756 1343947204 /nfs/dbraw/zinc/94/72/04/1343947204.db2.gz XFTMTZMIJMRXNH-DEYYWGMASA-N 1 0 346.431 2.469 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[NH2+]CC(C)(C)C2)c1[N+](=O)[O-] ZINC001578061028 1344229791 /nfs/dbraw/zinc/22/97/91/1344229791.db2.gz LAFMCOWGILRABV-LLVKDONJSA-N 1 0 336.392 2.357 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2C[C@@H]([NH3+])C23CCC3)c([N+](=O)[O-])c1=O ZINC001579947068 1344437718 /nfs/dbraw/zinc/43/77/18/1344437718.db2.gz GYVIHOQLAAURMY-OLZOCXBDSA-N 1 0 328.372 2.129 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH2+][C@@H](CCO)C1 ZINC001580872425 1344567419 /nfs/dbraw/zinc/56/74/19/1344567419.db2.gz GUAYMQJRIQSFGN-NSHDSACASA-N 1 0 334.203 2.058 20 5 EEBDRO CC(C)(CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589289043 1348980028 /nfs/dbraw/zinc/98/00/28/1348980028.db2.gz WZXUPMHXMHWBKU-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001607083123 1351411055 /nfs/dbraw/zinc/41/10/55/1351411055.db2.gz XLUDMCQZAJWEJH-CYBMUJFWSA-N 1 0 343.391 2.204 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850433626 1367142883 /nfs/dbraw/zinc/14/28/83/1367142883.db2.gz OXNMDFVLIIVVIM-NWANDNLSSA-N 1 0 335.404 2.117 20 5 EEBDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000706018441 1367201586 /nfs/dbraw/zinc/20/15/86/1367201586.db2.gz QXXDQLNEMPITCC-SUMWQHHRSA-N 1 0 343.383 2.144 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116039081 1371718618 /nfs/dbraw/zinc/71/86/18/1371718618.db2.gz KQMGLMSIAPFOOR-KGLIPLIRSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1F ZINC000832503020 1372448545 /nfs/dbraw/zinc/44/85/45/1372448545.db2.gz SZLYTUGZGZWLJU-NXEZZACHSA-N 1 0 327.331 2.394 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839536227 1372909087 /nfs/dbraw/zinc/90/90/87/1372909087.db2.gz LRSALAOXGUTPQY-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@H]1[NH2+]CCn2c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC001353395023 1373000437 /nfs/dbraw/zinc/00/04/37/1373000437.db2.gz WWMFEFVWWSDUHD-LLVKDONJSA-N 1 0 326.356 2.217 20 5 EEBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccc(F)cc1[N+](=O)[O-] ZINC001100607062 1410680468 /nfs/dbraw/zinc/68/04/68/1410680468.db2.gz JOPSOQPFWBLCIG-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666612 719401282 /nfs/dbraw/zinc/40/12/82/719401282.db2.gz LKRCLAGLPQIFPM-KBPBESRZSA-N 1 0 348.790 2.316 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167069627 757126864 /nfs/dbraw/zinc/12/68/64/757126864.db2.gz MOGANRXMCAPIKB-UHFFFAOYSA-N 1 0 340.383 2.310 20 5 EEBDRO C[N@@H+]1CC[C@H](Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001167270389 757608771 /nfs/dbraw/zinc/60/87/71/757608771.db2.gz SDVFTMRHVDXMHY-LBPRGKRZSA-N 1 0 341.371 2.358 20 5 EEBDRO C[NH+]1CCC(NC(=S)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000920310150 770664153 /nfs/dbraw/zinc/66/41/53/770664153.db2.gz VIYKPDANAWLTES-UHFFFAOYSA-N 1 0 343.840 2.133 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237566966 773857230 /nfs/dbraw/zinc/85/72/30/773857230.db2.gz DRDJBHHDRZKKFL-BLLLJJGKSA-N 1 0 343.387 2.122 20 5 EEBDRO C[C@@H](CC(F)(F)C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211898135 783169602 /nfs/dbraw/zinc/16/96/02/783169602.db2.gz METDKEZSTQYERG-LURJTMIESA-N 1 0 331.254 2.267 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000846696871 790430994 /nfs/dbraw/zinc/43/09/94/790430994.db2.gz YMDGODYQIMBMFT-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893938183 780320584 /nfs/dbraw/zinc/32/05/84/780320584.db2.gz BXWFLHBCDIZMJF-RNCFNFMXSA-N 1 0 326.194 2.498 20 5 EEBDRO CC(C)c1nnsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135620187 784067166 /nfs/dbraw/zinc/06/71/66/784067166.db2.gz NGKBFODZGNKIGN-UHFFFAOYSA-N 1 0 349.416 2.089 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906749820 784122588 /nfs/dbraw/zinc/12/25/88/784122588.db2.gz NBCQTZQBAOYFAA-UHFFFAOYSA-N 1 0 328.800 2.244 20 5 EEBDRO C[NH+](C)CCn1nccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000908360670 785356089 /nfs/dbraw/zinc/35/60/89/785356089.db2.gz SJFKWKUFSFQLKL-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO CS[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819112471 785430262 /nfs/dbraw/zinc/43/02/62/785430262.db2.gz DXXRMOHAAKYBPF-AAEUAGOBSA-N 1 0 344.458 2.242 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000820552265 785968835 /nfs/dbraw/zinc/96/88/35/785968835.db2.gz MXFAIKCREFEROG-OIBJUYFYSA-N 1 0 344.774 2.134 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000909212848 786099045 /nfs/dbraw/zinc/09/90/45/786099045.db2.gz XPKOHEPBKWEQBI-NSHDSACASA-N 1 0 340.811 2.387 20 5 EEBDRO C[NH+]1CCC(CC(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107352051 786958061 /nfs/dbraw/zinc/95/80/61/786958061.db2.gz DHKIHMRHUWSAMT-PLNGDYQASA-N 1 0 346.431 2.411 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CO ZINC000129336665 787174610 /nfs/dbraw/zinc/17/46/10/787174610.db2.gz UZFFYYUXJAQDBJ-IAQYHMDHSA-N 1 0 339.367 2.155 20 5 EEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379648 788601085 /nfs/dbraw/zinc/60/10/85/788601085.db2.gz REHBZZNNXBOPNO-XJKSGUPXSA-N 1 0 337.420 2.255 20 5 EEBDRO [NH3+]CC[C@H]1CN(c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001168545522 789101467 /nfs/dbraw/zinc/10/14/67/789101467.db2.gz POCVNBOIAYUOII-JTQLQIEISA-N 1 0 334.763 2.466 20 5 EEBDRO CCOC(=O)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055897444 789266976 /nfs/dbraw/zinc/26/69/76/789266976.db2.gz LUNDWSJPWOMMNP-UHFFFAOYSA-N 1 0 337.376 2.138 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001093160003 794706108 /nfs/dbraw/zinc/70/61/08/794706108.db2.gz YNNZJAJLYDQLEY-UHFFFAOYSA-N 1 0 346.431 2.119 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)NCCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001094568824 796409774 /nfs/dbraw/zinc/40/97/74/796409774.db2.gz WGINMQSRNYOHQV-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CCc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001171548988 796636195 /nfs/dbraw/zinc/63/61/95/796636195.db2.gz QCUKWPJYFOYAMD-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)no1 ZINC001171781858 796743692 /nfs/dbraw/zinc/74/36/92/796743692.db2.gz SRSCRXUYWNCNQC-UHFFFAOYSA-N 1 0 338.751 2.146 20 5 EEBDRO COc1ncnc(OC)c1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218043 797298029 /nfs/dbraw/zinc/29/80/29/797298029.db2.gz ODMXATVFMZXTDN-LLVKDONJSA-N 1 0 332.360 2.123 20 5 EEBDRO CCc1cccc(NC(=O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000916570791 797655617 /nfs/dbraw/zinc/65/56/17/797655617.db2.gz VIYZSOXSHLFOSA-QGZVFWFLSA-N 1 0 343.383 2.419 20 5 EEBDRO O=C(NCCCCCC[NH2+]CCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449777 799458641 /nfs/dbraw/zinc/45/86/41/799458641.db2.gz GGLLGCSVCVRXHC-IAGOWNOFSA-N 1 0 333.432 2.161 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC001086011047 801923702 /nfs/dbraw/zinc/92/37/02/801923702.db2.gz HAOGPUIQQWZAPY-AKAXFMLLSA-N 1 0 347.415 2.006 20 5 EEBDRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168973978 803556879 /nfs/dbraw/zinc/55/68/79/803556879.db2.gz PUIGAGQMMIPXKC-OCCSQVGLSA-N 1 0 348.403 2.317 20 5 EEBDRO COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169009088 803570087 /nfs/dbraw/zinc/57/00/87/803570087.db2.gz VDLJGGFXCYRGSZ-HUUCEWRRSA-N 1 0 339.436 2.376 20 5 EEBDRO COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169009089 803570196 /nfs/dbraw/zinc/57/01/96/803570196.db2.gz VDLJGGFXCYRGSZ-LSDHHAIUSA-N 1 0 339.436 2.376 20 5 EEBDRO O=C(NC1CCCC1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990387 803573934 /nfs/dbraw/zinc/57/39/34/803573934.db2.gz CEYAJECLFIQJCC-CZUORRHYSA-N 1 0 338.452 2.138 20 5 EEBDRO Cn1nc(COCC2CC2)c2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023672 803589887 /nfs/dbraw/zinc/58/98/87/803589887.db2.gz PJSYMOSTMAEFOO-HUUCEWRRSA-N 1 0 348.447 2.150 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001169696209 803962186 /nfs/dbraw/zinc/96/21/86/803962186.db2.gz KRMFYZDUGUEGNC-CYBMUJFWSA-N 1 0 341.371 2.329 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000787241850 807050733 /nfs/dbraw/zinc/05/07/33/807050733.db2.gz HJKUWLLQQSGBBM-WCQYABFASA-N 1 0 332.360 2.094 20 5 EEBDRO Cn1cc(Cl)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131075686 812374285 /nfs/dbraw/zinc/37/42/85/812374285.db2.gz SOANSXOXEZOJFM-UHFFFAOYSA-N 1 0 336.779 2.106 20 5 EEBDRO Cc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572779 813015815 /nfs/dbraw/zinc/01/58/15/813015815.db2.gz SBWKAQJCJPSCPN-SWLSCSKDSA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001131601017 813016979 /nfs/dbraw/zinc/01/69/79/813016979.db2.gz GGAIAKNJKLVQSG-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001522826951 1119513847 /nfs/dbraw/zinc/51/38/47/1119513847.db2.gz NSTGUUVFNLKIIV-VWYCJHECSA-N 1 0 325.796 2.388 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814060 234334317 /nfs/dbraw/zinc/33/43/17/234334317.db2.gz CDRGPSYXIOMNAK-DZGCQCFKSA-N 1 0 338.404 2.110 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183343117 235020106 /nfs/dbraw/zinc/02/01/06/235020106.db2.gz YTKQVBXEFZOXCY-LLVKDONJSA-N 1 0 334.376 2.375 20 5 EEBDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000067803678 202337716 /nfs/dbraw/zinc/33/77/16/202337716.db2.gz GVEXZHPBUMHKSP-INIZCTEOSA-N 1 0 332.356 2.435 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130200005 223132301 /nfs/dbraw/zinc/13/23/01/223132301.db2.gz QRMJMXPVCRZKAW-WDEREUQCSA-N 1 0 341.795 2.131 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)c2csc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000194823185 240731262 /nfs/dbraw/zinc/73/12/62/240731262.db2.gz GAWNGNUWZSZTIV-SNVBAGLBSA-N 1 0 334.401 2.352 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000424033697 240803132 /nfs/dbraw/zinc/80/31/32/240803132.db2.gz LVGAMOMSPUUWLH-QGZVFWFLSA-N 1 0 347.415 2.210 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000428441571 241586950 /nfs/dbraw/zinc/58/69/50/241586950.db2.gz WQDXWJYPZLMZRU-NSHDSACASA-N 1 0 332.385 2.152 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186316544 283948480 /nfs/dbraw/zinc/94/84/80/283948480.db2.gz VLAZOZFLMRTZGI-UHFFFAOYSA-N 1 0 329.278 2.263 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000227240424 242127580 /nfs/dbraw/zinc/12/75/80/242127580.db2.gz WUXSGYZDBLVELM-NSHDSACASA-N 1 0 343.225 2.015 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC000451542748 243150032 /nfs/dbraw/zinc/15/00/32/243150032.db2.gz ADBQANZBENUFCO-RDJZCZTQSA-N 1 0 330.388 2.032 20 5 EEBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000077686509 203396893 /nfs/dbraw/zinc/39/68/93/203396893.db2.gz QXRSZOXFDMPKKW-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106865694 204214835 /nfs/dbraw/zinc/21/48/35/204214835.db2.gz XZMCELJAGZYRJG-CZUORRHYSA-N 1 0 335.404 2.467 20 5 EEBDRO CN(CC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000237073443 204355916 /nfs/dbraw/zinc/35/59/16/204355916.db2.gz HJMVXBVQAIODIF-CQSZACIVSA-N 1 0 334.420 2.055 20 5 EEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129275044 205186864 /nfs/dbraw/zinc/18/68/64/205186864.db2.gz WSHSMRORQGGOPA-YPMHNXCESA-N 1 0 339.367 2.298 20 5 EEBDRO COCC[N@H+](C)CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000129813417 205212206 /nfs/dbraw/zinc/21/22/06/205212206.db2.gz DVVJKHYYXAFBSB-UHFFFAOYSA-N 1 0 347.213 2.133 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000155663264 206025951 /nfs/dbraw/zinc/02/59/51/206025951.db2.gz IJEJCSIFKATSFG-CQSZACIVSA-N 1 0 336.348 2.140 20 5 EEBDRO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457348 248309844 /nfs/dbraw/zinc/30/98/44/248309844.db2.gz PLGVXMAJHKWPQE-JSGCOSHPSA-N 1 0 336.417 2.223 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccs1 ZINC000175741214 207154868 /nfs/dbraw/zinc/15/48/68/207154868.db2.gz ZZFJQOJLMBHYEF-GFCCVEGCSA-N 1 0 334.401 2.271 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176260593 207207671 /nfs/dbraw/zinc/20/76/71/207207671.db2.gz XXWVUQRXVYJSRA-MRXNPFEDSA-N 1 0 343.431 2.388 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176927636 207275294 /nfs/dbraw/zinc/27/52/94/207275294.db2.gz WKZPRADHQQIMFN-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000176855502 207267754 /nfs/dbraw/zinc/26/77/54/207267754.db2.gz QIGFGJTVTPOCHP-LBPRGKRZSA-N 1 0 343.811 2.335 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062984523 285083799 /nfs/dbraw/zinc/08/37/99/285083799.db2.gz NKWGCAMUKUQDAC-LLVKDONJSA-N 1 0 341.209 2.427 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000366118408 285189230 /nfs/dbraw/zinc/18/92/30/285189230.db2.gz IGASJDSQDZBBOH-UHFFFAOYSA-N 1 0 328.372 2.313 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000195518844 256012769 /nfs/dbraw/zinc/01/27/69/256012769.db2.gz DRIHDLSIYWBISK-UHFFFAOYSA-N 1 0 331.376 2.179 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268126297 256115957 /nfs/dbraw/zinc/11/59/57/256115957.db2.gz AOWYQHVWVIAAAK-RISCZKNCSA-N 1 0 343.387 2.019 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150630 256119403 /nfs/dbraw/zinc/11/94/03/256119403.db2.gz MOXXLMDEMHVOKL-BMIGLBTASA-N 1 0 330.388 2.374 20 5 EEBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1 ZINC000270611446 256153249 /nfs/dbraw/zinc/15/32/49/256153249.db2.gz ZFVWJSYHMJDGSZ-OAHLLOKOSA-N 1 0 345.399 2.466 20 5 EEBDRO Cc1nccn1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000270658312 256158000 /nfs/dbraw/zinc/15/80/00/256158000.db2.gz QAYHQXJIMROWNG-UHFFFAOYSA-N 1 0 329.404 2.312 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000270800981 256173762 /nfs/dbraw/zinc/17/37/62/256173762.db2.gz NPJASKIURHYNNL-MOPGFXCFSA-N 1 0 339.395 2.375 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2cncc(F)c2)CC1 ZINC000270951442 256191415 /nfs/dbraw/zinc/19/14/15/256191415.db2.gz SUJDSDZYRGTGOU-UHFFFAOYSA-N 1 0 346.362 2.460 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067997 256204564 /nfs/dbraw/zinc/20/45/64/256204564.db2.gz DLFZGROERHLTTA-VXGBXAGGSA-N 1 0 342.417 2.079 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273220849 256277688 /nfs/dbraw/zinc/27/76/88/256277688.db2.gz KUAKQJURMOMMAA-LBPRGKRZSA-N 1 0 337.424 2.436 20 5 EEBDRO CN(C(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058121 256261331 /nfs/dbraw/zinc/26/13/31/256261331.db2.gz LWUKXFBZMCYNIA-IRXDYDNUSA-N 1 0 333.388 2.105 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076495 256263429 /nfs/dbraw/zinc/26/34/29/256263429.db2.gz POYUXDPMOQZGHV-IRXDYDNUSA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054647067 292139921 /nfs/dbraw/zinc/13/99/21/292139921.db2.gz RESJIHPKDMMFSL-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000061158532 292150770 /nfs/dbraw/zinc/15/07/70/292150770.db2.gz DBCXBNLKJYENSP-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO CCOC(=O)c1ccnc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000077927278 292190758 /nfs/dbraw/zinc/19/07/58/292190758.db2.gz BYHRETKTIRCNKT-UHFFFAOYSA-N 1 0 336.392 2.454 20 5 EEBDRO COc1ccc(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1O ZINC000080989332 292201639 /nfs/dbraw/zinc/20/16/39/292201639.db2.gz VKZGADWTSKBKTC-UHFFFAOYSA-N 1 0 345.355 2.040 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000089899059 292213827 /nfs/dbraw/zinc/21/38/27/292213827.db2.gz BNQQXJRSLUPWEL-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1SC ZINC000186790847 286248109 /nfs/dbraw/zinc/24/81/09/286248109.db2.gz LAHKVGCDZOJFSF-GXSJLCMTSA-N 1 0 339.417 2.053 20 5 EEBDRO CC1CC[NH+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000067795675 159013817 /nfs/dbraw/zinc/01/38/17/159013817.db2.gz CDMWNYYLHNMAAV-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000068217837 159017612 /nfs/dbraw/zinc/01/76/12/159017612.db2.gz UJXCGAXDWMARPG-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO Cc1c(OCC(=O)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000074392858 159063548 /nfs/dbraw/zinc/06/35/48/159063548.db2.gz UFSAYTRWKHAWBI-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO COc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000076798988 159091167 /nfs/dbraw/zinc/09/11/67/159091167.db2.gz KODKNXVWOCWUTG-UHFFFAOYSA-N 1 0 343.383 2.481 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000081332622 159150429 /nfs/dbraw/zinc/15/04/29/159150429.db2.gz FJWUBPKFADBXNL-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000107684375 159335113 /nfs/dbraw/zinc/33/51/13/159335113.db2.gz ZIGQWWSPBRVZMQ-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000245543954 160240625 /nfs/dbraw/zinc/24/06/25/160240625.db2.gz KYPHBBLWOPAELW-CZUORRHYSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N[C@H](C(C)=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342296015 161054386 /nfs/dbraw/zinc/05/43/86/161054386.db2.gz PSVGXPAMVKQMJA-WBVHZDCISA-N 1 0 335.404 2.365 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342761911 161088644 /nfs/dbraw/zinc/08/86/44/161088644.db2.gz UAORBGJDKMUZBZ-BYCMXARLSA-N 1 0 335.429 2.273 20 5 EEBDRO Cn1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000344347907 161218913 /nfs/dbraw/zinc/21/89/13/161218913.db2.gz PVMKCDXLWJGGIE-ZDUSSCGKSA-N 1 0 332.360 2.093 20 5 EEBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCC(C)CC1 ZINC000345833422 161335896 /nfs/dbraw/zinc/33/58/96/161335896.db2.gz MQKIHJWKYHWKNC-HNNXBMFYSA-N 1 0 336.436 2.420 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000346014168 161350075 /nfs/dbraw/zinc/35/00/75/161350075.db2.gz RLGXRDJLOHNQSO-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000346645054 161388421 /nfs/dbraw/zinc/38/84/21/161388421.db2.gz NTXZRTUGWDJIGP-GFCCVEGCSA-N 1 0 327.812 2.137 20 5 EEBDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351493429 161803875 /nfs/dbraw/zinc/80/38/75/161803875.db2.gz OERDOWFNYOMFHX-STQMWFEESA-N 1 0 337.424 2.027 20 5 EEBDRO CCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000352722761 162261455 /nfs/dbraw/zinc/26/14/55/162261455.db2.gz FUXDFHRXYAJGRI-UHFFFAOYSA-N 1 0 349.412 2.116 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000355321323 163144423 /nfs/dbraw/zinc/14/44/23/163144423.db2.gz POWOMUZNSCOICQ-UHFFFAOYSA-N 1 0 336.436 2.443 20 5 EEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356138306 163345704 /nfs/dbraw/zinc/34/57/04/163345704.db2.gz CMBCRIOHZPPRRW-UHFFFAOYSA-N 1 0 345.403 2.099 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359622768 164138865 /nfs/dbraw/zinc/13/88/65/164138865.db2.gz HYIVTLLSRODOPI-LBPRGKRZSA-N 1 0 335.404 2.483 20 5 EEBDRO CNc1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cccc1[N+](=O)[O-] ZINC000360951759 164406948 /nfs/dbraw/zinc/40/69/48/164406948.db2.gz SEYDYZLGTGNCEF-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO Cc1nccn1-c1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000368772716 166124619 /nfs/dbraw/zinc/12/46/19/166124619.db2.gz NRJPMGCXJMMYID-UHFFFAOYSA-N 1 0 343.368 2.475 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000369825994 166338255 /nfs/dbraw/zinc/33/82/55/166338255.db2.gz NWXQDMMRFQKROE-FUHWJXTLSA-N 1 0 344.415 2.107 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375739333 167182616 /nfs/dbraw/zinc/18/26/16/167182616.db2.gz ZZMPZPYXZVCWRR-LSDHHAIUSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375757877 167186766 /nfs/dbraw/zinc/18/67/66/167186766.db2.gz MUXNWYIYRVOCII-HOCLYGCPSA-N 1 0 346.431 2.400 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272670517 269006974 /nfs/dbraw/zinc/00/69/74/269006974.db2.gz SZJYTISOTHQRMD-RHSMWYFYSA-N 1 0 346.431 2.340 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000279285616 269267576 /nfs/dbraw/zinc/26/75/76/269267576.db2.gz XIBSFXNJQUXVCN-LLVKDONJSA-N 1 0 336.367 2.017 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])cc1O ZINC000189030336 274035949 /nfs/dbraw/zinc/03/59/49/274035949.db2.gz WOYAIZPSTBSBHO-HNNXBMFYSA-N 1 0 346.383 2.311 20 5 EEBDRO CCOC1CC(O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000278584881 274377483 /nfs/dbraw/zinc/37/74/83/274377483.db2.gz YLYVEYFFNDXIQH-UPTPFMHGSA-N 1 0 334.416 2.436 20 5 EEBDRO Cc1cc(N[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322414764 274719871 /nfs/dbraw/zinc/71/98/71/274719871.db2.gz XEUDUNIFNURKDK-NSHDSACASA-N 1 0 335.385 2.441 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000288398514 275054269 /nfs/dbraw/zinc/05/42/69/275054269.db2.gz MKPPETXRSHEMTN-NSHDSACASA-N 1 0 347.412 2.133 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487791 275063337 /nfs/dbraw/zinc/06/33/37/275063337.db2.gz RIKNWAUSBQBDLH-ZFWWWQNUSA-N 1 0 346.431 2.360 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000289718203 275142424 /nfs/dbraw/zinc/14/24/24/275142424.db2.gz IDTIQKPTOVLWAE-UHFFFAOYSA-N 1 0 336.392 2.001 20 5 EEBDRO Cc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000290726870 275233591 /nfs/dbraw/zinc/23/35/91/275233591.db2.gz ZRXSGMGUDPQECG-CQSZACIVSA-N 1 0 343.387 2.112 20 5 EEBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCC(C)CC1 ZINC000180528397 275670736 /nfs/dbraw/zinc/67/07/36/275670736.db2.gz FMDNUYHMQPRDNZ-OAHLLOKOSA-N 1 0 349.435 2.058 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000347358684 278344022 /nfs/dbraw/zinc/34/40/22/278344022.db2.gz LIXKJXNQKAIJRB-ZFWWWQNUSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@H]1C[NH+](CC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263768471 278430742 /nfs/dbraw/zinc/43/07/42/278430742.db2.gz RXNRJJYXUUHNMT-KBPBESRZSA-N 1 0 334.420 2.315 20 5 EEBDRO Cc1cccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000364602280 281229198 /nfs/dbraw/zinc/22/91/98/281229198.db2.gz AQOBIIQVGNWCDR-JKSUJKDBSA-N 1 0 332.448 2.365 20 5 EEBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000423943585 281878902 /nfs/dbraw/zinc/87/89/02/281878902.db2.gz CWPYQBNHRCUTQV-INIZCTEOSA-N 1 0 332.404 2.004 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+](C)C ZINC000283859219 293002780 /nfs/dbraw/zinc/00/27/80/293002780.db2.gz HJZPAXKYLMLGHN-JTQLQIEISA-N 1 0 326.372 2.022 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293429502 293206396 /nfs/dbraw/zinc/20/63/96/293206396.db2.gz NTRXLVRSUNRBAW-SCRDCRAPSA-N 1 0 334.420 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC2(N3CCOCC3)CC2)c1 ZINC000296874767 294090611 /nfs/dbraw/zinc/09/06/11/294090611.db2.gz WKQHNFHVJNQPQO-UHFFFAOYSA-N 1 0 328.372 2.420 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000297611976 294296265 /nfs/dbraw/zinc/29/62/65/294296265.db2.gz AICWJUKZHYCRNI-YHWZYXNKSA-N 1 0 348.359 2.166 20 5 EEBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299454415 294746632 /nfs/dbraw/zinc/74/66/32/294746632.db2.gz UUZSKTLPWHCASJ-VXGBXAGGSA-N 1 0 337.424 2.114 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000320588550 311595468 /nfs/dbraw/zinc/59/54/68/311595468.db2.gz VJGWXOWHWBRFHT-JGVFFNPUSA-N 1 0 330.182 2.213 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415658708 313163284 /nfs/dbraw/zinc/16/32/84/313163284.db2.gz NVMMAWNBNJZGID-SECBINFHSA-N 1 0 332.307 2.098 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418397722 313803472 /nfs/dbraw/zinc/80/34/72/313803472.db2.gz JPDWKBAWAOTVGR-GDBMZVCRSA-N 1 0 332.404 2.221 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000420910424 313994747 /nfs/dbraw/zinc/99/47/47/313994747.db2.gz WTZZZWQWJXKIFA-UHFFFAOYSA-N 1 0 349.435 2.179 20 5 EEBDRO C[NH2+]C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435375675 314898088 /nfs/dbraw/zinc/89/80/88/314898088.db2.gz NKTSQOJYJWNOAH-UHFFFAOYSA-N 1 0 329.404 2.179 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493309614 315933556 /nfs/dbraw/zinc/93/35/56/315933556.db2.gz YDIMKFIBVJWFIB-QBHZWYEDSA-N 1 0 333.363 2.379 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000518168271 316710222 /nfs/dbraw/zinc/71/02/22/316710222.db2.gz BSVJQAYGIHULRL-QGZVFWFLSA-N 1 0 348.374 2.444 20 5 EEBDRO CCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525271331 317052575 /nfs/dbraw/zinc/05/25/75/317052575.db2.gz ZPHKZOUPWLHTHD-KRWDZBQOSA-N 1 0 332.404 2.373 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000537324731 318015975 /nfs/dbraw/zinc/01/59/75/318015975.db2.gz FEVHQPHYOCTGJV-CQSZACIVSA-N 1 0 335.404 2.130 20 5 EEBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C1)CCCC2 ZINC000548661617 318402348 /nfs/dbraw/zinc/40/23/48/318402348.db2.gz OWRQOROOBRXZSP-LBPRGKRZSA-N 1 0 343.387 2.394 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549697138 318439179 /nfs/dbraw/zinc/43/91/79/318439179.db2.gz YHPVGCIXIAIDFU-HNNXBMFYSA-N 1 0 332.356 2.133 20 5 EEBDRO C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000566023707 319236643 /nfs/dbraw/zinc/23/66/43/319236643.db2.gz NVHOLFUEXBBTRD-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000566573760 319302359 /nfs/dbraw/zinc/30/23/59/319302359.db2.gz CTNGPVAIIJFNAM-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000567845173 319425439 /nfs/dbraw/zinc/42/54/39/319425439.db2.gz MYFPLLNBYDNZFB-JSGCOSHPSA-N 1 0 339.417 2.015 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000571523287 319763215 /nfs/dbraw/zinc/76/32/15/319763215.db2.gz IOEZMIZKDMBSKO-OAHLLOKOSA-N 1 0 346.431 2.151 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574513800 320031963 /nfs/dbraw/zinc/03/19/63/320031963.db2.gz CWKLVTJKMYIZTL-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000576398792 320168192 /nfs/dbraw/zinc/16/81/92/320168192.db2.gz ZJYHZYNIAZMVQN-LBPRGKRZSA-N 1 0 332.360 2.286 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000576574765 320183971 /nfs/dbraw/zinc/18/39/71/320183971.db2.gz DZQCFFARXYAEPW-IRXDYDNUSA-N 1 0 332.404 2.182 20 5 EEBDRO COc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000577274637 320246401 /nfs/dbraw/zinc/24/64/01/320246401.db2.gz BQLXCQSYRMGFRJ-LSDHHAIUSA-N 1 0 341.367 2.089 20 5 EEBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860329 320280553 /nfs/dbraw/zinc/28/05/53/320280553.db2.gz XKHHMAQEKBESLA-FZMZJTMJSA-N 1 0 349.387 2.160 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCn1ccnc1 ZINC000181086804 323338122 /nfs/dbraw/zinc/33/81/22/323338122.db2.gz ZDMVKRSTBWUPJK-UHFFFAOYSA-N 1 0 331.376 2.060 20 5 EEBDRO COc1ccc(CSCC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582123167 324385617 /nfs/dbraw/zinc/38/56/17/324385617.db2.gz LCXSPYJZWDJEAP-GHMZBOCLSA-N 1 0 341.433 2.079 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000491352091 448002469 /nfs/dbraw/zinc/00/24/69/448002469.db2.gz NBMJEJVVEXRKSO-YVMONPNESA-N 1 0 329.360 2.005 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120573218 463014134 /nfs/dbraw/zinc/01/41/34/463014134.db2.gz CZVHBHGRMHNPEG-AWEZNQCLSA-N 1 0 334.420 2.311 20 5 EEBDRO Cc1c(Br)c(N2C[C@@H](C[NH3+])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000165842231 463649015 /nfs/dbraw/zinc/64/90/15/463649015.db2.gz QDPUGEBSJAJHCO-IONNQARKSA-N 1 0 329.198 2.234 20 5 EEBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000336878571 465073656 /nfs/dbraw/zinc/07/36/56/465073656.db2.gz GLKUJGCWWFTXNB-INIZCTEOSA-N 1 0 349.412 2.353 20 5 EEBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688326 465169888 /nfs/dbraw/zinc/16/98/88/465169888.db2.gz VAPYDIMUHJFIKU-JSGCOSHPSA-N 1 0 347.371 2.089 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000590566495 468274312 /nfs/dbraw/zinc/27/43/12/468274312.db2.gz KODPOZQSZFSVDK-CZUORRHYSA-N 1 0 334.420 2.338 20 5 EEBDRO CCOCC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521228124 468297697 /nfs/dbraw/zinc/29/76/97/468297697.db2.gz LGMTXKJGHYWWIS-ZDUSSCGKSA-N 1 0 336.310 2.491 20 5 EEBDRO CN1CCC[N@H+](CCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000590687823 468306372 /nfs/dbraw/zinc/30/63/72/468306372.db2.gz BNXADOZPJRLKAU-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000045744244 462611890 /nfs/dbraw/zinc/61/18/90/462611890.db2.gz DPNOXAXHJHFALY-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075740879 462755904 /nfs/dbraw/zinc/75/59/04/462755904.db2.gz LSAHGBIACVIPTR-DLBZAZTESA-N 1 0 332.404 2.481 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000130571097 462764965 /nfs/dbraw/zinc/76/49/65/462764965.db2.gz VZJMAFHWAIKTFE-SECBINFHSA-N 1 0 342.193 2.229 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000154434904 462768527 /nfs/dbraw/zinc/76/85/27/462768527.db2.gz RXFKMBBHLWLPPQ-INIZCTEOSA-N 1 0 332.356 2.474 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000047405720 462777275 /nfs/dbraw/zinc/77/72/75/462777275.db2.gz SGJXZDRNJDCSBW-ZDUSSCGKSA-N 1 0 333.388 2.343 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC1 ZINC000091481460 462883046 /nfs/dbraw/zinc/88/30/46/462883046.db2.gz FJAYHRZYBXRLSB-INIZCTEOSA-N 1 0 332.404 2.239 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000067180410 462976323 /nfs/dbraw/zinc/97/63/23/462976323.db2.gz BLXKYFFKQHMBSO-UHFFFAOYSA-N 1 0 345.403 2.350 20 5 EEBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077429357 462983628 /nfs/dbraw/zinc/98/36/28/462983628.db2.gz VQKZIMHFFYZXLH-QWHCGFSZSA-N 1 0 332.404 2.492 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000017794023 463001122 /nfs/dbraw/zinc/00/11/22/463001122.db2.gz XAXSUQAPOSLOFZ-QGZVFWFLSA-N 1 0 327.384 2.498 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017367 463001405 /nfs/dbraw/zinc/00/14/05/463001405.db2.gz ABLFFFRBXDIFPH-KRWDZBQOSA-N 1 0 333.432 2.447 20 5 EEBDRO CC[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000134666569 463069035 /nfs/dbraw/zinc/06/90/35/463069035.db2.gz ZGBREHVHYKOELB-UHFFFAOYSA-N 1 0 332.404 2.465 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCOCC1 ZINC000134950007 463099926 /nfs/dbraw/zinc/09/99/26/463099926.db2.gz VNDMUZZMODVKCQ-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121236016 463102620 /nfs/dbraw/zinc/10/26/20/463102620.db2.gz UZEOOMWCAYFAGV-DOMZBBRYSA-N 1 0 337.445 2.486 20 5 EEBDRO Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000078439174 463116659 /nfs/dbraw/zinc/11/66/59/463116659.db2.gz ZNFGZBYVJCIHAY-AWEZNQCLSA-N 1 0 348.403 2.089 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000068432079 463136166 /nfs/dbraw/zinc/13/61/66/463136166.db2.gz QWWQEELJAHQDGB-MRXNPFEDSA-N 1 0 330.388 2.006 20 5 EEBDRO C[NH+](C)C1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCCC1 ZINC000068664612 463163372 /nfs/dbraw/zinc/16/33/72/463163372.db2.gz IXWMTLCAXJAWNU-UHFFFAOYSA-N 1 0 331.376 2.118 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053583372 463176511 /nfs/dbraw/zinc/17/65/11/463176511.db2.gz NEOKWSZDORUFHY-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO CCC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121797876 463196632 /nfs/dbraw/zinc/19/66/32/463196632.db2.gz ZJWMMZRXDGLZMT-QGZVFWFLSA-N 1 0 348.447 2.236 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121984204 463227794 /nfs/dbraw/zinc/22/77/94/463227794.db2.gz ODKBNDBWDZUCLX-MJBXVCDLSA-N 1 0 334.420 2.384 20 5 EEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000123369113 463336703 /nfs/dbraw/zinc/33/67/03/463336703.db2.gz LXDZKDIRNKVUCL-UHFFFAOYSA-N 1 0 349.840 2.209 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1C ZINC000123509259 463346018 /nfs/dbraw/zinc/34/60/18/463346018.db2.gz LALNNRZDAUUWQQ-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000161057655 463395620 /nfs/dbraw/zinc/39/56/20/463395620.db2.gz NGASNQLTVBSDRQ-NXEZZACHSA-N 1 0 342.193 2.357 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124636159 463445510 /nfs/dbraw/zinc/44/55/10/463445510.db2.gz XYLNIRPGZGOUFJ-CQSZACIVSA-N 1 0 330.388 2.219 20 5 EEBDRO CN(CCC(=O)OC(C)(C)C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000150899472 463448550 /nfs/dbraw/zinc/44/85/50/463448550.db2.gz KDSWRIWZHSUBSO-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124911345 463479059 /nfs/dbraw/zinc/47/90/59/463479059.db2.gz ZZYJFPRGMYSVRD-SNVBAGLBSA-N 1 0 332.385 2.152 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000151247968 463500463 /nfs/dbraw/zinc/50/04/63/463500463.db2.gz SARAGEPLIBKGHQ-MRXNPFEDSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@H+](C)C1CC1 ZINC000057705266 463510456 /nfs/dbraw/zinc/51/04/56/463510456.db2.gz GHIQEJBMOSMVFB-LBPRGKRZSA-N 1 0 330.388 2.148 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163480587 463591264 /nfs/dbraw/zinc/59/12/64/463591264.db2.gz POEHSTMHCASIDD-CQSZACIVSA-N 1 0 334.420 2.396 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000287184682 463826803 /nfs/dbraw/zinc/82/68/03/463826803.db2.gz TYUJLDUJDCNBEP-HIFRSBDPSA-N 1 0 346.431 2.404 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287269021 463852794 /nfs/dbraw/zinc/85/27/94/463852794.db2.gz SENGCRKAKJVJSM-QMTHXVAHSA-N 1 0 336.367 2.015 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000277106788 463875512 /nfs/dbraw/zinc/87/55/12/463875512.db2.gz CYGHBGIGSNNBBP-LBPRGKRZSA-N 1 0 336.348 2.059 20 5 EEBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1[NH3+] ZINC000269207646 463908643 /nfs/dbraw/zinc/90/86/43/463908643.db2.gz MMXJTJIPAMQFRC-WMLDXEAASA-N 1 0 349.434 2.350 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)c2csc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000194823197 463936203 /nfs/dbraw/zinc/93/62/03/463936203.db2.gz GAWNGNUWZSZTIV-JTQLQIEISA-N 1 0 334.401 2.352 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659678 463938045 /nfs/dbraw/zinc/93/80/45/463938045.db2.gz BMQIYVAJOJTZFY-DOMZBBRYSA-N 1 0 343.387 2.175 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000278765052 463982852 /nfs/dbraw/zinc/98/28/52/463982852.db2.gz UEVUZSNEKGZUQY-CYBMUJFWSA-N 1 0 335.404 2.468 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000178891585 464005418 /nfs/dbraw/zinc/00/54/18/464005418.db2.gz VAFAGQAJSQDMSZ-CQSZACIVSA-N 1 0 345.403 2.497 20 5 EEBDRO CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000178917984 464014883 /nfs/dbraw/zinc/01/48/83/464014883.db2.gz OBFHSYGBHDKYSI-MRXNPFEDSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000279003997 464025063 /nfs/dbraw/zinc/02/50/63/464025063.db2.gz MOCPUGFYJUQEHW-JSGCOSHPSA-N 1 0 343.387 2.276 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000178980223 464030060 /nfs/dbraw/zinc/03/00/60/464030060.db2.gz YLFZNIQTMBNCSA-WFASDCNBSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262807522 464046851 /nfs/dbraw/zinc/04/68/51/464046851.db2.gz OLIMSXKUXJVGNL-YOEHRIQHSA-N 1 0 349.434 2.269 20 5 EEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347145 464091128 /nfs/dbraw/zinc/09/11/28/464091128.db2.gz VFRRTVCWBHNIFE-OLZOCXBDSA-N 1 0 326.418 2.162 20 5 EEBDRO CC(C)([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236625251 464216124 /nfs/dbraw/zinc/21/61/24/464216124.db2.gz PSWWBYNWYAASIZ-UHFFFAOYSA-N 1 0 335.282 2.003 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236793299 464225844 /nfs/dbraw/zinc/22/58/44/464225844.db2.gz SOZABFMDJQRAKP-INIZCTEOSA-N 1 0 345.403 2.226 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000188466493 464288055 /nfs/dbraw/zinc/28/80/55/464288055.db2.gz VTGAIDUPFVDUNK-CQSZACIVSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264441407 464328080 /nfs/dbraw/zinc/32/80/80/464328080.db2.gz FVCXUQFFOPZLAY-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281173282 464359171 /nfs/dbraw/zinc/35/91/71/464359171.db2.gz GZKBWLMQTVFICQ-UHFFFAOYSA-N 1 0 345.321 2.485 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000264658256 464411645 /nfs/dbraw/zinc/41/16/45/464411645.db2.gz HKHCWQJUIQEVER-INIZCTEOSA-N 1 0 348.450 2.364 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174638577 464432225 /nfs/dbraw/zinc/43/22/25/464432225.db2.gz BWXIWRZHAIOCIX-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO C[NH+](C)CC1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000281476099 464469947 /nfs/dbraw/zinc/46/99/47/464469947.db2.gz JHBVJZVXAGAMFJ-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000281492566 464476874 /nfs/dbraw/zinc/47/68/74/464476874.db2.gz UFROVZAAGMLMLW-OAHLLOKOSA-N 1 0 347.415 2.226 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189422368 464500106 /nfs/dbraw/zinc/50/01/06/464500106.db2.gz ZRZVOQWDQVTZQJ-UHFFFAOYSA-N 1 0 336.392 2.089 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000181830236 464530781 /nfs/dbraw/zinc/53/07/81/464530781.db2.gz HRRWEDCHUMZJLB-NSHDSACASA-N 1 0 336.392 2.178 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000294604856 464550634 /nfs/dbraw/zinc/55/06/34/464550634.db2.gz WQRLXIQFKFTAJJ-AWEZNQCLSA-N 1 0 325.384 2.380 20 5 EEBDRO Cc1ccnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c1[N+](=O)[O-] ZINC000265459882 464566665 /nfs/dbraw/zinc/56/66/65/464566665.db2.gz MYMSRBZLJCIBMF-JTQLQIEISA-N 1 0 334.405 2.045 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000281751624 464571886 /nfs/dbraw/zinc/57/18/86/464571886.db2.gz YPSYHJRBBWXNNW-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190042159 464590472 /nfs/dbraw/zinc/59/04/72/464590472.db2.gz LOBURDYXSBWMEO-KBPBESRZSA-N 1 0 325.434 2.410 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000246685149 464611636 /nfs/dbraw/zinc/61/16/36/464611636.db2.gz VXSKOHCKWFVCQT-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+](C2CC2)C1 ZINC000294970844 464666574 /nfs/dbraw/zinc/66/65/74/464666574.db2.gz OIXKVLZCCNWGKC-GFCCVEGCSA-N 1 0 344.415 2.400 20 5 EEBDRO COc1ccc(CC(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593884108 468420091 /nfs/dbraw/zinc/42/00/91/468420091.db2.gz RBLRCZNGFCVVKJ-UHFFFAOYSA-N 1 0 335.404 2.090 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850682 464717673 /nfs/dbraw/zinc/71/76/73/464717673.db2.gz PHRCQEDLPXSCRC-UKRRQHHQSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000273870661 464726601 /nfs/dbraw/zinc/72/66/01/464726601.db2.gz QAQJLXZRBXXHCQ-DLBZAZTESA-N 1 0 330.388 2.379 20 5 EEBDRO CCN1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295193468 464740472 /nfs/dbraw/zinc/74/04/72/464740472.db2.gz DKYULNYAIYVIEU-CYBMUJFWSA-N 1 0 333.388 2.110 20 5 EEBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000295285359 464774068 /nfs/dbraw/zinc/77/40/68/464774068.db2.gz BQVVBUPBWFCHCH-RYUDHWBXSA-N 1 0 331.376 2.489 20 5 EEBDRO Cn1cc([C@@H]2CSCCN2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191212219 464799350 /nfs/dbraw/zinc/79/93/50/464799350.db2.gz YNEDMZKZHQXIEZ-INIZCTEOSA-N 1 0 348.428 2.497 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000183454262 464866895 /nfs/dbraw/zinc/86/68/95/464866895.db2.gz SCBPQDIEIJIVMK-WOSRLPQWSA-N 1 0 335.404 2.190 20 5 EEBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCCC1 ZINC000286478458 464932188 /nfs/dbraw/zinc/93/21/88/464932188.db2.gz ULCPGDQOZCBZDX-LLVKDONJSA-N 1 0 331.376 2.387 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000192674654 464974150 /nfs/dbraw/zinc/97/41/50/464974150.db2.gz HRZPXKLBGROUTL-CHWSQXEVSA-N 1 0 339.440 2.421 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000295903866 465000388 /nfs/dbraw/zinc/00/03/88/465000388.db2.gz GTRJNTHKIWUVRL-IAGOWNOFSA-N 1 0 342.399 2.379 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000192799517 465000983 /nfs/dbraw/zinc/00/09/83/465000983.db2.gz KXLBGHYUTHZKCQ-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351830438 465387136 /nfs/dbraw/zinc/38/71/36/465387136.db2.gz RWKZNSHZKPXGDL-VWYCJHECSA-N 1 0 341.795 2.211 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C)CC1 ZINC000298656949 465462748 /nfs/dbraw/zinc/46/27/48/465462748.db2.gz GXHYJFLQDWZSNY-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298996123 465559356 /nfs/dbraw/zinc/55/93/56/465559356.db2.gz SMTVCIDEOGPYRQ-AWEZNQCLSA-N 1 0 328.372 2.317 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000356841241 465568833 /nfs/dbraw/zinc/56/88/33/465568833.db2.gz FBDJIRLLHUUXJG-GHMZBOCLSA-N 1 0 325.796 2.342 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000356870056 465589378 /nfs/dbraw/zinc/58/93/78/465589378.db2.gz CXIHTJGAAKBKPL-CHWSQXEVSA-N 1 0 330.388 2.101 20 5 EEBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000299123225 465612679 /nfs/dbraw/zinc/61/26/79/465612679.db2.gz ABEFSMTUJOHREB-UHFFFAOYSA-N 1 0 332.326 2.273 20 5 EEBDRO Cc1cc(NC[C@@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360934598 465644200 /nfs/dbraw/zinc/64/42/00/465644200.db2.gz NFMNMLFAVAKWTH-CQSZACIVSA-N 1 0 331.372 2.073 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000360938579 465648053 /nfs/dbraw/zinc/64/80/53/465648053.db2.gz VBJSYAIKOYVBLV-CQSZACIVSA-N 1 0 346.431 2.440 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000299223652 465654072 /nfs/dbraw/zinc/65/40/72/465654072.db2.gz ONUXGASVHANPGU-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000371275991 465681826 /nfs/dbraw/zinc/68/18/26/465681826.db2.gz RKOCCRDZRAEDDO-UONOGXRCSA-N 1 0 331.397 2.484 20 5 EEBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362527172 465806302 /nfs/dbraw/zinc/80/63/02/465806302.db2.gz YSLQVMRVXFWNNN-CABCVRRESA-N 1 0 344.795 2.158 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000353417143 465867451 /nfs/dbraw/zinc/86/74/51/465867451.db2.gz ZTGSHJVFEURWGB-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCCC[C@@H]3CO)n2)cc1 ZINC000594016705 468461166 /nfs/dbraw/zinc/46/11/66/468461166.db2.gz FFKLLERBIQZOKH-CQSZACIVSA-N 1 0 332.360 2.382 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346244060 466024316 /nfs/dbraw/zinc/02/43/16/466024316.db2.gz ULTBTOXDPACRSE-HEHGZKQESA-N 1 0 347.415 2.406 20 5 EEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788348 466186034 /nfs/dbraw/zinc/18/60/34/466186034.db2.gz XINLNNQRUMIFPP-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353843087 466191658 /nfs/dbraw/zinc/19/16/58/466191658.db2.gz LMJIZZNKENWIKO-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000332051123 466362128 /nfs/dbraw/zinc/36/21/28/466362128.db2.gz NAGXOGBRMZNQCX-GXTWGEPZSA-N 1 0 330.388 2.148 20 5 EEBDRO C[C@H](O)[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000305183984 466371380 /nfs/dbraw/zinc/37/13/80/466371380.db2.gz OSRZVICJYDFNJX-AAEUAGOBSA-N 1 0 332.360 2.238 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000305460157 466410652 /nfs/dbraw/zinc/41/06/52/466410652.db2.gz VGYGZXOXCSXRPA-BLLLJJGKSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000338926003 466491241 /nfs/dbraw/zinc/49/12/41/466491241.db2.gz PNLZVDMFVQGFQY-UHFFFAOYSA-N 1 0 344.415 2.398 20 5 EEBDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358201239 466535589 /nfs/dbraw/zinc/53/55/89/466535589.db2.gz JPWGPUZKFWLTFF-IAGOWNOFSA-N 1 0 347.415 2.415 20 5 EEBDRO C[C@H]1[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363794128 466620625 /nfs/dbraw/zinc/62/06/25/466620625.db2.gz KNKYGQNDRZLSPZ-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415434216 466678707 /nfs/dbraw/zinc/67/87/07/466678707.db2.gz HLKCHNDFNKCAQK-QWHCGFSZSA-N 1 0 334.376 2.113 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000423702384 466808255 /nfs/dbraw/zinc/80/82/55/466808255.db2.gz YDOODGXGWPMPRL-LBPRGKRZSA-N 1 0 345.371 2.434 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365405058 466808406 /nfs/dbraw/zinc/80/84/06/466808406.db2.gz KGNFZFHFCYGFTI-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(CC[N@H+]1CC[C@@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411757469 466894803 /nfs/dbraw/zinc/89/48/03/466894803.db2.gz MKKKUBJXYHCKRF-OAHLLOKOSA-N 1 0 333.388 2.303 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]12CCOC2 ZINC000411767687 466897556 /nfs/dbraw/zinc/89/75/56/466897556.db2.gz OGWQSIXRNYRKPI-QGZVFWFLSA-N 1 0 349.387 2.187 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411785783 466901026 /nfs/dbraw/zinc/90/10/26/466901026.db2.gz BWSOEDVZYNPJPJ-HNNXBMFYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708738 466914767 /nfs/dbraw/zinc/91/47/67/466914767.db2.gz AEIVQSZINOPDIN-DZGCQCFKSA-N 1 0 334.420 2.296 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417716319 466916422 /nfs/dbraw/zinc/91/64/22/466916422.db2.gz LIXYMLJIFBBJAC-CQSZACIVSA-N 1 0 349.435 2.099 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423962303 466929809 /nfs/dbraw/zinc/92/98/09/466929809.db2.gz DXNDFEZSFOAZMV-DLBZAZTESA-N 1 0 325.368 2.009 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424112691 466982807 /nfs/dbraw/zinc/98/28/07/466982807.db2.gz LCLZBBTXTXRZIK-WMLDXEAASA-N 1 0 340.383 2.269 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000418615813 467136284 /nfs/dbraw/zinc/13/62/84/467136284.db2.gz YICHDADMDAHZDO-OCCSQVGLSA-N 1 0 332.404 2.409 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452037469 467311091 /nfs/dbraw/zinc/31/10/91/467311091.db2.gz UVYNDPLECQLXTK-HZPDHXFCSA-N 1 0 335.404 2.495 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452099108 467322372 /nfs/dbraw/zinc/32/23/72/467322372.db2.gz CAONTGAMERRBTH-CYBMUJFWSA-N 1 0 341.433 2.006 20 5 EEBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107280 467324747 /nfs/dbraw/zinc/32/47/47/467324747.db2.gz AUVTZDXGCGVEGN-SWLSCSKDSA-N 1 0 333.388 2.280 20 5 EEBDRO C[N@H+](CCCNC(=O)C1CCC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000429549871 467345125 /nfs/dbraw/zinc/34/51/25/467345125.db2.gz VMMMXJZCMIPMBE-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000420436757 467407730 /nfs/dbraw/zinc/40/77/30/467407730.db2.gz OTMPJONQIJWQTC-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420467779 467416981 /nfs/dbraw/zinc/41/69/81/467416981.db2.gz NNQQCMGMDXVQFA-ZJUUUORDSA-N 1 0 347.824 2.044 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555197 467439793 /nfs/dbraw/zinc/43/97/93/467439793.db2.gz OJAFMBPUNAGRIM-IHRRRGAJSA-N 1 0 334.420 2.289 20 5 EEBDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000435726001 467491701 /nfs/dbraw/zinc/49/17/01/467491701.db2.gz KSRMOSVIHMABCW-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449650730 467677229 /nfs/dbraw/zinc/67/72/29/467677229.db2.gz USDOEIIJCWAFCR-STQMWFEESA-N 1 0 343.387 2.028 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCC1 ZINC000450716637 467896662 /nfs/dbraw/zinc/89/66/62/467896662.db2.gz OUFGSFRPPKLBQJ-UHFFFAOYSA-N 1 0 342.403 2.434 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493598635 467945780 /nfs/dbraw/zinc/94/57/80/467945780.db2.gz PTKGMKATDRLERV-RQTGCPSESA-N 1 0 329.400 2.456 20 5 EEBDRO O=C1[C@@H](SCC2CC[NH2+]CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000517137968 468072515 /nfs/dbraw/zinc/07/25/15/468072515.db2.gz RDYKPNFIXSUFAW-HNNXBMFYSA-N 1 0 335.429 2.433 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532057241 468093847 /nfs/dbraw/zinc/09/38/47/468093847.db2.gz YSDWGLQVGVJTAJ-ZDUSSCGKSA-N 1 0 334.420 2.344 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCCOCC1 ZINC000517956422 468102798 /nfs/dbraw/zinc/10/27/98/468102798.db2.gz RMJANQZCQPZDMQ-OAHLLOKOSA-N 1 0 335.404 2.408 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000589598949 468165127 /nfs/dbraw/zinc/16/51/27/468165127.db2.gz PHHYRCKHFGQXEA-GFCCVEGCSA-N 1 0 349.435 2.318 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1C ZINC000567697080 468187305 /nfs/dbraw/zinc/18/73/05/468187305.db2.gz OFUKWIYJXVENRI-OAHLLOKOSA-N 1 0 331.372 2.136 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]([C@H]4CCOC4)CC3)ccnc21 ZINC000590083667 468212734 /nfs/dbraw/zinc/21/27/34/468212734.db2.gz DTHOWUROZZIQCT-ZDUSSCGKSA-N 1 0 328.372 2.054 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197800 468509802 /nfs/dbraw/zinc/50/98/02/468509802.db2.gz PWEYRUIJNZYPHL-CABCVRRESA-N 1 0 347.415 2.279 20 5 EEBDRO CC[C@@H](CN1CCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591742863 468512773 /nfs/dbraw/zinc/51/27/73/468512773.db2.gz NHSQFYBNMYAJAT-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO CCOC(=O)Cc1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000591904906 468558117 /nfs/dbraw/zinc/55/81/17/468558117.db2.gz KNVHBKVZOGQXFN-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594521708 468614550 /nfs/dbraw/zinc/61/45/50/468614550.db2.gz NVLWEXJCYKDLLM-TZMCWYRMSA-N 1 0 329.404 2.192 20 5 EEBDRO [NH3+]C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600726527 468637656 /nfs/dbraw/zinc/63/76/56/468637656.db2.gz LTEKHGGTZTUORR-SMDDNHRTSA-N 1 0 347.337 2.433 20 5 EEBDRO COc1c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597709753 468647302 /nfs/dbraw/zinc/64/73/02/468647302.db2.gz BDEYQYMEIWTDBY-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597710177 468647379 /nfs/dbraw/zinc/64/73/79/468647379.db2.gz JAHHKBSMXATSAK-GOSISDBHSA-N 1 0 347.415 2.226 20 5 EEBDRO CC[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000592488725 468709618 /nfs/dbraw/zinc/70/96/18/468709618.db2.gz MMBWGFKQVOGBCS-RISCZKNCSA-N 1 0 331.376 2.204 20 5 EEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000558759550 468713603 /nfs/dbraw/zinc/71/36/03/468713603.db2.gz KQEABFVGLMFIRY-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592567587 468730852 /nfs/dbraw/zinc/73/08/52/468730852.db2.gz DGHOISAURBQYEB-ZDUSSCGKSA-N 1 0 333.388 2.398 20 5 EEBDRO COc1ccc(N2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000594965416 468733947 /nfs/dbraw/zinc/73/39/47/468733947.db2.gz HNKNFDUUEQPLBE-CQSZACIVSA-N 1 0 341.367 2.499 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000595022787 468745225 /nfs/dbraw/zinc/74/52/25/468745225.db2.gz VYKCMBAUHUHTPE-WDEREUQCSA-N 1 0 330.406 2.077 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595263899 468796626 /nfs/dbraw/zinc/79/66/26/468796626.db2.gz VYVUMSVYUNRTMN-UHFFFAOYSA-N 1 0 337.424 2.084 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000595287112 468800128 /nfs/dbraw/zinc/80/01/28/468800128.db2.gz LKJSVCRJMQJUQC-HZPDHXFCSA-N 1 0 347.463 2.090 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000595298725 468805705 /nfs/dbraw/zinc/80/57/05/468805705.db2.gz RZSBMAJSMUKRQL-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595344774 468818089 /nfs/dbraw/zinc/81/80/89/468818089.db2.gz IXMOKYWXRJGQNN-AWEZNQCLSA-N 1 0 341.433 2.008 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598341984 468836922 /nfs/dbraw/zinc/83/69/22/468836922.db2.gz JTDSMLZFIVTPJX-SNVBAGLBSA-N 1 0 343.330 2.410 20 5 EEBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593059982 468857217 /nfs/dbraw/zinc/85/72/17/468857217.db2.gz UNWSLRQEMLKULA-KGLIPLIRSA-N 1 0 338.404 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H]4C[C@H](O)CC[C@@H]4C3)n2)cc1 ZINC000595637894 468934352 /nfs/dbraw/zinc/93/43/52/468934352.db2.gz ZNWQXJVNRYAWGY-VNHYZAJKSA-N 1 0 344.371 2.238 20 5 EEBDRO COC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598632048 468939521 /nfs/dbraw/zinc/93/95/21/468939521.db2.gz ZBFYJLQNDUVFRJ-QWHCGFSZSA-N 1 0 334.376 2.205 20 5 EEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000598668443 468952095 /nfs/dbraw/zinc/95/20/95/468952095.db2.gz SUTDKCQNYMQAHJ-KDOFPFPSSA-N 1 0 344.415 2.148 20 5 EEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000598669996 468952415 /nfs/dbraw/zinc/95/24/15/468952415.db2.gz PQROKARMCUVDBX-PXAZEXFGSA-N 1 0 330.388 2.123 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682809 468957626 /nfs/dbraw/zinc/95/76/26/468957626.db2.gz PAZBUTKEEPBUIM-GDZNZVCISA-N 1 0 332.404 2.043 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598713338 468970146 /nfs/dbraw/zinc/97/01/46/468970146.db2.gz BCAAAYCUOYGSKZ-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598715949 468970877 /nfs/dbraw/zinc/97/08/77/468970877.db2.gz VXLIXODHBLGQMD-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000610576940 469008708 /nfs/dbraw/zinc/00/87/08/469008708.db2.gz JHFBAXNBQTZRKB-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586771824 469062657 /nfs/dbraw/zinc/06/26/57/469062657.db2.gz QGADCRQXGOMBAY-OAHLLOKOSA-N 1 0 343.387 2.275 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000602787750 469074964 /nfs/dbraw/zinc/07/49/64/469074964.db2.gz KPJZEXIBMCZFEU-DZKIICNBSA-N 1 0 335.452 2.437 20 5 EEBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814364 469092330 /nfs/dbraw/zinc/09/23/30/469092330.db2.gz DRDFXNMSZMQYLP-MRXNPFEDSA-N 1 0 332.404 2.289 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733371 469114926 /nfs/dbraw/zinc/11/49/26/469114926.db2.gz MAHXAYQZCPKJLO-TZMCWYRMSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593734045 469116185 /nfs/dbraw/zinc/11/61/85/469116185.db2.gz SBMFPFJUWLFYMW-CJNGLKHVSA-N 1 0 334.420 2.007 20 5 EEBDRO CCC(CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000596071109 469140106 /nfs/dbraw/zinc/14/01/06/469140106.db2.gz WCTVJSJRSGETGH-HNNXBMFYSA-N 1 0 347.419 3.022 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589189054 469209564 /nfs/dbraw/zinc/20/95/64/469209564.db2.gz XBUORDKQOBIPNS-UKRRQHHQSA-N 1 0 347.415 2.425 20 5 EEBDRO COc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1C ZINC000596222802 469211001 /nfs/dbraw/zinc/21/10/01/469211001.db2.gz MKRICESTJIQANY-UHFFFAOYSA-N 1 0 336.436 2.350 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000611572444 469282831 /nfs/dbraw/zinc/28/28/31/469282831.db2.gz FMHJWVXJBJFUSA-MRXNPFEDSA-N 1 0 329.404 2.088 20 5 EEBDRO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000602435061 469314760 /nfs/dbraw/zinc/31/47/60/469314760.db2.gz SOAMZGCEOUZIFW-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ncccc3F)CC2)cn1 ZINC000602583988 469371403 /nfs/dbraw/zinc/37/14/03/469371403.db2.gz VEGYFYDQOKWCDO-UHFFFAOYSA-N 1 0 331.351 2.283 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000603424472 469391701 /nfs/dbraw/zinc/39/17/01/469391701.db2.gz XRBAVZUVUDMTHK-UHFFFAOYSA-N 1 0 334.420 2.396 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000618898153 469463315 /nfs/dbraw/zinc/46/33/15/469463315.db2.gz CHSJCOACWBJTKA-UHFFFAOYSA-N 1 0 330.388 2.185 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000609347935 469921815 /nfs/dbraw/zinc/92/18/15/469921815.db2.gz GTXMVITYLAVPNU-OAHLLOKOSA-N 1 0 347.415 2.233 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609396859 469925482 /nfs/dbraw/zinc/92/54/82/469925482.db2.gz KMTNJWLFOCPLDM-GFCCVEGCSA-N 1 0 334.376 2.209 20 5 EEBDRO C[C@@H]1SCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000181895177 534220649 /nfs/dbraw/zinc/22/06/49/534220649.db2.gz RPPGQIFDFAEPST-AVGNSLFASA-N 1 0 326.418 2.160 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191631553 534321620 /nfs/dbraw/zinc/32/16/20/534321620.db2.gz RQHCNVYJYQDOKQ-UHFFFAOYSA-N 1 0 328.372 2.031 20 5 EEBDRO Cn1cc(C[NH2+]CCOCC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190900599 534734063 /nfs/dbraw/zinc/73/40/63/534734063.db2.gz FFPMOBMAFWVHIO-UHFFFAOYSA-N 1 0 340.330 2.367 20 5 EEBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181832015 527798579 /nfs/dbraw/zinc/79/85/79/527798579.db2.gz UIGUZHZBTAXVBX-MRXNPFEDSA-N 1 0 346.387 2.464 20 5 EEBDRO CC1([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183875677 528056907 /nfs/dbraw/zinc/05/69/07/528056907.db2.gz UXSOOTXRNNEGOZ-AWEZNQCLSA-N 1 0 336.388 2.449 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451628311 536762827 /nfs/dbraw/zinc/76/28/27/536762827.db2.gz DTDARALJYSTCMC-UKRRQHHQSA-N 1 0 337.376 2.089 20 5 EEBDRO COc1cc(C[NH2+]CCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000266164022 536796122 /nfs/dbraw/zinc/79/61/22/536796122.db2.gz ORUXJLAFNPIHRQ-UHFFFAOYSA-N 1 0 326.349 2.130 20 5 EEBDRO CC[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586282 576277966 /nfs/dbraw/zinc/27/79/66/576277966.db2.gz JDCGZGQHTOMHLD-ZDUSSCGKSA-N 1 0 346.387 2.443 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727113374 576406698 /nfs/dbraw/zinc/40/66/98/576406698.db2.gz IFUVWGAQZNCSII-HNNXBMFYSA-N 1 0 344.415 2.162 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000771866125 577235084 /nfs/dbraw/zinc/23/50/84/577235084.db2.gz CTABXSHNNVJMAM-MRXNPFEDSA-N 1 0 344.371 2.443 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774528379 577402322 /nfs/dbraw/zinc/40/23/22/577402322.db2.gz DMKJFTSNSSKVTB-GFCCVEGCSA-N 1 0 332.404 2.241 20 5 EEBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000766471786 577520040 /nfs/dbraw/zinc/52/00/40/577520040.db2.gz ZTKUVNHDOSXJHY-CQSZACIVSA-N 1 0 328.752 2.060 20 5 EEBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCOC1 ZINC000770674327 577601358 /nfs/dbraw/zinc/60/13/58/577601358.db2.gz BTYHOOVCTUEWKB-OAHLLOKOSA-N 1 0 342.779 2.450 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000751070099 577747758 /nfs/dbraw/zinc/74/77/58/577747758.db2.gz PAAFWLADYJPKLB-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1C ZINC000754079010 577799820 /nfs/dbraw/zinc/79/98/20/577799820.db2.gz FGKAFIPIKBXBBY-GFCCVEGCSA-N 1 0 334.376 2.082 20 5 EEBDRO Cc1nn(C[N@H+]2CC[C@H](c3nccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791765 577831577 /nfs/dbraw/zinc/83/15/77/577831577.db2.gz SFVSLARTPJNJRT-ZDUSSCGKSA-N 1 0 340.387 2.433 20 5 EEBDRO C[NH+](C)CCCNC(=S)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756788294 577850193 /nfs/dbraw/zinc/85/01/93/577850193.db2.gz IJUIVMSOWMOYEN-UHFFFAOYSA-N 1 0 330.841 2.164 20 5 EEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000757885872 577866034 /nfs/dbraw/zinc/86/60/34/577866034.db2.gz LSPAPJNSLXOSJE-UHFFFAOYSA-N 1 0 349.435 2.348 20 5 EEBDRO Cn1c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000735210072 578140522 /nfs/dbraw/zinc/14/05/22/578140522.db2.gz HRBOCTFRYYQFIS-CQSZACIVSA-N 1 0 329.356 2.365 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021941145 676555685 /nfs/dbraw/zinc/55/56/85/676555685.db2.gz JQCZNZNXZHQBJM-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)ns1 ZINC001022013883 676584137 /nfs/dbraw/zinc/58/41/37/676584137.db2.gz VAHCSIOQSNKZMX-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C)C1 ZINC000933485576 676689211 /nfs/dbraw/zinc/68/92/11/676689211.db2.gz CKZZWNPXYYTDDD-QMMMGPOBSA-N 1 0 344.774 2.136 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000891649469 676752990 /nfs/dbraw/zinc/75/29/90/676752990.db2.gz ACRGWTSNYJNTEB-RVSPLBMKSA-N 1 0 332.404 2.215 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC000891722558 676802800 /nfs/dbraw/zinc/80/28/00/676802800.db2.gz FQRHBMVHNDZNHU-UHFFFAOYSA-N 1 0 332.404 2.065 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892036066 677932477 /nfs/dbraw/zinc/93/24/77/677932477.db2.gz RDIWZUJIWZQXOQ-LBPRGKRZSA-N 1 0 330.388 2.341 20 5 EEBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000724886487 679245112 /nfs/dbraw/zinc/24/51/12/679245112.db2.gz HGFVHUJXCCNHIT-DGCLKSJQSA-N 1 0 345.193 2.251 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000005591581 681240487 /nfs/dbraw/zinc/24/04/87/681240487.db2.gz AWOHSPQLQVNHAI-UHFFFAOYSA-N 1 0 338.364 2.273 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160287 681250115 /nfs/dbraw/zinc/25/01/15/681250115.db2.gz BQFLMPKHVWOWRY-MRVPVSSYSA-N 1 0 343.181 2.312 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896881221 685460778 /nfs/dbraw/zinc/46/07/78/685460778.db2.gz DBURCTQXJFQJHD-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000894395291 682801973 /nfs/dbraw/zinc/80/19/73/682801973.db2.gz CNVRHWBNYQHTJI-CVEARBPZSA-N 1 0 332.404 2.281 20 5 EEBDRO COc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000892775350 683030615 /nfs/dbraw/zinc/03/06/15/683030615.db2.gz ZMSYBXFAWPFAEU-KRWDZBQOSA-N 1 0 333.388 2.126 20 5 EEBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[NH2+]1 ZINC000895058092 683577399 /nfs/dbraw/zinc/57/73/99/683577399.db2.gz HYJUJVDOJKOTJH-ZDUSSCGKSA-N 1 0 332.404 2.065 20 5 EEBDRO Cn1c2ccccc2c(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])c1=O ZINC000895193037 684273162 /nfs/dbraw/zinc/27/31/62/684273162.db2.gz RCERYZGQEDDNPX-QWHCGFSZSA-N 1 0 342.399 2.120 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C(F)F)CC1 ZINC000985192820 686068786 /nfs/dbraw/zinc/06/87/86/686068786.db2.gz PMOBIXDTFNFOJF-UHFFFAOYSA-N 1 0 327.331 2.283 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000893447898 687608458 /nfs/dbraw/zinc/60/84/58/687608458.db2.gz MJXKZOFJLMVWHC-AWEZNQCLSA-N 1 0 340.383 2.270 20 5 EEBDRO CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000888179615 690505828 /nfs/dbraw/zinc/50/58/28/690505828.db2.gz ZXIJPEMZYCEYPX-UHFFFAOYSA-N 1 0 342.399 2.496 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000905519758 1189766771 /nfs/dbraw/zinc/76/67/71/1189766771.db2.gz FUGJLLWNRQTQSY-LLVKDONJSA-N 1 0 349.412 2.070 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000905564059 1189778479 /nfs/dbraw/zinc/77/84/79/1189778479.db2.gz JWLQDXGEITZSAC-KGLIPLIRSA-N 1 0 347.337 2.245 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005377339 1195330298 /nfs/dbraw/zinc/33/02/98/1195330298.db2.gz BQGJKMITOSADDS-IAGOWNOFSA-N 1 0 331.416 2.083 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000872030777 1198030924 /nfs/dbraw/zinc/03/09/24/1198030924.db2.gz CDCJHRTXYAHPBF-JTQLQIEISA-N 1 0 332.447 2.402 20 5 EEBDRO Cc1c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873124075 1198506538 /nfs/dbraw/zinc/50/65/38/1198506538.db2.gz AYUVEHDVCFAHAL-AWEZNQCLSA-N 1 0 347.337 2.256 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncsc1C1CC1 ZINC001133776580 1199033382 /nfs/dbraw/zinc/03/33/82/1199033382.db2.gz DTURQBDTHUSGST-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001131986429 1199172418 /nfs/dbraw/zinc/17/24/18/1199172418.db2.gz SDMXAWZTZPTDPN-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO CSC1(CNc2ccc([N+](=O)[O-])c3nonc32)CC[NH+](C)CC1 ZINC000811854076 1200360242 /nfs/dbraw/zinc/36/02/42/1200360242.db2.gz PSCKPPSOYRWTTE-UHFFFAOYSA-N 1 0 337.405 2.370 20 5 EEBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000878551871 1200538587 /nfs/dbraw/zinc/53/85/87/1200538587.db2.gz WAQCRKOLJBDAHE-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)COCC1CC1 ZINC000866252316 1201476328 /nfs/dbraw/zinc/47/63/28/1201476328.db2.gz WXDPUKMKIXAOFI-ABAIWWIYSA-N 1 0 326.368 2.042 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866282028 1201482623 /nfs/dbraw/zinc/48/26/23/1201482623.db2.gz LRFAIWZRRAESJJ-AWEZNQCLSA-N 1 0 349.406 2.467 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295697 1201486333 /nfs/dbraw/zinc/48/63/33/1201486333.db2.gz APTUDYUKWFNJKB-WDEREUQCSA-N 1 0 332.397 2.078 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CCCO ZINC000866364143 1201500466 /nfs/dbraw/zinc/50/04/66/1201500466.db2.gz AWXFBVRNXBISKM-CJNGLKHVSA-N 1 0 339.411 2.101 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000866369687 1201501356 /nfs/dbraw/zinc/50/13/56/1201501356.db2.gz NCZBZRFIFMHZDB-BYCMXARLSA-N 1 0 335.379 2.408 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374202 1201502092 /nfs/dbraw/zinc/50/20/92/1201502092.db2.gz FIUGKEWRBYQMKI-LLVKDONJSA-N 1 0 332.397 2.079 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC000880569184 1201525401 /nfs/dbraw/zinc/52/54/01/1201525401.db2.gz JHKYFCMWGSWJIO-MRXNPFEDSA-N 1 0 326.360 2.019 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000882392428 1201864714 /nfs/dbraw/zinc/86/47/14/1201864714.db2.gz LXBGPSSHWRNURS-JTQLQIEISA-N 1 0 349.840 2.175 20 5 EEBDRO CC1CCN(Cc2cn(C[C@H](O)c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000883994281 1202193345 /nfs/dbraw/zinc/19/33/45/1202193345.db2.gz SZPBPWHOPDNXGW-KRWDZBQOSA-N 1 0 345.403 2.152 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000800218369 1202222118 /nfs/dbraw/zinc/22/21/18/1202222118.db2.gz QPIYMXFKSDDGTK-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000135498383 1202353490 /nfs/dbraw/zinc/35/34/90/1202353490.db2.gz GPSMRZXKBGOEFK-UHFFFAOYSA-N 1 0 345.359 2.466 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924476425 1205981788 /nfs/dbraw/zinc/98/17/88/1205981788.db2.gz SYQVMOCAKJXXEG-SWLSCSKDSA-N 1 0 346.387 2.062 20 5 EEBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000935316173 1208131875 /nfs/dbraw/zinc/13/18/75/1208131875.db2.gz QLWDKLRBPBLNBS-JCURWCKSSA-N 1 0 329.400 2.465 20 5 EEBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC000950056289 1210001771 /nfs/dbraw/zinc/00/17/71/1210001771.db2.gz ZPEHJGLWEIZUEU-ZIAGYGMSSA-N 1 0 345.390 2.010 20 5 EEBDRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420405270 1217546373 /nfs/dbraw/zinc/54/63/73/1217546373.db2.gz PHYQEMQTVZVRDJ-OAHLLOKOSA-N 1 0 338.795 2.015 20 5 EEBDRO CCOc1cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000796581355 1221430621 /nfs/dbraw/zinc/43/06/21/1221430621.db2.gz WFTHVJNDFYOUHB-UHFFFAOYSA-N 1 0 335.404 2.484 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC001020278557 1229599265 /nfs/dbraw/zinc/59/92/65/1229599265.db2.gz IPYSCTBPFKPJHU-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095956941 1232567014 /nfs/dbraw/zinc/56/70/14/1232567014.db2.gz KWAZDRQWYMTNAA-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)c2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000900964884 1235053952 /nfs/dbraw/zinc/05/39/52/1235053952.db2.gz BDSQRQXGYIPMLJ-ZDUSSCGKSA-N 1 0 345.403 2.152 20 5 EEBDRO Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001000676243 1240715273 /nfs/dbraw/zinc/71/52/73/1240715273.db2.gz ZRZMCKGFTQVUEN-QZTJIDSGSA-N 1 0 343.427 2.217 20 5 EEBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097053578 1243631100 /nfs/dbraw/zinc/63/11/00/1243631100.db2.gz UNELYMMANAUNIS-SHTZXODSSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097056745 1243668991 /nfs/dbraw/zinc/66/89/91/1243668991.db2.gz JJBGFWBPKOVGSH-SHTZXODSSA-N 1 0 334.420 2.304 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001097206160 1243824233 /nfs/dbraw/zinc/82/42/33/1243824233.db2.gz SVRBLMFZQJCBGV-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827462666 1248126849 /nfs/dbraw/zinc/12/68/49/1248126849.db2.gz LSVJQAQUMPAETF-RHSMWYFYSA-N 1 0 349.431 2.112 20 5 EEBDRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072391502 1255122135 /nfs/dbraw/zinc/12/21/35/1255122135.db2.gz LOYPCBRXGYMLTN-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO C[N@H+](CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001110383775 1279180261 /nfs/dbraw/zinc/18/02/61/1279180261.db2.gz YTOXZWBETRZBQR-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000108346327 1290948761 /nfs/dbraw/zinc/94/87/61/1290948761.db2.gz IFRDBCNXCPEOBL-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO CC1(C)OC[C@H](CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843479 1291880708 /nfs/dbraw/zinc/88/07/08/1291880708.db2.gz IEAGTEJACWLYSU-OCCSQVGLSA-N 1 0 336.392 2.018 20 5 EEBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000851956620 1291931929 /nfs/dbraw/zinc/93/19/29/1291931929.db2.gz XDTZOMBEOCXIIP-SNVBAGLBSA-N 1 0 340.380 2.238 20 5 EEBDRO Cc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000852742502 1292182316 /nfs/dbraw/zinc/18/23/16/1292182316.db2.gz ISILREJWEAOLEH-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854650370 1292905504 /nfs/dbraw/zinc/90/55/04/1292905504.db2.gz PQIPBTSSWVGLPG-TVQRCGJNSA-N 1 0 343.786 2.481 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861607525 1295475229 /nfs/dbraw/zinc/47/52/29/1295475229.db2.gz BMNISSGJBMTFFS-AWEZNQCLSA-N 1 0 340.811 2.388 20 5 EEBDRO O=C(CNC1CC[NH2+]CC1)Nc1cc2cccnc2c2ncccc12 ZINC001218979812 1297892091 /nfs/dbraw/zinc/89/20/91/1297892091.db2.gz ZSIVDLNIYMUUIQ-UHFFFAOYSA-N 1 0 335.411 2.063 20 5 EEBDRO CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220418272 1298401565 /nfs/dbraw/zinc/40/15/65/1298401565.db2.gz INZOQFWFUQRYJP-DJJJIMSYSA-N 1 0 349.434 2.114 20 5 EEBDRO CC(C)OCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222547910 1299673063 /nfs/dbraw/zinc/67/30/63/1299673063.db2.gz JJDLRCZVJLDURO-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1 ZINC001101858938 1299951249 /nfs/dbraw/zinc/95/12/49/1299951249.db2.gz KFZSIFBDIXLIKL-UHFFFAOYSA-N 1 0 339.355 2.427 20 5 EEBDRO CCCCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230762531 1303436942 /nfs/dbraw/zinc/43/69/42/1303436942.db2.gz DCEVPHBOTWQREW-IAGOWNOFSA-N 1 0 348.447 2.245 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116147604 1305858647 /nfs/dbraw/zinc/85/86/47/1305858647.db2.gz LHUTXQFXBGTUDW-HNNXBMFYSA-N 1 0 334.445 2.269 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001118778065 1308940938 /nfs/dbraw/zinc/94/09/38/1308940938.db2.gz RECYWKSXUXXNTG-GFCCVEGCSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC001120557749 1309610183 /nfs/dbraw/zinc/61/01/83/1309610183.db2.gz AHNVDICPBMDCHU-BDJLRTHQSA-N 1 0 344.371 2.470 20 5 EEBDRO CO[C@H]1C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000840141145 1315307465 /nfs/dbraw/zinc/30/74/65/1315307465.db2.gz QBWJGKGFDQXRAT-GJZGRUSLSA-N 1 0 345.403 2.495 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856497 1315624722 /nfs/dbraw/zinc/62/47/22/1315624722.db2.gz QEDJRNHJRIZPBS-ZJUUUORDSA-N 1 0 326.784 2.127 20 5 EEBDRO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000841857668 1315624898 /nfs/dbraw/zinc/62/48/98/1315624898.db2.gz JVEWBZMKLBHILP-CMPLNLGQSA-N 1 0 340.811 2.375 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H](O)c1ccccc1 ZINC000843085622 1315838108 /nfs/dbraw/zinc/83/81/08/1315838108.db2.gz AIGAMHQCTURIPN-WBVHZDCISA-N 1 0 346.383 2.048 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000843121744 1315847702 /nfs/dbraw/zinc/84/77/02/1315847702.db2.gz JUVUSWALSBQOJJ-UWVGGRQHSA-N 1 0 346.200 2.489 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843345853 1315895158 /nfs/dbraw/zinc/89/51/58/1315895158.db2.gz HBPJDUYFOCNIOG-MFKMUULPSA-N 1 0 340.811 2.388 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C)([NH3+])CC1 ZINC000843376126 1315903581 /nfs/dbraw/zinc/90/35/81/1315903581.db2.gz YNZSMHRVWCQWJD-JTQLQIEISA-N 1 0 340.811 2.388 20 5 EEBDRO COc1cncc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001249342466 1317056850 /nfs/dbraw/zinc/05/68/50/1317056850.db2.gz MNYVCPARIJZKSQ-CQSZACIVSA-N 1 0 341.327 2.291 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155523442 1317636586 /nfs/dbraw/zinc/63/65/86/1317636586.db2.gz RJRZBGNSFCYOCQ-MRTMQBJTSA-N 1 0 347.202 2.333 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592435 1317663437 /nfs/dbraw/zinc/66/34/37/1317663437.db2.gz OZTPHBUKOLUIDJ-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155619002 1317675979 /nfs/dbraw/zinc/67/59/79/1317675979.db2.gz NNKHTDQWJJVYIJ-MADCSZMMSA-N 1 0 348.190 2.015 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nc2c1 ZINC001155823673 1317748752 /nfs/dbraw/zinc/74/87/52/1317748752.db2.gz CSORKRGROYSGAE-DOTOQJQBSA-N 1 0 343.387 2.251 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1F ZINC001156086845 1317871140 /nfs/dbraw/zinc/87/11/40/1317871140.db2.gz MONQKKHLOKVBPF-UHFFFAOYSA-N 1 0 338.364 2.100 20 5 EEBDRO CCC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC001254545380 1318117195 /nfs/dbraw/zinc/11/71/95/1318117195.db2.gz MXJSCZSIBPTVDS-ZDUSSCGKSA-N 1 0 340.445 2.473 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254551019 1318119317 /nfs/dbraw/zinc/11/93/17/1318119317.db2.gz VMTGGMAKDOPKGW-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001254573851 1318128111 /nfs/dbraw/zinc/12/81/11/1318128111.db2.gz CYJRHZIIYYZUGI-MRXNPFEDSA-N 1 0 343.358 2.221 20 5 EEBDRO COc1ccc(C[C@@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577056 1318128339 /nfs/dbraw/zinc/12/83/39/1318128339.db2.gz BVXKHAYYYRAQJK-IRXDYDNUSA-N 1 0 342.395 2.264 20 5 EEBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586624 1318134052 /nfs/dbraw/zinc/13/40/52/1318134052.db2.gz RAGIDJQXBHIYPA-CABCVRRESA-N 1 0 331.416 2.299 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254588839 1318136068 /nfs/dbraw/zinc/13/60/68/1318136068.db2.gz IXHGGZSXFUXOIL-CYBMUJFWSA-N 1 0 331.397 2.143 20 5 EEBDRO CC(C)C(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598604 1318139092 /nfs/dbraw/zinc/13/90/92/1318139092.db2.gz IFRIBTIRCAETQX-KRWDZBQOSA-N 1 0 331.416 2.299 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@@H]3C[C@H]1[C@@H](C(F)(F)F)O3)C2 ZINC001254609574 1318143937 /nfs/dbraw/zinc/14/39/37/1318143937.db2.gz XOYQWUYXDCRYLW-XUXIUFHCSA-N 1 0 328.290 2.466 20 5 EEBDRO Nc1nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001157435472 1318638135 /nfs/dbraw/zinc/63/81/35/1318638135.db2.gz PPDVIQOIWBNTRG-AWEZNQCLSA-N 1 0 327.388 2.331 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCN(C)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100838 1318647336 /nfs/dbraw/zinc/64/73/36/1318647336.db2.gz PXLDCIUGPAARCD-CQSZACIVSA-N 1 0 348.447 2.208 20 5 EEBDRO Cc1c(C)c(N(c2cnccn2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157542293 1318705480 /nfs/dbraw/zinc/70/54/80/1318705480.db2.gz YJIOBHKJWDYYCA-UHFFFAOYSA-N 1 0 328.376 2.287 20 5 EEBDRO C=Cc1ccc(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cc1 ZINC001157771048 1318849226 /nfs/dbraw/zinc/84/92/26/1318849226.db2.gz DAKRGCFJTAQCQW-UHFFFAOYSA-N 1 0 340.387 2.050 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC[C@](F)(C[NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001157816343 1318881555 /nfs/dbraw/zinc/88/15/55/1318881555.db2.gz ACZKKTKFDQMFRH-INIZCTEOSA-N 1 0 331.351 2.237 20 5 EEBDRO COc1cccc(N(c2ncc(F)cc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001158054293 1318987274 /nfs/dbraw/zinc/98/72/74/1318987274.db2.gz LIBNKHZKRYKDPV-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158200002 1319074140 /nfs/dbraw/zinc/07/41/40/1319074140.db2.gz IOKZPCKGXCROKB-QMMMGPOBSA-N 1 0 331.829 2.338 20 5 EEBDRO C[NH+]1CC2(CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001158868152 1319479015 /nfs/dbraw/zinc/47/90/15/1319479015.db2.gz IPZXBAQCPZFPLZ-UHFFFAOYSA-N 1 0 345.790 2.457 20 5 EEBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159453181 1319811515 /nfs/dbraw/zinc/81/15/15/1319811515.db2.gz UMEHPGYVOAFBHJ-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001162666641 1320924690 /nfs/dbraw/zinc/92/46/90/1320924690.db2.gz JJKGIASFVSDIRR-DGCLKSJQSA-N 1 0 341.371 2.404 20 5 EEBDRO Cc1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c([N+](=O)[O-])cc1Br ZINC001163203665 1321066493 /nfs/dbraw/zinc/06/64/93/1321066493.db2.gz OAKOHADTHDUYCF-NOZJJQNGSA-N 1 0 342.193 2.209 20 5 EEBDRO COc1nc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ccc1[N+](=O)[O-] ZINC001163215371 1321069130 /nfs/dbraw/zinc/06/91/30/1321069130.db2.gz INNQAAKTXUIAMK-UHFFFAOYSA-N 1 0 325.328 2.310 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277792 1321085827 /nfs/dbraw/zinc/08/58/27/1321085827.db2.gz GRRSMAZVJRODHW-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]2C1 ZINC001165148748 1321465594 /nfs/dbraw/zinc/46/55/94/1321465594.db2.gz KDGPOMOTJUIPHL-BETUJISGSA-N 1 0 325.372 2.050 20 5 EEBDRO CC(C)[N@@H+]1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165200029 1321469969 /nfs/dbraw/zinc/46/99/69/1321469969.db2.gz SKPGVYAHCDOXID-LMVHVUTASA-N 1 0 333.436 2.441 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165418311 1321521727 /nfs/dbraw/zinc/52/17/27/1321521727.db2.gz PSBBMQAIHSNDHZ-QAPCUYQASA-N 1 0 339.399 2.156 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ncnc(NCC3C[NH+](Cc4ccccc4)C3)c12 ZINC001165426796 1321523442 /nfs/dbraw/zinc/52/34/42/1321523442.db2.gz BKGMCPZPUZDDHN-UHFFFAOYSA-N 1 0 338.371 2.362 20 5 EEBDRO N=c1sc2c(n1-c1nccc3ccc([N+](=O)[O-])cc31)CC[NH2+]C2 ZINC001166860105 1321803564 /nfs/dbraw/zinc/80/35/64/1321803564.db2.gz KHCDYOCQVLSQIS-UHFFFAOYSA-N 1 0 327.369 2.120 20 5 EEBDRO CN(C[C@@H]1CC[NH2+]C1)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001166957516 1321825602 /nfs/dbraw/zinc/82/56/02/1321825602.db2.gz DHFJXLSRHGNEFC-ZCFIWIBFSA-N 1 0 339.705 2.103 20 5 EEBDRO CC/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001204663142 1322205221 /nfs/dbraw/zinc/20/52/21/1322205221.db2.gz SWCPBZJDSLSHOZ-ACAGNQJTSA-N 1 0 349.435 2.013 20 5 EEBDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)cn2)CC1 ZINC001209932003 1325101968 /nfs/dbraw/zinc/10/19/68/1325101968.db2.gz IAFSNPOCXFGJJL-UHFFFAOYSA-N 1 0 328.376 2.067 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)cn1 ZINC001320577296 1332914555 /nfs/dbraw/zinc/91/45/55/1332914555.db2.gz XSHGKKAMLRIMDV-LBPRGKRZSA-N 1 0 335.795 2.350 20 5 EEBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+](C)C ZINC001609093098 1351839505 /nfs/dbraw/zinc/83/95/05/1351839505.db2.gz OZZYESOEHJUXQI-LBPRGKRZSA-N 1 0 333.396 2.163 20 5 EEBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609213193 1351894657 /nfs/dbraw/zinc/89/46/57/1351894657.db2.gz OLGZQESQRYZNCW-UHFFFAOYSA-N 1 0 347.423 2.333 20 5 EEBDRO C[NH+](C)CCn1nccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001332411484 1335819673 /nfs/dbraw/zinc/81/96/73/1335819673.db2.gz XTYAKSXMINXAHN-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001609602580 1352032083 /nfs/dbraw/zinc/03/20/83/1352032083.db2.gz WTLSKINLLWHRTD-MRVPVSSYSA-N 1 0 342.281 2.159 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001335718515 1336417326 /nfs/dbraw/zinc/41/73/26/1336417326.db2.gz ZYELSRGEOQOOKF-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO Cc1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC001338520645 1336871732 /nfs/dbraw/zinc/87/17/32/1336871732.db2.gz XUIATSOGSODXAR-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)CC1 ZINC001339339096 1336990634 /nfs/dbraw/zinc/99/06/34/1336990634.db2.gz KANKFCDGSFCCKK-LBPRGKRZSA-N 1 0 348.407 2.387 20 5 EEBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001341064046 1337278721 /nfs/dbraw/zinc/27/87/21/1337278721.db2.gz LREHALKRADRGFA-UHFFFAOYSA-N 1 0 326.356 2.389 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582799 1338724637 /nfs/dbraw/zinc/72/46/37/1338724637.db2.gz JVXZYFDLLRLQLX-LLVKDONJSA-N 1 0 343.330 2.024 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC001357208617 1338972152 /nfs/dbraw/zinc/97/21/52/1338972152.db2.gz ARHMCOVUZGWRJW-GOEBONIOSA-N 1 0 332.331 2.361 20 5 EEBDRO CC(C)CSCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575616874 1343842566 /nfs/dbraw/zinc/84/25/66/1343842566.db2.gz GADHUXRSFSJHSX-HNNXBMFYSA-N 1 0 325.434 2.274 20 5 EEBDRO CN(C)c1ccc(COC(=O)[C@@H]2C[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001578426108 1344277984 /nfs/dbraw/zinc/27/79/84/1344277984.db2.gz UGZYCUDORZJNIP-AWEZNQCLSA-N 1 0 347.415 2.484 20 5 EEBDRO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC001579480419 1344387353 /nfs/dbraw/zinc/38/73/53/1344387353.db2.gz NTIGLFLVAXNQLT-JTQLQIEISA-N 1 0 327.331 2.191 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734123 1344410582 /nfs/dbraw/zinc/41/05/82/1344410582.db2.gz OOKWHSWGZVKGFC-KDOFPFPSSA-N 1 0 346.431 2.293 20 5 EEBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001580289044 1344507186 /nfs/dbraw/zinc/50/71/86/1344507186.db2.gz JKTBQGGWSNFUBI-GFCCVEGCSA-N 1 0 340.383 2.345 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001589137322 1348964757 /nfs/dbraw/zinc/96/47/57/1348964757.db2.gz YKDLTFXZRNYVFO-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO C[C@@H](CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589876079 1349054247 /nfs/dbraw/zinc/05/42/47/1349054247.db2.gz NRFTWPXCDZINRY-JTQLQIEISA-N 1 0 349.370 2.058 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001591730530 1349536617 /nfs/dbraw/zinc/53/66/17/1349536617.db2.gz UYLDUGSFMXIMHO-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001593466454 1349803639 /nfs/dbraw/zinc/80/36/39/1349803639.db2.gz CMQKQDOEHZHNCZ-UHFFFAOYSA-N 1 0 338.318 2.396 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000852288158 1369258863 /nfs/dbraw/zinc/25/88/63/1369258863.db2.gz SFZNHEJBBNOCKP-MSOLQXFVSA-N 1 0 330.384 2.164 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@]1(C)CO ZINC000852701207 1369294905 /nfs/dbraw/zinc/29/49/05/1369294905.db2.gz AAIKDBMEZUFXEQ-BDJLRTHQSA-N 1 0 339.367 2.013 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCSC1 ZINC000267081586 1369729722 /nfs/dbraw/zinc/72/97/22/1369729722.db2.gz KNAHEXDMBFBWAC-GFCCVEGCSA-N 1 0 327.435 2.153 20 5 EEBDRO Cc1ccc(N(C)CCCN(C)C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001112165014 1371358224 /nfs/dbraw/zinc/35/82/24/1371358224.db2.gz ROGJFXYWJFKLRT-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087884 1371858877 /nfs/dbraw/zinc/85/88/77/1371858877.db2.gz YWGRKGFQCTWEQY-SUEZIIGKSA-N 1 0 335.448 2.415 20 5 EEBDRO C[C@H](COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001123222667 1372110948 /nfs/dbraw/zinc/11/09/48/1372110948.db2.gz WZUKZDQYARNWJY-NSHDSACASA-N 1 0 342.779 2.373 20 5 EEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581071 1373158472 /nfs/dbraw/zinc/15/84/72/1373158472.db2.gz LEZIXHGJVBLOIX-NSHDSACASA-N 1 0 343.330 2.024 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848794283 1373182517 /nfs/dbraw/zinc/18/25/17/1373182517.db2.gz QKICRFQESNBTPW-INIZCTEOSA-N 1 0 349.431 2.432 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576381725 1403568878 /nfs/dbraw/zinc/56/88/78/1403568878.db2.gz FHXWKFHRUOKYNC-OLZOCXBDSA-N 1 0 341.795 2.259 20 5 EEBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001576475963 1403576473 /nfs/dbraw/zinc/57/64/73/1403576473.db2.gz CZXPIBZPGPQKNX-CYBMUJFWSA-N 1 0 328.372 2.058 20 5 EEBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001580265775 1403855648 /nfs/dbraw/zinc/85/56/48/1403855648.db2.gz QOPHHDWPCKERFY-LBPRGKRZSA-N 1 0 347.396 2.236 20 5 EEBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(F)c1 ZINC001167205449 757498177 /nfs/dbraw/zinc/49/81/77/757498177.db2.gz HTSASKQSCYZZNQ-DYVFJYSZSA-N 1 0 328.347 2.106 20 5 EEBDRO COC(=O)Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1[N+](=O)[O-] ZINC001167314572 757913357 /nfs/dbraw/zinc/91/33/57/757913357.db2.gz XMSKPIAAIHNNLU-UHFFFAOYSA-N 1 0 340.339 2.108 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001167366137 758151165 /nfs/dbraw/zinc/15/11/65/758151165.db2.gz XKLORUUPROBUMS-UHFFFAOYSA-N 1 0 330.388 2.449 20 5 EEBDRO CSCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981607894 777767900 /nfs/dbraw/zinc/76/79/00/777767900.db2.gz HUSUMPYOTUOVBV-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC000981763282 778158425 /nfs/dbraw/zinc/15/84/25/778158425.db2.gz FVNONDCWURJCCU-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278462 779501232 /nfs/dbraw/zinc/50/12/32/779501232.db2.gz DQEPONYFBZLODD-AHCXZYCDSA-N 1 0 337.464 2.258 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091470236 790939993 /nfs/dbraw/zinc/93/99/93/790939993.db2.gz YPALRSCDWSWMHA-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO CCCn1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001135710230 784277369 /nfs/dbraw/zinc/27/73/69/784277369.db2.gz YWYQCPPFQLWVFI-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CC(C)(CC(F)F)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129162349 784329074 /nfs/dbraw/zinc/32/90/74/784329074.db2.gz FXEPKHQZQJLUJB-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000997772610 791045161 /nfs/dbraw/zinc/04/51/61/791045161.db2.gz PAWSKDCESJRQQS-IAGOWNOFSA-N 1 0 349.475 2.450 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818022069 785148679 /nfs/dbraw/zinc/14/86/79/785148679.db2.gz PYKQPDWENWAREI-UHFFFAOYSA-N 1 0 348.172 2.354 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000818532143 785273607 /nfs/dbraw/zinc/27/36/07/785273607.db2.gz SCBSGJFYFULWIQ-SNVBAGLBSA-N 1 0 329.759 2.188 20 5 EEBDRO C[C@H](O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000819130172 785435916 /nfs/dbraw/zinc/43/59/16/785435916.db2.gz GSLLTBICOMKBDN-BBRMVZONSA-N 1 0 346.383 2.178 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1 ZINC000819210087 785472026 /nfs/dbraw/zinc/47/20/26/785472026.db2.gz RMSVAEPQWNSXNC-HOTGVXAUSA-N 1 0 336.388 2.294 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000819265105 785497722 /nfs/dbraw/zinc/49/77/22/785497722.db2.gz BHFFULSDTMLIPX-MAUKXSAKSA-N 1 0 328.368 2.481 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000819265794 785500042 /nfs/dbraw/zinc/50/00/42/785500042.db2.gz IYIUCQUTTSMLED-YJBOKZPZSA-N 1 0 328.368 2.481 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000805753732 786440257 /nfs/dbraw/zinc/44/02/57/786440257.db2.gz RVPGTHRLUMMQJG-QZTJIDSGSA-N 1 0 343.383 2.314 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001107239811 786593348 /nfs/dbraw/zinc/59/33/48/786593348.db2.gz YGNYUTFEBWRFHE-ARJAWSKDSA-N 1 0 346.431 2.329 20 5 EEBDRO O=C(c1cc[nH]c1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996633672 786895685 /nfs/dbraw/zinc/89/56/85/786895685.db2.gz NFRCLYDVGCCHDD-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000911707998 787668472 /nfs/dbraw/zinc/66/84/72/787668472.db2.gz RUELQNYUQMZDEE-LLVKDONJSA-N 1 0 325.796 2.378 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000823770861 787928718 /nfs/dbraw/zinc/92/87/18/787928718.db2.gz JVMVEJLCHRNKOY-DZGCQCFKSA-N 1 0 349.412 2.109 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939441 787994141 /nfs/dbraw/zinc/99/41/41/787994141.db2.gz UIKIPDQXOIAADV-SMDDNHRTSA-N 1 0 333.392 2.268 20 5 EEBDRO CC1CC[NH+](CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825117402 788444629 /nfs/dbraw/zinc/44/46/29/788444629.db2.gz CIXMXRNQPYTSMX-KRWDZBQOSA-N 1 0 349.431 2.257 20 5 EEBDRO Cc1cnoc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997140707 789084725 /nfs/dbraw/zinc/08/47/25/789084725.db2.gz IFWFGFCCFJGAGO-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1csc(Cl)n1 ZINC001146813748 791500626 /nfs/dbraw/zinc/50/06/26/791500626.db2.gz JSQZOBCUAMOBJK-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC001147516236 791853205 /nfs/dbraw/zinc/85/32/05/791853205.db2.gz LSMHWAASFGPBBZ-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO Cc1ccc(NCCNC(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001093671409 795566052 /nfs/dbraw/zinc/56/60/52/795566052.db2.gz XBGHFFWMIREZRK-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO COC(=O)COc1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000921790996 795992347 /nfs/dbraw/zinc/99/23/47/795992347.db2.gz IJPMHRFEQGWJCL-UHFFFAOYSA-N 1 0 344.367 2.479 20 5 EEBDRO Cc1cnc(NCCCNC(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001094455026 796264753 /nfs/dbraw/zinc/26/47/53/796264753.db2.gz GXXXPOGCWKSGHN-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CCc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001171548865 796636246 /nfs/dbraw/zinc/63/62/46/796636246.db2.gz JHEWWBWTKRWEHX-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO CS(=O)(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902117 797129952 /nfs/dbraw/zinc/12/99/52/797129952.db2.gz VLTWOGTZOUOZPY-FMKPAKJESA-N 1 0 338.429 2.007 20 5 EEBDRO CC(C)(C)[N@H+](C[C@@H](O)CO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903681 797130970 /nfs/dbraw/zinc/13/09/70/797130970.db2.gz INCJPDSPXHLGJC-DOTOQJQBSA-N 1 0 336.432 2.296 20 5 EEBDRO C[NH+](C)C1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009880 797195486 /nfs/dbraw/zinc/19/54/86/797195486.db2.gz IUTQYLUFPLPYOL-UHFFFAOYSA-N 1 0 340.374 2.088 20 5 EEBDRO C[N@H+](C1COC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018260 797199003 /nfs/dbraw/zinc/19/90/03/797199003.db2.gz QPKGKVZDBYDYKH-UHFFFAOYSA-N 1 0 327.331 2.172 20 5 EEBDRO COC(=O)C[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185186 797280425 /nfs/dbraw/zinc/28/04/25/797280425.db2.gz WCCVVNFJFPBOSJ-ZJUUUORDSA-N 1 0 328.340 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2nccn2C)c1F ZINC001173186000 797281145 /nfs/dbraw/zinc/28/11/45/797281145.db2.gz QSVIHDKZHMJZDR-NSHDSACASA-N 1 0 336.367 2.239 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC([NH+]3CCCC3)C2)c1F ZINC001173191040 797282072 /nfs/dbraw/zinc/28/20/72/797282072.db2.gz ZUGOYAIZCWCHHF-LBPRGKRZSA-N 1 0 337.395 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH+]3CCC2CC3)c1F ZINC001173196803 797283747 /nfs/dbraw/zinc/28/37/47/797283747.db2.gz PBLJICSUOAMMMO-GFCCVEGCSA-N 1 0 337.395 2.454 20 5 EEBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225575 797309709 /nfs/dbraw/zinc/30/97/09/797309709.db2.gz SAUHKAKKZKFJTM-WQVCFCJDSA-N 1 0 336.388 2.084 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001173225995 797310007 /nfs/dbraw/zinc/31/00/07/797310007.db2.gz GWROZBXPMIZOOE-QAPCUYQASA-N 1 0 333.432 2.322 20 5 EEBDRO CCNC(=O)COC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173237489 797323193 /nfs/dbraw/zinc/32/31/93/797323193.db2.gz KODQXLMKEVUEQZ-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001095235661 797568848 /nfs/dbraw/zinc/56/88/48/797568848.db2.gz GLTWKMWHCLMCTG-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000916967668 798003246 /nfs/dbraw/zinc/00/32/46/798003246.db2.gz UJSISICWUXFHTI-HUUCEWRRSA-N 1 0 338.310 2.230 20 5 EEBDRO O=C(Cc1ccc[nH]1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004187768 801216263 /nfs/dbraw/zinc/21/62/63/801216263.db2.gz INYSZCBLQKORSZ-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO CC(C)(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589124 801540061 /nfs/dbraw/zinc/54/00/61/801540061.db2.gz HLZXHIFSTROTPG-QKPAOTATSA-N 1 0 337.464 2.258 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc4ncccc4c3[N+](=O)[O-])n2)c1 ZINC001168884308 803500561 /nfs/dbraw/zinc/50/05/61/803500561.db2.gz IJBRRTAVJPRPFE-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168985881 803548962 /nfs/dbraw/zinc/54/89/62/803548962.db2.gz VJDKGTNPERZLCN-LSDHHAIUSA-N 1 0 325.453 2.306 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964195 803552058 /nfs/dbraw/zinc/55/20/58/803552058.db2.gz RTTKWOHKWQGIAU-DGAVXFQQSA-N 1 0 327.425 2.277 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001213 803566516 /nfs/dbraw/zinc/56/65/16/803566516.db2.gz DOMQYUPALAODLG-XUXIUFHCSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009693 803570144 /nfs/dbraw/zinc/57/01/44/803570144.db2.gz XHAVJBAEMKLTFD-RDBSUJKOSA-N 1 0 327.425 2.421 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169011719 803571202 /nfs/dbraw/zinc/57/12/02/803571202.db2.gz MHYJJSHQWYHBTE-MGPQQGTHSA-N 1 0 327.425 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169012227 803571218 /nfs/dbraw/zinc/57/12/18/803571218.db2.gz OTLDCOYEKPFVFO-APIJFGDWSA-N 1 0 339.436 2.231 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169012231 803571315 /nfs/dbraw/zinc/57/13/15/803571315.db2.gz OTLDCOYEKPFVFO-BYNSBNAKSA-N 1 0 339.436 2.231 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013411 803571422 /nfs/dbraw/zinc/57/14/22/803571422.db2.gz UXDRSNVOWFRAEC-KGLIPLIRSA-N 1 0 339.436 2.375 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991333 803574498 /nfs/dbraw/zinc/57/44/98/803574498.db2.gz GJAQLWUQMBTDBL-MAZHCROVSA-N 1 0 335.379 2.075 20 5 EEBDRO COc1cccc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169051281 803595208 /nfs/dbraw/zinc/59/52/08/803595208.db2.gz CRBXLSRJRMKJLD-KBPBESRZSA-N 1 0 335.404 2.379 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+]1CCCCC1 ZINC001109465710 805509030 /nfs/dbraw/zinc/50/90/30/805509030.db2.gz PYNBWPKKVMLRMH-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@@H]1C ZINC000787238172 807063536 /nfs/dbraw/zinc/06/35/36/807063536.db2.gz JZDSICWTDMGEIY-WBMJQRKESA-N 1 0 344.371 2.299 20 5 EEBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788605251 807601126 /nfs/dbraw/zinc/60/11/26/807601126.db2.gz WFTPWZXTKDLDGS-LBPRGKRZSA-N 1 0 342.399 2.430 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1 ZINC000791964829 809530254 /nfs/dbraw/zinc/53/02/54/809530254.db2.gz PQMIBYKEDJXOJT-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 ZINC001170297143 809869766 /nfs/dbraw/zinc/86/97/66/809869766.db2.gz KKFYVUVALRKUDY-LBPRGKRZSA-N 1 0 343.383 2.423 20 5 EEBDRO CCOC(=O)C1(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170297859 809870441 /nfs/dbraw/zinc/87/04/41/809870441.db2.gz UNQGJWDHSKHZIL-LBPRGKRZSA-N 1 0 336.388 2.467 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)nn2)c([N+](=O)[O-])c1 ZINC001170304299 809873413 /nfs/dbraw/zinc/87/34/13/809873413.db2.gz BDIBZSZTVSHWEC-NSHDSACASA-N 1 0 332.360 2.123 20 5 EEBDRO COc1ccc(C[C@@H](C)n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001170305541 809875193 /nfs/dbraw/zinc/87/51/93/809875193.db2.gz MVJNBLPHDIPXHM-BXUZGUMPSA-N 1 0 330.388 2.420 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ncn(C)c3C2)c([N+](=O)[O-])c1 ZINC001170354390 809902938 /nfs/dbraw/zinc/90/29/38/809902938.db2.gz KPFYMHIOIQNIEA-GFCCVEGCSA-N 1 0 330.388 2.326 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)C1 ZINC000793766521 810503280 /nfs/dbraw/zinc/50/32/80/810503280.db2.gz LNYCSARNXMVMOL-SFHVURJKSA-N 1 0 341.415 2.443 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001130140593 811214354 /nfs/dbraw/zinc/21/43/54/811214354.db2.gz XPOYVGZMIFECDG-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO COCc1sccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130255900 811354868 /nfs/dbraw/zinc/35/48/68/811354868.db2.gz YTTIOXYZRIFALF-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO [NH2+]=C(NOCCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 ZINC000808261775 812562675 /nfs/dbraw/zinc/56/26/75/812562675.db2.gz YADJDDYOEOBJAT-INIZCTEOSA-N 1 0 343.339 2.476 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170571564 812985713 /nfs/dbraw/zinc/98/57/13/812985713.db2.gz MYAHLPGNDSTFAQ-JOYOIKCWSA-N 1 0 329.784 2.354 20 5 EEBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C)c1[N+](=O)[O-] ZINC000102344672 219196535 /nfs/dbraw/zinc/19/65/35/219196535.db2.gz MXTVKSCPVYFECU-ZDUSSCGKSA-N 1 0 346.391 2.275 20 5 EEBDRO C[NH+](C)CC1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181352089 234160558 /nfs/dbraw/zinc/16/05/58/234160558.db2.gz NDNFMQCMLGIQBR-UHFFFAOYSA-N 1 0 349.387 2.174 20 5 EEBDRO [NH3+][C@H](CNc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000129318146 223043465 /nfs/dbraw/zinc/04/34/65/223043465.db2.gz KFINSAKFWVIWJP-SECBINFHSA-N 1 0 347.156 2.349 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000228668159 201039857 /nfs/dbraw/zinc/03/98/57/201039857.db2.gz IBJVDGOPDRSLHK-LBPRGKRZSA-N 1 0 332.198 2.082 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000027765703 201063824 /nfs/dbraw/zinc/06/38/24/201063824.db2.gz YFFLOMVNIWBKOI-NSHDSACASA-N 1 0 331.376 2.075 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000047405721 201108708 /nfs/dbraw/zinc/10/87/08/201108708.db2.gz SGJXZDRNJDCSBW-CYBMUJFWSA-N 1 0 333.388 2.343 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236875116 201147195 /nfs/dbraw/zinc/14/71/95/201147195.db2.gz HDLBDUMXYXZEQJ-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261812540 201198919 /nfs/dbraw/zinc/19/89/19/201198919.db2.gz RRKBODHTMKNEFV-AEFFLSMTSA-N 1 0 339.395 2.338 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420477176 239834857 /nfs/dbraw/zinc/83/48/57/239834857.db2.gz ZJOJPTVBNZWJAD-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422686891 240175546 /nfs/dbraw/zinc/17/55/46/240175546.db2.gz AZDAOEIRIAAHNJ-UHFFFAOYSA-N 1 0 339.370 2.302 20 5 EEBDRO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000193497303 240187534 /nfs/dbraw/zinc/18/75/34/240187534.db2.gz VYVBMXPODIXRJQ-INIZCTEOSA-N 1 0 342.399 2.356 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000229927691 242216709 /nfs/dbraw/zinc/21/67/09/242216709.db2.gz BAPHQTBYPSUEKM-FRFSOERESA-N 1 0 330.388 2.030 20 5 EEBDRO Cc1[nH]nc2ncc(CNCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc12 ZINC000446831764 242224714 /nfs/dbraw/zinc/22/47/14/242224714.db2.gz IOAMUMWAIRCFJW-UHFFFAOYSA-N 1 0 337.343 2.341 20 5 EEBDRO CS[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451322589 243078983 /nfs/dbraw/zinc/07/89/83/243078983.db2.gz GDITUXJBZLPBCE-LBPRGKRZSA-N 1 0 337.401 2.330 20 5 EEBDRO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554462 243155955 /nfs/dbraw/zinc/15/59/55/243155955.db2.gz ZUGLRXUVAMHHDF-GDBMZVCRSA-N 1 0 349.431 2.315 20 5 EEBDRO O=C(CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451698055 243210279 /nfs/dbraw/zinc/21/02/79/243210279.db2.gz RPIMXIUXRUXHQJ-RDBSUJKOSA-N 1 0 333.388 2.016 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452134797 243350923 /nfs/dbraw/zinc/35/09/23/243350923.db2.gz VCHYXEJIJGBGTH-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459764434 245239988 /nfs/dbraw/zinc/23/99/88/245239988.db2.gz ONUPXJZADPDSEN-HUUCEWRRSA-N 1 0 349.387 2.089 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000155485936 206009607 /nfs/dbraw/zinc/00/96/07/206009607.db2.gz UDKISLVNRNHETK-VIFPVBQESA-N 1 0 344.209 2.461 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000494718470 247011210 /nfs/dbraw/zinc/01/12/10/247011210.db2.gz BNQSEUNMWLKKOZ-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCC[NH3+])cc1OC ZINC000495143011 247074161 /nfs/dbraw/zinc/07/41/61/247074161.db2.gz UKBBTZFXLVKCFK-LLVKDONJSA-N 1 0 339.392 2.249 20 5 EEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](C2CCC2)CC1 ZINC000264960351 247089104 /nfs/dbraw/zinc/08/91/04/247089104.db2.gz MBBHSYGRPLHRTD-UHFFFAOYSA-N 1 0 328.372 2.386 20 5 EEBDRO Cc1c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265220035 247310474 /nfs/dbraw/zinc/31/04/74/247310474.db2.gz GOBLQIDUVGBJGG-MRXNPFEDSA-N 1 0 340.420 2.138 20 5 EEBDRO CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174952319 207075614 /nfs/dbraw/zinc/07/56/14/207075614.db2.gz IUJQTFJSLWGLLT-KRWDZBQOSA-N 1 0 343.431 2.388 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000176695396 207251616 /nfs/dbraw/zinc/25/16/16/207251616.db2.gz XHTDQCPZSDUCOB-HUUCEWRRSA-N 1 0 349.431 2.143 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267201285 256037143 /nfs/dbraw/zinc/03/71/43/256037143.db2.gz FXHLVRZBISERBL-SECBINFHSA-N 1 0 329.198 2.140 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+](C)C ZINC000271178773 256216603 /nfs/dbraw/zinc/21/66/03/256216603.db2.gz UHLCOFHFXYMFRI-WFASDCNBSA-N 1 0 349.412 2.459 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+](C)C ZINC000271178770 256216304 /nfs/dbraw/zinc/21/63/04/256216304.db2.gz UHLCOFHFXYMFRI-DOMZBBRYSA-N 1 0 349.412 2.459 20 5 EEBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271725244 256238004 /nfs/dbraw/zinc/23/80/04/256238004.db2.gz RBKVJSUDQHZRTC-GJZGRUSLSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273054848 256261257 /nfs/dbraw/zinc/26/12/57/256261257.db2.gz XUIGIOWODOCOSE-LBPRGKRZSA-N 1 0 335.429 2.454 20 5 EEBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273670518 256316993 /nfs/dbraw/zinc/31/69/93/256316993.db2.gz XOQVWJHZYIXFIA-UHFFFAOYSA-N 1 0 331.376 2.327 20 5 EEBDRO CCCC[N@H+](CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273405512 256294017 /nfs/dbraw/zinc/29/40/17/256294017.db2.gz WUMGFLWDSQTYSF-AWEZNQCLSA-N 1 0 326.393 2.083 20 5 EEBDRO COCCOCCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274669794 256378265 /nfs/dbraw/zinc/37/82/65/256378265.db2.gz OXRJLPIHHCSKEI-AWEZNQCLSA-N 1 0 326.393 2.315 20 5 EEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000276323077 256421294 /nfs/dbraw/zinc/42/12/94/256421294.db2.gz ZEJBATFGRDRAAX-UHFFFAOYSA-N 1 0 342.399 2.211 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000054131220 132190408 /nfs/dbraw/zinc/19/04/08/132190408.db2.gz HWACTVASSQSIDX-UHFFFAOYSA-N 1 0 330.319 2.091 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647806 292140231 /nfs/dbraw/zinc/14/02/31/292140231.db2.gz XBNCQPCIHGLIBF-UHFFFAOYSA-N 1 0 336.436 2.367 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000189078383 285968771 /nfs/dbraw/zinc/96/87/71/285968771.db2.gz AWOOBLSIXNQTIM-ZDUSSCGKSA-N 1 0 348.403 2.231 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000078562993 292192118 /nfs/dbraw/zinc/19/21/18/292192118.db2.gz UCNPDIAMXXVZBV-AWEZNQCLSA-N 1 0 347.415 2.342 20 5 EEBDRO CC[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000117306908 292236902 /nfs/dbraw/zinc/23/69/02/292236902.db2.gz BIMPXFORJKVIFX-KXPUMZMLSA-N 1 0 347.415 2.177 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000352226156 153012973 /nfs/dbraw/zinc/01/29/73/153012973.db2.gz RWVPNMCDAIGBIU-LBPRGKRZSA-N 1 0 343.330 2.266 20 5 EEBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000084381381 159166584 /nfs/dbraw/zinc/16/65/84/159166584.db2.gz XLYYZLGUIAEWLM-UHFFFAOYSA-N 1 0 348.428 2.443 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000101952237 159258672 /nfs/dbraw/zinc/25/86/72/159258672.db2.gz YVRLKWHWCMNUIJ-NSHDSACASA-N 1 0 343.811 2.472 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193851134 160188337 /nfs/dbraw/zinc/18/83/37/160188337.db2.gz OKLMUKPVRKWKAC-CYBMUJFWSA-N 1 0 343.387 2.444 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345144 160745815 /nfs/dbraw/zinc/74/58/15/160745815.db2.gz RZMSQGYYJZBTOJ-NWDGAFQWSA-N 1 0 335.335 2.219 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000341695594 161005887 /nfs/dbraw/zinc/00/58/87/161005887.db2.gz JDMZJTVJOBCSFK-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000342408447 161062909 /nfs/dbraw/zinc/06/29/09/161062909.db2.gz CDALOOYBEDUYNM-LXZKKBNFSA-N 1 0 335.379 2.471 20 5 EEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC[C@@H]1CCCO1 ZINC000342568242 161074914 /nfs/dbraw/zinc/07/49/14/161074914.db2.gz LASBAPHPCHSXLG-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO COC[C@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342699453 161083974 /nfs/dbraw/zinc/08/39/74/161083974.db2.gz IQTTVUJYVHOFNE-LSDHHAIUSA-N 1 0 338.404 2.083 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343443748 161136407 /nfs/dbraw/zinc/13/64/07/161136407.db2.gz CVEGOAVAEZMEIY-MRXNPFEDSA-N 1 0 325.409 2.497 20 5 EEBDRO CCc1cc(N[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343795850 161169228 /nfs/dbraw/zinc/16/92/28/161169228.db2.gz RRXPCIACEJMLAN-LBPRGKRZSA-N 1 0 329.404 2.398 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344099389 161198316 /nfs/dbraw/zinc/19/83/16/161198316.db2.gz AZCQMXKTYSVMRF-JGGQBBKZSA-N 1 0 335.379 2.471 20 5 EEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000344438431 161227550 /nfs/dbraw/zinc/22/75/50/161227550.db2.gz HYJJRHPMZWBEEU-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000352803004 162292761 /nfs/dbraw/zinc/29/27/61/162292761.db2.gz NHWBBGHMCXSOGM-ZBFHGGJFSA-N 1 0 346.431 2.400 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352825090 162301382 /nfs/dbraw/zinc/30/13/82/162301382.db2.gz ILUBSRBYNSNABR-JTQLQIEISA-N 1 0 332.303 2.126 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000355442409 163191608 /nfs/dbraw/zinc/19/16/08/163191608.db2.gz JWSLHKSXUXHQOQ-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@@H]1[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000368814510 166131691 /nfs/dbraw/zinc/13/16/91/166131691.db2.gz STPCNUDHRZEJKE-AWEZNQCLSA-N 1 0 347.415 2.449 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000369785054 166330222 /nfs/dbraw/zinc/33/02/22/166330222.db2.gz UMIRCMVTYWEMAZ-YOEHRIQHSA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375739144 167182094 /nfs/dbraw/zinc/18/20/94/167182094.db2.gz XNRZHMLCGBEUKR-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000272685309 269008883 /nfs/dbraw/zinc/00/88/83/269008883.db2.gz UFJZCSBAZHYVPJ-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000275175890 269101038 /nfs/dbraw/zinc/10/10/38/269101038.db2.gz CQTOWDAGYDEEMB-NSHDSACASA-N 1 0 340.811 2.341 20 5 EEBDRO O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000275520788 269120853 /nfs/dbraw/zinc/12/08/53/269120853.db2.gz VGEDOYMYWCVEAL-HUUCEWRRSA-N 1 0 337.351 2.316 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277623243 269164243 /nfs/dbraw/zinc/16/42/43/269164243.db2.gz WNJURGFUKAXUAB-HNNXBMFYSA-N 1 0 347.415 2.497 20 5 EEBDRO CC(C)(C)[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000278616314 269235811 /nfs/dbraw/zinc/23/58/11/269235811.db2.gz FRVHZLJXIWSAAD-ZDUSSCGKSA-N 1 0 327.356 2.059 20 5 EEBDRO CC1(C)C[C@H](NC[C@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052276 269258904 /nfs/dbraw/zinc/25/89/04/269258904.db2.gz KGFBDLBBWFBGRB-YOEHRIQHSA-N 1 0 333.432 2.364 20 5 EEBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189044717 274036230 /nfs/dbraw/zinc/03/62/30/274036230.db2.gz SYSDUSKGNAGPOI-UHFFFAOYSA-N 1 0 331.397 2.444 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000272092443 274165070 /nfs/dbraw/zinc/16/50/70/274165070.db2.gz YGUWURBDPUCAGD-HIFRSBDPSA-N 1 0 325.434 2.081 20 5 EEBDRO C[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000455450646 274221693 /nfs/dbraw/zinc/22/16/93/274221693.db2.gz WXZGXOPTZQKJTP-ZFWWWQNUSA-N 1 0 334.420 2.434 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000277411176 274291009 /nfs/dbraw/zinc/29/10/09/274291009.db2.gz HWXNEAOSYGPTDC-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000278398762 274352036 /nfs/dbraw/zinc/35/20/36/274352036.db2.gz GLGMWDXNRJTWRL-OAHLLOKOSA-N 1 0 333.432 2.370 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])cn2)CC1 ZINC000286055873 274831993 /nfs/dbraw/zinc/83/19/93/274831993.db2.gz IDJDICDJYITJIK-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000288543731 275068825 /nfs/dbraw/zinc/06/88/25/275068825.db2.gz VFGRFEDWDOBRNF-KBPBESRZSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600219 275074453 /nfs/dbraw/zinc/07/44/53/275074453.db2.gz YPDGTBFCTGQYIZ-IAQYHMDHSA-N 1 0 348.359 2.202 20 5 EEBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000290653314 275226314 /nfs/dbraw/zinc/22/63/14/275226314.db2.gz PBIFBKFFSSOVEV-LBPRGKRZSA-N 1 0 343.387 2.021 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000291676283 275328870 /nfs/dbraw/zinc/32/88/70/275328870.db2.gz YYXAWPMEDMTZPP-SNVBAGLBSA-N 1 0 326.372 2.166 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292776304 275477590 /nfs/dbraw/zinc/47/75/90/275477590.db2.gz VZTBCWWMMJCFHX-VIFPVBQESA-N 1 0 349.840 2.033 20 5 EEBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000342734619 275809056 /nfs/dbraw/zinc/80/90/56/275809056.db2.gz MAJGYYVNZLIGCE-RCBQFDQVSA-N 1 0 331.416 2.458 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434268 277276220 /nfs/dbraw/zinc/27/62/20/277276220.db2.gz YOASWHCAEJSYIC-VIFPVBQESA-N 1 0 329.198 2.188 20 5 EEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449596761 278315596 /nfs/dbraw/zinc/31/55/96/278315596.db2.gz YEDZYZOLDVJNHJ-UPJWGTAASA-N 1 0 334.420 2.297 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183578816 279322291 /nfs/dbraw/zinc/32/22/91/279322291.db2.gz SPOFFBHUIBRCAW-JHJVBQTASA-N 1 0 335.408 2.478 20 5 EEBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266542858 281372154 /nfs/dbraw/zinc/37/21/54/281372154.db2.gz QLJNWOLXCVPEDC-BFYDXBDKSA-N 1 0 344.415 2.339 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000353841407 289126149 /nfs/dbraw/zinc/12/61/49/289126149.db2.gz DAPRTYVUDAEOAK-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCOCC1 ZINC000153122664 289697070 /nfs/dbraw/zinc/69/70/70/289697070.db2.gz HAABYWOAYFOIMH-CRAIPNDOSA-N 1 0 347.459 2.474 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000338073866 290190221 /nfs/dbraw/zinc/19/02/21/290190221.db2.gz PRVGRNVYCKBPNB-LBPRGKRZSA-N 1 0 346.412 2.121 20 5 EEBDRO CCC(CC)(CCO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282555986 292833620 /nfs/dbraw/zinc/83/36/20/292833620.db2.gz XTCKIGRXCHTEKK-UHFFFAOYSA-N 1 0 335.404 2.015 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293095425 293123842 /nfs/dbraw/zinc/12/38/42/293123842.db2.gz XIGRRQJQWXKJJB-KBXCAEBGSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000293523840 293230232 /nfs/dbraw/zinc/23/02/32/293230232.db2.gz WIWKJRPSMNOTBJ-QGZVFWFLSA-N 1 0 344.415 2.298 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000293656720 293262466 /nfs/dbraw/zinc/26/24/66/293262466.db2.gz HKKJCNULKPCNPL-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293891993 293320069 /nfs/dbraw/zinc/32/00/69/293320069.db2.gz DLSSFGNFTSCOOS-OKILXGFUSA-N 1 0 334.420 2.338 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000293973616 293340595 /nfs/dbraw/zinc/34/05/95/293340595.db2.gz QYNSZRYGKVVOHI-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000294139318 293380014 /nfs/dbraw/zinc/38/00/14/293380014.db2.gz MTVABLQTNKBBMT-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO COC(=O)Cc1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000297026586 294133179 /nfs/dbraw/zinc/13/31/79/294133179.db2.gz HCIXGVXKFGVCGC-CQSZACIVSA-N 1 0 335.404 2.088 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)C1CC1 ZINC000297383394 294229113 /nfs/dbraw/zinc/22/91/13/294229113.db2.gz RGIPKZFJVAOOJU-ROUUACIJSA-N 1 0 347.459 2.352 20 5 EEBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000493765222 295406426 /nfs/dbraw/zinc/40/64/26/295406426.db2.gz YFICKSGZSCPBDW-AWFCHZOYSA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000320588548 311595440 /nfs/dbraw/zinc/59/54/40/311595440.db2.gz VJGWXOWHWBRFHT-HTQZYQBOSA-N 1 0 330.182 2.213 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332398728 312000945 /nfs/dbraw/zinc/00/09/45/312000945.db2.gz RBTWGQMIXOUXTK-PBHICJAKSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640218 312039003 /nfs/dbraw/zinc/03/90/03/312039003.db2.gz QUGIQVJZUNDCAJ-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411383765 312533082 /nfs/dbraw/zinc/53/30/82/312533082.db2.gz GTAWMDDDVOUTAS-LLVKDONJSA-N 1 0 341.383 2.132 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414654386 313057327 /nfs/dbraw/zinc/05/73/27/313057327.db2.gz JDDRTYVUCYQNMO-QJPTWQEYSA-N 1 0 334.376 2.113 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414951819 313114036 /nfs/dbraw/zinc/11/40/36/313114036.db2.gz QEORACCJMBRJKE-NSHDSACASA-N 1 0 344.318 2.458 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415498013 313132559 /nfs/dbraw/zinc/13/25/59/313132559.db2.gz IFZNNMQWGWBGCO-CHWSQXEVSA-N 1 0 348.403 2.457 20 5 EEBDRO CC(=O)N[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420947822 314007094 /nfs/dbraw/zinc/00/70/94/314007094.db2.gz DCLGKJDRJSREAL-AWEZNQCLSA-N 1 0 344.371 2.003 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421004631 314020924 /nfs/dbraw/zinc/02/09/24/314020924.db2.gz OKKHSYOOOWSONX-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421008954 314021854 /nfs/dbraw/zinc/02/18/54/314021854.db2.gz DWRYXKBKULDWSB-AWEZNQCLSA-N 1 0 338.404 2.467 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421019265 314027093 /nfs/dbraw/zinc/02/70/93/314027093.db2.gz PIUSHAANKWFVQX-KBPBESRZSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000421785305 314164383 /nfs/dbraw/zinc/16/43/83/314164383.db2.gz KIUKWZFKVMHPOG-HNNXBMFYSA-N 1 0 349.431 2.034 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429235767 314474049 /nfs/dbraw/zinc/47/40/49/314474049.db2.gz RSEROACIPBRPCV-CYBMUJFWSA-N 1 0 341.367 2.304 20 5 EEBDRO COc1cc(CN2CCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430558131 314545074 /nfs/dbraw/zinc/54/50/74/314545074.db2.gz YEVRMIGNHCLXTP-JTQLQIEISA-N 1 0 331.319 2.128 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000431043077 314608914 /nfs/dbraw/zinc/60/89/14/314608914.db2.gz AGYCFPNMBQFDQJ-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444678386 315316418 /nfs/dbraw/zinc/31/64/18/315316418.db2.gz WUSLPYPOOTWAJD-YOEHRIQHSA-N 1 0 348.403 2.127 20 5 EEBDRO C[NH+](C)C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000445843936 315362329 /nfs/dbraw/zinc/36/23/29/315362329.db2.gz WBKGCIZDNVBHFD-UHFFFAOYSA-N 1 0 332.404 2.147 20 5 EEBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000452077979 315490782 /nfs/dbraw/zinc/49/07/82/315490782.db2.gz CTTFTHNHRGTRRR-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459798195 315760631 /nfs/dbraw/zinc/76/06/31/315760631.db2.gz UALKTOMLEISLAF-LLVKDONJSA-N 1 0 347.375 2.016 20 5 EEBDRO CC(C)(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000516785444 316594078 /nfs/dbraw/zinc/59/40/78/316594078.db2.gz YGAXOPNKVZHDRF-ZDUSSCGKSA-N 1 0 326.418 2.385 20 5 EEBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556639 316674173 /nfs/dbraw/zinc/67/41/73/316674173.db2.gz MRCOQTNXCQNXGD-GUYCJALGSA-N 1 0 346.383 2.261 20 5 EEBDRO C[C@@H]1CN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000532215459 317848285 /nfs/dbraw/zinc/84/82/85/317848285.db2.gz RHRRDDLFFDMVHT-PBHICJAKSA-N 1 0 333.432 2.226 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000540908450 318082711 /nfs/dbraw/zinc/08/27/11/318082711.db2.gz UFUOZRNNIJHKMV-JTQLQIEISA-N 1 0 343.330 2.268 20 5 EEBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541982655 318119733 /nfs/dbraw/zinc/11/97/33/318119733.db2.gz LXRFLTXIYIMOKQ-KRWDZBQOSA-N 1 0 343.383 2.473 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000543792469 318174469 /nfs/dbraw/zinc/17/44/69/318174469.db2.gz VKXCBVNIFFWABX-INIZCTEOSA-N 1 0 347.463 2.211 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC([NH2+]CCO)CC1 ZINC000548745000 318409103 /nfs/dbraw/zinc/40/91/03/318409103.db2.gz OZFIQNBYPHKFLA-UHFFFAOYSA-N 1 0 334.203 2.452 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2cnnc2C2CC2)n1 ZINC000562499084 318889069 /nfs/dbraw/zinc/88/90/69/318889069.db2.gz XITYGJQHPIOWKX-UONOGXRCSA-N 1 0 345.407 2.034 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000564860020 319119311 /nfs/dbraw/zinc/11/93/11/319119311.db2.gz MCJVQCQESFCWOU-DGCLKSJQSA-N 1 0 330.331 2.360 20 5 EEBDRO CC1(C)C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000566122488 319248163 /nfs/dbraw/zinc/24/81/63/319248163.db2.gz NBASEZKBDSPREY-KBPBESRZSA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000566131369 319249250 /nfs/dbraw/zinc/24/92/50/319249250.db2.gz KTIUFZVVXHVMOE-NWDGAFQWSA-N 1 0 337.401 2.184 20 5 EEBDRO Cc1nccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377838 319374870 /nfs/dbraw/zinc/37/48/70/319374870.db2.gz DZNJTXGJPDZPNU-ZDUSSCGKSA-N 1 0 345.403 2.354 20 5 EEBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000570993726 319716569 /nfs/dbraw/zinc/71/65/69/319716569.db2.gz ZZUXIRGRSODKNF-CYBMUJFWSA-N 1 0 348.403 2.149 20 5 EEBDRO Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000575847859 320118878 /nfs/dbraw/zinc/11/88/78/320118878.db2.gz KYTOXVJTHKYGQY-UHFFFAOYSA-N 1 0 326.303 2.435 20 5 EEBDRO CNc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000577813348 320276393 /nfs/dbraw/zinc/27/63/93/320276393.db2.gz FXIWPCVNTVBIKK-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000582900326 324553040 /nfs/dbraw/zinc/55/30/40/324553040.db2.gz LLKAYUWFZCHUGL-WOSRLPQWSA-N 1 0 333.388 2.471 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000583436126 324661985 /nfs/dbraw/zinc/66/19/85/324661985.db2.gz SFEWRNWOIWSBCM-HNNXBMFYSA-N 1 0 332.356 2.003 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000156199185 462991788 /nfs/dbraw/zinc/99/17/88/462991788.db2.gz ZUIFLUJHAQXPNP-INIZCTEOSA-N 1 0 330.388 2.075 20 5 EEBDRO CN(CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000347501276 465060694 /nfs/dbraw/zinc/06/06/94/465060694.db2.gz URUFWULCTRPQMF-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](O)CO)cc2[N+](=O)[O-])cc1 ZINC000347510815 465066956 /nfs/dbraw/zinc/06/69/56/465066956.db2.gz XAJWPPAGBDBIPO-CQSZACIVSA-N 1 0 348.424 2.497 20 5 EEBDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339304748 465197949 /nfs/dbraw/zinc/19/79/49/465197949.db2.gz MYKKKWFJLJOGHB-KBPBESRZSA-N 1 0 338.408 2.283 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342136981 465294803 /nfs/dbraw/zinc/29/48/03/465294803.db2.gz VVUNTZPJWXQCBQ-GFCCVEGCSA-N 1 0 345.403 2.920 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CCN(CC[C@@H](O)c2ccccc2)CC1 ZINC000298095358 465299726 /nfs/dbraw/zinc/29/97/26/465299726.db2.gz MYOPRLFARWDYQF-QGZVFWFLSA-N 1 0 342.399 2.236 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000060396489 462546561 /nfs/dbraw/zinc/54/65/61/462546561.db2.gz HAKDVKCBWCHENJ-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000112925092 462554496 /nfs/dbraw/zinc/55/44/96/462554496.db2.gz GPSQOHYNQKXNAP-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO CC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128134211 462612016 /nfs/dbraw/zinc/61/20/16/462612016.db2.gz QRNYEUDOSSOSOD-DOTOQJQBSA-N 1 0 348.447 2.223 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000088230548 462618400 /nfs/dbraw/zinc/61/84/00/462618400.db2.gz FUHBPVFZVXWLAU-UHFFFAOYSA-N 1 0 347.371 2.157 20 5 EEBDRO C[C@@H]1C[NH+](C[C@H](O)CSCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000128857216 462675863 /nfs/dbraw/zinc/67/58/63/462675863.db2.gz AWTFAOIMBRUZSG-IOASZLSFSA-N 1 0 340.445 2.298 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H](C(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000129198738 462694380 /nfs/dbraw/zinc/69/43/80/462694380.db2.gz LITLBHJOUYJYNO-INIZCTEOSA-N 1 0 336.436 2.408 20 5 EEBDRO Cc1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644997 462702670 /nfs/dbraw/zinc/70/26/70/462702670.db2.gz LXBKSPCWQHSVBW-HZPDHXFCSA-N 1 0 342.399 2.346 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000089929414 462744184 /nfs/dbraw/zinc/74/41/84/462744184.db2.gz FTGCUDHCNHKNFN-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO CNC(=O)CCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089934866 462746602 /nfs/dbraw/zinc/74/66/02/462746602.db2.gz QMCZVPUCLANUHB-UHFFFAOYSA-N 1 0 332.360 2.208 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000154513119 462778265 /nfs/dbraw/zinc/77/82/65/462778265.db2.gz QZLBCVWYJOFTAQ-UHFFFAOYSA-N 1 0 349.435 2.361 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)CCOCC3)c2c(c1)COCO2 ZINC000076177708 462817416 /nfs/dbraw/zinc/81/74/16/462817416.db2.gz FDBHGPNGSZVUJT-UHFFFAOYSA-N 1 0 334.372 2.464 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065844132 462832919 /nfs/dbraw/zinc/83/29/19/462832919.db2.gz IMXDVFNAWARUES-UHFFFAOYSA-N 1 0 332.404 2.396 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000077171033 462945854 /nfs/dbraw/zinc/94/58/54/462945854.db2.gz OLTXTUZYMYJHDW-RHSMWYFYSA-N 1 0 331.372 2.500 20 5 EEBDRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000049969840 462980917 /nfs/dbraw/zinc/98/09/17/462980917.db2.gz AIMQNDBLVYSWRH-AWEZNQCLSA-N 1 0 334.420 2.195 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000067265118 462983831 /nfs/dbraw/zinc/98/38/31/462983831.db2.gz ZFOVKLODZFOGTA-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO NC(=O)c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526589 463124427 /nfs/dbraw/zinc/12/44/27/463124427.db2.gz XFNFPIDTMIWQQQ-AWEZNQCLSA-N 1 0 332.404 2.370 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068779923 463175461 /nfs/dbraw/zinc/17/54/61/463175461.db2.gz FEOTWEWKVWWRBT-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053749836 463186831 /nfs/dbraw/zinc/18/68/31/463186831.db2.gz NWJDTAADTTYYAA-JSGCOSHPSA-N 1 0 328.372 2.488 20 5 EEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136713823 463255075 /nfs/dbraw/zinc/25/50/75/463255075.db2.gz ZMKMRLVNRVAGDE-UHFFFAOYSA-N 1 0 345.403 2.302 20 5 EEBDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000160480170 463342218 /nfs/dbraw/zinc/34/22/18/463342218.db2.gz FQIRJFXMXQUZEY-QLFBSQMISA-N 1 0 334.420 2.376 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000142258554 463360214 /nfs/dbraw/zinc/36/02/14/463360214.db2.gz RJWTYURAPXJTIE-INIZCTEOSA-N 1 0 335.404 2.168 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142451321 463361649 /nfs/dbraw/zinc/36/16/49/463361649.db2.gz MSMJZHOVKOAAKV-HNNXBMFYSA-N 1 0 344.415 2.479 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000101955778 463383506 /nfs/dbraw/zinc/38/35/06/463383506.db2.gz FOTLJFXEVQBKJC-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000056196659 463384323 /nfs/dbraw/zinc/38/43/23/463384323.db2.gz DVRRWBKXVWLSOY-MNOVXSKESA-N 1 0 336.392 2.258 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148445345 463401175 /nfs/dbraw/zinc/40/11/75/463401175.db2.gz FGUIOPCCISNLCM-VXGBXAGGSA-N 1 0 349.387 2.174 20 5 EEBDRO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)ncn1 ZINC000105797638 463465901 /nfs/dbraw/zinc/46/59/01/463465901.db2.gz XMUOTGKDZXBJDH-OAHLLOKOSA-N 1 0 342.403 2.185 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000057288170 463475596 /nfs/dbraw/zinc/47/55/96/463475596.db2.gz LWMXKTDLVNUPGS-OAHLLOKOSA-N 1 0 327.384 2.498 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)CCSC)c([N+](=O)[O-])c1 ZINC000151155853 463485474 /nfs/dbraw/zinc/48/54/74/463485474.db2.gz JNMXIMLDIODTBZ-UHFFFAOYSA-N 1 0 327.406 2.227 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162281270 463498209 /nfs/dbraw/zinc/49/82/09/463498209.db2.gz XNSLGLSPBRMHOL-NWDGAFQWSA-N 1 0 341.795 2.403 20 5 EEBDRO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057716181 463512506 /nfs/dbraw/zinc/51/25/06/463512506.db2.gz JGFZRTPKXJTPTG-CYBMUJFWSA-N 1 0 334.420 2.386 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000162720237 463533409 /nfs/dbraw/zinc/53/34/09/463533409.db2.gz GBRAFGDFRHDYET-ZDUSSCGKSA-N 1 0 331.376 2.028 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000083423848 463545609 /nfs/dbraw/zinc/54/56/09/463545609.db2.gz RRHWBQREMRLMAI-KRWDZBQOSA-N 1 0 348.378 2.171 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000151923105 463615397 /nfs/dbraw/zinc/61/53/97/463615397.db2.gz QWXLLBXHHGOSDM-UHFFFAOYSA-N 1 0 334.420 2.298 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000152433128 463689541 /nfs/dbraw/zinc/68/95/41/463689541.db2.gz KKJJTAUOWMIQTA-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCO ZINC000112583908 463704138 /nfs/dbraw/zinc/70/41/38/463704138.db2.gz PRUBJPBGCPRHLZ-AWEZNQCLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184924887 463720134 /nfs/dbraw/zinc/72/01/34/463720134.db2.gz QJWLFMXNGFVJGQ-VXGBXAGGSA-N 1 0 335.379 2.438 20 5 EEBDRO C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000276722288 463731904 /nfs/dbraw/zinc/73/19/04/463731904.db2.gz ZPACKLMCFZVDCP-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193896413 463755853 /nfs/dbraw/zinc/75/58/53/463755853.db2.gz PPJABOGLQRBWLE-RYUDHWBXSA-N 1 0 348.403 2.078 20 5 EEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000261603772 463797447 /nfs/dbraw/zinc/79/74/47/463797447.db2.gz AWIJYJZPQOZIQC-HNNXBMFYSA-N 1 0 329.404 2.037 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287217265 463837943 /nfs/dbraw/zinc/83/79/43/463837943.db2.gz QBKZUXMZLRUPOT-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261741894 463845637 /nfs/dbraw/zinc/84/56/37/463845637.db2.gz GPNCSBXLEQJWLR-CQSZACIVSA-N 1 0 347.415 2.354 20 5 EEBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784896 463858667 /nfs/dbraw/zinc/85/86/67/463858667.db2.gz YFEQBIZJKOAJBS-WMLDXEAASA-N 1 0 335.404 2.052 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1(O)CCOCC1)C1CC1 ZINC000287321563 463869497 /nfs/dbraw/zinc/86/94/97/463869497.db2.gz FLSPYDKZOIWDGP-MRXNPFEDSA-N 1 0 334.416 2.437 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)n1 ZINC000261886162 463888669 /nfs/dbraw/zinc/88/86/69/463888669.db2.gz VBYJLQDOSMKLMY-CQSZACIVSA-N 1 0 335.795 2.091 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000171927313 463952244 /nfs/dbraw/zinc/95/22/44/463952244.db2.gz KZODONHUXYVMHN-ZDUSSCGKSA-N 1 0 345.403 2.037 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262301018 463995403 /nfs/dbraw/zinc/99/54/03/463995403.db2.gz XLYRHKJTSXWPQH-INIZCTEOSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1cccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278872039 464005057 /nfs/dbraw/zinc/00/50/57/464005057.db2.gz OFHDBBSSIMNOGU-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186708287 464055144 /nfs/dbraw/zinc/05/51/44/464055144.db2.gz UCSAKNKXZLHWAS-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172425584 464078264 /nfs/dbraw/zinc/07/82/64/464078264.db2.gz LFMOMPFZSZRHLO-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534410 464153724 /nfs/dbraw/zinc/15/37/24/464153724.db2.gz PYIVDVCFAQSLJT-BBRMVZONSA-N 1 0 348.403 2.290 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000263697402 464157611 /nfs/dbraw/zinc/15/76/11/464157611.db2.gz SRAZHQUMXSYWHN-GFCCVEGCSA-N 1 0 337.424 2.265 20 5 EEBDRO CC[C@]1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000591032534 468397386 /nfs/dbraw/zinc/39/73/86/468397386.db2.gz QMKYSKDLENUOGG-INIZCTEOSA-N 1 0 337.376 2.091 20 5 EEBDRO Cc1ccccc1-n1nccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000280246284 464193646 /nfs/dbraw/zinc/19/36/46/464193646.db2.gz KHERNPQQCDWLHR-UHFFFAOYSA-N 1 0 326.360 2.075 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000280272748 464197220 /nfs/dbraw/zinc/19/72/20/464197220.db2.gz RGJOLQKGQJEGJK-NVXWUHKLSA-N 1 0 349.431 2.419 20 5 EEBDRO C[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000237544084 464337822 /nfs/dbraw/zinc/33/78/22/464337822.db2.gz AGSDLOZZLKEJPM-GOSISDBHSA-N 1 0 347.415 2.354 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174123339 464364316 /nfs/dbraw/zinc/36/43/16/464364316.db2.gz YKLSUUTVNNMFEY-ZDUSSCGKSA-N 1 0 332.360 2.081 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281199167 464368156 /nfs/dbraw/zinc/36/81/56/464368156.db2.gz PDCPYBGSUDFMCF-ABAIWWIYSA-N 1 0 343.387 2.164 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761957 464373797 /nfs/dbraw/zinc/37/37/97/464373797.db2.gz VOTRLLCOAUNNDY-WFASDCNBSA-N 1 0 340.330 2.171 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264598102 464388659 /nfs/dbraw/zinc/38/86/59/464388659.db2.gz MXHSTUXKKYCQMV-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281291344 464402091 /nfs/dbraw/zinc/40/20/91/464402091.db2.gz PAKKQTLAKQHKHI-UHFFFAOYSA-N 1 0 345.321 2.485 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000264652221 464409083 /nfs/dbraw/zinc/40/90/83/464409083.db2.gz JEZFCPICNQQDIC-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238018797 464419842 /nfs/dbraw/zinc/41/98/42/464419842.db2.gz MTIDFIUVQDZASG-SFHVURJKSA-N 1 0 337.379 2.367 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000175016932 464481736 /nfs/dbraw/zinc/48/17/36/464481736.db2.gz ALYZYHKPVVCNDK-LSDHHAIUSA-N 1 0 346.431 2.116 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCOC ZINC000281605509 464519620 /nfs/dbraw/zinc/51/96/20/464519620.db2.gz MNSUQJOFTJOOPP-CHWSQXEVSA-N 1 0 328.434 2.453 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272349200 464573787 /nfs/dbraw/zinc/57/37/87/464573787.db2.gz OGLCVGQCPCFXTA-YGRLFVJLSA-N 1 0 339.342 2.286 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000190012376 464586125 /nfs/dbraw/zinc/58/61/25/464586125.db2.gz NODKHOAZCGINQO-DOTOQJQBSA-N 1 0 338.404 2.259 20 5 EEBDRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182195192 464595920 /nfs/dbraw/zinc/59/59/20/464595920.db2.gz RLUXCULKJFNWMQ-CQSZACIVSA-N 1 0 327.812 2.137 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294867904 464631629 /nfs/dbraw/zinc/63/16/29/464631629.db2.gz GRNXLMBECHTGKQ-LLVKDONJSA-N 1 0 339.367 2.156 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272540839 464652090 /nfs/dbraw/zinc/65/20/90/464652090.db2.gz BYOMHADDWNGOEY-WFASDCNBSA-N 1 0 335.429 2.240 20 5 EEBDRO C[C@H](O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000272546455 464655709 /nfs/dbraw/zinc/65/57/09/464655709.db2.gz KCOGUBWEMGQJOE-GXTWGEPZSA-N 1 0 331.372 2.495 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000273038572 464700663 /nfs/dbraw/zinc/70/06/63/464700663.db2.gz OMVYTQLIFCPLAY-AWEZNQCLSA-N 1 0 346.431 2.170 20 5 EEBDRO Cn1c2cc(NCCCC[N@H+](C)C3CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000591166378 468420402 /nfs/dbraw/zinc/42/04/02/468420402.db2.gz KKRAQZGJHIALTD-UHFFFAOYSA-N 1 0 347.419 2.072 20 5 EEBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176200265 464718301 /nfs/dbraw/zinc/71/83/01/464718301.db2.gz YLYJIVOKEXVPFM-CQSZACIVSA-N 1 0 343.387 2.142 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000286053379 464788289 /nfs/dbraw/zinc/78/82/89/464788289.db2.gz HXUKNFDJUFLWES-RYUDHWBXSA-N 1 0 336.392 2.309 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000266773415 464816653 /nfs/dbraw/zinc/81/66/53/464816653.db2.gz XLCQBKUCWNHHAO-LBPRGKRZSA-N 1 0 337.401 2.316 20 5 EEBDRO CCOC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286223095 464844908 /nfs/dbraw/zinc/84/49/08/464844908.db2.gz QZHDHOSMNSVBQB-HNNXBMFYSA-N 1 0 344.433 2.019 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000282699728 464915170 /nfs/dbraw/zinc/91/51/70/464915170.db2.gz SDAKPIMFNJKECZ-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000286516734 464945172 /nfs/dbraw/zinc/94/51/72/464945172.db2.gz BBUYFVNQFZIUFF-ZBFHGGJFSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276617005 465002650 /nfs/dbraw/zinc/00/26/50/465002650.db2.gz MKWYUSCEHDLZQF-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355250 465324316 /nfs/dbraw/zinc/32/43/16/465324316.db2.gz DPJQVFXUSDUYMD-DGCLKSJQSA-N 1 0 336.417 2.225 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593911210 468430592 /nfs/dbraw/zinc/43/05/92/468430592.db2.gz FYMNGFGEVSEPIZ-UTUOFQBUSA-N 1 0 339.417 2.015 20 5 EEBDRO COCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000343689130 465544183 /nfs/dbraw/zinc/54/41/83/465544183.db2.gz LKFNHZJRWGXLMG-UHFFFAOYSA-N 1 0 335.360 2.004 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000348387354 465578858 /nfs/dbraw/zinc/57/88/58/465578858.db2.gz BHEDINZCBAKXPB-UHFFFAOYSA-N 1 0 328.372 2.458 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356884036 465600380 /nfs/dbraw/zinc/60/03/80/465600380.db2.gz QVFCXNIEBPTRRB-VXGBXAGGSA-N 1 0 330.388 2.170 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357043709 465722851 /nfs/dbraw/zinc/72/28/51/465722851.db2.gz RDXIOMQYIGIPSN-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO CN(C)Cc1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348892217 465861640 /nfs/dbraw/zinc/86/16/40/465861640.db2.gz IAGGJILSXZYHOU-UHFFFAOYSA-N 1 0 335.433 2.078 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357228905 465873775 /nfs/dbraw/zinc/87/37/75/465873775.db2.gz ZCBYIVSJOYXIBA-GFCCVEGCSA-N 1 0 335.408 2.155 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2C1 ZINC000349055948 465941438 /nfs/dbraw/zinc/94/14/38/465941438.db2.gz PVRUKNBLIYXCLC-GFCCVEGCSA-N 1 0 330.319 2.197 20 5 EEBDRO CNC(=O)c1ccc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000366837476 465962623 /nfs/dbraw/zinc/96/26/23/465962623.db2.gz SVHMNTJPPIFGPL-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO CC[NH+](CC)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353692353 466073747 /nfs/dbraw/zinc/07/37/47/466073747.db2.gz IRYJJXJGZRJYIS-UHFFFAOYSA-N 1 0 342.827 2.432 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000591446283 468471624 /nfs/dbraw/zinc/47/16/24/468471624.db2.gz YVGAETALLGFROI-KSSFIOAISA-N 1 0 346.431 2.286 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000353761348 466127558 /nfs/dbraw/zinc/12/75/58/466127558.db2.gz SWEWAWYIRAMBPN-UHFFFAOYSA-N 1 0 346.339 2.142 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331768756 466237971 /nfs/dbraw/zinc/23/79/71/466237971.db2.gz JHXZIHKTYMSCFV-GFCCVEGCSA-N 1 0 344.371 2.015 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331826734 466261494 /nfs/dbraw/zinc/26/14/94/466261494.db2.gz JAUBSPHSIDLVPF-UNEWFSDZSA-N 1 0 346.431 2.482 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000332009744 466344966 /nfs/dbraw/zinc/34/49/66/466344966.db2.gz ZEGQKSTWYLSZTJ-INIZCTEOSA-N 1 0 349.456 2.429 20 5 EEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332072263 466372418 /nfs/dbraw/zinc/37/24/18/466372418.db2.gz XDQQPVQZAXSCON-LSDHHAIUSA-N 1 0 339.342 2.159 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000305457662 466410886 /nfs/dbraw/zinc/41/08/86/466410886.db2.gz ULTONUJWAOTMQA-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000347347084 466583970 /nfs/dbraw/zinc/58/39/70/466583970.db2.gz GPQOYADVFZEXSJ-UHFFFAOYSA-N 1 0 332.360 2.253 20 5 EEBDRO COc1ccc(CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000591682092 468501950 /nfs/dbraw/zinc/50/19/50/468501950.db2.gz YGKVFXRHWBOICI-UHFFFAOYSA-N 1 0 341.367 2.066 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391512 466736580 /nfs/dbraw/zinc/73/65/80/466736580.db2.gz WXLASEPIQAYCGG-INWMFGNUSA-N 1 0 329.404 2.148 20 5 EEBDRO COC[C@]1(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423633289 466791760 /nfs/dbraw/zinc/79/17/60/466791760.db2.gz LDUKELSXZBNIKX-QGZVFWFLSA-N 1 0 335.404 2.018 20 5 EEBDRO Cn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365521155 466845073 /nfs/dbraw/zinc/84/50/73/466845073.db2.gz IDWPFPZYQOCPEG-CQSZACIVSA-N 1 0 328.372 2.277 20 5 EEBDRO O=C1[C@@H]([NH2+]C2(C3CC3)CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375695886 466865798 /nfs/dbraw/zinc/86/57/98/466865798.db2.gz CWLPTLIREILPPD-INIZCTEOSA-N 1 0 345.399 2.249 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411716541 466886527 /nfs/dbraw/zinc/88/65/27/466886527.db2.gz GLYVBKCOSWGDEO-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423942533 466922918 /nfs/dbraw/zinc/92/29/18/466922918.db2.gz FBZDHPRRYIROBO-TVQRCGJNSA-N 1 0 341.795 2.211 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423972172 466932245 /nfs/dbraw/zinc/93/22/45/466932245.db2.gz ZHWQXILVNFQVPV-AWEZNQCLSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C[NH3+] ZINC000423994087 466942143 /nfs/dbraw/zinc/94/21/43/466942143.db2.gz HZAZWVQIUZTNBR-NWDGAFQWSA-N 1 0 328.372 2.200 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424036411 466959885 /nfs/dbraw/zinc/95/98/85/466959885.db2.gz FALCQGMVPHWFGE-OAHLLOKOSA-N 1 0 349.435 2.121 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000412031408 466972246 /nfs/dbraw/zinc/97/22/46/466972246.db2.gz AQSLZPATTPIPBA-XQLPTFJDSA-N 1 0 347.415 2.323 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417929449 466989658 /nfs/dbraw/zinc/98/96/58/466989658.db2.gz AKVCPJHWHATZRB-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425553591 467109377 /nfs/dbraw/zinc/10/93/77/467109377.db2.gz TWDBIVMFBJZHGQ-HUUCEWRRSA-N 1 0 336.779 2.253 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418435637 467110977 /nfs/dbraw/zinc/11/09/77/467110977.db2.gz AYJUJQRJECYLQW-ZDUSSCGKSA-N 1 0 336.392 2.016 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645456 467263866 /nfs/dbraw/zinc/26/38/66/467263866.db2.gz AVJLLODIVUVSFD-HIFRSBDPSA-N 1 0 338.429 2.162 20 5 EEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000451860813 467275006 /nfs/dbraw/zinc/27/50/06/467275006.db2.gz XCNHTJIAPKKXEJ-CABCVRRESA-N 1 0 333.388 2.083 20 5 EEBDRO O=C1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000433182913 467303181 /nfs/dbraw/zinc/30/31/81/467303181.db2.gz QBAHZBNBKGKHHZ-LBPRGKRZSA-N 1 0 346.412 2.477 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(CCC(F)(F)F)CC1 ZINC000452108501 467326134 /nfs/dbraw/zinc/32/61/34/467326134.db2.gz FCPQAFGXSWLKEN-UHFFFAOYSA-N 1 0 349.357 2.140 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433861810 467359365 /nfs/dbraw/zinc/35/93/65/467359365.db2.gz FUGQGQIZHDVPFS-LBPRGKRZSA-N 1 0 337.424 2.436 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000414123531 467380019 /nfs/dbraw/zinc/38/00/19/467380019.db2.gz BJTKKEVFDFMKFA-GLQYFDAESA-N 1 0 326.418 2.393 20 5 EEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000387686128 467394852 /nfs/dbraw/zinc/39/48/52/467394852.db2.gz UDUWWTVLEWFJMA-INIZCTEOSA-N 1 0 348.447 2.268 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430557637 467439458 /nfs/dbraw/zinc/43/94/58/467439458.db2.gz TYWQKJLOIBYDJW-AWEZNQCLSA-N 1 0 333.392 2.450 20 5 EEBDRO COC1(CO)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000401900391 467465821 /nfs/dbraw/zinc/46/58/21/467465821.db2.gz PZTFOZCEKLQMQY-UHFFFAOYSA-N 1 0 331.372 2.429 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435832709 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Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000590386603 468244775 /nfs/dbraw/zinc/24/47/75/468244775.db2.gz CEXRPMPWLVRIFE-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197149 468508916 /nfs/dbraw/zinc/50/89/16/468508916.db2.gz AMDJYUMUWTYNJQ-KGLIPLIRSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000569567840 468510224 /nfs/dbraw/zinc/51/02/24/468510224.db2.gz LBQHHOATEJFHQW-JKSUJKDBSA-N 1 0 341.367 2.089 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594215681 468515018 /nfs/dbraw/zinc/51/50/18/468515018.db2.gz STXBCCJLUGEHTL-GDBMZVCRSA-N 1 0 332.404 2.411 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000591764413 468517635 /nfs/dbraw/zinc/51/76/35/468517635.db2.gz NGVZWROUNZTDDE-YSVLISHTSA-N 1 0 348.378 2.217 20 5 EEBDRO CN(CCOCC[NH3+])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600772477 468653345 /nfs/dbraw/zinc/65/33/45/468653345.db2.gz CVGONALLUUEQJQ-UHFFFAOYSA-N 1 0 336.417 2.125 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000592428583 468695799 /nfs/dbraw/zinc/69/57/99/468695799.db2.gz BHGILYKOFYCTBG-YVEFUNNKSA-N 1 0 331.372 2.403 20 5 EEBDRO C[C@H](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000597998763 468735142 /nfs/dbraw/zinc/73/51/42/468735142.db2.gz QOBRZJFYNJLFDQ-CQSZACIVSA-N 1 0 348.447 2.268 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116709 468748237 /nfs/dbraw/zinc/74/82/37/468748237.db2.gz OTXKQLFILVSTPW-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000584053686 468792791 /nfs/dbraw/zinc/79/27/91/468792791.db2.gz UVAYKYWNCKTVQZ-INIZCTEOSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000601439710 468874891 /nfs/dbraw/zinc/87/48/91/468874891.db2.gz JGOBQHLZUCWPNU-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000601439944 468875070 /nfs/dbraw/zinc/87/50/70/468875070.db2.gz KMDCDNUQCMMOBY-LBPRGKRZSA-N 1 0 341.433 2.008 20 5 EEBDRO [NH3+]C1(c2noc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000598591082 468924777 /nfs/dbraw/zinc/92/47/77/468924777.db2.gz ZJZBZRBERYLQKY-UHFFFAOYSA-N 1 0 346.347 2.028 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000598590022 468925210 /nfs/dbraw/zinc/92/52/10/468925210.db2.gz OACVWNRNVPBJIK-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO COCCC[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602631536 468977935 /nfs/dbraw/zinc/97/79/35/468977935.db2.gz YROASQDALMOLHR-UHFFFAOYSA-N 1 0 336.310 2.444 20 5 EEBDRO C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000593483620 469001220 /nfs/dbraw/zinc/00/12/20/469001220.db2.gz GRTFQVFWYCRBFJ-LLVKDONJSA-N 1 0 325.384 2.369 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCN(CC(F)F)C3)nc2c1 ZINC000602697034 469019150 /nfs/dbraw/zinc/01/91/50/469019150.db2.gz SQUHQDYTNSDRAF-VIFPVBQESA-N 1 0 326.303 2.165 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000586772101 469062298 /nfs/dbraw/zinc/06/22/98/469062298.db2.gz LIZJKLCHHAOMMT-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593673740 469089780 /nfs/dbraw/zinc/08/97/80/469089780.db2.gz IMTMHSDTJXCBCF-HUUCEWRRSA-N 1 0 332.356 2.436 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN(CC(=O)OC(C)(C)C)C1CCC1 ZINC000602872760 469132299 /nfs/dbraw/zinc/13/22/99/469132299.db2.gz HPCSLOWPHCJALU-UHFFFAOYSA-N 1 0 338.408 2.296 20 5 EEBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000596065019 469135616 /nfs/dbraw/zinc/13/56/16/469135616.db2.gz NHRHPOUDOLQYNB-RHSMWYFYSA-N 1 0 338.404 2.129 20 5 EEBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611374164 469237444 /nfs/dbraw/zinc/23/74/44/469237444.db2.gz MYTSTIVMEUVRSF-OAHLLOKOSA-N 1 0 338.477 2.257 20 5 EEBDRO CC1(C)C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000596655878 469324038 /nfs/dbraw/zinc/32/40/38/469324038.db2.gz ZBGQPWFEUCWXPU-AWEZNQCLSA-N 1 0 343.387 2.061 20 5 EEBDRO CCN1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506612 469342777 /nfs/dbraw/zinc/34/27/77/469342777.db2.gz DVUDLYOGEFCWJV-OAHLLOKOSA-N 1 0 333.436 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)cn1 ZINC000602530817 469351351 /nfs/dbraw/zinc/35/13/51/469351351.db2.gz HJRAVVWBURHJRF-QGZVFWFLSA-N 1 0 348.447 2.489 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603424406 469391419 /nfs/dbraw/zinc/39/14/19/469391419.db2.gz UTOQQMPIKTURSU-MRXNPFEDSA-N 1 0 348.447 2.112 20 5 EEBDRO CN(C)c1cc[nH+]c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000612347480 469443867 /nfs/dbraw/zinc/44/38/67/469443867.db2.gz ZOYZTMFMTXKAOQ-UHFFFAOYSA-N 1 0 329.360 2.497 20 5 EEBDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483573 469477630 /nfs/dbraw/zinc/47/76/30/469477630.db2.gz DECYWPXXBHGFMG-YPMHNXCESA-N 1 0 335.379 2.438 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000604492594 469483447 /nfs/dbraw/zinc/48/34/47/469483447.db2.gz FIPMAVIGLGNUGN-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000604489658 469483559 /nfs/dbraw/zinc/48/35/59/469483559.db2.gz ZWNWXRJENAPEQM-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000609595591 469945611 /nfs/dbraw/zinc/94/56/11/469945611.db2.gz RHAPMLZBHCTRLF-OAHLLOKOSA-N 1 0 346.431 2.454 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209667 469988484 /nfs/dbraw/zinc/98/84/84/469988484.db2.gz WNXASGLVSAMPCX-BXUZGUMPSA-N 1 0 332.404 2.382 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2csc3ccccc23)c1 ZINC000610336090 470005028 /nfs/dbraw/zinc/00/50/28/470005028.db2.gz SHVOIPAMGNQKGA-AWEZNQCLSA-N 1 0 346.412 2.199 20 5 EEBDRO COc1cc(CN[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430596743 485704867 /nfs/dbraw/zinc/70/48/67/485704867.db2.gz OZYYWTKGBSAFAU-OAHLLOKOSA-N 1 0 345.346 2.422 20 5 EEBDRO C[C@H](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCCC1 ZINC000182241549 533937200 /nfs/dbraw/zinc/93/72/00/533937200.db2.gz YNQYOVAWPDVESE-GFCCVEGCSA-N 1 0 349.387 2.318 20 5 EEBDRO CC(C)[C@H](C)[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726587124 576278168 /nfs/dbraw/zinc/27/81/68/576278168.db2.gz VFDDPRPYZHTYIF-LBPRGKRZSA-N 1 0 334.376 2.297 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000764364441 577734914 /nfs/dbraw/zinc/73/49/14/577734914.db2.gz YPKYVFRAHQSLDU-AWEZNQCLSA-N 1 0 345.403 2.097 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000751058394 577747668 /nfs/dbraw/zinc/74/76/68/577747668.db2.gz GSWOCPFUDDNLRV-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000754869717 577815376 /nfs/dbraw/zinc/81/53/76/577815376.db2.gz PAEHRVNVEQTBGN-UHFFFAOYSA-N 1 0 335.339 2.090 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749800278 577982075 /nfs/dbraw/zinc/98/20/75/577982075.db2.gz RFZZYOHOPMTMLC-LSDHHAIUSA-N 1 0 343.387 2.169 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC001021773365 676433156 /nfs/dbraw/zinc/43/31/56/676433156.db2.gz OJPJZGWJCBTZJV-GASCZTMLSA-N 1 0 326.356 2.040 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CCC12CCC2 ZINC000891410790 676573314 /nfs/dbraw/zinc/57/33/14/676573314.db2.gz VIKSQANNMPUPMQ-UHFFFAOYSA-N 1 0 332.404 2.065 20 5 EEBDRO Cc1noc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC001022254446 676769544 /nfs/dbraw/zinc/76/95/44/676769544.db2.gz CQFLFRRJGUCWGS-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO C[C@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705024 676834169 /nfs/dbraw/zinc/83/41/69/676834169.db2.gz XCUZAIBJOGWAMS-ZJQCNOOHSA-N 1 0 327.384 2.338 20 5 EEBDRO COC(=O)c1sccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000894448162 682899961 /nfs/dbraw/zinc/89/99/61/682899961.db2.gz LHXOTLGVMYKAMI-UHFFFAOYSA-N 1 0 335.385 2.408 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000894506848 682940423 /nfs/dbraw/zinc/94/04/23/682940423.db2.gz UYGFCNFBIZOMGR-JTQLQIEISA-N 1 0 332.809 2.163 20 5 EEBDRO C[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777216 683032860 /nfs/dbraw/zinc/03/28/60/683032860.db2.gz INRNLZUGMFPWRC-DIFFPNOSSA-N 1 0 335.379 2.438 20 5 EEBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC000894760213 683069119 /nfs/dbraw/zinc/06/91/19/683069119.db2.gz DQFQINQPGNPAAX-UHFFFAOYSA-N 1 0 335.385 2.408 20 5 EEBDRO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)o1 ZINC001025665439 683227365 /nfs/dbraw/zinc/22/73/65/683227365.db2.gz VHJJFLLMJCYOLI-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000895248221 684374180 /nfs/dbraw/zinc/37/41/80/684374180.db2.gz KQWSWUSHYKISIH-SJCJKPOMSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000895248220 684374221 /nfs/dbraw/zinc/37/42/21/684374221.db2.gz KQWSWUSHYKISIH-PXAZEXFGSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000895270180 684420900 /nfs/dbraw/zinc/42/09/00/684420900.db2.gz HTHAEOBUYXFJCJ-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000895273903 684421717 /nfs/dbraw/zinc/42/17/17/684421717.db2.gz KUWDHLQHUYPVSL-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000895276878 684424041 /nfs/dbraw/zinc/42/40/41/684424041.db2.gz WIISFTAAPAZDCL-LLVKDONJSA-N 1 0 332.385 2.402 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000895947182 684780912 /nfs/dbraw/zinc/78/09/12/684780912.db2.gz BRQABUXGJYMDFW-KFKAGJAMSA-N 1 0 342.395 2.309 20 5 EEBDRO Cn1c2ccccc2c(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1=O ZINC000893376820 685025591 /nfs/dbraw/zinc/02/55/91/685025591.db2.gz QCPXCXJXXDJKMU-UHFFFAOYSA-N 1 0 330.388 2.343 20 5 EEBDRO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001059723178 688628868 /nfs/dbraw/zinc/62/88/68/688628868.db2.gz VESZAFGQOVXYAB-GASCZTMLSA-N 1 0 346.431 2.386 20 5 EEBDRO COc1cc(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])c([N+](=O)[O-])cc1OC ZINC000904461148 694401974 /nfs/dbraw/zinc/40/19/74/694401974.db2.gz DZSSTRUCNZDVSO-RDTXWAMCSA-N 1 0 343.383 2.326 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424030197 694525236 /nfs/dbraw/zinc/52/52/36/694525236.db2.gz QNZCJEFIUNZNBE-KRWDZBQOSA-N 1 0 330.388 2.137 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000905566953 1189779975 /nfs/dbraw/zinc/77/99/75/1189779975.db2.gz BCXRQHPEPGQOEM-CQSZACIVSA-N 1 0 333.413 2.406 20 5 EEBDRO Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005377341 1195330135 /nfs/dbraw/zinc/33/01/35/1195330135.db2.gz BTTLQZFLTWPLFF-IAGOWNOFSA-N 1 0 331.416 2.083 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001034601581 1196430122 /nfs/dbraw/zinc/43/01/22/1196430122.db2.gz YVHKAXDGFSTGMQ-SHTZXODSSA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1c(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873149243 1198513829 /nfs/dbraw/zinc/51/38/29/1198513829.db2.gz ADHSFVBJGMFAGM-GFCCVEGCSA-N 1 0 329.282 2.388 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825829912 1199439558 /nfs/dbraw/zinc/43/95/58/1199439558.db2.gz GEZPOALCSNBXDE-QGZVFWFLSA-N 1 0 349.431 2.401 20 5 EEBDRO COc1ccc(OCC[NH+]2CCC(C(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000879626499 1201178889 /nfs/dbraw/zinc/17/88/89/1201178889.db2.gz MXHUTUNPWUVUJB-UHFFFAOYSA-N 1 0 338.404 2.465 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000879962286 1201325446 /nfs/dbraw/zinc/32/54/46/1201325446.db2.gz LVSLZBIWPGPOGU-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209502 1201422818 /nfs/dbraw/zinc/42/28/18/1201422818.db2.gz VKDNOWMQTDIIBZ-MRXNPFEDSA-N 1 0 349.431 2.207 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)CN1CCOCC1 ZINC000866268926 1201480802 /nfs/dbraw/zinc/48/08/02/1201480802.db2.gz LAMICQIRXGLXIL-UONOGXRCSA-N 1 0 339.411 2.223 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccnc(N(C)C)n1 ZINC000866313467 1201490506 /nfs/dbraw/zinc/49/05/06/1201490506.db2.gz BFYOWOMICJDOBH-LLVKDONJSA-N 1 0 333.367 2.311 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCS(C)(=O)=O ZINC000866380034 1201503244 /nfs/dbraw/zinc/50/32/44/1201503244.db2.gz YUBWNOGTVYTRTR-NSHDSACASA-N 1 0 332.397 2.079 20 5 EEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469002 1201704826 /nfs/dbraw/zinc/70/48/26/1201704826.db2.gz GGGHVGFYGYMVGB-ZDUSSCGKSA-N 1 0 339.417 2.030 20 5 EEBDRO CC1CCN(Cc2cn(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000883994282 1202193292 /nfs/dbraw/zinc/19/32/92/1202193292.db2.gz SZPBPWHOPDNXGW-QGZVFWFLSA-N 1 0 345.403 2.152 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095375070 1204232106 /nfs/dbraw/zinc/23/21/06/1204232106.db2.gz UAOMTFVJNVIVKI-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889838608 1204723709 /nfs/dbraw/zinc/72/37/09/1204723709.db2.gz LOVRXLKATUSUGC-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1cc(C[NH2+][C@H]2COC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000932488887 1207615145 /nfs/dbraw/zinc/61/51/45/1207615145.db2.gz OPCDNWZQQSYCNG-ONGXEEELSA-N 1 0 346.330 2.372 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934699044 1208011436 /nfs/dbraw/zinc/01/14/36/1208011436.db2.gz SDBORNMOASTWEW-YJBOKZPZSA-N 1 0 343.383 2.470 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935398386 1208145795 /nfs/dbraw/zinc/14/57/95/1208145795.db2.gz KCFVMHYBFJWFJN-DLBZAZTESA-N 1 0 329.400 2.467 20 5 EEBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001111309747 1210106296 /nfs/dbraw/zinc/10/62/96/1210106296.db2.gz XWGYUSJORQQQCW-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1C ZINC000246969473 1213458718 /nfs/dbraw/zinc/45/87/18/1213458718.db2.gz PXPYZCVCFKWIQL-QFSBIZTOSA-N 1 0 346.387 2.050 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795707701 1215000991 /nfs/dbraw/zinc/00/09/91/1215000991.db2.gz OPEQNOQVZUZXNQ-XJKSGUPXSA-N 1 0 329.404 2.461 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114786104 1215292291 /nfs/dbraw/zinc/29/22/91/1215292291.db2.gz CMLDGCHPGVMJGH-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001095899841 1215748357 /nfs/dbraw/zinc/74/83/57/1215748357.db2.gz VHAYBUQZZBSSMU-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095955888 1232561227 /nfs/dbraw/zinc/56/12/27/1232561227.db2.gz CKZQRJYXMOKYPI-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO O=C(OCCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000801874035 1236336488 /nfs/dbraw/zinc/33/64/88/1236336488.db2.gz FXLGYCCERZCENL-UHFFFAOYSA-N 1 0 334.372 2.391 20 5 EEBDRO C[N@H+](CC(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001057251401 1242761983 /nfs/dbraw/zinc/76/19/83/1242761983.db2.gz MQODJSZZNGVREU-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1cccc(C)c1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726065 1255330211 /nfs/dbraw/zinc/33/02/11/1255330211.db2.gz AEMHMJCKIMZGDZ-NVXWUHKLSA-N 1 0 343.427 2.003 20 5 EEBDRO C[N@H+](CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001110383665 1279178165 /nfs/dbraw/zinc/17/81/65/1279178165.db2.gz RPZBPZBSWQJPST-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO COCCCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199497057 1285681143 /nfs/dbraw/zinc/68/11/43/1285681143.db2.gz VMQAAFNTXFQGPJ-UHFFFAOYSA-N 1 0 341.433 2.164 20 5 EEBDRO CCOCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199699600 1285798927 /nfs/dbraw/zinc/79/89/27/1285798927.db2.gz XCIQXCNVBRNTSY-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858586195 1294160166 /nfs/dbraw/zinc/16/01/66/1294160166.db2.gz GXEWVRSTDTUWPF-NFAWXSAZSA-N 1 0 335.404 2.304 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC000931345541 1297149056 /nfs/dbraw/zinc/14/90/56/1297149056.db2.gz SFQBKCUXFNHODM-JKSUJKDBSA-N 1 0 343.387 2.095 20 5 EEBDRO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001217978825 1297540660 /nfs/dbraw/zinc/54/06/60/1297540660.db2.gz RHQWDUJWTPHMMD-BXUZGUMPSA-N 1 0 326.324 2.240 20 5 EEBDRO O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@H]3CCC[NH2+]C3)c12 ZINC001218285939 1297623584 /nfs/dbraw/zinc/62/35/84/1297623584.db2.gz CAVQBUNZPMQHET-LBPRGKRZSA-N 1 0 327.336 2.488 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC001101712838 1299741904 /nfs/dbraw/zinc/74/19/04/1299741904.db2.gz ONWANTXFYVJQPI-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CCOC(=O)C(CCCCCO[C@@H](C)C[N+](C)(C)C)C(=O)OCC ZINC001224904402 1300776321 /nfs/dbraw/zinc/77/63/21/1300776321.db2.gz NKFUOCSXQWKATH-HNNXBMFYSA-N 1 0 346.488 2.401 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3c(F)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001226010228 1301231462 /nfs/dbraw/zinc/23/14/62/1301231462.db2.gz RNNBYLHPHLDIJS-UOVKNHIHSA-N 1 0 338.335 2.280 20 5 EEBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC001226734607 1301532111 /nfs/dbraw/zinc/53/21/11/1301532111.db2.gz ZTHJTMBWZFFBIR-UHFFFAOYSA-N 1 0 328.372 2.471 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111814527 1303930867 /nfs/dbraw/zinc/93/08/67/1303930867.db2.gz NNBGGSXQHWYWIN-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NC1CC[NH+](C)CC1 ZINC000798374348 1304989576 /nfs/dbraw/zinc/98/95/76/1304989576.db2.gz MHRWBOFEOIQCGV-UHFFFAOYSA-N 1 0 338.433 2.374 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118631477 1308906846 /nfs/dbraw/zinc/90/68/46/1308906846.db2.gz VLIRPJPQVJBLNC-OAHLLOKOSA-N 1 0 332.404 2.147 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001149084203 1308982201 /nfs/dbraw/zinc/98/22/01/1308982201.db2.gz XSVFYKOFIGOCDN-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO [NH3+]C12CCC(c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)(CC1)CC2 ZINC001247638094 1310661140 /nfs/dbraw/zinc/66/11/40/1310661140.db2.gz FYTAQVZTTVIUPA-UHFFFAOYSA-N 1 0 333.323 2.482 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491018 1320516729 /nfs/dbraw/zinc/51/67/29/1320516729.db2.gz BRSLPAAVJCPSKI-UHFFFAOYSA-N 1 0 348.794 2.210 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000828840572 1314479121 /nfs/dbraw/zinc/47/91/21/1314479121.db2.gz SHDDKWACFYYANW-CYBMUJFWSA-N 1 0 333.388 2.158 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831721966 1314608783 /nfs/dbraw/zinc/60/87/83/1314608783.db2.gz QDDVZWMFAROQDI-KBPBESRZSA-N 1 0 332.404 2.029 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856591 1315624522 /nfs/dbraw/zinc/62/45/22/1315624522.db2.gz SZUSXIPLBKBTPG-LBPRGKRZSA-N 1 0 326.784 2.142 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476388 1315712356 /nfs/dbraw/zinc/71/23/56/1315712356.db2.gz NGOAUSMFKQXHPW-ZDUSSCGKSA-N 1 0 340.811 2.164 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000842513664 1315719168 /nfs/dbraw/zinc/71/91/68/1315719168.db2.gz PDCCGTNFHXFELL-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO [NH3+]CCCCCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842920528 1315798912 /nfs/dbraw/zinc/79/89/12/1315798912.db2.gz RXVPDZIQFLEDGM-UHFFFAOYSA-N 1 0 335.813 2.046 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000843114347 1315846230 /nfs/dbraw/zinc/84/62/30/1315846230.db2.gz RMRGEKQRXYXWIG-AEFFLSMTSA-N 1 0 330.384 2.212 20 5 EEBDRO COc1cc(Cc2noc(C3(C[NH3+])CCCC3)n2)ccc1[N+](=O)[O-] ZINC000843192398 1315863810 /nfs/dbraw/zinc/86/38/10/1315863810.db2.gz UFKNGZDZRNWUTD-UHFFFAOYSA-N 1 0 332.360 2.348 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843354231 1315897963 /nfs/dbraw/zinc/89/79/63/1315897963.db2.gz WBIHENVXXNDPLC-BREBYQMCSA-N 1 0 340.811 2.244 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843469301 1315919805 /nfs/dbraw/zinc/91/98/05/1315919805.db2.gz LHNFORLDCQJZIU-VHSXEESVSA-N 1 0 329.759 2.316 20 5 EEBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000843468786 1315919899 /nfs/dbraw/zinc/91/98/99/1315919899.db2.gz ZVYNCFJVGBDWSN-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC001149208614 1315930938 /nfs/dbraw/zinc/93/09/38/1315930938.db2.gz NXWMKLYLDWNPLV-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c[nH]1 ZINC001154567283 1317208399 /nfs/dbraw/zinc/20/83/99/1317208399.db2.gz MZNBMGSYADCMNK-UHFFFAOYSA-N 1 0 336.779 2.486 20 5 EEBDRO Cc1ncsc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155010177 1317419678 /nfs/dbraw/zinc/41/96/78/1317419678.db2.gz TWFBRDDNTAVGAP-UHFFFAOYSA-N 1 0 340.430 2.331 20 5 EEBDRO O=C(CC1CCOCC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155979139 1317813110 /nfs/dbraw/zinc/81/31/10/1317813110.db2.gz VLDQRIOMVJAUMV-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO CC(C)(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254467960 1318081726 /nfs/dbraw/zinc/08/17/26/1318081726.db2.gz HADUTWFGQRSUSG-OAHLLOKOSA-N 1 0 334.420 2.053 20 5 EEBDRO C[N@H+](Cc1cncnc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254482671 1318084213 /nfs/dbraw/zinc/08/42/13/1318084213.db2.gz MAWFNDSVMQAMJH-UHFFFAOYSA-N 1 0 327.388 2.486 20 5 EEBDRO COc1ccc([C@@H](O)C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577247 1318127680 /nfs/dbraw/zinc/12/76/80/1318127680.db2.gz DTASIGMRMLRTTE-QAPCUYQASA-N 1 0 328.368 2.394 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254577900 1318129856 /nfs/dbraw/zinc/12/98/56/1318129856.db2.gz HMPPCTQJNFYDSZ-MRXNPFEDSA-N 1 0 331.416 2.348 20 5 EEBDRO CN1CC2(CC1=O)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254610604 1318144255 /nfs/dbraw/zinc/14/42/55/1318144255.db2.gz LPZWHUIJWHHURB-MRXNPFEDSA-N 1 0 329.400 2.006 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@H](O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100465 1318647573 /nfs/dbraw/zinc/64/75/73/1318647573.db2.gz GKFXFGYPZXSYON-SJORKVTESA-N 1 0 349.431 2.321 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]2C1 ZINC001157692660 1318801623 /nfs/dbraw/zinc/80/16/23/1318801623.db2.gz YIIJWUWMSQORTD-STQMWFEESA-N 1 0 327.388 2.316 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(C)ncc1[N+](=O)[O-] ZINC001158296708 1319152332 /nfs/dbraw/zinc/15/23/32/1319152332.db2.gz MPCNKIDDIFMIRM-UHFFFAOYSA-N 1 0 341.371 2.455 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)[NH2+]CCc2ccccc23)n1 ZINC001159010747 1319556873 /nfs/dbraw/zinc/55/68/73/1319556873.db2.gz NGHKPFAJERBJRB-UHFFFAOYSA-N 1 0 339.399 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NC3CCN([C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC001161464748 1320508394 /nfs/dbraw/zinc/50/83/94/1320508394.db2.gz PLDDRGQWLWMUPO-INIZCTEOSA-N 1 0 341.415 2.381 20 5 EEBDRO [NH3+]C1(CC2CCC2)CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001161576601 1320545152 /nfs/dbraw/zinc/54/51/52/1320545152.db2.gz QSEOFFVKPKQPAH-UHFFFAOYSA-N 1 0 340.811 2.370 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161581955 1320546807 /nfs/dbraw/zinc/54/68/07/1320546807.db2.gz GJIQTEHMPKYFQL-UHFFFAOYSA-N 1 0 338.371 2.321 20 5 EEBDRO CC1(C)CC[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001162123069 1320755279 /nfs/dbraw/zinc/75/52/79/1320755279.db2.gz LMGPRKRTLAHXEV-GFCCVEGCSA-N 1 0 334.424 2.033 20 5 EEBDRO COC(=O)COc1c(C)cc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402810 1320846512 /nfs/dbraw/zinc/84/65/12/1320846512.db2.gz ALDWMXXMMMUKSW-NWDGAFQWSA-N 1 0 337.376 2.137 20 5 EEBDRO COc1nc(SC)nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162453641 1320860007 /nfs/dbraw/zinc/86/00/07/1320860007.db2.gz KYKIVWPJNGLHLS-UWVGGRQHSA-N 1 0 341.437 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001162791900 1320959937 /nfs/dbraw/zinc/95/99/37/1320959937.db2.gz FBZUKAZATFAGQC-RLCGTCKNSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)nn2)ccc1F ZINC001162803061 1320962570 /nfs/dbraw/zinc/96/25/70/1320962570.db2.gz PSFWHVZOALBAGJ-LALPHHSUSA-N 1 0 341.346 2.377 20 5 EEBDRO CC(C)(C)c1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163163410 1321055665 /nfs/dbraw/zinc/05/56/65/1321055665.db2.gz JKUICEDYGMKWFJ-UXIGCNINSA-N 1 0 334.420 2.324 20 5 EEBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163267064 1321081999 /nfs/dbraw/zinc/08/19/99/1321081999.db2.gz KFGCKLPYCFUEJH-WEDXCCLWSA-N 1 0 327.182 2.162 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163285507 1321087823 /nfs/dbraw/zinc/08/78/23/1321087823.db2.gz VKFSZOPAUYXMMB-CXAGYDPISA-N 1 0 335.404 2.482 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163284554 1321087955 /nfs/dbraw/zinc/08/79/55/1321087955.db2.gz MGDSIBANYBAPRZ-BDJLRTHQSA-N 1 0 331.376 2.042 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001163525357 1321149309 /nfs/dbraw/zinc/14/93/09/1321149309.db2.gz YZNJXKGLJMIUAU-UHFFFAOYSA-N 1 0 349.416 2.069 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164249521 1321329467 /nfs/dbraw/zinc/32/94/67/1321329467.db2.gz DQMCZOKFLJEKHK-INIZCTEOSA-N 1 0 336.392 2.122 20 5 EEBDRO COC(=O)Cc1ccc(NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001165289977 1321493730 /nfs/dbraw/zinc/49/37/30/1321493730.db2.gz NKBQLBOJMDEJQA-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165394891 1321515664 /nfs/dbraw/zinc/51/56/64/1321515664.db2.gz KRDMKXJYGGRIQP-GJZGRUSLSA-N 1 0 325.372 2.301 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165434252 1321525961 /nfs/dbraw/zinc/52/59/61/1321525961.db2.gz QMBLIZNMGYVLKL-DZYGNGBISA-N 1 0 349.410 2.035 20 5 EEBDRO COCc1nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165631960 1321555754 /nfs/dbraw/zinc/55/57/54/1321555754.db2.gz KABHWCVVZBXQTM-UHFFFAOYSA-N 1 0 344.158 2.232 20 5 EEBDRO COCc1nn(-c2nccc3cc([N+](=O)[O-])ccc32)c2c1C[NH2+]C2 ZINC001165633627 1321556316 /nfs/dbraw/zinc/55/63/16/1321556316.db2.gz IKWIFKZJWHTJRM-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001165908533 1321615372 /nfs/dbraw/zinc/61/53/72/1321615372.db2.gz JLZSKMKYNRBWGW-UHFFFAOYSA-N 1 0 342.403 2.239 20 5 EEBDRO CCc1nocc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001166121843 1321657879 /nfs/dbraw/zinc/65/78/79/1321657879.db2.gz ZZZMKABFLYQEHZ-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO [NH3+]C1CC(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001263088435 1322431170 /nfs/dbraw/zinc/43/11/70/1322431170.db2.gz JQMPUDGSZANHSR-UHFFFAOYSA-N 1 0 333.388 2.092 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC001308194025 1331570616 /nfs/dbraw/zinc/57/06/16/1331570616.db2.gz PEBLSFMYDGTOLP-UHFFFAOYSA-N 1 0 333.388 2.094 20 5 EEBDRO C[NH+]1CCN(C(C)(C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001318610071 1332567795 /nfs/dbraw/zinc/56/77/95/1332567795.db2.gz OTADQTGEYNZDLY-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001321744301 1333151655 /nfs/dbraw/zinc/15/16/55/1333151655.db2.gz RFHGHUKEBNWHRY-LSDHHAIUSA-N 1 0 349.435 2.179 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001322366784 1333254598 /nfs/dbraw/zinc/25/45/98/1333254598.db2.gz YNLVPMDPFSWUON-GOEBONIOSA-N 1 0 334.420 2.309 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001325995222 1334012404 /nfs/dbraw/zinc/01/24/04/1334012404.db2.gz ONHZRLOGYLLXFD-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001327750891 1334341826 /nfs/dbraw/zinc/34/18/26/1334341826.db2.gz CXQFPRXYQOGTAC-KGLIPLIRSA-N 1 0 336.348 2.106 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001328078242 1334390804 /nfs/dbraw/zinc/39/08/04/1334390804.db2.gz VWQJQTDQOANTTL-ZDUSSCGKSA-N 1 0 334.420 2.417 20 5 EEBDRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)oc1C ZINC001329133722 1334592437 /nfs/dbraw/zinc/59/24/37/1334592437.db2.gz DJDVRSRJTYDYQQ-HNNXBMFYSA-N 1 0 334.328 2.106 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001331973332 1335693304 /nfs/dbraw/zinc/69/33/04/1335693304.db2.gz OUZUOOVHUSVFCB-SWLSCSKDSA-N 1 0 347.394 2.267 20 5 EEBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001333294548 1335998133 /nfs/dbraw/zinc/99/81/33/1335998133.db2.gz XNFNHSAAFLCBRJ-MRVPVSSYSA-N 1 0 333.722 2.223 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001338722809 1336899381 /nfs/dbraw/zinc/89/93/81/1336899381.db2.gz WTLYBHXHEBHYQQ-WBMJQRKESA-N 1 0 329.356 2.245 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001338766512 1336905384 /nfs/dbraw/zinc/90/53/84/1336905384.db2.gz OVRATWPZHKSVND-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1C[NH2+]C1 ZINC001575063177 1343725838 /nfs/dbraw/zinc/72/58/38/1343725838.db2.gz SXSBRSSBJIKZHI-JMCQJSRRSA-N 1 0 349.284 2.309 20 5 EEBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001575670807 1343851293 /nfs/dbraw/zinc/85/12/93/1343851293.db2.gz OOUOMUKLLSOQEM-DOMZBBRYSA-N 1 0 344.419 2.293 20 5 EEBDRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001576008775 1343942364 /nfs/dbraw/zinc/94/23/64/1343942364.db2.gz SYVPKWIYNHBQIU-YVEFUNNKSA-N 1 0 328.372 2.084 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001589278657 1348977815 /nfs/dbraw/zinc/97/78/15/1348977815.db2.gz UBKSDBMJXCEHAK-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO CC(C)C[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001589629922 1349013534 /nfs/dbraw/zinc/01/35/34/1349013534.db2.gz MWJOBCXEEXFVIU-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001590273131 1349243456 /nfs/dbraw/zinc/24/34/56/1349243456.db2.gz VFUNGJJXELXRIR-JTQLQIEISA-N 1 0 334.405 2.102 20 5 EEBDRO CC[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001590445585 1349326765 /nfs/dbraw/zinc/32/67/65/1349326765.db2.gz FDMVLABBCFOTKO-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001593479935 1349812491 /nfs/dbraw/zinc/81/24/91/1349812491.db2.gz CLDSYFPTJZEQNT-QWHCGFSZSA-N 1 0 343.391 2.204 20 5 EEBDRO Cn1cncc1C1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001600993676 1350184754 /nfs/dbraw/zinc/18/47/54/1350184754.db2.gz RLZCDICYPLUWME-UHFFFAOYSA-N 1 0 344.371 2.406 20 5 EEBDRO CC(C)C[C@H]1COCCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603271042 1350676347 /nfs/dbraw/zinc/67/63/47/1350676347.db2.gz UYLLOZVATVAYOP-AWEZNQCLSA-N 1 0 346.391 2.022 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001603295065 1350681408 /nfs/dbraw/zinc/68/14/08/1350681408.db2.gz RXJGXXNHNOYIIQ-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555890 1368035725 /nfs/dbraw/zinc/03/57/25/1368035725.db2.gz JUFIXWIQQOYAAZ-MJBXVCDLSA-N 1 0 336.436 2.327 20 5 EEBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815557828 1368035868 /nfs/dbraw/zinc/03/58/68/1368035868.db2.gz GMGKYTXKRGAEKL-HZMBPMFUSA-N 1 0 327.388 2.484 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589103 1368042587 /nfs/dbraw/zinc/04/25/87/1368042587.db2.gz IRNUNOMTRGJLBS-JQFCIGGWSA-N 1 0 348.447 2.471 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001121699397 1371916135 /nfs/dbraw/zinc/91/61/35/1371916135.db2.gz JWAMDXQAPMDJNW-NWDGAFQWSA-N 1 0 348.407 2.385 20 5 EEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC001357777192 1373218665 /nfs/dbraw/zinc/21/86/65/1373218665.db2.gz AWEDWKHYSYSAFU-HNNXBMFYSA-N 1 0 335.379 2.457 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001576595411 1403587819 /nfs/dbraw/zinc/58/78/19/1403587819.db2.gz GJLTZKHTGSTUTM-FXPVBKGRSA-N 1 0 340.811 2.276 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ccc(F)cc1[N+](=O)[O-] ZINC001100576513 1410673211 /nfs/dbraw/zinc/67/32/11/1410673211.db2.gz GTKMNKLAPHEDBQ-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729790 720349788 /nfs/dbraw/zinc/34/97/88/720349788.db2.gz YCYJTGZAIMCGOP-CABCVRRESA-N 1 0 325.372 2.238 20 5 EEBDRO CN(C)/C=C/c1cc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167054775 757027594 /nfs/dbraw/zinc/02/75/94/757027594.db2.gz FHJBVPHGKLPSHI-LHRNQBEKSA-N 1 0 342.403 2.175 20 5 EEBDRO C[NH2+]Cc1cn(-c2ncnc(OC)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167123298 757353527 /nfs/dbraw/zinc/35/35/27/757353527.db2.gz KITMSBJZENJBFL-UHFFFAOYSA-N 1 0 327.344 2.365 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)n1 ZINC001167727103 765225230 /nfs/dbraw/zinc/22/52/30/765225230.db2.gz VFUKGNIWQQZRLR-UHFFFAOYSA-N 1 0 342.812 2.227 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NCC[NH+]1CCSCC1 ZINC001167834238 776889949 /nfs/dbraw/zinc/88/99/49/776889949.db2.gz DMRDASGBQHAQQG-UHFFFAOYSA-N 1 0 337.380 2.138 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236850387 778973113 /nfs/dbraw/zinc/97/31/13/778973113.db2.gz PNOYXMLFHYEMOZ-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000893702847 779420280 /nfs/dbraw/zinc/42/02/80/779420280.db2.gz IKVYYOWLHOZJKQ-JTQLQIEISA-N 1 0 338.282 2.054 20 5 EEBDRO COc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1[N+](=O)[O-] ZINC001167983209 781361962 /nfs/dbraw/zinc/36/19/62/781361962.db2.gz AYNXOLPFDYUWTB-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO O=C(COc1ccsc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171264956 790933085 /nfs/dbraw/zinc/93/30/85/790933085.db2.gz GHFGSCMIPBRWQK-UHFFFAOYSA-N 1 0 349.412 2.331 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2[nH]cnc21 ZINC001135626864 784099026 /nfs/dbraw/zinc/09/90/26/784099026.db2.gz YYJDHHCFMLUNTD-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972250 785367279 /nfs/dbraw/zinc/36/72/79/785367279.db2.gz HSAMNWFJKURSDN-SMDDNHRTSA-N 1 0 347.337 2.102 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819140015 785418751 /nfs/dbraw/zinc/41/87/51/785418751.db2.gz QWUQWMKWPZZOQM-PQUWFTINSA-N 1 0 340.445 2.298 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000908602612 785557779 /nfs/dbraw/zinc/55/77/79/785557779.db2.gz OYMJYPVZLDPXLU-AWEZNQCLSA-N 1 0 349.431 2.050 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCCC[C@H]1C ZINC000801816398 785719494 /nfs/dbraw/zinc/71/94/94/785719494.db2.gz DMEYLDYJDKHSNN-GHMZBOCLSA-N 1 0 338.383 2.309 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCCC[C@H]1C ZINC000801816399 785719558 /nfs/dbraw/zinc/71/95/58/785719558.db2.gz DMEYLDYJDKHSNN-MNOVXSKESA-N 1 0 338.383 2.309 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000996429190 786396254 /nfs/dbraw/zinc/39/62/54/786396254.db2.gz LOOQAMNKBAFUBF-ZIAGYGMSSA-N 1 0 345.390 2.058 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107321649 786859108 /nfs/dbraw/zinc/85/91/08/786859108.db2.gz IMDUKTQQGHFWAD-SNAWJCMRSA-N 1 0 338.383 2.160 20 5 EEBDRO O=C(c1ccsn1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996703749 787193562 /nfs/dbraw/zinc/19/35/62/787193562.db2.gz XWCNILSDMNZWJC-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825111827 788442004 /nfs/dbraw/zinc/44/20/04/788442004.db2.gz PZRODKXCNHNCEU-YOEHRIQHSA-N 1 0 349.431 2.257 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000825187791 788471697 /nfs/dbraw/zinc/47/16/97/788471697.db2.gz DATLEQYMYSHOGU-QWHCGFSZSA-N 1 0 332.404 2.052 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825401146 788613613 /nfs/dbraw/zinc/61/36/13/788613613.db2.gz ZIVCOUZCBAMOKE-LOUJCGABSA-N 1 0 349.431 2.111 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1([NH3+])Cc3ccccc3C1)CC2 ZINC000844160615 788905186 /nfs/dbraw/zinc/90/51/86/788905186.db2.gz LDYKDEIVGTUFNR-UHFFFAOYSA-N 1 0 337.379 2.289 20 5 EEBDRO CC(C)c1nocc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129279907 788962716 /nfs/dbraw/zinc/96/27/16/788962716.db2.gz ZLOWHORCEVFGIN-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780852 789295164 /nfs/dbraw/zinc/29/51/64/789295164.db2.gz XXQMIUGUUDDDHX-HOCLYGCPSA-N 1 0 329.404 2.318 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000923361823 789453330 /nfs/dbraw/zinc/45/33/30/789453330.db2.gz SRXSVMBUPZMQPY-RNCFNFMXSA-N 1 0 326.194 2.151 20 5 EEBDRO [NH3+][C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000923377867 789460956 /nfs/dbraw/zinc/46/09/56/789460956.db2.gz QUFQPOFEJJHZLW-CGTJXYLNSA-N 1 0 345.374 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000923561819 789780473 /nfs/dbraw/zinc/78/04/73/789780473.db2.gz MXGLXOSQIAULEY-QZTJIDSGSA-N 1 0 345.374 2.069 20 5 EEBDRO CC(C)c1oncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146441256 791268851 /nfs/dbraw/zinc/26/88/51/791268851.db2.gz JMUHGSHQXDQGEJ-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO O=C(COc1ccsc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001147935847 792041574 /nfs/dbraw/zinc/04/15/74/792041574.db2.gz OSPDHHUIIPURAR-UHFFFAOYSA-N 1 0 341.414 2.003 20 5 EEBDRO CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001094033654 795886406 /nfs/dbraw/zinc/88/64/06/795886406.db2.gz VSSQZHFGNIKBLY-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899825 797128903 /nfs/dbraw/zinc/12/89/03/797128903.db2.gz CXHJDZQRVSZBNP-WBVHZDCISA-N 1 0 349.431 2.102 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCC(F)(F)F ZINC001172900054 797128971 /nfs/dbraw/zinc/12/89/71/797128971.db2.gz BHIMTXRSACTNAP-GFCCVEGCSA-N 1 0 345.321 2.110 20 5 EEBDRO Cc1nc(=N)n([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1C[NH3+] ZINC001172906199 797132434 /nfs/dbraw/zinc/13/24/34/797132434.db2.gz MVZKPDUZRDOVGM-HNNXBMFYSA-N 1 0 327.388 2.158 20 5 EEBDRO CC(=O)NC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908408 797134354 /nfs/dbraw/zinc/13/43/54/797134354.db2.gz MHIHXIKVNHUWFS-QGZVFWFLSA-N 1 0 331.416 2.443 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3C[C@@H](CO)C3)CC2)c(F)c1 ZINC001173009782 797195398 /nfs/dbraw/zinc/19/53/98/797195398.db2.gz CCCMETJTYUFATQ-KLPPZKSPSA-N 1 0 341.358 2.202 20 5 EEBDRO O=C1CC(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010401 797195953 /nfs/dbraw/zinc/19/59/53/797195953.db2.gz HQLNFQUOFPDJRV-UHFFFAOYSA-N 1 0 339.342 2.411 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(CO)CCC2)c1F ZINC001173176545 797277146 /nfs/dbraw/zinc/27/71/46/797277146.db2.gz HWHSXSHEHUIIBK-NSHDSACASA-N 1 0 326.368 2.426 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(C)OCCO2)c1F ZINC001173180278 797278670 /nfs/dbraw/zinc/27/86/70/797278670.db2.gz UKYPKIJQJLZQGN-JTQLQIEISA-N 1 0 328.340 2.026 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](C)CNC(C)=O)c1F ZINC001173181541 797279335 /nfs/dbraw/zinc/27/93/35/797279335.db2.gz FVXKJFWILQONEX-WDEREUQCSA-N 1 0 341.383 2.035 20 5 EEBDRO CCc1onc(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175777332 798230663 /nfs/dbraw/zinc/23/06/63/798230663.db2.gz QIVWORABVVHFER-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO O=C(NC1CC[NH+](CCCc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786705 798608506 /nfs/dbraw/zinc/60/85/06/798608506.db2.gz FSJFAOKNUCWJMN-IAGOWNOFSA-N 1 0 349.406 2.004 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110227557 799751428 /nfs/dbraw/zinc/75/14/28/799751428.db2.gz CZCTZRASFKJIDP-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO Cc1nc[nH]c1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004281786 801603378 /nfs/dbraw/zinc/60/33/78/801603378.db2.gz MNCMGVFABLOOGW-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 ZINC001086289482 802680652 /nfs/dbraw/zinc/68/06/52/802680652.db2.gz VABYNHXKWRXBDP-SHTZXODSSA-N 1 0 340.383 2.288 20 5 EEBDRO CCOc1cnc(-n2cnc(C)c2CSCC[NH3+])c([N+](=O)[O-])c1 ZINC001168783654 803325616 /nfs/dbraw/zinc/32/56/16/803325616.db2.gz MXNYOTMDVVTFLG-UHFFFAOYSA-N 1 0 337.405 2.075 20 5 EEBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168986116 803542112 /nfs/dbraw/zinc/54/21/12/803542112.db2.gz VYOUABSKRLHFTJ-KURKYZTESA-N 1 0 345.443 2.255 20 5 EEBDRO CCCCCCOC(=O)CCC(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983694 803547304 /nfs/dbraw/zinc/54/73/04/803547304.db2.gz KSCZETSYRBQVQJ-HUUCEWRRSA-N 1 0 342.436 2.494 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967595 803553474 /nfs/dbraw/zinc/55/34/74/803553474.db2.gz RBSMUKKPPANQMP-MJBXVCDLSA-N 1 0 327.425 2.421 20 5 EEBDRO COc1ccccc1CN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030278 803576853 /nfs/dbraw/zinc/57/68/53/803576853.db2.gz XUEHQYLRRSALCJ-WBVHZDCISA-N 1 0 333.432 2.258 20 5 EEBDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019230 803587854 /nfs/dbraw/zinc/58/78/54/803587854.db2.gz FVNLUQROZRUDTA-IMJJTQAJSA-N 1 0 335.448 2.203 20 5 EEBDRO [NH3+]CCc1cn(-c2ccc3nsnc3c2[N+](=O)[O-])c2cccnc12 ZINC001169710829 803983771 /nfs/dbraw/zinc/98/37/71/803983771.db2.gz POFWJAGBUFDKFG-UHFFFAOYSA-N 1 0 340.368 2.440 20 5 EEBDRO [NH3+]Cc1ccn(-c2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001169717012 803990218 /nfs/dbraw/zinc/99/02/18/803990218.db2.gz UFTLTQXKVQIAML-UHFFFAOYSA-N 1 0 337.339 2.492 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109496421 805551622 /nfs/dbraw/zinc/55/16/22/805551622.db2.gz UOGZFVODWBGRQK-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788519520 807561851 /nfs/dbraw/zinc/56/18/51/807561851.db2.gz NILKIDLJINQTKN-LLVKDONJSA-N 1 0 328.372 2.387 20 5 EEBDRO COC(=O)C[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355329 809902912 /nfs/dbraw/zinc/90/29/12/809902912.db2.gz ZWYRDBMIXKUGKB-CHWSQXEVSA-N 1 0 336.388 2.419 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000793588354 810421504 /nfs/dbraw/zinc/42/15/04/810421504.db2.gz JABHUINSJOHABE-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO [NH3+]CCOCCOCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170510927 811949896 /nfs/dbraw/zinc/94/98/96/811949896.db2.gz GRCBHKFWMRVKGR-UHFFFAOYSA-N 1 0 337.298 2.017 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000808190729 812505924 /nfs/dbraw/zinc/50/59/24/812505924.db2.gz IHRDZSLXJJHBRV-CJNGLKHVSA-N 1 0 329.404 2.461 20 5 EEBDRO C[C@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC001526554272 1120542849 /nfs/dbraw/zinc/54/28/49/1120542849.db2.gz HNYNTIGJWSEJJC-RRQGHBQHSA-N 1 0 348.399 2.210 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189674502 529562602 /nfs/dbraw/zinc/56/26/02/529562602.db2.gz JXTFMXSNBXCJMS-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000080805797 201356465 /nfs/dbraw/zinc/35/64/65/201356465.db2.gz IUIMPPDKGHPNRG-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000422834512 240251647 /nfs/dbraw/zinc/25/16/47/240251647.db2.gz HPVQKGOYFIREMQ-NSHDSACASA-N 1 0 339.370 2.254 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000443515867 242124076 /nfs/dbraw/zinc/12/40/76/242124076.db2.gz LRFDAXIQZVGOIX-OAHLLOKOSA-N 1 0 334.401 2.100 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449616600 242576526 /nfs/dbraw/zinc/57/65/26/242576526.db2.gz DNCAHFXUDSPXHT-FVGKDHOHSA-N 1 0 337.807 2.423 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615592 243178594 /nfs/dbraw/zinc/17/85/94/243178594.db2.gz QCUVIHNHRBNADS-DYVFJYSZSA-N 1 0 330.388 2.358 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451829026 243283414 /nfs/dbraw/zinc/28/34/14/243283414.db2.gz ADUZDOCOGLKXDK-CYBMUJFWSA-N 1 0 335.404 2.403 20 5 EEBDRO Cc1c(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000262839606 245207301 /nfs/dbraw/zinc/20/73/01/245207301.db2.gz RBYMOOZPJFGAJX-LBPRGKRZSA-N 1 0 329.360 2.277 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1SC ZINC000262887622 245233128 /nfs/dbraw/zinc/23/31/28/245233128.db2.gz OEBNZIXMMRWMMW-VHSXEESVSA-N 1 0 339.417 2.196 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000101590889 204013912 /nfs/dbraw/zinc/01/39/12/204013912.db2.gz IJKALIQVGPYTIV-OAHLLOKOSA-N 1 0 336.319 2.271 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236900095 204089099 /nfs/dbraw/zinc/08/90/99/204089099.db2.gz OHNYEGKHMJOSKF-JTQLQIEISA-N 1 0 335.813 2.044 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000109992403 204298409 /nfs/dbraw/zinc/29/84/09/204298409.db2.gz RYRMPFHANKFLFM-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119058264 204624939 /nfs/dbraw/zinc/62/49/39/204624939.db2.gz MDGHAJIYIUKLBK-UHFFFAOYSA-N 1 0 332.404 2.467 20 5 EEBDRO COc1cc(N(C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000130139055 205225365 /nfs/dbraw/zinc/22/53/65/205225365.db2.gz CUEUONWUMBORQX-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000131529393 205292209 /nfs/dbraw/zinc/29/22/09/205292209.db2.gz ZEDVKDBHKCUGRR-HNNXBMFYSA-N 1 0 346.383 2.305 20 5 EEBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000133179516 205360406 /nfs/dbraw/zinc/36/04/06/205360406.db2.gz KKZKVJTUEVSPMR-UHFFFAOYSA-N 1 0 336.392 2.451 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155447187 206007367 /nfs/dbraw/zinc/00/73/67/206007367.db2.gz KRAQDTUWZQTWCQ-KGLIPLIRSA-N 1 0 333.388 2.160 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000493829518 246822664 /nfs/dbraw/zinc/82/26/64/246822664.db2.gz WYVVQKVLDOUFHQ-SBSDFTTDSA-N 1 0 335.429 2.162 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CO)CCOCC3)o2)c1 ZINC000265242260 247331226 /nfs/dbraw/zinc/33/12/26/247331226.db2.gz LUJWDGBAYSMPHO-UHFFFAOYSA-N 1 0 332.356 2.486 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160552638 206303305 /nfs/dbraw/zinc/30/33/05/206303305.db2.gz SBARCDRUNCIUEC-UHFFFAOYSA-N 1 0 344.209 2.429 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000269202768 255544376 /nfs/dbraw/zinc/54/43/76/255544376.db2.gz KUOWZFVOYOKKIW-IUODEOHRSA-N 1 0 332.404 2.004 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[N@H+](CC)CC1 ZINC000267261595 256042862 /nfs/dbraw/zinc/04/28/62/256042862.db2.gz WWAIFUIZAPXPSU-UHFFFAOYSA-N 1 0 339.367 2.443 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1C1CC1 ZINC000268037387 256106899 /nfs/dbraw/zinc/10/68/99/256106899.db2.gz WYOYJUWGLZOYAC-CMPLNLGQSA-N 1 0 328.372 2.431 20 5 EEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000270577227 256150109 /nfs/dbraw/zinc/15/01/09/256150109.db2.gz PQETVXCXRCHFGV-UAGQMJEPSA-N 1 0 349.431 2.282 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270528726 256144924 /nfs/dbraw/zinc/14/49/24/256144924.db2.gz NWYWAZZGXUDLRZ-OAHLLOKOSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912598 256186930 /nfs/dbraw/zinc/18/69/30/256186930.db2.gz SPZMHFAXCHDMOI-XHDPSFHLSA-N 1 0 340.383 2.356 20 5 EEBDRO Cc1ccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)cc1[N+](=O)[O-] ZINC000271124090 256210526 /nfs/dbraw/zinc/21/05/26/256210526.db2.gz GHKQSNRKMMNIGB-INIZCTEOSA-N 1 0 340.420 2.138 20 5 EEBDRO CS(=O)(=O)c1cccc(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000262490807 152284343 /nfs/dbraw/zinc/28/43/43/152284343.db2.gz KZLZUAXUUPVXAT-UHFFFAOYSA-N 1 0 327.406 2.072 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352224776 153013469 /nfs/dbraw/zinc/01/34/69/153013469.db2.gz CAGZZEYEEIBLDB-SECBINFHSA-N 1 0 341.314 2.163 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000370221787 155385799 /nfs/dbraw/zinc/38/57/99/155385799.db2.gz JDXFEABEPNRGND-UHFFFAOYSA-N 1 0 348.378 2.000 20 5 EEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[NH2+]CC1 ZINC000082086297 159160691 /nfs/dbraw/zinc/16/06/91/159160691.db2.gz USKVJZDHVCISTR-UHFFFAOYSA-N 1 0 332.385 2.154 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000089635996 159182896 /nfs/dbraw/zinc/18/28/96/159182896.db2.gz GIBJBGNHWQVDKG-NWDGAFQWSA-N 1 0 344.433 2.467 20 5 EEBDRO CCOc1cc(Sc2nnc(CC[NH3+])n2CC)ccc1[N+](=O)[O-] ZINC000092665027 159224754 /nfs/dbraw/zinc/22/47/54/159224754.db2.gz SYURNDHYVQKULB-UHFFFAOYSA-N 1 0 337.405 2.257 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247972692 160334971 /nfs/dbraw/zinc/33/49/71/160334971.db2.gz HMLUDYPYGCZJIM-NVXWUHKLSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000342451450 161066416 /nfs/dbraw/zinc/06/64/16/161066416.db2.gz PIYJGCPWDQAUPA-DZGCQCFKSA-N 1 0 342.399 2.326 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000342451451 161066493 /nfs/dbraw/zinc/06/64/93/161066493.db2.gz PIYJGCPWDQAUPA-HIFRSBDPSA-N 1 0 342.399 2.326 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000342588345 161076151 /nfs/dbraw/zinc/07/61/51/161076151.db2.gz LQTUKQWJTLEPSC-UHFFFAOYSA-N 1 0 347.293 2.147 20 5 EEBDRO C[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+]1C ZINC000343428327 161135374 /nfs/dbraw/zinc/13/53/74/161135374.db2.gz HIYVRTXVZDAEAM-XHDPSFHLSA-N 1 0 330.388 2.218 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)co2)cc1 ZINC000344062291 161194820 /nfs/dbraw/zinc/19/48/20/161194820.db2.gz NDRJKEKROGIXGQ-RCBQFDQVSA-N 1 0 329.356 2.453 20 5 EEBDRO COc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000344229562 161209424 /nfs/dbraw/zinc/20/94/24/161209424.db2.gz XRIVTMNRPKAXSS-UHFFFAOYSA-N 1 0 335.404 2.340 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344270722 161213123 /nfs/dbraw/zinc/21/31/23/161213123.db2.gz FGRWPRFNVRZFFT-UHFFFAOYSA-N 1 0 346.362 2.333 20 5 EEBDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000344937347 161257531 /nfs/dbraw/zinc/25/75/31/161257531.db2.gz RLSKRXKDDXUFPZ-PXAZEXFGSA-N 1 0 334.420 2.417 20 5 EEBDRO C[NH+](C)Cc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345940172 161344297 /nfs/dbraw/zinc/34/42/97/161344297.db2.gz XNCLLYNTFNTALX-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000355440867 163191307 /nfs/dbraw/zinc/19/13/07/163191307.db2.gz HUZRVGMNHJZAFB-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356288510 163394346 /nfs/dbraw/zinc/39/43/46/163394346.db2.gz KZCIATAJYOFFQG-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000359403289 164126982 /nfs/dbraw/zinc/12/69/82/164126982.db2.gz GUQMBFHSMOIACK-UHFFFAOYSA-N 1 0 349.431 2.143 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000359996529 164211947 /nfs/dbraw/zinc/21/19/47/164211947.db2.gz XBRNXDGGCGBBBU-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360048163 164223785 /nfs/dbraw/zinc/22/37/85/164223785.db2.gz RGKOGEUGWWAJPF-CYBMUJFWSA-N 1 0 333.310 2.401 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000159949928 287360463 /nfs/dbraw/zinc/36/04/63/287360463.db2.gz DXEHXSXJDNNBQB-GFCCVEGCSA-N 1 0 334.420 2.298 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272670516 269006534 /nfs/dbraw/zinc/00/65/34/269006534.db2.gz SZJYTISOTHQRMD-PBHICJAKSA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275181445 269101557 /nfs/dbraw/zinc/10/15/57/269101557.db2.gz WWZFCUBNIHXGKP-LDYMZIIASA-N 1 0 331.294 2.341 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000277243435 269144927 /nfs/dbraw/zinc/14/49/27/269144927.db2.gz YRECZUCRPIQESR-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277654124 269167681 /nfs/dbraw/zinc/16/76/81/269167681.db2.gz SUZUNRGVFPOPBW-GZMMTYOYSA-N 1 0 331.294 2.341 20 5 EEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361294 269274321 /nfs/dbraw/zinc/27/43/21/269274321.db2.gz WIQBEDBLVSBFCW-OCCSQVGLSA-N 1 0 326.418 2.162 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000279929748 269317542 /nfs/dbraw/zinc/31/75/42/269317542.db2.gz YAILGIIPOUZYME-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO C[NH2+]Cc1ccccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000237124400 274088238 /nfs/dbraw/zinc/08/82/38/274088238.db2.gz GWAWXKHPHFKVJA-UHFFFAOYSA-N 1 0 331.376 2.156 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892895 274119144 /nfs/dbraw/zinc/11/91/44/274119144.db2.gz BXYADEIUFGTYDB-KSYCFECVSA-N 1 0 345.399 2.469 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000274131197 274186559 /nfs/dbraw/zinc/18/65/59/274186559.db2.gz YKCNWRSLUSFZAN-ZJUUUORDSA-N 1 0 327.768 2.201 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCCCC2)cc1C ZINC000237666566 274723071 /nfs/dbraw/zinc/72/30/71/274723071.db2.gz ANNABNHLHBJJQL-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO CC(=O)c1cc(NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000288286708 275042733 /nfs/dbraw/zinc/04/27/33/275042733.db2.gz HLWIWJKZPVQVHU-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290193049 275188216 /nfs/dbraw/zinc/18/82/16/275188216.db2.gz QOJHQHALQSBTIH-SQRWCISFSA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274850 275405151 /nfs/dbraw/zinc/40/51/51/275405151.db2.gz SKZWMFLTCSNNDY-SUMWQHHRSA-N 1 0 327.384 2.385 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454247925 277303999 /nfs/dbraw/zinc/30/39/99/277303999.db2.gz UXVKEHNFLBZSOL-HNNXBMFYSA-N 1 0 343.387 2.064 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000130484854 278342214 /nfs/dbraw/zinc/34/22/14/278342214.db2.gz LZFWJOGPHVBHDM-GHMZBOCLSA-N 1 0 325.340 2.077 20 5 EEBDRO C[C@H]([NH3+])C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000110651331 279394213 /nfs/dbraw/zinc/39/42/13/279394213.db2.gz XHEARBIPUCSXSE-QMMMGPOBSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193645988 280047915 /nfs/dbraw/zinc/04/79/15/280047915.db2.gz ANSBOYPDUVGXTN-ZYHUDNBSSA-N 1 0 341.795 2.274 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338027508 289353534 /nfs/dbraw/zinc/35/35/34/289353534.db2.gz JEBJZBNWQAWZFT-HZSPNIEDSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293331521 293182568 /nfs/dbraw/zinc/18/25/68/293182568.db2.gz GPCRZHDMQQUYPA-PHIMTYICSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293758052 293287902 /nfs/dbraw/zinc/28/79/02/293287902.db2.gz ORUWWQCVPRJTGG-GFCCVEGCSA-N 1 0 349.412 2.302 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C2)C1 ZINC000293982427 293343292 /nfs/dbraw/zinc/34/32/92/293343292.db2.gz VRLOYKYIJMKYLI-OAHLLOKOSA-N 1 0 325.315 2.041 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000295103339 293614588 /nfs/dbraw/zinc/61/45/88/293614588.db2.gz KRGQQDWOBWUNCY-HNNXBMFYSA-N 1 0 334.347 2.436 20 5 EEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297405446 294234812 /nfs/dbraw/zinc/23/48/12/294234812.db2.gz CMXXXHNFBSSMJM-RCCFBDPRSA-N 1 0 344.415 2.420 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000298708523 294565893 /nfs/dbraw/zinc/56/58/93/294565893.db2.gz HCHCDYSCQZSYJJ-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO Cc1ccc(NCCCNc2cc[nH+]cc2C(N)=O)c([N+](=O)[O-])c1 ZINC000302227461 294945055 /nfs/dbraw/zinc/94/50/55/294945055.db2.gz QJILWZIZSPSGOR-UHFFFAOYSA-N 1 0 329.360 2.311 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391513 297286008 /nfs/dbraw/zinc/28/60/08/297286008.db2.gz WXLASEPIQAYCGG-IVMMDQJWSA-N 1 0 329.404 2.148 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261759436 303019359 /nfs/dbraw/zinc/01/93/59/303019359.db2.gz NWXRXRNBTBXTLP-CYBMUJFWSA-N 1 0 335.795 2.128 20 5 EEBDRO [NH3+]CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000352487835 303376620 /nfs/dbraw/zinc/37/66/20/303376620.db2.gz JIHHALFQHOKMDU-UHFFFAOYSA-N 1 0 334.420 2.374 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160969255 311360367 /nfs/dbraw/zinc/36/03/67/311360367.db2.gz LCOUMBLYSXFQRQ-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnnn1CC1CC1 ZINC000349424420 312303953 /nfs/dbraw/zinc/30/39/53/312303953.db2.gz MYXBHRUCRQYZOA-LBPRGKRZSA-N 1 0 330.392 2.102 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411935266 312590406 /nfs/dbraw/zinc/59/04/06/312590406.db2.gz BFKHROBTJXETSB-VMGRFDJRSA-N 1 0 338.404 2.128 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414247102 312986980 /nfs/dbraw/zinc/98/69/80/312986980.db2.gz CIZGXHIMPRICOL-LBPRGKRZSA-N 1 0 328.434 2.329 20 5 EEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361019 314091489 /nfs/dbraw/zinc/09/14/89/314091489.db2.gz KBENYQKMMAYAAI-KGLIPLIRSA-N 1 0 344.415 2.446 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425547849 314419604 /nfs/dbraw/zinc/41/96/04/314419604.db2.gz VWUYQTMHZDWFQU-ZDUSSCGKSA-N 1 0 332.404 2.454 20 5 EEBDRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443454692 315248085 /nfs/dbraw/zinc/24/80/85/315248085.db2.gz OOYALUBTBUTOBP-GFCCVEGCSA-N 1 0 349.412 2.234 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000444261769 315285772 /nfs/dbraw/zinc/28/57/72/315285772.db2.gz ZSGQVMOKOSGNSX-SNVBAGLBSA-N 1 0 331.294 2.486 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448705569 315378849 /nfs/dbraw/zinc/37/88/49/315378849.db2.gz BYGGPTUEBVFCKE-UHFFFAOYSA-N 1 0 343.387 2.201 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448726046 315381952 /nfs/dbraw/zinc/38/19/52/315381952.db2.gz RDLHIHFZMLEAFK-HUUCEWRRSA-N 1 0 345.399 2.301 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000519854690 316835997 /nfs/dbraw/zinc/83/59/97/316835997.db2.gz YYAISCMUIDEDDE-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000527054860 317146688 /nfs/dbraw/zinc/14/66/88/317146688.db2.gz LQZHCZXXEDTOJG-QXSWTLKVSA-N 1 0 344.415 2.488 20 5 EEBDRO CC(C)OC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000530687535 317740704 /nfs/dbraw/zinc/74/07/04/317740704.db2.gz VOLQMPBGXUCWSY-HNNXBMFYSA-N 1 0 338.404 2.224 20 5 EEBDRO CCC(C)(C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000556422239 318619904 /nfs/dbraw/zinc/61/99/04/318619904.db2.gz NFLDRJYDMHPRAO-GFCCVEGCSA-N 1 0 343.449 2.287 20 5 EEBDRO Cc1nccn1CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564845752 319117542 /nfs/dbraw/zinc/11/75/42/319117542.db2.gz XABVUXKVDFPDPF-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000564942428 319131199 /nfs/dbraw/zinc/13/11/99/319131199.db2.gz KVXBASDFJUFMTQ-UONOGXRCSA-N 1 0 332.404 2.098 20 5 EEBDRO CSc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000567262196 319364485 /nfs/dbraw/zinc/36/44/85/319364485.db2.gz GBICSIUTIWXSET-ZDUSSCGKSA-N 1 0 349.412 2.241 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181663698 323352109 /nfs/dbraw/zinc/35/21/09/323352109.db2.gz YJOJBPSILNGLIZ-JTQLQIEISA-N 1 0 343.330 2.268 20 5 EEBDRO COC(=O)c1cnc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000582156617 324390747 /nfs/dbraw/zinc/39/07/47/324390747.db2.gz NHBMLMADIJFMSG-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000516087038 448381066 /nfs/dbraw/zinc/38/10/66/448381066.db2.gz ZLLXGQIJRATWCB-GFCCVEGCSA-N 1 0 337.424 2.272 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000341211757 465058859 /nfs/dbraw/zinc/05/88/59/465058859.db2.gz PMFJDJOJEREHAB-WMZOPIPTSA-N 1 0 346.383 2.048 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC(F)(F)F ZINC000358373496 465085549 /nfs/dbraw/zinc/08/55/49/465085549.db2.gz XWDINKTYLYTMFX-ONGXEEELSA-N 1 0 349.309 2.215 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](SC)C1 ZINC000296329865 465159521 /nfs/dbraw/zinc/15/95/21/465159521.db2.gz PFTGUIGBAVSHKK-GFCCVEGCSA-N 1 0 339.417 2.369 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521129876 468290906 /nfs/dbraw/zinc/29/09/06/468290906.db2.gz RNSZCTMAYCGFQP-CQSZACIVSA-N 1 0 335.404 2.137 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045409931 462583870 /nfs/dbraw/zinc/58/38/70/462583870.db2.gz GOERXQKLOUSBJE-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO COCCOCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113328246 462589154 /nfs/dbraw/zinc/58/91/54/462589154.db2.gz URCJRYILGGASOQ-UHFFFAOYSA-N 1 0 337.401 2.471 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153080086 462613788 /nfs/dbraw/zinc/61/37/88/462613788.db2.gz KECUFLLSNIWSQF-CYBMUJFWSA-N 1 0 335.379 2.410 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114675239 462669781 /nfs/dbraw/zinc/66/97/81/462669781.db2.gz YODWRFJEUALOLY-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115273190 462703917 /nfs/dbraw/zinc/70/39/17/462703917.db2.gz CFFHNZZNWHDDGB-PBHICJAKSA-N 1 0 349.431 2.462 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000153926082 462709618 /nfs/dbraw/zinc/70/96/18/462709618.db2.gz PAVBXENBRGJZPJ-HNNXBMFYSA-N 1 0 335.404 2.162 20 5 EEBDRO CCOc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000046957000 462727304 /nfs/dbraw/zinc/72/73/04/462727304.db2.gz DUZDZZNNGUOKQK-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000119290307 462887219 /nfs/dbraw/zinc/88/72/19/462887219.db2.gz DVAAOMNDBRILJC-AWEZNQCLSA-N 1 0 334.420 2.101 20 5 EEBDRO C[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000521620635 468324028 /nfs/dbraw/zinc/32/40/28/468324028.db2.gz NYKZSZKITTUUNL-ZDUSSCGKSA-N 1 0 335.404 2.116 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092630379 462966713 /nfs/dbraw/zinc/96/67/13/462966713.db2.gz BNXWJEARXVDNBH-IYBDPMFKSA-N 1 0 347.463 2.293 20 5 EEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC1 ZINC000579258455 468334128 /nfs/dbraw/zinc/33/41/28/468334128.db2.gz NKIUJAVFIQYLOL-UHFFFAOYSA-N 1 0 338.383 2.077 20 5 EEBDRO CCN(c1ccncc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120983110 463062583 /nfs/dbraw/zinc/06/25/83/463062583.db2.gz PKBGKCUAWKHBEF-UHFFFAOYSA-N 1 0 335.385 2.389 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000067998379 463078896 /nfs/dbraw/zinc/07/88/96/463078896.db2.gz DGJVNPSTBBYJJL-VOTDVEDPSA-N 1 0 347.415 2.224 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000068115424 463095361 /nfs/dbraw/zinc/09/53/61/463095361.db2.gz AREGGLAKSBGXRV-GFCCVEGCSA-N 1 0 345.403 2.323 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH+](C)C ZINC000068265390 463113982 /nfs/dbraw/zinc/11/39/82/463113982.db2.gz PDULYRYWSCKEMN-JTQLQIEISA-N 1 0 343.811 2.472 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052931960 463118998 /nfs/dbraw/zinc/11/89/98/463118998.db2.gz KQFNESNNAMCXEG-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026218828 463154303 /nfs/dbraw/zinc/15/43/03/463154303.db2.gz MGJMETCTCCGPBS-CYBMUJFWSA-N 1 0 349.387 2.199 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000026256865 463156804 /nfs/dbraw/zinc/15/68/04/463156804.db2.gz GGCHSLMYTUMJAO-UHFFFAOYSA-N 1 0 331.376 2.097 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000069129492 463211734 /nfs/dbraw/zinc/21/17/34/463211734.db2.gz WHQKMHRFMURIFM-SECBINFHSA-N 1 0 347.824 2.009 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054511751 463240956 /nfs/dbraw/zinc/24/09/56/463240956.db2.gz ZTILKSAIWAUONE-CQSZACIVSA-N 1 0 334.420 2.468 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000079832740 463253367 /nfs/dbraw/zinc/25/33/67/463253367.db2.gz VFZIBBKUVPOVEQ-UHFFFAOYSA-N 1 0 330.392 2.421 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080000030 463270186 /nfs/dbraw/zinc/27/01/86/463270186.db2.gz KXELXPLJKHQXSQ-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CN(CC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000080254353 463301445 /nfs/dbraw/zinc/30/14/45/463301445.db2.gz PCCFYYXFESRBIK-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO COc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055400968 463316938 /nfs/dbraw/zinc/31/69/38/463316938.db2.gz WCILHPNGHZGDGN-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056334496 463393326 /nfs/dbraw/zinc/39/33/26/463393326.db2.gz UAVMAGFUNPBZRQ-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150798241 463429980 /nfs/dbraw/zinc/42/99/80/463429980.db2.gz RSEJFARRFWUSTP-HNNXBMFYSA-N 1 0 346.431 2.259 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150882130 463446421 /nfs/dbraw/zinc/44/64/21/463446421.db2.gz PHQWZSWEKQIHAG-AWEZNQCLSA-N 1 0 346.431 2.409 20 5 EEBDRO CC(C)[NH2+]CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161976069 463473685 /nfs/dbraw/zinc/47/36/85/463473685.db2.gz JUFWZVWXPGOQQY-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO CCOc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000162374676 463504976 /nfs/dbraw/zinc/50/49/76/463504976.db2.gz KEHOGIZSTISMGK-MNOVXSKESA-N 1 0 337.376 2.002 20 5 EEBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@H+](C)C1CC1 ZINC000057705270 463509930 /nfs/dbraw/zinc/50/99/30/463509930.db2.gz GHIQEJBMOSMVFB-GFCCVEGCSA-N 1 0 330.388 2.148 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000125351577 463533805 /nfs/dbraw/zinc/53/38/05/463533805.db2.gz OSSIPKKSLYDPPS-BLLLJJGKSA-N 1 0 333.388 2.105 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072815557 463547802 /nfs/dbraw/zinc/54/78/02/463547802.db2.gz VEEWYLICZCXWBC-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000151792548 463591942 /nfs/dbraw/zinc/59/19/42/463591942.db2.gz SIGKZZNOWXVWFE-NSHDSACASA-N 1 0 337.376 2.019 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000152268951 463669473 /nfs/dbraw/zinc/66/94/73/463669473.db2.gz VVKNXRNVPXWTAC-ZDUSSCGKSA-N 1 0 335.404 2.467 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000112311153 463698214 /nfs/dbraw/zinc/69/82/14/463698214.db2.gz NFDUHVGGOFMPFW-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000170995572 463756344 /nfs/dbraw/zinc/75/63/44/463756344.db2.gz YPILKMFHIFWFFM-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO CNC(=O)OC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000286993877 463766263 /nfs/dbraw/zinc/76/62/63/463766263.db2.gz PQQGJHQTBRQBOO-ZDUSSCGKSA-N 1 0 325.340 2.444 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177862241 463805981 /nfs/dbraw/zinc/80/59/81/463805981.db2.gz WECUUQSAJVVQPE-HNNXBMFYSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000268926668 463811443 /nfs/dbraw/zinc/81/14/43/463811443.db2.gz AYYDTKULOQHXJL-JKSUJKDBSA-N 1 0 334.420 2.478 20 5 EEBDRO CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000194188119 463812161 /nfs/dbraw/zinc/81/21/61/463812161.db2.gz CKZLGKFWFNLIBD-OAHLLOKOSA-N 1 0 343.449 2.307 20 5 EEBDRO COc1cc(OCc2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000261720705 463839393 /nfs/dbraw/zinc/83/93/93/463839393.db2.gz JMLSHKJCSWHTMP-UHFFFAOYSA-N 1 0 334.332 2.293 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447010 463888002 /nfs/dbraw/zinc/88/80/02/463888002.db2.gz KNQZLXANVLJILC-MNOVXSKESA-N 1 0 338.383 2.166 20 5 EEBDRO COc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000186178356 463947866 /nfs/dbraw/zinc/94/78/66/463947866.db2.gz XUEQNYZXGKBLEW-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1[N+](=O)[O-] ZINC000278947180 464011804 /nfs/dbraw/zinc/01/18/04/464011804.db2.gz GUCYOWFRZAUETO-WCQYABFASA-N 1 0 343.387 2.194 20 5 EEBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279235582 464073776 /nfs/dbraw/zinc/07/37/76/464073776.db2.gz FIXJJTFLDTYNMO-BLLLJJGKSA-N 1 0 333.388 2.057 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]3CCO)n2)cc1 ZINC000279369965 464093827 /nfs/dbraw/zinc/09/38/27/464093827.db2.gz XADJQZFPDYUQAX-RISCZKNCSA-N 1 0 332.360 2.286 20 5 EEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCOC(C)(C)C1 ZINC000279664823 464125250 /nfs/dbraw/zinc/12/52/50/464125250.db2.gz DGQORBSSWWWKOL-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CO)C1 ZINC000263850601 464215519 /nfs/dbraw/zinc/21/55/19/464215519.db2.gz GMYISJQXRGXGRO-RYUDHWBXSA-N 1 0 332.360 2.410 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000180009381 464223633 /nfs/dbraw/zinc/22/36/33/464223633.db2.gz GVXLTHNCAAQJOI-SJORKVTESA-N 1 0 346.431 2.498 20 5 EEBDRO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237309756 464303048 /nfs/dbraw/zinc/30/30/48/464303048.db2.gz IUZUQDLYIQSBDZ-UHFFFAOYSA-N 1 0 340.426 2.458 20 5 EEBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173995625 464347552 /nfs/dbraw/zinc/34/75/52/464347552.db2.gz AQUVDBIJAALFJG-AEFFLSMTSA-N 1 0 346.431 2.414 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761955 464373849 /nfs/dbraw/zinc/37/38/49/464373849.db2.gz VOTRLLCOAUNNDY-IUODEOHRSA-N 1 0 340.330 2.171 20 5 EEBDRO CC1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000174314728 464392506 /nfs/dbraw/zinc/39/25/06/464392506.db2.gz RWJNLMLFHORFEG-UHFFFAOYSA-N 1 0 341.433 2.041 20 5 EEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000281397888 464439113 /nfs/dbraw/zinc/43/91/13/464439113.db2.gz XISNMTPKNBCKCG-KRWDZBQOSA-N 1 0 336.388 2.387 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189129819 464440186 /nfs/dbraw/zinc/44/01/86/464440186.db2.gz CQXHARFXBMBSKW-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000272188432 464511843 /nfs/dbraw/zinc/51/18/43/464511843.db2.gz MXDJFSHPLHMKSV-CYBMUJFWSA-N 1 0 334.420 2.195 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285371788 464541104 /nfs/dbraw/zinc/54/11/04/464541104.db2.gz QZADQMXBRYKYKL-UHFFFAOYSA-N 1 0 341.433 2.091 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272407460 464596250 /nfs/dbraw/zinc/59/62/50/464596250.db2.gz KLRCURYPASUZPZ-SNVBAGLBSA-N 1 0 348.346 2.355 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCCC1 ZINC000182241529 464608384 /nfs/dbraw/zinc/60/83/84/464608384.db2.gz YNQYOVAWPDVESE-LBPRGKRZSA-N 1 0 349.387 2.318 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@@H+]1CCCOCC1 ZINC000294848109 464623584 /nfs/dbraw/zinc/62/35/84/464623584.db2.gz CANPAJOKYUUEMK-UHFFFAOYSA-N 1 0 346.387 2.286 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000272487239 464628633 /nfs/dbraw/zinc/62/86/33/464628633.db2.gz MRRDJBIJEWPWTB-XHDPSFHLSA-N 1 0 328.372 2.242 20 5 EEBDRO CC[N@@H+](Cc1c[nH]c2ccccc12)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190474098 464653705 /nfs/dbraw/zinc/65/37/05/464653705.db2.gz WECXLKFSKZPILT-OAHLLOKOSA-N 1 0 343.387 2.156 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000591144266 468414929 /nfs/dbraw/zinc/41/49/29/468414929.db2.gz DPRMRHNQWCOHOP-DLBZAZTESA-N 1 0 342.399 2.178 20 5 EEBDRO COC(=O)C[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000272874702 464693246 /nfs/dbraw/zinc/69/32/46/464693246.db2.gz UDRGBJRHBPNNDE-CYBMUJFWSA-N 1 0 345.355 2.220 20 5 EEBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282419056 464811925 /nfs/dbraw/zinc/81/19/25/464811925.db2.gz QPXAILZVVUWPLX-SMDDNHRTSA-N 1 0 344.371 2.049 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295403885 464818481 /nfs/dbraw/zinc/81/84/81/464818481.db2.gz UUTWEWITBGWIHD-UHFFFAOYSA-N 1 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CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000415073297 467482738 /nfs/dbraw/zinc/48/27/38/467482738.db2.gz YEKQOEPDQZKHCX-AWEZNQCLSA-N 1 0 349.362 2.278 20 5 EEBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000407993218 467490973 /nfs/dbraw/zinc/49/09/73/467490973.db2.gz XCSRHJNXNHHCSM-UHFFFAOYSA-N 1 0 329.400 2.354 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(C)C ZINC000448980926 467610303 /nfs/dbraw/zinc/61/03/03/467610303.db2.gz RKHKQMXJADIFLZ-UHFFFAOYSA-N 1 0 345.403 2.445 20 5 EEBDRO [NH3+]C1CCC(OCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000449165269 467621590 /nfs/dbraw/zinc/62/15/90/467621590.db2.gz UZFLDLLKCOGTOF-UHFFFAOYSA-N 1 0 347.415 2.372 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449585028 467666544 /nfs/dbraw/zinc/66/65/44/467666544.db2.gz KMGAKSZZZJKQJD-QWHCGFSZSA-N 1 0 345.403 2.266 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000458480671 467843192 /nfs/dbraw/zinc/84/31/92/467843192.db2.gz RQHNLJODQAHPHW-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)[N@H+]1CCO ZINC000450796172 467910215 /nfs/dbraw/zinc/91/02/15/467910215.db2.gz VPWGLEPDVHWNJL-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000514735468 467951830 /nfs/dbraw/zinc/95/18/30/467951830.db2.gz DLXSKQLKHKSHGA-OAHLLOKOSA-N 1 0 346.387 2.409 20 5 EEBDRO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]1OC ZINC000486018823 468011110 /nfs/dbraw/zinc/01/11/10/468011110.db2.gz NLYJPJMYZCQZKZ-ZACQAIPSSA-N 1 0 331.372 2.478 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487115485 468023602 /nfs/dbraw/zinc/02/36/02/468023602.db2.gz PBYJLYXCYZPMQO-MRXNPFEDSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487225033 468029279 /nfs/dbraw/zinc/02/92/79/468029279.db2.gz VXMLCWGKIYGDCE-GXFFZTMASA-N 1 0 325.796 2.105 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000517795916 468098013 /nfs/dbraw/zinc/09/80/13/468098013.db2.gz TZSLMLVLHJPDMX-LLVKDONJSA-N 1 0 325.796 2.249 20 5 EEBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000488761106 468103297 /nfs/dbraw/zinc/10/32/97/468103297.db2.gz FSTNYYYYGPTDDR-GXTWGEPZSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000488980220 468114459 /nfs/dbraw/zinc/11/44/59/468114459.db2.gz JCVIGZBOCHYIAP-GFCCVEGCSA-N 1 0 345.403 2.169 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(F)cc2)c1 ZINC000549695826 468193106 /nfs/dbraw/zinc/19/31/06/468193106.db2.gz CBONYWQOSFNBTM-MRXNPFEDSA-N 1 0 334.347 2.306 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490302928 468206065 /nfs/dbraw/zinc/20/60/65/468206065.db2.gz VNRBYQBJFZOSGL-OAHLLOKOSA-N 1 0 335.404 2.162 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000578499417 468207599 /nfs/dbraw/zinc/20/75/99/468207599.db2.gz MAIIKQGGMIWOIH-SFHVURJKSA-N 1 0 342.395 2.339 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520363417 468245307 /nfs/dbraw/zinc/24/53/07/468245307.db2.gz KUBHLCPJTPMZIJ-CHWSQXEVSA-N 1 0 336.436 2.420 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591749468 468514241 /nfs/dbraw/zinc/51/42/41/468514241.db2.gz QZCNMBQALHBOOH-HIFRSBDPSA-N 1 0 331.372 2.123 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594234477 468523698 /nfs/dbraw/zinc/52/36/98/468523698.db2.gz XJHQUKMSTKJFIM-NVXWUHKLSA-N 1 0 346.431 2.453 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600315253 468530443 /nfs/dbraw/zinc/53/04/43/468530443.db2.gz QPEHWZXMRMMEBQ-AWEZNQCLSA-N 1 0 347.415 2.406 20 5 EEBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000582661200 468574828 /nfs/dbraw/zinc/57/48/28/468574828.db2.gz UBPHCPOEDZEIJQ-INIZCTEOSA-N 1 0 331.372 2.136 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594434037 468584330 /nfs/dbraw/zinc/58/43/30/468584330.db2.gz JNYZVHBFNCKWFA-WMZOPIPTSA-N 1 0 331.416 2.423 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735202 468587775 /nfs/dbraw/zinc/58/77/75/468587775.db2.gz DMXYJKJWTCVFNF-RHSMWYFYSA-N 1 0 333.432 2.265 20 5 EEBDRO CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600762477 468650539 /nfs/dbraw/zinc/65/05/39/468650539.db2.gz MPBYALGMVWSYOM-DOTOQJQBSA-N 1 0 332.404 2.153 20 5 EEBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000592333673 468679089 /nfs/dbraw/zinc/67/90/89/468679089.db2.gz NOEKAOGWFKKUHQ-RYUDHWBXSA-N 1 0 343.387 2.240 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592332545 468679103 /nfs/dbraw/zinc/67/91/03/468679103.db2.gz KISUCGNATPHTAW-HZMBPMFUSA-N 1 0 344.371 2.048 20 5 EEBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000592544711 468727417 /nfs/dbraw/zinc/72/74/17/468727417.db2.gz IEUHPPNAXXNYDJ-QMTHXVAHSA-N 1 0 325.796 2.377 20 5 EEBDRO COc1c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598259973 468809168 /nfs/dbraw/zinc/80/91/68/468809168.db2.gz HQAAFOFOFLLQHV-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595439446 468853263 /nfs/dbraw/zinc/85/32/63/468853263.db2.gz IAALPZHOKMJJRT-TZMCWYRMSA-N 1 0 340.424 2.118 20 5 EEBDRO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593056355 468854360 /nfs/dbraw/zinc/85/43/60/468854360.db2.gz GWAMCILTLZJKNY-ZFWWWQNUSA-N 1 0 338.404 2.224 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000601427562 468868756 /nfs/dbraw/zinc/86/87/56/468868756.db2.gz DHOJFIULPCSDSK-UHFFFAOYSA-N 1 0 347.462 2.070 20 5 EEBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000595517835 468885658 /nfs/dbraw/zinc/88/56/58/468885658.db2.gz FMQIXIRTHXKLGJ-UHFFFAOYSA-N 1 0 332.360 2.303 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593188883 468899430 /nfs/dbraw/zinc/89/94/30/468899430.db2.gz DRZWSLBRZUPQGN-MXWKQRLJSA-N 1 0 331.376 2.024 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000593189939 468900366 /nfs/dbraw/zinc/90/03/66/468900366.db2.gz CYSWEMCIBHFVNN-GMTAPVOTSA-N 1 0 339.367 2.296 20 5 EEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1(C[NH3+])CCC1 ZINC000584780676 468935333 /nfs/dbraw/zinc/93/53/33/468935333.db2.gz RPEKHQYUSHZTBD-UHFFFAOYSA-N 1 0 346.431 2.151 20 5 EEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000598669999 468952467 /nfs/dbraw/zinc/95/24/67/468952467.db2.gz PQROKARMCUVDBX-YVEFUNNKSA-N 1 0 330.388 2.123 20 5 EEBDRO Cc1cc(N2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000602624437 468971100 /nfs/dbraw/zinc/97/11/00/468971100.db2.gz BDNYXFMGJWDVIC-UHFFFAOYSA-N 1 0 329.404 2.427 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595727381 468973227 /nfs/dbraw/zinc/97/32/27/468973227.db2.gz BQCPSOAQAPYPIS-UONOGXRCSA-N 1 0 333.388 2.094 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587019758 469085363 /nfs/dbraw/zinc/08/53/63/469085363.db2.gz RRBSTWJKUSDIAD-UHFFFAOYSA-N 1 0 347.419 2.070 20 5 EEBDRO CN(CC[NH+]1CCCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593701540 469101645 /nfs/dbraw/zinc/10/16/45/469101645.db2.gz FFCMMNJAJIECMC-UHFFFAOYSA-N 1 0 335.404 2.284 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000596065021 469135632 /nfs/dbraw/zinc/13/56/32/469135632.db2.gz NHRHPOUDOLQYNB-YOEHRIQHSA-N 1 0 338.404 2.129 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588866353 469174555 /nfs/dbraw/zinc/17/45/55/469174555.db2.gz PHHYRCKHFGQXEA-LBPRGKRZSA-N 1 0 349.435 2.318 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596170382 469184662 /nfs/dbraw/zinc/18/46/62/469184662.db2.gz SQZGHDFCQWEUAO-UHFFFAOYSA-N 1 0 336.436 2.498 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195908 469188525 /nfs/dbraw/zinc/18/85/25/469188525.db2.gz MIUBXBTYOKGKAB-LBPRGKRZSA-N 1 0 328.372 2.290 20 5 EEBDRO NC(=O)c1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596199802 469197903 /nfs/dbraw/zinc/19/79/03/469197903.db2.gz JDJKZLUFFPDHNU-CQSZACIVSA-N 1 0 332.404 2.148 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997175 469213428 /nfs/dbraw/zinc/21/34/28/469213428.db2.gz FEDBDUCPCSNMOZ-XIRDDKMYSA-N 1 0 347.415 2.467 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596230639 469213937 /nfs/dbraw/zinc/21/39/37/469213937.db2.gz BDUYYXFYYQAKBL-UHFFFAOYSA-N 1 0 346.387 2.245 20 5 EEBDRO C[C@@H](CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+](C)C ZINC000596428078 469263809 /nfs/dbraw/zinc/26/38/09/469263809.db2.gz DTFXECYAFVZOLQ-LBPRGKRZSA-N 1 0 345.403 2.311 20 5 EEBDRO NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571181 469303766 /nfs/dbraw/zinc/30/37/66/469303766.db2.gz PLGDRCVALNSTFN-ZDUSSCGKSA-N 1 0 332.404 2.228 20 5 EEBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648317 469321623 /nfs/dbraw/zinc/32/16/23/469321623.db2.gz OZYYBSBZHZBVCO-OAHLLOKOSA-N 1 0 329.404 2.279 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602507804 469343681 /nfs/dbraw/zinc/34/36/81/469343681.db2.gz KNJRQPNSYGKTFP-AWEZNQCLSA-N 1 0 348.403 2.182 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602526245 469349778 /nfs/dbraw/zinc/34/97/78/469349778.db2.gz GHUVOMHNUQVTNB-AWEZNQCLSA-N 1 0 325.796 2.247 20 5 EEBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1 ZINC000602531351 469351512 /nfs/dbraw/zinc/35/15/12/469351512.db2.gz HKQNLEWXZAMXTC-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000603422794 469390299 /nfs/dbraw/zinc/39/02/99/469390299.db2.gz JAAFNPBHUZWSQV-UHFFFAOYSA-N 1 0 334.420 2.396 20 5 EEBDRO CN(C)[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccco1 ZINC000604532407 469488254 /nfs/dbraw/zinc/48/82/54/469488254.db2.gz QZWDHVHRHVLKIV-AWEZNQCLSA-N 1 0 347.371 2.352 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC000619511669 469630107 /nfs/dbraw/zinc/63/01/07/469630107.db2.gz KMMWMZMOUGUUOZ-OAHLLOKOSA-N 1 0 335.404 2.295 20 5 EEBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000619844806 469689274 /nfs/dbraw/zinc/68/92/74/469689274.db2.gz ZHEFGFILNCDVJZ-LBPRGKRZSA-N 1 0 343.449 2.145 20 5 EEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609153974 469897441 /nfs/dbraw/zinc/89/74/41/469897441.db2.gz LMJGXIASPXGWCA-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609290157 469912666 /nfs/dbraw/zinc/91/26/66/469912666.db2.gz DOABZJWFRJHAFI-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000609626455 469950848 /nfs/dbraw/zinc/95/08/48/469950848.db2.gz RVRQZQYVNVTXPK-GOSISDBHSA-N 1 0 333.432 2.324 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000618445594 469990613 /nfs/dbraw/zinc/99/06/13/469990613.db2.gz CJZGUTPLMZTEKJ-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000583101038 485579679 /nfs/dbraw/zinc/57/96/79/485579679.db2.gz HDCSZIXFTCTRLA-AWEZNQCLSA-N 1 0 334.420 2.121 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000265067044 536461390 /nfs/dbraw/zinc/46/13/90/536461390.db2.gz OGNWCKMGKWWCPW-ZDUSSCGKSA-N 1 0 334.372 2.379 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000187033832 528244026 /nfs/dbraw/zinc/24/40/26/528244026.db2.gz ZUNZWNCUPNBOHH-ZDUSSCGKSA-N 1 0 348.359 2.101 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189803586 529343715 /nfs/dbraw/zinc/34/37/15/529343715.db2.gz GXLIGVVQBZNRFQ-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491687201 535935635 /nfs/dbraw/zinc/93/56/35/535935635.db2.gz UWLIZJBCNIPFHJ-NKPGBKMFSA-N 1 0 333.363 2.442 20 5 EEBDRO C[NH+](C)[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447818430 536132652 /nfs/dbraw/zinc/13/26/52/536132652.db2.gz XARCTOUNWPRRHH-SFHVURJKSA-N 1 0 348.447 2.179 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773473 536772302 /nfs/dbraw/zinc/77/23/02/536772302.db2.gz STTCOJXQODXLIN-GJZGRUSLSA-N 1 0 349.387 2.089 20 5 EEBDRO CC[C@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000727824939 576451633 /nfs/dbraw/zinc/45/16/33/576451633.db2.gz MCQPVHYNIMLFLZ-LBPRGKRZSA-N 1 0 332.360 2.195 20 5 EEBDRO CCCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773006985 577309984 /nfs/dbraw/zinc/30/99/84/577309984.db2.gz DKWFBRFSMCVFEN-ZDUSSCGKSA-N 1 0 343.449 2.432 20 5 EEBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291175 577393835 /nfs/dbraw/zinc/39/38/35/577393835.db2.gz CXGXFXJFNDESSP-OUAUKWLOSA-N 1 0 336.314 2.442 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000776280129 577456652 /nfs/dbraw/zinc/45/66/52/577456652.db2.gz ZWTIBFOJSHFBIG-MRXNPFEDSA-N 1 0 346.383 2.478 20 5 EEBDRO CN(CC(F)F)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591882 577463699 /nfs/dbraw/zinc/46/36/99/577463699.db2.gz QSMDULHUZUZKKP-OAHLLOKOSA-N 1 0 343.374 2.290 20 5 EEBDRO COC(=O)CC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000764909719 577490626 /nfs/dbraw/zinc/49/06/26/577490626.db2.gz OYFSJBFSXIZMAK-UHFFFAOYSA-N 1 0 346.387 2.486 20 5 EEBDRO CC1(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000756082160 577837921 /nfs/dbraw/zinc/83/79/21/577837921.db2.gz PCINJNLFCWPMAV-UHFFFAOYSA-N 1 0 336.388 2.449 20 5 EEBDRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749662488 577979502 /nfs/dbraw/zinc/97/95/02/577979502.db2.gz MAXYUSQWDCJZRC-QGZVFWFLSA-N 1 0 343.383 2.120 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695097 577980147 /nfs/dbraw/zinc/98/01/47/577980147.db2.gz ZYCGVDAIPSNOBR-GOSISDBHSA-N 1 0 329.400 2.350 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1ccco1 ZINC000825848265 607448909 /nfs/dbraw/zinc/44/89/09/607448909.db2.gz BDBLSJGHXBKMBN-CYBMUJFWSA-N 1 0 343.347 2.083 20 5 EEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000891587263 676707001 /nfs/dbraw/zinc/70/70/01/676707001.db2.gz SJDYSHNISJKTTL-MAUKXSAKSA-N 1 0 346.431 2.168 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000891805094 676839907 /nfs/dbraw/zinc/83/99/07/676839907.db2.gz DCLSNUQSHQANCC-UHFFFAOYSA-N 1 0 325.438 2.102 20 5 EEBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926300322 677740029 /nfs/dbraw/zinc/74/00/29/677740029.db2.gz BCWOIKMPWAHJEG-NSHDSACASA-N 1 0 331.294 2.228 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001022576813 677920867 /nfs/dbraw/zinc/92/08/67/677920867.db2.gz WYLHSFOHFVTCLT-RRACKEQVSA-N 1 0 329.400 2.378 20 5 EEBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022675332 678199619 /nfs/dbraw/zinc/19/96/19/678199619.db2.gz KLSHTSQQRHTQIB-GASCZTMLSA-N 1 0 343.383 2.476 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022874882 678696458 /nfs/dbraw/zinc/69/64/58/678696458.db2.gz UPFVEIFDZYZPFT-OKILXGFUSA-N 1 0 329.356 2.167 20 5 EEBDRO COc1c(O)ccc(CNC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000892534203 681606628 /nfs/dbraw/zinc/60/66/28/681606628.db2.gz CKWQKYCRUKCEHM-ZDUSSCGKSA-N 1 0 325.409 2.375 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000892687323 682592045 /nfs/dbraw/zinc/59/20/45/682592045.db2.gz JOFWGDPMMNKMJR-CYBMUJFWSA-N 1 0 330.340 2.402 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892731494 682954231 /nfs/dbraw/zinc/95/42/31/682954231.db2.gz MQARWCMBRMRWNU-ZDUSSCGKSA-N 1 0 344.415 2.225 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC000983736307 683217623 /nfs/dbraw/zinc/21/76/23/683217623.db2.gz JZQSLWOLEQSVOA-NNUKFRKNSA-N 1 0 328.372 2.221 20 5 EEBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000895059076 683594103 /nfs/dbraw/zinc/59/41/03/683594103.db2.gz RCMSKOHZSAOSGC-SECBINFHSA-N 1 0 329.198 2.331 20 5 EEBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895245224 684369126 /nfs/dbraw/zinc/36/91/26/684369126.db2.gz DLUPLHHXCJQCLT-JOYOIKCWSA-N 1 0 347.341 2.055 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000895279547 684432915 /nfs/dbraw/zinc/43/29/15/684432915.db2.gz VUZMLDKPYZVIPA-CQSZACIVSA-N 1 0 340.383 2.270 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895887622 684763006 /nfs/dbraw/zinc/76/30/06/684763006.db2.gz FFHHQDRFMQCFJR-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO CN(C)c1cc[nH+]c(CNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000896297327 684930913 /nfs/dbraw/zinc/93/09/13/684930913.db2.gz ACCCFJDHSSTXAE-UHFFFAOYSA-N 1 0 327.344 2.487 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000897238237 686304858 /nfs/dbraw/zinc/30/48/58/686304858.db2.gz WJDFSVDFKOVWAW-UONOGXRCSA-N 1 0 337.445 2.329 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cocn2)CC1 ZINC000985326628 686326551 /nfs/dbraw/zinc/32/65/51/686326551.db2.gz OOARWHSIKONSCV-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO COCCOCCN(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000313267827 686851952 /nfs/dbraw/zinc/85/19/52/686851952.db2.gz AGKHOZICXACHCC-UHFFFAOYSA-N 1 0 347.209 2.452 20 5 EEBDRO O=[N+]([O-])CC[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000905185868 694554430 /nfs/dbraw/zinc/55/44/30/694554430.db2.gz FQDDVAHHJULCCB-UHFFFAOYSA-N 1 0 327.690 2.389 20 5 EEBDRO Cc1ccc(N(C)CCN(C)C(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001105538899 1188160136 /nfs/dbraw/zinc/16/01/36/1188160136.db2.gz MORLMBVYDIMFKZ-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC000865496927 1198247322 /nfs/dbraw/zinc/24/73/22/1198247322.db2.gz VOQZNCWLBLOUTI-UHFFFAOYSA-N 1 0 330.266 2.322 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H](O)C1CCCC1)OCCO2 ZINC000865874293 1198410271 /nfs/dbraw/zinc/41/02/71/1198410271.db2.gz AZSLRXNHDSVFBD-OAHLLOKOSA-N 1 0 336.388 2.397 20 5 EEBDRO C[N@H+](CC1CCOCC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000124626496 1198676905 /nfs/dbraw/zinc/67/69/05/1198676905.db2.gz BJGYMMYQLHEJMA-UHFFFAOYSA-N 1 0 348.403 2.153 20 5 EEBDRO [NH3+][C@H]1C[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000877243014 1199886932 /nfs/dbraw/zinc/88/69/32/1199886932.db2.gz KNGAAWXTPSUGFH-WAAGHKOSSA-N 1 0 329.809 2.194 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000877346110 1199909291 /nfs/dbraw/zinc/90/92/91/1199909291.db2.gz GMIWLUVJBFHRBG-HNNXBMFYSA-N 1 0 341.367 2.048 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878335548 1200404216 /nfs/dbraw/zinc/40/42/16/1200404216.db2.gz OKEZPDBTSRENJS-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO CC[C@H](CO)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000879742620 1201236090 /nfs/dbraw/zinc/23/60/90/1201236090.db2.gz NUMCKXDNUHPRDB-MRXNPFEDSA-N 1 0 332.404 2.373 20 5 EEBDRO O=[N+]([O-])c1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000866679276 1201578136 /nfs/dbraw/zinc/57/81/36/1201578136.db2.gz MDJJMEYUDXUMCR-PHIMTYICSA-N 1 0 326.194 2.294 20 5 EEBDRO COc1cc(OCC(=O)OCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000800152312 1202213742 /nfs/dbraw/zinc/21/37/42/1202213742.db2.gz ULKRBHQXDQTDRJ-UHFFFAOYSA-N 1 0 338.360 2.011 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000931722177 1207448819 /nfs/dbraw/zinc/44/88/19/1207448819.db2.gz FKEFZQYOZMWCCK-KFWWJZLASA-N 1 0 346.431 2.399 20 5 EEBDRO C[C@@H]1CN(CCN(C)Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195304540 1211375175 /nfs/dbraw/zinc/37/51/75/1211375175.db2.gz JAHZPLKNVSUDTA-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO CCOC1CC2(C1)CC[N@H+](Cn1nc(C)c3cc([N+](=O)[O-])cnc31)C2 ZINC000795720364 1215014712 /nfs/dbraw/zinc/01/47/12/1215014712.db2.gz MQFACPRLYHUBKM-UHFFFAOYSA-N 1 0 345.403 2.496 20 5 EEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)COC)CC1 ZINC000957654332 1215304227 /nfs/dbraw/zinc/30/42/27/1215304227.db2.gz TVHUSWZXWOGEMA-UHFFFAOYSA-N 1 0 349.431 2.302 20 5 EEBDRO C[NH+](C)C1(C(=O)N[C@H]2C[C@H](CNc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001114797166 1215332547 /nfs/dbraw/zinc/33/25/47/1215332547.db2.gz XEMUWIRVFSHHSI-CTYIDZIISA-N 1 0 346.431 2.386 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1F)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963786380 1218038660 /nfs/dbraw/zinc/03/86/60/1218038660.db2.gz CMOMQEPJTBSBHL-KLQVMUDPSA-N 1 0 347.390 2.008 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096043291 1233956133 /nfs/dbraw/zinc/95/61/33/1233956133.db2.gz BKOFMXDFQCUSHM-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC(C)=CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048654012 1238200602 /nfs/dbraw/zinc/20/06/02/1238200602.db2.gz WBMIHVCXOPPRKY-IYBDPMFKSA-N 1 0 329.400 2.451 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903128518 1239806246 /nfs/dbraw/zinc/80/62/46/1239806246.db2.gz ALMLKRZMAFJGKW-XJFOESAGSA-N 1 0 336.392 2.206 20 5 EEBDRO O=C(NCC1=CC[N@H+](Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672958 1240705619 /nfs/dbraw/zinc/70/56/19/1240705619.db2.gz CHBRYUZDHBVCIE-HZPDHXFCSA-N 1 0 349.818 2.254 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1occc1C[NH+](C)C ZINC001101917426 1246248693 /nfs/dbraw/zinc/24/86/93/1246248693.db2.gz KVFUEXAWGJYPLY-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001057874470 1248037390 /nfs/dbraw/zinc/03/73/90/1248037390.db2.gz MBJCCJGFDHJDJH-UHFFFAOYSA-N 1 0 346.431 2.084 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857765004 1293910531 /nfs/dbraw/zinc/91/05/31/1293910531.db2.gz HYBUTHRTVIPPSF-UHFFFAOYSA-N 1 0 343.330 2.024 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c(F)c1 ZINC001215694683 1296973050 /nfs/dbraw/zinc/97/30/50/1296973050.db2.gz YNSDHRQKYVPDMX-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO O=c1c2cc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c(O)cc2oc2cccc(O)c12 ZINC001218443329 1297666252 /nfs/dbraw/zinc/66/62/52/1297666252.db2.gz ZWRPCKMOTWSDNP-YRBGZSCZSA-N 1 0 339.347 2.487 20 5 EEBDRO O=C(CCc1c2ccccc2cc2ccccc21)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714391 1298128378 /nfs/dbraw/zinc/12/83/78/1298128378.db2.gz KHWGHDJCRIPDOT-WOJBJXKFSA-N 1 0 334.419 2.375 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(Cl)(Cl)c1ccccc1F ZINC001223768406 1300256716 /nfs/dbraw/zinc/25/67/16/1300256716.db2.gz KTYSPOREIINCQQ-SNVBAGLBSA-N 1 0 339.214 2.414 20 5 EEBDRO CCC(=O)[C@H]1C[C@@H](OCCC[N+](C)(C)C)CN1C(=O)OC(C)(C)C ZINC001224623494 1300672991 /nfs/dbraw/zinc/67/29/91/1300672991.db2.gz ODBJDYGCRHIDOH-HUUCEWRRSA-N 1 0 343.488 2.456 20 5 EEBDRO CCOC(=O)c1cnc(O[C@@H](C)C[N+](C)(C)C)nc1C(F)(F)F ZINC001225858298 1301176425 /nfs/dbraw/zinc/17/64/25/1301176425.db2.gz QVOZJMIXNREKEJ-VIFPVBQESA-N 1 0 336.334 2.146 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C(=O)c2ccccc2)c1 ZINC001225997913 1301227948 /nfs/dbraw/zinc/22/79/48/1301227948.db2.gz AEBMVABFJOVDDT-QGZVFWFLSA-N 1 0 342.415 2.280 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143167 1302123704 /nfs/dbraw/zinc/12/37/04/1302123704.db2.gz JXHNYRVZFQHYOG-JSGCOSHPSA-N 1 0 344.371 2.380 20 5 EEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)CC1 ZINC001228241443 1302170931 /nfs/dbraw/zinc/17/09/31/1302170931.db2.gz BLGOHYPTQDPMGU-UMSPYCQHSA-N 1 0 332.360 2.495 20 5 EEBDRO C[NH+](C)C1CCC(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001228661719 1302365758 /nfs/dbraw/zinc/36/57/58/1302365758.db2.gz NRIKNJRAKOTZJB-UHFFFAOYSA-N 1 0 342.417 2.250 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(c(Br)c1)C=NC2=O ZINC001229039560 1302586487 /nfs/dbraw/zinc/58/64/87/1302586487.db2.gz DSPRYPREYLKOKD-SECBINFHSA-N 1 0 326.214 2.495 20 5 EEBDRO COC(=O)c1c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001229050056 1302590981 /nfs/dbraw/zinc/59/09/81/1302590981.db2.gz SIEPQBLOLYTFBU-DRXBFXEBSA-N 1 0 334.372 2.491 20 5 EEBDRO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001119381460 1309060238 /nfs/dbraw/zinc/06/02/38/1309060238.db2.gz UFKRHWGSLIKETD-JTQLQIEISA-N 1 0 329.759 2.140 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2[C@H](C)C[NH2+]C[C@H]2C)c1F ZINC001246884663 1310459019 /nfs/dbraw/zinc/45/90/19/1310459019.db2.gz SWOOLLSKQXITBJ-IJLUTSLNSA-N 1 0 325.384 2.356 20 5 EEBDRO CCOC(=O)CN(CCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246919806 1310468270 /nfs/dbraw/zinc/46/82/70/1310468270.db2.gz LFZBHBOTGGCVDW-INIZCTEOSA-N 1 0 349.431 2.056 20 5 EEBDRO COc1cc(N2CCC(N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001246966402 1310482400 /nfs/dbraw/zinc/48/24/00/1310482400.db2.gz UJDIMHXAIVIUGV-KBPBESRZSA-N 1 0 348.447 2.254 20 5 EEBDRO Cc1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001248214924 1310864758 /nfs/dbraw/zinc/86/47/58/1310864758.db2.gz XBMPTTDUGVEITA-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284657 1315149235 /nfs/dbraw/zinc/14/92/35/1315149235.db2.gz LLHMKRYWGUSMBK-JKSUJKDBSA-N 1 0 336.388 2.434 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C[C@@H]21 ZINC000840132568 1315303907 /nfs/dbraw/zinc/30/39/07/1315303907.db2.gz MYHQSQCMHAFCFP-MFKMUULPSA-N 1 0 334.401 2.465 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854846 1315624552 /nfs/dbraw/zinc/62/45/52/1315624552.db2.gz FKEDLHWDTJDXHB-CQSZACIVSA-N 1 0 326.784 2.129 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)Cc1ccccc1 ZINC000843101816 1315841688 /nfs/dbraw/zinc/84/16/88/1315841688.db2.gz OUBPGSWGJWBHDI-DOPJRALCSA-N 1 0 330.384 2.210 20 5 EEBDRO COc1cc(Cc2noc(CC[C@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191592 1315863456 /nfs/dbraw/zinc/86/34/56/1315863456.db2.gz KDEUCQJKUVQEKT-NSHDSACASA-N 1 0 332.360 2.119 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843353552 1315898327 /nfs/dbraw/zinc/89/83/27/1315898327.db2.gz LDPVTESQKQKBBN-MNOVXSKESA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843354465 1315898864 /nfs/dbraw/zinc/89/88/64/1315898864.db2.gz IGDLGNLCSUXYIT-GFCCVEGCSA-N 1 0 342.827 2.492 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251758763 1317499661 /nfs/dbraw/zinc/49/96/61/1317499661.db2.gz ZFIRTEIREPEPKU-KGLIPLIRSA-N 1 0 335.404 2.135 20 5 EEBDRO Cc1ccncc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156093898 1317872997 /nfs/dbraw/zinc/87/29/97/1317872997.db2.gz OVNCMAPZMGZSNY-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156206393 1317921526 /nfs/dbraw/zinc/92/15/26/1317921526.db2.gz HDWDCYJDAHLVTF-UHFFFAOYSA-N 1 0 341.346 2.482 20 5 EEBDRO Cc1cccnc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156349453 1317973915 /nfs/dbraw/zinc/97/39/15/1317973915.db2.gz MAFUWUOFSLKYAO-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO Cc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254464480 1318079405 /nfs/dbraw/zinc/07/94/05/1318079405.db2.gz DCFMLQYHMYTVHA-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254468293 1318081202 /nfs/dbraw/zinc/08/12/02/1318081202.db2.gz KHYZMZKMJWBPCV-DZGCQCFKSA-N 1 0 347.415 2.495 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](F)C[C@@H](CO)C3)CC2)cc1 ZINC001254475238 1318083249 /nfs/dbraw/zinc/08/32/49/1318083249.db2.gz CUCHJLREJMCFKQ-ZIAGYGMSSA-N 1 0 337.395 2.216 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001254530796 1318109657 /nfs/dbraw/zinc/10/96/57/1318109657.db2.gz BDVKHUVSJCCYQA-UKRRQHHQSA-N 1 0 327.388 2.184 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001254532322 1318111743 /nfs/dbraw/zinc/11/17/43/1318111743.db2.gz MUEBNFWDRJMTHN-GFCCVEGCSA-N 1 0 349.412 2.114 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1-n1cnnn1 ZINC001254538993 1318115215 /nfs/dbraw/zinc/11/52/15/1318115215.db2.gz AFMXHNHADQEUHG-ZDUSSCGKSA-N 1 0 338.371 2.291 20 5 EEBDRO CCNC(=O)CO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560126 1318119882 /nfs/dbraw/zinc/11/98/82/1318119882.db2.gz PJDLTKWJUZTLIY-HOCLYGCPSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001254565386 1318122863 /nfs/dbraw/zinc/12/28/63/1318122863.db2.gz OUJIBJZQHICYRN-CYBMUJFWSA-N 1 0 333.388 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3cnccn3)C1)C2 ZINC001254612465 1318145115 /nfs/dbraw/zinc/14/51/15/1318145115.db2.gz WPAXIFPNGVVCJX-HOTGVXAUSA-N 1 0 326.356 2.005 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCn3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC001256082227 1318641147 /nfs/dbraw/zinc/64/11/47/1318641147.db2.gz BXAMLBFUBLTBCB-UHFFFAOYSA-N 1 0 345.403 2.059 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256084449 1318642395 /nfs/dbraw/zinc/64/23/95/1318642395.db2.gz DBJJSSIWBTVUCY-CQSZACIVSA-N 1 0 335.404 2.341 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(N(c2cnccn2)C2CC[NH2+]CC2)n1 ZINC001157537793 1318701680 /nfs/dbraw/zinc/70/16/80/1318701680.db2.gz PESQMTDRTORYNJ-UHFFFAOYSA-N 1 0 334.767 2.323 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nn2)ccc1Cl ZINC001157624301 1318754261 /nfs/dbraw/zinc/75/42/61/1318754261.db2.gz WRDDRDZQGFTNCI-GXFFZTMASA-N 1 0 331.763 2.113 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC001158310310 1319165887 /nfs/dbraw/zinc/16/58/87/1319165887.db2.gz ZCMADUJVMLQDPJ-GFCCVEGCSA-N 1 0 340.811 2.253 20 5 EEBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258144905 1319189601 /nfs/dbraw/zinc/18/96/01/1319189601.db2.gz FOZRRVFQUSFCHV-TXEJJXNPSA-N 1 0 332.360 2.297 20 5 EEBDRO COc1nc(N(C2CCCC2)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001158485412 1319264029 /nfs/dbraw/zinc/26/40/29/1319264029.db2.gz KCAOBXGKFHGVBG-UHFFFAOYSA-N 1 0 335.408 2.237 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001159241194 1319701634 /nfs/dbraw/zinc/70/16/34/1319701634.db2.gz YJVAAMOLFODFHL-GYSYKLTISA-N 1 0 344.799 2.088 20 5 EEBDRO COc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC001159590117 1319903996 /nfs/dbraw/zinc/90/39/96/1319903996.db2.gz JRTHTHVRUUZGAE-JTQLQIEISA-N 1 0 340.343 2.266 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160664749 1320226257 /nfs/dbraw/zinc/22/62/57/1320226257.db2.gz HAVOTNYXCVJNDM-ZDUSSCGKSA-N 1 0 330.388 2.138 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2cc(Cl)ncc2[N+](=O)[O-])C2COC2)CC1 ZINC001161274857 1320441862 /nfs/dbraw/zinc/44/18/62/1320441862.db2.gz HVLZROIYHPQNAO-MGCOHNPYSA-N 1 0 326.784 2.118 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ncnc3cc([N+](=O)[O-])ccc32)C2COC2)CC1 ZINC001161277269 1320442457 /nfs/dbraw/zinc/44/24/57/1320442457.db2.gz TXLJMLHILWKLBD-HAQNSBGRSA-N 1 0 343.387 2.013 20 5 EEBDRO COCCC1([NH3+])CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001162045776 1320731518 /nfs/dbraw/zinc/73/15/18/1320731518.db2.gz MLOBYQJDXZQSNJ-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO COc1cccc([C@H](C[NH3+])Nc2nc(Cl)nc(C)c2[N+](=O)[O-])c1 ZINC001163304260 1321091923 /nfs/dbraw/zinc/09/19/23/1321091923.db2.gz YPUOZUNAQFCPSL-NSHDSACASA-N 1 0 337.767 2.467 20 5 EEBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001163362402 1321105916 /nfs/dbraw/zinc/10/59/16/1321105916.db2.gz NDOFXTCUSYPTIP-YPMHNXCESA-N 1 0 336.392 2.307 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165325433 1321500990 /nfs/dbraw/zinc/50/09/90/1321500990.db2.gz ZTORGYZNFGPXPI-ZDUSSCGKSA-N 1 0 340.811 2.240 20 5 EEBDRO COc1nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165350389 1321506484 /nfs/dbraw/zinc/50/64/84/1321506484.db2.gz WRWHRFQYGBDMAI-UONOGXRCSA-N 1 0 326.356 2.074 20 5 EEBDRO COc1nc(C)nc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001165427624 1321524057 /nfs/dbraw/zinc/52/40/57/1321524057.db2.gz SDFOCVZAAWWFRF-UHFFFAOYSA-N 1 0 343.387 2.246 20 5 EEBDRO CCc1ncoc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001166282297 1321691861 /nfs/dbraw/zinc/69/18/61/1321691861.db2.gz AZNKGFPRNBXQCP-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO [NH3+]C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000358762426 1323512853 /nfs/dbraw/zinc/51/28/53/1323512853.db2.gz MDYXWMOIINGDRB-MRXNPFEDSA-N 1 0 346.362 2.005 20 5 EEBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1F ZINC001308742075 1331603518 /nfs/dbraw/zinc/60/35/18/1331603518.db2.gz YYTLMPKFISRISX-UHFFFAOYSA-N 1 0 347.346 2.486 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001318540546 1332557614 /nfs/dbraw/zinc/55/76/14/1332557614.db2.gz KNVYAWXVTYFWAC-UKRRQHHQSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC001320863726 1332967930 /nfs/dbraw/zinc/96/79/30/1332967930.db2.gz PYHKMCBWLFOQQR-KGLIPLIRSA-N 1 0 346.391 2.177 20 5 EEBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC001320863724 1332968188 /nfs/dbraw/zinc/96/81/88/1332968188.db2.gz PYHKMCBWLFOQQR-KBPBESRZSA-N 1 0 346.391 2.177 20 5 EEBDRO CS[C@H]1CC[C@@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC001323267904 1333426779 /nfs/dbraw/zinc/42/67/79/1333426779.db2.gz CRQWICDLOGEOMM-PWSUYJOCSA-N 1 0 349.412 2.364 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCC(CO)CC1)CCC2 ZINC001324760893 1333754284 /nfs/dbraw/zinc/75/42/84/1333754284.db2.gz NFSJSRWEFWBXCR-GOSISDBHSA-N 1 0 333.432 2.266 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001326031958 1334017221 /nfs/dbraw/zinc/01/72/21/1334017221.db2.gz WQXAKDDWQXZNEL-OLZOCXBDSA-N 1 0 332.404 2.098 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001326031960 1334017984 /nfs/dbraw/zinc/01/79/84/1334017984.db2.gz WQXAKDDWQXZNEL-STQMWFEESA-N 1 0 332.404 2.098 20 5 EEBDRO CCCC[NH+]1CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001609210341 1351894196 /nfs/dbraw/zinc/89/41/96/1351894196.db2.gz MYJWYEQDBCZSQD-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[NH2+]CC2 ZINC001327058841 1334212918 /nfs/dbraw/zinc/21/29/18/1334212918.db2.gz CLMSWQPHRDOZNU-UHFFFAOYSA-N 1 0 340.383 2.082 20 5 EEBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001330985227 1334940726 /nfs/dbraw/zinc/94/07/26/1334940726.db2.gz QJXBKVPBQIFSSV-GFCCVEGCSA-N 1 0 341.795 2.228 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCSC1 ZINC001332419393 1335820765 /nfs/dbraw/zinc/82/07/65/1335820765.db2.gz BCFNIQRIIJTWIH-CQSZACIVSA-N 1 0 342.396 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCC[NH+]1CCCCCC1 ZINC001609601659 1352030447 /nfs/dbraw/zinc/03/04/47/1352030447.db2.gz SYSKEWANGLJJAY-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC001609601799 1352031921 /nfs/dbraw/zinc/03/19/21/1352031921.db2.gz ATEMWBVSLIYTKQ-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC001335396497 1336370748 /nfs/dbraw/zinc/37/07/48/1336370748.db2.gz HNDGVJBPLGRCML-MSOLQXFVSA-N 1 0 328.368 2.052 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001337030891 1336633483 /nfs/dbraw/zinc/63/34/83/1336633483.db2.gz XCHUVFYYBZLRBM-NFAWXSAZSA-N 1 0 332.404 2.092 20 5 EEBDRO CC(C)(C)[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC001337565281 1336714578 /nfs/dbraw/zinc/71/45/78/1336714578.db2.gz UXMFCVYPOYSEPF-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cscn3)c2)CC1 ZINC001339066830 1336952955 /nfs/dbraw/zinc/95/29/55/1336952955.db2.gz YYRKIMPVKHYVBN-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([NH2+]C3CCOCC3)CC1)CCN2 ZINC001340110973 1337123745 /nfs/dbraw/zinc/12/37/45/1337123745.db2.gz AAOPTFDGLGBLML-UHFFFAOYSA-N 1 0 346.431 2.300 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC001340163625 1337131126 /nfs/dbraw/zinc/13/11/26/1337131126.db2.gz KAWPOWSDWJWXEA-NSHDSACASA-N 1 0 335.738 2.280 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000847882880 1338357763 /nfs/dbraw/zinc/35/77/63/1338357763.db2.gz AVZHOZJFIVBFCU-UHFFFAOYSA-N 1 0 336.388 2.181 20 5 EEBDRO COc1ccccc1CNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849088654 1338836107 /nfs/dbraw/zinc/83/61/07/1338836107.db2.gz RTIZYBAVPZAEHL-UHFFFAOYSA-N 1 0 328.372 2.460 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001576487769 1344022331 /nfs/dbraw/zinc/02/23/31/1344022331.db2.gz XQPIAMGBXRCDOL-LLVKDONJSA-N 1 0 329.303 2.067 20 5 EEBDRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001580333063 1344511376 /nfs/dbraw/zinc/51/13/76/1344511376.db2.gz PSPWRKKJZSPDOE-ZKCHVHJHSA-N 1 0 330.291 2.055 20 5 EEBDRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001580352556 1344512494 /nfs/dbraw/zinc/51/24/94/1344512494.db2.gz SDUHLCCMDGDVJT-UHFFFAOYSA-N 1 0 333.373 2.100 20 5 EEBDRO CC(C)C[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589629528 1349012988 /nfs/dbraw/zinc/01/29/88/1349012988.db2.gz DSNSMNTWLHEIDM-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589714506 1349023612 /nfs/dbraw/zinc/02/36/12/1349023612.db2.gz JNRQNAZLTLSGQS-UHFFFAOYSA-N 1 0 349.370 2.199 20 5 EEBDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001590464760 1349339422 /nfs/dbraw/zinc/33/94/22/1349339422.db2.gz FTAFVTCMPNLJQU-CQSZACIVSA-N 1 0 346.391 2.070 20 5 EEBDRO CC[NH+](CC)CCCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590687627 1349389310 /nfs/dbraw/zinc/38/93/10/1349389310.db2.gz MYFWVKHMNNHBNZ-UHFFFAOYSA-N 1 0 333.396 2.309 20 5 EEBDRO CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886854541 1369686114 /nfs/dbraw/zinc/68/61/14/1369686114.db2.gz SDHJPIHLIYHSIR-NSHDSACASA-N 1 0 345.346 2.389 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116039754 1371718549 /nfs/dbraw/zinc/71/85/49/1371718549.db2.gz UGDOWWVBPLSICX-JSGCOSHPSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000829020290 1372261968 /nfs/dbraw/zinc/26/19/68/1372261968.db2.gz ZVYJRSNCWMBZJY-TXEJJXNPSA-N 1 0 327.812 2.448 20 5 EEBDRO CC(C)Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001575654336 1403555156 /nfs/dbraw/zinc/55/51/56/1403555156.db2.gz MQRHOSJVWYRVTQ-UHFFFAOYSA-N 1 0 346.435 2.022 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592135236 1404003284 /nfs/dbraw/zinc/00/32/84/1404003284.db2.gz GMTMTPPQLRGXHQ-NSHDSACASA-N 1 0 339.359 2.329 20 5 EEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001164814878 720072955 /nfs/dbraw/zinc/07/29/55/720072955.db2.gz XSOOBBKEGVYATF-MAUKXSAKSA-N 1 0 346.431 2.175 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165036344 721886692 /nfs/dbraw/zinc/88/66/92/721886692.db2.gz SQPBINYFSNKVSP-MRVPVSSYSA-N 1 0 331.829 2.291 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167069205 757125725 /nfs/dbraw/zinc/12/57/25/757125725.db2.gz CALXYJNHIAVUTN-UHFFFAOYSA-N 1 0 325.372 2.345 20 5 EEBDRO Cc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001167088501 757242132 /nfs/dbraw/zinc/24/21/32/757242132.db2.gz GHAQMYOPUFLHCW-UHFFFAOYSA-N 1 0 327.319 2.422 20 5 EEBDRO CC(C)N(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001125528087 759814830 /nfs/dbraw/zinc/81/48/30/759814830.db2.gz SQKFZNGRZUZESF-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO CN(CCOCC1CC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154783066 769309336 /nfs/dbraw/zinc/30/93/36/769309336.db2.gz OJYKJRAQHMGMNC-UHFFFAOYSA-N 1 0 348.403 2.153 20 5 EEBDRO O=C(C1CC1)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981571924 777662494 /nfs/dbraw/zinc/66/24/94/777662494.db2.gz IODVUOSCVHRDLD-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001091393698 790590159 /nfs/dbraw/zinc/59/01/59/790590159.db2.gz YKWJQAXAMVVHCB-OKILXGFUSA-N 1 0 346.431 2.243 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893668846 778599343 /nfs/dbraw/zinc/59/93/43/778599343.db2.gz RIHUHNJSSOXJBV-UHFFFAOYSA-N 1 0 344.415 2.369 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091490299 791001303 /nfs/dbraw/zinc/00/13/03/791001303.db2.gz PSQQAQUHJAYIOQ-JOCQHMNTSA-N 1 0 349.435 2.027 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000817020659 784443255 /nfs/dbraw/zinc/44/32/55/784443255.db2.gz DBQPFAMQGPMVKK-CYBMUJFWSA-N 1 0 346.431 2.432 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818563898 785294234 /nfs/dbraw/zinc/29/42/34/785294234.db2.gz VRZHQCKBHTWPHP-IUCAKERBSA-N 1 0 329.759 2.126 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979946 785347753 /nfs/dbraw/zinc/34/77/53/785347753.db2.gz XSXQVUOFLKGXOD-WMLDXEAASA-N 1 0 341.367 2.023 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979948 785348340 /nfs/dbraw/zinc/34/83/40/785348340.db2.gz XSXQVUOFLKGXOD-YOEHRIQHSA-N 1 0 341.367 2.023 20 5 EEBDRO C[C@H](COc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818970560 785365237 /nfs/dbraw/zinc/36/52/37/785365237.db2.gz WJVGLHPJURHMQZ-HUUCEWRRSA-N 1 0 346.383 2.392 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818972315 785367547 /nfs/dbraw/zinc/36/75/47/785367547.db2.gz JFPVEOAUSCHYNL-RISCZKNCSA-N 1 0 347.337 2.102 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)c1 ZINC000819042777 785371988 /nfs/dbraw/zinc/37/19/88/785371988.db2.gz NWAMZNIVRVVGGE-MZNJEOGPSA-N 1 0 348.424 2.167 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000819134423 785418539 /nfs/dbraw/zinc/41/85/39/785418539.db2.gz HAHDVLGBVUHDQY-GOSISDBHSA-N 1 0 347.390 2.489 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000819177171 785450134 /nfs/dbraw/zinc/45/01/34/785450134.db2.gz RNAWSXLOPXWMJL-BMFZPTHFSA-N 1 0 338.429 2.273 20 5 EEBDRO COC(=O)c1cccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819200075 785458817 /nfs/dbraw/zinc/45/88/17/785458817.db2.gz IZVGNYQNLWNFSE-KRWDZBQOSA-N 1 0 344.367 2.247 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000819265792 785500357 /nfs/dbraw/zinc/50/03/57/785500357.db2.gz IYIUCQUTTSMLED-QAPCUYQASA-N 1 0 328.368 2.481 20 5 EEBDRO O=C(CCc1ncc[nH]1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107173459 786218086 /nfs/dbraw/zinc/21/80/86/786218086.db2.gz LFJOAAHBMNPQJA-OWOJBTEDSA-N 1 0 329.360 2.035 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000910291110 786651156 /nfs/dbraw/zinc/65/11/56/786651156.db2.gz DEATXMPTICTHLH-LLVKDONJSA-N 1 0 331.376 2.027 20 5 EEBDRO CC1CC[NH+](CC(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107300821 786765196 /nfs/dbraw/zinc/76/51/96/786765196.db2.gz YDYGACRMKJNPGP-PLNGDYQASA-N 1 0 346.431 2.411 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824701789 788280578 /nfs/dbraw/zinc/28/05/78/788280578.db2.gz BOMSGQLOPNCPQT-SJORKVTESA-N 1 0 347.415 2.495 20 5 EEBDRO O=C(c1nccs1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997111581 788861929 /nfs/dbraw/zinc/86/19/29/788861929.db2.gz OKBIXFYVEOHVPA-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CC(C)c1nocc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001129279676 788948425 /nfs/dbraw/zinc/94/84/25/788948425.db2.gz WQBWIYUKSIVSGT-UHFFFAOYSA-N 1 0 338.389 2.287 20 5 EEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000913539452 788977332 /nfs/dbraw/zinc/97/73/32/788977332.db2.gz VXBFQZZJRPXNNA-IYBDPMFKSA-N 1 0 332.404 2.092 20 5 EEBDRO CNc1cc([N+](=O)[O-])cnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171281673 791403188 /nfs/dbraw/zinc/40/31/88/791403188.db2.gz MSAMJDOSRGDHIT-UHFFFAOYSA-N 1 0 342.403 2.053 20 5 EEBDRO Cc1ccc(F)c(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001148529858 792506799 /nfs/dbraw/zinc/50/67/99/792506799.db2.gz YIFQCMPPBSKUIK-UHFFFAOYSA-N 1 0 345.374 2.491 20 5 EEBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001106776758 796507856 /nfs/dbraw/zinc/50/78/56/796507856.db2.gz AONNPFQIOTUNIV-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001106803850 796641664 /nfs/dbraw/zinc/64/16/64/796641664.db2.gz RQKZMXVMQXZBRR-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1cccc(F)c1[N+](=O)[O-] ZINC001106809159 796667014 /nfs/dbraw/zinc/66/70/14/796667014.db2.gz COAULOXJHCNWLZ-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899824 797128937 /nfs/dbraw/zinc/12/89/37/797128937.db2.gz CXHJDZQRVSZBNP-RDJZCZTQSA-N 1 0 349.431 2.102 20 5 EEBDRO CC(=O)NC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908407 797134046 /nfs/dbraw/zinc/13/40/46/797134046.db2.gz MHIHXIKVNHUWFS-KRWDZBQOSA-N 1 0 331.416 2.443 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCN(C)CC2)c1F ZINC001173175932 797277046 /nfs/dbraw/zinc/27/70/46/797277046.db2.gz VNYQCGAPKLTSDZ-NSHDSACASA-N 1 0 325.384 2.357 20 5 EEBDRO COC(=O)c1cccnc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219641 797300596 /nfs/dbraw/zinc/30/05/96/797300596.db2.gz OQOUKYXZSHUQDL-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C(=O)NCc2ccccc21 ZINC001173231532 797301270 /nfs/dbraw/zinc/30/12/70/797301270.db2.gz ANGFRANVJYEYKK-SJKOYZFVSA-N 1 0 325.368 2.487 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001173228873 797311601 /nfs/dbraw/zinc/31/16/01/797311601.db2.gz LBZYSQGUXMFQET-MLGOLLRUSA-N 1 0 349.431 2.127 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001173212270 797314843 /nfs/dbraw/zinc/31/48/43/797314843.db2.gz YSIUDYLGDLWBFT-WBMJQRKESA-N 1 0 330.388 2.163 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1=CCOCC1 ZINC001002660360 798398322 /nfs/dbraw/zinc/39/83/22/798398322.db2.gz RDZTUOQCXDMZOQ-UHFFFAOYSA-N 1 0 345.399 2.022 20 5 EEBDRO CCc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002786547 798608042 /nfs/dbraw/zinc/60/80/42/798608042.db2.gz BJCJCPIGKXFZQK-QZTJIDSGSA-N 1 0 345.443 2.037 20 5 EEBDRO COc1cc(Cc2noc(CC[C@@H]3CCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000843191042 798680842 /nfs/dbraw/zinc/68/08/42/798680842.db2.gz ARRSWAFWBDTRHB-LBPRGKRZSA-N 1 0 332.360 2.262 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cc(F)c[nH]1 ZINC001003326580 799531072 /nfs/dbraw/zinc/53/10/72/799531072.db2.gz FROYIKOXKUVBRJ-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC001086042965 802003128 /nfs/dbraw/zinc/00/31/28/802003128.db2.gz GKDGLXPBOTWZRG-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1ncn(-c2cnc(Cl)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168785981 803344265 /nfs/dbraw/zinc/34/42/65/803344265.db2.gz HHZCVZHYZKHGCB-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO CCOC(=O)c1cc(N(CC[NH3+])c2cccnc2)ccc1[N+](=O)[O-] ZINC001168838190 803464274 /nfs/dbraw/zinc/46/42/74/803464274.db2.gz SZDJMJXMVCYNKI-UHFFFAOYSA-N 1 0 330.344 2.263 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3C(F)(F)F)cc2C1 ZINC001168818941 803468221 /nfs/dbraw/zinc/46/82/21/803468221.db2.gz BFLOCGMXTHBFOO-QMMMGPOBSA-N 1 0 327.266 2.010 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1OC ZINC001168998154 803564044 /nfs/dbraw/zinc/56/40/44/803564044.db2.gz IVQPFENTVQLFRA-LSDHHAIUSA-N 1 0 338.404 2.255 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001212 803566491 /nfs/dbraw/zinc/56/64/91/803566491.db2.gz DOMQYUPALAODLG-XJFOESAGSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)NC12CC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001169001276 803566541 /nfs/dbraw/zinc/56/65/41/803566541.db2.gz FEKGESZCTDQVGX-XQOMNBSISA-N 1 0 325.409 2.221 20 5 EEBDRO CC(C)(C)CC(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169041679 803584090 /nfs/dbraw/zinc/58/40/90/803584090.db2.gz BYUQUXAZDOIPEM-ZFWWWQNUSA-N 1 0 325.453 2.449 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)C1 ZINC001169020074 803587804 /nfs/dbraw/zinc/58/78/04/803587804.db2.gz IBJZXWWEFGYFAW-QXUSFIETSA-N 1 0 347.415 2.138 20 5 EEBDRO O=C(NCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)Nc1ccccc1 ZINC001169431935 803764112 /nfs/dbraw/zinc/76/41/12/803764112.db2.gz VVSJNTTVTIWGEQ-UHFFFAOYSA-N 1 0 341.371 2.432 20 5 EEBDRO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437687 807513342 /nfs/dbraw/zinc/51/33/42/807513342.db2.gz SNTNNONAXJABBA-VQNPYFGKSA-N 1 0 342.465 2.412 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000790558065 808796251 /nfs/dbraw/zinc/79/62/51/808796251.db2.gz FBKCNBQWPRORAO-CQSZACIVSA-N 1 0 343.786 2.386 20 5 EEBDRO COCCn1cncc1C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170306236 809867376 /nfs/dbraw/zinc/86/73/76/809867376.db2.gz SRSULXKNTXKRMY-ZDUSSCGKSA-N 1 0 348.403 2.167 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])O1 ZINC001170285330 809881616 /nfs/dbraw/zinc/88/16/16/809881616.db2.gz WSICDTKCMVIURU-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO COC(=O)C[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355330 809903091 /nfs/dbraw/zinc/90/30/91/809903091.db2.gz ZWYRDBMIXKUGKB-QWHCGFSZSA-N 1 0 336.388 2.419 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC000793928853 810594126 /nfs/dbraw/zinc/59/41/26/810594126.db2.gz KQFDQUMPTPMRAY-CABCVRRESA-N 1 0 347.415 2.082 20 5 EEBDRO C[C@@H](Nc1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001515990083 1118992614 /nfs/dbraw/zinc/99/26/14/1118992614.db2.gz RBKHNDCIRZFRRG-YMTOWFKASA-N 1 0 330.791 2.434 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522808246 1119508428 /nfs/dbraw/zinc/50/84/28/1119508428.db2.gz DBIHSKTULHJTTL-HNNXBMFYSA-N 1 0 343.383 2.164 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302811 529672738 /nfs/dbraw/zinc/67/27/38/529672738.db2.gz DUDOKAJXLRUGFQ-ZFWWWQNUSA-N 1 0 345.403 2.388 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178481400 232188599 /nfs/dbraw/zinc/18/85/99/232188599.db2.gz CXBDEQWSARVTRY-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CCO)o2)cc1 ZINC000072951505 216331084 /nfs/dbraw/zinc/33/10/84/216331084.db2.gz XONAWRCMIRZLTI-CYBMUJFWSA-N 1 0 332.360 2.382 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418768548 239322289 /nfs/dbraw/zinc/32/22/89/239322289.db2.gz OXCLSACISBKNRS-ZIAGYGMSSA-N 1 0 332.404 2.396 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000193288310 240090056 /nfs/dbraw/zinc/09/00/56/240090056.db2.gz VCSCFLFUVJCTSQ-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424460974 240952467 /nfs/dbraw/zinc/95/24/67/240952467.db2.gz KKPKCEWYLDPKSH-CHWSQXEVSA-N 1 0 340.811 2.360 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000426782303 241339941 /nfs/dbraw/zinc/33/99/41/241339941.db2.gz GDTRKSDPLGBJFW-INIZCTEOSA-N 1 0 346.431 2.448 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000229717852 242192164 /nfs/dbraw/zinc/19/21/64/242192164.db2.gz BNGJYDRTTUONDI-WMLDXEAASA-N 1 0 346.431 2.482 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000109807112 219995995 /nfs/dbraw/zinc/99/59/95/219995995.db2.gz DZOSMAZKVQZLLJ-AWEZNQCLSA-N 1 0 331.376 2.171 20 5 EEBDRO CSc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449658566 242589597 /nfs/dbraw/zinc/58/95/97/242589597.db2.gz TVWUTEOJICUUNZ-LLVKDONJSA-N 1 0 331.344 2.044 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C[NH3+])CC1 ZINC000237477089 242657298 /nfs/dbraw/zinc/65/72/98/242657298.db2.gz PEOIEOFETXTUFD-SNVBAGLBSA-N 1 0 341.795 2.213 20 5 EEBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451600812 243172802 /nfs/dbraw/zinc/17/28/02/243172802.db2.gz SWDQUYJYFHEAHV-CXAGYDPISA-N 1 0 337.420 2.412 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452059031 243341133 /nfs/dbraw/zinc/34/11/33/243341133.db2.gz JOESWNZWZNWAJV-AWEZNQCLSA-N 1 0 336.417 2.346 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456357368 244227331 /nfs/dbraw/zinc/22/73/31/244227331.db2.gz SJVOQDHKHIPKHZ-LLVKDONJSA-N 1 0 331.376 2.027 20 5 EEBDRO CN(CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079340101 217211050 /nfs/dbraw/zinc/21/10/50/217211050.db2.gz NFKOVFSTPWLXEJ-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO O=C(NCC[NH+]1CCCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000079963199 217268400 /nfs/dbraw/zinc/26/84/00/217268400.db2.gz KFNAVFRVIJUVRX-UHFFFAOYSA-N 1 0 331.376 2.077 20 5 EEBDRO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000080941289 217343535 /nfs/dbraw/zinc/34/35/35/217343535.db2.gz NKZGEVPNYTWCPD-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO CCc1cc(NC[C@](C)([NH3+])COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265055975 247166934 /nfs/dbraw/zinc/16/69/34/247166934.db2.gz RBEZIRGRHLPBIE-KRWDZBQOSA-N 1 0 345.403 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000265150995 247250968 /nfs/dbraw/zinc/25/09/68/247250968.db2.gz STFMGVXFKOZBBP-GOEBONIOSA-N 1 0 349.387 2.185 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000266444651 248304093 /nfs/dbraw/zinc/30/40/93/248304093.db2.gz NMPWYVLGNOPHBO-SFHVURJKSA-N 1 0 344.415 2.107 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000266444650 248304175 /nfs/dbraw/zinc/30/41/75/248304175.db2.gz NMPWYVLGNOPHBO-GOSISDBHSA-N 1 0 344.415 2.107 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC000266623575 248387820 /nfs/dbraw/zinc/38/78/20/248387820.db2.gz MHWNBDUSFZIXHU-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817433 218253021 /nfs/dbraw/zinc/25/30/21/218253021.db2.gz XTCLUBNPTCDQMB-LLCTXKFZSA-N 1 0 331.416 2.262 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266257402 284947838 /nfs/dbraw/zinc/94/78/38/284947838.db2.gz ODPUXRRUOZRHNO-AWEZNQCLSA-N 1 0 344.371 2.002 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220432 256039111 /nfs/dbraw/zinc/03/91/11/256039111.db2.gz CXUANUJURYIGPS-RYUDHWBXSA-N 1 0 341.433 2.283 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270356415 256127064 /nfs/dbraw/zinc/12/70/64/256127064.db2.gz DWUCZNFSRRGXTL-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000270611373 256153360 /nfs/dbraw/zinc/15/33/60/256153360.db2.gz ZFQOBKDHOFMYPQ-AWEZNQCLSA-N 1 0 331.347 2.385 20 5 EEBDRO Cn1cc(C[NH+]2CCC(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271053308 256203055 /nfs/dbraw/zinc/20/30/55/256203055.db2.gz XVOPNSHIKVUTIJ-UHFFFAOYSA-N 1 0 330.388 2.200 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)CCOC)cc1[N+](=O)[O-] ZINC000271175306 256216264 /nfs/dbraw/zinc/21/62/64/256216264.db2.gz UZCXPELLSYYDNI-ZDUSSCGKSA-N 1 0 325.409 2.222 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272825960 256242189 /nfs/dbraw/zinc/24/21/89/256242189.db2.gz MAZWBOGXTPUJHQ-RISCZKNCSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1=CC[N@H+](C)CC1 ZINC000273029689 256258890 /nfs/dbraw/zinc/25/88/90/256258890.db2.gz UUMYOKYIVLINIJ-LBPRGKRZSA-N 1 0 332.404 2.041 20 5 EEBDRO CCCN(CC[NH+](CC)CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000274019641 256346673 /nfs/dbraw/zinc/34/66/73/256346673.db2.gz IFAPMGONVFTLQF-UHFFFAOYSA-N 1 0 339.440 2.070 20 5 EEBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000328588713 258045430 /nfs/dbraw/zinc/04/54/30/258045430.db2.gz NADVWZASAPKQDH-QGZVFWFLSA-N 1 0 336.388 2.244 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000119734944 292248068 /nfs/dbraw/zinc/24/80/68/292248068.db2.gz PKGPOAHOJWPVED-SWLSCSKDSA-N 1 0 338.404 2.270 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262540900 152289932 /nfs/dbraw/zinc/28/99/32/152289932.db2.gz SZXAPXMQAXFZET-QMMMGPOBSA-N 1 0 335.282 2.003 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352208712 153005939 /nfs/dbraw/zinc/00/59/39/153005939.db2.gz SBIJPXNCZICJBZ-UHFFFAOYSA-N 1 0 338.408 2.383 20 5 EEBDRO [NH3+][C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261688310 160408141 /nfs/dbraw/zinc/40/81/41/160408141.db2.gz CFPQKZZEXWJQCI-ZWKOTPCHSA-N 1 0 327.384 2.400 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000073108422 159050469 /nfs/dbraw/zinc/05/04/69/159050469.db2.gz CHLKZZUFWAWXHL-ZDUSSCGKSA-N 1 0 332.404 2.186 20 5 EEBDRO O=C(CC[NH+]1CCC(n2cccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000109007611 159346170 /nfs/dbraw/zinc/34/61/70/159346170.db2.gz PATSULLVACPGIU-UHFFFAOYSA-N 1 0 343.387 2.457 20 5 EEBDRO C[C@H]1CN(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000192748909 160173005 /nfs/dbraw/zinc/17/30/05/160173005.db2.gz YIYOOOAAMOMUSZ-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245446299 160235383 /nfs/dbraw/zinc/23/53/83/160235383.db2.gz LANVXTPAXVTAOD-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000245553563 160241491 /nfs/dbraw/zinc/24/14/91/160241491.db2.gz RJYAEKJIUIASLB-XJKSGUPXSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247962858 160334676 /nfs/dbraw/zinc/33/46/76/160334676.db2.gz GKZZVHVYYXDBBW-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000345850179 161337372 /nfs/dbraw/zinc/33/73/72/161337372.db2.gz IEPRHBZCNFWRDV-KBPBESRZSA-N 1 0 336.436 2.421 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346125779 161359361 /nfs/dbraw/zinc/35/93/61/161359361.db2.gz AMGLXLREIXQGNA-VXGBXAGGSA-N 1 0 337.424 2.263 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000346458171 161373936 /nfs/dbraw/zinc/37/39/36/161373936.db2.gz DMTZRFGVSVQIEG-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000349032548 161502665 /nfs/dbraw/zinc/50/26/65/161502665.db2.gz XHDLBWZGPSDXLX-LBPRGKRZSA-N 1 0 326.356 2.367 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000352488068 162154235 /nfs/dbraw/zinc/15/42/35/162154235.db2.gz LUSIHUYTQQIIHZ-HUUCEWRRSA-N 1 0 337.445 2.430 20 5 EEBDRO CC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000352714567 162257353 /nfs/dbraw/zinc/25/73/53/162257353.db2.gz FHQYUOVILREWLN-HNNXBMFYSA-N 1 0 348.346 2.498 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352865558 162319647 /nfs/dbraw/zinc/31/96/47/162319647.db2.gz BNJZODKBMDLGCR-UHFFFAOYSA-N 1 0 339.395 2.480 20 5 EEBDRO Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000355437063 163188495 /nfs/dbraw/zinc/18/84/95/163188495.db2.gz BIEGFBPKDGMKNL-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000367932502 166022810 /nfs/dbraw/zinc/02/28/10/166022810.db2.gz LGMZUANJIYKHDP-HNNXBMFYSA-N 1 0 334.351 2.301 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000359928092 164198328 /nfs/dbraw/zinc/19/83/28/164198328.db2.gz YIHNSEWJWDMTIR-RYUDHWBXSA-N 1 0 335.404 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375249363 167096137 /nfs/dbraw/zinc/09/61/37/167096137.db2.gz JJONFDJRVWYALK-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccc2c1 ZINC000375901298 167222344 /nfs/dbraw/zinc/22/23/44/167222344.db2.gz BBKXQFWDFSMBDN-IRXDYDNUSA-N 1 0 342.399 2.178 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375963357 167237030 /nfs/dbraw/zinc/23/70/30/167237030.db2.gz JNBBPOIGDUFXBX-INIZCTEOSA-N 1 0 340.383 2.010 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376575664 167353542 /nfs/dbraw/zinc/35/35/42/167353542.db2.gz WDZDGUIIKRGTCE-HZPDHXFCSA-N 1 0 346.431 2.406 20 5 EEBDRO Cc1cc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000272150031 268916829 /nfs/dbraw/zinc/91/68/29/268916829.db2.gz ZVFXBOFHAOWDBH-NVXWUHKLSA-N 1 0 348.378 2.341 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000272321240 268952610 /nfs/dbraw/zinc/95/26/10/268952610.db2.gz TZQBBCMVCMKVNW-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)O1 ZINC000275405082 269113445 /nfs/dbraw/zinc/11/34/45/269113445.db2.gz RSWKSTRHQRNQGF-STQMWFEESA-N 1 0 334.420 2.474 20 5 EEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H]1[NH+]1CCCC1 ZINC000275417497 269114943 /nfs/dbraw/zinc/11/49/43/269114943.db2.gz HBPNFDULVSCKKL-CHWSQXEVSA-N 1 0 340.424 2.332 20 5 EEBDRO Nc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc(F)cc1[N+](=O)[O-] ZINC000277392082 269152869 /nfs/dbraw/zinc/15/28/69/269152869.db2.gz ARKMOJCTQDJQGV-GFCCVEGCSA-N 1 0 336.367 2.063 20 5 EEBDRO C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000277551094 269161687 /nfs/dbraw/zinc/16/16/87/269161687.db2.gz CFIDYBOERULLKJ-GRYCIOLGSA-N 1 0 345.403 2.349 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000278111113 269208507 /nfs/dbraw/zinc/20/85/07/269208507.db2.gz ZNJFUIPXMLNVDI-UHFFFAOYSA-N 1 0 331.376 2.237 20 5 EEBDRO CC1(C)C[C@H](NC[C@@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052266 269258825 /nfs/dbraw/zinc/25/88/25/269258825.db2.gz KGFBDLBBWFBGRB-PBHICJAKSA-N 1 0 333.432 2.364 20 5 EEBDRO C[NH+](C)C/C=C/C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279295970 269268250 /nfs/dbraw/zinc/26/82/50/269268250.db2.gz KWDZPKUIOIHHHS-ONEGZZNKSA-N 1 0 331.294 2.348 20 5 EEBDRO C[C@@H](CS(C)(=O)=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279620719 269294997 /nfs/dbraw/zinc/29/49/97/269294997.db2.gz YGTJXXPIVZWHMC-QMMMGPOBSA-N 1 0 340.323 2.136 20 5 EEBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279846899 269310833 /nfs/dbraw/zinc/31/08/33/269310833.db2.gz RULMOBGPFBPUCL-XJKSGUPXSA-N 1 0 335.404 2.183 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000272092445 274165082 /nfs/dbraw/zinc/16/50/82/274165082.db2.gz YGUWURBDPUCAGD-ZFWWWQNUSA-N 1 0 325.434 2.081 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272554509 274175069 /nfs/dbraw/zinc/17/50/69/274175069.db2.gz PCNHJNPUFLGUDG-UHFFFAOYSA-N 1 0 349.416 2.205 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000275106038 274223710 /nfs/dbraw/zinc/22/37/10/274223710.db2.gz LVTGKUXXXNBYJS-LLVKDONJSA-N 1 0 331.294 2.095 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000275491083 274252310 /nfs/dbraw/zinc/25/23/10/274252310.db2.gz JBJWGEUUENYZOD-BBRMVZONSA-N 1 0 346.387 2.347 20 5 EEBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566448 274374339 /nfs/dbraw/zinc/37/43/39/274374339.db2.gz CYYMWNXMKAIBPA-YVEFUNNKSA-N 1 0 332.356 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285597959 274759301 /nfs/dbraw/zinc/75/93/01/274759301.db2.gz WJFSBUKRQGORNA-UHFFFAOYSA-N 1 0 325.166 2.344 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000361097045 274857340 /nfs/dbraw/zinc/85/73/40/274857340.db2.gz NYTXNGXVYQHYGK-UHFFFAOYSA-N 1 0 328.328 2.033 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952480 274921231 /nfs/dbraw/zinc/92/12/31/274921231.db2.gz FOZRXAVCPUHJFR-NHYWBVRUSA-N 1 0 348.359 2.202 20 5 EEBDRO Cn1c(Sc2c(F)cccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000287314978 274953725 /nfs/dbraw/zinc/95/37/25/274953725.db2.gz NLYBYNYZXVNZIH-UHFFFAOYSA-N 1 0 337.380 2.481 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000287956399 275009719 /nfs/dbraw/zinc/00/97/19/275009719.db2.gz SMTLYOJQLWKGDA-LBPRGKRZSA-N 1 0 336.392 2.166 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1N[C@H]1CCC[NH2+]C1 ZINC000097349480 275033959 /nfs/dbraw/zinc/03/39/59/275033959.db2.gz MCNTZBVBOTYXBC-VIFPVBQESA-N 1 0 347.156 2.363 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000289465009 275118246 /nfs/dbraw/zinc/11/82/46/275118246.db2.gz AFLZVUGJDWVGMO-GXTWGEPZSA-N 1 0 325.796 2.499 20 5 EEBDRO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000290653313 275226307 /nfs/dbraw/zinc/22/63/07/275226307.db2.gz PBIFBKFFSSOVEV-GFCCVEGCSA-N 1 0 343.387 2.021 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292059724 275369636 /nfs/dbraw/zinc/36/96/36/275369636.db2.gz AQTGKEYHSSGJOC-GOSISDBHSA-N 1 0 342.399 2.104 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000338747792 277087674 /nfs/dbraw/zinc/08/76/74/277087674.db2.gz VBFGCCHGVGYNNS-KRWDZBQOSA-N 1 0 327.388 2.460 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454600579 277304007 /nfs/dbraw/zinc/30/40/07/277304007.db2.gz FKTHNESDLBZMQJ-ZDUSSCGKSA-N 1 0 349.416 2.126 20 5 EEBDRO CO[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C[NH3+])C1 ZINC000359223569 277653738 /nfs/dbraw/zinc/65/37/38/277653738.db2.gz DSKINTCYYBWIPF-QWHCGFSZSA-N 1 0 349.412 2.388 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCOCC1 ZINC000129901191 279465197 /nfs/dbraw/zinc/46/51/97/279465197.db2.gz VXGUKEWKQLOOIR-NSHDSACASA-N 1 0 339.367 2.467 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000066138648 280100980 /nfs/dbraw/zinc/10/09/80/280100980.db2.gz AYEITCDZZAEIDH-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO Cc1cccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000364602277 281230029 /nfs/dbraw/zinc/23/00/29/281230029.db2.gz AQOBIIQVGNWCDR-CVEARBPZSA-N 1 0 332.448 2.365 20 5 EEBDRO Cc1cccnc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090554355 292726140 /nfs/dbraw/zinc/72/61/40/292726140.db2.gz NGNMTGFNPHYGLN-INIZCTEOSA-N 1 0 330.388 2.447 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293095434 293124127 /nfs/dbraw/zinc/12/41/27/293124127.db2.gz XIGRRQJQWXKJJB-RDTXWAMCSA-N 1 0 346.431 2.340 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293475736 293218825 /nfs/dbraw/zinc/21/88/25/293218825.db2.gz QWLLCWDWPRVWPZ-CABZTGNLSA-N 1 0 343.305 2.438 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)C1 ZINC000294006242 293348557 /nfs/dbraw/zinc/34/85/57/293348557.db2.gz XSZGQUQFBOKPFK-QGZVFWFLSA-N 1 0 328.372 2.244 20 5 EEBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294988111 293598593 /nfs/dbraw/zinc/59/85/93/293598593.db2.gz HHXXVZABJVVIJB-GFCCVEGCSA-N 1 0 333.388 2.105 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000296951714 294110902 /nfs/dbraw/zinc/11/09/02/294110902.db2.gz XWYICTBSFWSIQR-NONVJHHQSA-N 1 0 344.415 2.419 20 5 EEBDRO 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334.420 2.245 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000090559571 462797807 /nfs/dbraw/zinc/79/78/07/462797807.db2.gz RSHKPHWNFZROOB-INIZCTEOSA-N 1 0 342.399 2.333 20 5 EEBDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000131391074 462807773 /nfs/dbraw/zinc/80/77/73/462807773.db2.gz ZFUVGBNAAGXYBO-HNNXBMFYSA-N 1 0 347.371 2.333 20 5 EEBDRO CC(C)NC(=O)c1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000091481374 462882976 /nfs/dbraw/zinc/88/29/76/462882976.db2.gz RLEYPDSCXIYGBZ-MRXNPFEDSA-N 1 0 334.420 2.485 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077568410 463007328 /nfs/dbraw/zinc/00/73/28/463007328.db2.gz WURXTXPZGXTSMB-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO O=C(C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000051160412 463024449 /nfs/dbraw/zinc/02/44/49/463024449.db2.gz ZSOZLXVGMLYKEE-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000156701552 463058650 /nfs/dbraw/zinc/05/86/50/463058650.db2.gz SJOANZPQYYHTCV-MEDUHNTESA-N 1 0 332.404 2.369 20 5 EEBDRO C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000078689174 463141306 /nfs/dbraw/zinc/14/13/06/463141306.db2.gz KLFKBCQDDBOLJW-AWEZNQCLSA-N 1 0 329.404 2.429 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000068486824 463143257 /nfs/dbraw/zinc/14/32/57/463143257.db2.gz FFCCNKGVUHRUQV-AWEZNQCLSA-N 1 0 332.404 2.335 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000158235898 463218519 /nfs/dbraw/zinc/21/85/19/463218519.db2.gz QSZAIYCSJWKBBB-NSHDSACASA-N 1 0 332.385 2.282 20 5 EEBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136821882 463259770 /nfs/dbraw/zinc/25/97/70/463259770.db2.gz DFUDRCJENWDWHG-HNNXBMFYSA-N 1 0 330.340 2.489 20 5 EEBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000055376339 463312951 /nfs/dbraw/zinc/31/29/51/463312951.db2.gz 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C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000125137203 463507537 /nfs/dbraw/zinc/50/75/37/463507537.db2.gz PFQMAXMJRQNPNW-HNNXBMFYSA-N 1 0 328.372 2.213 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057721683 463514645 /nfs/dbraw/zinc/51/46/45/463514645.db2.gz GXOVTDVURIQJTR-NSHDSACASA-N 1 0 332.404 2.382 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000072520430 463514810 /nfs/dbraw/zinc/51/48/10/463514810.db2.gz UBNRNRXMMCSAPY-UHFFFAOYSA-N 1 0 341.415 2.220 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072859106 463555855 /nfs/dbraw/zinc/55/58/55/463555855.db2.gz UXHIOSPMIFUBLD-UONOGXRCSA-N 1 0 334.420 2.195 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000059893806 463646628 /nfs/dbraw/zinc/64/66/28/463646628.db2.gz BNELZIGJBSDVGX-LBPRGKRZSA-N 1 0 341.433 2.141 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756314 463648085 /nfs/dbraw/zinc/64/80/85/463648085.db2.gz BCMYFBLBQMZOBB-STQMWFEESA-N 1 0 334.294 2.361 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000152512155 463698737 /nfs/dbraw/zinc/69/87/37/463698737.db2.gz OWZGPZNIZCZESJ-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000193384486 463708859 /nfs/dbraw/zinc/70/88/59/463708859.db2.gz DEXABLSHAZIMDA-AWEZNQCLSA-N 1 0 334.420 2.468 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000193493845 463715656 /nfs/dbraw/zinc/71/56/56/463715656.db2.gz JAXSROXJIXFHOJ-GZMMTYOYSA-N 1 0 331.294 2.484 20 5 EEBDRO Cc1nnc([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268507739 463771668 /nfs/dbraw/zinc/77/16/68/463771668.db2.gz UDGGBULOTIZIRI-CYBMUJFWSA-N 1 0 331.376 2.280 20 5 EEBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000177731409 463778063 /nfs/dbraw/zinc/77/80/63/463778063.db2.gz FMNNRLSELKSJRL-LBPRGKRZSA-N 1 0 344.371 2.325 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492334540 468383190 /nfs/dbraw/zinc/38/31/90/468383190.db2.gz BVGRETMLZFDSIV-JGRHXKAPSA-N 1 0 333.363 2.300 20 5 EEBDRO Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000261953592 463909354 /nfs/dbraw/zinc/90/93/54/463909354.db2.gz WVETXTQDRNGMOZ-JTQLQIEISA-N 1 0 332.385 2.428 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269239267 463922678 /nfs/dbraw/zinc/92/26/78/463922678.db2.gz XVLJBKIZNZTDCM-PWSUYJOCSA-N 1 0 341.795 2.213 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262271181 463987692 /nfs/dbraw/zinc/98/76/92/463987692.db2.gz SNPCLVWKJFNDKN-HNNXBMFYSA-N 1 0 341.367 2.220 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989272 464020865 /nfs/dbraw/zinc/02/08/65/464020865.db2.gz DPNYWBUAYZFXLM-XHDPSFHLSA-N 1 0 338.429 2.342 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3ccccc3O)CC2)c1 ZINC000269674110 464053071 /nfs/dbraw/zinc/05/30/71/464053071.db2.gz BJQVGPADFBMLLS-SFHVURJKSA-N 1 0 343.383 2.156 20 5 EEBDRO COCCO[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179344383 464111095 /nfs/dbraw/zinc/11/10/95/464111095.db2.gz XNOWJTSBOQHVBP-QGZVFWFLSA-N 1 0 338.404 2.491 20 5 EEBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)o1 ZINC000263667928 464146681 /nfs/dbraw/zinc/14/66/81/464146681.db2.gz FUGGOXAWHWMMID-NSHDSACASA-N 1 0 332.364 2.117 20 5 EEBDRO COCCC[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000263818651 464204044 /nfs/dbraw/zinc/20/40/44/464204044.db2.gz WUKGONTXDZUNIJ-UHFFFAOYSA-N 1 0 339.421 2.217 20 5 EEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237044475 464256008 /nfs/dbraw/zinc/25/60/08/464256008.db2.gz WLQRCGLAMJTNOQ-BLLLJJGKSA-N 1 0 335.404 2.338 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280948271 464277163 /nfs/dbraw/zinc/27/71/63/464277163.db2.gz HGXJCIWCKKQBJL-UHFFFAOYSA-N 1 0 333.388 2.050 20 5 EEBDRO O=C(CC[N@H+]1CC[C@H](O)C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000292624085 464291473 /nfs/dbraw/zinc/29/14/73/464291473.db2.gz GGCVETLTGUMFCG-HNNXBMFYSA-N 1 0 333.388 2.303 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237354816 464307763 /nfs/dbraw/zinc/30/77/63/464307763.db2.gz HZHYCWMOQSVKAX-KGLIPLIRSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H](C)[N@H+]1C ZINC000292720263 464318653 /nfs/dbraw/zinc/31/86/53/464318653.db2.gz HLRYKAVOLUXHLZ-OKILXGFUSA-N 1 0 346.431 2.360 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237436458 464319096 /nfs/dbraw/zinc/31/90/96/464319096.db2.gz QKGQDBHFRIHVGV-SUMWQHHRSA-N 1 0 342.399 2.459 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237521374 464333099 /nfs/dbraw/zinc/33/30/99/464333099.db2.gz HZVRWWNYMMSPRT-JSGCOSHPSA-N 1 0 332.404 2.147 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292841919 464361537 /nfs/dbraw/zinc/36/15/37/464361537.db2.gz BDDHIZBPPZQAKU-INIZCTEOSA-N 1 0 334.376 2.421 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000174320326 464392830 /nfs/dbraw/zinc/39/28/30/464392830.db2.gz GXSOIQLQXFINKW-CYBMUJFWSA-N 1 0 332.404 2.043 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000294289957 464455710 /nfs/dbraw/zinc/45/57/10/464455710.db2.gz BKDBFRPEBURFFK-OLZOCXBDSA-N 1 0 337.351 2.099 20 5 EEBDRO CC1CC[NH+](C[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000174863719 464459269 /nfs/dbraw/zinc/45/92/69/464459269.db2.gz FQAKUFPYDUHVGE-INIZCTEOSA-N 1 0 335.452 2.235 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272104109 464479727 /nfs/dbraw/zinc/47/97/27/464479727.db2.gz PCKDLCQQWYPNNF-UHFFFAOYSA-N 1 0 346.431 2.479 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351406 464481760 /nfs/dbraw/zinc/48/17/60/464481760.db2.gz KFKXMGYCMANPFN-GJZGRUSLSA-N 1 0 330.388 2.244 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175221195 464508328 /nfs/dbraw/zinc/50/83/28/464508328.db2.gz HZKLNEHTZKDGAX-CYBMUJFWSA-N 1 0 335.404 2.469 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000175266958 464515724 /nfs/dbraw/zinc/51/57/24/464515724.db2.gz WESXZPPZGIJNTO-HNNXBMFYSA-N 1 0 349.431 2.148 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285385775 464545540 /nfs/dbraw/zinc/54/55/40/464545540.db2.gz BSSHVFNKYDVWPG-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000294794504 464606417 /nfs/dbraw/zinc/60/64/17/464606417.db2.gz HWJNBEFYMVRBQZ-OAHLLOKOSA-N 1 0 346.431 2.457 20 5 EEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000294830662 464619221 /nfs/dbraw/zinc/61/92/21/464619221.db2.gz DGJWMSCVUFRARV-CQSZACIVSA-N 1 0 343.387 2.151 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294872008 464633082 /nfs/dbraw/zinc/63/30/82/464633082.db2.gz PGODEILFZZCWMS-UHFFFAOYSA-N 1 0 343.811 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000281944469 464644496 /nfs/dbraw/zinc/64/44/96/464644496.db2.gz AGZQECKJLJBCRG-AWEZNQCLSA-N 1 0 337.395 2.278 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272574654 464665474 /nfs/dbraw/zinc/66/54/74/464665474.db2.gz RCHHWNIEGIJZLI-UHFFFAOYSA-N 1 0 341.358 2.487 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285713364 464667792 /nfs/dbraw/zinc/66/77/92/464667792.db2.gz OXXRNPRKOYLPLC-ZDUSSCGKSA-N 1 0 343.387 2.055 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295034246 464684198 /nfs/dbraw/zinc/68/41/98/464684198.db2.gz SDSANEIQJAIBKT-UHFFFAOYSA-N 1 0 333.388 2.110 20 5 EEBDRO Cc1cc(C)c(NC(=O)CN(C)CCn2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000176204792 464720700 /nfs/dbraw/zinc/72/07/00/464720700.db2.gz SBOKKEDLKGTFLU-UHFFFAOYSA-N 1 0 345.403 2.287 20 5 EEBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000285925042 464744617 /nfs/dbraw/zinc/74/46/17/464744617.db2.gz DYHFITLBQOHCHF-ZDUSSCGKSA-N 1 0 343.387 2.055 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000285990036 464766342 /nfs/dbraw/zinc/76/63/42/464766342.db2.gz IDRAOOLUACAYKF-CQSZACIVSA-N 1 0 343.387 2.124 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H](C)N1C ZINC000295444614 464837043 /nfs/dbraw/zinc/83/70/43/464837043.db2.gz KQOPYVDKVCNKIZ-TXEJJXNPSA-N 1 0 343.387 2.150 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000183363075 464855196 /nfs/dbraw/zinc/85/51/96/464855196.db2.gz ZVDMLVVGCMQSBW-NWDGAFQWSA-N 1 0 349.435 2.263 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]2C1 ZINC000192472902 464932449 /nfs/dbraw/zinc/93/24/49/464932449.db2.gz YLBGPVFJIFEQOI-TXEJJXNPSA-N 1 0 331.397 2.443 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000593907556 468428708 /nfs/dbraw/zinc/42/87/08/468428708.db2.gz XQHABSWILCKMOR-NWDGAFQWSA-N 1 0 345.403 2.004 20 5 EEBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298159105 465319697 /nfs/dbraw/zinc/31/96/97/465319697.db2.gz NZJBWXZQDFSPCK-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351830437 465386928 /nfs/dbraw/zinc/38/69/28/465386928.db2.gz RWKZNSHZKPXGDL-OUAUKWLOSA-N 1 0 341.795 2.211 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337551010 465428448 /nfs/dbraw/zinc/42/84/48/465428448.db2.gz PNKUTVAYDVCMMN-CABCVRRESA-N 1 0 332.404 2.363 20 5 EEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538406 465441661 /nfs/dbraw/zinc/44/16/61/465441661.db2.gz AXVPRXZYJKGSIY-ONGXEEELSA-N 1 0 335.364 2.079 20 5 EEBDRO C[C@@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298932225 465544893 /nfs/dbraw/zinc/54/48/93/465544893.db2.gz IERSURXPBPWALP-CYBMUJFWSA-N 1 0 332.404 2.393 20 5 EEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000353093046 465632957 /nfs/dbraw/zinc/63/29/57/465632957.db2.gz RXMKBYMLVKKZAA-LBPRGKRZSA-N 1 0 343.387 2.273 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000299207060 465648712 /nfs/dbraw/zinc/64/87/12/465648712.db2.gz CVHKBLCFJMBZEA-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO CCOC[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344552244 465668355 /nfs/dbraw/zinc/66/83/55/465668355.db2.gz MJSWVNSNSJKAPR-AWEZNQCLSA-N 1 0 337.401 2.205 20 5 EEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303293 465702326 /nfs/dbraw/zinc/70/23/26/465702326.db2.gz NYXIGXYYRKUUAI-QAPCUYQASA-N 1 0 332.448 2.053 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000361073762 465747459 /nfs/dbraw/zinc/74/74/59/465747459.db2.gz MNUKKCNNWCVAGJ-STQMWFEESA-N 1 0 339.440 2.421 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299436566 465747992 /nfs/dbraw/zinc/74/79/92/465747992.db2.gz YZBOZFUGXZIHKD-CQSZACIVSA-N 1 0 340.383 2.181 20 5 EEBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000338072997 465799363 /nfs/dbraw/zinc/79/93/63/465799363.db2.gz KOTZQJHXLSZBKJ-UHFFFAOYSA-N 1 0 342.380 2.468 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000593995829 468455329 /nfs/dbraw/zinc/45/53/29/468455329.db2.gz AHQZAXSIJKDULN-QGZVFWFLSA-N 1 0 349.431 2.160 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000591352763 468456236 /nfs/dbraw/zinc/45/62/36/468456236.db2.gz KTSQRVYXBUWUFO-HNNXBMFYSA-N 1 0 334.420 2.359 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591359340 468458481 /nfs/dbraw/zinc/45/84/81/468458481.db2.gz VVKUGLZCGBQWGQ-CQSZACIVSA-N 1 0 332.404 2.236 20 5 EEBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301213713 465922108 /nfs/dbraw/zinc/92/21/08/465922108.db2.gz YQFPLAWZNRRYBS-ZDUSSCGKSA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NCC[N@@H+]3CCc4ccccc4C3)c21 ZINC000357311012 465936986 /nfs/dbraw/zinc/93/69/86/465936986.db2.gz URTXVAHZDQUXQK-UHFFFAOYSA-N 1 0 349.394 3.008 20 5 EEBDRO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504605 465938427 /nfs/dbraw/zinc/93/84/27/465938427.db2.gz SHQGYPQSRSVWMR-SUMWQHHRSA-N 1 0 343.431 2.490 20 5 EEBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301568802 465988132 /nfs/dbraw/zinc/98/81/32/465988132.db2.gz QOBINBCDYFXKRQ-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000366884738 465995135 /nfs/dbraw/zinc/99/51/35/465995135.db2.gz OHIBZRWAPJMGBQ-QGPMSJSTSA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301688003 466010549 /nfs/dbraw/zinc/01/05/49/466010549.db2.gz WINUFXHWOLBAAT-ZDUSSCGKSA-N 1 0 348.451 2.448 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252820 466031342 /nfs/dbraw/zinc/03/13/42/466031342.db2.gz ZGPLTZLGOAEJLU-HEHGZKQESA-N 1 0 347.415 2.406 20 5 EEBDRO CC(C)[C@H](O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000304265893 466271756 /nfs/dbraw/zinc/27/17/56/466271756.db2.gz DADVOORKSYXHJK-MRXNPFEDSA-N 1 0 332.404 2.492 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578252 468485926 /nfs/dbraw/zinc/48/59/26/468485926.db2.gz GSURHVCANYFNRT-HOCLYGCPSA-N 1 0 329.404 2.149 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027435 466395495 /nfs/dbraw/zinc/39/54/95/466395495.db2.gz RLHQVZPDKSCICX-ZFWWWQNUSA-N 1 0 341.433 2.060 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000347226070 466491706 /nfs/dbraw/zinc/49/17/06/466491706.db2.gz DGNKPQWQHRCAKK-WDEREUQCSA-N 1 0 341.795 2.083 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000341052808 466543626 /nfs/dbraw/zinc/54/36/26/466543626.db2.gz WEXMXALLOFCQQC-UHFFFAOYSA-N 1 0 345.447 2.463 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354432681 466563718 /nfs/dbraw/zinc/56/37/18/466563718.db2.gz PCJGCQMQVNOVEL-ZIAGYGMSSA-N 1 0 335.404 2.305 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000316620489 466574068 /nfs/dbraw/zinc/57/40/68/466574068.db2.gz LDDIFPNYXUMZHW-PSASIEDQSA-N 1 0 347.824 2.057 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362148279 466587832 /nfs/dbraw/zinc/58/78/32/466587832.db2.gz ISARMKMECOADIK-DOMZBBRYSA-N 1 0 335.404 2.331 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000368302967 466595058 /nfs/dbraw/zinc/59/50/58/466595058.db2.gz ALODSAKWRWULAM-ZDUSSCGKSA-N 1 0 341.209 2.284 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000415428662 466675447 /nfs/dbraw/zinc/67/54/47/466675447.db2.gz AKKATAAZHUAFOV-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327068 466719343 /nfs/dbraw/zinc/71/93/43/466719343.db2.gz CTIBABVVIQDDHN-WMZOPIPTSA-N 1 0 343.431 2.397 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411475064 466832252 /nfs/dbraw/zinc/83/22/52/466832252.db2.gz RXWSKFIJCWRFNK-BSWAZPDLSA-N 1 0 329.400 2.441 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365669953 466903718 /nfs/dbraw/zinc/90/37/18/466903718.db2.gz LLKGKLDTMOFSBB-OAHLLOKOSA-N 1 0 346.431 2.453 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000417712538 466915254 /nfs/dbraw/zinc/91/52/54/466915254.db2.gz GBRSRFJLTSBHMS-KBPBESRZSA-N 1 0 349.435 2.084 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423963171 466929258 /nfs/dbraw/zinc/92/92/58/466929258.db2.gz FJGXSQCFKDHGOK-ZWKOTPCHSA-N 1 0 339.395 2.399 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424029576 466957917 /nfs/dbraw/zinc/95/79/17/466957917.db2.gz FTICPXMJBLCTCV-UHFFFAOYSA-N 1 0 334.401 2.400 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000424036226 466959899 /nfs/dbraw/zinc/95/98/99/466959899.db2.gz UGVGEIIMTQYOAS-UHFFFAOYSA-N 1 0 337.423 2.223 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000370990647 467065546 /nfs/dbraw/zinc/06/55/46/467065546.db2.gz FXTVKGXMINPZOO-IAGOWNOFSA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412561678 467096517 /nfs/dbraw/zinc/09/65/17/467096517.db2.gz UMQPGJDZICCNRC-UHFFFAOYSA-N 1 0 349.366 2.329 20 5 EEBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CC[N@@H+]1C[C@H](C)O ZINC000413129282 467175673 /nfs/dbraw/zinc/17/56/73/467175673.db2.gz LHLQBWRPTDAFPA-KBPBESRZSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339318 467233030 /nfs/dbraw/zinc/23/30/30/467233030.db2.gz YRDIUBUAOVBSBM-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000428960562 467283881 /nfs/dbraw/zinc/28/38/81/467283881.db2.gz CISYCPYTTWNCKR-ZYHUDNBSSA-N 1 0 325.796 2.295 20 5 EEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452010788 467304044 /nfs/dbraw/zinc/30/40/44/467304044.db2.gz FONJIYUDWIELPM-UKRRQHHQSA-N 1 0 337.376 2.089 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420278892 467336477 /nfs/dbraw/zinc/33/64/77/467336477.db2.gz WMIMGJWEXQSDNC-LLVKDONJSA-N 1 0 340.811 2.118 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284477 467338457 /nfs/dbraw/zinc/33/84/57/467338457.db2.gz OWROEHMMRUSVOZ-GOEBONIOSA-N 1 0 348.447 2.356 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420287726 467339324 /nfs/dbraw/zinc/33/93/24/467339324.db2.gz RLMQNJIFYIKGOB-WCQYABFASA-N 1 0 332.404 2.416 20 5 EEBDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429579320 467350211 /nfs/dbraw/zinc/35/02/11/467350211.db2.gz LLSGKMKBHLTPLJ-WDEREUQCSA-N 1 0 335.360 2.382 20 5 EEBDRO CN(C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000420342001 467369085 /nfs/dbraw/zinc/36/90/85/467369085.db2.gz PFEYCGDOOAURHO-KRWDZBQOSA-N 1 0 346.431 2.022 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000434029637 467372647 /nfs/dbraw/zinc/37/26/47/467372647.db2.gz DCNSGMSTTRGKDT-ZDUSSCGKSA-N 1 0 349.435 2.245 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389855266 467402829 /nfs/dbraw/zinc/40/28/29/467402829.db2.gz ZEEJXUOLNSPIPE-PELKAZGASA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420451107 467411991 /nfs/dbraw/zinc/41/19/91/467411991.db2.gz VDJSNZFMLIGGSS-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414945115 467455317 /nfs/dbraw/zinc/45/53/17/467455317.db2.gz HWKOIXNKLYGVFU-MRVPVSSYSA-N 1 0 332.307 2.173 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448604538 467595678 /nfs/dbraw/zinc/59/56/78/467595678.db2.gz IOLCBOURNMOLAV-UHFFFAOYSA-N 1 0 331.294 2.439 20 5 EEBDRO CC[NH+]1CCN(CCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450255153 467809534 /nfs/dbraw/zinc/80/95/34/467809534.db2.gz AUOWKZUTUQKBDW-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000589512777 468158359 /nfs/dbraw/zinc/15/83/59/468158359.db2.gz DUKLILLISXEWFB-INIZCTEOSA-N 1 0 335.404 2.153 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000519698416 468196203 /nfs/dbraw/zinc/19/62/03/468196203.db2.gz AHRQRNHORLYNMM-UHFFFAOYSA-N 1 0 337.420 2.170 20 5 EEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195987 468508527 /nfs/dbraw/zinc/50/85/27/468508527.db2.gz JTRNOKDAVUBLOI-LSDHHAIUSA-N 1 0 343.387 2.218 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000591749385 468514382 /nfs/dbraw/zinc/51/43/82/468514382.db2.gz OEXYECDPPCSLRY-CZUORRHYSA-N 1 0 331.372 2.123 20 5 EEBDRO C[NH+](C)C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000597314026 468517382 /nfs/dbraw/zinc/51/73/82/468517382.db2.gz RUEOYWZSXFFUTO-UHFFFAOYSA-N 1 0 333.388 2.059 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1C ZINC000591770250 468518010 /nfs/dbraw/zinc/51/80/10/468518010.db2.gz QOPRVMRZPKNRCB-INIZCTEOSA-N 1 0 331.372 2.136 20 5 EEBDRO CCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000569687075 468528700 /nfs/dbraw/zinc/52/87/00/468528700.db2.gz WWHPWLVLTWPZPD-HNNXBMFYSA-N 1 0 338.404 2.131 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597533823 468589483 /nfs/dbraw/zinc/58/94/83/468589483.db2.gz SXYQYMNXZWXTEN-CZUORRHYSA-N 1 0 343.387 2.197 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592245247 468663422 /nfs/dbraw/zinc/66/34/22/468663422.db2.gz ZCMJAHCPVAYASF-BXKDBHETSA-N 1 0 343.305 2.438 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccco1 ZINC000595004540 468742210 /nfs/dbraw/zinc/74/22/10/468742210.db2.gz TYOAXQRLQGGHQQ-LLVKDONJSA-N 1 0 333.344 2.277 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595023852 468745136 /nfs/dbraw/zinc/74/51/36/468745136.db2.gz YYWZGXYMAGBXEE-VXGBXAGGSA-N 1 0 336.392 2.058 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000583853401 468764708 /nfs/dbraw/zinc/76/47/08/468764708.db2.gz NZJCJMXYTXBTDQ-APHBMKBZSA-N 1 0 333.388 2.245 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c([N+](=O)[O-])s1 ZINC000601178261 468772632 /nfs/dbraw/zinc/77/26/32/468772632.db2.gz NELRMKWFBHFHGX-CYBMUJFWSA-N 1 0 338.433 2.072 20 5 EEBDRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965755 468829160 /nfs/dbraw/zinc/82/91/60/468829160.db2.gz IFTLDQLOHOOCGB-ZDUSSCGKSA-N 1 0 335.429 2.181 20 5 EEBDRO COc1ccc(CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560768312 468844929 /nfs/dbraw/zinc/84/49/29/468844929.db2.gz KCXXLPZLAVPYQV-HIFRSBDPSA-N 1 0 347.415 2.231 20 5 EEBDRO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560759893 468845560 /nfs/dbraw/zinc/84/55/60/468845560.db2.gz ICSSSTSPLSJDIO-OCCSQVGLSA-N 1 0 332.404 2.335 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000571874945 468851914 /nfs/dbraw/zinc/85/19/14/468851914.db2.gz GTIIKUYWCMLZGG-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000595478095 468870479 /nfs/dbraw/zinc/87/04/79/468870479.db2.gz ZIHRNIPACWQNAU-CQSZACIVSA-N 1 0 337.395 2.278 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C1CC1 ZINC000593121303 468877898 /nfs/dbraw/zinc/87/78/98/468877898.db2.gz AHWLWDGSPIEVMY-LSDHHAIUSA-N 1 0 334.372 2.234 20 5 EEBDRO COc1c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598557136 468911848 /nfs/dbraw/zinc/91/18/48/468911848.db2.gz BEBIUWIEQMGQDX-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000598560807 468913283 /nfs/dbraw/zinc/91/32/83/468913283.db2.gz NNWLHONFJFTJGO-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595595025 468915979 /nfs/dbraw/zinc/91/59/79/468915979.db2.gz AURLPYRWXQILBO-MRXNPFEDSA-N 1 0 338.379 2.391 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595695891 468959000 /nfs/dbraw/zinc/95/90/00/468959000.db2.gz IYIUCQOSSXQCQS-MLGOLLRUSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1ccc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCOCC2)cc1 ZINC000610485053 468983086 /nfs/dbraw/zinc/98/30/86/468983086.db2.gz GZDSNBDYNYMXKR-UHFFFAOYSA-N 1 0 346.387 2.095 20 5 EEBDRO CC[C@]1(CO)CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614662884 469009123 /nfs/dbraw/zinc/00/91/23/469009123.db2.gz QNVTUWGFSCECIN-KRWDZBQOSA-N 1 0 336.388 2.351 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595807146 469022606 /nfs/dbraw/zinc/02/26/06/469022606.db2.gz IMRGKGXOEJDXHG-UHFFFAOYSA-N 1 0 349.431 2.018 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000598914017 469047907 /nfs/dbraw/zinc/04/79/07/469047907.db2.gz VKUWBERHNXDEPL-CJNGLKHVSA-N 1 0 348.403 2.345 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610719354 469048944 /nfs/dbraw/zinc/04/89/44/469048944.db2.gz KKBMAAQMIOYWMQ-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000573167033 469073860 /nfs/dbraw/zinc/07/38/60/469073860.db2.gz SRPLCVXXAPSDDW-UHFFFAOYSA-N 1 0 348.355 2.486 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000602790589 469076349 /nfs/dbraw/zinc/07/63/49/469076349.db2.gz LYXHEPRYUGYDOY-KRWDZBQOSA-N 1 0 344.415 2.472 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595935870 469092265 /nfs/dbraw/zinc/09/22/65/469092265.db2.gz WNICTQCVUAIQSY-UHFFFAOYSA-N 1 0 330.182 2.167 20 5 EEBDRO C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000593707025 469103662 /nfs/dbraw/zinc/10/36/62/469103662.db2.gz AHHYLJVPJZNAEP-IGCXYCKISA-N 1 0 332.404 2.426 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000595984929 469106527 /nfs/dbraw/zinc/10/65/27/469106527.db2.gz YHFSWPDTUDYHER-ZDUSSCGKSA-N 1 0 334.420 2.169 20 5 EEBDRO COc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000596070662 469139214 /nfs/dbraw/zinc/13/92/14/469139214.db2.gz RCTAZOSFRMADST-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNc2ccc(N)c([N+](=O)[O-])n2)c1 ZINC000596080183 469145260 /nfs/dbraw/zinc/14/52/60/469145260.db2.gz ARWZGBZIXMWVDQ-UHFFFAOYSA-N 1 0 329.404 3.026 20 5 EEBDRO CN(C(=O)C[NH+]1CCC2(CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611177886 469182891 /nfs/dbraw/zinc/18/28/91/469182891.db2.gz OEIJSTSCVHAXJX-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000611203194 469191925 /nfs/dbraw/zinc/19/19/25/469191925.db2.gz PRTYXFRELGJJAB-CYBMUJFWSA-N 1 0 337.420 2.275 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596488257 469282135 /nfs/dbraw/zinc/28/21/35/469282135.db2.gz PFNFPUUTFGOHPO-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486145 469336918 /nfs/dbraw/zinc/33/69/18/469336918.db2.gz CFFKYRJFNJCLEN-BDAKNGLRSA-N 1 0 342.193 2.357 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3n[nH]cc3C2)n1 ZINC000616008171 469353333 /nfs/dbraw/zinc/35/33/33/469353333.db2.gz VZBBOHVWYNDVCF-VHDGCEQUSA-N 1 0 330.392 2.145 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@]12CCCO2 ZINC000602551706 469358406 /nfs/dbraw/zinc/35/84/06/469358406.db2.gz QKCDHLCGIFBINE-BRWVUGGUSA-N 1 0 336.388 2.420 20 5 EEBDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483572 469477554 /nfs/dbraw/zinc/47/75/54/469477554.db2.gz DECYWPXXBHGFMG-WCQYABFASA-N 1 0 335.379 2.438 20 5 EEBDRO CCCC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604473349 469481350 /nfs/dbraw/zinc/48/13/50/469481350.db2.gz YCHIYDHWJYFVSL-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000619844805 469689081 /nfs/dbraw/zinc/68/90/81/469689081.db2.gz ZHEFGFILNCDVJZ-GFCCVEGCSA-N 1 0 343.449 2.145 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000609839733 469964842 /nfs/dbraw/zinc/96/48/42/469964842.db2.gz HLXUXQXRMMNZMY-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CN(CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000610291494 470000559 /nfs/dbraw/zinc/00/05/59/470000559.db2.gz BDDMTLKXJLGLLZ-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610422043 470013900 /nfs/dbraw/zinc/01/39/00/470013900.db2.gz PTRADACYLAAYNY-MQIPJXDCSA-N 1 0 343.387 2.173 20 5 EEBDRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420324878 534507868 /nfs/dbraw/zinc/50/78/68/534507868.db2.gz VNYDHKHAQZYSLJ-GFCCVEGCSA-N 1 0 338.795 2.013 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132673177 527742616 /nfs/dbraw/zinc/74/26/16/527742616.db2.gz BIRPQNIVWSEDLD-HIFRSBDPSA-N 1 0 338.404 2.270 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182378882 528025250 /nfs/dbraw/zinc/02/52/50/528025250.db2.gz HYIZACCFJULTTA-GFCCVEGCSA-N 1 0 349.387 2.031 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173991861 528290084 /nfs/dbraw/zinc/29/00/84/528290084.db2.gz MUHAOZSTOKMQEU-AWEZNQCLSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173995861 528291097 /nfs/dbraw/zinc/29/10/97/528291097.db2.gz FHFQHYMDTLJYHP-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000160048437 528837010 /nfs/dbraw/zinc/83/70/10/528837010.db2.gz LTUOXOVQOMDIAI-UHFFFAOYSA-N 1 0 331.376 2.088 20 5 EEBDRO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000183755048 529295420 /nfs/dbraw/zinc/29/54/20/529295420.db2.gz SXWNDTLLFAVWKR-KRWDZBQOSA-N 1 0 343.431 2.388 20 5 EEBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456021991 535505064 /nfs/dbraw/zinc/50/50/64/535505064.db2.gz IUCISYGQYNVLEJ-UHFFFAOYSA-N 1 0 337.424 2.226 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491533250 535856391 /nfs/dbraw/zinc/85/63/91/535856391.db2.gz OMNCNUFLFXHCKG-JEJOPICUSA-N 1 0 347.415 2.177 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423058360 536446768 /nfs/dbraw/zinc/44/67/68/536446768.db2.gz BWYFQTDOGYAOSX-UHFFFAOYSA-N 1 0 343.383 2.295 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=S)NCC(C)(C)C[NH+](C)C ZINC000727073231 576398785 /nfs/dbraw/zinc/39/87/85/576398785.db2.gz AIZZWLQTKODPFU-UHFFFAOYSA-N 1 0 338.477 2.489 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000727673542 576443452 /nfs/dbraw/zinc/44/34/52/576443452.db2.gz QHPINNLFVLQFHW-CYBMUJFWSA-N 1 0 335.404 2.137 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521146 576662904 /nfs/dbraw/zinc/66/29/04/576662904.db2.gz BPJGNGUBUZGGEQ-CHWSQXEVSA-N 1 0 334.420 2.478 20 5 EEBDRO C[N@@H+]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000771927179 577239207 /nfs/dbraw/zinc/23/92/07/577239207.db2.gz IWOGJMPQSSCNLP-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773103988 577315952 /nfs/dbraw/zinc/31/59/52/577315952.db2.gz CXWZEUCTKJRQEK-GFCCVEGCSA-N 1 0 347.337 2.467 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NOC2CC[NH+](C)CC2)c1 ZINC000773544612 577349236 /nfs/dbraw/zinc/34/92/36/577349236.db2.gz CYJIZNPJNDVGBX-UHFFFAOYSA-N 1 0 325.390 2.072 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CC1 ZINC000774529736 577402452 /nfs/dbraw/zinc/40/24/52/577402452.db2.gz TTYQVWCAFSNOJG-MRXNPFEDSA-N 1 0 332.404 2.239 20 5 EEBDRO COC(=O)CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(C)C ZINC000764996736 577492586 /nfs/dbraw/zinc/49/25/86/577492586.db2.gz YMKCNFVOHQBURM-UHFFFAOYSA-N 1 0 334.376 2.484 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770394328 577595367 /nfs/dbraw/zinc/59/53/67/577595367.db2.gz HDRMLKSQZSTDCI-UWVGGRQHSA-N 1 0 326.194 2.009 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758267610 577620484 /nfs/dbraw/zinc/62/04/84/577620484.db2.gz JIEQKBFVTGJFIP-HNNXBMFYSA-N 1 0 336.461 2.086 20 5 EEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000758317682 577621561 /nfs/dbraw/zinc/62/15/61/577621561.db2.gz NPNFEQDCQGDJNQ-UHFFFAOYSA-N 1 0 347.419 2.099 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000758480180 577625569 /nfs/dbraw/zinc/62/55/69/577625569.db2.gz GQYCJFLAACKOAW-QGZVFWFLSA-N 1 0 342.399 2.413 20 5 EEBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020562698 675137872 /nfs/dbraw/zinc/13/78/72/675137872.db2.gz KZBKTNYRMIGNCD-SHTZXODSSA-N 1 0 343.383 2.476 20 5 EEBDRO C[C@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000891649349 676751474 /nfs/dbraw/zinc/75/14/74/676751474.db2.gz PIQCROHVEFREPG-CQSZACIVSA-N 1 0 334.420 2.483 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891667636 676762762 /nfs/dbraw/zinc/76/27/62/676762762.db2.gz HCSUMPQZWFIZPI-UKRRQHHQSA-N 1 0 338.795 2.332 20 5 EEBDRO CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000891759094 676819198 /nfs/dbraw/zinc/81/91/98/676819198.db2.gz XLIMBGTWGJPAKW-ZDUSSCGKSA-N 1 0 340.811 2.184 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000982988568 681612596 /nfs/dbraw/zinc/61/25/96/681612596.db2.gz SWIMVVNVDRVYMB-KOMQPUFPSA-N 1 0 347.415 2.006 20 5 EEBDRO Cn1nc2c(c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)COCC2 ZINC000894271307 681897547 /nfs/dbraw/zinc/89/75/47/681897547.db2.gz FYSQFYADRORAIA-UHFFFAOYSA-N 1 0 330.388 2.076 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000984944290 685568090 /nfs/dbraw/zinc/56/80/90/685568090.db2.gz MRKZOAAJHYKSJU-CTYIDZIISA-N 1 0 343.383 2.415 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000983518212 682763302 /nfs/dbraw/zinc/76/33/02/682763302.db2.gz MAMFCNZWFQLFLF-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983533421 682790125 /nfs/dbraw/zinc/79/01/25/682790125.db2.gz MKSHKXQKWBAVFU-KOMQPUFPSA-N 1 0 343.383 2.415 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CCC(N(C)CC(F)F)CC1 ZINC000892830708 683111814 /nfs/dbraw/zinc/11/18/14/683111814.db2.gz FMFMIZWESSQCOL-UHFFFAOYSA-N 1 0 330.335 2.164 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025729129 683251749 /nfs/dbraw/zinc/25/17/49/683251749.db2.gz JAYPAAYJAPJKCM-FVQHAEBGSA-N 1 0 340.383 2.092 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1=CCCC1 ZINC001025734403 683253038 /nfs/dbraw/zinc/25/30/38/683253038.db2.gz ACOOXBWTZVNMEY-FVQHAEBGSA-N 1 0 327.384 2.252 20 5 EEBDRO Cc1cocc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025947751 683680010 /nfs/dbraw/zinc/68/00/10/683680010.db2.gz ODRZQZUYTQPGSY-HALDLXJZSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245031 684368980 /nfs/dbraw/zinc/36/89/80/684368980.db2.gz CKDYKRYVCHNNFP-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330354 684505902 /nfs/dbraw/zinc/50/59/02/684505902.db2.gz LKEHNOQEQURIHV-RHSMWYFYSA-N 1 0 332.356 2.172 20 5 EEBDRO CSc1ccccc1OC[C@@H](O)C[N@H+](CC[N+](=O)[O-])C(C)C ZINC000930720821 684506592 /nfs/dbraw/zinc/50/65/92/684506592.db2.gz TYUSVJGHHWWEGR-ZDUSSCGKSA-N 1 0 328.434 2.135 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCN(Cc3cn[nH]c3)CC2)c2ccccc21 ZINC000895959821 684784330 /nfs/dbraw/zinc/78/43/30/684784330.db2.gz IUOWSKXWPCSPPR-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896619668 685129645 /nfs/dbraw/zinc/12/96/45/685129645.db2.gz IHXLRWGFDMWYGM-CYBMUJFWSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000985431992 686707570 /nfs/dbraw/zinc/70/75/70/686707570.db2.gz VCKQFFNDUZAOFL-IAGOWNOFSA-N 1 0 331.416 2.083 20 5 EEBDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246312 688228536 /nfs/dbraw/zinc/22/85/36/688228536.db2.gz GSJVECCSJDXUMH-CXAGYDPISA-N 1 0 332.404 2.393 20 5 EEBDRO CC(C)(C)CC[C@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000904307717 694354770 /nfs/dbraw/zinc/35/47/70/694354770.db2.gz FCJRRJNBBPGEPM-AWEZNQCLSA-N 1 0 335.452 2.265 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000027752203 694367254 /nfs/dbraw/zinc/36/72/54/694367254.db2.gz PLOAMHLRVMKZLI-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO Cn1c2ccccc2c(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1=O ZINC000893492635 692382017 /nfs/dbraw/zinc/38/20/17/692382017.db2.gz RMIKTTLEKSQSOI-CYBMUJFWSA-N 1 0 344.415 2.367 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898842745 693489522 /nfs/dbraw/zinc/48/95/22/693489522.db2.gz XULJSCXEJXVNCK-GJZGRUSLSA-N 1 0 333.388 2.206 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000905640826 1189841362 /nfs/dbraw/zinc/84/13/62/1189841362.db2.gz OUBSHQYDUAJFCD-QGZVFWFLSA-N 1 0 330.388 2.415 20 5 EEBDRO Cc1sccc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134841327 1197849007 /nfs/dbraw/zinc/84/90/07/1197849007.db2.gz BQMMAWNSYDFNRR-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000872028012 1198029936 /nfs/dbraw/zinc/02/99/36/1198029936.db2.gz OYCGJMMMXVMNFT-TZMCWYRMSA-N 1 0 339.461 2.424 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000810849113 1199764088 /nfs/dbraw/zinc/76/40/88/1199764088.db2.gz ZWTVJUFKRLZKOZ-VXGBXAGGSA-N 1 0 348.355 2.150 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000810847325 1199778864 /nfs/dbraw/zinc/77/88/64/1199778864.db2.gz MKTKQUFDECAJHY-VXGBXAGGSA-N 1 0 334.328 2.107 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346013 1199909281 /nfs/dbraw/zinc/90/92/81/1199909281.db2.gz NEDXSMMQKZGODX-AWEZNQCLSA-N 1 0 341.367 2.048 20 5 EEBDRO CCCc1[nH]ccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132687264 1199928180 /nfs/dbraw/zinc/92/81/80/1199928180.db2.gz YDJWAGBZUXMBND-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878124969 1200271048 /nfs/dbraw/zinc/27/10/48/1200271048.db2.gz LLZDHFAWWTVCIS-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878166652 1200296788 /nfs/dbraw/zinc/29/67/88/1200296788.db2.gz AKWPCAIMIRRXBT-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000880251177 1201436330 /nfs/dbraw/zinc/43/63/30/1201436330.db2.gz JAOABWBMAHLGQC-HNNXBMFYSA-N 1 0 343.431 2.479 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000866369689 1201501205 /nfs/dbraw/zinc/50/12/05/1201501205.db2.gz NCZBZRFIFMHZDB-KCPJHIHWSA-N 1 0 335.379 2.408 20 5 EEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000866617795 1201561296 /nfs/dbraw/zinc/56/12/96/1201561296.db2.gz PNQNFLBWJRRRTH-UHFFFAOYSA-N 1 0 334.781 2.051 20 5 EEBDRO O=[N+]([O-])c1c(F)nccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000882041367 1201807018 /nfs/dbraw/zinc/80/70/18/1201807018.db2.gz QLUYHUGHUFJUML-UHFFFAOYSA-N 1 0 338.383 2.210 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095361790 1204183815 /nfs/dbraw/zinc/18/38/15/1204183815.db2.gz RXFXZCNMIYEPOU-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095625212 1205895520 /nfs/dbraw/zinc/89/55/20/1205895520.db2.gz DNYRJTLCWSISDM-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931045958 1206602589 /nfs/dbraw/zinc/60/25/89/1206602589.db2.gz ZSRNGERJZZBVEX-ABAIWWIYSA-N 1 0 338.383 2.087 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931721335 1207448699 /nfs/dbraw/zinc/44/86/99/1207448699.db2.gz MQHWERWYYOSBKZ-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO O=[N+]([O-])c1cnn(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000795718653 1215014766 /nfs/dbraw/zinc/01/47/66/1215014766.db2.gz MFNVOJXDZZNUGA-GOSISDBHSA-N 1 0 341.415 2.347 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001114782282 1215283460 /nfs/dbraw/zinc/28/34/60/1215283460.db2.gz LRLGTJCOYLZQDQ-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO CC[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000098012771 1216249951 /nfs/dbraw/zinc/24/99/51/1216249951.db2.gz KNFRYHWGKMEEIK-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccnc(F)c1 ZINC001020019188 1229444244 /nfs/dbraw/zinc/44/42/44/1229444244.db2.gz VXBNRHHGDXYHAL-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO CC1(NC(=O)c2ncc[nH]2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045435966 1233744536 /nfs/dbraw/zinc/74/45/36/1233744536.db2.gz ZOUDYKFPCPNWQZ-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO Cc1cc(N2CC[NH+](CCCNC(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001096248835 1236630613 /nfs/dbraw/zinc/63/06/13/1236630613.db2.gz ZEBMYWGCXLPFGC-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO O=C(C1CC=CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048734075 1238465739 /nfs/dbraw/zinc/46/57/39/1238465739.db2.gz FUDFAFIBODDEOP-CALCHBBNSA-N 1 0 341.411 2.451 20 5 EEBDRO Cc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001056062648 1238662724 /nfs/dbraw/zinc/66/27/24/1238662724.db2.gz PVCYMIHFSPQMRG-UHFFFAOYSA-N 1 0 346.431 2.036 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097190873 1243828011 /nfs/dbraw/zinc/82/80/11/1243828011.db2.gz VRNCIIYRVRIRGT-BETUJISGSA-N 1 0 338.383 2.133 20 5 EEBDRO O=C(NCc1cccc2c1CC[N@H+](CCC1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051288980 1245482659 /nfs/dbraw/zinc/48/26/59/1245482659.db2.gz ARUGNHNDUNKLCC-QZTJIDSGSA-N 1 0 343.427 2.126 20 5 EEBDRO Cc1ccc(N(CCNC(=O)C[NH+]2CCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC001101347393 1245693669 /nfs/dbraw/zinc/69/36/69/1245693669.db2.gz MZXBUUIJRFIXAQ-UHFFFAOYSA-N 1 0 346.431 2.084 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000154697595 1278998236 /nfs/dbraw/zinc/99/82/36/1278998236.db2.gz BACCVIZWNUTPNG-CYBMUJFWSA-N 1 0 334.420 2.170 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104529039 1285221160 /nfs/dbraw/zinc/22/11/60/1285221160.db2.gz PDGDZQVDRJDOLC-UHFFFAOYSA-N 1 0 338.364 2.163 20 5 EEBDRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199328249 1285608784 /nfs/dbraw/zinc/60/87/84/1285608784.db2.gz SMDJXHZDEQMMBE-UHFFFAOYSA-N 1 0 347.415 2.435 20 5 EEBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C2)ccc1I ZINC001218284532 1297623331 /nfs/dbraw/zinc/62/33/31/1297623331.db2.gz XACMVGIPLSVUBM-VIFPVBQESA-N 1 0 348.140 2.330 20 5 EEBDRO O=[N+]([O-])c1ccc(I)c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218284289 1297623741 /nfs/dbraw/zinc/62/37/41/1297623741.db2.gz UFWSLGFNYOAJGB-VIFPVBQESA-N 1 0 348.140 2.330 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@@H]2C=CC[NH2+]C2)cc1I ZINC001218330990 1297633805 /nfs/dbraw/zinc/63/38/05/1297633805.db2.gz MMNPWWJYOYXYMF-SECBINFHSA-N 1 0 346.124 2.106 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001101890221 1299991554 /nfs/dbraw/zinc/99/15/54/1299991554.db2.gz PWGKPMQMFMPKHY-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO COCC[NH+]1CCC(Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225848401 1301173671 /nfs/dbraw/zinc/17/36/71/1301173671.db2.gz XCTZCYQMLYHRJC-UHFFFAOYSA-N 1 0 349.309 2.498 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228245682 1302173919 /nfs/dbraw/zinc/17/39/19/1302173919.db2.gz WFELOGXLYHSGCU-QHBPRCKVSA-N 1 0 344.371 2.353 20 5 EEBDRO CCOC(=O)c1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001229065415 1302597534 /nfs/dbraw/zinc/59/75/34/1302597534.db2.gz BFXYPQQCLIUIQA-JTQLQIEISA-N 1 0 346.245 2.494 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC001103650078 1303188434 /nfs/dbraw/zinc/18/84/34/1303188434.db2.gz BHVMGVREWXHIDO-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH+]1CCCC1 ZINC000780584079 1303675682 /nfs/dbraw/zinc/67/56/82/1303675682.db2.gz ZESDKTHFFXKMCT-OLZOCXBDSA-N 1 0 349.416 2.147 20 5 EEBDRO C[NH+]1CCC(C(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001111819516 1303939686 /nfs/dbraw/zinc/93/96/86/1303939686.db2.gz FWDUIFOZRSUSMB-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001111826982 1303953645 /nfs/dbraw/zinc/95/36/45/1303953645.db2.gz LIRVQXBSRHTMAQ-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799192034 1305181192 /nfs/dbraw/zinc/18/11/92/1305181192.db2.gz BAKWIGSJHHWKAW-CYBMUJFWSA-N 1 0 326.356 2.078 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001118193071 1306311713 /nfs/dbraw/zinc/31/17/13/1306311713.db2.gz JUCRXDHGVAGVCS-SNVBAGLBSA-N 1 0 334.401 2.446 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000842483518 1315714570 /nfs/dbraw/zinc/71/45/70/1315714570.db2.gz MCVFHFCCOMQJPD-GFCCVEGCSA-N 1 0 349.840 2.208 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001122031758 1310202782 /nfs/dbraw/zinc/20/27/82/1310202782.db2.gz OKUBGPAADAMIRW-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CN(Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1)C(N)=[NH2+] ZINC001247534332 1310630508 /nfs/dbraw/zinc/63/05/08/1310630508.db2.gz SRMLYCYVDGCYDR-UHFFFAOYSA-N 1 0 333.355 2.158 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247894432 1310770283 /nfs/dbraw/zinc/77/02/83/1310770283.db2.gz VQWTUCSYAJJDSN-IEBDPFPHSA-N 1 0 333.323 2.282 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570893 1314502912 /nfs/dbraw/zinc/50/29/12/1314502912.db2.gz UPJCECQOWQDVCU-PQEBFOHHSA-N 1 0 329.400 2.393 20 5 EEBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000838186056 1315141792 /nfs/dbraw/zinc/14/17/92/1315141792.db2.gz NCAHSRPLESUBSP-UHFFFAOYSA-N 1 0 348.428 2.443 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000843077592 1315836273 /nfs/dbraw/zinc/83/62/73/1315836273.db2.gz SVKIUNCLPBHBJG-AEFFLSMTSA-N 1 0 330.384 2.384 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000843092732 1315840045 /nfs/dbraw/zinc/84/00/45/1315840045.db2.gz DOMIBSDUJLTXCI-IEBWSBKVSA-N 1 0 344.411 2.438 20 5 EEBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843349349 1315896468 /nfs/dbraw/zinc/89/64/68/1315896468.db2.gz VYYYAJQSERIPMZ-GHMZBOCLSA-N 1 0 340.811 2.117 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000843351768 1315897491 /nfs/dbraw/zinc/89/74/91/1315897491.db2.gz CTJZNBNJGYZEJP-AXFHLTTASA-N 1 0 340.811 2.257 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000843353904 1315898117 /nfs/dbraw/zinc/89/81/17/1315898117.db2.gz QFZGGTOMEXDMJQ-QMTHXVAHSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000843358534 1315899948 /nfs/dbraw/zinc/89/99/48/1315899948.db2.gz VKEHLWJSQRJJAP-JTQLQIEISA-N 1 0 332.326 2.083 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000843453871 1315917753 /nfs/dbraw/zinc/91/77/53/1315917753.db2.gz JCHDXBRJJVNMRJ-UHFFFAOYSA-N 1 0 346.156 2.108 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000843470866 1315919918 /nfs/dbraw/zinc/91/99/18/1315919918.db2.gz FWWVEIFTHCXJKU-CJNGLKHVSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001151448260 1316536539 /nfs/dbraw/zinc/53/65/39/1316536539.db2.gz LOESJQQCSMKWJA-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1C(C)C ZINC001153890344 1316909446 /nfs/dbraw/zinc/90/94/46/1316909446.db2.gz DTFLSJIUOYPHAG-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO [NH3+]C[C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1 ZINC001249262480 1317037680 /nfs/dbraw/zinc/03/76/80/1317037680.db2.gz RVMNEAAOXMATIA-LLVKDONJSA-N 1 0 329.291 2.270 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001154748822 1317294000 /nfs/dbraw/zinc/29/40/00/1317294000.db2.gz QNHPVLLIRCQWTC-QMMMGPOBSA-N 1 0 334.207 2.002 20 5 EEBDRO C[C@H](O)C[NH2+]CCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC001251975423 1317531164 /nfs/dbraw/zinc/53/11/64/1317531164.db2.gz NWZWFXXFACZQMP-AWEZNQCLSA-N 1 0 337.423 2.478 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001155461573 1317606908 /nfs/dbraw/zinc/60/69/08/1317606908.db2.gz GMBNYTUGICCZNC-UHFFFAOYSA-N 1 0 338.364 2.100 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155478349 1317614767 /nfs/dbraw/zinc/61/47/67/1317614767.db2.gz SMFMRDXREODOQB-QMMMGPOBSA-N 1 0 347.202 2.477 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001155624068 1317679122 /nfs/dbraw/zinc/67/91/22/1317679122.db2.gz VDUDFTKKUJSHRU-YVEFUNNKSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)C1(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156528513 1318056591 /nfs/dbraw/zinc/05/65/91/1318056591.db2.gz BQVPNOWUOMJILU-UHFFFAOYSA-N 1 0 349.174 2.004 20 5 EEBDRO CCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1 ZINC001254588479 1318136450 /nfs/dbraw/zinc/13/64/50/1318136450.db2.gz ZTBSHAVWOFKPHW-AWEZNQCLSA-N 1 0 338.429 2.009 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3ncccn3)CC1)C2 ZINC001254602100 1318140933 /nfs/dbraw/zinc/14/09/33/1318140933.db2.gz BEZIGZWKZBVFRS-INIZCTEOSA-N 1 0 340.383 2.395 20 5 EEBDRO CCN1CC2(CC1=O)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606104 1318142815 /nfs/dbraw/zinc/14/28/15/1318142815.db2.gz DVAMKMLSOSFVTC-QGZVFWFLSA-N 1 0 343.427 2.396 20 5 EEBDRO N=C(Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)SCC[NH3+] ZINC001157131200 1318425490 /nfs/dbraw/zinc/42/54/90/1318425490.db2.gz YDVWKWRFRHKBSN-UHFFFAOYSA-N 1 0 336.352 2.229 20 5 EEBDRO COc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ncc1[N+](=O)[O-] ZINC001157218094 1318497349 /nfs/dbraw/zinc/49/73/49/1318497349.db2.gz JWCUJMDUNRDYOK-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@]3(C)CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256092193 1318645402 /nfs/dbraw/zinc/64/54/02/1318645402.db2.gz HSXOUNORONYMTB-KRWDZBQOSA-N 1 0 335.404 2.341 20 5 EEBDRO [NH3+]C[C@@]1(F)CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001157813382 1318879710 /nfs/dbraw/zinc/87/97/10/1318879710.db2.gz RZYVHUOSVNCJOZ-ZDUSSCGKSA-N 1 0 325.731 2.069 20 5 EEBDRO CC(C)(C)CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C1CC[NH2+]CC1 ZINC001157891856 1318918810 /nfs/dbraw/zinc/91/88/10/1318918810.db2.gz VNOWINILMZRGLY-UHFFFAOYSA-N 1 0 342.827 2.486 20 5 EEBDRO CC(C)[N@@H+]1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001158495483 1319269937 /nfs/dbraw/zinc/26/99/37/1319269937.db2.gz SKPGVYAHCDOXID-UZYOAWRESA-N 1 0 333.436 2.441 20 5 EEBDRO C[N@H+](C1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158731761 1319406335 /nfs/dbraw/zinc/40/63/35/1319406335.db2.gz XUCVQZLQRKXMCD-QMMMGPOBSA-N 1 0 347.202 2.206 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3ccc(-c4ccccc4[N+](=O)[O-])nn3)c2c1 ZINC001159029007 1319568411 /nfs/dbraw/zinc/56/84/11/1319568411.db2.gz ODJLJYFLDPAREM-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO CCOC(=O)C1=C(N=c2ccc3cccc([N+](=O)[O-])c3[nH]2)CC[NH2+]C1 ZINC001159452148 1319810707 /nfs/dbraw/zinc/81/07/07/1319810707.db2.gz CGYMOCKCOPRPPP-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO Cc1ccc(-c2ccc(N[C@@H](C)[C@H]3C[NH2+]CCO3)nn2)cc1[N+](=O)[O-] ZINC001159498355 1319838056 /nfs/dbraw/zinc/83/80/56/1319838056.db2.gz LBUFNZVWZFRDAA-BLLLJJGKSA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1nc(Cl)nc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160194075 1320094468 /nfs/dbraw/zinc/09/44/68/1320094468.db2.gz DFDQUWSXUIXXEU-SECBINFHSA-N 1 0 335.751 2.204 20 5 EEBDRO COCCC1([NH3+])CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001162046109 1320731440 /nfs/dbraw/zinc/73/14/40/1320731440.db2.gz KLXNZWLNAGGLEZ-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@]2(F)CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001162587788 1320905588 /nfs/dbraw/zinc/90/55/88/1320905588.db2.gz XLWASQCRGDKJIP-INIZCTEOSA-N 1 0 339.367 2.204 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162850162 1320973512 /nfs/dbraw/zinc/97/35/12/1320973512.db2.gz QQMURVJFFNVQQY-GFCCVEGCSA-N 1 0 327.340 2.403 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163059007 1321025915 /nfs/dbraw/zinc/02/59/15/1321025915.db2.gz APMIZUZLNCMHMO-NSHDSACASA-N 1 0 335.795 2.088 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c2ccncc21 ZINC001163325807 1321098604 /nfs/dbraw/zinc/09/86/04/1321098604.db2.gz YWPDDWSUKABHDZ-YVEFUNNKSA-N 1 0 328.372 2.466 20 5 EEBDRO Cc1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c([N+](=O)[O-])cc1Br ZINC001163347780 1321102528 /nfs/dbraw/zinc/10/25/28/1321102528.db2.gz KVVILHGYQTXJIF-CDMKHQONSA-N 1 0 342.193 2.207 20 5 EEBDRO Nc1nc(N2CCC(C[NH3+])(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001164440050 1321378790 /nfs/dbraw/zinc/37/87/90/1321378790.db2.gz ZVBIFSHRQXUVTB-UHFFFAOYSA-N 1 0 327.388 2.069 20 5 EEBDRO Cc1nc(Cl)nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001164603444 1321431638 /nfs/dbraw/zinc/43/16/38/1321431638.db2.gz JKVNYOKWZBGODO-ZDUSSCGKSA-N 1 0 347.806 2.368 20 5 EEBDRO Nc1cc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165084525 1321452141 /nfs/dbraw/zinc/45/21/41/1321452141.db2.gz LEOHZXRQSOUXPM-YOEHRIQHSA-N 1 0 339.399 2.283 20 5 EEBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001165108078 1321456223 /nfs/dbraw/zinc/45/62/23/1321456223.db2.gz KTPNELPIGOBDEP-HNNXBMFYSA-N 1 0 334.420 2.378 20 5 EEBDRO Nc1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001165266973 1321487664 /nfs/dbraw/zinc/48/76/64/1321487664.db2.gz XJFFZHDOYBFHMY-LBPRGKRZSA-N 1 0 345.325 2.083 20 5 EEBDRO N=c1sc2c(n1-c1ccc3c(cccc3[N+](=O)[O-])n1)CC[NH2+]C2 ZINC001166860970 1321804113 /nfs/dbraw/zinc/80/41/13/1321804113.db2.gz YIXGNGUGRBVFKK-UHFFFAOYSA-N 1 0 327.369 2.120 20 5 EEBDRO COc1ncc(Nc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001210138759 1325173774 /nfs/dbraw/zinc/17/37/74/1325173774.db2.gz YBQRQNMIQADXTR-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318772393 1332592209 /nfs/dbraw/zinc/59/22/09/1332592209.db2.gz NCGVROVHJRHMAT-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC001321294884 1333066648 /nfs/dbraw/zinc/06/66/48/1333066648.db2.gz VCZGWNAJBUWOMN-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001324314433 1333656010 /nfs/dbraw/zinc/65/60/10/1333656010.db2.gz JHOQHJFQVVMDMO-UHFFFAOYSA-N 1 0 338.360 2.235 20 5 EEBDRO Cc1nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001330589444 1334874423 /nfs/dbraw/zinc/87/44/23/1334874423.db2.gz HENRMDQDVJRDHS-OAHLLOKOSA-N 1 0 327.388 2.404 20 5 EEBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001330984350 1334940762 /nfs/dbraw/zinc/94/07/62/1334940762.db2.gz MHTTXFDHRCPJPB-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331349045 1335000577 /nfs/dbraw/zinc/00/05/77/1335000577.db2.gz ZAOQEHRRSLSQGF-YESZJQIVSA-N 1 0 329.400 2.395 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC001331680144 1335057493 /nfs/dbraw/zinc/05/74/93/1335057493.db2.gz MQRKZLBKRGPFJY-FZMZJTMJSA-N 1 0 330.388 2.245 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001333710540 1336111643 /nfs/dbraw/zinc/11/16/43/1336111643.db2.gz LKAMSYOOILRWGY-CHWSQXEVSA-N 1 0 338.408 2.300 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480935 1336382677 /nfs/dbraw/zinc/38/26/77/1336382677.db2.gz DBNCLHXAKWRWAQ-XZJROXQQSA-N 1 0 334.372 2.356 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC001357208621 1338972307 /nfs/dbraw/zinc/97/23/07/1338972307.db2.gz ARHMCOVUZGWRJW-ZBFHGGJFSA-N 1 0 332.331 2.361 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001358170708 1339031473 /nfs/dbraw/zinc/03/14/73/1339031473.db2.gz QQCUYZLLCABIFH-MRXNPFEDSA-N 1 0 327.384 2.084 20 5 EEBDRO C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576017421 1343946375 /nfs/dbraw/zinc/94/63/75/1343946375.db2.gz SRXWKHUILOJYBH-ZIAGYGMSSA-N 1 0 334.420 2.469 20 5 EEBDRO C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC[NH2+]CC1 ZINC001579483017 1344388002 /nfs/dbraw/zinc/38/80/02/1344388002.db2.gz HOSRLUXISHCLJR-NSHDSACASA-N 1 0 342.399 2.448 20 5 EEBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997308 1351049224 /nfs/dbraw/zinc/04/92/24/1351049224.db2.gz BILMEVXITOPHMD-QLJPJBMISA-N 1 0 346.391 2.068 20 5 EEBDRO Cc1cc(NCCC[NH+]2CCCCC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605733831 1351219862 /nfs/dbraw/zinc/21/98/62/1351219862.db2.gz NCLZWMJQYRJTNC-UHFFFAOYSA-N 1 0 345.407 2.371 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001607081598 1351410384 /nfs/dbraw/zinc/41/03/84/1351410384.db2.gz HZMIPYJBNSLNQF-CYBMUJFWSA-N 1 0 343.391 2.204 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850433624 1367142693 /nfs/dbraw/zinc/14/26/93/1367142693.db2.gz OXNMDFVLIIVVIM-AEGPPILISA-N 1 0 335.404 2.117 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818532873 1367433011 /nfs/dbraw/zinc/43/30/11/1367433011.db2.gz SOXDYMBVHAJPCO-JTQLQIEISA-N 1 0 329.759 2.270 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000853161676 1369321715 /nfs/dbraw/zinc/32/17/15/1369321715.db2.gz XJFUJVLDNPVRJL-GFCCVEGCSA-N 1 0 340.811 2.120 20 5 EEBDRO Cc1cc(NC2(CNC(=O)CC[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001111903273 1371294682 /nfs/dbraw/zinc/29/46/82/1371294682.db2.gz PCHVFMMARTZQBZ-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@@H](CCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488902 1371302024 /nfs/dbraw/zinc/30/20/24/1371302024.db2.gz JPUJRWQPIUYDQS-LBPRGKRZSA-N 1 0 339.367 2.157 20 5 EEBDRO O=C(OC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835098433 1372591678 /nfs/dbraw/zinc/59/16/78/1372591678.db2.gz QUICTRMAFTWHSL-GFCCVEGCSA-N 1 0 331.328 2.364 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C1 ZINC000839537331 1372908560 /nfs/dbraw/zinc/90/85/60/1372908560.db2.gz WSJDFASQMANPAF-LTCOOKNTSA-N 1 0 345.443 2.446 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100546898 1373077090 /nfs/dbraw/zinc/07/70/90/1373077090.db2.gz XBGFYATULFSQPD-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncoc1C ZINC001754036054 1406817964 /nfs/dbraw/zinc/81/79/64/1406817964.db2.gz DFUBYLJHPNTQPQ-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C[NH3+] ZINC001576700342 1403598776 /nfs/dbraw/zinc/59/87/76/1403598776.db2.gz QUWZCVDPDIIFPT-PELKAZGASA-N 1 0 341.799 2.422 20 5 EEBDRO CC(C)OCC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001755527494 1407589465 /nfs/dbraw/zinc/58/94/65/1407589465.db2.gz FPYNTUSMPSAYEV-UHFFFAOYSA-N 1 0 349.431 2.443 20 5 EEBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725221 720332802 /nfs/dbraw/zinc/33/28/02/720332802.db2.gz MRDCRFZJXFWONI-HZPDHXFCSA-N 1 0 325.372 2.238 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154741244 769166642 /nfs/dbraw/zinc/16/66/42/769166642.db2.gz FPZCFDQUQCNYRQ-CQSZACIVSA-N 1 0 348.403 2.153 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000920762468 770856255 /nfs/dbraw/zinc/85/62/55/770856255.db2.gz INQJAMKQCRJJHX-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CC(C)(C)n1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001128579305 783188555 /nfs/dbraw/zinc/18/85/55/783188555.db2.gz OUOFQSLBJOWJGO-UHFFFAOYSA-N 1 0 345.403 2.066 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000981138678 776585514 /nfs/dbraw/zinc/58/55/14/776585514.db2.gz XRCOYNJKNSTDTH-IAGOWNOFSA-N 1 0 331.416 2.003 20 5 EEBDRO CSCC(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981607641 777766208 /nfs/dbraw/zinc/76/62/08/777766208.db2.gz ABLCRIVJOQSFMT-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001106926436 779001023 /nfs/dbraw/zinc/00/10/23/779001023.db2.gz GRUNOJKJHJYELN-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@](C)(C[NH3+])C1 ZINC000261651749 779660059 /nfs/dbraw/zinc/66/00/59/779660059.db2.gz HJKNOEMZGKKDEZ-BONVTDFDSA-N 1 0 340.811 2.246 20 5 EEBDRO NC(=O)C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809784332 783387281 /nfs/dbraw/zinc/38/72/81/783387281.db2.gz GBPXAYSDPXCJME-VIFPVBQESA-N 1 0 342.193 2.055 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001035187615 784064655 /nfs/dbraw/zinc/06/46/55/784064655.db2.gz YRXKFPQNQNZKFZ-HUUCEWRRSA-N 1 0 349.456 2.228 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091490500 791002017 /nfs/dbraw/zinc/00/20/17/791002017.db2.gz XDGMVJILGYSIPG-JOCQHMNTSA-N 1 0 349.435 2.027 20 5 EEBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[N@@H+]1C ZINC000817293405 784660697 /nfs/dbraw/zinc/66/06/97/784660697.db2.gz QDZVLEJORDPTQO-CYBMUJFWSA-N 1 0 338.383 2.089 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC000997770828 791048635 /nfs/dbraw/zinc/04/86/35/791048635.db2.gz ZGMGQKNGJCJJJF-IAGOWNOFSA-N 1 0 349.406 2.150 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000817677602 784914401 /nfs/dbraw/zinc/91/44/01/784914401.db2.gz ZSFSBWPUYSSJQK-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818006989 785162315 /nfs/dbraw/zinc/16/23/15/785162315.db2.gz UIURHZSWOVSUCC-LBPRGKRZSA-N 1 0 331.775 2.419 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000818608487 785321237 /nfs/dbraw/zinc/32/12/37/785321237.db2.gz FNIUZNHVGDKWMH-NSHDSACASA-N 1 0 325.315 2.037 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819190926 785456163 /nfs/dbraw/zinc/45/61/63/785456163.db2.gz MFIUCWIPZJDXBN-INIZCTEOSA-N 1 0 331.328 2.369 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000819256412 785470345 /nfs/dbraw/zinc/47/03/45/785470345.db2.gz MQQZDAZSCDDVCZ-WBVHZDCISA-N 1 0 332.404 2.391 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000820552263 785968765 /nfs/dbraw/zinc/96/87/65/785968765.db2.gz MXFAIKCREFEROG-GMSGAONNSA-N 1 0 344.774 2.134 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000805753734 786439637 /nfs/dbraw/zinc/43/96/37/786439637.db2.gz RVPGTHRLUMMQJG-ZWKOTPCHSA-N 1 0 343.383 2.314 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820885335 786514040 /nfs/dbraw/zinc/51/40/40/786514040.db2.gz FVBUPODIRQKRRG-OAHLLOKOSA-N 1 0 347.415 2.195 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001107274425 786716198 /nfs/dbraw/zinc/71/61/98/786716198.db2.gz CVOLGVZEYDEPOY-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO COc1cc(Cc2noc([C@H]3CC[NH2+][C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823146281 787566862 /nfs/dbraw/zinc/56/68/62/787566862.db2.gz NXXMKLJYTDFKNK-SKDRFNHKSA-N 1 0 348.359 2.051 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823790719 787946227 /nfs/dbraw/zinc/94/62/27/787946227.db2.gz KIXLCLSPZHCJSI-YALNPMBYSA-N 1 0 329.400 2.108 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823899861 787973310 /nfs/dbraw/zinc/97/33/10/787973310.db2.gz YRWFOFNZFUHKHB-CJNGLKHVSA-N 1 0 335.404 2.009 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000824559043 788214725 /nfs/dbraw/zinc/21/47/25/788214725.db2.gz CZGOBQQMVYTLEA-CQSZACIVSA-N 1 0 327.812 2.185 20 5 EEBDRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000912595390 788253672 /nfs/dbraw/zinc/25/36/72/788253672.db2.gz BZDVTOHSNSDAFS-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO O=C(N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC000996986574 788348168 /nfs/dbraw/zinc/34/81/68/788348168.db2.gz BDEOJKMRZDXBHE-UHFFFAOYSA-N 1 0 341.408 2.487 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825035869 788408518 /nfs/dbraw/zinc/40/85/18/788408518.db2.gz UKDLACCFGSVUDA-DLBZAZTESA-N 1 0 349.431 2.255 20 5 EEBDRO C[NH+](C)C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000923005629 788546812 /nfs/dbraw/zinc/54/68/12/788546812.db2.gz OKRUSVBLRFDFMK-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000843511769 788668552 /nfs/dbraw/zinc/66/85/52/788668552.db2.gz KXZIDYNTAGYINS-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168545897 789124164 /nfs/dbraw/zinc/12/41/64/789124164.db2.gz RLPHBIDIIFSWTC-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1F ZINC000923267954 789252242 /nfs/dbraw/zinc/25/22/42/789252242.db2.gz SXHFRYBCNHAQHG-WDEREUQCSA-N 1 0 339.342 2.490 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000923353019 789432405 /nfs/dbraw/zinc/43/24/05/789432405.db2.gz YVMQXFVHMZMTSW-QZTJIDSGSA-N 1 0 345.374 2.414 20 5 EEBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Br ZINC000923522329 789725920 /nfs/dbraw/zinc/72/59/20/789725920.db2.gz SUBMIVGZTZZGST-NWDGAFQWSA-N 1 0 340.221 2.399 20 5 EEBDRO Cn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000846018052 790024050 /nfs/dbraw/zinc/02/40/50/790024050.db2.gz KIVVPRAJBYUWRR-CYBMUJFWSA-N 1 0 346.362 2.416 20 5 EEBDRO CCC1(Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168574913 790180630 /nfs/dbraw/zinc/18/06/30/790180630.db2.gz IMPAXJYRBMMJCE-UHFFFAOYSA-N 1 0 341.371 2.406 20 5 EEBDRO CC(C)c1oncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146440939 791268950 /nfs/dbraw/zinc/26/89/50/791268950.db2.gz DHRAUHTYXCYJBZ-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO Cc1nccn1C[C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000171461443 791366149 /nfs/dbraw/zinc/36/61/49/791366149.db2.gz NQJPVVHEYOWCGM-NSHDSACASA-N 1 0 331.376 2.056 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001171394925 794640560 /nfs/dbraw/zinc/64/05/60/794640560.db2.gz WRFKLCLLDLBCHT-SNVBAGLBSA-N 1 0 325.328 2.329 20 5 EEBDRO CC(C)Cc1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001127267685 795074091 /nfs/dbraw/zinc/07/40/91/795074091.db2.gz YJSBCQWVMLQCHB-UHFFFAOYSA-N 1 0 345.403 2.036 20 5 EEBDRO O=C(NCCCNc1ccccc1[N+](=O)[O-])c1ccn2c[nH+]cc2c1 ZINC001094887611 796925136 /nfs/dbraw/zinc/92/51/36/796925136.db2.gz BDHFKJYSRBTZNH-UHFFFAOYSA-N 1 0 339.355 2.475 20 5 EEBDRO CCC(=O)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172909189 797132651 /nfs/dbraw/zinc/13/26/51/797132651.db2.gz QBBMTNUTBOHMSH-MRXNPFEDSA-N 1 0 331.416 2.396 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CC(CO)C3)CC2)c(F)c1 ZINC001173011378 797195908 /nfs/dbraw/zinc/19/59/08/797195908.db2.gz CCCMETJTYUFATQ-UHFFFAOYSA-N 1 0 341.358 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](CO)[C@H]2C)c1F ZINC001173180088 797278547 /nfs/dbraw/zinc/27/85/47/797278547.db2.gz IIBAXCFQKJYNTG-UTUOFQBUSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CC(C)C)C(N)=O)c1F ZINC001173181108 797279328 /nfs/dbraw/zinc/27/93/28/797279328.db2.gz ATNWDNPADAYWLX-ZYHUDNBSSA-N 1 0 341.383 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(C)([NH+](C)C)C2)c1F ZINC001173196805 797283433 /nfs/dbraw/zinc/28/34/33/797283433.db2.gz PBQJHUNHFIHZPV-LLVKDONJSA-N 1 0 325.384 2.309 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1N1CCOCC1 ZINC001173222722 797305540 /nfs/dbraw/zinc/30/55/40/797305540.db2.gz YVDGRCZPRJFJBO-OLMNPRSZSA-N 1 0 333.432 2.369 20 5 EEBDRO COCCOc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173226552 797310660 /nfs/dbraw/zinc/31/06/60/797310660.db2.gz XQUNTOSLEFORHO-ZDUSSCGKSA-N 1 0 346.387 2.131 20 5 EEBDRO CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691781 797603364 /nfs/dbraw/zinc/60/33/64/797603364.db2.gz PQXKHPJOCKLBLT-GFCCVEGCSA-N 1 0 341.433 2.136 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cc(F)c[nH]1 ZINC001003326482 799530997 /nfs/dbraw/zinc/53/09/97/799530997.db2.gz DGBNVQXHPLPNGQ-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO O=C(CCOc1ccccc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150923118 800385000 /nfs/dbraw/zinc/38/50/00/800385000.db2.gz OUSKMKBRKXQENL-UHFFFAOYSA-N 1 0 349.412 2.331 20 5 EEBDRO Cc1conc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086527680 803414208 /nfs/dbraw/zinc/41/42/08/803414208.db2.gz BRTMDTJYZGZPEI-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168973981 803557152 /nfs/dbraw/zinc/55/71/52/803557152.db2.gz PUIGAGQMMIPXKC-TZMCWYRMSA-N 1 0 348.403 2.317 20 5 EEBDRO COc1ccccc1Cn1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168998310 803563827 /nfs/dbraw/zinc/56/38/27/803563827.db2.gz LDFHCPCAFXWXKQ-ZBFHGGJFSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)NCCC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033948 803578722 /nfs/dbraw/zinc/57/87/22/803578722.db2.gz DVJKRQVFCWMPKE-TZMCWYRMSA-N 1 0 327.425 2.278 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039762 803582715 /nfs/dbraw/zinc/58/27/15/803582715.db2.gz SXVKPNFXNTZJKV-HUUCEWRRSA-N 1 0 334.420 2.048 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018711 803587133 /nfs/dbraw/zinc/58/71/33/803587133.db2.gz CDFKFSYNUWBQFN-ZSYWTGECSA-N 1 0 344.459 2.281 20 5 EEBDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[C@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169019462 803587908 /nfs/dbraw/zinc/58/79/08/803587908.db2.gz IGMXJVXTQYWZJV-VQJWOFKYSA-N 1 0 336.392 2.118 20 5 EEBDRO COc1ccc(CN2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022455 803589207 /nfs/dbraw/zinc/58/92/07/803589207.db2.gz BSEJHXABJPSRLJ-DLBZAZTESA-N 1 0 333.432 2.258 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)cc1OC ZINC001169803311 804060165 /nfs/dbraw/zinc/06/01/65/804060165.db2.gz WSMKTFBDGZJZRD-UHFFFAOYSA-N 1 0 349.387 2.288 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1c[nH]nc1C1CC1 ZINC001169994797 805373051 /nfs/dbraw/zinc/37/30/51/805373051.db2.gz XJJWXOVDFNDFTJ-UHFFFAOYSA-N 1 0 349.416 2.167 20 5 EEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000788417796 807526098 /nfs/dbraw/zinc/52/60/98/807526098.db2.gz WFKMRKRHLGGWEP-UHFFFAOYSA-N 1 0 336.369 2.424 20 5 EEBDRO CCc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001170196425 809824412 /nfs/dbraw/zinc/82/44/12/809824412.db2.gz MHQDKNCCNZZIGU-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO COCCn1cncc1C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170306235 809867496 /nfs/dbraw/zinc/86/74/96/809867496.db2.gz SRSULXKNTXKRMY-CYBMUJFWSA-N 1 0 348.403 2.167 20 5 EEBDRO COc1ccc(C[C@H](C)[N@H+]2CCc3nccn3CC2)c([N+](=O)[O-])c1 ZINC001170350477 809919029 /nfs/dbraw/zinc/91/90/29/809919029.db2.gz AIDIGOQQNSOZFO-ZDUSSCGKSA-N 1 0 330.388 2.289 20 5 EEBDRO COCc1csc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001130879480 812148817 /nfs/dbraw/zinc/14/88/17/812148817.db2.gz NSOBLIOKUNTZOY-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994182 214263410 /nfs/dbraw/zinc/26/34/10/214263410.db2.gz FHWAIKICZGWFIX-ZBFHGGJFSA-N 1 0 347.415 2.227 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416042515 529934875 /nfs/dbraw/zinc/93/48/75/529934875.db2.gz KBNBZYSLGKGJDV-LBPRGKRZSA-N 1 0 348.325 2.058 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415990903 530004392 /nfs/dbraw/zinc/00/43/92/530004392.db2.gz DTUGNPJUTAJZIY-LLVKDONJSA-N 1 0 334.298 2.016 20 5 EEBDRO C[C@H](CCNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183173655 234935272 /nfs/dbraw/zinc/93/52/72/234935272.db2.gz RARWONXVSHBELX-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1([NH+](C)C)CCC1 ZINC000186972239 236082462 /nfs/dbraw/zinc/08/24/62/236082462.db2.gz MZVCFGMTKDSIJR-ZDUSSCGKSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072835743 216314141 /nfs/dbraw/zinc/31/41/41/216314141.db2.gz QTZXVGOUNKLLBN-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000191928904 239385702 /nfs/dbraw/zinc/38/57/02/239385702.db2.gz AJEGUXGUBJVPMG-UHFFFAOYSA-N 1 0 349.412 2.053 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000421891919 240044845 /nfs/dbraw/zinc/04/48/45/240044845.db2.gz KXVTXMOREKSRPL-OAHLLOKOSA-N 1 0 349.431 2.442 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422881450 240274812 /nfs/dbraw/zinc/27/48/12/240274812.db2.gz NPZXKMSJHUBWDQ-NEPJUHHUSA-N 1 0 326.356 2.110 20 5 EEBDRO C[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000422996603 240324999 /nfs/dbraw/zinc/32/49/99/240324999.db2.gz TXSQBDBUUZJPHV-WBMJQRKESA-N 1 0 343.387 2.207 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426220913 241241164 /nfs/dbraw/zinc/24/11/64/241241164.db2.gz VGYYDJCWPJBWGL-HZPDHXFCSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCO3)o2)cc1 ZINC000447985566 242348263 /nfs/dbraw/zinc/34/82/63/242348263.db2.gz GNAJGHMXVZKAJG-WBVHZDCISA-N 1 0 332.356 2.484 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000449662411 242590161 /nfs/dbraw/zinc/59/01/61/242590161.db2.gz LKWCCIVHTSMCQT-NSHDSACASA-N 1 0 331.344 2.044 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000238034724 242905347 /nfs/dbraw/zinc/90/53/47/242905347.db2.gz UPGGFJSIJFAHJX-UHFFFAOYSA-N 1 0 342.193 2.168 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000246338655 243233234 /nfs/dbraw/zinc/23/32/34/243233234.db2.gz KZFLMFSQIMOBBB-XJKSGUPXSA-N 1 0 335.404 2.467 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000451888785 243294395 /nfs/dbraw/zinc/29/43/95/243294395.db2.gz JLJKSVOJJPURDS-GFCCVEGCSA-N 1 0 331.376 2.491 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000456685020 244327377 /nfs/dbraw/zinc/32/73/77/244327377.db2.gz POTZGPFEJKUGGP-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO C[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262833034 245202094 /nfs/dbraw/zinc/20/20/94/245202094.db2.gz SGPMSPHPYBADGG-WFASDCNBSA-N 1 0 343.387 2.207 20 5 EEBDRO CCOc1cc(C[NH2+]C2(CO)CCSCC2)ccc1[N+](=O)[O-] ZINC000459685893 245208931 /nfs/dbraw/zinc/20/89/31/245208931.db2.gz AHCURRDHEQAEQZ-UHFFFAOYSA-N 1 0 326.418 2.341 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760346 245241069 /nfs/dbraw/zinc/24/10/69/245241069.db2.gz MHPZZEYFQRIMEY-JKSUJKDBSA-N 1 0 345.399 2.031 20 5 EEBDRO CCOC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713923 245222278 /nfs/dbraw/zinc/22/22/78/245222278.db2.gz OFFRFKCSEZTFBG-GJZGRUSLSA-N 1 0 338.404 2.226 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264062782 246029659 /nfs/dbraw/zinc/02/96/59/246029659.db2.gz AKWFVIOFYVODFC-OAHLLOKOSA-N 1 0 330.388 2.102 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491842221 246176456 /nfs/dbraw/zinc/17/64/56/246176456.db2.gz GLFXIYLWWJSOOH-SQWULWQPSA-N 1 0 333.363 2.442 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492124261 246312544 /nfs/dbraw/zinc/31/25/44/246312544.db2.gz HUQOWKBBFCWBAO-GMILVAEPSA-N 1 0 333.363 2.346 20 5 EEBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000264307354 246327140 /nfs/dbraw/zinc/32/71/40/246327140.db2.gz MWOWJIVRYJWHFM-UHFFFAOYSA-N 1 0 330.388 2.435 20 5 EEBDRO C[C@H](CCO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000093303513 218212535 /nfs/dbraw/zinc/21/25/35/218212535.db2.gz MGINKPHYBGJIPJ-OAHLLOKOSA-N 1 0 345.399 2.030 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434372 218226315 /nfs/dbraw/zinc/22/63/15/218226315.db2.gz WSPKPHWSIUZHFU-VIFPVBQESA-N 1 0 329.198 2.318 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccccc2)[C@H]2CCOC2)n1 ZINC000177148709 285167914 /nfs/dbraw/zinc/16/79/14/285167914.db2.gz GLOUXQGWGZTQBG-INIZCTEOSA-N 1 0 330.388 2.125 20 5 EEBDRO COCCCOC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357756 224242643 /nfs/dbraw/zinc/24/26/43/224242643.db2.gz OKPRZRRWFLESJD-KRWDZBQOSA-N 1 0 338.404 2.146 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000270611384 256153342 /nfs/dbraw/zinc/15/33/42/256153342.db2.gz ZFQOBKDHOFMYPQ-CQSZACIVSA-N 1 0 331.347 2.385 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC ZINC000271185927 256217646 /nfs/dbraw/zinc/21/76/46/256217646.db2.gz WPWWTMXJYJIMSH-LBPRGKRZSA-N 1 0 346.474 2.490 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273366073 256290224 /nfs/dbraw/zinc/29/02/24/256290224.db2.gz KHDFEGWVIZORPP-LBPRGKRZSA-N 1 0 331.376 2.316 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000273517938 256303122 /nfs/dbraw/zinc/30/31/22/256303122.db2.gz XYYPLLYZVQFKIN-AWEZNQCLSA-N 1 0 342.396 2.293 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014979 256346124 /nfs/dbraw/zinc/34/61/24/256346124.db2.gz MBVKOZHEGLBEOZ-IJLUTSLNSA-N 1 0 337.376 2.099 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425370736 533407574 /nfs/dbraw/zinc/40/75/74/533407574.db2.gz JVXLHWWDXGWYNR-GXDHUFHOSA-N 1 0 344.415 2.488 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356822095 141030856 /nfs/dbraw/zinc/03/08/56/141030856.db2.gz LLSSQMVDSSPHCF-CHWSQXEVSA-N 1 0 349.435 2.169 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000428879835 292174292 /nfs/dbraw/zinc/17/42/92/292174292.db2.gz DWEIZMKAKRQYNJ-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377162880 154068078 /nfs/dbraw/zinc/06/80/78/154068078.db2.gz ODSJTIBMOFPDRP-MRXNPFEDSA-N 1 0 346.431 2.014 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081335138 159150804 /nfs/dbraw/zinc/15/08/04/159150804.db2.gz FXVCBKWGZJPFGS-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000089935881 159189201 /nfs/dbraw/zinc/18/92/01/159189201.db2.gz QJTOWTWVNBDUOP-GFCCVEGCSA-N 1 0 337.401 2.330 20 5 EEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829099 160253085 /nfs/dbraw/zinc/25/30/85/160253085.db2.gz GBDUSUFFBYCNEE-WMLDXEAASA-N 1 0 344.415 2.316 20 5 EEBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000246138085 160263782 /nfs/dbraw/zinc/26/37/82/160263782.db2.gz DMMNEQLJZINYNA-LSDHHAIUSA-N 1 0 348.447 2.268 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247571355 160329451 /nfs/dbraw/zinc/32/94/51/160329451.db2.gz RUMXVGRPRGUYNI-UKRRQHHQSA-N 1 0 326.418 2.162 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000248068834 160337420 /nfs/dbraw/zinc/33/74/20/160337420.db2.gz FPMSRBCSGOUIIT-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CC(=O)c1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000342214865 161048223 /nfs/dbraw/zinc/04/82/23/161048223.db2.gz YUWSOYAAFWLAJM-HNNXBMFYSA-N 1 0 335.404 2.302 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000342295011 161054280 /nfs/dbraw/zinc/05/42/80/161054280.db2.gz PBWQWAPZRWWIOG-CYBMUJFWSA-N 1 0 348.403 2.453 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC[N@@H+]1C ZINC000343575270 161148014 /nfs/dbraw/zinc/14/80/14/161148014.db2.gz WSXBAMIZZIJFAP-BXKDBHETSA-N 1 0 343.330 2.409 20 5 EEBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000344359078 161220340 /nfs/dbraw/zinc/22/03/40/161220340.db2.gz XLYHLMFAUNPEHZ-UONOGXRCSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000345017024 161264166 /nfs/dbraw/zinc/26/41/66/161264166.db2.gz RMLTUFFUZLXRCH-KBPBESRZSA-N 1 0 335.404 2.271 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000345044811 161266331 /nfs/dbraw/zinc/26/63/31/161266331.db2.gz RCVAIUXHTAEIOG-GHXNOFRVSA-N 1 0 326.356 2.282 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000346405413 161369539 /nfs/dbraw/zinc/36/95/39/161369539.db2.gz ZGYATOUEIBDSQJ-HNNXBMFYSA-N 1 0 330.388 2.274 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440706 162136952 /nfs/dbraw/zinc/13/69/52/162136952.db2.gz YWKYTYBYKLTDLM-HUUCEWRRSA-N 1 0 340.383 2.127 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)C3CCCC3)o2)cc1 ZINC000352708477 162253016 /nfs/dbraw/zinc/25/30/16/162253016.db2.gz WNPLJKAVOOZCGH-CQSZACIVSA-N 1 0 332.360 2.286 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1csc([N+](=O)[O-])c1 ZINC000355226939 163115760 /nfs/dbraw/zinc/11/57/60/163115760.db2.gz ULHNQFPVLZEGCI-MCIONIFRSA-N 1 0 325.434 2.340 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000356151099 163351140 /nfs/dbraw/zinc/35/11/40/163351140.db2.gz XKJIILBVWMUARZ-UHFFFAOYSA-N 1 0 349.435 2.247 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000360613823 164350813 /nfs/dbraw/zinc/35/08/13/164350813.db2.gz VPJWVZVIVCRWAJ-GDBMZVCRSA-N 1 0 336.436 2.445 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000369025777 166172552 /nfs/dbraw/zinc/17/25/52/166172552.db2.gz FQYBARQNIXUVDY-HZPDHXFCSA-N 1 0 339.823 2.279 20 5 EEBDRO C[C@H]1COCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374356088 167024434 /nfs/dbraw/zinc/02/44/34/167024434.db2.gz HHWODQQJUKAZBE-SNVBAGLBSA-N 1 0 327.768 2.155 20 5 EEBDRO CCN(CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000121551598 221873006 /nfs/dbraw/zinc/87/30/06/221873006.db2.gz IQFAXPWKPQSYMV-CYBMUJFWSA-N 1 0 343.449 2.225 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000123801423 222334209 /nfs/dbraw/zinc/33/42/09/222334209.db2.gz XCTCWCAEWQHMIV-OAHLLOKOSA-N 1 0 349.412 2.136 20 5 EEBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277747030 269177674 /nfs/dbraw/zinc/17/76/74/269177674.db2.gz LGARAXILUMSGAL-KRWDZBQOSA-N 1 0 335.404 2.185 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000278934025 269252454 /nfs/dbraw/zinc/25/24/54/269252454.db2.gz XUCQEFHJQZCZLB-KMCQBPLKSA-N 1 0 334.416 2.436 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281531451 269430945 /nfs/dbraw/zinc/43/09/45/269430945.db2.gz WMTXKLUKVLLRMP-OAHLLOKOSA-N 1 0 349.431 2.472 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000247345928 274097619 /nfs/dbraw/zinc/09/76/19/274097619.db2.gz UMSWOCAQFNYZRG-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000271846489 274158950 /nfs/dbraw/zinc/15/89/50/274158950.db2.gz VQNXYQVCEUUMGA-BBRMVZONSA-N 1 0 332.404 2.108 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000272092444 274165068 /nfs/dbraw/zinc/16/50/68/274165068.db2.gz YGUWURBDPUCAGD-UKRRQHHQSA-N 1 0 325.434 2.081 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264627285 274203090 /nfs/dbraw/zinc/20/30/90/274203090.db2.gz SVDSVBBHRVSAKT-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCC1 ZINC000087134320 274221476 /nfs/dbraw/zinc/22/14/76/274221476.db2.gz VXLCSIADTPVJRX-AWEZNQCLSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1cnc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)s1 ZINC000277558704 274309197 /nfs/dbraw/zinc/30/91/97/274309197.db2.gz WYOYGNAPMGQLKI-UHFFFAOYSA-N 1 0 348.428 2.401 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970290 274315218 /nfs/dbraw/zinc/31/52/18/274315218.db2.gz YOYKVOBQFOVYGY-BETUJISGSA-N 1 0 333.388 2.189 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278274759 274342681 /nfs/dbraw/zinc/34/26/81/274342681.db2.gz FSBTUTGQRQMBEK-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO CCc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278740099 274397635 /nfs/dbraw/zinc/39/76/35/274397635.db2.gz WPONWURWVYTZPM-AWEZNQCLSA-N 1 0 349.431 2.388 20 5 EEBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743067 274398093 /nfs/dbraw/zinc/39/80/93/274398093.db2.gz VPDDRKRSCJCHJF-YVEFUNNKSA-N 1 0 332.356 2.484 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000285273115 274704061 /nfs/dbraw/zinc/70/40/61/274704061.db2.gz IUYLDAPHSGLOMK-UHFFFAOYSA-N 1 0 341.433 2.091 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000288469169 275061573 /nfs/dbraw/zinc/06/15/73/275061573.db2.gz QHYRCAATEBVFQN-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000289433701 275115695 /nfs/dbraw/zinc/11/56/95/275115695.db2.gz LDIGCWXJXWFYDM-HNNXBMFYSA-N 1 0 346.383 2.250 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000290472725 275210595 /nfs/dbraw/zinc/21/05/95/275210595.db2.gz DFWWFVGQPKCMTL-LLVKDONJSA-N 1 0 325.413 2.292 20 5 EEBDRO CCOc1cc(CN2CCC(F)(F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000291866531 275347843 /nfs/dbraw/zinc/34/78/43/275347843.db2.gz POJWYFZUEAXZNY-LBPRGKRZSA-N 1 0 330.331 2.443 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCC2)n1 ZINC000292747059 275473866 /nfs/dbraw/zinc/47/38/66/275473866.db2.gz JHNHVTLNWOCGPX-UHFFFAOYSA-N 1 0 336.392 2.454 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000044670853 276173733 /nfs/dbraw/zinc/17/37/33/276173733.db2.gz JSGBWOOEUYZDBE-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000375251561 280322932 /nfs/dbraw/zinc/32/29/32/280322932.db2.gz XEKWFZAHAUKEIC-UHFFFAOYSA-N 1 0 332.404 2.091 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000293568873 293241035 /nfs/dbraw/zinc/24/10/35/293241035.db2.gz CGKACAZHINUCLS-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000293845339 293308855 /nfs/dbraw/zinc/30/88/55/293308855.db2.gz FVWYJFIFRVVSEG-UHFFFAOYSA-N 1 0 349.387 2.319 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293884994 293318793 /nfs/dbraw/zinc/31/87/93/293318793.db2.gz DAJBNIVIOXNNCJ-OKILXGFUSA-N 1 0 346.431 2.360 20 5 EEBDRO C[C@@H](CCCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294849905 293560748 /nfs/dbraw/zinc/56/07/48/293560748.db2.gz RYAPUEVTVYAUET-XJKSGUPXSA-N 1 0 332.404 2.416 20 5 EEBDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536709 294002001 /nfs/dbraw/zinc/00/20/01/294002001.db2.gz SAWINLYTUKPPDE-WQGACYEGSA-N 1 0 332.404 2.438 20 5 EEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000296779731 294065908 /nfs/dbraw/zinc/06/59/08/294065908.db2.gz AXOKDLDOOFMXFO-UHFFFAOYSA-N 1 0 347.371 2.070 20 5 EEBDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000346719209 300914718 /nfs/dbraw/zinc/91/47/18/300914718.db2.gz KVDOYJFIVXNEIY-CQSZACIVSA-N 1 0 335.404 2.086 20 5 EEBDRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159604307 311343290 /nfs/dbraw/zinc/34/32/90/311343290.db2.gz PDGOLZOKGFDTEC-JQFCIGGWSA-N 1 0 329.400 2.400 20 5 EEBDRO COCC1(C)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331708966 311894161 /nfs/dbraw/zinc/89/41/61/311894161.db2.gz ZFIUORVVECBNDK-MRXNPFEDSA-N 1 0 347.415 2.449 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332374348 311997611 /nfs/dbraw/zinc/99/76/11/311997611.db2.gz CMSSLXNGHJRHNJ-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1cc(Cc2noc([C@H]3CC[N@H+](C)C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000350314538 312320978 /nfs/dbraw/zinc/32/09/78/312320978.db2.gz CIEAPVQFIQWVQI-JTQLQIEISA-N 1 0 348.359 2.005 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413181553 312813452 /nfs/dbraw/zinc/81/34/52/312813452.db2.gz ZZTZTKPROSPXKR-UHFFFAOYSA-N 1 0 344.400 2.407 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417931266 313655039 /nfs/dbraw/zinc/65/50/39/313655039.db2.gz BWYJKTJPNSUITC-HOTGVXAUSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000417990676 313680086 /nfs/dbraw/zinc/68/00/86/313680086.db2.gz MMBUCRXHHLVAMW-ZWNOBZJWSA-N 1 0 340.811 2.169 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418084774 313707916 /nfs/dbraw/zinc/70/79/16/313707916.db2.gz WHEDZMAKFGYNIH-ZNMIVQPWSA-N 1 0 332.404 2.172 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418329117 313784278 /nfs/dbraw/zinc/78/42/78/313784278.db2.gz AOPDFQHRDRDXMA-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025301 314029006 /nfs/dbraw/zinc/02/90/06/314029006.db2.gz YJHSHZXMXRFSTP-KGLIPLIRSA-N 1 0 335.404 2.406 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000425280583 314371646 /nfs/dbraw/zinc/37/16/46/314371646.db2.gz ODUUCSFRCVYHSZ-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444984068 315335879 /nfs/dbraw/zinc/33/58/79/315335879.db2.gz CWZHOTMZNGNKLD-LLVKDONJSA-N 1 0 348.407 2.001 20 5 EEBDRO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186355 315429302 /nfs/dbraw/zinc/42/93/02/315429302.db2.gz OTTNRWNVFZDMAT-TZMCWYRMSA-N 1 0 345.403 2.388 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493062164 315867347 /nfs/dbraw/zinc/86/73/47/315867347.db2.gz ZMTJHQQWTXZYFP-CHJXGEQHSA-N 1 0 333.363 2.333 20 5 EEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408269 315960441 /nfs/dbraw/zinc/96/04/41/315960441.db2.gz AZVQLZJUVTUAMU-ZFWWWQNUSA-N 1 0 341.795 2.327 20 5 EEBDRO C[C@@H]1CCN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000540802098 318078411 /nfs/dbraw/zinc/07/84/11/318078411.db2.gz DYFIUGCUMJXWNH-CQSZACIVSA-N 1 0 343.431 2.427 20 5 EEBDRO O=C(C[NH2+][C@H](CO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000541985031 318119708 /nfs/dbraw/zinc/11/97/08/318119708.db2.gz SPMCPGABPMDXCT-MRXNPFEDSA-N 1 0 347.415 2.015 20 5 EEBDRO COCCN1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000565270973 319167739 /nfs/dbraw/zinc/16/77/39/319167739.db2.gz PLXJVFMMFUPYIB-UHFFFAOYSA-N 1 0 346.431 2.319 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000568077139 319451922 /nfs/dbraw/zinc/45/19/22/319451922.db2.gz FQERHBAZYZUASF-CQSZACIVSA-N 1 0 339.392 2.105 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000571257590 319738028 /nfs/dbraw/zinc/73/80/28/319738028.db2.gz YUSGLULRHOGYBA-UHFFFAOYSA-N 1 0 335.404 2.374 20 5 EEBDRO COc1cc(C[NH2+]Cc2ccc3cnn(C)c3c2)c([N+](=O)[O-])cc1O ZINC000571937908 319800445 /nfs/dbraw/zinc/80/04/45/319800445.db2.gz PBOHNESOIQGIEN-UHFFFAOYSA-N 1 0 342.355 2.486 20 5 EEBDRO CN(C(=O)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000576094006 320140178 /nfs/dbraw/zinc/14/01/78/320140178.db2.gz ISOBBKLEQLLGFQ-SJORKVTESA-N 1 0 346.431 2.164 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000134208787 463015339 /nfs/dbraw/zinc/01/53/39/463015339.db2.gz UVHBIYLREUCBMN-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO COc1ccccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315858 465028874 /nfs/dbraw/zinc/02/88/74/465028874.db2.gz HUNQTOREYAZXNM-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO CS[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296042550 465060752 /nfs/dbraw/zinc/06/07/52/465060752.db2.gz AOLNORPMPGAMNT-NSHDSACASA-N 1 0 327.381 2.500 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000347592472 465111057 /nfs/dbraw/zinc/11/10/57/465111057.db2.gz NNBZOYJSYDSHHO-LSDHHAIUSA-N 1 0 343.431 2.423 20 5 EEBDRO CSC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341390063 465144302 /nfs/dbraw/zinc/14/43/02/465144302.db2.gz KQPPFTGHCARTKJ-IAQYHMDHSA-N 1 0 341.433 2.016 20 5 EEBDRO Cn1cc(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351516871 465195978 /nfs/dbraw/zinc/19/59/78/465195978.db2.gz KOWRJEOOBGVRLN-CABCVRRESA-N 1 0 332.408 2.231 20 5 EEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000339389458 465241547 /nfs/dbraw/zinc/24/15/47/465241547.db2.gz BYFCSXVUECHMQF-LBPRGKRZSA-N 1 0 343.347 2.271 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000568077138 468270657 /nfs/dbraw/zinc/27/06/57/468270657.db2.gz FQERHBAZYZUASF-AWEZNQCLSA-N 1 0 339.392 2.105 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000520826284 468273900 /nfs/dbraw/zinc/27/39/00/468273900.db2.gz KAVICUKZNSUJTL-CYBMUJFWSA-N 1 0 330.388 2.008 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552044248 468302956 /nfs/dbraw/zinc/30/29/56/468302956.db2.gz WUCXWXOGVZHQMA-WMLDXEAASA-N 1 0 343.431 2.349 20 5 EEBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000060380201 462545383 /nfs/dbraw/zinc/54/53/83/462545383.db2.gz WAMQWUHNIQZMIW-AWEZNQCLSA-N 1 0 348.447 2.483 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000060645023 462562005 /nfs/dbraw/zinc/56/20/05/462562005.db2.gz JUWQPDBKZKAUEZ-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000087034326 462584857 /nfs/dbraw/zinc/58/48/57/462584857.db2.gz ZXZSIMVWDKFXKY-GASCZTMLSA-N 1 0 349.431 2.143 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590688611 468306739 /nfs/dbraw/zinc/30/67/39/468306739.db2.gz WGEYUBJQIQCWAZ-SJORKVTESA-N 1 0 342.399 2.178 20 5 EEBDRO CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775105 462634002 /nfs/dbraw/zinc/63/40/02/462634002.db2.gz KVMKLQPUHQPNNF-OAHLLOKOSA-N 1 0 329.404 2.429 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000114400437 462643380 /nfs/dbraw/zinc/64/33/80/462643380.db2.gz UQJXIXNRPLITFN-LBPRGKRZSA-N 1 0 332.404 2.193 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000063738860 462668236 /nfs/dbraw/zinc/66/82/36/462668236.db2.gz RBUILVXAYIPYOA-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000154159752 462736607 /nfs/dbraw/zinc/73/66/07/462736607.db2.gz GDQJMBQMLHENKR-HUUCEWRRSA-N 1 0 349.434 2.493 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000075849164 462763534 /nfs/dbraw/zinc/76/35/34/462763534.db2.gz JVAWVUWDFKLBCC-LBPRGKRZSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000076023470 462788861 /nfs/dbraw/zinc/78/88/61/462788861.db2.gz KHYRJAZPBHOIBG-NSHDSACASA-N 1 0 343.449 2.387 20 5 EEBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000047978864 462844189 /nfs/dbraw/zinc/84/41/89/462844189.db2.gz GBPUTGBMOXFMBW-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO CC[N@H+](CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC000132750354 462876009 /nfs/dbraw/zinc/87/60/09/462876009.db2.gz GYOTVZKDLIGKJM-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO Nc1nc(NC2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000076711181 462901805 /nfs/dbraw/zinc/90/18/05/462901805.db2.gz OGWVFUDAHWSIJP-UHFFFAOYSA-N 1 0 342.403 2.086 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000067139707 462969127 /nfs/dbraw/zinc/96/91/27/462969127.db2.gz UXNXJIUWXIHJFG-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO C[NH2+]CCN(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000120291248 462982776 /nfs/dbraw/zinc/98/27/76/462982776.db2.gz JVFDOVZRVQDZHB-UHFFFAOYSA-N 1 0 348.325 2.093 20 5 EEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120382213 462993666 /nfs/dbraw/zinc/99/36/66/462993666.db2.gz HLKUZSIFQOBWDI-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000077841847 463061314 /nfs/dbraw/zinc/06/13/14/463061314.db2.gz GOZHCZWUEORHOW-AWEZNQCLSA-N 1 0 349.435 2.180 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000067909969 463066747 /nfs/dbraw/zinc/06/67/47/463066747.db2.gz JTOPPOLGKQCGPI-UHFFFAOYSA-N 1 0 349.431 2.479 20 5 EEBDRO COc1cc(N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000078293085 463101095 /nfs/dbraw/zinc/10/10/95/463101095.db2.gz QUXVKHDTTMRRFM-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026161619 463152430 /nfs/dbraw/zinc/15/24/30/463152430.db2.gz QHWWHAUZLJPRGR-UHFFFAOYSA-N 1 0 349.387 2.199 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccncc1 ZINC000121574257 463160465 /nfs/dbraw/zinc/16/04/65/463160465.db2.gz ALAQFPNFBFZVDO-CYBMUJFWSA-N 1 0 328.372 2.491 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053575094 463176172 /nfs/dbraw/zinc/17/61/72/463176172.db2.gz FIUXYDKQMWEYIG-CYBMUJFWSA-N 1 0 334.420 2.488 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000079033795 463181972 /nfs/dbraw/zinc/18/19/72/463181972.db2.gz TXNCHLMLTXMPIX-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000028834980 463234686 /nfs/dbraw/zinc/23/46/86/463234686.db2.gz QJPOAHIFMIPICZ-AWEZNQCLSA-N 1 0 349.412 2.454 20 5 EEBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000069575473 463280391 /nfs/dbraw/zinc/28/03/91/463280391.db2.gz SJCGJMZLYAKZNF-CQSZACIVSA-N 1 0 335.404 2.089 20 5 EEBDRO COC(=O)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000143859839 463372002 /nfs/dbraw/zinc/37/20/02/463372002.db2.gz HBQVTNOIUSNIOQ-UHFFFAOYSA-N 1 0 337.376 2.054 20 5 EEBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000032737405 463391160 /nfs/dbraw/zinc/39/11/60/463391160.db2.gz JKWQOSOFXMDOPH-KBPBESRZSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C[NH+]1CCCCC1 ZINC000147710495 463395862 /nfs/dbraw/zinc/39/58/62/463395862.db2.gz KJKVVOLHPLUMDT-LBPRGKRZSA-N 1 0 349.387 2.175 20 5 EEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000150842699 463437795 /nfs/dbraw/zinc/43/77/95/463437795.db2.gz GUELVHFLFLELFJ-UHFFFAOYSA-N 1 0 342.355 2.008 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000162021777 463477009 /nfs/dbraw/zinc/47/70/09/463477009.db2.gz QVRXMOGLEZRDAC-HNNXBMFYSA-N 1 0 345.403 2.226 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125046998 463495519 /nfs/dbraw/zinc/49/55/19/463495519.db2.gz XBNJGHWRNNXORL-NXEZZACHSA-N 1 0 347.824 2.105 20 5 EEBDRO COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000072305026 463507010 /nfs/dbraw/zinc/50/70/10/463507010.db2.gz IEBYXWCQWHTMOH-UHFFFAOYSA-N 1 0 336.388 2.447 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898420 463561086 /nfs/dbraw/zinc/56/10/86/463561086.db2.gz IWJNOXZPPSEXMO-UHFFFAOYSA-N 1 0 333.388 2.344 20 5 EEBDRO O=C(CC[N@@H+]1CCC2(C1)CCOCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000072898531 463561814 /nfs/dbraw/zinc/56/18/14/463561814.db2.gz FJSZCYZJGCQPTD-UHFFFAOYSA-N 1 0 333.388 2.426 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000043126924 463622314 /nfs/dbraw/zinc/62/23/14/463622314.db2.gz WFULYUZLTPLZPL-UHFFFAOYSA-N 1 0 336.392 2.409 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151972737 463624230 /nfs/dbraw/zinc/62/42/30/463624230.db2.gz AQYLEYPJLOXBAM-RNCFNFMXSA-N 1 0 327.331 2.285 20 5 EEBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165089297 463639550 /nfs/dbraw/zinc/63/95/50/463639550.db2.gz XNYURZKUHFLJPX-DZGCQCFKSA-N 1 0 335.404 2.191 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000109759331 463649138 /nfs/dbraw/zinc/64/91/38/463649138.db2.gz VUQWPZPQAUEMFQ-OLZOCXBDSA-N 1 0 334.294 2.361 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177475590 463714969 /nfs/dbraw/zinc/71/49/69/463714969.db2.gz PBVXOYWMRBDWTL-KBPBESRZSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185135299 463760070 /nfs/dbraw/zinc/76/00/70/463760070.db2.gz LOAYGBWRSSPFOK-BVIHXZOGSA-N 1 0 335.429 2.271 20 5 EEBDRO CCOc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000276870555 463789020 /nfs/dbraw/zinc/78/90/20/463789020.db2.gz HODWFSXCMRRNRS-MRXNPFEDSA-N 1 0 349.431 2.148 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000177809656 463797136 /nfs/dbraw/zinc/79/71/36/463797136.db2.gz SDRWWQYWFIZLMQ-KGLIPLIRSA-N 1 0 333.388 2.302 20 5 EEBDRO CC(=O)c1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000287096687 463797617 /nfs/dbraw/zinc/79/76/17/463797617.db2.gz ZAEFWMBOXDMTOQ-ZDUSSCGKSA-N 1 0 334.420 2.235 20 5 EEBDRO O=C(CC[N@@H+](CCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283248499 463818289 /nfs/dbraw/zinc/81/82/89/463818289.db2.gz JSGIXZYEVYOHQP-UHFFFAOYSA-N 1 0 343.383 2.418 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269258556 463931223 /nfs/dbraw/zinc/93/12/23/463931223.db2.gz CQROPKUEXCBAIE-GDBMZVCRSA-N 1 0 330.388 2.274 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178681277 463942902 /nfs/dbraw/zinc/94/29/02/463942902.db2.gz KBBXBBVVFUYFME-WFASDCNBSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000568770089 468386207 /nfs/dbraw/zinc/38/62/07/468386207.db2.gz OXRJGWAESHIFCL-VXGBXAGGSA-N 1 0 331.372 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000171962960 463958155 /nfs/dbraw/zinc/95/81/55/463958155.db2.gz ARAPZXNFAFKJHG-AWEZNQCLSA-N 1 0 337.395 2.278 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000178765282 463967399 /nfs/dbraw/zinc/96/73/99/463967399.db2.gz IYLBUSJBVQBYCZ-AWEZNQCLSA-N 1 0 346.431 2.313 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269398007 463976746 /nfs/dbraw/zinc/97/67/46/463976746.db2.gz NFLYALHFSHGYNI-LBPRGKRZSA-N 1 0 337.424 2.436 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000172094012 463987052 /nfs/dbraw/zinc/98/70/52/463987052.db2.gz ZBYMOAPLDZPBFC-UHFFFAOYSA-N 1 0 349.435 2.217 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178845606 463991313 /nfs/dbraw/zinc/99/13/13/463991313.db2.gz FCJADHZOHOZCLH-SNVBAGLBSA-N 1 0 336.348 2.011 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972477 468388111 /nfs/dbraw/zinc/38/81/11/468388111.db2.gz YMFVXDCOANAWPC-DOMZBBRYSA-N 1 0 349.387 2.043 20 5 EEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000279654922 464121100 /nfs/dbraw/zinc/12/11/00/464121100.db2.gz JZUMTEKTUZGZDA-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO Cc1nn(C)c(NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000263714947 464164251 /nfs/dbraw/zinc/16/42/51/464164251.db2.gz NSSOXIOHPPPXPW-UHFFFAOYSA-N 1 0 333.392 2.189 20 5 EEBDRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292625545 464290525 /nfs/dbraw/zinc/29/05/25/464290525.db2.gz YFDUAYHOUVYWEZ-AWEZNQCLSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292625551 464290694 /nfs/dbraw/zinc/29/06/94/464290694.db2.gz YFDUAYHOUVYWEZ-CQSZACIVSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1cc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713272 464315445 /nfs/dbraw/zinc/31/54/45/464315445.db2.gz SWWOQUSEIDVOIV-LBPRGKRZSA-N 1 0 325.384 2.324 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000238065290 464427467 /nfs/dbraw/zinc/42/74/67/464427467.db2.gz VXCFIFWDSGKGNF-CQSZACIVSA-N 1 0 339.367 2.137 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCC[NH2+]1 ZINC000238151071 464435998 /nfs/dbraw/zinc/43/59/98/464435998.db2.gz XIVBBMDKMKPHNR-OAHLLOKOSA-N 1 0 349.434 2.413 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000281448061 464458495 /nfs/dbraw/zinc/45/84/95/464458495.db2.gz FBKQJKCXUZQNCL-GDBMZVCRSA-N 1 0 347.415 2.225 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294364098 464479384 /nfs/dbraw/zinc/47/93/84/464479384.db2.gz ZCHZLGWESDWBDB-GOSISDBHSA-N 1 0 346.431 2.341 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281514219 464487584 /nfs/dbraw/zinc/48/75/84/464487584.db2.gz VOPGXWVIJXQXDQ-OAHLLOKOSA-N 1 0 349.431 2.472 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272174615 464507475 /nfs/dbraw/zinc/50/74/75/464507475.db2.gz KFYYMTDVNMOAOK-NSHDSACASA-N 1 0 337.424 2.244 20 5 EEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272244520 464534456 /nfs/dbraw/zinc/53/44/56/464534456.db2.gz LCVDWHRPQZRJGZ-TZMCWYRMSA-N 1 0 342.403 2.290 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000281763722 464576749 /nfs/dbraw/zinc/57/67/49/464576749.db2.gz GIYJNHFLKJXONZ-UHFFFAOYSA-N 1 0 348.403 2.474 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+](C)C ZINC000272417422 464601419 /nfs/dbraw/zinc/60/14/19/464601419.db2.gz ZQYMUSMCPXKTCA-KBPBESRZSA-N 1 0 338.433 2.413 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272481575 464626358 /nfs/dbraw/zinc/62/63/58/464626358.db2.gz GROPDOHPVQFPAO-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246946843 464635605 /nfs/dbraw/zinc/63/56/05/464635605.db2.gz AQUVDBIJAALFJG-FUHWJXTLSA-N 1 0 346.431 2.414 20 5 EEBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294988112 464671803 /nfs/dbraw/zinc/67/18/03/464671803.db2.gz HHXXVZABJVVIJB-LBPRGKRZSA-N 1 0 333.388 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000295144192 464720906 /nfs/dbraw/zinc/72/09/06/464720906.db2.gz LJZPAEWWTNADSU-LLVKDONJSA-N 1 0 339.392 2.023 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000285895602 464734230 /nfs/dbraw/zinc/73/42/30/464734230.db2.gz KDEYTRZDLYAKGK-YOEHRIQHSA-N 1 0 349.431 2.289 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)C3CCCCC3)C2)nc1 ZINC000190878491 464738783 /nfs/dbraw/zinc/73/87/83/464738783.db2.gz MQPIDYZANFTPCS-HOCLYGCPSA-N 1 0 334.420 2.417 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176287774 464739513 /nfs/dbraw/zinc/73/95/13/464739513.db2.gz QYRMSEFWGZTANT-KRWDZBQOSA-N 1 0 343.431 2.388 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000282349375 464783919 /nfs/dbraw/zinc/78/39/19/464783919.db2.gz GZTXENYOQWOMIF-DLBZAZTESA-N 1 0 346.431 2.406 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1C ZINC000192027714 464852799 /nfs/dbraw/zinc/85/27/99/464852799.db2.gz IISCUSFMUQROOB-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC)cc1OC ZINC000266889408 464860119 /nfs/dbraw/zinc/86/01/19/464860119.db2.gz DDOPLSDIIQMTHJ-UHFFFAOYSA-N 1 0 334.376 2.331 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000176882789 464874653 /nfs/dbraw/zinc/87/46/53/464874653.db2.gz XEIAXGICYKRQHK-FEAKQIBJSA-N 1 0 335.404 2.081 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286484244 464934867 /nfs/dbraw/zinc/93/48/67/464934867.db2.gz RAOTUTDLVMQFPS-TZMCWYRMSA-N 1 0 332.404 2.017 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276523745 464965702 /nfs/dbraw/zinc/96/57/02/464965702.db2.gz GSIBGZJLLNSOBT-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184549841 464994328 /nfs/dbraw/zinc/99/43/28/464994328.db2.gz VVOSFQJQSKNTIY-AWEZNQCLSA-N 1 0 333.344 2.494 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000593907557 468428839 /nfs/dbraw/zinc/42/88/39/468428839.db2.gz XQHABSWILCKMOR-RYUDHWBXSA-N 1 0 345.403 2.004 20 5 EEBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000342471408 465323740 /nfs/dbraw/zinc/32/37/40/465323740.db2.gz JCZCQFASHVOABE-HIFRSBDPSA-N 1 0 336.411 2.196 20 5 EEBDRO CO[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359231834 465387965 /nfs/dbraw/zinc/38/79/65/465387965.db2.gz QOTOKKWHXQJOBI-UONOGXRCSA-N 1 0 349.431 2.471 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339619832 465392072 /nfs/dbraw/zinc/39/20/72/465392072.db2.gz YESUIMPSISGKJW-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@@H+](Cc1ccncc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298686501 465472397 /nfs/dbraw/zinc/47/23/97/465472397.db2.gz PIEQENICNTVBIU-HNNXBMFYSA-N 1 0 331.372 2.252 20 5 EEBDRO CC[N@@H+](Cc1ccncc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298707014 465478355 /nfs/dbraw/zinc/47/83/55/465478355.db2.gz YCHNEXFSKQYABA-INIZCTEOSA-N 1 0 331.372 2.252 20 5 EEBDRO Cn1nccc1[C@H]1OCC[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579303 465530612 /nfs/dbraw/zinc/53/06/12/465530612.db2.gz KFZNTNJAJMZVSB-KDOFPFPSSA-N 1 0 342.399 2.464 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC([NH+]4CCCCC4)C3)n2)cc1 ZINC000360115692 465536081 /nfs/dbraw/zinc/53/60/81/465536081.db2.gz NTNSEOYONSUUIZ-UHFFFAOYSA-N 1 0 343.387 3.074 20 5 EEBDRO CC[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279369 468437533 /nfs/dbraw/zinc/43/75/33/468437533.db2.gz RVEPWTZIMVKXCG-UHFFFAOYSA-N 1 0 332.307 2.317 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000353029194 465588055 /nfs/dbraw/zinc/58/80/55/465588055.db2.gz PIYXCFCRKARSKU-NSHDSACASA-N 1 0 343.330 2.485 20 5 EEBDRO Cc1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000337881528 465652378 /nfs/dbraw/zinc/65/23/78/465652378.db2.gz YNPOLWJLVLOTMN-UHFFFAOYSA-N 1 0 338.371 2.211 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344549752 465666456 /nfs/dbraw/zinc/66/64/56/465666456.db2.gz ORZGLHPLDPLLPK-IBGZPJMESA-N 1 0 341.411 2.321 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356973130 465669531 /nfs/dbraw/zinc/66/95/31/465669531.db2.gz IGCUHCDYTVYRGP-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330605583 465727815 /nfs/dbraw/zinc/72/78/15/465727815.db2.gz ZHPFEKWSRRETTF-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@@H+]1CCOC ZINC000361073787 465747239 /nfs/dbraw/zinc/74/72/39/465747239.db2.gz MTKXTGAECXQOEL-AWEZNQCLSA-N 1 0 339.440 2.057 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119415 465777512 /nfs/dbraw/zinc/77/75/12/465777512.db2.gz IQWMKRLTAMLGRW-ABAIWWIYSA-N 1 0 335.335 2.219 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000330782113 465801876 /nfs/dbraw/zinc/80/18/76/465801876.db2.gz GOLOBGQLWOJTDF-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000361282127 465883155 /nfs/dbraw/zinc/88/31/55/465883155.db2.gz PBPJTJTUHVSYHX-UHFFFAOYSA-N 1 0 329.360 2.176 20 5 EEBDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000353460679 465900382 /nfs/dbraw/zinc/90/03/82/465900382.db2.gz DMOQVJGQCMEAJV-UHFFFAOYSA-N 1 0 335.404 2.282 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301114808 465904523 /nfs/dbraw/zinc/90/45/23/465904523.db2.gz PDMKUSHVMJWOIS-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO CCn1cc(CN(CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000361352365 465929948 /nfs/dbraw/zinc/92/99/48/465929948.db2.gz PTTFRXRAIGTSQW-UHFFFAOYSA-N 1 0 338.795 2.459 20 5 EEBDRO CC[C@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000346210270 465994430 /nfs/dbraw/zinc/99/44/30/465994430.db2.gz ANJYDBLBNHTGCT-CQSZACIVSA-N 1 0 337.376 2.440 20 5 EEBDRO O=C(c1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591431160 468466867 /nfs/dbraw/zinc/46/68/67/468466867.db2.gz NZXRAFGYFSRVMO-KGLIPLIRSA-N 1 0 344.415 2.162 20 5 EEBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000357443634 466043741 /nfs/dbraw/zinc/04/37/41/466043741.db2.gz SCLIEYGBUQZICG-UHFFFAOYSA-N 1 0 330.388 2.002 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331393141 466062528 /nfs/dbraw/zinc/06/25/28/466062528.db2.gz KOKAOOBEHQLFCC-NSHDSACASA-N 1 0 335.408 2.188 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367059731 466101502 /nfs/dbraw/zinc/10/15/02/466101502.db2.gz JZCVHHKCHVHGRH-CVEARBPZSA-N 1 0 332.448 2.365 20 5 EEBDRO CC(C)(CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+]1CCCC1 ZINC000357925881 466323910 /nfs/dbraw/zinc/32/39/10/466323910.db2.gz CUXWPFJTWOHGJU-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)C[NH+]1CCCCCC1 ZINC000332047435 466360393 /nfs/dbraw/zinc/36/03/93/466360393.db2.gz WXMLUKKDKHWBJT-UHFFFAOYSA-N 1 0 349.435 2.299 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591581759 468487465 /nfs/dbraw/zinc/48/74/65/468487465.db2.gz QZKRXRZFMYSDHF-HOTGVXAUSA-N 1 0 341.415 2.149 20 5 EEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357992395 466371312 /nfs/dbraw/zinc/37/13/12/466371312.db2.gz VAHWPCOLLAQPSM-QWHCGFSZSA-N 1 0 334.420 2.316 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000363407577 466382894 /nfs/dbraw/zinc/38/28/94/466382894.db2.gz ACIGFQYBDCGSDZ-INIZCTEOSA-N 1 0 341.367 2.347 20 5 EEBDRO CC1CCC(O)(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000305227037 466384953 /nfs/dbraw/zinc/38/49/53/466384953.db2.gz KUQLNPXCUNNDAG-UUCFBXCCSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000597236097 468491153 /nfs/dbraw/zinc/49/11/53/468491153.db2.gz NVVPODRXNDQJNA-SCLBCKFNSA-N 1 0 344.415 2.446 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305794090 466466815 /nfs/dbraw/zinc/46/68/15/466466815.db2.gz DZAFSCDWNRLRPG-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000358150398 466495968 /nfs/dbraw/zinc/49/59/68/466495968.db2.gz MZYWVOXEIJOWDJ-RYUDHWBXSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332336415 466514157 /nfs/dbraw/zinc/51/41/57/466514157.db2.gz MEQGTUUUIVHLBS-QWRGUYRKSA-N 1 0 344.371 2.061 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000591679207 468502011 /nfs/dbraw/zinc/50/20/11/468502011.db2.gz MHUIULLTTMYWBV-UHFFFAOYSA-N 1 0 329.809 2.209 20 5 EEBDRO O=c1[nH]cnc2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000324340881 466645803 /nfs/dbraw/zinc/64/58/03/466645803.db2.gz YTZMZLJGRSHMAR-JTQLQIEISA-N 1 0 329.360 2.140 20 5 EEBDRO COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[NH2+]CC1 ZINC000415421783 466672305 /nfs/dbraw/zinc/67/23/05/466672305.db2.gz VQIQUEIVRYTJKJ-UHFFFAOYSA-N 1 0 336.392 2.041 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365315439 466777408 /nfs/dbraw/zinc/77/74/08/466777408.db2.gz JHBOZSNVNUWJRN-KGLIPLIRSA-N 1 0 333.388 2.107 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000417237628 466811826 /nfs/dbraw/zinc/81/18/26/466811826.db2.gz XBSLZMLIUPMCRS-MRXNPFEDSA-N 1 0 334.420 2.344 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)C[NH+]1CCCC1)CCCC2 ZINC000417306840 466828113 /nfs/dbraw/zinc/82/81/13/466828113.db2.gz AXYCOTGEPVRIHG-AEFFLSMTSA-N 1 0 333.432 2.409 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411722795 466886209 /nfs/dbraw/zinc/88/62/09/466886209.db2.gz RPCVKBTUYOUJQQ-OKILXGFUSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411723430 466887960 /nfs/dbraw/zinc/88/79/60/466887960.db2.gz BXQOYBKOQYCJOQ-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000417715305 466916216 /nfs/dbraw/zinc/91/62/16/466916216.db2.gz JSSUMTNMRKSWKN-KGLIPLIRSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000412047683 466980799 /nfs/dbraw/zinc/98/07/99/466980799.db2.gz PCYDSKFSHBALFO-ZNMIVQPWSA-N 1 0 347.415 2.325 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412087106 467003250 /nfs/dbraw/zinc/00/32/50/467003250.db2.gz OXFNCHLELNBLLI-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413108205 467170972 /nfs/dbraw/zinc/17/09/72/467170972.db2.gz DLNWIHZTQMIAFM-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451430556 467256581 /nfs/dbraw/zinc/25/65/81/467256581.db2.gz XZFPTTFOROLVJZ-SQWLQELKSA-N 1 0 347.415 2.467 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000420335598 467363898 /nfs/dbraw/zinc/36/38/98/467363898.db2.gz LSYLKVLQPKLJRK-ZYHUDNBSSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000414141575 467382773 /nfs/dbraw/zinc/38/27/73/467382773.db2.gz JUXCHIZYEICBGU-HOTGVXAUSA-N 1 0 336.436 2.443 20 5 EEBDRO COc1cc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420376834 467385160 /nfs/dbraw/zinc/38/51/60/467385160.db2.gz AOOFCIAODBFQRG-NXEZZACHSA-N 1 0 345.346 2.387 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000420403590 467396191 /nfs/dbraw/zinc/39/61/91/467396191.db2.gz LNBXETOGMPARHD-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([NH2+]CC2CC2)CC1 ZINC000430546582 467437367 /nfs/dbraw/zinc/43/73/67/467437367.db2.gz DERVFNXQXBDNKH-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000435376399 467464218 /nfs/dbraw/zinc/46/42/18/467464218.db2.gz ZNAHABGALRNBRV-LBPRGKRZSA-N 1 0 333.413 2.483 20 5 EEBDRO C[NH2+]C1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000430915757 467475053 /nfs/dbraw/zinc/47/50/53/467475053.db2.gz DYHJPWRWJCTWBW-UHFFFAOYSA-N 1 0 345.346 2.389 20 5 EEBDRO CCOc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000453572753 467497550 /nfs/dbraw/zinc/49/75/50/467497550.db2.gz FUVPJZNYIKETEE-UHFFFAOYSA-N 1 0 343.387 2.106 20 5 EEBDRO CC[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000449151173 467620752 /nfs/dbraw/zinc/62/07/52/467620752.db2.gz WJOLEWUSSXMMMV-AVVWSFFYSA-N 1 0 335.404 2.449 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449399233 467639293 /nfs/dbraw/zinc/63/92/93/467639293.db2.gz YVFMATRACFNBMY-RDJZCZTQSA-N 1 0 335.448 2.352 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449650854 467677026 /nfs/dbraw/zinc/67/70/26/467677026.db2.gz UYXSLHCTZKCCLZ-CMPLNLGQSA-N 1 0 325.796 2.424 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457940028 467734579 /nfs/dbraw/zinc/73/45/79/467734579.db2.gz HAGNQKLTXDKLQS-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493025823 467822526 /nfs/dbraw/zinc/82/25/26/467822526.db2.gz PCVJZUGIJNIASX-XQRVVYSFSA-N 1 0 347.350 2.144 20 5 EEBDRO Cc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450485954 467857316 /nfs/dbraw/zinc/85/73/16/467857316.db2.gz AOBBXVWOKTXFTG-HNNXBMFYSA-N 1 0 327.388 2.627 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccnc21 ZINC000450793948 467908772 /nfs/dbraw/zinc/90/87/72/467908772.db2.gz QVNRYUAJSYFZIH-BETUJISGSA-N 1 0 328.372 2.418 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000531262707 468040107 /nfs/dbraw/zinc/04/01/07/468040107.db2.gz VDRGLFLREWSPSH-CQSZACIVSA-N 1 0 346.431 2.393 20 5 EEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283036 468042216 /nfs/dbraw/zinc/04/22/16/468042216.db2.gz SEIYFAGHUSSHSO-YMTOWFKASA-N 1 0 327.768 2.344 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517080163 468070430 /nfs/dbraw/zinc/07/04/30/468070430.db2.gz LONPAKVMLGQDQQ-LBPRGKRZSA-N 1 0 331.376 2.027 20 5 EEBDRO C[NH+](C)C[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000567114845 468164924 /nfs/dbraw/zinc/16/49/24/468164924.db2.gz ADFYALRIGXBEAQ-LBPRGKRZSA-N 1 0 335.795 2.796 20 5 EEBDRO COc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594195743 468508928 /nfs/dbraw/zinc/50/89/28/468508928.db2.gz IOVRLAUNMJFFON-KBPBESRZSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000591764381 468517533 /nfs/dbraw/zinc/51/75/33/468517533.db2.gz HHUBKICSPRABBH-NEPJUHHUSA-N 1 0 330.331 2.360 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000597442853 468557223 /nfs/dbraw/zinc/55/72/23/468557223.db2.gz YYFJPVOXGXRMNB-DOMZBBRYSA-N 1 0 332.404 2.406 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000570081520 468587751 /nfs/dbraw/zinc/58/77/51/468587751.db2.gz CKZHJNAGYZYAQX-LLVKDONJSA-N 1 0 345.186 2.249 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582831780 468601546 /nfs/dbraw/zinc/60/15/46/468601546.db2.gz GSEJFRNJCIUCQV-YESZJQIVSA-N 1 0 329.400 2.395 20 5 EEBDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594498991 468608854 /nfs/dbraw/zinc/60/88/54/468608854.db2.gz XPLGSYQFKPNGCH-UHFFFAOYSA-N 1 0 340.387 2.384 20 5 EEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000570394652 468633349 /nfs/dbraw/zinc/63/33/49/468633349.db2.gz GULAFONVZKUHLP-OCCSQVGLSA-N 1 0 349.435 2.027 20 5 EEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357194 468682588 /nfs/dbraw/zinc/68/25/88/468682588.db2.gz UMZDCQMWTIQZRW-UWVGGRQHSA-N 1 0 335.368 2.007 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+](C)C ZINC000597991622 468732904 /nfs/dbraw/zinc/73/29/04/468732904.db2.gz FYMTVZOBYKJFNJ-NSHDSACASA-N 1 0 331.376 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000601113505 468746036 /nfs/dbraw/zinc/74/60/36/468746036.db2.gz HKFXVKFAAOZCQQ-ROUUACIJSA-N 1 0 342.399 2.178 20 5 EEBDRO Cn1c(Sc2ccsc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000601118656 468749025 /nfs/dbraw/zinc/74/90/25/468749025.db2.gz PBDXIJYXJNPNCQ-QMMMGPOBSA-N 1 0 325.419 2.403 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000601131400 468754954 /nfs/dbraw/zinc/75/49/54/468754954.db2.gz JPYACCBADOYKMY-AWEZNQCLSA-N 1 0 328.372 2.054 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595228720 468788968 /nfs/dbraw/zinc/78/89/68/468788968.db2.gz INPHMSXEZNENHZ-KCJUWKMLSA-N 1 0 331.294 2.423 20 5 EEBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593059984 468857072 /nfs/dbraw/zinc/85/70/72/468857072.db2.gz UNWSLRQEMLKULA-ZIAGYGMSSA-N 1 0 338.404 2.224 20 5 EEBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000595450514 468857427 /nfs/dbraw/zinc/85/74/27/468857427.db2.gz OCKAPSOPLBSICR-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000595454246 468859512 /nfs/dbraw/zinc/85/95/12/468859512.db2.gz FSZKXCCETJGIKX-JKSUJKDBSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572112337 468887506 /nfs/dbraw/zinc/88/75/06/468887506.db2.gz DHPFRCHVTLMLGW-XJKSGUPXSA-N 1 0 346.383 2.261 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000562529117 468979270 /nfs/dbraw/zinc/97/92/70/468979270.db2.gz PNDCJQRTRFQBON-ZDUSSCGKSA-N 1 0 333.388 2.016 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602668800 468999400 /nfs/dbraw/zinc/99/94/00/468999400.db2.gz WWEOBKAXTIDPCX-SJORKVTESA-N 1 0 334.416 2.437 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610577038 469008449 /nfs/dbraw/zinc/00/84/49/469008449.db2.gz ZKKPYVORFFCIFB-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H]1CC1(C)C ZINC000595913744 469081346 /nfs/dbraw/zinc/08/13/46/469081346.db2.gz URFYNIVFOCQNFS-SNVBAGLBSA-N 1 0 335.360 2.240 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000602797655 469082556 /nfs/dbraw/zinc/08/25/56/469082556.db2.gz NPEUSLGDMKTSKT-GOEBONIOSA-N 1 0 333.436 2.048 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595983509 469106747 /nfs/dbraw/zinc/10/67/47/469106747.db2.gz PQAUQXNCKORPBO-IHRRRGAJSA-N 1 0 348.447 2.415 20 5 EEBDRO C[C@]1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]C1 ZINC000595991788 469108999 /nfs/dbraw/zinc/10/89/99/469108999.db2.gz KQSGEKUTTDPOMR-HNNXBMFYSA-N 1 0 332.385 2.200 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000596000707 469111598 /nfs/dbraw/zinc/11/15/98/469111598.db2.gz NQTVNCHRIRMUAJ-SECBINFHSA-N 1 0 325.674 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593728940 469111887 /nfs/dbraw/zinc/11/18/87/469111887.db2.gz AZEMOZKQRIZFMN-CJNGLKHVSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733367 469114150 /nfs/dbraw/zinc/11/41/50/469114150.db2.gz MAHXAYQZCPKJLO-GXTWGEPZSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611252778 469209815 /nfs/dbraw/zinc/20/98/15/469209815.db2.gz LSOWKOMYKMJTNU-ZVVFDCPKSA-N 1 0 331.416 2.405 20 5 EEBDRO Nc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596223670 469211395 /nfs/dbraw/zinc/21/13/95/469211395.db2.gz QPTUKZMLFSMRLJ-GASCZTMLSA-N 1 0 339.399 2.140 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000596251731 469221895 /nfs/dbraw/zinc/22/18/95/469221895.db2.gz XSRFSIJQDYIPST-UHFFFAOYSA-N 1 0 344.415 2.472 20 5 EEBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602423806 469310543 /nfs/dbraw/zinc/31/05/43/469310543.db2.gz HMELRQFEKYWQBI-SNVBAGLBSA-N 1 0 331.294 2.311 20 5 EEBDRO C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599628229 469315830 /nfs/dbraw/zinc/31/58/30/469315830.db2.gz QWIHYKMCCPRXSR-NWDGAFQWSA-N 1 0 330.331 2.454 20 5 EEBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000602440910 469316760 /nfs/dbraw/zinc/31/67/60/469316760.db2.gz MTFPXJXXHUEQKJ-MRXNPFEDSA-N 1 0 341.367 2.063 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603243310 469321385 /nfs/dbraw/zinc/32/13/85/469321385.db2.gz KCDITGGFSQYTON-UHFFFAOYSA-N 1 0 345.403 2.272 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOCC3CC3)CC2)cn1 ZINC000602509122 469343701 /nfs/dbraw/zinc/34/37/01/469343701.db2.gz BNWUKLYFUFKRGV-UHFFFAOYSA-N 1 0 334.420 2.365 20 5 EEBDRO Cc1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000603423288 469390420 /nfs/dbraw/zinc/39/04/20/469390420.db2.gz NUZFJJUYPQGMCL-INIZCTEOSA-N 1 0 348.447 2.112 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000618920893 469471894 /nfs/dbraw/zinc/47/18/94/469471894.db2.gz INEXIAABDBFSNN-GFCCVEGCSA-N 1 0 335.429 2.240 20 5 EEBDRO CC(C)(C)n1ncnc1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619715636 469668538 /nfs/dbraw/zinc/66/85/38/469668538.db2.gz CHQNWIVLFPRTNW-UHFFFAOYSA-N 1 0 347.375 2.002 20 5 EEBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000619787921 469682316 /nfs/dbraw/zinc/68/23/16/469682316.db2.gz ZSOHFWLSRXKKFC-HNNXBMFYSA-N 1 0 343.387 2.275 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609386591 469924522 /nfs/dbraw/zinc/92/45/22/469924522.db2.gz XXSZUQUKSUMOTI-HIFRSBDPSA-N 1 0 334.420 2.384 20 5 EEBDRO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064478 469977167 /nfs/dbraw/zinc/97/71/67/469977167.db2.gz UBLGSBGWMQVROC-HNNXBMFYSA-N 1 0 331.416 2.473 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610069421 469977866 /nfs/dbraw/zinc/97/78/66/469977866.db2.gz IHCKYVVEADHGJU-ZDUSSCGKSA-N 1 0 332.404 2.194 20 5 EEBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595830632 485610715 /nfs/dbraw/zinc/61/07/15/485610715.db2.gz GKOGOQMYLSOJEB-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602538249 485641496 /nfs/dbraw/zinc/64/14/96/485641496.db2.gz BPNKWGFNJKFARD-JQWIXIFHSA-N 1 0 331.294 2.194 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424075 528607379 /nfs/dbraw/zinc/60/73/79/528607379.db2.gz MTOFKXCGFRGSSO-LRDDRELGSA-N 1 0 326.393 2.432 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000236744580 535036368 /nfs/dbraw/zinc/03/63/68/535036368.db2.gz SVUFATPAJYOOLL-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO CC[N@H+](CC(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726585639 576277729 /nfs/dbraw/zinc/27/77/29/576277729.db2.gz HQGUFSRKHCNZQZ-UHFFFAOYSA-N 1 0 334.376 2.299 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000728605457 576509283 /nfs/dbraw/zinc/50/92/83/576509283.db2.gz CQNNPFQZAPSPAA-LBPRGKRZSA-N 1 0 336.348 2.106 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)sc2c1 ZINC000731209926 577086439 /nfs/dbraw/zinc/08/64/39/577086439.db2.gz FECKPYBFHIHZFR-KGLIPLIRSA-N 1 0 348.428 2.240 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000768806123 577562907 /nfs/dbraw/zinc/56/29/07/577562907.db2.gz WVOWRACGPFAMKX-QWRGUYRKSA-N 1 0 347.462 2.198 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939859 577587491 /nfs/dbraw/zinc/58/74/91/577587491.db2.gz AYWUSOIEBINAAH-RDJZCZTQSA-N 1 0 344.415 2.316 20 5 EEBDRO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCSC1 ZINC000764568591 577738989 /nfs/dbraw/zinc/73/89/89/577738989.db2.gz LWEGASCZVPZNEQ-GFCCVEGCSA-N 1 0 343.836 2.302 20 5 EEBDRO CCOC[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000748095163 577954981 /nfs/dbraw/zinc/95/49/81/577954981.db2.gz QTCJIBBPLRKZCZ-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1nn(C[N@@H+]2CCCC3(CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749956621 577984754 /nfs/dbraw/zinc/98/47/54/577984754.db2.gz YCFJMINBZKEICI-UHFFFAOYSA-N 1 0 345.403 2.498 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000741723720 578123032 /nfs/dbraw/zinc/12/30/32/578123032.db2.gz ZAMIVCCFCIPNAM-KGLIPLIRSA-N 1 0 346.431 2.408 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736568404 578212112 /nfs/dbraw/zinc/21/21/12/578212112.db2.gz BJUASWCYINPYKE-VXGBXAGGSA-N 1 0 345.407 2.084 20 5 EEBDRO CCc1ncoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020568610 675161125 /nfs/dbraw/zinc/16/11/25/675161125.db2.gz WDIBWUFUCGCKES-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC(C)(C)C3)c2)CC1 ZINC000934042483 677767054 /nfs/dbraw/zinc/76/70/54/677767054.db2.gz ZXZYBBQNZLLZOZ-UHFFFAOYSA-N 1 0 347.419 2.220 20 5 EEBDRO O=C(NCC1C[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262021679 682874229 /nfs/dbraw/zinc/87/42/29/682874229.db2.gz MIRQBONKKKWGMZ-UHFFFAOYSA-N 1 0 340.383 2.156 20 5 EEBDRO C[C@@]1(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[NH+]2CCC1CC2 ZINC000892775857 683030458 /nfs/dbraw/zinc/03/04/58/683030458.db2.gz IVOIOJCXXPIHFH-OAHLLOKOSA-N 1 0 325.315 2.087 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892774418 683033998 /nfs/dbraw/zinc/03/39/98/683033998.db2.gz LRCDOMSCLGXIPF-GFCCVEGCSA-N 1 0 349.391 2.068 20 5 EEBDRO Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025671076 683230563 /nfs/dbraw/zinc/23/05/63/683230563.db2.gz MPTKVNDRIRDTFF-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1(F)CCCC1 ZINC001025838319 683338095 /nfs/dbraw/zinc/33/80/95/683338095.db2.gz SQXWYGYUSCYILL-ZSHCYNCHSA-N 1 0 347.390 2.424 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000179003764 683937332 /nfs/dbraw/zinc/93/73/32/683937332.db2.gz ICFXPYRFWJJDCJ-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000895272535 684421301 /nfs/dbraw/zinc/42/13/01/684421301.db2.gz GOAWBRBYLXZBRD-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000895280098 684433123 /nfs/dbraw/zinc/43/31/23/684433123.db2.gz ZOTLFGJOEXSBOJ-CQSZACIVSA-N 1 0 340.383 2.270 20 5 EEBDRO COc1cc(Cc2noc(C3(C[NH+](C)C)CC3)n2)ccc1[N+](=O)[O-] ZINC000923950131 694013035 /nfs/dbraw/zinc/01/30/35/694013035.db2.gz OWFNRYRKVPADHP-UHFFFAOYSA-N 1 0 332.360 2.170 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000262732104 688236941 /nfs/dbraw/zinc/23/69/41/688236941.db2.gz DNDPZKZJSNUSQY-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000898798761 693460825 /nfs/dbraw/zinc/46/08/25/693460825.db2.gz MMDFLTMABHMYMA-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO CN(C(=O)c1cn[nH]c1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005140512 1194525724 /nfs/dbraw/zinc/52/57/24/1194525724.db2.gz DMPRMVIHZDHRDK-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000810120482 1199303042 /nfs/dbraw/zinc/30/30/42/1199303042.db2.gz NIGVLEJKBWNKNC-JTQLQIEISA-N 1 0 335.451 2.055 20 5 EEBDRO COc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001134185035 1199376084 /nfs/dbraw/zinc/37/60/84/1199376084.db2.gz MOIHOAFDLARNLZ-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876784890 1199773126 /nfs/dbraw/zinc/77/31/26/1199773126.db2.gz NGIMOSZQOLOIRJ-MRXNPFEDSA-N 1 0 333.432 2.366 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000810847324 1199778478 /nfs/dbraw/zinc/77/84/78/1199778478.db2.gz MKTKQUFDECAJHY-RYUDHWBXSA-N 1 0 334.328 2.107 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289332 1199896131 /nfs/dbraw/zinc/89/61/31/1199896131.db2.gz RSJGFARJRWPAIO-GLQYFDAESA-N 1 0 335.429 2.428 20 5 EEBDRO C[N@@H+]1CC[C@@](O)(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811490931 1200084208 /nfs/dbraw/zinc/08/42/08/1200084208.db2.gz WFGOBGUQKNIIFJ-CYBMUJFWSA-N 1 0 334.203 2.058 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000812323036 1200639917 /nfs/dbraw/zinc/63/99/17/1200639917.db2.gz JTZRZUVUWDINET-YPMHNXCESA-N 1 0 329.356 2.365 20 5 EEBDRO CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133396168 1200854692 /nfs/dbraw/zinc/85/46/92/1200854692.db2.gz UIVINYRLOOULKE-HUUCEWRRSA-N 1 0 339.823 2.333 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880210114 1201422774 /nfs/dbraw/zinc/42/27/74/1201422774.db2.gz LVPGZWROEOACKE-MRXNPFEDSA-N 1 0 349.431 2.207 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(F)CC1 ZINC000880240488 1201432229 /nfs/dbraw/zinc/43/22/29/1201432229.db2.gz AZBRPVXIOCVVPR-UHFFFAOYSA-N 1 0 325.340 2.366 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](CF)C1 ZINC000880293973 1201448842 /nfs/dbraw/zinc/44/88/42/1201448842.db2.gz GKVFFYGZHQYGDH-WDEREUQCSA-N 1 0 325.340 2.222 20 5 EEBDRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])cc1C ZINC000866211932 1201467094 /nfs/dbraw/zinc/46/70/94/1201467094.db2.gz BFVAHKUULQKOJR-UHFFFAOYSA-N 1 0 348.447 2.128 20 5 EEBDRO C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000866268927 1201480937 /nfs/dbraw/zinc/48/09/37/1201480937.db2.gz LAMICQIRXGLXIL-ZIAGYGMSSA-N 1 0 339.411 2.223 20 5 EEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866341252 1201496225 /nfs/dbraw/zinc/49/62/25/1201496225.db2.gz LIJHIUCJTZCNGZ-FZMZJTMJSA-N 1 0 339.367 2.485 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000866358354 1201499934 /nfs/dbraw/zinc/49/99/34/1201499934.db2.gz XSCZERIYUBJVDA-VXGBXAGGSA-N 1 0 344.408 2.079 20 5 EEBDRO C[C@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000868072749 1201738635 /nfs/dbraw/zinc/73/86/35/1201738635.db2.gz DMTFQCUFNAAHHR-KRWDZBQOSA-N 1 0 332.404 2.148 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132414057 1202103109 /nfs/dbraw/zinc/10/31/09/1202103109.db2.gz ULHDSZDKQASMTQ-UHFFFAOYSA-N 1 0 338.364 2.191 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884062057 1202219719 /nfs/dbraw/zinc/21/97/19/1202219719.db2.gz FABIIWJNHLRMSZ-LBPRGKRZSA-N 1 0 325.796 2.452 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212841185 1204423723 /nfs/dbraw/zinc/42/37/23/1204423723.db2.gz DPQAOGAOJZPJER-UHFFFAOYSA-N 1 0 338.327 2.056 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095427819 1205737016 /nfs/dbraw/zinc/73/70/16/1205737016.db2.gz XBNUALYSSMHSIC-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095625418 1205895397 /nfs/dbraw/zinc/89/53/97/1205895397.db2.gz PKBFZZRBTYGHCU-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931040956 1206602158 /nfs/dbraw/zinc/60/21/58/1206602158.db2.gz ATLGOPGNANFJHH-CJNGLKHVSA-N 1 0 334.420 2.256 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963126 1206612166 /nfs/dbraw/zinc/61/21/66/1206612166.db2.gz HESQAQITUIDJFL-QGZVFWFLSA-N 1 0 344.371 2.301 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000931197345 1206614459 /nfs/dbraw/zinc/61/44/59/1206614459.db2.gz FGUCWSPMGUTQCO-GJZGRUSLSA-N 1 0 343.387 2.095 20 5 EEBDRO C[C@@H](COCC1CCCCC1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000932422301 1207602427 /nfs/dbraw/zinc/60/24/27/1207602427.db2.gz VSJMKQRWKKUTQN-AWEZNQCLSA-N 1 0 337.420 2.332 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933292099 1207754533 /nfs/dbraw/zinc/75/45/33/1207754533.db2.gz DDYJMKUWDHWIDL-BBWFWOEESA-N 1 0 331.416 2.497 20 5 EEBDRO CC(C)CC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001111310215 1210113178 /nfs/dbraw/zinc/11/31/78/1210113178.db2.gz RMBANEMDUYZCPJ-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420403315 1217546353 /nfs/dbraw/zinc/54/63/53/1217546353.db2.gz NDKXCRSNTGGEKH-OAHLLOKOSA-N 1 0 338.795 2.015 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(F)cc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963788964 1218040425 /nfs/dbraw/zinc/04/04/25/1218040425.db2.gz VJDIMEHUVFBIDB-YVXVDGILSA-N 1 0 347.390 2.008 20 5 EEBDRO CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699763 1231340135 /nfs/dbraw/zinc/34/01/35/1231340135.db2.gz FKWJGRSQDTVOLD-HUUCEWRRSA-N 1 0 337.464 2.402 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096110668 1234978292 /nfs/dbraw/zinc/97/82/92/1234978292.db2.gz KPYIAMOOIGMTMJ-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C/C=C(/C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048753399 1238525860 /nfs/dbraw/zinc/52/58/60/1238525860.db2.gz JJZIWCWIJLWWGU-BWEGZWNPSA-N 1 0 329.400 2.451 20 5 EEBDRO CCc1cccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001000672682 1240706032 /nfs/dbraw/zinc/70/60/32/1240706032.db2.gz ZIYUEOOZNOJTKH-QZTJIDSGSA-N 1 0 343.427 2.163 20 5 EEBDRO O=C(NCC1CC[NH+](CCC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400545 1242198107 /nfs/dbraw/zinc/19/81/07/1242198107.db2.gz UOTNHHZLYGIDEC-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC1 ZINC001050244690 1243175169 /nfs/dbraw/zinc/17/51/69/1243175169.db2.gz SKNJGKHMLLZSOQ-IAGOWNOFSA-N 1 0 331.416 2.200 20 5 EEBDRO CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541758 1245944720 /nfs/dbraw/zinc/94/47/20/1245944720.db2.gz UMKDHAIPKCZQHZ-HUUCEWRRSA-N 1 0 325.453 2.306 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000827495946 1248226095 /nfs/dbraw/zinc/22/60/95/1248226095.db2.gz ATLMGARCBPZIBC-LSDHHAIUSA-N 1 0 328.372 2.418 20 5 EEBDRO C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001110451828 1282248410 /nfs/dbraw/zinc/24/84/10/1282248410.db2.gz XIKYDWIEHRBUJK-CALCHBBNSA-N 1 0 346.431 2.116 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858588167 1294161287 /nfs/dbraw/zinc/16/12/87/1294161287.db2.gz WPCYFUQXZLLPDJ-GHMZBOCLSA-N 1 0 325.365 2.052 20 5 EEBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C2)ccc1I ZINC001217963365 1297539422 /nfs/dbraw/zinc/53/94/22/1297539422.db2.gz XACMVGIPLSVUBM-SECBINFHSA-N 1 0 348.140 2.330 20 5 EEBDRO Nc1ccc2n(C(=O)C3CC4(C[NH2+]C4)C3)c3ccccc3cc-2c1=O ZINC001219255539 1297965562 /nfs/dbraw/zinc/96/55/62/1297965562.db2.gz DNMGJORGUYJGMA-UHFFFAOYSA-N 1 0 333.391 2.328 20 5 EEBDRO Cc1cnc(NCCN(C)C(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001101643507 1299715819 /nfs/dbraw/zinc/71/58/19/1299715819.db2.gz LSPSDJPTBRPBHT-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO COC(=O)c1cc(O[C@H]2CC[N@@H+](C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226439980 1301413563 /nfs/dbraw/zinc/41/35/63/1301413563.db2.gz RLHYRVXJARXQKH-NSHDSACASA-N 1 0 338.360 2.252 20 5 EEBDRO CN1[C@@H]2C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4s3)[C@H]1CC(=O)C2 ZINC001228208789 1302155705 /nfs/dbraw/zinc/15/57/05/1302155705.db2.gz FVVGGOGVCZXZAX-ZWKOPEQDSA-N 1 0 333.369 2.388 20 5 EEBDRO C[NH+](C)CCCC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103459011 1302988539 /nfs/dbraw/zinc/98/85/39/1302988539.db2.gz VBIAYVARVFFKKE-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CCCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1F ZINC001229975037 1303005099 /nfs/dbraw/zinc/00/50/99/1303005099.db2.gz SNLJZNDZVZRKGH-LLVKDONJSA-N 1 0 332.367 2.116 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001325324274 1333863601 /nfs/dbraw/zinc/86/36/01/1333863601.db2.gz NWVLPYHHDXUCRI-SNVBAGLBSA-N 1 0 328.800 2.088 20 5 EEBDRO CC1(C)CN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783623722 1304312806 /nfs/dbraw/zinc/31/28/06/1304312806.db2.gz VINNZZFGUTYQPM-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO CCOCCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234318340 1304866750 /nfs/dbraw/zinc/86/67/50/1304866750.db2.gz FWNVACDYACTRID-UHFFFAOYSA-N 1 0 337.420 2.350 20 5 EEBDRO O[C@H]1C[NH2+]CC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247753574 1310712240 /nfs/dbraw/zinc/71/22/40/1310712240.db2.gz KMOVEDSFGZATDI-HIFRSBDPSA-N 1 0 347.378 2.271 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@]45C[NH2+][C@@H](CO4)C5)n3)nc12 ZINC001247945869 1310791689 /nfs/dbraw/zinc/79/16/89/1310791689.db2.gz JJCUFUXKFZFPCJ-BFUOFWGJSA-N 1 0 345.362 2.420 20 5 EEBDRO [NH3+][C@@H](Cc1nc(-c2ccccn2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248214249 1310864642 /nfs/dbraw/zinc/86/46/42/1310864642.db2.gz MUZZLPOTIRCKHX-GFCCVEGCSA-N 1 0 325.328 2.152 20 5 EEBDRO C[N@H+](CCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000837224187 1315062549 /nfs/dbraw/zinc/06/25/49/1315062549.db2.gz BHIBFSQAJPGRMB-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000841856577 1315624785 /nfs/dbraw/zinc/62/47/85/1315624785.db2.gz SMGIDBKEJIIFGG-ZANVPECISA-N 1 0 326.784 2.127 20 5 EEBDRO Cc1nc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1[C@@H](C)O ZINC000843105447 1315843370 /nfs/dbraw/zinc/84/33/70/1315843370.db2.gz FONGPXAAPYJNAZ-SJKOYZFVSA-N 1 0 331.372 2.175 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000843116856 1315846992 /nfs/dbraw/zinc/84/69/92/1315846992.db2.gz IPFQEDOSYLXHQA-GUDVDZBRSA-N 1 0 342.395 2.384 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843306543 1315887360 /nfs/dbraw/zinc/88/73/60/1315887360.db2.gz UAQYHKXDQBVBRN-JQWIXIFHSA-N 1 0 336.348 2.153 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000843335854 1315893088 /nfs/dbraw/zinc/89/30/88/1315893088.db2.gz QYDSTJXSRQZNPL-JTQLQIEISA-N 1 0 336.348 2.011 20 5 EEBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC([NH3+])CC1 ZINC000843355744 1315898991 /nfs/dbraw/zinc/89/89/91/1315898991.db2.gz WHMBADNVDHZACO-UHFFFAOYSA-N 1 0 331.376 2.347 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843482210 1315921191 /nfs/dbraw/zinc/92/11/91/1315921191.db2.gz KNKYYEWYFGJILS-NOZJJQNGSA-N 1 0 341.770 2.140 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NCC[C@@H]3CCOC34C[NH2+]C4)ccc21 ZINC001155476912 1317613250 /nfs/dbraw/zinc/61/32/50/1317613250.db2.gz JCTUGLLMJXRGQJ-GFCCVEGCSA-N 1 0 328.372 2.324 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)n1 ZINC001155824429 1317749916 /nfs/dbraw/zinc/74/99/16/1317749916.db2.gz PAPXPIJQLSDNSF-IINYFYTJSA-N 1 0 341.799 2.060 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)n1 ZINC001156502622 1318044152 /nfs/dbraw/zinc/04/41/52/1318044152.db2.gz SKRAYMHZNAQMAY-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254468975 1318081855 /nfs/dbraw/zinc/08/18/55/1318081855.db2.gz RINBOICZQSIAHY-OTVXOJSOSA-N 1 0 347.415 2.495 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2ncc([N+](=O)[O-])cc2Cl)COC1 ZINC001156628506 1318119053 /nfs/dbraw/zinc/11/90/53/1318119053.db2.gz WLAQMTQHWYRNRR-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO CCNC(=O)COC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254570073 1318123699 /nfs/dbraw/zinc/12/36/99/1318123699.db2.gz MMASMVWYSOXUHV-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)C2 ZINC001254572541 1318125996 /nfs/dbraw/zinc/12/59/96/1318125996.db2.gz PTUWSQHFZDNHOQ-IEBWSBKVSA-N 1 0 342.395 2.229 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577554 1318128048 /nfs/dbraw/zinc/12/80/48/1318128048.db2.gz FMQMVSSVSUGYHW-RDJZCZTQSA-N 1 0 341.367 2.351 20 5 EEBDRO CC(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)N1CCCC1 ZINC001254579415 1318129115 /nfs/dbraw/zinc/12/91/15/1318129115.db2.gz RUCKJLMSTUNGDL-WBVHZDCISA-N 1 0 331.416 2.299 20 5 EEBDRO CC(C)Oc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254587647 1318134138 /nfs/dbraw/zinc/13/41/38/1318134138.db2.gz RYEPJPXAIOWGMB-AWEZNQCLSA-N 1 0 328.372 2.429 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586745 1318135467 /nfs/dbraw/zinc/13/54/67/1318135467.db2.gz SRZIAULDZIYBMK-IAGOWNOFSA-N 1 0 343.427 2.443 20 5 EEBDRO [NH2+]=C(N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cnc2ccc(F)cn21 ZINC001254590685 1318136132 /nfs/dbraw/zinc/13/61/32/1318136132.db2.gz YSMMXUTYBNPXLY-CYBMUJFWSA-N 1 0 339.330 2.464 20 5 EEBDRO Cn1cnnc1C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603670 1318140008 /nfs/dbraw/zinc/14/00/08/1318140008.db2.gz QATZWIQTDNCSBT-MRXNPFEDSA-N 1 0 327.388 2.070 20 5 EEBDRO CC(C)(C)OC(=O)C1(Nc2cc([N+](=O)[O-])ccn2)CCC([NH3+])CC1 ZINC001156794342 1318213645 /nfs/dbraw/zinc/21/36/45/1318213645.db2.gz DODUOLCTZRFCLV-UHFFFAOYSA-N 1 0 336.392 2.384 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157264660 1318529667 /nfs/dbraw/zinc/52/96/67/1318529667.db2.gz FVLFNGLJIOVPNT-RKDXNWHRSA-N 1 0 343.840 2.291 20 5 EEBDRO COc1cc(N2CCC(n3nc(C[NH3+])cc3C)CC2)ccc1[N+](=O)[O-] ZINC001256085907 1318642450 /nfs/dbraw/zinc/64/24/50/1318642450.db2.gz SPDSPBLSPGYFJM-UHFFFAOYSA-N 1 0 345.403 2.409 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256084448 1318643014 /nfs/dbraw/zinc/64/30/14/1318643014.db2.gz DBJJSSIWBTVUCY-AWEZNQCLSA-N 1 0 335.404 2.341 20 5 EEBDRO COC[C@@H]1CC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256103242 1318650126 /nfs/dbraw/zinc/65/01/26/1318650126.db2.gz KAJKXTUEIUQLEZ-HNNXBMFYSA-N 1 0 335.404 2.293 20 5 EEBDRO CC1([NH+]2CCCC2)CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157652435 1318773104 /nfs/dbraw/zinc/77/31/04/1318773104.db2.gz PABVABDRADNFOH-UHFFFAOYSA-N 1 0 325.800 2.493 20 5 EEBDRO [NH3+]C[C@@]1(F)CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001157812908 1318879729 /nfs/dbraw/zinc/87/97/29/1318879729.db2.gz LKQLFTPEENKJSQ-ZDUSSCGKSA-N 1 0 325.731 2.069 20 5 EEBDRO Cc1cnccc1CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001158111154 1319020695 /nfs/dbraw/zinc/02/06/95/1319020695.db2.gz DGNYVDOMTJRSAK-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1 ZINC001158258845 1319117313 /nfs/dbraw/zinc/11/73/13/1319117313.db2.gz JXZAHKPIQWUWDY-AWEZNQCLSA-N 1 0 341.415 2.145 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001158487461 1319265704 /nfs/dbraw/zinc/26/57/04/1319265704.db2.gz BNHUYEXTNXFDRA-UHFFFAOYSA-N 1 0 334.420 2.380 20 5 EEBDRO [NH3+]Cc1ccc2c(n1)N(c1cnc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC001158649592 1319354594 /nfs/dbraw/zinc/35/45/94/1319354594.db2.gz OGRBUOIBSXHBPO-UHFFFAOYSA-N 1 0 336.355 2.476 20 5 EEBDRO CN(C)/C=C/c1cc(NCC23CC[NH+](CC2)CC3)ncc1[N+](=O)[O-] ZINC001158828480 1319456262 /nfs/dbraw/zinc/45/62/62/1319456262.db2.gz CQKUTZZCPCKLDF-XVNBXDOJSA-N 1 0 331.420 2.420 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC2(C1)CCC[NH2+]C2 ZINC001159020138 1319559731 /nfs/dbraw/zinc/55/97/31/1319559731.db2.gz WIFAXURBWIPZII-UHFFFAOYSA-N 1 0 333.779 2.381 20 5 EEBDRO COc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c([N+](=O)[O-])c1 ZINC001159339960 1319749997 /nfs/dbraw/zinc/74/99/97/1319749997.db2.gz QXFLNIHHCIXUKQ-CYBMUJFWSA-N 1 0 330.344 2.483 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2(c3ccccc3)CC2)nc1C1C[NH2+]C1 ZINC001160262528 1320114909 /nfs/dbraw/zinc/11/49/09/1320114909.db2.gz JDLSTULFSLUORX-UHFFFAOYSA-N 1 0 325.372 2.215 20 5 EEBDRO CCOc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160738053 1320254318 /nfs/dbraw/zinc/25/43/18/1320254318.db2.gz IXVFNWBLOSFEFW-IUCAKERBSA-N 1 0 334.298 2.341 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)cnc1Cl ZINC001162789734 1320958920 /nfs/dbraw/zinc/95/89/20/1320958920.db2.gz LCWBQWKMKIQVEI-FXBDTBDDSA-N 1 0 330.722 2.056 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972503 1321000561 /nfs/dbraw/zinc/00/05/61/1321000561.db2.gz VXOIOIXNLFKZDE-UHFFFAOYSA-N 1 0 330.392 2.217 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163219740 1321070201 /nfs/dbraw/zinc/07/02/01/1321070201.db2.gz FCYBMUJVFLLPIH-MRVPVSSYSA-N 1 0 326.765 2.200 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cnc(-c3ccc(C[NH3+])cc3)c2)n1 ZINC001163218585 1321070241 /nfs/dbraw/zinc/07/02/41/1321070241.db2.gz PCLWBDFFDMHUCH-UHFFFAOYSA-N 1 0 340.343 2.013 20 5 EEBDRO CN(C)c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163282874 1321087339 /nfs/dbraw/zinc/08/73/39/1321087339.db2.gz BHICSEUNQZMOEV-CXAGYDPISA-N 1 0 334.420 2.231 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001164491034 1321394977 /nfs/dbraw/zinc/39/49/77/1321394977.db2.gz XZOAKZDCWUKRPE-HZPDHXFCSA-N 1 0 331.416 2.036 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCCC23CC[NH2+]CC3)n1 ZINC001165335119 1321503350 /nfs/dbraw/zinc/50/33/50/1321503350.db2.gz OOYWQWSBEWPRPC-UHFFFAOYSA-N 1 0 325.800 2.459 20 5 EEBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC001307214721 1331517520 /nfs/dbraw/zinc/51/75/20/1331517520.db2.gz QOVAUQIPMBTWMU-OAHLLOKOSA-N 1 0 331.347 2.377 20 5 EEBDRO [NH3+]CCN(Cc1ccc2oc(=O)oc2c1)c1ccccc1[N+](=O)[O-] ZINC001308747454 1331604443 /nfs/dbraw/zinc/60/44/43/1331604443.db2.gz QPIWVDJALVPRAI-UHFFFAOYSA-N 1 0 329.312 2.260 20 5 EEBDRO CC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC001317929651 1332444741 /nfs/dbraw/zinc/44/47/41/1332444741.db2.gz PNJGZPMCXQYBHG-UHFFFAOYSA-N 1 0 335.404 2.377 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=S)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318755659 1332588851 /nfs/dbraw/zinc/58/88/51/1332588851.db2.gz SGROJUDCLQUFCJ-UHFFFAOYSA-N 1 0 336.461 2.373 20 5 EEBDRO CC(C)[N@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001319181898 1332661439 /nfs/dbraw/zinc/66/14/39/1332661439.db2.gz RGOXBTCIVONKOA-QGZVFWFLSA-N 1 0 332.404 2.105 20 5 EEBDRO CC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001321247552 1333054055 /nfs/dbraw/zinc/05/40/55/1333054055.db2.gz UWFNUYGPHJOZBB-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CS[C@H]1CC[C@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC001323267903 1333426740 /nfs/dbraw/zinc/42/67/40/1333426740.db2.gz CRQWICDLOGEOMM-JQWIXIFHSA-N 1 0 349.412 2.364 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609166120 1351872815 /nfs/dbraw/zinc/87/28/15/1351872815.db2.gz HSQRGBMUJSGLFP-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001335718512 1336417329 /nfs/dbraw/zinc/41/73/29/1336417329.db2.gz ZYELSRGEOQOOKF-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cncn2C)CC1 ZINC001338521132 1336871595 /nfs/dbraw/zinc/87/15/95/1336871595.db2.gz YAFPOEDNGKIDNH-UHFFFAOYSA-N 1 0 344.371 2.357 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001338535911 1336873738 /nfs/dbraw/zinc/87/37/38/1336873738.db2.gz WLYPIFUEJIHTOS-OCCSQVGLSA-N 1 0 347.337 2.245 20 5 EEBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001344479683 1337396845 /nfs/dbraw/zinc/39/68/45/1337396845.db2.gz VWIQYKYJUKYABL-CQSZACIVSA-N 1 0 338.456 2.192 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000848479558 1338705660 /nfs/dbraw/zinc/70/56/60/1338705660.db2.gz FHPXUZRAQQBBGF-INIZCTEOSA-N 1 0 339.399 2.362 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583401 1338724697 /nfs/dbraw/zinc/72/46/97/1338724697.db2.gz YHLCVYOXUZUTGN-JTQLQIEISA-N 1 0 331.319 2.023 20 5 EEBDRO C[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC001576017902 1343947192 /nfs/dbraw/zinc/94/71/92/1343947192.db2.gz YMKLZMXWWDJNIO-STQMWFEESA-N 1 0 334.420 2.467 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH2+]C(C)(C)C1 ZINC001576314443 1343997074 /nfs/dbraw/zinc/99/70/74/1343997074.db2.gz GHOVKRAPGAZKPT-LLVKDONJSA-N 1 0 331.376 2.390 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001576749081 1344055322 /nfs/dbraw/zinc/05/53/22/1344055322.db2.gz PMWVUEWDTAAXCO-JRKPZEMJSA-N 1 0 343.330 2.313 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001576749153 1344055486 /nfs/dbraw/zinc/05/54/86/1344055486.db2.gz QCWCWAIZVGXMSI-HFAKWTLXSA-N 1 0 331.376 2.121 20 5 EEBDRO COc1ccc(OCCN(Cc2cn[nH]n2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001577071483 1344086583 /nfs/dbraw/zinc/08/65/83/1344086583.db2.gz AFRXOMYMFMUWRP-UHFFFAOYSA-N 1 0 349.391 2.401 20 5 EEBDRO COc1cc(CSC2C[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001579154106 1344344625 /nfs/dbraw/zinc/34/46/25/1344344625.db2.gz SUTUBARQJNRXRU-UHFFFAOYSA-N 1 0 334.344 2.452 20 5 EEBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[C@H]1CC[NH2+]C1 ZINC001579902203 1344430408 /nfs/dbraw/zinc/43/04/08/1344430408.db2.gz DOTDGZDXWMSDMT-CQSZACIVSA-N 1 0 344.419 2.131 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590258865 1349233452 /nfs/dbraw/zinc/23/34/52/1349233452.db2.gz DBAJFDMOISFYQF-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]1SCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001590337741 1349273383 /nfs/dbraw/zinc/27/33/83/1349273383.db2.gz RSCUEHOQFBXPLR-NXEZZACHSA-N 1 0 334.405 2.101 20 5 EEBDRO CCCN(CC[NH+](CC)CC)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590625403 1349378943 /nfs/dbraw/zinc/37/89/43/1349378943.db2.gz XWEKSIXUTXVONM-UHFFFAOYSA-N 1 0 347.423 2.333 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001593481012 1349812982 /nfs/dbraw/zinc/81/29/82/1349812982.db2.gz FZWHVVDCKXCDAF-ZDUSSCGKSA-N 1 0 336.302 2.006 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603518828 1350715617 /nfs/dbraw/zinc/71/56/17/1350715617.db2.gz WPQICTZSBKXWDH-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001604294600 1350910920 /nfs/dbraw/zinc/91/09/20/1350910920.db2.gz JJKPHXZXZVIKCA-UHFFFAOYSA-N 1 0 345.407 2.087 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001604679195 1350983073 /nfs/dbraw/zinc/98/30/73/1350983073.db2.gz IKYIUYMBVVDICV-WDEREUQCSA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553448 1368033694 /nfs/dbraw/zinc/03/36/94/1368033694.db2.gz ANMOQTWQGVMGNK-HIFRSBDPSA-N 1 0 336.436 2.184 20 5 EEBDRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000861748725 1369505618 /nfs/dbraw/zinc/50/56/18/1369505618.db2.gz RBPMXCKKTDXATN-CABCVRRESA-N 1 0 340.383 2.461 20 5 EEBDRO C[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001116165332 1371721594 /nfs/dbraw/zinc/72/15/94/1371721594.db2.gz UDMFOHHBHWTGKU-ZDUSSCGKSA-N 1 0 332.404 2.494 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001121988752 1371937830 /nfs/dbraw/zinc/93/78/30/1371937830.db2.gz NNJGQERDCMGNIH-GOSISDBHSA-N 1 0 348.447 2.255 20 5 EEBDRO C[NH+](C)CCc1ccccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830648175 1372338200 /nfs/dbraw/zinc/33/82/00/1372338200.db2.gz AHFWUESNWRHRRB-KRWDZBQOSA-N 1 0 343.383 2.371 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000836854844 1372753951 /nfs/dbraw/zinc/75/39/51/1372753951.db2.gz AOLMPYDXURNUAZ-UHFFFAOYSA-N 1 0 338.364 2.353 20 5 EEBDRO CC[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848580578 1373158941 /nfs/dbraw/zinc/15/89/41/1373158941.db2.gz ZESIHPNHOKJENG-UHFFFAOYSA-N 1 0 343.330 2.167 20 5 EEBDRO C[N@H+](CCNC(=O)/C=C/c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753047608 1406634413 /nfs/dbraw/zinc/63/44/13/1406634413.db2.gz NPFURCZJELAYSH-RMKNXTFCSA-N 1 0 328.372 2.184 20 5 EEBDRO CC1(C)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1[NH3+] ZINC001576452830 1403575055 /nfs/dbraw/zinc/57/50/55/1403575055.db2.gz GQRKAWBIQXPTAI-LLVKDONJSA-N 1 0 344.318 2.397 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001164667731 719482432 /nfs/dbraw/zinc/48/24/32/719482432.db2.gz MKWATNBQEHMQKN-CABCVRRESA-N 1 0 348.790 2.316 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(Cc2ccccc2)C2(C[NH3+])COC2)n1 ZINC001167370890 758171635 /nfs/dbraw/zinc/17/16/35/758171635.db2.gz DEBVIHSDLCQVSR-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO CCn1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001167435835 759378800 /nfs/dbraw/zinc/37/88/00/759378800.db2.gz QOMADJCTEZXOCV-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104424840 760689970 /nfs/dbraw/zinc/68/99/70/760689970.db2.gz AQWFULFWJCIFDN-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001105408746 782908761 /nfs/dbraw/zinc/90/87/61/782908761.db2.gz CMHYNQQZJGCBRS-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000233487484 773568876 /nfs/dbraw/zinc/56/88/76/773568876.db2.gz BCEFOMXUMBUNBM-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO COc1c(O)ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)c1[N+](=O)[O-] ZINC000893942218 780323874 /nfs/dbraw/zinc/32/38/74/780323874.db2.gz ZVSBRZTXKHJEHQ-JTQLQIEISA-N 1 0 338.282 2.366 20 5 EEBDRO Cc1cccc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997770314 791036509 /nfs/dbraw/zinc/03/65/09/791036509.db2.gz VQOQNQSPWLBCCK-SJLPKXTDSA-N 1 0 345.443 2.297 20 5 EEBDRO CCc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997773044 791043971 /nfs/dbraw/zinc/04/39/71/791043971.db2.gz RIPPFXNNAQXKAM-QZTJIDSGSA-N 1 0 345.443 2.242 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000817374179 784721716 /nfs/dbraw/zinc/72/17/16/784721716.db2.gz JFWUOKOKFQOTCS-QGZVFWFLSA-N 1 0 329.404 2.442 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000817483855 784792196 /nfs/dbraw/zinc/79/21/96/784792196.db2.gz KLEOKKXMPNOEIM-UHFFFAOYSA-N 1 0 339.367 2.102 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000818532517 785274766 /nfs/dbraw/zinc/27/47/66/785274766.db2.gz NZPZMIVMGVEFQH-VIFPVBQESA-N 1 0 329.759 2.046 20 5 EEBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCCCC[NH3+])C1=O ZINC000818617728 785304070 /nfs/dbraw/zinc/30/40/70/785304070.db2.gz IAPJHMIJGKZKBW-KRWDZBQOSA-N 1 0 348.403 2.271 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000818609699 785322478 /nfs/dbraw/zinc/32/24/78/785322478.db2.gz WEILBLHKJZPGCG-HNNXBMFYSA-N 1 0 325.368 2.362 20 5 EEBDRO COC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819200144 785459139 /nfs/dbraw/zinc/45/91/39/785459139.db2.gz LGTHLRVCNRXJOC-QGZVFWFLSA-N 1 0 344.367 2.247 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000819264688 785499138 /nfs/dbraw/zinc/49/91/38/785499138.db2.gz BGMVWQLMMAGIMW-NSHDSACASA-N 1 0 340.273 2.135 20 5 EEBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC000996440679 786377236 /nfs/dbraw/zinc/37/72/36/786377236.db2.gz MHTWOAAAZKHJSH-HUUCEWRRSA-N 1 0 337.445 2.111 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910270446 786597535 /nfs/dbraw/zinc/59/75/35/786597535.db2.gz MTTHNMPEYKNVCH-LLVKDONJSA-N 1 0 339.367 2.299 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000823132520 787580866 /nfs/dbraw/zinc/58/08/66/787580866.db2.gz GAOOEIOFENZQRQ-MRVPVSSYSA-N 1 0 344.774 2.136 20 5 EEBDRO C[N@H+](CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001107565471 787668216 /nfs/dbraw/zinc/66/82/16/787668216.db2.gz ZKHLYDXCMQHSDQ-SNAWJCMRSA-N 1 0 332.404 2.163 20 5 EEBDRO CCOC(=O)c1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000824383534 788155279 /nfs/dbraw/zinc/15/52/79/788155279.db2.gz PQSLWMPDOAEZLA-UHFFFAOYSA-N 1 0 346.387 2.373 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000150935734 788430466 /nfs/dbraw/zinc/43/04/66/788430466.db2.gz XLPJHFNQZWHJNO-MRXNPFEDSA-N 1 0 332.404 2.256 20 5 EEBDRO O=C(C(F)F)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997455585 789934897 /nfs/dbraw/zinc/93/48/97/789934897.db2.gz KTGLSPCVFZZWFU-UHFFFAOYSA-N 1 0 327.331 2.188 20 5 EEBDRO COCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147106071 791703599 /nfs/dbraw/zinc/70/35/99/791703599.db2.gz LFNBZGWVBJWUCC-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO CCCc1nc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001147940545 792047255 /nfs/dbraw/zinc/04/72/55/792047255.db2.gz WWLBKPWZLLKRBK-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000232470713 792090233 /nfs/dbraw/zinc/09/02/33/792090233.db2.gz KVSDVFUDFKCJJR-QWRGUYRKSA-N 1 0 326.194 2.009 20 5 EEBDRO 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/nfs/dbraw/zinc/30/18/66/247301866.db2.gz AZXLTRXAFGFVEZ-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265302542 247387485 /nfs/dbraw/zinc/38/74/85/247387485.db2.gz YMFNYYNWIVSQEV-LLVKDONJSA-N 1 0 341.795 2.085 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000266058777 248068943 /nfs/dbraw/zinc/06/89/43/248068943.db2.gz AHXQESVFOCFQDD-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266588197 248373125 /nfs/dbraw/zinc/37/31/25/248373125.db2.gz KWXIJOVVCKPDSZ-JLZZUVOBSA-N 1 0 348.378 2.374 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000176742190 285079730 /nfs/dbraw/zinc/07/97/30/285079730.db2.gz QPQJMGUALZSYNQ-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C2(C[NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000160482985 255798018 /nfs/dbraw/zinc/79/80/18/255798018.db2.gz MKKDUHCEVZXABK-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000119328413 285163847 /nfs/dbraw/zinc/16/38/47/285163847.db2.gz MYQVBEQNRJOHFB-OALUTQOASA-N 1 0 339.395 2.375 20 5 EEBDRO CC(=O)c1ccc(NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267154122 256032837 /nfs/dbraw/zinc/03/28/37/256032837.db2.gz DCSMYMGIFIQSKA-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000270683129 256160216 /nfs/dbraw/zinc/16/02/16/256160216.db2.gz VNSYDKPSLBVLSY-XJKSGUPXSA-N 1 0 331.372 2.423 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCS(=O)(=O)CC2)C2CC2)cc1 ZINC000271008540 256197949 /nfs/dbraw/zinc/19/79/49/256197949.db2.gz LLBVJAKTJVSQKP-UHFFFAOYSA-N 1 0 338.429 2.384 20 5 EEBDRO Cc1ccnc(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000272886836 256246697 /nfs/dbraw/zinc/24/66/97/256246697.db2.gz DDPHOTWOUHCMIZ-UHFFFAOYSA-N 1 0 331.376 2.038 20 5 EEBDRO COC(=O)C[C@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271205186 256219316 /nfs/dbraw/zinc/21/93/16/256219316.db2.gz REPRHTICFQDQJM-GFCCVEGCSA-N 1 0 338.360 2.140 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000273258859 256281815 /nfs/dbraw/zinc/28/18/15/256281815.db2.gz DFMYPPQZNSVBNZ-LLVKDONJSA-N 1 0 347.375 2.016 20 5 EEBDRO COCCCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000358224908 292328049 /nfs/dbraw/zinc/32/80/49/292328049.db2.gz NBJAUEXEXJLERL-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000127792395 292330600 /nfs/dbraw/zinc/33/06/00/292330600.db2.gz QXGYVFWFOKCIJX-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000069129100 159025248 /nfs/dbraw/zinc/02/52/48/159025248.db2.gz ILROVNXCYNNNPL-SECBINFHSA-N 1 0 347.824 2.009 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000120095892 159386794 /nfs/dbraw/zinc/38/67/94/159386794.db2.gz QTLPULRBUZRPDT-HIFRSBDPSA-N 1 0 335.379 2.362 20 5 EEBDRO CSCC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000342314893 161055521 /nfs/dbraw/zinc/05/55/21/161055521.db2.gz ODPSTCHPYJYVDV-QPBFKRLHSA-N 1 0 337.445 2.408 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000342380751 161060924 /nfs/dbraw/zinc/06/09/24/161060924.db2.gz KCMNZKRZMZXMQP-GXTWGEPZSA-N 1 0 328.372 2.316 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCNCC2(F)F)cc1[N+](=O)[O-] ZINC000342644576 161080251 /nfs/dbraw/zinc/08/02/51/161080251.db2.gz BYKBFSLMVFZZHW-CMPLNLGQSA-N 1 0 327.331 2.325 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000342872897 161097007 /nfs/dbraw/zinc/09/70/07/161097007.db2.gz ITUYPOBVGVAIGC-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO O=C1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1 ZINC000344253339 161211618 /nfs/dbraw/zinc/21/16/18/161211618.db2.gz BLAOCVMTYBVBQH-NSHDSACASA-N 1 0 332.385 2.087 20 5 EEBDRO Cn1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000344860751 161251563 /nfs/dbraw/zinc/25/15/63/161251563.db2.gz DKWRUQZFMBDHRP-UHFFFAOYSA-N 1 0 342.399 2.281 20 5 EEBDRO CS(=O)(=O)c1cccc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000345156469 161277244 /nfs/dbraw/zinc/27/72/44/161277244.db2.gz ZWAWMSXVPMWTLQ-UHFFFAOYSA-N 1 0 341.433 2.286 20 5 EEBDRO C[C@@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352407161 162124265 /nfs/dbraw/zinc/12/42/65/162124265.db2.gz RTYPBQVRLSOUDH-VIFPVBQESA-N 1 0 340.286 2.211 20 5 EEBDRO CN(C(=O)CN(CCC[NH3+])CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000352524231 162171202 /nfs/dbraw/zinc/17/12/02/162171202.db2.gz AQYUPACJSUBHLR-UHFFFAOYSA-N 1 0 348.447 2.399 20 5 EEBDRO COc1cc(CN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352691180 162245949 /nfs/dbraw/zinc/24/59/49/162245949.db2.gz JSDIOGGOABWUNA-JTQLQIEISA-N 1 0 345.346 2.041 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353028607 162402808 /nfs/dbraw/zinc/40/28/08/162402808.db2.gz BTUVMJPIONAGJV-JTQLQIEISA-N 1 0 334.825 2.204 20 5 EEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c[nH+]cn2c1 ZINC000355337116 163151177 /nfs/dbraw/zinc/15/11/77/163151177.db2.gz HKMPKFPJDAEBMV-UHFFFAOYSA-N 1 0 336.311 2.049 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000358041725 163820568 /nfs/dbraw/zinc/82/05/68/163820568.db2.gz UTORBFLJUZPLQJ-GZBFAFLISA-N 1 0 340.445 2.453 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000359133818 164068366 /nfs/dbraw/zinc/06/83/66/164068366.db2.gz BOWFUYAQFAEMJB-AWEZNQCLSA-N 1 0 337.445 2.033 20 5 EEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000359656554 164146045 /nfs/dbraw/zinc/14/60/45/164146045.db2.gz HLQMURAVPDPTHS-HNNXBMFYSA-N 1 0 343.449 2.240 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@H](C)NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000360313632 164282666 /nfs/dbraw/zinc/28/26/66/164282666.db2.gz CMUKGCWMVCOZRY-LBPRGKRZSA-N 1 0 335.404 2.340 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368238754 166074928 /nfs/dbraw/zinc/07/49/28/166074928.db2.gz CHJFJOHUAKMSJZ-QXSJWSMHSA-N 1 0 336.436 2.443 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000364355890 165108706 /nfs/dbraw/zinc/10/87/06/165108706.db2.gz DIZOHGOITRMPMB-HUUCEWRRSA-N 1 0 337.807 2.040 20 5 EEBDRO CCC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000375652470 167175235 /nfs/dbraw/zinc/17/52/35/167175235.db2.gz BTPSBBLXFSPZTF-ZIAGYGMSSA-N 1 0 333.388 2.463 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000158506176 225029831 /nfs/dbraw/zinc/02/98/31/225029831.db2.gz QBRBTXGLEOVDOQ-FZMZJTMJSA-N 1 0 325.796 2.424 20 5 EEBDRO COc1ccc(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000158744193 225077821 /nfs/dbraw/zinc/07/78/21/225077821.db2.gz RVYMZDVJYUGQEX-HOCLYGCPSA-N 1 0 349.431 2.398 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000159213450 225171329 /nfs/dbraw/zinc/17/13/29/225171329.db2.gz LNKNGMMGXMFVMA-HNNXBMFYSA-N 1 0 332.404 2.052 20 5 EEBDRO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123813923 222335291 /nfs/dbraw/zinc/33/52/91/222335291.db2.gz TWKOSXUQVNSSIM-SWLSCSKDSA-N 1 0 335.404 2.376 20 5 EEBDRO COc1cc(C(=O)N(CC[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000269642606 268713882 /nfs/dbraw/zinc/71/38/82/268713882.db2.gz XCXVJDGFHIABIJ-UHFFFAOYSA-N 1 0 339.392 2.024 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000274470339 269036158 /nfs/dbraw/zinc/03/61/58/269036158.db2.gz LFNIHQZKAOBRSJ-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000277094821 269142175 /nfs/dbraw/zinc/14/21/75/269142175.db2.gz BWCCIHDUDDTXMH-LLVKDONJSA-N 1 0 331.376 2.027 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277654134 269167998 /nfs/dbraw/zinc/16/79/98/269167998.db2.gz SUZUNRGVFPOPBW-KWQFWETISA-N 1 0 331.294 2.341 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000277912489 269197403 /nfs/dbraw/zinc/19/74/03/269197403.db2.gz GNJUEGTYFNHYTP-GFCCVEGCSA-N 1 0 338.364 2.416 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278233481 269217504 /nfs/dbraw/zinc/21/75/04/269217504.db2.gz KMVXUXMZHXBGBU-SCZZXKLOSA-N 1 0 331.294 2.484 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000278502982 269234605 /nfs/dbraw/zinc/23/46/05/269234605.db2.gz OHAUWJSRZDTDGW-OAHLLOKOSA-N 1 0 329.404 2.395 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1[NH+](C)C ZINC000271387631 274128038 /nfs/dbraw/zinc/12/80/38/274128038.db2.gz BXBYATHBJBSWGS-HUUCEWRRSA-N 1 0 348.428 2.194 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272284972 274166449 /nfs/dbraw/zinc/16/64/49/274166449.db2.gz DZGNBVVMVZESHH-LLVKDONJSA-N 1 0 327.331 2.097 20 5 EEBDRO COc1cc(CN2CCC(CNC(C)=O)CC2)c([N+](=O)[O-])cc1F ZINC000274263435 274188122 /nfs/dbraw/zinc/18/81/22/274188122.db2.gz KWOJJZCXJYKKOP-UHFFFAOYSA-N 1 0 339.367 2.091 20 5 EEBDRO NC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343496 274190100 /nfs/dbraw/zinc/19/01/00/274190100.db2.gz IWJIBZOHDSUMTN-RISCZKNCSA-N 1 0 344.371 2.183 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555395 274371974 /nfs/dbraw/zinc/37/19/74/274371974.db2.gz BXGXVPZFMVXZMJ-SJCJKPOMSA-N 1 0 332.356 2.484 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)C2)CC1 ZINC000287153818 274939898 /nfs/dbraw/zinc/93/98/98/274939898.db2.gz GHBKHNVYSPXNEN-INIZCTEOSA-N 1 0 346.431 2.014 20 5 EEBDRO Cn1cc(C[NH2+]CC2=CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288352248 275049687 /nfs/dbraw/zinc/04/96/87/275049687.db2.gz CCTLDXFBUQYVDM-UHFFFAOYSA-N 1 0 328.372 2.432 20 5 EEBDRO Cc1cccnc1OC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000289394524 275113368 /nfs/dbraw/zinc/11/33/68/275113368.db2.gz MZYWGJOORVUINC-UHFFFAOYSA-N 1 0 331.376 2.038 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000291023049 275261962 /nfs/dbraw/zinc/26/19/62/275261962.db2.gz XWPINFIKMXNJJL-INIZCTEOSA-N 1 0 336.388 2.348 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000291635890 275325254 /nfs/dbraw/zinc/32/52/54/275325254.db2.gz VEIBKBKRPZRGOK-LLVKDONJSA-N 1 0 338.364 2.353 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000188015080 533689529 /nfs/dbraw/zinc/68/95/29/533689529.db2.gz FMCOIMFTAJOBRN-IOASZLSFSA-N 1 0 335.404 2.453 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448974773 276108605 /nfs/dbraw/zinc/10/86/05/276108605.db2.gz DJQDQAXXORMMMD-LBPRGKRZSA-N 1 0 345.403 2.445 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246188770 278157329 /nfs/dbraw/zinc/15/73/29/278157329.db2.gz SVSUTVUQFMGGDY-KGLIPLIRSA-N 1 0 334.420 2.195 20 5 EEBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000182526261 278209542 /nfs/dbraw/zinc/20/95/42/278209542.db2.gz UJUQABVOYJUPOG-GFCCVEGCSA-N 1 0 344.371 2.066 20 5 EEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449586630 278314849 /nfs/dbraw/zinc/31/48/49/278314849.db2.gz GFTCUXBJPPRNEL-BDAKNGLRSA-N 1 0 348.325 2.268 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320047392 279372935 /nfs/dbraw/zinc/37/29/35/279372935.db2.gz YOEMSMHEYFULOC-LLVKDONJSA-N 1 0 329.422 2.139 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000269226105 279818684 /nfs/dbraw/zinc/81/86/84/279818684.db2.gz UGKRRRPOCFOLNY-QPUJVOFHSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000357861592 292688421 /nfs/dbraw/zinc/68/84/21/292688421.db2.gz IQCHKWKBDRSLBD-WFASDCNBSA-N 1 0 345.403 2.058 20 5 EEBDRO C[NH+]1CCC2(CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000369865593 289901794 /nfs/dbraw/zinc/90/17/94/289901794.db2.gz SGQSSMPDEYINEG-UHFFFAOYSA-N 1 0 332.404 2.006 20 5 EEBDRO CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282828774 292866037 /nfs/dbraw/zinc/86/60/37/292866037.db2.gz SDUDRGBHPJZLSZ-MRXNPFEDSA-N 1 0 338.404 2.194 20 5 EEBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293663157 293264053 /nfs/dbraw/zinc/26/40/53/293264053.db2.gz JMWSHFFGQXUPNL-CQSZACIVSA-N 1 0 347.415 2.306 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000294133519 293378647 /nfs/dbraw/zinc/37/86/47/293378647.db2.gz MNDLWZVSGMDUAS-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296905826 294098892 /nfs/dbraw/zinc/09/88/92/294098892.db2.gz DTSVNYBKBZOIKI-MQVJKMGUSA-N 1 0 346.431 2.404 20 5 EEBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000298515175 294517212 /nfs/dbraw/zinc/51/72/12/294517212.db2.gz KWXJDJNWKGWYQU-OAHLLOKOSA-N 1 0 346.391 2.039 20 5 EEBDRO COc1cccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)c1 ZINC000298736033 294573550 /nfs/dbraw/zinc/57/35/50/294573550.db2.gz PWQLLIHATSWRHQ-AWEZNQCLSA-N 1 0 333.392 2.360 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000299445767 294744812 /nfs/dbraw/zinc/74/48/12/294744812.db2.gz NOOHERXQWZUPPU-AWEZNQCLSA-N 1 0 345.403 2.439 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000161546096 311367715 /nfs/dbraw/zinc/36/77/15/311367715.db2.gz DYFGFWDQYKAEKW-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000332465560 312011280 /nfs/dbraw/zinc/01/12/80/312011280.db2.gz IVTDRROBQQADJT-GJZGRUSLSA-N 1 0 347.415 2.367 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000414553167 313040288 /nfs/dbraw/zinc/04/02/88/313040288.db2.gz ICRSAZJVODSWIB-QPJJXVBHSA-N 1 0 338.429 2.413 20 5 EEBDRO COc1cc(CNC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414840706 313100160 /nfs/dbraw/zinc/10/01/60/313100160.db2.gz HBOJMRGENPDPIJ-LLVKDONJSA-N 1 0 345.346 2.089 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949940 313113585 /nfs/dbraw/zinc/11/35/85/313113585.db2.gz OBHPIPPUWFGETO-QMMMGPOBSA-N 1 0 330.291 2.070 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708229 313572429 /nfs/dbraw/zinc/57/24/29/313572429.db2.gz BTYKOVAETXCZAM-GJZGRUSLSA-N 1 0 334.420 2.487 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418754623 313898741 /nfs/dbraw/zinc/89/87/41/313898741.db2.gz BHPUDCZUVVVJGC-JSGCOSHPSA-N 1 0 332.404 2.396 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418775677 313904370 /nfs/dbraw/zinc/90/43/70/313904370.db2.gz SPDKNORBCFFOKT-OAHLLOKOSA-N 1 0 332.404 2.195 20 5 EEBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000419831575 313936592 /nfs/dbraw/zinc/93/65/92/313936592.db2.gz UVQIUDXSWRPHDU-GOEBONIOSA-N 1 0 334.372 2.466 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000421780853 314163050 /nfs/dbraw/zinc/16/30/50/314163050.db2.gz WDSFXVYHWQDKMN-OAHLLOKOSA-N 1 0 347.415 2.006 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000424988682 314314992 /nfs/dbraw/zinc/31/49/92/314314992.db2.gz GMCUOINMDQSLOS-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000515347740 316482636 /nfs/dbraw/zinc/48/26/36/316482636.db2.gz MPOILCGBAHNFQP-MRXNPFEDSA-N 1 0 348.403 2.039 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000517129424 316642617 /nfs/dbraw/zinc/64/26/17/316642617.db2.gz LLQMYEDOEBCKKT-SOLBZPMBSA-N 1 0 344.415 2.468 20 5 EEBDRO Cc1cc(OCC(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000521959908 316940501 /nfs/dbraw/zinc/94/05/01/316940501.db2.gz BJBDSBCIMFNQRC-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO C[NH+](C)CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000525193048 317045248 /nfs/dbraw/zinc/04/52/48/317045248.db2.gz BIAJPMGPAXZRNK-UHFFFAOYSA-N 1 0 331.376 2.022 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000537952961 318030705 /nfs/dbraw/zinc/03/07/05/318030705.db2.gz ZVOPMYOXKMHAIT-RGYTYGDFSA-N 1 0 333.388 2.469 20 5 EEBDRO CC(C)OC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542278841 318125575 /nfs/dbraw/zinc/12/55/75/318125575.db2.gz RXBKUYISDDCMRM-CQSZACIVSA-N 1 0 338.404 2.224 20 5 EEBDRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542912327 318147360 /nfs/dbraw/zinc/14/73/60/318147360.db2.gz WNWGLKDYRSPION-INIZCTEOSA-N 1 0 347.415 2.015 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546704519 318261954 /nfs/dbraw/zinc/26/19/54/318261954.db2.gz FSPQLAPJEMJSFT-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907179 318817453 /nfs/dbraw/zinc/81/74/53/318817453.db2.gz DOPNXJDMUINTDW-QWHCGFSZSA-N 1 0 345.403 2.307 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000566890327 319329022 /nfs/dbraw/zinc/32/90/22/319329022.db2.gz WIBAZMTVQAYTSM-ZDUSSCGKSA-N 1 0 335.404 2.372 20 5 EEBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573914125 319977832 /nfs/dbraw/zinc/97/78/32/319977832.db2.gz RXVAJSLTTUBPKS-IUODEOHRSA-N 1 0 326.418 2.393 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000574292650 320013505 /nfs/dbraw/zinc/01/35/05/320013505.db2.gz PXZMKYXGLVIGEU-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000574684167 320047492 /nfs/dbraw/zinc/04/74/92/320047492.db2.gz ZWVQFQJHURYJMX-UHFFFAOYSA-N 1 0 349.387 2.366 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575432473 320106056 /nfs/dbraw/zinc/10/60/56/320106056.db2.gz DTTZUQNYBPOCNT-MRXNPFEDSA-N 1 0 346.383 2.175 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382430227 323525139 /nfs/dbraw/zinc/52/51/39/323525139.db2.gz PNHDPBZWKLRXCY-KWQFWETISA-N 1 0 342.193 2.215 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000578830661 323713345 /nfs/dbraw/zinc/71/33/45/323713345.db2.gz WSJJORNYNNPUCI-HNNXBMFYSA-N 1 0 342.355 2.202 20 5 EEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444694 324065394 /nfs/dbraw/zinc/06/53/94/324065394.db2.gz QEACMPLWPLGURP-FZMZJTMJSA-N 1 0 341.433 2.048 20 5 EEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444693 324065548 /nfs/dbraw/zinc/06/55/48/324065548.db2.gz QEACMPLWPLGURP-BXUZGUMPSA-N 1 0 341.433 2.048 20 5 EEBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000584111143 324799583 /nfs/dbraw/zinc/79/95/83/324799583.db2.gz NUFKHOJBOBYTKS-DYVFJYSZSA-N 1 0 343.383 2.426 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)c(OC(F)F)c1 ZINC000354581482 465036185 /nfs/dbraw/zinc/03/61/85/465036185.db2.gz UYQNRFZRHIWISZ-UHFFFAOYSA-N 1 0 345.346 2.312 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247642 465128322 /nfs/dbraw/zinc/12/83/22/465128322.db2.gz NRQHPHCRBNPLAP-HUUCEWRRSA-N 1 0 333.388 2.131 20 5 EEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000339362037 465223273 /nfs/dbraw/zinc/22/32/73/465223273.db2.gz RFCPBMTXFDAPNH-NSHDSACASA-N 1 0 343.347 2.271 20 5 EEBDRO COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000355201545 465232972 /nfs/dbraw/zinc/23/29/72/465232972.db2.gz BGSRYUUMNHZPHH-HDMKZQKVSA-N 1 0 349.431 2.287 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590572808 468276148 /nfs/dbraw/zinc/27/61/48/468276148.db2.gz QMJCRJHRMGRHJR-UHFFFAOYSA-N 1 0 329.404 3.026 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339619833 465393041 /nfs/dbraw/zinc/39/30/41/465393041.db2.gz YESUIMPSISGKJW-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763825 462632269 /nfs/dbraw/zinc/63/22/69/462632269.db2.gz ZOWFPOFVBOEQGF-UHFFFAOYSA-N 1 0 336.436 2.367 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000046049719 462641013 /nfs/dbraw/zinc/64/10/13/462641013.db2.gz JKCDGMBRGDAPDQ-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075750775 462755765 /nfs/dbraw/zinc/75/57/65/462755765.db2.gz QLJNWOLXCVPEDC-UXLLHSPISA-N 1 0 344.415 2.339 20 5 EEBDRO COc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000090523085 462796198 /nfs/dbraw/zinc/79/61/98/462796198.db2.gz GSHQUQIUJFHZPQ-HNNXBMFYSA-N 1 0 343.383 2.255 20 5 EEBDRO CC[C@@H](CSC)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000091098633 462835800 /nfs/dbraw/zinc/83/58/00/462835800.db2.gz CFRQKBQMERMOFQ-JSGCOSHPSA-N 1 0 328.434 2.408 20 5 EEBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000065874221 462836154 /nfs/dbraw/zinc/83/61/54/462836154.db2.gz UJXCGAXDWMARPG-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000091428590 462877706 /nfs/dbraw/zinc/87/77/06/462877706.db2.gz BQLZOKNQFZFYGL-JTQLQIEISA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000521620634 468323790 /nfs/dbraw/zinc/32/37/90/468323790.db2.gz NYKZSZKITTUUNL-CYBMUJFWSA-N 1 0 335.404 2.116 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)O1 ZINC000119815386 462930851 /nfs/dbraw/zinc/93/08/51/462930851.db2.gz JDFGCMFVLCGLLL-OAHLLOKOSA-N 1 0 347.415 2.420 20 5 EEBDRO CCOC(=O)c1ccnc(N(C)C2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000077910311 463069873 /nfs/dbraw/zinc/06/98/73/463069873.db2.gz XHNCBSFFSGSUEQ-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068209375 463105170 /nfs/dbraw/zinc/10/51/70/463105170.db2.gz LRKNCPZRGNWSRR-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000121458513 463139850 /nfs/dbraw/zinc/13/98/50/463139850.db2.gz GVCAYXDYHSZQFM-UHFFFAOYSA-N 1 0 334.420 2.170 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000157533979 463140753 /nfs/dbraw/zinc/14/07/53/463140753.db2.gz KEBGKGDPBCCLRB-UHFFFAOYSA-N 1 0 347.394 2.138 20 5 EEBDRO C[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000053349272 463152438 /nfs/dbraw/zinc/15/24/38/463152438.db2.gz RBUZQAFXVLJWGC-UHFFFAOYSA-N 1 0 343.383 2.222 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068775996 463173671 /nfs/dbraw/zinc/17/36/71/463173671.db2.gz SRRZNUQMUKKXFJ-UHFFFAOYSA-N 1 0 335.404 2.089 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027583242 463196213 /nfs/dbraw/zinc/19/62/13/463196213.db2.gz AVGGEQKYUUGTFA-QGZVFWFLSA-N 1 0 341.411 2.426 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858808 463340741 /nfs/dbraw/zinc/34/07/41/463340741.db2.gz UYFHXIDAEVHFRG-CQSZACIVSA-N 1 0 337.395 2.278 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000124487493 463430052 /nfs/dbraw/zinc/43/00/52/463430052.db2.gz SBUAURFPFLZKMT-OAHLLOKOSA-N 1 0 349.431 2.458 20 5 EEBDRO C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000124523086 463433450 /nfs/dbraw/zinc/43/34/50/463433450.db2.gz ZSZJEWSMMVSVAR-ZDUSSCGKSA-N 1 0 343.387 2.055 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081634855 463476043 /nfs/dbraw/zinc/47/60/43/463476043.db2.gz BYBDVXOLLYNMEG-OAHLLOKOSA-N 1 0 346.431 2.197 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083025956 463529688 /nfs/dbraw/zinc/52/96/88/463529688.db2.gz AEEVJONSEAQYKN-GJZGRUSLSA-N 1 0 349.431 2.143 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165819529 463647571 /nfs/dbraw/zinc/64/75/71/463647571.db2.gz KWFXCKMWLTXFHM-VIFPVBQESA-N 1 0 329.198 2.106 20 5 EEBDRO NC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126759902 463661776 /nfs/dbraw/zinc/66/17/76/463661776.db2.gz XQFODLBHDCKJHW-UHFFFAOYSA-N 1 0 344.371 2.441 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152428483 463689385 /nfs/dbraw/zinc/68/93/85/463689385.db2.gz CPEQNJHXMIYQMW-CQSZACIVSA-N 1 0 334.420 2.115 20 5 EEBDRO CC(C)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000170908595 463739694 /nfs/dbraw/zinc/73/96/94/463739694.db2.gz MBQVEISUUVOOIF-UHFFFAOYSA-N 1 0 346.387 2.236 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000268513189 463774995 /nfs/dbraw/zinc/77/49/95/463774995.db2.gz VCLWCMIOIRSEMQ-CYBMUJFWSA-N 1 0 331.376 2.410 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000276836572 463775417 /nfs/dbraw/zinc/77/54/17/463775417.db2.gz PFOMPNOBENOCMK-IUODEOHRSA-N 1 0 333.388 2.078 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000276926505 463808237 /nfs/dbraw/zinc/80/82/37/463808237.db2.gz PZRVKEDEPNZEGJ-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000283299900 463837531 /nfs/dbraw/zinc/83/75/31/463837531.db2.gz XIHNIVVWWYLDRT-LBPRGKRZSA-N 1 0 333.388 2.374 20 5 EEBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000185605694 463849846 /nfs/dbraw/zinc/84/98/46/463849846.db2.gz QKZVGWTYQIGUOV-JQWIXIFHSA-N 1 0 335.360 2.382 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261880401 463886782 /nfs/dbraw/zinc/88/67/82/463886782.db2.gz UDTDAWVWVBHCFK-CHWSQXEVSA-N 1 0 332.404 2.004 20 5 EEBDRO Cc1nccn1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000269138779 463888054 /nfs/dbraw/zinc/88/80/54/463888054.db2.gz YWGFHIKDLBJQDZ-UHFFFAOYSA-N 1 0 329.404 2.312 20 5 EEBDRO Cc1cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000194749196 463921841 /nfs/dbraw/zinc/92/18/41/463921841.db2.gz YIVDHLLMNQYRLY-UHFFFAOYSA-N 1 0 349.412 2.053 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000287585924 463935296 /nfs/dbraw/zinc/93/52/96/463935296.db2.gz DXJMBKKDOKLOIE-NSHDSACASA-N 1 0 331.376 2.164 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000186271993 463966190 /nfs/dbraw/zinc/96/61/90/463966190.db2.gz VDFMFYFGLHJURF-UHFFFAOYSA-N 1 0 340.177 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(CO)CCSCC2)cc1 ZINC000590971141 468388248 /nfs/dbraw/zinc/38/82/48/468388248.db2.gz NRCFAVFOGGKSDU-UHFFFAOYSA-N 1 0 326.418 2.211 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590971757 468388341 /nfs/dbraw/zinc/38/83/41/468388341.db2.gz KTQMOKCXMOIJQS-IMJJTQAJSA-N 1 0 331.416 2.422 20 5 EEBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269725249 464071899 /nfs/dbraw/zinc/07/18/99/464071899.db2.gz VQSKIGSMSBJFHL-KRWDZBQOSA-N 1 0 344.415 2.316 20 5 EEBDRO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347150 464090937 /nfs/dbraw/zinc/09/09/37/464090937.db2.gz VFRRTVCWBHNIFE-QWHCGFSZSA-N 1 0 326.418 2.162 20 5 EEBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000591014036 468393133 /nfs/dbraw/zinc/39/31/33/468393133.db2.gz VMBWIIODGXYPEC-GOSISDBHSA-N 1 0 343.383 2.421 20 5 EEBDRO Cc1c(Br)cc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000269940654 464134078 /nfs/dbraw/zinc/13/40/78/464134078.db2.gz KOJIFFMTSZVMDC-UHFFFAOYSA-N 1 0 344.209 2.299 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263699118 464158530 /nfs/dbraw/zinc/15/85/30/464158530.db2.gz TXWCTOXSSMADRM-GFCCVEGCSA-N 1 0 337.424 2.122 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291992258 464164978 /nfs/dbraw/zinc/16/49/78/464164978.db2.gz WXRMRMDHZYWSEP-GFCCVEGCSA-N 1 0 330.331 2.313 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1C ZINC000292267554 464179454 /nfs/dbraw/zinc/17/94/54/464179454.db2.gz PXIXUHAWKWLCOB-QGZVFWFLSA-N 1 0 333.388 2.080 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236898937 464234129 /nfs/dbraw/zinc/23/41/29/464234129.db2.gz WVAYSYMSCGMMNX-VIFPVBQESA-N 1 0 335.813 2.044 20 5 EEBDRO CC(C)[N@H+](CCCOC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000271447868 464314106 /nfs/dbraw/zinc/31/41/06/464314106.db2.gz DICAGOBHRSFMKO-UHFFFAOYSA-N 1 0 338.364 2.000 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173965455 464341421 /nfs/dbraw/zinc/34/14/21/464341421.db2.gz ZYIYDEXFOXUOHE-WFASDCNBSA-N 1 0 343.387 2.175 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180591926 464343661 /nfs/dbraw/zinc/34/36/61/464343661.db2.gz ICLRQFBMNBSRIX-OAHLLOKOSA-N 1 0 328.372 2.210 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281145684 464350046 /nfs/dbraw/zinc/35/00/46/464350046.db2.gz KGKNBAHNMJTOHP-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1ccc(NCCCNC(=O)c2ccc(C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000237668854 464360765 /nfs/dbraw/zinc/36/07/65/464360765.db2.gz ATMAYZOQAVOBLK-UHFFFAOYSA-N 1 0 332.360 2.187 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264606328 464391525 /nfs/dbraw/zinc/39/15/25/464391525.db2.gz YPFXLKBXKZLVDW-AWEZNQCLSA-N 1 0 333.388 2.060 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000180818835 464402012 /nfs/dbraw/zinc/40/20/12/464402012.db2.gz ZLMYRGYJLVSJPD-CYBMUJFWSA-N 1 0 332.404 2.125 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237984218 464415986 /nfs/dbraw/zinc/41/59/86/464415986.db2.gz RBCXBGUCHDFDJV-CQSZACIVSA-N 1 0 332.404 2.067 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000284993188 464418637 /nfs/dbraw/zinc/41/86/37/464418637.db2.gz APFVQSKCGBEIQI-AWEZNQCLSA-N 1 0 331.376 2.131 20 5 EEBDRO COCC[N@H+](C)CCCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000189431553 464501579 /nfs/dbraw/zinc/50/15/79/464501579.db2.gz MTQIHCOIESHVFA-UHFFFAOYSA-N 1 0 339.392 2.070 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000281557426 464502565 /nfs/dbraw/zinc/50/25/65/464502565.db2.gz YCHUMOFUXIVWAJ-HNNXBMFYSA-N 1 0 347.415 2.369 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000272188436 464511975 /nfs/dbraw/zinc/51/19/75/464511975.db2.gz MXDJFSHPLHMKSV-ZDUSSCGKSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000175553745 464573358 /nfs/dbraw/zinc/57/33/58/464573358.db2.gz OVYBCFLFPLVTBY-TZMCWYRMSA-N 1 0 332.404 2.361 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000190208560 464607854 /nfs/dbraw/zinc/60/78/54/464607854.db2.gz QJVYWXCSDXDOIY-OAHLLOKOSA-N 1 0 349.431 2.295 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272472635 464623801 /nfs/dbraw/zinc/62/38/01/464623801.db2.gz FUCKIZHCVCCLGJ-UHFFFAOYSA-N 1 0 349.416 2.156 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000294890246 464638960 /nfs/dbraw/zinc/63/89/60/464638960.db2.gz QTHXGRILCYZZTC-YJBOKZPZSA-N 1 0 347.459 2.352 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281983423 464658415 /nfs/dbraw/zinc/65/84/15/464658415.db2.gz WJDKOVRXFDMFCU-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO COC[C@@]1(C(=O)OC)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295142943 464721415 /nfs/dbraw/zinc/72/14/15/464721415.db2.gz ZWEKZXMIWDTQKT-QQOXCAACSA-N 1 0 334.372 2.120 20 5 EEBDRO C[NH+](C)C1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276109465 464811613 /nfs/dbraw/zinc/81/16/13/464811613.db2.gz ZXKJMZYZXQITKO-UHFFFAOYSA-N 1 0 327.331 2.287 20 5 EEBDRO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282456373 464825065 /nfs/dbraw/zinc/82/50/65/464825065.db2.gz MFNPAXARJZONOU-SNVBAGLBSA-N 1 0 333.310 2.136 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176695384 464828372 /nfs/dbraw/zinc/82/83/72/464828372.db2.gz XHTDQCPZSDUCOB-GJZGRUSLSA-N 1 0 349.431 2.143 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176889513 464877286 /nfs/dbraw/zinc/87/72/86/464877286.db2.gz COHFLBHKUHYNMA-LLVKDONJSA-N 1 0 343.811 2.335 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282618353 464886809 /nfs/dbraw/zinc/88/68/09/464886809.db2.gz ZPDORDUXIWUMMV-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249743515 464911143 /nfs/dbraw/zinc/91/11/43/464911143.db2.gz LCOUMBLYSXFQRQ-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192671820 464974774 /nfs/dbraw/zinc/97/47/74/464974774.db2.gz IISDSSYZXOCGKS-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261468 464996024 /nfs/dbraw/zinc/99/60/24/464996024.db2.gz ZIGPOUILBKPTBQ-BZNIZROVSA-N 1 0 344.415 2.382 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356750506 465518907 /nfs/dbraw/zinc/51/89/07/465518907.db2.gz ZMYHSOVKCIQQIN-GOSISDBHSA-N 1 0 342.399 2.347 20 5 EEBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591284979 468438512 /nfs/dbraw/zinc/43/85/12/468438512.db2.gz IEYJCKXWUVTKOH-CQSZACIVSA-N 1 0 341.367 2.256 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000299253623 465666543 /nfs/dbraw/zinc/66/65/43/465666543.db2.gz PZRABIXBERAIIF-QWRGUYRKSA-N 1 0 338.383 2.166 20 5 EEBDRO CSc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111453 465771527 /nfs/dbraw/zinc/77/15/27/465771527.db2.gz RSWHNPGXTPOXET-OLZOCXBDSA-N 1 0 335.429 2.435 20 5 EEBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000344888105 465797801 /nfs/dbraw/zinc/79/78/01/465797801.db2.gz KLFYGLSVHOVUKW-ZDUSSCGKSA-N 1 0 344.371 2.358 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000330919148 465860517 /nfs/dbraw/zinc/86/05/17/465860517.db2.gz YCRXKKKRJIVVQG-JQWIXIFHSA-N 1 0 325.796 2.390 20 5 EEBDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000338177611 465877551 /nfs/dbraw/zinc/87/75/51/465877551.db2.gz XREWPIXZKBXHNH-UHFFFAOYSA-N 1 0 343.383 2.318 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302038799 466084012 /nfs/dbraw/zinc/08/40/12/466084012.db2.gz GWTCMPLQNZQGOD-QGZVFWFLSA-N 1 0 342.399 2.477 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000591444693 468471229 /nfs/dbraw/zinc/47/12/29/468471229.db2.gz FRAQKVGMOQLTPG-MNOVXSKESA-N 1 0 333.417 2.425 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000331894306 466295460 /nfs/dbraw/zinc/29/54/60/466295460.db2.gz FVMXZXNHJSZREZ-UHFFFAOYSA-N 1 0 347.415 2.369 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854820 466352409 /nfs/dbraw/zinc/35/24/09/466352409.db2.gz BPGDMMJPZXLUSZ-ZDUSSCGKSA-N 1 0 336.392 2.054 20 5 EEBDRO CCN(C)[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1ccccc1 ZINC000347110306 466399829 /nfs/dbraw/zinc/39/98/29/466399829.db2.gz CESIRLAANYTMRH-GFCCVEGCSA-N 1 0 342.359 2.419 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000305743579 466445918 /nfs/dbraw/zinc/44/59/18/466445918.db2.gz UBYNXHAQDGIZGO-ROUUACIJSA-N 1 0 328.368 2.052 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ncc[nH]1 ZINC000367612778 466449488 /nfs/dbraw/zinc/44/94/88/466449488.db2.gz ROSKCCMJZPIFAN-CYBMUJFWSA-N 1 0 330.344 2.451 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358126719 466479452 /nfs/dbraw/zinc/47/94/52/466479452.db2.gz BJEZIBCMAVLNTH-ZDUSSCGKSA-N 1 0 334.420 2.391 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000367697229 466499301 /nfs/dbraw/zinc/49/93/01/466499301.db2.gz CBELLQBEXQHYDO-GFCCVEGCSA-N 1 0 331.332 2.226 20 5 EEBDRO Cc1c(CNC(=O)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000358232182 466560218 /nfs/dbraw/zinc/56/02/18/466560218.db2.gz ZENSUILMVDPCBK-UHFFFAOYSA-N 1 0 332.404 2.329 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000347327983 466569810 /nfs/dbraw/zinc/56/98/10/466569810.db2.gz YMFFIINLRANZSS-AWEZNQCLSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000372847946 466613757 /nfs/dbraw/zinc/61/37/57/466613757.db2.gz GDLFQYZFHRYYQH-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000591685115 468501926 /nfs/dbraw/zinc/50/19/26/468501926.db2.gz QZTHFODWZNRCMT-JSGCOSHPSA-N 1 0 343.387 2.028 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ncccc12 ZINC000368531934 466661685 /nfs/dbraw/zinc/66/16/85/466661685.db2.gz ANGNBERZNRYXRH-WBVHZDCISA-N 1 0 342.399 2.178 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415437592 466679555 /nfs/dbraw/zinc/67/95/55/466679555.db2.gz KTCIFJWOBITYDQ-SDDRHHMPSA-N 1 0 334.376 2.113 20 5 EEBDRO CN1CC[NH2+]C[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531257 466768554 /nfs/dbraw/zinc/76/85/54/466768554.db2.gz ZSKSFJFXGYBZIW-RBUKOAKNSA-N 1 0 340.427 2.177 20 5 EEBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000423712062 466810486 /nfs/dbraw/zinc/81/04/86/466810486.db2.gz UVIVKZCEBDVJIR-UHFFFAOYSA-N 1 0 329.809 2.288 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000411569366 466845169 /nfs/dbraw/zinc/84/51/69/466845169.db2.gz NIVMPCZGGZKGJG-GFCCVEGCSA-N 1 0 349.309 2.169 20 5 EEBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411615002 466855733 /nfs/dbraw/zinc/85/57/33/466855733.db2.gz LDLMOTZXPOWZOB-XJKCOSOUSA-N 1 0 335.404 2.405 20 5 EEBDRO CC[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417858206 466958724 /nfs/dbraw/zinc/95/87/24/466958724.db2.gz UVLPMKFDWNRPJC-FMKPAKJESA-N 1 0 332.404 2.297 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)[C@@H]3CCCOC3)co2)cc1 ZINC000411998202 466963614 /nfs/dbraw/zinc/96/36/14/466963614.db2.gz VQMMAASILXTKEP-CJNGLKHVSA-N 1 0 347.371 2.127 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCS(C)(=O)=O ZINC000424167172 466993966 /nfs/dbraw/zinc/99/39/66/466993966.db2.gz BYGOUERFOZAAHY-RAXLEYEMSA-N 1 0 326.418 2.413 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000374469301 467055127 /nfs/dbraw/zinc/05/51/27/467055127.db2.gz PNMWQGIPHYGOSP-BXUZGUMPSA-N 1 0 343.387 2.182 20 5 EEBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc21 ZINC000412380118 467077441 /nfs/dbraw/zinc/07/74/41/467077441.db2.gz QGAVCTDRZPMCKW-OAHLLOKOSA-N 1 0 342.355 2.497 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418421674 467108130 /nfs/dbraw/zinc/10/81/30/467108130.db2.gz IEPGNKDEPGISAP-GOEBONIOSA-N 1 0 334.420 2.296 20 5 EEBDRO COCCCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000419377502 467194834 /nfs/dbraw/zinc/19/48/34/467194834.db2.gz CFNOFNDHKGPJIE-UHFFFAOYSA-N 1 0 337.376 2.251 20 5 EEBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC(C)(C)C ZINC000451106197 467247517 /nfs/dbraw/zinc/24/75/17/467247517.db2.gz VZCOLNJNWHFQAB-QWRGUYRKSA-N 1 0 336.392 2.258 20 5 EEBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419803060 467252443 /nfs/dbraw/zinc/25/24/43/467252443.db2.gz BPYKCMNNBSSVGZ-CVEARBPZSA-N 1 0 334.372 2.466 20 5 EEBDRO Cc1sc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000429026893 467292671 /nfs/dbraw/zinc/29/26/71/467292671.db2.gz AIRRHXBQZHIRON-UHFFFAOYSA-N 1 0 347.400 2.022 20 5 EEBDRO O=C1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000433182910 467302910 /nfs/dbraw/zinc/30/29/10/467302910.db2.gz QBAHZBNBKGKHHZ-GFCCVEGCSA-N 1 0 346.412 2.477 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452113934 467328744 /nfs/dbraw/zinc/32/87/44/467328744.db2.gz IZGXFAYPOARUEW-CQSZACIVSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc(OCCN2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420406209 467397051 /nfs/dbraw/zinc/39/70/51/467397051.db2.gz QRMZEMMLDJRBFR-CQSZACIVSA-N 1 0 343.383 2.372 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434704759 467422343 /nfs/dbraw/zinc/42/23/43/467422343.db2.gz ZHDIUWMSSOSAPS-DCAQKATOSA-N 1 0 341.795 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420752436 467472510 /nfs/dbraw/zinc/47/25/10/467472510.db2.gz YIMMIIAYIRRIBY-UHFFFAOYSA-N 1 0 341.433 2.054 20 5 EEBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616196 467481016 /nfs/dbraw/zinc/48/10/16/467481016.db2.gz JPRPLPCKOQWYHM-AWEZNQCLSA-N 1 0 334.420 2.306 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449711281 467697361 /nfs/dbraw/zinc/69/73/61/467697361.db2.gz CZFRUHAHCIDUCC-HOSYDEDBSA-N 1 0 341.795 2.259 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000457957051 467739862 /nfs/dbraw/zinc/73/98/62/467739862.db2.gz PIZPIVLEPIHABS-SFHVURJKSA-N 1 0 346.431 2.265 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220431 467802031 /nfs/dbraw/zinc/80/20/31/467802031.db2.gz ZBJDZBGYTLEADP-INIZCTEOSA-N 1 0 348.447 2.323 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000531262706 468040521 /nfs/dbraw/zinc/04/05/21/468040521.db2.gz VDRGLFLREWSPSH-AWEZNQCLSA-N 1 0 346.431 2.393 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494281785 468042366 /nfs/dbraw/zinc/04/23/66/468042366.db2.gz ICTGAGGONQWRMW-ZBEGNZNMSA-N 1 0 337.376 2.089 20 5 EEBDRO COc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000551806775 468255965 /nfs/dbraw/zinc/25/59/65/468255965.db2.gz SSUVIJNJKDRELG-AWEZNQCLSA-N 1 0 332.356 2.133 20 5 EEBDRO CC[C@H](CN1CCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591742864 468512927 /nfs/dbraw/zinc/51/29/27/468512927.db2.gz NHSQFYBNMYAJAT-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594215685 468515264 /nfs/dbraw/zinc/51/52/64/468515264.db2.gz STXBCCJLUGEHTL-HOCLYGCPSA-N 1 0 332.404 2.411 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000591759477 468516461 /nfs/dbraw/zinc/51/64/61/468516461.db2.gz TWSLLNAPRATWIX-UKRRQHHQSA-N 1 0 326.418 2.210 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000597717132 468650135 /nfs/dbraw/zinc/65/01/35/468650135.db2.gz ZRHVUZNCHDTPHP-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO COC(=O)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC000600786662 468657286 /nfs/dbraw/zinc/65/72/86/468657286.db2.gz QXIFDMKWZXCLSH-UHFFFAOYSA-N 1 0 341.367 2.458 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570570550 468659470 /nfs/dbraw/zinc/65/94/70/468659470.db2.gz VICNFGSDJISYGY-UHFFFAOYSA-N 1 0 348.447 2.316 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255455 468665923 /nfs/dbraw/zinc/66/59/23/468665923.db2.gz PSQMWIVZOJPAPI-CHWSQXEVSA-N 1 0 349.435 2.122 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597855495 468693997 /nfs/dbraw/zinc/69/39/97/468693997.db2.gz RVMJIOAPDUKMFQ-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000600973502 468703062 /nfs/dbraw/zinc/70/30/62/468703062.db2.gz OKWFRKFMLYBBRK-UHFFFAOYSA-N 1 0 345.403 2.272 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555367 468729431 /nfs/dbraw/zinc/72/94/31/468729431.db2.gz XPYOKPZYZORPQE-QWHCGFSZSA-N 1 0 332.404 2.029 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000595007745 468742073 /nfs/dbraw/zinc/74/20/73/468742073.db2.gz JNDOURIGYFLRCQ-KGLIPLIRSA-N 1 0 337.420 2.222 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595102345 468759502 /nfs/dbraw/zinc/75/95/02/468759502.db2.gz KDHSVXPWHNCSCM-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000584350769 468852524 /nfs/dbraw/zinc/85/25/24/468852524.db2.gz BSZBHBQHELFCDS-DOTOQJQBSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000595480427 468871182 /nfs/dbraw/zinc/87/11/82/468871182.db2.gz JSCIQZVELGYFLU-HUUCEWRRSA-N 1 0 335.452 2.406 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000572524516 468946036 /nfs/dbraw/zinc/94/60/36/468946036.db2.gz VRWPKSRULIUJMR-QGZVFWFLSA-N 1 0 341.367 2.107 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000593451627 468985445 /nfs/dbraw/zinc/98/54/45/468985445.db2.gz MPOIDPAJUJMBTH-CQSZACIVSA-N 1 0 332.335 2.337 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOC(F)F)CC2)cn1 ZINC000602658609 468994642 /nfs/dbraw/zinc/99/46/42/468994642.db2.gz LZFHMPRPWWYTMF-UHFFFAOYSA-N 1 0 330.335 2.178 20 5 EEBDRO C[C@H](O)[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595766888 468997657 /nfs/dbraw/zinc/99/76/57/468997657.db2.gz SEQMQRYFTDDBSV-TVQRCGJNSA-N 1 0 327.768 2.032 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000610576960 469007933 /nfs/dbraw/zinc/00/79/33/469007933.db2.gz MZJYOEZPPMSQCP-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000598913823 469047383 /nfs/dbraw/zinc/04/73/83/469047383.db2.gz PBNRPUOIXAVCPR-AWEZNQCLSA-N 1 0 342.783 2.138 20 5 EEBDRO Cc1c(CNC(=O)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000573150021 469072117 /nfs/dbraw/zinc/07/21/17/469072117.db2.gz HIRKUEUTPUYSFR-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794320 469078782 /nfs/dbraw/zinc/07/87/82/469078782.db2.gz VIQHTVBGUBCCJP-MLGOLLRUSA-N 1 0 346.387 2.240 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000614938269 469100431 /nfs/dbraw/zinc/10/04/31/469100431.db2.gz FPICUXMLEZQAHG-LLVKDONJSA-N 1 0 336.392 2.455 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CC[C@H](O)C2)c2ccccc2)c1 ZINC000599093387 469117747 /nfs/dbraw/zinc/11/77/47/469117747.db2.gz POYRLVXEZBOXGG-OALUTQOASA-N 1 0 341.411 2.340 20 5 EEBDRO Cc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980500 469126463 /nfs/dbraw/zinc/12/64/63/469126463.db2.gz LTVDTEIHEPZSSG-SMDDNHRTSA-N 1 0 327.388 2.335 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CCSCC2)c1 ZINC000563001120 469131562 /nfs/dbraw/zinc/13/15/62/469131562.db2.gz ZZGFNOSCJMPCFN-AWEZNQCLSA-N 1 0 326.418 2.067 20 5 EEBDRO CC[N@H+](CCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000593788024 469137814 /nfs/dbraw/zinc/13/78/14/469137814.db2.gz VYLHRVHGVMIBJN-UHFFFAOYSA-N 1 0 337.424 2.401 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090498 469150704 /nfs/dbraw/zinc/15/07/04/469150704.db2.gz WKXAAOJGINYJMD-GXTWGEPZSA-N 1 0 327.388 2.819 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1C ZINC000611084825 469156430 /nfs/dbraw/zinc/15/64/30/469156430.db2.gz XOCCJHMFPGWRBC-CQSZACIVSA-N 1 0 346.431 2.361 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195907 469188872 /nfs/dbraw/zinc/18/88/72/469188872.db2.gz MIUBXBTYOKGKAB-GFCCVEGCSA-N 1 0 328.372 2.290 20 5 EEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611412246 469244424 /nfs/dbraw/zinc/24/44/24/469244424.db2.gz YXONUXZTUSUWNU-UHFFFAOYSA-N 1 0 326.422 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000611700231 469305148 /nfs/dbraw/zinc/30/51/48/469305148.db2.gz NGPDHWLQKLURJR-UHFFFAOYSA-N 1 0 336.355 2.260 20 5 EEBDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547698 469356307 /nfs/dbraw/zinc/35/63/07/469356307.db2.gz RSBWHLWMKMSXNS-MRXNPFEDSA-N 1 0 347.463 2.423 20 5 EEBDRO C[C@@H]1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602551058 469358311 /nfs/dbraw/zinc/35/83/11/469358311.db2.gz BOFUSUBUELJJKV-RKDXNWHRSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCOCC1 ZINC000602569291 469364797 /nfs/dbraw/zinc/36/47/97/469364797.db2.gz OZGHAGCVQWNLAR-ZDUSSCGKSA-N 1 0 334.420 2.363 20 5 EEBDRO CNc1ccc(C(=O)NCCc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000603497499 469403633 /nfs/dbraw/zinc/40/36/33/469403633.db2.gz KTFSTPFEOKBSEE-UHFFFAOYSA-N 1 0 343.387 2.142 20 5 EEBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508355 469485242 /nfs/dbraw/zinc/48/52/42/469485242.db2.gz FBCLDYHOZXHCQF-KBPBESRZSA-N 1 0 325.372 2.016 20 5 EEBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000604552350 469490848 /nfs/dbraw/zinc/49/08/48/469490848.db2.gz JUHBAODTPLFXCD-CYBMUJFWSA-N 1 0 344.415 2.396 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCCC[NH+](C)C)c1 ZINC000619583653 469645193 /nfs/dbraw/zinc/64/51/93/469645193.db2.gz VTQSBZGEGUQKOA-UHFFFAOYSA-N 1 0 337.420 2.472 20 5 EEBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc1OCc1ccccc1 ZINC000613179773 469649719 /nfs/dbraw/zinc/64/97/19/469649719.db2.gz AFZMJUDZNCRAKQ-GJZGRUSLSA-N 1 0 340.383 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871596 469693440 /nfs/dbraw/zinc/69/34/40/469693440.db2.gz PDSWSBIUONBMEE-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609268882 469911479 /nfs/dbraw/zinc/91/14/79/469911479.db2.gz HLTXMXDXHVNNMA-GFCCVEGCSA-N 1 0 341.795 2.089 20 5 EEBDRO CN(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000610337148 470004846 /nfs/dbraw/zinc/00/48/46/470004846.db2.gz OVJVQBCQTZKJGF-UHFFFAOYSA-N 1 0 348.447 2.456 20 5 EEBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000174529639 533882500 /nfs/dbraw/zinc/88/25/00/533882500.db2.gz WJIJREXTAFGLHA-MRXNPFEDSA-N 1 0 336.344 2.202 20 5 EEBDRO CC[N@H+](CCNc1c(Br)cncc1[N+](=O)[O-])C(C)C ZINC000357231926 521048416 /nfs/dbraw/zinc/04/84/16/521048416.db2.gz HCHGRXFWKTVJFJ-UHFFFAOYSA-N 1 0 331.214 2.316 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181235944 527974318 /nfs/dbraw/zinc/97/43/18/527974318.db2.gz QOZRJAMSMONVDC-ZDUSSCGKSA-N 1 0 334.420 2.275 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC1([NH+](C)C)CC1 ZINC000419006828 528192865 /nfs/dbraw/zinc/19/28/65/528192865.db2.gz IKQKQKAUPBJEEQ-UHFFFAOYSA-N 1 0 325.340 2.417 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000133137545 528271937 /nfs/dbraw/zinc/27/19/37/528271937.db2.gz CFIOPGNKYDQGLS-LBPRGKRZSA-N 1 0 348.359 2.474 20 5 EEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccsc1 ZINC000187773706 528742354 /nfs/dbraw/zinc/74/23/54/528742354.db2.gz WJFSGXOLFRKNCD-WFASDCNBSA-N 1 0 338.433 2.167 20 5 EEBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671039 529207370 /nfs/dbraw/zinc/20/73/70/529207370.db2.gz BNRCERNAHZGQBB-CVEARBPZSA-N 1 0 343.387 2.175 20 5 EEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773065611 577313696 /nfs/dbraw/zinc/31/36/96/577313696.db2.gz MGXYFKYEBAXAEW-OAHLLOKOSA-N 1 0 326.418 2.460 20 5 EEBDRO Cc1noc(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776578659 577463080 /nfs/dbraw/zinc/46/30/80/577463080.db2.gz HIPCQVZEBXLXGD-HNNXBMFYSA-N 1 0 332.360 2.199 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039947 577493339 /nfs/dbraw/zinc/49/33/39/577493339.db2.gz UIPBLPFAGFLVHJ-CQSZACIVSA-N 1 0 331.420 2.484 20 5 EEBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1F ZINC000759918686 577653939 /nfs/dbraw/zinc/65/39/39/577653939.db2.gz UFISFUMVEPKSQA-UHFFFAOYSA-N 1 0 333.323 2.025 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC(F)F)CC2)cc1 ZINC000760041683 577656254 /nfs/dbraw/zinc/65/62/54/577656254.db2.gz ZNQDUUBOTFIBBZ-LBPRGKRZSA-N 1 0 329.347 2.169 20 5 EEBDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743252114 577882211 /nfs/dbraw/zinc/88/22/11/577882211.db2.gz LMVJNVNEWHYDDF-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO C[NH+](C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000749154973 577971833 /nfs/dbraw/zinc/97/18/33/577971833.db2.gz OAWDNUNBZBORPP-UHFFFAOYSA-N 1 0 335.339 2.021 20 5 EEBDRO CC[NH+]1CCC(CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821241935 599046017 /nfs/dbraw/zinc/04/60/17/599046017.db2.gz QVQYTFFTAQJRBN-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000825860768 607542266 /nfs/dbraw/zinc/54/22/66/607542266.db2.gz WBPUHDDDEWAVAL-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001020806956 675508189 /nfs/dbraw/zinc/50/81/89/675508189.db2.gz JDTFSBGLADCFNG-JOCQHMNTSA-N 1 0 345.355 2.247 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804813538 675641834 /nfs/dbraw/zinc/64/18/34/675641834.db2.gz RKCHZEGGUQYZGD-JSGCOSHPSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1nscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021986352 676570175 /nfs/dbraw/zinc/57/01/75/676570175.db2.gz JBWQMSKTRHGYJB-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000891722849 676803410 /nfs/dbraw/zinc/80/34/10/676803410.db2.gz JZYROBXCTWMYBV-CQSZACIVSA-N 1 0 334.420 2.215 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935444365 680079372 /nfs/dbraw/zinc/07/93/72/680079372.db2.gz ZLBGOTHCMOVHPS-UHFFFAOYSA-N 1 0 344.774 2.136 20 5 EEBDRO CC(C)(F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000982978932 681606724 /nfs/dbraw/zinc/60/67/24/681606724.db2.gz DTPIKMBNUCNZGZ-HOMQSWHASA-N 1 0 329.397 2.389 20 5 EEBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1(F)F ZINC000894421744 682886635 /nfs/dbraw/zinc/88/66/35/682886635.db2.gz YCLGCNZONWTEHU-PWSUYJOCSA-N 1 0 348.733 2.435 20 5 EEBDRO CN(C)C(=O)c1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000894447717 682899854 /nfs/dbraw/zinc/89/98/54/682899854.db2.gz FTSPSXXXECSNOY-UHFFFAOYSA-N 1 0 342.399 2.262 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCO[C@H]3CCOC3)CC2)cc1 ZINC000119193696 683538422 /nfs/dbraw/zinc/53/84/22/683538422.db2.gz RYHBTPQTPYGFLC-SFHVURJKSA-N 1 0 349.431 2.349 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000179003774 683937195 /nfs/dbraw/zinc/93/71/95/683937195.db2.gz ICFXPYRFWJJDCJ-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000893262236 684363857 /nfs/dbraw/zinc/36/38/57/684363857.db2.gz IVLLLLFXODNLHK-SUMWQHHRSA-N 1 0 336.388 2.478 20 5 EEBDRO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CN(C)CCN1C ZINC000895247503 684384207 /nfs/dbraw/zinc/38/42/07/684384207.db2.gz UYWQXVYSERSHCV-GXFFZTMASA-N 1 0 335.433 2.251 20 5 EEBDRO CC(=O)N1C[C@@H]2C[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000895576274 684646263 /nfs/dbraw/zinc/64/62/63/684646263.db2.gz MUONMUQTQDOTRR-GPVDNBNFSA-N 1 0 329.400 2.408 20 5 EEBDRO C[C@H](C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893386441 685165131 /nfs/dbraw/zinc/16/51/31/685165131.db2.gz UDUCXTXJENDNCM-KBPBESRZSA-N 1 0 336.388 2.352 20 5 EEBDRO O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000985141224 685842586 /nfs/dbraw/zinc/84/25/86/685842586.db2.gz QWKSBJWDEFVATL-KOMQPUFPSA-N 1 0 342.399 2.150 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000897353634 687385484 /nfs/dbraw/zinc/38/54/84/687385484.db2.gz LTTVBCCIJZZYOS-GFCCVEGCSA-N 1 0 342.399 2.354 20 5 EEBDRO C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964296 688717145 /nfs/dbraw/zinc/71/71/45/688717145.db2.gz DLDQZQAFEKUYOP-IAGOWNOFSA-N 1 0 335.448 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+](C[C@H]3CCOC3)C3CC3)n2)cc1 ZINC000054495826 690843379 /nfs/dbraw/zinc/84/33/79/690843379.db2.gz GKURXSCMQUAJEN-CYBMUJFWSA-N 1 0 343.387 2.312 20 5 EEBDRO Cc1nc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c(C)c1Br ZINC001168230549 1187398625 /nfs/dbraw/zinc/39/86/25/1187398625.db2.gz CYBRFWDJOQLKKR-BDAKNGLRSA-N 1 0 347.188 2.481 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843818630 1188619894 /nfs/dbraw/zinc/61/98/94/1188619894.db2.gz PJIJKKCHHKGIBQ-LBPRGKRZSA-N 1 0 341.383 2.129 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2CCc3ccccc32)cc1 ZINC000905575717 1189784112 /nfs/dbraw/zinc/78/41/12/1189784112.db2.gz KCHRYYCXOGWVJW-SFHVURJKSA-N 1 0 327.384 2.281 20 5 EEBDRO CCc1ncsc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128894038 1195991693 /nfs/dbraw/zinc/99/16/93/1195991693.db2.gz DLGPGORZKKHVOV-UHFFFAOYSA-N 1 0 340.430 2.195 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccn[nH]1 ZINC001034598772 1196428184 /nfs/dbraw/zinc/42/81/84/1196428184.db2.gz LUQFJTLAZWUXJB-HDJSIYSDSA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034643632 1196464982 /nfs/dbraw/zinc/46/49/82/1196464982.db2.gz QCYZUGAFHBDSFE-BRSBDYLESA-N 1 0 345.443 2.486 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1C ZINC000888586185 1197867159 /nfs/dbraw/zinc/86/71/59/1197867159.db2.gz YDQMXBTVFJDROW-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO CC[S@](=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877042382 1199852701 /nfs/dbraw/zinc/85/27/01/1199852701.db2.gz VMQCXPSSMCZRKF-KRWDZBQOSA-N 1 0 341.252 2.277 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000877094682 1199861152 /nfs/dbraw/zinc/86/11/52/1199861152.db2.gz BEOJURYMHHXSJR-ZDUSSCGKSA-N 1 0 334.420 2.250 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877177628 1199875779 /nfs/dbraw/zinc/87/57/79/1199875779.db2.gz UPXVVHYRLOHXRI-HTRCEHHLSA-N 1 0 346.156 2.058 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]2C1 ZINC000812325128 1200640294 /nfs/dbraw/zinc/64/02/94/1200640294.db2.gz PTAXMGUNANRTOU-NEPJUHHUSA-N 1 0 328.372 2.100 20 5 EEBDRO C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCCOC2)O1 ZINC000794903579 1201451509 /nfs/dbraw/zinc/45/15/09/1201451509.db2.gz UWFYAUODYKYSJL-SUMWQHHRSA-N 1 0 346.387 2.172 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000883187389 1202028425 /nfs/dbraw/zinc/02/84/25/1202028425.db2.gz MYEAENOQLXHOLA-ZDUSSCGKSA-N 1 0 326.393 2.499 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000800153011 1202213761 /nfs/dbraw/zinc/21/37/61/1202213761.db2.gz PGXOASHJRRQUEH-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO CN(CC(=O)OCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000800174855 1202217024 /nfs/dbraw/zinc/21/70/24/1202217024.db2.gz GOAAQSJGWHGDNL-UHFFFAOYSA-N 1 0 335.404 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1 ZINC000886229698 1202482624 /nfs/dbraw/zinc/48/26/24/1202482624.db2.gz UTGRXRDZXCFJBR-DGCLKSJQSA-N 1 0 346.330 2.216 20 5 EEBDRO COc1ccc([C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000886309125 1202490653 /nfs/dbraw/zinc/49/06/53/1202490653.db2.gz UOLAYHTWTQVABU-INIZCTEOSA-N 1 0 328.372 2.145 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835969 1204722913 /nfs/dbraw/zinc/72/29/13/1204722913.db2.gz GRUXTJDKHBNLMN-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1ccc(N(C)CCCNC(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001095657810 1205905262 /nfs/dbraw/zinc/90/52/62/1205905262.db2.gz HGGWKLHSWSPVLJ-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCSCC1 ZINC000932615929 1207638375 /nfs/dbraw/zinc/63/83/75/1207638375.db2.gz LJBGBUYGPJBWOJ-UHFFFAOYSA-N 1 0 341.458 2.095 20 5 EEBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932973270 1207709318 /nfs/dbraw/zinc/70/93/18/1207709318.db2.gz XUQIQCSAOMCAKT-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933798439 1207844279 /nfs/dbraw/zinc/84/42/79/1207844279.db2.gz PGDZUYKYFDFRCH-XKQJLSEDSA-N 1 0 331.416 2.499 20 5 EEBDRO C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000935316174 1208131917 /nfs/dbraw/zinc/13/19/17/1208131917.db2.gz QLWDKLRBPBLNBS-VUCTXSBTSA-N 1 0 329.400 2.465 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778939431 1208410510 /nfs/dbraw/zinc/41/05/10/1208410510.db2.gz MSTAKIKXENUCSN-JTQLQIEISA-N 1 0 343.330 2.410 20 5 EEBDRO CCN(CCCNC(=O)C[NH+]1CCCC1)c1cc(C)ccc1[N+](=O)[O-] ZINC001095885661 1213918656 /nfs/dbraw/zinc/91/86/56/1213918656.db2.gz BDBZFMAWQAVCCR-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795701396 1214983255 /nfs/dbraw/zinc/98/32/55/1214983255.db2.gz COUJYWDVRWXNBH-XJKSGUPXSA-N 1 0 329.404 2.461 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)nc1 ZINC001020029512 1229448729 /nfs/dbraw/zinc/44/87/29/1229448729.db2.gz CVQGDPYPQQCTCG-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139327 1229505347 /nfs/dbraw/zinc/50/53/47/1229505347.db2.gz XLCZSKXJXPOGPO-QHSBEEBCSA-N 1 0 345.424 2.303 20 5 EEBDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900288106 1234163394 /nfs/dbraw/zinc/16/33/94/1234163394.db2.gz RDGIVZRLUMUEFQ-UHFFFAOYSA-N 1 0 348.447 2.017 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC001097078620 1243674313 /nfs/dbraw/zinc/67/43/13/1243674313.db2.gz UFCCYWOZRPDNOO-JOCQHMNTSA-N 1 0 349.435 2.088 20 5 EEBDRO CCCN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001101256725 1245580651 /nfs/dbraw/zinc/58/06/51/1245580651.db2.gz MYNPXHTVLGZOSQ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579221 1278143882 /nfs/dbraw/zinc/14/38/82/1278143882.db2.gz HYKPGWXHPDYYHE-BBRMVZONSA-N 1 0 348.447 2.471 20 5 EEBDRO Cc1cc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Br)c1 ZINC001226292832 1301338002 /nfs/dbraw/zinc/33/80/02/1301338002.db2.gz PYLJCETWNFYEBL-GFCCVEGCSA-N 1 0 345.257 2.429 20 5 EEBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858586193 1294159917 /nfs/dbraw/zinc/15/99/17/1294159917.db2.gz GXEWVRSTDTUWPF-IPYPFGDCSA-N 1 0 335.404 2.304 20 5 EEBDRO C[NH2+][C@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001217957216 1297535554 /nfs/dbraw/zinc/53/55/54/1297535554.db2.gz FHZHMLYROMYMNP-OTSSQURYSA-N 1 0 348.140 2.329 20 5 EEBDRO CC[NH+](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102196748 1300546004 /nfs/dbraw/zinc/54/60/04/1300546004.db2.gz XPFMJCMTQPVJOZ-CALCHBBNSA-N 1 0 346.431 2.116 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC(=O)OCc1ccc([N+](=O)[O-])cc1)C2 ZINC001224987163 1300812589 /nfs/dbraw/zinc/81/25/89/1300812589.db2.gz OJIVYFGSOWGTMH-ZSHCYNCHSA-N 1 0 334.372 2.280 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224990184 1300813248 /nfs/dbraw/zinc/81/32/48/1300813248.db2.gz VMODZVTUDHNECT-HWWDLCQESA-N 1 0 348.399 2.385 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227454201 1301835157 /nfs/dbraw/zinc/83/51/57/1301835157.db2.gz YOPCQZJLNSDEOG-GFCCVEGCSA-N 1 0 329.376 2.005 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228245681 1302174103 /nfs/dbraw/zinc/17/41/03/1302174103.db2.gz WFELOGXLYHSGCU-HBYGRHMLSA-N 1 0 344.371 2.353 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769022 1303700613 /nfs/dbraw/zinc/70/06/13/1303700613.db2.gz VURLEUZPHJISFV-WMLDXEAASA-N 1 0 343.431 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1Cl ZINC000783664760 1304321859 /nfs/dbraw/zinc/32/18/59/1304321859.db2.gz MWKSZFNXQJMIIR-NSHDSACASA-N 1 0 332.809 2.305 20 5 EEBDRO C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001120544120 1309604521 /nfs/dbraw/zinc/60/45/21/1309604521.db2.gz NZTKBFYVYUGNNI-ZDUSSCGKSA-N 1 0 334.420 2.387 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC(F)(F)CN1)CC2 ZINC001246094681 1310234786 /nfs/dbraw/zinc/23/47/86/1310234786.db2.gz XHCSBGRVSKCPPC-KBPBESRZSA-N 1 0 325.359 2.429 20 5 EEBDRO [NH3+][C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(F)(F)C1 ZINC001246574574 1310347120 /nfs/dbraw/zinc/34/71/20/1310347120.db2.gz NMMWQUBBRUCNBH-LBPRGKRZSA-N 1 0 340.374 2.232 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1F ZINC001246666727 1310374683 /nfs/dbraw/zinc/37/46/83/1310374683.db2.gz RPPCRKLRPMWNID-XWCIJXRUSA-N 1 0 337.395 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc(I)c(OC[C@H]2CC[NH2+]C2)c1 ZINC000830375713 1314535466 /nfs/dbraw/zinc/53/54/66/1314535466.db2.gz UVTMMMFMSXYWFZ-QMMMGPOBSA-N 1 0 348.140 2.188 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000834642598 1314856673 /nfs/dbraw/zinc/85/66/73/1314856673.db2.gz SMMSFOAKBMYEBZ-GXFFZTMASA-N 1 0 336.348 2.011 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C[C@@H]21 ZINC000840133052 1315303954 /nfs/dbraw/zinc/30/39/54/1315303954.db2.gz OASRHQZBJRCTJS-YGRLFVJLSA-N 1 0 335.795 2.191 20 5 EEBDRO [NH3+]CCOc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000841052898 1315463158 /nfs/dbraw/zinc/46/31/58/1315463158.db2.gz IGYIAJAQJPMNRM-UHFFFAOYSA-N 1 0 345.355 2.316 20 5 EEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000841161127 1315493468 /nfs/dbraw/zinc/49/34/68/1315493468.db2.gz KAMYUEJPCVGBDI-SECBINFHSA-N 1 0 343.181 2.231 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000842483086 1315714271 /nfs/dbraw/zinc/71/42/71/1315714271.db2.gz GHAPOLNQIOYLJY-LBPRGKRZSA-N 1 0 349.840 2.208 20 5 EEBDRO Cc1nc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1[C@H](C)O ZINC000843107575 1315843910 /nfs/dbraw/zinc/84/39/10/1315843910.db2.gz SGQWOYJWSCSORB-SJCJKPOMSA-N 1 0 331.372 2.175 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C3(C[NH3+])CCCC3)n2)c1 ZINC000843223311 1315870739 /nfs/dbraw/zinc/87/07/39/1315870739.db2.gz PPYDHOLQBROCHL-UHFFFAOYSA-N 1 0 332.360 2.348 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843345741 1315894940 /nfs/dbraw/zinc/89/49/40/1315894940.db2.gz BRIJLAPGTJDJCV-MNOVXSKESA-N 1 0 336.348 2.011 20 5 EEBDRO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[NH2+]C1 ZINC000843349272 1315896171 /nfs/dbraw/zinc/89/61/71/1315896171.db2.gz QHTAGFHETCBRDO-ZDUSSCGKSA-N 1 0 338.383 2.136 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843365145 1315901339 /nfs/dbraw/zinc/90/13/39/1315901339.db2.gz CZPQNCKDVCHWBT-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO COc1ccnc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249341770 1317057614 /nfs/dbraw/zinc/05/76/14/1317057614.db2.gz AAUZHZQVFDSFLI-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO CNC(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001254468120 1318081812 /nfs/dbraw/zinc/08/18/12/1318081812.db2.gz FMNQNVVJHQBZTE-MRXNPFEDSA-N 1 0 348.447 2.314 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCN4CCC3CC4)CC2)cc1 ZINC001254479551 1318083545 /nfs/dbraw/zinc/08/35/45/1318083545.db2.gz FDOUYRMSBDXFAO-UHFFFAOYSA-N 1 0 330.432 2.344 20 5 EEBDRO CCOC(=O)c1cn([C@H](C)Cc2ccccc2[N+](=O)[O-])nc1C[NH3+] ZINC001254550862 1318118022 /nfs/dbraw/zinc/11/80/22/1318118022.db2.gz SQJXLJZAPLMERS-LLVKDONJSA-N 1 0 332.360 2.230 20 5 EEBDRO CCO[C@@H]1C[C@H]2CN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC[N@@H+]2C1 ZINC001254556927 1318120679 /nfs/dbraw/zinc/12/06/79/1318120679.db2.gz NHCDWJORLKVGFY-BHYGNILZSA-N 1 0 333.432 2.321 20 5 EEBDRO N=c1sc2c(n1[C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC[C@H]([NH3+])C2 ZINC001254585305 1318133000 /nfs/dbraw/zinc/13/30/00/1318133000.db2.gz VFOCFZROWSUEAD-AAEUAGOBSA-N 1 0 330.413 2.093 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590383 1318136616 /nfs/dbraw/zinc/13/66/16/1318136616.db2.gz WOPKEJFWCXAXKN-DOTOQJQBSA-N 1 0 327.384 2.209 20 5 EEBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608379 1318141585 /nfs/dbraw/zinc/14/15/85/1318141585.db2.gz RBCDYPYBQJIBKU-YJOCZYATSA-N 1 0 330.384 2.336 20 5 EEBDRO N=C(NCCCC[NH3+])Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001157097149 1318399587 /nfs/dbraw/zinc/39/95/87/1318399587.db2.gz SRNNRVRZOKVQQT-UHFFFAOYSA-N 1 0 336.783 2.472 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC1(C)CC[NH2+]CC1 ZINC001157396859 1318603250 /nfs/dbraw/zinc/60/32/50/1318603250.db2.gz KBNUEWGCMFLFHC-UHFFFAOYSA-N 1 0 342.783 2.374 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CCC[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256092400 1318644212 /nfs/dbraw/zinc/64/42/12/1318644212.db2.gz LVUVCUUTLSWPSN-BBRMVZONSA-N 1 0 349.431 2.323 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@H]4OCC[C@H]43)CC2)ccc1[N+](=O)[O-] ZINC001256094198 1318645827 /nfs/dbraw/zinc/64/58/27/1318645827.db2.gz VIEIXZFQYFRQJY-NVXWUHKLSA-N 1 0 347.415 2.435 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]2C1 ZINC001157689170 1318798761 /nfs/dbraw/zinc/79/87/61/1318798761.db2.gz HEDQTQXSFMZEEE-STQMWFEESA-N 1 0 327.388 2.316 20 5 EEBDRO CCOc1nc(-n2cnc(C)c2CSCC[NH3+])ccc1[N+](=O)[O-] ZINC001157962814 1318949372 /nfs/dbraw/zinc/94/93/72/1318949372.db2.gz AEVCYBODBBRPBS-UHFFFAOYSA-N 1 0 337.405 2.075 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159544852 1319873576 /nfs/dbraw/zinc/87/35/76/1319873576.db2.gz BSGLILCUSWOVPN-UHFFFAOYSA-N 1 0 346.431 2.271 20 5 EEBDRO Cc1c(F)cnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001162958247 1320996743 /nfs/dbraw/zinc/99/67/43/1320996743.db2.gz HISKZOJETNKVKC-LBPRGKRZSA-N 1 0 338.383 2.398 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NCC[C@H]3C[NH2+]Cc4cccn4C3)ccc12 ZINC001163049764 1321023371 /nfs/dbraw/zinc/02/33/71/1321023371.db2.gz KZOPGCPPZGDCKV-LBPRGKRZSA-N 1 0 340.387 2.494 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1NC[C@H](O)COc1ccccc1)C[NH2+]C2 ZINC001163813080 1321222979 /nfs/dbraw/zinc/22/29/79/1321222979.db2.gz VKVAGZBFOZMUST-AWEZNQCLSA-N 1 0 329.356 2.050 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164469062 1321388208 /nfs/dbraw/zinc/38/82/08/1321388208.db2.gz WRRQGNTWRAZSIW-YUMQZZPRSA-N 1 0 331.829 2.324 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001165195445 1321469421 /nfs/dbraw/zinc/46/94/21/1321469421.db2.gz SFEXOJLLONNJOM-LIMRBJFSSA-N 1 0 345.447 2.300 20 5 EEBDRO C[N@H+](C1CN(c2nccc3cc([N+](=O)[O-])ccc32)C1)[C@@H]1CCOC1 ZINC001165206069 1321472267 /nfs/dbraw/zinc/47/22/67/1321472267.db2.gz RSSUYSCTNFPBNQ-CQSZACIVSA-N 1 0 328.372 2.052 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(C[NH3+])CC2)n1 ZINC001165263287 1321485727 /nfs/dbraw/zinc/48/57/27/1321485727.db2.gz VYHARWYVBLVXJJ-UHFFFAOYSA-N 1 0 335.792 2.027 20 5 EEBDRO Cc1ccoc1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001166270716 1321689642 /nfs/dbraw/zinc/68/96/42/1321689642.db2.gz SRXNJNIWYKGCQK-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO C[NH+]1CCN(c2cncc(Nc3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC001209934280 1325103926 /nfs/dbraw/zinc/10/39/26/1325103926.db2.gz MMAZWXBUWRRVKS-UHFFFAOYSA-N 1 0 328.376 2.067 20 5 EEBDRO COCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001316618725 1325677066 /nfs/dbraw/zinc/67/70/66/1325677066.db2.gz UHSLXARDVYFMRV-OTVXOJSOSA-N 1 0 347.415 2.006 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318389278 1332521863 /nfs/dbraw/zinc/52/18/63/1332521863.db2.gz FBHSCBFBBICQMW-QWHCGFSZSA-N 1 0 341.433 2.054 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)cc1[N+](=O)[O-] ZINC001320888283 1332972495 /nfs/dbraw/zinc/97/24/95/1332972495.db2.gz PWVXIQVYSGWOCZ-OAHLLOKOSA-N 1 0 338.404 2.118 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001321267115 1333059231 /nfs/dbraw/zinc/05/92/31/1333059231.db2.gz FEGJXKBEGFLJRU-HOCLYGCPSA-N 1 0 335.404 2.271 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001330819022 1334909059 /nfs/dbraw/zinc/90/90/59/1334909059.db2.gz OOOZYXFZTRLDIJ-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[NH+]1CCN(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001332182690 1335755220 /nfs/dbraw/zinc/75/52/20/1335755220.db2.gz GCMPGTDIQYEKQA-UHFFFAOYSA-N 1 0 332.326 2.273 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCCCCC[NH+]1CCCC1 ZINC001609601730 1352031658 /nfs/dbraw/zinc/03/16/58/1352031658.db2.gz XEDYRWYPLINYEJ-UHFFFAOYSA-N 1 0 345.407 2.453 20 5 EEBDRO CC[N@@H+]1CCN(c2nnc(-c3cc(C)cc([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC001339172877 1336970754 /nfs/dbraw/zinc/97/07/54/1336970754.db2.gz JXBCORDQQFQUNF-CYBMUJFWSA-N 1 0 344.419 2.229 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001339467608 1337009468 /nfs/dbraw/zinc/00/94/68/1337009468.db2.gz ORDDYQJEHZRZFJ-GUTXKFCHSA-N 1 0 348.451 2.089 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001345810893 1337468585 /nfs/dbraw/zinc/46/85/85/1337468585.db2.gz UUEJUMYOYBJIRH-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350224831 1337683764 /nfs/dbraw/zinc/68/37/64/1337683764.db2.gz ZJJXTCTZRGZVCG-SHHSBJBSSA-N 1 0 330.388 2.151 20 5 EEBDRO CC[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC001577279661 1344119905 /nfs/dbraw/zinc/11/99/05/1344119905.db2.gz NIVRPEVLSQMRCC-DGCLKSJQSA-N 1 0 330.388 2.010 20 5 EEBDRO CCOc1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001578168314 1344244368 /nfs/dbraw/zinc/24/43/68/1344244368.db2.gz GHZMFVBDHVAAIZ-MRXNPFEDSA-N 1 0 334.376 2.211 20 5 EEBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001578675483 1344294141 /nfs/dbraw/zinc/29/41/41/1344294141.db2.gz OUUZHAGRQYHRSP-CQSZACIVSA-N 1 0 335.404 2.137 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001579465593 1344385565 /nfs/dbraw/zinc/38/55/65/1344385565.db2.gz LEVJJSZXTWGDGV-SVGQVSJJSA-N 1 0 336.150 2.378 20 5 EEBDRO Nc1ccc(C(=O)N2CCCc3cc(CC[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001580316320 1344509850 /nfs/dbraw/zinc/50/98/50/1344509850.db2.gz IXJHRODYOWUNEA-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589134567 1348962686 /nfs/dbraw/zinc/96/26/86/1348962686.db2.gz DVGUXQHJBUKFKZ-VIFPVBQESA-N 1 0 349.370 2.199 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590731853 1349394028 /nfs/dbraw/zinc/39/40/28/1349394028.db2.gz AAAAMJUTENTADL-GFCCVEGCSA-N 1 0 345.407 2.227 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863548755 1369565844 /nfs/dbraw/zinc/56/58/44/1369565844.db2.gz VYNODNZFNBLOAE-CQSZACIVSA-N 1 0 340.811 2.117 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000828833521 1372252871 /nfs/dbraw/zinc/25/28/71/1372252871.db2.gz HFYVDVSSDCSVGY-LLVKDONJSA-N 1 0 338.383 2.014 20 5 EEBDRO C[C@@H]1[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000839536230 1372908888 /nfs/dbraw/zinc/90/88/88/1372908888.db2.gz LRSALAOXGUTPQY-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H](c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001346938803 1372973154 /nfs/dbraw/zinc/97/31/54/1372973154.db2.gz VCGHNDKWHCTUCW-ZFWWWQNUSA-N 1 0 348.451 2.090 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc(Cl)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753063620 1406656723 /nfs/dbraw/zinc/65/67/23/1406656723.db2.gz YQAYYNAIACBDFU-UHFFFAOYSA-N 1 0 336.779 2.438 20 5 EEBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001576820471 1403609187 /nfs/dbraw/zinc/60/91/87/1403609187.db2.gz UYBBVHXRGPLZJY-JHJVBQTASA-N 1 0 344.419 2.293 20 5 EEBDRO O=C(NC[C@@H]1CC[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001580660788 1403865837 /nfs/dbraw/zinc/86/58/37/1403865837.db2.gz GPCVHQYQESUJCJ-AWEZNQCLSA-N 1 0 326.356 2.430 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2C2CC2)CC1 ZINC000981138178 776584681 /nfs/dbraw/zinc/58/46/81/776584681.db2.gz OSBBRXRNPMKNII-QZTJIDSGSA-N 1 0 343.427 2.264 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC000981765187 778161569 /nfs/dbraw/zinc/16/15/69/778161569.db2.gz TYKKZUCZOVXYIB-IAGOWNOFSA-N 1 0 347.459 2.467 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@](C)(C[NH3+])C1 ZINC000261651752 779660277 /nfs/dbraw/zinc/66/02/77/779660277.db2.gz HJKNOEMZGKKDEZ-MEBBXXQBSA-N 1 0 340.811 2.246 20 5 EEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000893938140 780320595 /nfs/dbraw/zinc/32/05/95/780320595.db2.gz BSBWYUOBKAWLJJ-RNCFNFMXSA-N 1 0 326.194 2.498 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170873934 784866017 /nfs/dbraw/zinc/86/60/17/784866017.db2.gz MDWJCCJTVZHRFG-MWLCHTKSSA-N 1 0 347.293 2.177 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017318 785144879 /nfs/dbraw/zinc/14/48/79/785144879.db2.gz AZEAQOGAHJERMD-SFHVURJKSA-N 1 0 344.415 2.163 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000818340718 785245624 /nfs/dbraw/zinc/24/56/24/785245624.db2.gz RFJWWMFZTSOPGJ-GHMZBOCLSA-N 1 0 326.784 2.046 20 5 EEBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818522950 785271414 /nfs/dbraw/zinc/27/14/14/785271414.db2.gz LUUUJQRPTSCTGO-HNNXBMFYSA-N 1 0 338.364 2.223 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000818554001 785291259 /nfs/dbraw/zinc/29/12/59/785291259.db2.gz FRJIEUKFVYVMJK-IUCAKERBSA-N 1 0 329.759 2.139 20 5 EEBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCCCCC[NH3+])C1=O ZINC000818617700 785304169 /nfs/dbraw/zinc/30/41/69/785304169.db2.gz HPZGCGDONHSADE-QGZVFWFLSA-N 1 0 348.403 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)cc1 ZINC000819068090 785410319 /nfs/dbraw/zinc/41/03/19/785410319.db2.gz FKKWBYQGSMTELB-KRWDZBQOSA-N 1 0 328.368 2.395 20 5 EEBDRO O=C(CC[NH2+]C[C@H]1COC2(CCCC2)O1)Nc1ccccc1[N+](=O)[O-] ZINC000819206418 785455707 /nfs/dbraw/zinc/45/57/07/785455707.db2.gz ZVVNKDLAWWDVAC-ZDUSSCGKSA-N 1 0 349.387 2.199 20 5 EEBDRO COCC[C@@H](Cc1ccco1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819222208 785477032 /nfs/dbraw/zinc/47/70/32/785477032.db2.gz UJHFIWFVIBDUHO-YOEHRIQHSA-N 1 0 334.372 2.459 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790802 787380553 /nfs/dbraw/zinc/38/05/53/787380553.db2.gz LUWGBAJXBADDJF-RYUDHWBXSA-N 1 0 331.376 2.488 20 5 EEBDRO Cc1ccnc(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)c1[N+](=O)[O-] ZINC001109653289 805831611 /nfs/dbraw/zinc/83/16/11/805831611.db2.gz QPBRMLIFFKXBSP-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Nc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000823933881 787992420 /nfs/dbraw/zinc/99/24/20/787992420.db2.gz YQVJJFKRIAKCSD-UHFFFAOYSA-N 1 0 333.392 2.315 20 5 EEBDRO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000825046486 788414702 /nfs/dbraw/zinc/41/47/02/788414702.db2.gz URPXOXJCMOKFFV-IOASZLSFSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000991417777 788498697 /nfs/dbraw/zinc/49/86/97/788498697.db2.gz UYTSJHKQLPXSIB-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO C[C@@H]1CCC[C@@](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000825384011 788602198 /nfs/dbraw/zinc/60/21/98/788602198.db2.gz FFVVAWYECSHUHZ-RPVQJOFSSA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825394330 788609327 /nfs/dbraw/zinc/60/93/27/788609327.db2.gz ZJFALDSQTWSSCS-BBRMVZONSA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000845668653 789915643 /nfs/dbraw/zinc/91/56/43/789915643.db2.gz XTPTVTZTIWGKCC-ZDUSSCGKSA-N 1 0 344.371 2.422 20 5 EEBDRO CC(C)(C)c1ocnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147130430 791685793 /nfs/dbraw/zinc/68/57/93/791685793.db2.gz ATUCLZSBRKNFDB-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000173532870 791862906 /nfs/dbraw/zinc/86/29/06/791862906.db2.gz XQKXAGYRRZEPET-OAHLLOKOSA-N 1 0 329.404 2.345 20 5 EEBDRO Cc1ccc(NCCNC(=O)C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001094140913 795991237 /nfs/dbraw/zinc/99/12/37/795991237.db2.gz ZQAKSEXVRHTUTQ-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1ccc(NCCNC(=O)C[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001094141200 795992153 /nfs/dbraw/zinc/99/21/53/795992153.db2.gz KBRUBOIBTCFGJL-UHFFFAOYSA-N 1 0 336.436 2.409 20 5 EEBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900452 797129000 /nfs/dbraw/zinc/12/90/00/797129000.db2.gz DZRRUQJZQOVUMY-OIISXLGYSA-N 1 0 348.399 2.010 20 5 EEBDRO CC[C@@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006839 797193671 /nfs/dbraw/zinc/19/36/71/797193671.db2.gz DSMMILZMCZVBRK-JTQLQIEISA-N 1 0 329.347 2.202 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3C[C@H](CO)C3)CC2)c(F)c1 ZINC001173009783 797195369 /nfs/dbraw/zinc/19/53/69/797195369.db2.gz CCCMETJTYUFATQ-UMSPYCQHSA-N 1 0 341.358 2.202 20 5 EEBDRO O=C1CC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173011440 797195712 /nfs/dbraw/zinc/19/57/12/797195712.db2.gz DDSMPKUHBYPQLQ-UHFFFAOYSA-N 1 0 325.315 2.163 20 5 EEBDRO CCOC(=O)CN1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221336 797302506 /nfs/dbraw/zinc/30/25/06/797302506.db2.gz LZHDDDIZNMLTSF-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO C[N@H+](CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001110357711 802347981 /nfs/dbraw/zinc/34/79/81/802347981.db2.gz GVAVMKZAUUFLRX-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cncs1 ZINC001086318089 802732103 /nfs/dbraw/zinc/73/21/03/802732103.db2.gz RUZFJSSYYNLGQJ-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001168979861 803544178 /nfs/dbraw/zinc/54/41/78/803544178.db2.gz BNQQMLJSSCFYGP-KANFNMMFSA-N 1 0 347.459 2.311 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965148 803552834 /nfs/dbraw/zinc/55/28/34/803552834.db2.gz YJKZPQMLQAHEQF-ZENOOKHLSA-N 1 0 327.425 2.421 20 5 EEBDRO O=C(Nc1ccccc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037969 803581849 /nfs/dbraw/zinc/58/18/49/803581849.db2.gz UMJPKUGKPVGJFS-ZBFHGGJFSA-N 1 0 332.404 2.282 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)C1 ZINC001169017519 803586462 /nfs/dbraw/zinc/58/64/62/803586462.db2.gz AGMLSBVTPANWPD-SRIISGBFSA-N 1 0 347.415 2.138 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCCN3c3ncccn3)CC2)C1 ZINC001169018476 803587159 /nfs/dbraw/zinc/58/71/59/803587159.db2.gz COACGJPRYNTUDW-CVEARBPZSA-N 1 0 345.447 2.357 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(CC)c21 ZINC001169019743 803587919 /nfs/dbraw/zinc/58/79/19/803587919.db2.gz JEMHBRKDDKCQCL-VNQPRFMTSA-N 1 0 336.436 2.284 20 5 EEBDRO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169019451 803587944 /nfs/dbraw/zinc/58/79/44/803587944.db2.gz IDLGQOWVFBBRSB-RCCFBDPRSA-N 1 0 339.480 2.255 20 5 EEBDRO O=C1N[C@H](c2ccccc2)C12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169023308 803589249 /nfs/dbraw/zinc/58/92/49/803589249.db2.gz FHOIUHXYHIZQRD-HYVNUMGLSA-N 1 0 343.427 2.385 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)C1 ZINC001169025893 803591171 /nfs/dbraw/zinc/59/11/71/803591171.db2.gz ZTVBDAMTLMNOJE-IXDOHACOSA-N 1 0 338.448 2.482 20 5 EEBDRO O=C(Cc1ccccc1)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169047032 803593039 /nfs/dbraw/zinc/59/30/39/803593039.db2.gz QAELIGPWQJWEEH-ZWKOTPCHSA-N 1 0 345.443 2.209 20 5 EEBDRO O=[N+]([O-])c1c(NCc2ncn3c2C[NH2+]CCC3)ccc2ncccc21 ZINC001169242468 803667099 /nfs/dbraw/zinc/66/70/99/803667099.db2.gz LOUWRIYFAOBDSN-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO Cc1ccc(NCCCN(C)C(=O)C23CC[NH+](CC2)C3)c([N+](=O)[O-])c1 ZINC001109485639 805541598 /nfs/dbraw/zinc/54/15/98/805541598.db2.gz LFDNXPISOAQXMT-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437689 807514470 /nfs/dbraw/zinc/51/44/70/807514470.db2.gz SNTNNONAXJABBA-WDVBMNPBSA-N 1 0 342.465 2.412 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791327431 809182078 /nfs/dbraw/zinc/18/20/78/809182078.db2.gz DHRPUDGPIHMSMA-UHFFFAOYSA-N 1 0 338.383 2.309 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])O1 ZINC001170271447 809857310 /nfs/dbraw/zinc/85/73/10/809857310.db2.gz ZTYOOKQBFHYIGU-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001170297701 809870585 /nfs/dbraw/zinc/87/05/85/809870585.db2.gz QTAODWCAJDCLJC-ZDUSSCGKSA-N 1 0 335.404 2.137 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313682 809886132 /nfs/dbraw/zinc/88/61/32/809886132.db2.gz PSDRJGUYPRRGBX-DFBGVHRSSA-N 1 0 336.388 2.466 20 5 EEBDRO C[NH+](C)CCOc1cc(CNc2ccc(N)cc2[N+](=O)[O-])ccn1 ZINC000804582637 810952103 /nfs/dbraw/zinc/95/21/03/810952103.db2.gz CAWLSJWWUYEOGK-UHFFFAOYSA-N 1 0 331.376 2.125 20 5 EEBDRO Cc1cc(C)nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001130666793 811904040 /nfs/dbraw/zinc/90/40/40/811904040.db2.gz XUWOFLHILFVAHM-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO O=C(COC1CCCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130685792 811931050 /nfs/dbraw/zinc/93/10/50/811931050.db2.gz KXHLVPLUMZAXOT-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO COc1ccc(C)cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130981705 812259770 /nfs/dbraw/zinc/25/97/70/812259770.db2.gz XDBPUZMBBNXOFM-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000051160111 214080748 /nfs/dbraw/zinc/08/07/48/214080748.db2.gz AQZFKGHGUMLLIS-UHFFFAOYSA-N 1 0 347.415 2.438 20 5 EEBDRO CCc1cc(N2CCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420169147 529531989 /nfs/dbraw/zinc/53/19/89/529531989.db2.gz QCRDBQBPECWBRM-UHFFFAOYSA-N 1 0 327.388 2.414 20 5 EEBDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181228615 529591963 /nfs/dbraw/zinc/59/19/63/529591963.db2.gz OGPHYXGMYVUJOY-AWEZNQCLSA-N 1 0 326.418 2.460 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000181581075 234240679 /nfs/dbraw/zinc/24/06/79/234240679.db2.gz VSAWBSMZHIMXBR-CYBMUJFWSA-N 1 0 327.768 2.201 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1[N+](=O)[O-] ZINC000181811262 234332541 /nfs/dbraw/zinc/33/25/41/234332541.db2.gz QNRVPGHCZKROKS-GFCCVEGCSA-N 1 0 346.343 2.324 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000193498437 240191514 /nfs/dbraw/zinc/19/15/14/240191514.db2.gz DRVOQZYDNNMAJS-SWLSCSKDSA-N 1 0 332.404 2.065 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000426208239 241234802 /nfs/dbraw/zinc/23/48/02/241234802.db2.gz BRERKGWBTFEJFT-APHBMKBZSA-N 1 0 335.404 2.466 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O)(C(F)F)CC2)cc1 ZINC000426207753 241238193 /nfs/dbraw/zinc/23/81/93/241238193.db2.gz XSGCTPZWTPJJLI-UHFFFAOYSA-N 1 0 330.331 2.456 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC([NH3+])CC2)CC1 ZINC000236665138 242312152 /nfs/dbraw/zinc/31/21/52/242312152.db2.gz XWVXPOIXCYMAQZ-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236849804 242382866 /nfs/dbraw/zinc/38/28/66/242382866.db2.gz JZGQDCCFTGVCRC-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451626939 243183302 /nfs/dbraw/zinc/18/33/02/243183302.db2.gz ANFDDAXSGUCHRK-UKRRQHHQSA-N 1 0 337.376 2.089 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158393567 296206374 /nfs/dbraw/zinc/20/63/74/296206374.db2.gz BOYAGBXWOXURSU-AWEZNQCLSA-N 1 0 343.305 2.439 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000265128128 247229000 /nfs/dbraw/zinc/22/90/00/247229000.db2.gz MAMSAOBWOJZLQU-HOTGVXAUSA-N 1 0 333.388 2.485 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087293 248087330 /nfs/dbraw/zinc/08/73/30/248087330.db2.gz OBSZYPXJAHYNST-BXUZGUMPSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000266398733 248281811 /nfs/dbraw/zinc/28/18/11/248281811.db2.gz PACNFFWVGKSSFK-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000269374081 255571868 /nfs/dbraw/zinc/57/18/68/255571868.db2.gz MZNNUESOGYACHL-UHFFFAOYSA-N 1 0 337.424 2.437 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000117762403 221087351 /nfs/dbraw/zinc/08/73/51/221087351.db2.gz CPCIMWPJTYBERQ-NSHDSACASA-N 1 0 337.807 2.391 20 5 EEBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419606 256133461 /nfs/dbraw/zinc/13/34/61/256133461.db2.gz GIWUSFGTNLLWMC-PXAZEXFGSA-N 1 0 349.387 2.245 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000273391318 256292209 /nfs/dbraw/zinc/29/22/09/256292209.db2.gz IBIMKTBYSMMJRY-JFUSQASVSA-N 1 0 343.305 2.423 20 5 EEBDRO COCCOCCOCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000274475705 256374609 /nfs/dbraw/zinc/37/46/09/256374609.db2.gz ZXAYKFULVMEQQM-UHFFFAOYSA-N 1 0 346.811 2.408 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277157245 256501999 /nfs/dbraw/zinc/50/19/99/256501999.db2.gz JZZIKGDRKALRQJ-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842601 159368749 /nfs/dbraw/zinc/36/87/49/159368749.db2.gz SVSUTVUQFMGGDY-UONOGXRCSA-N 1 0 334.420 2.195 20 5 EEBDRO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000153567275 159679677 /nfs/dbraw/zinc/67/96/77/159679677.db2.gz RCVSTHKUUHZCHG-UHFFFAOYSA-N 1 0 328.372 2.309 20 5 EEBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000160323602 159708419 /nfs/dbraw/zinc/70/84/19/159708419.db2.gz HCOCSGIWYMHDRH-JKSUJKDBSA-N 1 0 341.415 2.420 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000245904652 160256608 /nfs/dbraw/zinc/25/66/08/160256608.db2.gz UQDCIECYEULPST-CHWSQXEVSA-N 1 0 335.408 2.045 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000341707352 161007028 /nfs/dbraw/zinc/00/70/28/161007028.db2.gz VQAQICQQNHHEEM-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000342380755 161061118 /nfs/dbraw/zinc/06/11/18/161061118.db2.gz KCMNZKRZMZXMQP-OCCSQVGLSA-N 1 0 328.372 2.316 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343267658 161118582 /nfs/dbraw/zinc/11/85/82/161118582.db2.gz SSABHHWTDFTSFM-NEPJUHHUSA-N 1 0 328.372 2.433 20 5 EEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000344795913 161246605 /nfs/dbraw/zinc/24/66/05/161246605.db2.gz MUUFDQZEZFFKEX-UHFFFAOYSA-N 1 0 330.388 2.137 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000352476220 162150008 /nfs/dbraw/zinc/15/00/08/162150008.db2.gz HLXQQUJLZHIVOO-AAEUAGOBSA-N 1 0 349.387 2.268 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352818744 162298032 /nfs/dbraw/zinc/29/80/32/162298032.db2.gz VZCWKPXXEYUWCC-GXFFZTMASA-N 1 0 339.417 2.273 20 5 EEBDRO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000360259226 164271120 /nfs/dbraw/zinc/27/11/20/164271120.db2.gz UJGRMEDKIPLPOL-UHFFFAOYSA-N 1 0 336.373 2.165 20 5 EEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000360666066 164360118 /nfs/dbraw/zinc/36/01/18/164360118.db2.gz NLDBRNYKPVKTSY-VHSXEESVSA-N 1 0 347.824 2.009 20 5 EEBDRO O=C(N1CCC[N@@H+]2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000369857068 166344783 /nfs/dbraw/zinc/34/47/83/166344783.db2.gz QGKOTHAZHUTEOR-AWEZNQCLSA-N 1 0 339.342 2.383 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371825831 166680158 /nfs/dbraw/zinc/68/01/58/166680158.db2.gz ZQBDZVVROXVNRW-OAHLLOKOSA-N 1 0 335.452 2.416 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000374105522 167018682 /nfs/dbraw/zinc/01/86/82/167018682.db2.gz HKKDMGQGIUBNTI-UHFFFAOYSA-N 1 0 332.404 2.125 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000374397141 167035207 /nfs/dbraw/zinc/03/52/07/167035207.db2.gz AAQKQNDAEZUSFV-AWEZNQCLSA-N 1 0 332.404 2.090 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404095 167035727 /nfs/dbraw/zinc/03/57/27/167035727.db2.gz VZSBFRHVOGKGMX-KGLIPLIRSA-N 1 0 336.388 2.341 20 5 EEBDRO C[C@@H]1[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375245229 167095589 /nfs/dbraw/zinc/09/55/89/167095589.db2.gz LMSIEBRLWDSAMX-LBPRGKRZSA-N 1 0 333.388 2.085 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCCCC1 ZINC000274905095 269072139 /nfs/dbraw/zinc/07/21/39/269072139.db2.gz RBPJRRBJFSNWJX-UHFFFAOYSA-N 1 0 336.392 2.080 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277438799 269156339 /nfs/dbraw/zinc/15/63/39/269156339.db2.gz FDTQNTNDPVRTPH-LBPRGKRZSA-N 1 0 335.408 2.188 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000277764713 269180591 /nfs/dbraw/zinc/18/05/91/269180591.db2.gz KMONLRGLQAMXSI-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278233489 269217605 /nfs/dbraw/zinc/21/76/05/269217605.db2.gz KMVXUXMZHXBGBU-WPRPVWTQSA-N 1 0 331.294 2.484 20 5 EEBDRO CCOc1cc(C[N@H+](C)[C@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000279679082 269299807 /nfs/dbraw/zinc/29/98/07/269299807.db2.gz GILLVSXAHXJULU-CQSZACIVSA-N 1 0 337.420 2.146 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000280003500 269320957 /nfs/dbraw/zinc/32/09/57/269320957.db2.gz GEUVUTVPRYQWEV-VIFPVBQESA-N 1 0 340.181 2.300 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000282864394 269518448 /nfs/dbraw/zinc/51/84/48/269518448.db2.gz VRFSYHWZSUPVFL-OAHLLOKOSA-N 1 0 346.431 2.263 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)c1 ZINC000266442466 274164772 /nfs/dbraw/zinc/16/47/72/274164772.db2.gz WIOPHXVMALRMAD-UHFFFAOYSA-N 1 0 344.371 2.334 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272600407 274177123 /nfs/dbraw/zinc/17/71/23/274177123.db2.gz YLTXODAJMGBIEP-BXUZGUMPSA-N 1 0 339.342 2.239 20 5 EEBDRO Cc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277493997 274298811 /nfs/dbraw/zinc/29/88/11/274298811.db2.gz JOSAFJSMIWKJIR-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000277576084 274313315 /nfs/dbraw/zinc/31/33/15/274313315.db2.gz LRTOXARKNLAECT-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000287966058 275010606 /nfs/dbraw/zinc/01/06/06/275010606.db2.gz YZSKKUUZPIOFEP-ZDUSSCGKSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000026192318 275040264 /nfs/dbraw/zinc/04/02/64/275040264.db2.gz OAIZVKTWCBBOBR-KRWDZBQOSA-N 1 0 341.411 2.320 20 5 EEBDRO Cc1cnn([C@@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290073494 275176902 /nfs/dbraw/zinc/17/69/02/275176902.db2.gz YLBQZDSOSYDKTG-MRXNPFEDSA-N 1 0 343.387 2.010 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000291146717 275275455 /nfs/dbraw/zinc/27/54/55/275275455.db2.gz ASVCRIFTVJLKRO-LLVKDONJSA-N 1 0 337.376 2.174 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291668955 275328108 /nfs/dbraw/zinc/32/81/08/275328108.db2.gz BDBVYLBDUGUYER-GXTWGEPZSA-N 1 0 343.387 2.019 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291774936 275339006 /nfs/dbraw/zinc/33/90/06/275339006.db2.gz LWZMTTWUKRJTAX-ZDUSSCGKSA-N 1 0 332.360 2.126 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343511193 276104278 /nfs/dbraw/zinc/10/42/78/276104278.db2.gz WLFZIMKUGMYCJD-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000193362954 276170585 /nfs/dbraw/zinc/17/05/85/276170585.db2.gz MPPMVKCUBPRMPS-UHFFFAOYSA-N 1 0 332.404 2.067 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491533251 276760546 /nfs/dbraw/zinc/76/05/46/276760546.db2.gz OMNCNUFLFXHCKG-JEZWAEDTSA-N 1 0 347.415 2.177 20 5 EEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2O1 ZINC000370503801 276806018 /nfs/dbraw/zinc/80/60/18/276806018.db2.gz YTSBXYTUPUSAGW-NSHDSACASA-N 1 0 331.328 2.157 20 5 EEBDRO C[NH2+]CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000234354471 277265102 /nfs/dbraw/zinc/26/51/02/277265102.db2.gz AHIULYBDBUJWCM-UHFFFAOYSA-N 1 0 329.198 2.188 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000338697407 277938405 /nfs/dbraw/zinc/93/84/05/277938405.db2.gz XLGGIYBOPDRKBW-ZBFHGGJFSA-N 1 0 348.447 2.066 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193275899 282075958 /nfs/dbraw/zinc/07/59/58/282075958.db2.gz XVLLESYVPRAKSH-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262590217 292725993 /nfs/dbraw/zinc/72/59/93/292725993.db2.gz QZJDTJSOHUTJED-PWSUYJOCSA-N 1 0 325.796 2.377 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000283246994 292917671 /nfs/dbraw/zinc/91/76/71/292917671.db2.gz STXOLSKRGPPCRI-UHFFFAOYSA-N 1 0 344.419 2.357 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293247667 293161537 /nfs/dbraw/zinc/16/15/37/293161537.db2.gz FPQXYQXXHNCCJV-XJKSGUPXSA-N 1 0 344.415 2.019 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293247661 293161794 /nfs/dbraw/zinc/16/17/94/293161794.db2.gz FPQXYQXXHNCCJV-CZUORRHYSA-N 1 0 344.415 2.019 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C[NH+](C)C ZINC000293666592 293265506 /nfs/dbraw/zinc/26/55/06/293265506.db2.gz GDJOBWJAOLCXPU-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294133175 293378006 /nfs/dbraw/zinc/37/80/06/293378006.db2.gz NVYAUKDEBOCYIH-ZDUSSCGKSA-N 1 0 331.294 2.311 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000297523157 294269098 /nfs/dbraw/zinc/26/90/98/294269098.db2.gz BKWDGZHYIQHDES-MFKMUULPSA-N 1 0 339.367 2.155 20 5 EEBDRO Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000301102477 294822672 /nfs/dbraw/zinc/82/26/72/294822672.db2.gz POVHXJQMQBMABE-LLVKDONJSA-N 1 0 332.364 2.199 20 5 EEBDRO Cn1c(Sc2sccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000301999696 294918466 /nfs/dbraw/zinc/91/84/66/294918466.db2.gz IPGFWJNHEKCUCQ-QMMMGPOBSA-N 1 0 325.419 2.403 20 5 EEBDRO COc1cccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000195439555 295288053 /nfs/dbraw/zinc/28/80/53/295288053.db2.gz XMOQJGGACQKGGS-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237996292 303420940 /nfs/dbraw/zinc/42/09/40/303420940.db2.gz XNFYYCKAJXPGEE-KOLCDFICSA-N 1 0 347.824 2.044 20 5 EEBDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605675 311343462 /nfs/dbraw/zinc/34/34/62/311343462.db2.gz JGXRPPKSWSMGQO-SFHVURJKSA-N 1 0 337.379 2.194 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000331922209 311924604 /nfs/dbraw/zinc/92/46/04/311924604.db2.gz JSXSXXJUKUODJR-HNNXBMFYSA-N 1 0 349.456 2.429 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000332558605 312025169 /nfs/dbraw/zinc/02/51/69/312025169.db2.gz OXJRQCBGTMGGRI-LSDHHAIUSA-N 1 0 347.415 2.367 20 5 EEBDRO C[N@@H+]1CC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000350183994 312317250 /nfs/dbraw/zinc/31/72/50/312317250.db2.gz REQFNGLFPOKZKW-SNVBAGLBSA-N 1 0 327.344 2.469 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCOC1 ZINC000355374575 312395386 /nfs/dbraw/zinc/39/53/86/312395386.db2.gz VJDQEBFLFMIJKR-HEHGZKQESA-N 1 0 333.388 2.105 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC000418323739 313782131 /nfs/dbraw/zinc/78/21/31/313782131.db2.gz VCYSTIIUPPZOOQ-UHFFFAOYSA-N 1 0 348.403 2.029 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418718513 313888000 /nfs/dbraw/zinc/88/80/00/313888000.db2.gz KEMUPLGDCFOHRO-ZFWWWQNUSA-N 1 0 334.420 2.296 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000420800461 313979771 /nfs/dbraw/zinc/97/97/71/313979771.db2.gz QAEZDJFNHYRKPH-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000421780042 314163074 /nfs/dbraw/zinc/16/30/74/314163074.db2.gz QGPWWRWGKSGSEI-INIZCTEOSA-N 1 0 337.445 2.379 20 5 EEBDRO COc1cc(CN2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435376535 314898081 /nfs/dbraw/zinc/89/80/81/314898081.db2.gz RHVLXICDCUJYLX-NXEZZACHSA-N 1 0 345.346 2.387 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449204108 315432129 /nfs/dbraw/zinc/43/21/29/315432129.db2.gz MBEOBUYCOMLWPS-HUUCEWRRSA-N 1 0 346.431 2.245 20 5 EEBDRO CN(C)C(=O)OC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000495731571 316076907 /nfs/dbraw/zinc/07/69/07/316076907.db2.gz RPZYPFCLHHXJOL-UHFFFAOYSA-N 1 0 337.376 2.136 20 5 EEBDRO CN(C)C(=O)OC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000495797197 316111301 /nfs/dbraw/zinc/11/13/01/316111301.db2.gz BWXAFNWVQUSNTO-UHFFFAOYSA-N 1 0 337.376 2.136 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011552 316947221 /nfs/dbraw/zinc/94/72/21/316947221.db2.gz OUBNZTYKKHANGL-ZEGGKSINSA-N 1 0 341.795 2.324 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525727067 317071121 /nfs/dbraw/zinc/07/11/21/317071121.db2.gz VWLXCJKFVABVMT-GFCCVEGCSA-N 1 0 349.387 2.127 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000536831488 318010813 /nfs/dbraw/zinc/01/08/13/318010813.db2.gz HMOHFHBSGVQFPH-LBPRGKRZSA-N 1 0 343.449 2.272 20 5 EEBDRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000541985030 318119867 /nfs/dbraw/zinc/11/98/67/318119867.db2.gz SPMCPGABPMDXCT-INIZCTEOSA-N 1 0 347.415 2.015 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000542787760 318140336 /nfs/dbraw/zinc/14/03/36/318140336.db2.gz VFSRHOKPSBZLCF-UHFFFAOYSA-N 1 0 334.420 2.369 20 5 EEBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000548453393 318389940 /nfs/dbraw/zinc/38/99/40/318389940.db2.gz OHARNBVZWXCKOB-OAHLLOKOSA-N 1 0 335.404 2.306 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000564722067 319104307 /nfs/dbraw/zinc/10/43/07/319104307.db2.gz NBOVPHHBGYJBAY-AWEZNQCLSA-N 1 0 343.387 2.043 20 5 EEBDRO COc1ccc(CC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000564722471 319104467 /nfs/dbraw/zinc/10/44/67/319104467.db2.gz PTWZIRMFQJPTQM-AWEZNQCLSA-N 1 0 341.367 2.063 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566618008 319305892 /nfs/dbraw/zinc/30/58/92/319305892.db2.gz QRPSRTHNGOCUSP-DOMZBBRYSA-N 1 0 349.387 2.043 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000567700793 319407416 /nfs/dbraw/zinc/40/74/16/319407416.db2.gz RJYPUSWWKSHFPH-WCQYABFASA-N 1 0 330.331 2.360 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000567873123 319429560 /nfs/dbraw/zinc/42/95/60/319429560.db2.gz NSPNRIZQEDFOCS-OAHLLOKOSA-N 1 0 343.383 2.117 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477216 533706481 /nfs/dbraw/zinc/70/64/81/533706481.db2.gz ZOOBTCNADNXENN-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000580558483 324087411 /nfs/dbraw/zinc/08/74/11/324087411.db2.gz HQOYYNLTLWVADA-LBPRGKRZSA-N 1 0 343.449 2.164 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000580930656 324153025 /nfs/dbraw/zinc/15/30/25/324153025.db2.gz WOWJDVJXRBGVQN-MELADBBJSA-N 1 0 332.404 2.090 20 5 EEBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000581365273 324238550 /nfs/dbraw/zinc/23/85/50/324238550.db2.gz KXQXZAMTPOFZBW-QGZVFWFLSA-N 1 0 344.367 2.327 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000296083821 465075624 /nfs/dbraw/zinc/07/56/24/465075624.db2.gz SRLPBMNYBWHLGY-GFCCVEGCSA-N 1 0 332.404 2.400 20 5 EEBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000347577816 465101126 /nfs/dbraw/zinc/10/11/26/465101126.db2.gz GSQKRAQHIGRFIZ-JKSUJKDBSA-N 1 0 343.431 2.386 20 5 EEBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347625938 465130704 /nfs/dbraw/zinc/13/07/04/465130704.db2.gz DCRSSCYEIGGLKW-OAHLLOKOSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000351518902 465198174 /nfs/dbraw/zinc/19/81/74/465198174.db2.gz AMZGXDJEWKMBGH-RDJZCZTQSA-N 1 0 335.404 2.373 20 5 EEBDRO Cc1ccc([C@@H](O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000298093390 465299507 /nfs/dbraw/zinc/29/95/07/465299507.db2.gz MWPGALMYNMVFTB-KRWDZBQOSA-N 1 0 342.399 2.154 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000351812319 465375899 /nfs/dbraw/zinc/37/58/99/465375899.db2.gz DRVYLUPIHVRNKP-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ncc1[N+](=O)[O-] ZINC000074738832 462628323 /nfs/dbraw/zinc/62/83/23/462628323.db2.gz YHVZCIDJAVYXQW-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000046034334 462639002 /nfs/dbraw/zinc/63/90/02/462639002.db2.gz RJNMKSRLRNBWLQ-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC1(C)CC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000046116297 462649967 /nfs/dbraw/zinc/64/99/67/462649967.db2.gz RTRHXEMXSUHQIP-UHFFFAOYSA-N 1 0 335.404 2.399 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153507828 462659679 /nfs/dbraw/zinc/65/96/79/462659679.db2.gz QRTGDAICZACVFJ-CHWSQXEVSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075674520 462748533 /nfs/dbraw/zinc/74/85/33/462748533.db2.gz BZNVMYXOOYWXEZ-ZBFHGGJFSA-N 1 0 332.404 2.462 20 5 EEBDRO CC1(C)CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015531 462767429 /nfs/dbraw/zinc/76/74/29/462767429.db2.gz IURRXMSBDFQOTK-CQSZACIVSA-N 1 0 341.433 2.041 20 5 EEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394389 462787750 /nfs/dbraw/zinc/78/77/50/462787750.db2.gz OYXUBTGRZMDHMS-QWHCGFSZSA-N 1 0 345.403 2.307 20 5 EEBDRO C[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000090539563 462796003 /nfs/dbraw/zinc/79/60/03/462796003.db2.gz JOSUARYZCCUGIG-RDJZCZTQSA-N 1 0 343.431 2.434 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCOC1 ZINC000117340514 462800682 /nfs/dbraw/zinc/80/06/82/462800682.db2.gz CTZVZTBRVFKWSY-ZDUSSCGKSA-N 1 0 349.387 2.251 20 5 EEBDRO COC[C@@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000117946139 462818476 /nfs/dbraw/zinc/81/84/76/462818476.db2.gz DNKAOYQMYUMPAE-INIZCTEOSA-N 1 0 345.399 2.460 20 5 EEBDRO Nc1nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000076267196 462831823 /nfs/dbraw/zinc/83/18/23/462831823.db2.gz GHGGHPNRZGZVFV-JTQLQIEISA-N 1 0 334.405 2.278 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000155334676 462876396 /nfs/dbraw/zinc/87/63/96/462876396.db2.gz YRCDIFVRXPUJLF-CJNGLKHVSA-N 1 0 335.379 2.219 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000119747842 462925476 /nfs/dbraw/zinc/92/54/76/462925476.db2.gz YAVPNTCPROMUEM-NSHDSACASA-N 1 0 338.383 2.024 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000119835537 462933354 /nfs/dbraw/zinc/93/33/54/462933354.db2.gz ZBEOWYWDFSOBFX-CYBMUJFWSA-N 1 0 334.420 2.193 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000155912261 462958231 /nfs/dbraw/zinc/95/82/31/462958231.db2.gz PORVOBRCVWWWMH-JSGCOSHPSA-N 1 0 332.404 2.042 20 5 EEBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)NC ZINC000120180170 462970124 /nfs/dbraw/zinc/97/01/24/462970124.db2.gz HAXMGNPMIVEGOS-UHFFFAOYSA-N 1 0 346.387 2.250 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000133878245 462980954 /nfs/dbraw/zinc/98/09/54/462980954.db2.gz PHMWPOBXSNQDOH-ZDUSSCGKSA-N 1 0 340.383 2.453 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067724180 463043556 /nfs/dbraw/zinc/04/35/56/463043556.db2.gz KHNXCODOHVQQOJ-UHFFFAOYSA-N 1 0 334.420 2.468 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000052472605 463081785 /nfs/dbraw/zinc/08/17/85/463081785.db2.gz AQCGPHGZGVVFIF-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000025151769 463111256 /nfs/dbraw/zinc/11/12/56/463111256.db2.gz LTMNXQVLJIGEST-GHMZBOCLSA-N 1 0 339.421 2.215 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000025329788 463119418 /nfs/dbraw/zinc/11/94/18/463119418.db2.gz ANYCAAZAJSVHOA-AWEZNQCLSA-N 1 0 349.412 2.454 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000157827562 463174352 /nfs/dbraw/zinc/17/43/52/463174352.db2.gz MUFVPXYNGVBGBD-QPUJVOFHSA-N 1 0 342.193 2.215 20 5 EEBDRO Cc1cc(C)n(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000068783403 463174706 /nfs/dbraw/zinc/17/47/06/463174706.db2.gz YPCAYHGSKRXIAP-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC(F)(F)F ZINC000160528356 463346644 /nfs/dbraw/zinc/34/66/44/463346644.db2.gz NOQOISRRLYEJLH-GFCCVEGCSA-N 1 0 345.321 2.184 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000070175057 463374239 /nfs/dbraw/zinc/37/42/39/463374239.db2.gz UQLWDFFYPUJVJE-IUCAKERBSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000032440938 463376856 /nfs/dbraw/zinc/37/68/56/463376856.db2.gz VZCQTESIBHDFSF-OLZOCXBDSA-N 1 0 341.433 2.136 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1O ZINC000101589051 463379154 /nfs/dbraw/zinc/37/91/54/463379154.db2.gz ZSHFJMXQWMFQSY-ZDUSSCGKSA-N 1 0 335.360 2.295 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCn1ccnc1 ZINC000124316652 463408550 /nfs/dbraw/zinc/40/85/50/463408550.db2.gz HXJJKEOGEQEJKJ-CYBMUJFWSA-N 1 0 331.376 2.140 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000105493138 463453476 /nfs/dbraw/zinc/45/34/76/463453476.db2.gz KZNGIHPDTQTLDS-HNNXBMFYSA-N 1 0 346.383 2.305 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](C(C)C)CC1 ZINC000072603774 463523978 /nfs/dbraw/zinc/52/39/78/463523978.db2.gz FVWLSXYABLMCIO-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO COc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1[N+](=O)[O-] ZINC000072702899 463536890 /nfs/dbraw/zinc/53/68/90/463536890.db2.gz UXPAAQOXMSMQGO-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000072810468 463548020 /nfs/dbraw/zinc/54/80/20/463548020.db2.gz UYWHAPDIONQJNU-JSGCOSHPSA-N 1 0 349.435 2.353 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000108782112 463623981 /nfs/dbraw/zinc/62/39/81/463623981.db2.gz FHHQEKWTHOJOQA-QSLRECBCSA-N 1 0 333.363 2.348 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109757220 463647813 /nfs/dbraw/zinc/64/78/13/463647813.db2.gz MSHRYNOFCIBZCN-AAEUAGOBSA-N 1 0 334.294 2.361 20 5 EEBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000073773506 463654326 /nfs/dbraw/zinc/65/43/26/463654326.db2.gz HXJQLNWLKRKPLN-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000073773525 463654457 /nfs/dbraw/zinc/65/44/57/463654457.db2.gz HXJQLNWLKRKPLN-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112547865 463703570 /nfs/dbraw/zinc/70/35/70/463703570.db2.gz CFVUSSMMLJWSFD-SNVBAGLBSA-N 1 0 337.767 2.062 20 5 EEBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177553425 463735982 /nfs/dbraw/zinc/73/59/82/463735982.db2.gz WOROAJSMFKRHCM-COXVUDFISA-N 1 0 330.388 2.030 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287009163 463771245 /nfs/dbraw/zinc/77/12/45/463771245.db2.gz RJCLATVGXHYSGE-WMLDXEAASA-N 1 0 346.431 2.116 20 5 EEBDRO CCOc1cc(CN[C@](C)(C(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276911970 463804878 /nfs/dbraw/zinc/80/48/78/463804878.db2.gz NLOKMGRLJZYTLQ-SFHVURJKSA-N 1 0 343.383 2.484 20 5 EEBDRO Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000261706408 463833951 /nfs/dbraw/zinc/83/39/51/463833951.db2.gz KALZQYXUGGDQCB-JKSUJKDBSA-N 1 0 325.368 2.470 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000277004892 463839154 /nfs/dbraw/zinc/83/91/54/463839154.db2.gz IITNIOSBPIZZSH-HNNXBMFYSA-N 1 0 346.431 2.408 20 5 EEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000287236284 463842739 /nfs/dbraw/zinc/84/27/39/463842739.db2.gz GEXJEVFNUPBFKC-LBPRGKRZSA-N 1 0 339.392 2.025 20 5 EEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171505031 463874513 /nfs/dbraw/zinc/87/45/13/463874513.db2.gz YGCLVAFUKYACFY-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000269295910 463944938 /nfs/dbraw/zinc/94/49/38/463944938.db2.gz AKAYILHGTGFNNB-UHFFFAOYSA-N 1 0 345.403 2.433 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269340776 463958448 /nfs/dbraw/zinc/95/84/48/463958448.db2.gz HPHJCOVIICRBGA-LBPRGKRZSA-N 1 0 335.408 2.142 20 5 EEBDRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626909 464039120 /nfs/dbraw/zinc/03/91/20/464039120.db2.gz CYIIYKWTZFLFDH-BXKMTCNYSA-N 1 0 348.424 2.498 20 5 EEBDRO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754714 464182568 /nfs/dbraw/zinc/18/25/68/464182568.db2.gz GPBBQARPDUQOAT-GDBMZVCRSA-N 1 0 348.403 2.292 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)C1 ZINC000292507433 464256169 /nfs/dbraw/zinc/25/61/69/464256169.db2.gz HQLCKUNMHKJHTF-KRWDZBQOSA-N 1 0 328.372 2.244 20 5 EEBDRO C[NH2+]CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237116617 464268017 /nfs/dbraw/zinc/26/80/17/464268017.db2.gz FQRSSEXODHNPKS-GFCCVEGCSA-N 1 0 343.387 2.112 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237386581 464312224 /nfs/dbraw/zinc/31/22/24/464312224.db2.gz JTHGMBOZFFQHJV-ZYHUDNBSSA-N 1 0 341.795 2.355 20 5 EEBDRO C[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000237630750 464354389 /nfs/dbraw/zinc/35/43/89/464354389.db2.gz ADSJOBRLRHCOPH-ZIAGYGMSSA-N 1 0 334.420 2.149 20 5 EEBDRO CCC[NH+](CCC)CCCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000264705352 464431095 /nfs/dbraw/zinc/43/10/95/464431095.db2.gz XNPWOQOQYMQSDY-UHFFFAOYSA-N 1 0 325.413 2.122 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186482 464452169 /nfs/dbraw/zinc/45/21/69/464452169.db2.gz PUPHCVRGPZMTID-ZWNOBZJWSA-N 1 0 333.388 2.267 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1C ZINC000189498028 464519922 /nfs/dbraw/zinc/51/99/22/464519922.db2.gz SOFLHQDRKGKSLH-HIFRSBDPSA-N 1 0 347.415 2.468 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000272232592 464529063 /nfs/dbraw/zinc/52/90/63/464529063.db2.gz JWPIWJYPHXDFEX-LSDHHAIUSA-N 1 0 349.434 2.350 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000175399768 464540078 /nfs/dbraw/zinc/54/00/78/464540078.db2.gz BLVQTQFETTYMQC-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272375450 464582899 /nfs/dbraw/zinc/58/28/99/464582899.db2.gz ROQXYPFZJZOFJP-SNVBAGLBSA-N 1 0 349.416 2.013 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285533942 464599284 /nfs/dbraw/zinc/59/92/84/464599284.db2.gz LDGTWWZMJLECMZ-RBSFLKMASA-N 1 0 346.431 2.480 20 5 EEBDRO CC(C)c1nnc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000294818350 464615140 /nfs/dbraw/zinc/61/51/40/464615140.db2.gz OQNQUYSQQPJFSS-LLVKDONJSA-N 1 0 346.391 2.343 20 5 EEBDRO C[C@H](O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000272546458 464655581 /nfs/dbraw/zinc/65/55/81/464655581.db2.gz KCOGUBWEMGQJOE-JSGCOSHPSA-N 1 0 331.372 2.495 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000285895592 464734873 /nfs/dbraw/zinc/73/48/73/464734873.db2.gz KDEYTRZDLYAKGK-WMLDXEAASA-N 1 0 349.431 2.289 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)n1 ZINC000176269751 464735984 /nfs/dbraw/zinc/73/59/84/464735984.db2.gz AVVCHOVJBBIXDA-MRXNPFEDSA-N 1 0 330.388 2.330 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000295227819 464751639 /nfs/dbraw/zinc/75/16/39/464751639.db2.gz BIGVRJULSIGFRE-GFCCVEGCSA-N 1 0 333.388 2.160 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000190975348 464754339 /nfs/dbraw/zinc/75/43/39/464754339.db2.gz NUJHCICIMRMPBM-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000295250562 464760763 /nfs/dbraw/zinc/76/07/63/464760763.db2.gz QHHBMNXHNCJYAL-ZDUSSCGKSA-N 1 0 335.404 2.377 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276114785 464813823 /nfs/dbraw/zinc/81/38/23/464813823.db2.gz WTLXBTDWAZOWNH-UHFFFAOYSA-N 1 0 341.433 2.283 20 5 EEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000286136578 464816487 /nfs/dbraw/zinc/81/64/87/464816487.db2.gz HOLWOUWQWUUCCA-UHFFFAOYSA-N 1 0 336.392 2.034 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000176760181 464843337 /nfs/dbraw/zinc/84/33/37/464843337.db2.gz OYYDPIOJQODUQJ-CYBMUJFWSA-N 1 0 334.344 2.154 20 5 EEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000192028475 464852805 /nfs/dbraw/zinc/85/28/05/464852805.db2.gz CRSUSAJZFOXQNJ-LBPRGKRZSA-N 1 0 347.824 2.044 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000267245201 464922814 /nfs/dbraw/zinc/92/28/14/464922814.db2.gz CHADJHZCUSJUDT-VXGBXAGGSA-N 1 0 339.367 2.102 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286494804 464939414 /nfs/dbraw/zinc/93/94/14/464939414.db2.gz RQKZXPRTOTYGAJ-OCCSQVGLSA-N 1 0 348.403 2.230 20 5 EEBDRO Cc1c(C(=O)N2CCC(OCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000351894713 465425567 /nfs/dbraw/zinc/42/55/67/465425567.db2.gz LXAXRTJKTSGBGL-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000352188817 465501141 /nfs/dbraw/zinc/50/11/41/465501141.db2.gz JFIJKLCAHFDOMU-UHFFFAOYSA-N 1 0 349.840 2.009 20 5 EEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000353032353 465589210 /nfs/dbraw/zinc/58/92/10/465589210.db2.gz HPMHLFQVCDIOIB-UHFFFAOYSA-N 1 0 349.387 2.307 20 5 EEBDRO CC(=O)N[C@@]1(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[NH2+]C1 ZINC000356886541 465601500 /nfs/dbraw/zinc/60/15/00/465601500.db2.gz CFGKZMMIUNBNHN-HNNXBMFYSA-N 1 0 332.385 2.043 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000361000678 465693838 /nfs/dbraw/zinc/69/38/38/465693838.db2.gz CIKYNZSRQHETDQ-UHFFFAOYSA-N 1 0 339.440 2.057 20 5 EEBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357012282 465699620 /nfs/dbraw/zinc/69/96/20/465699620.db2.gz QQLILWXTACGHQM-JTQLQIEISA-N 1 0 335.360 2.382 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330552030 465701518 /nfs/dbraw/zinc/70/15/18/465701518.db2.gz FFCFMJJECBICPA-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000330560104 465707042 /nfs/dbraw/zinc/70/70/42/465707042.db2.gz IOUCMZWVPSJDFA-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000330560105 465707179 /nfs/dbraw/zinc/70/71/79/465707179.db2.gz IOUCMZWVPSJDFA-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335464 465723096 /nfs/dbraw/zinc/72/30/96/465723096.db2.gz LFBSKENRBRUMOE-DOTOQJQBSA-N 1 0 330.388 2.416 20 5 EEBDRO CC(C)(C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079171 465751248 /nfs/dbraw/zinc/75/12/48/465751248.db2.gz KDNDLFDGINCREM-CVEARBPZSA-N 1 0 331.416 2.377 20 5 EEBDRO COC[C@]1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357281148 465910712 /nfs/dbraw/zinc/91/07/12/465910712.db2.gz ARINBWIPBDMUAD-GOSISDBHSA-N 1 0 349.431 2.391 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000594016679 468461395 /nfs/dbraw/zinc/46/13/95/468461395.db2.gz DNPJLQWPRUJXMH-AWEZNQCLSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CO ZINC000594017377 468462776 /nfs/dbraw/zinc/46/27/76/468462776.db2.gz XLCATXMOVZGTOH-OAHLLOKOSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200033 465984254 /nfs/dbraw/zinc/98/42/54/465984254.db2.gz QSGGVHHDXSXLFB-ZQIUZPCESA-N 1 0 347.415 2.162 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346238256 466017177 /nfs/dbraw/zinc/01/71/77/466017177.db2.gz OHVSMRRZPMZZBH-XJKCOSOUSA-N 1 0 347.415 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301729361 466018064 /nfs/dbraw/zinc/01/80/64/466018064.db2.gz RPKPDKDGZNJXNY-ZDUSSCGKSA-N 1 0 336.348 2.168 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000349379614 466090051 /nfs/dbraw/zinc/09/00/51/466090051.db2.gz CGTHMHKHLROFTH-BLLLJJGKSA-N 1 0 330.388 2.198 20 5 EEBDRO COc1ccc2nc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)sc2c1 ZINC000353762878 466128385 /nfs/dbraw/zinc/12/83/85/466128385.db2.gz GPGXRNREFHFHBX-UHFFFAOYSA-N 1 0 333.373 2.199 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000357804731 466225680 /nfs/dbraw/zinc/22/56/80/466225680.db2.gz MEIXOTUHULFDNK-CYBMUJFWSA-N 1 0 334.420 2.300 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000349796957 466244630 /nfs/dbraw/zinc/24/46/30/466244630.db2.gz DCMNGTWMYBAGNN-CYBMUJFWSA-N 1 0 343.449 2.219 20 5 EEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000331978978 466332383 /nfs/dbraw/zinc/33/23/83/466332383.db2.gz DZQPSPZHLOWXMU-LSDHHAIUSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305236267 466388247 /nfs/dbraw/zinc/38/82/47/466388247.db2.gz XKZXTKOZDPQNPH-STQMWFEESA-N 1 0 349.387 2.128 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332220057 466453821 /nfs/dbraw/zinc/45/38/21/466453821.db2.gz AGAILKHJXGIMTH-QGZVFWFLSA-N 1 0 344.415 2.348 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305811847 466471346 /nfs/dbraw/zinc/47/13/46/466471346.db2.gz MOKOFVMLPKBKOK-DVOMOZLQSA-N 1 0 335.404 2.405 20 5 EEBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174198 466513990 /nfs/dbraw/zinc/51/39/90/466513990.db2.gz XXJNHPWOQOZMJR-KRWDZBQOSA-N 1 0 331.372 2.011 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000591678589 468501321 /nfs/dbraw/zinc/50/13/21/468501321.db2.gz AWCYXWFIWPXTOD-OKILXGFUSA-N 1 0 348.447 2.498 20 5 EEBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569476589 468497263 /nfs/dbraw/zinc/49/72/63/468497263.db2.gz ZCRQGOKTQCWZGB-LBPRGKRZSA-N 1 0 337.376 2.101 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000347310904 466552751 /nfs/dbraw/zinc/55/27/51/466552751.db2.gz GLGQCYAYKRERRI-PTNGSMBKSA-N 1 0 333.432 2.387 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+](C)C)CC1 ZINC000354417568 466553491 /nfs/dbraw/zinc/55/34/91/466553491.db2.gz WRKZPZWGZYYVEX-ZDUSSCGKSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000323756774 466641263 /nfs/dbraw/zinc/64/12/63/466641263.db2.gz VYTXKMWRDYBVRL-ZANVPECISA-N 1 0 331.294 2.314 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363935979 466660889 /nfs/dbraw/zinc/66/08/89/466660889.db2.gz CXXZXYYDHZILSG-RYUDHWBXSA-N 1 0 348.359 2.168 20 5 EEBDRO CCOc1ccc([C@@H](C)NC[C@@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416440 466744489 /nfs/dbraw/zinc/74/44/89/466744489.db2.gz QNELANWWUSJKKL-CXAGYDPISA-N 1 0 337.420 2.413 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365363256 466792706 /nfs/dbraw/zinc/79/27/06/466792706.db2.gz YIYAZPKWWJEORE-HUBLWGQQSA-N 1 0 335.429 2.286 20 5 EEBDRO Cc1c(CC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423680600 466801367 /nfs/dbraw/zinc/80/13/67/466801367.db2.gz UNGYGRMUAGGYLE-QGZVFWFLSA-N 1 0 339.395 2.449 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423725197 466814449 /nfs/dbraw/zinc/81/44/49/466814449.db2.gz NPFJAYKLNRNPJF-WCQYABFASA-N 1 0 331.376 2.707 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000411974452 466953880 /nfs/dbraw/zinc/95/38/80/466953880.db2.gz YQLXNKJWPMINAU-SFHVURJKSA-N 1 0 343.358 2.363 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417846271 466954961 /nfs/dbraw/zinc/95/49/61/466954961.db2.gz JDVKHBBLVYCXAH-YCPHGPKFSA-N 1 0 332.404 2.297 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411977908 466955882 /nfs/dbraw/zinc/95/58/82/466955882.db2.gz KVOXYZJQQBFVLX-JKSUJKDBSA-N 1 0 325.368 2.296 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000411985199 466957171 /nfs/dbraw/zinc/95/71/71/466957171.db2.gz SEJFWCCCDWBTOT-ZWKOTPCHSA-N 1 0 339.395 2.338 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCC[NH2+]C1 ZINC000418098085 467044157 /nfs/dbraw/zinc/04/41/57/467044157.db2.gz ZBUMCUPVDSDFGR-NSHDSACASA-N 1 0 346.309 2.165 20 5 EEBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CC[N@@H+]1C[C@@H](C)O ZINC000413129289 467175445 /nfs/dbraw/zinc/17/54/45/467175445.db2.gz LHLQBWRPTDAFPA-ZIAGYGMSSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339319 467233403 /nfs/dbraw/zinc/23/34/03/467233403.db2.gz YRDIUBUAOVBSBM-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000419922082 467268510 /nfs/dbraw/zinc/26/85/10/467268510.db2.gz OKIWJTYHLZZIRQ-UHFFFAOYSA-N 1 0 337.424 2.484 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)c1nc2sccn2c1[N+](=O)[O-] ZINC000433424268 467331724 /nfs/dbraw/zinc/33/17/24/467331724.db2.gz MISJCQFIEMTYJL-UHFFFAOYSA-N 1 0 346.416 2.267 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420287728 467339312 /nfs/dbraw/zinc/33/93/12/467339312.db2.gz RLMQNJIFYIKGOB-YPMHNXCESA-N 1 0 332.404 2.416 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C[NH3+])C1 ZINC000420344741 467370170 /nfs/dbraw/zinc/37/01/70/467370170.db2.gz UPFVDRWLDDXCNQ-BXUZGUMPSA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420371465 467382239 /nfs/dbraw/zinc/38/22/39/467382239.db2.gz PMHBBKZOQNLBCP-JRPNMDOOSA-N 1 0 331.376 2.121 20 5 EEBDRO COc1ccc(OCCN2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420406208 467396906 /nfs/dbraw/zinc/39/69/06/467396906.db2.gz QRMZEMMLDJRBFR-AWEZNQCLSA-N 1 0 343.383 2.372 20 5 EEBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(C2CC[NH+](C)CC2)n1 ZINC000430454332 467430439 /nfs/dbraw/zinc/43/04/39/467430439.db2.gz KCFBCSFNHXQXJX-UHFFFAOYSA-N 1 0 333.348 2.212 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430648429 467455650 /nfs/dbraw/zinc/45/56/50/467455650.db2.gz QZDRYTHBDVNANC-XJKSGUPXSA-N 1 0 334.420 2.434 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[NH2+]CCCO3)cs2)c1 ZINC000415041717 467474704 /nfs/dbraw/zinc/47/47/04/467474704.db2.gz PSTPZYYBNAVHLK-OAHLLOKOSA-N 1 0 348.428 2.186 20 5 EEBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](O)C[NH3+] ZINC000415067301 467480313 /nfs/dbraw/zinc/48/03/13/467480313.db2.gz KNTWWULNUVGAFK-LLVKDONJSA-N 1 0 339.779 2.260 20 5 EEBDRO C[C@]([NH3+])(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000447452488 467587541 /nfs/dbraw/zinc/58/75/41/467587541.db2.gz UBXXGXDQHDDHLB-GOSISDBHSA-N 1 0 325.368 2.354 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448979122 467610470 /nfs/dbraw/zinc/61/04/70/467610470.db2.gz GIMMCQNQJOABQR-ZDUSSCGKSA-N 1 0 333.388 2.110 20 5 EEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000449100797 467618164 /nfs/dbraw/zinc/61/81/64/467618164.db2.gz SMGNASFFTCTUFP-HNNXBMFYSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449399231 467639363 /nfs/dbraw/zinc/63/93/63/467639363.db2.gz YVFMATRACFNBMY-DOTOQJQBSA-N 1 0 335.448 2.352 20 5 EEBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456267 467647517 /nfs/dbraw/zinc/64/75/17/467647517.db2.gz MFWJFMCHFRTNNE-YGRLFVJLSA-N 1 0 346.330 2.337 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497606 467651984 /nfs/dbraw/zinc/65/19/84/467651984.db2.gz AQQKYVCSSGIKAC-IRXDYDNUSA-N 1 0 348.399 2.348 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449565651 467662870 /nfs/dbraw/zinc/66/28/70/467662870.db2.gz KYOBLVRQVDRPAC-MRVPVSSYSA-N 1 0 330.182 2.215 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449573731 467664969 /nfs/dbraw/zinc/66/49/69/467664969.db2.gz TWCZMJZDORHNGO-VIFPVBQESA-N 1 0 344.209 2.143 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449609917 467670611 /nfs/dbraw/zinc/67/06/11/467670611.db2.gz DLIAHSLAIFLBGH-LDYMZIIASA-N 1 0 333.360 2.174 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000449612917 467671065 /nfs/dbraw/zinc/67/10/65/467671065.db2.gz PHVQAGPFDGTBPU-QMMMGPOBSA-N 1 0 341.236 2.326 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750654 467707135 /nfs/dbraw/zinc/70/71/35/467707135.db2.gz JPPBEFKXEYZUMS-TVQRCGJNSA-N 1 0 341.795 2.272 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750653 467707339 /nfs/dbraw/zinc/70/73/39/467707339.db2.gz JPPBEFKXEYZUMS-RNCFNFMXSA-N 1 0 341.795 2.272 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000492921881 467795631 /nfs/dbraw/zinc/79/56/31/467795631.db2.gz MFLSJWSUFRXHOL-NJELEJDNSA-N 1 0 333.363 2.301 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493800178 467985839 /nfs/dbraw/zinc/98/58/39/467985839.db2.gz YYRJRVLYDUMXLP-GXTWGEPZSA-N 1 0 338.314 2.226 20 5 EEBDRO C[C@H](O)[C@H]1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)C1 ZINC000517016706 468065270 /nfs/dbraw/zinc/06/52/70/468065270.db2.gz GOGARZLZWSRYBF-JSGCOSHPSA-N 1 0 343.387 2.204 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648882 468092230 /nfs/dbraw/zinc/09/22/30/468092230.db2.gz MFSFWVRIWXMTOP-UKRRQHHQSA-N 1 0 342.399 2.499 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183023 468175577 /nfs/dbraw/zinc/17/55/77/468175577.db2.gz CUGXSOZLWLEUMM-ZDUSSCGKSA-N 1 0 335.408 2.092 20 5 EEBDRO CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549724349 468193947 /nfs/dbraw/zinc/19/39/47/468193947.db2.gz SJKLMOFBKFAOCB-AWEZNQCLSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594195348 468508706 /nfs/dbraw/zinc/50/87/06/468508706.db2.gz FZRZICZNPDJQCF-NVXWUHKLSA-N 1 0 347.415 2.415 20 5 EEBDRO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197152 468508843 /nfs/dbraw/zinc/50/88/43/468508843.db2.gz AMDJYUMUWTYNJQ-ZIAGYGMSSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594201135 468510560 /nfs/dbraw/zinc/51/05/60/468510560.db2.gz NZCLNSHXLJUQEW-CVEARBPZSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591757719 468515130 /nfs/dbraw/zinc/51/51/30/468515130.db2.gz FKHHITZIPSWOQW-SRCQZFHVSA-N 1 0 330.388 2.065 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000591760132 468516524 /nfs/dbraw/zinc/51/65/24/468516524.db2.gz PEUPAGOCXHAAIX-HOTGVXAUSA-N 1 0 338.404 2.273 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000591764383 468517699 /nfs/dbraw/zinc/51/76/99/468517699.db2.gz HHUBKICSPRABBH-RYUDHWBXSA-N 1 0 330.331 2.360 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000597442855 468557567 /nfs/dbraw/zinc/55/75/67/468557567.db2.gz YYFJPVOXGXRMNB-IUODEOHRSA-N 1 0 332.404 2.406 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000597717011 468648659 /nfs/dbraw/zinc/64/86/59/468648659.db2.gz VWDDJWHLCWHEIK-QGZVFWFLSA-N 1 0 343.387 2.029 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255422 468665983 /nfs/dbraw/zinc/66/59/83/468665983.db2.gz OYTFZYOXBDXJIT-KBPBESRZSA-N 1 0 347.415 2.455 20 5 EEBDRO CCc1cnccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571040379 468731149 /nfs/dbraw/zinc/73/11/49/468731149.db2.gz FAAGYCJQOVVUDE-UHFFFAOYSA-N 1 0 349.412 2.116 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+](C)C)cc1OC ZINC000597995895 468734697 /nfs/dbraw/zinc/73/46/97/468734697.db2.gz HBAGYWDQKWHWGN-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO CCC[N@@H+]1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097593 468758459 /nfs/dbraw/zinc/75/84/59/468758459.db2.gz YUCIFEOVTWFSHO-RDJZCZTQSA-N 1 0 343.431 2.492 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595229082 468788652 /nfs/dbraw/zinc/78/86/52/468788652.db2.gz QGCCCCZFYBXVOL-OCCSQVGLSA-N 1 0 332.404 2.004 20 5 EEBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966012 468829937 /nfs/dbraw/zinc/82/99/37/468829937.db2.gz REMSMDJBBJQHGA-AWEZNQCLSA-N 1 0 339.342 2.331 20 5 EEBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595678115 468951613 /nfs/dbraw/zinc/95/16/13/468951613.db2.gz QXANLEITYIDAMK-HIFRSBDPSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2cnnc2C2CC2)n1 ZINC000562499085 468970052 /nfs/dbraw/zinc/97/00/52/468970052.db2.gz XITYGJQHPIOWKX-ZIAGYGMSSA-N 1 0 345.407 2.034 20 5 EEBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000602638897 468982139 /nfs/dbraw/zinc/98/21/39/468982139.db2.gz HATGXZZAZDLJAV-LLVKDONJSA-N 1 0 331.294 2.372 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cn1 ZINC000602681070 469007580 /nfs/dbraw/zinc/00/75/80/469007580.db2.gz JDUGYDJDTRBQPT-CQSZACIVSA-N 1 0 334.420 2.365 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000598913831 469047255 /nfs/dbraw/zinc/04/72/55/469047255.db2.gz PKVOVMPCZDCXQT-CJNGLKHVSA-N 1 0 348.403 2.345 20 5 EEBDRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])n3C)C2)cc1 ZINC000601881679 469075374 /nfs/dbraw/zinc/07/53/74/469075374.db2.gz UNGWNLCWBCHKQZ-OAHLLOKOSA-N 1 0 342.399 2.246 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000602841841 469110925 /nfs/dbraw/zinc/11/09/25/469110925.db2.gz WBHSULUJMUOUHI-LLVKDONJSA-N 1 0 326.397 2.009 20 5 EEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[NH2+]1 ZINC000596017036 469119736 /nfs/dbraw/zinc/11/97/36/469119736.db2.gz ZWDFIUBPMMFIGN-RYUDHWBXSA-N 1 0 338.383 2.123 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000601978543 469124817 /nfs/dbraw/zinc/12/48/17/469124817.db2.gz YRMHMIWIQVGNIB-CYBMUJFWSA-N 1 0 335.404 2.420 20 5 EEBDRO CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCCCC1 ZINC000596070489 469139086 /nfs/dbraw/zinc/13/90/86/469139086.db2.gz PNPPJUTVPBDYJS-AWEZNQCLSA-N 1 0 346.435 2.950 20 5 EEBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599176368 469150170 /nfs/dbraw/zinc/15/01/70/469150170.db2.gz RRWMLUMFXYISGW-SNVBAGLBSA-N 1 0 333.310 2.401 20 5 EEBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602959594 469190866 /nfs/dbraw/zinc/19/08/66/469190866.db2.gz YGEUFUKSPMJFHL-UHFFFAOYSA-N 1 0 349.435 2.306 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2sccc2[N+](=O)[O-])CC1 ZINC000611412191 469244432 /nfs/dbraw/zinc/24/44/32/469244432.db2.gz BYRJDFMDPJNGMS-UHFFFAOYSA-N 1 0 333.417 2.415 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000602231734 469250000 /nfs/dbraw/zinc/25/00/00/469250000.db2.gz QCNWVDCWQWNQBW-UHFFFAOYSA-N 1 0 330.344 2.183 20 5 EEBDRO C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599628230 469315311 /nfs/dbraw/zinc/31/53/11/469315311.db2.gz QWIHYKMCCPRXSR-RYUDHWBXSA-N 1 0 330.331 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CCCCC3)CC2)cn1 ZINC000602561269 469361356 /nfs/dbraw/zinc/36/13/56/469361356.db2.gz OCJOPHBLYDZVQC-KRWDZBQOSA-N 1 0 348.447 2.489 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603671245 469422575 /nfs/dbraw/zinc/42/25/75/469422575.db2.gz MYIPVXCAAXROBV-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CCO)C3CCOCC3)nc2c1 ZINC000613130268 469636118 /nfs/dbraw/zinc/63/61/18/469636118.db2.gz MQSWIKGEIMNNRV-CYBMUJFWSA-N 1 0 335.360 2.003 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000619583316 469645289 /nfs/dbraw/zinc/64/52/89/469645289.db2.gz ISYYABOPHNZFAK-HNNXBMFYSA-N 1 0 347.415 2.273 20 5 EEBDRO Cc1ccnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000132842905 534401921 /nfs/dbraw/zinc/40/19/21/534401921.db2.gz XSTSMXSIVXEFNY-CABCVRRESA-N 1 0 334.420 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)s2)cc1 ZINC000187669950 534880964 /nfs/dbraw/zinc/88/09/64/534880964.db2.gz HRQMVTBBWPXIQV-KBPBESRZSA-N 1 0 334.397 2.251 20 5 EEBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534420 528203046 /nfs/dbraw/zinc/20/30/46/528203046.db2.gz PYIVDVCFAQSLJT-CZUORRHYSA-N 1 0 348.403 2.290 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173995847 528259518 /nfs/dbraw/zinc/25/95/18/528259518.db2.gz FHFQHYMDTLJYHP-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)[C@@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586592 576277597 /nfs/dbraw/zinc/27/75/97/576277597.db2.gz MXEHICZHFMZRKL-HNNXBMFYSA-N 1 0 346.387 2.441 20 5 EEBDRO Cn1nccc1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279112 577456642 /nfs/dbraw/zinc/45/66/42/577456642.db2.gz XHSMUGWAECVNDF-RHSMWYFYSA-N 1 0 330.388 2.241 20 5 EEBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009580 577470946 /nfs/dbraw/zinc/47/09/46/577470946.db2.gz JAJWCPZJVHAGMB-JOYOIKCWSA-N 1 0 349.309 2.479 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CC=CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765033050 577493219 /nfs/dbraw/zinc/49/32/19/577493219.db2.gz GGIRHJODFYDBLR-HNNXBMFYSA-N 1 0 327.388 2.157 20 5 EEBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000765444580 577501180 /nfs/dbraw/zinc/50/11/80/577501180.db2.gz YENFLYMVQOGRMG-OLZOCXBDSA-N 1 0 343.387 2.323 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000765782382 577507029 /nfs/dbraw/zinc/50/70/29/577507029.db2.gz VYNBKQXFOMZGFV-HNNXBMFYSA-N 1 0 330.432 2.390 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000768773178 577562133 /nfs/dbraw/zinc/56/21/33/577562133.db2.gz SZXIHOYRWNRAEX-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1nn(C[N@H+]2CC[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294578 577681240 /nfs/dbraw/zinc/68/12/40/577681240.db2.gz XVQRNEQEZXBDJH-CYBMUJFWSA-N 1 0 340.387 2.433 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000761531209 577685510 /nfs/dbraw/zinc/68/55/10/577685510.db2.gz FJFDFDUHDRCOSX-UHFFFAOYSA-N 1 0 342.779 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c2nonc21 ZINC000763376185 577720206 /nfs/dbraw/zinc/72/02/06/577720206.db2.gz NONNWDJJQKHQPN-YPMHNXCESA-N 1 0 347.375 2.186 20 5 EEBDRO [NH2+]=C(NOCc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 ZINC000764568375 577738922 /nfs/dbraw/zinc/73/89/22/577738922.db2.gz GTVVFCWNZDKFRE-OAHLLOKOSA-N 1 0 329.312 2.433 20 5 EEBDRO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000754503356 577807256 /nfs/dbraw/zinc/80/72/56/577807256.db2.gz SMCMDOYCTSAZRV-ZDUSSCGKSA-N 1 0 341.795 2.008 20 5 EEBDRO O=C1OCCN1CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862466 577890803 /nfs/dbraw/zinc/89/08/03/577890803.db2.gz DXVBSCIZZWAMKY-UHFFFAOYSA-N 1 0 349.387 2.280 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]CC[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000735084264 578132919 /nfs/dbraw/zinc/13/29/19/578132919.db2.gz CWAHLUGVENUIKV-HSZRJFAPSA-N 1 0 338.385 2.332 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736570053 578212074 /nfs/dbraw/zinc/21/20/74/578212074.db2.gz NBHFZJQNLIWCTK-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568853 578212086 /nfs/dbraw/zinc/21/20/86/578212086.db2.gz DCIWFDSKGAJLBS-AAEUAGOBSA-N 1 0 345.407 2.084 20 5 EEBDRO Cc1cnoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020868534 675552677 /nfs/dbraw/zinc/55/26/77/675552677.db2.gz CXEXZTMGPZMSNT-XYPYZODXSA-N 1 0 336.373 2.003 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021999904 676576707 /nfs/dbraw/zinc/57/67/07/676576707.db2.gz MBMLNLPJWXCGET-GASCZTMLSA-N 1 0 329.356 2.167 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001022151922 676704656 /nfs/dbraw/zinc/70/46/56/676704656.db2.gz NEMKASRHXIZXBJ-AOOOYVTPSA-N 1 0 338.414 2.163 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCCC[NH+]1CCOCC1 ZINC000891856121 676867441 /nfs/dbraw/zinc/86/74/41/676867441.db2.gz SNPAAGPZAISNDX-UHFFFAOYSA-N 1 0 348.378 2.228 20 5 EEBDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1(F)F ZINC000894421746 682887033 /nfs/dbraw/zinc/88/70/33/682887033.db2.gz YCLGCNZONWTEHU-ZYHUDNBSSA-N 1 0 348.733 2.435 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc3ccccc3o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650578 683049104 /nfs/dbraw/zinc/04/91/04/683049104.db2.gz WRGFIVXVNWAIJJ-UIBBOPPKSA-N 1 0 343.383 2.082 20 5 EEBDRO CCNc1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892801387 683080081 /nfs/dbraw/zinc/08/00/81/683080081.db2.gz RPDWKORVUCMCKX-QGZVFWFLSA-N 1 0 332.404 2.241 20 5 EEBDRO CC[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000893172100 684025631 /nfs/dbraw/zinc/02/56/31/684025631.db2.gz CVROWSFNESLDPM-HNNXBMFYSA-N 1 0 329.404 2.429 20 5 EEBDRO CC[C@H]1COCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128657955 694005341 /nfs/dbraw/zinc/00/53/41/694005341.db2.gz MILAYFQRYUAWKP-NSHDSACASA-N 1 0 325.340 2.173 20 5 EEBDRO CCc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431208 686704939 /nfs/dbraw/zinc/70/49/39/686704939.db2.gz OIHKFWSJUGVSBF-QZTJIDSGSA-N 1 0 345.443 2.337 20 5 EEBDRO O=C(c1cccnc1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989859130 692393980 /nfs/dbraw/zinc/39/39/80/692393980.db2.gz LNFORPPWGIGMJX-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000112364049 1193314690 /nfs/dbraw/zinc/31/46/90/1193314690.db2.gz HPSCYSPQWQGOME-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105441712 1187158393 /nfs/dbraw/zinc/15/83/93/1187158393.db2.gz GMOJCTMFZVDHNG-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO COCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001128837145 1195803505 /nfs/dbraw/zinc/80/35/05/1195803505.db2.gz DHZKIUMJEJTLLJ-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000872037932 1198033093 /nfs/dbraw/zinc/03/30/93/1198033093.db2.gz HDVLEMWPYNZWTR-YGRLFVJLSA-N 1 0 336.417 2.434 20 5 EEBDRO COCCC[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865503951 1198250042 /nfs/dbraw/zinc/25/00/42/1198250042.db2.gz ZUTUGJGRRRUURM-UHFFFAOYSA-N 1 0 341.383 2.139 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000810843454 1199775613 /nfs/dbraw/zinc/77/56/13/1199775613.db2.gz FWGRLBDONSDWES-DGCLKSJQSA-N 1 0 348.355 2.150 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877341534 1199907739 /nfs/dbraw/zinc/90/77/39/1199907739.db2.gz TXCGBIRSSLOFFX-OAHLLOKOSA-N 1 0 325.368 2.348 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877346309 1199909255 /nfs/dbraw/zinc/90/92/55/1199909255.db2.gz QZYZSVNLUKKNBC-AWEZNQCLSA-N 1 0 341.367 2.048 20 5 EEBDRO CONC(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000877786093 1200103433 /nfs/dbraw/zinc/10/34/33/1200103433.db2.gz UOPWNJPHDYVRPL-RAXLEYEMSA-N 1 0 333.388 2.388 20 5 EEBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877830185 1200134614 /nfs/dbraw/zinc/13/46/14/1200134614.db2.gz DQBFOBRPBBCUET-DMRZNYOFSA-N 1 0 340.445 2.109 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000826077307 1200714761 /nfs/dbraw/zinc/71/47/61/1200714761.db2.gz ZAYUUTVGZQQSTR-GHMZBOCLSA-N 1 0 338.383 2.012 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000123279854 1200819140 /nfs/dbraw/zinc/81/91/40/1200819140.db2.gz ASEVUIUOJCMHPB-GHMZBOCLSA-N 1 0 347.824 2.105 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208987 1201422780 /nfs/dbraw/zinc/42/27/80/1201422780.db2.gz OEVIXTZMEXTPCI-AWEZNQCLSA-N 1 0 337.395 2.467 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000868076836 1201739320 /nfs/dbraw/zinc/73/93/20/1201739320.db2.gz LBCIOCFHIMCUKO-GOSISDBHSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868280711 1201782465 /nfs/dbraw/zinc/78/24/65/1201782465.db2.gz HENTXMXCDLVGSM-OCCSQVGLSA-N 1 0 335.379 2.362 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C2 ZINC000868633954 1201849732 /nfs/dbraw/zinc/84/97/32/1201849732.db2.gz OBKIQPUQWGEUCY-KRWDZBQOSA-N 1 0 335.379 2.221 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000884353666 1202299827 /nfs/dbraw/zinc/29/98/27/1202299827.db2.gz DDZSXSWPWVYEQN-GHMZBOCLSA-N 1 0 342.193 2.213 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095421882 1205725253 /nfs/dbraw/zinc/72/52/53/1205725253.db2.gz WUPCKLMYLDQNSQ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095605615 1205889163 /nfs/dbraw/zinc/88/91/63/1205889163.db2.gz UOPHYWVXIMPGLU-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924476426 1205981838 /nfs/dbraw/zinc/98/18/38/1205981838.db2.gz SYQVMOCAKJXXEG-WFASDCNBSA-N 1 0 346.387 2.062 20 5 EEBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112651 1206193679 /nfs/dbraw/zinc/19/36/79/1206193679.db2.gz BAJDZSGCMNCNOO-GWCFXTLKSA-N 1 0 325.796 2.438 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000931046307 1206602508 /nfs/dbraw/zinc/60/25/08/1206602508.db2.gz UHUWFDHFXCLXCI-DVOMOZLQSA-N 1 0 334.420 2.255 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931045960 1206602616 /nfs/dbraw/zinc/60/26/16/1206602616.db2.gz ZSRNGERJZZBVEX-NHYWBVRUSA-N 1 0 338.383 2.087 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441829 1207381796 /nfs/dbraw/zinc/38/17/96/1207381796.db2.gz YYNFWRALCGXBMF-QLFBSQMISA-N 1 0 346.431 2.114 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000931494607 1207397104 /nfs/dbraw/zinc/39/71/04/1207397104.db2.gz ZWIGVVLYKQYVOA-IRXDYDNUSA-N 1 0 341.415 2.058 20 5 EEBDRO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931722477 1207448498 /nfs/dbraw/zinc/44/84/98/1207448498.db2.gz IHYPLYSRHXPVDM-GOEBONIOSA-N 1 0 332.404 2.092 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933292105 1207754235 /nfs/dbraw/zinc/75/42/35/1207754235.db2.gz DDYJMKUWDHWIDL-ULQDDVLXSA-N 1 0 331.416 2.497 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000934161780 1207913852 /nfs/dbraw/zinc/91/38/52/1207913852.db2.gz GIYCFIQAAMDUDZ-UKTARXLSSA-N 1 0 338.408 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934232714 1207927981 /nfs/dbraw/zinc/92/79/81/1207927981.db2.gz FVYWHPMPFLJVOV-ZDUSSCGKSA-N 1 0 328.372 2.458 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001111311155 1210131697 /nfs/dbraw/zinc/13/16/97/1210131697.db2.gz PQERQNMRZRJIFF-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420406058 1217547031 /nfs/dbraw/zinc/54/70/31/1217547031.db2.gz QJZATCPKIOGCBE-KRWDZBQOSA-N 1 0 332.404 2.060 20 5 EEBDRO CC(C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796580957 1221430555 /nfs/dbraw/zinc/43/05/55/1221430555.db2.gz RTHWAUQKBJWECW-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CC1(NC(=O)c2cn[nH]c2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045375968 1233703835 /nfs/dbraw/zinc/70/38/35/1233703835.db2.gz YFRMERZOFXNIHC-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO O=C(c1ccoc1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048676651 1238264845 /nfs/dbraw/zinc/26/48/45/1238264845.db2.gz HGXYUHIOEVEUMT-IYBDPMFKSA-N 1 0 341.367 2.392 20 5 EEBDRO CCC(CC)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000156392 1240006010 /nfs/dbraw/zinc/00/60/10/1240006010.db2.gz YQTYJYYITTZFFD-HZPDHXFCSA-N 1 0 337.464 2.449 20 5 EEBDRO O=C(NCC1=CC[N@H+](Cc2ccc(CF)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670136 1240699448 /nfs/dbraw/zinc/69/94/48/1240699448.db2.gz OBHXLIKLSNTVMB-IAGOWNOFSA-N 1 0 347.390 2.070 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097050014 1243623079 /nfs/dbraw/zinc/62/30/79/1243623079.db2.gz ALAVXMWPMMDXBL-HDJSIYSDSA-N 1 0 334.420 2.386 20 5 EEBDRO C[NH+](C)C1(C(=O)NCCN(c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC001101398312 1245764673 /nfs/dbraw/zinc/76/46/73/1245764673.db2.gz FJRVFGOIZAFPMT-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000114508353 1293591632 /nfs/dbraw/zinc/59/16/32/1293591632.db2.gz DOJABHNOSKHIRC-KRWDZBQOSA-N 1 0 332.356 2.306 20 5 EEBDRO COC(=O)c1ccnc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000856749827 1293619975 /nfs/dbraw/zinc/61/99/75/1293619975.db2.gz XFYQZZHEZUHNDH-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000856801403 1293639744 /nfs/dbraw/zinc/63/97/44/1293639744.db2.gz PQDORVRZDRJZBD-QGZVFWFLSA-N 1 0 330.388 2.274 20 5 EEBDRO O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@H]1CC[NH2+]C1 ZINC001218179628 1297592391 /nfs/dbraw/zinc/59/23/91/1297592391.db2.gz BLCZTOCMBOFAHM-VIFPVBQESA-N 1 0 334.357 2.044 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2OCCC[N+](C)(C)C ZINC001224619668 1300672134 /nfs/dbraw/zinc/67/21/34/1300672134.db2.gz PZUCSUKCHLNGPM-QAPCUYQASA-N 1 0 343.488 2.268 20 5 EEBDRO COCCC[NH+]1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001226440948 1301413908 /nfs/dbraw/zinc/41/39/08/1301413908.db2.gz IWCKWIUVCXDXBM-UHFFFAOYSA-N 1 0 346.387 2.418 20 5 EEBDRO CC(C)(C)OCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226968702 1301629531 /nfs/dbraw/zinc/62/95/31/1301629531.db2.gz CXGVIGSDEGUSMC-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C(F)(F)F)c1 ZINC001227857824 1301989814 /nfs/dbraw/zinc/98/98/14/1301989814.db2.gz KMAPWDXKSLUCFS-LLVKDONJSA-N 1 0 336.330 2.077 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143173 1302123570 /nfs/dbraw/zinc/12/35/70/1302123570.db2.gz JXHNYRVZFQHYOG-OCCSQVGLSA-N 1 0 344.371 2.380 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243035 1302170601 /nfs/dbraw/zinc/17/06/01/1302170601.db2.gz SNOUDFZRHQAZIC-GFCCVEGCSA-N 1 0 332.360 2.495 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(Cl)cc2s1 ZINC001228925871 1302526864 /nfs/dbraw/zinc/52/68/64/1302526864.db2.gz BIEGJZAQWNYLJA-SNVBAGLBSA-N 1 0 329.829 2.312 20 5 EEBDRO CCCSc1nc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229792271 1302945867 /nfs/dbraw/zinc/94/58/67/1302945867.db2.gz PYUXOKZRMPPNMU-VIFPVBQESA-O 1 0 331.418 2.066 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231196220 1303676212 /nfs/dbraw/zinc/67/62/12/1303676212.db2.gz GIAMUBZFANTEGZ-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(N3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC001234359064 1304897595 /nfs/dbraw/zinc/89/75/95/1304897595.db2.gz CIGZYWUHHQZERB-MIFYACCESA-N 1 0 347.415 2.435 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2(C)CC2)CCCCC1 ZINC001115548002 1305322699 /nfs/dbraw/zinc/32/26/99/1305322699.db2.gz AWJBONHRRQSPGZ-UHFFFAOYSA-N 1 0 349.435 2.037 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)COc1ccccc1F ZINC001120480238 1309571120 /nfs/dbraw/zinc/57/11/20/1309571120.db2.gz OIGSXMGAMYZEIQ-ZDUSSCGKSA-N 1 0 349.362 2.175 20 5 EEBDRO COC(=O)[C@H](CCCC[NH3+])N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246149477 1310247708 /nfs/dbraw/zinc/24/77/08/1310247708.db2.gz BRUFICGZPUTMDH-RDJZCZTQSA-N 1 0 349.431 2.102 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@H](C(F)(F)F)C[NH2+]2)n1 ZINC001247750524 1310710287 /nfs/dbraw/zinc/71/02/87/1310710287.db2.gz HWBDDPDWJSHNJQ-IYSWYEEDSA-N 1 0 347.228 2.392 20 5 EEBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001123835573 1310722916 /nfs/dbraw/zinc/72/29/16/1310722916.db2.gz BXGMDWONOYPCIG-VNQPRFMTSA-N 1 0 331.416 2.374 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834353445 1314826886 /nfs/dbraw/zinc/82/68/86/1314826886.db2.gz HVCRHTDITJWHQK-JEBQAFNWSA-N 1 0 330.384 2.382 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162289 1315493619 /nfs/dbraw/zinc/49/36/19/1315493619.db2.gz SHUFBYWZQKGRGQ-SSDOTTSWSA-N 1 0 331.170 2.216 20 5 EEBDRO [NH3+]C1(c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)CCCC1 ZINC000842592355 1315727650 /nfs/dbraw/zinc/72/76/50/1315727650.db2.gz JMXDTXQOEGMKJZ-UHFFFAOYSA-N 1 0 347.331 2.399 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000842615410 1315732693 /nfs/dbraw/zinc/73/26/93/1315732693.db2.gz MEXSFCQKCZWSDY-OLZOCXBDSA-N 1 0 347.371 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CCO)c2ccccc2)cc1 ZINC000843078648 1315836450 /nfs/dbraw/zinc/83/64/50/1315836450.db2.gz ZTLWFWAZCVUXJA-SJLPKXTDSA-N 1 0 330.384 2.384 20 5 EEBDRO Cc1c(-c2nc([C@@H]([NH3+])C(C)C)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000843150761 1315855757 /nfs/dbraw/zinc/85/57/57/1315855757.db2.gz DHQKNVBUMYPMGW-LBPRGKRZSA-N 1 0 343.347 2.190 20 5 EEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000843154178 1315856913 /nfs/dbraw/zinc/85/69/13/1315856913.db2.gz NWVKTLFZQYXTHF-CQSZACIVSA-N 1 0 347.375 2.137 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843345740 1315894801 /nfs/dbraw/zinc/89/48/01/1315894801.db2.gz BRIJLAPGTJDJCV-GHMZBOCLSA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000843346964 1315895495 /nfs/dbraw/zinc/89/54/95/1315895495.db2.gz PVEULAVTQQQOKS-OAHLLOKOSA-N 1 0 338.364 2.305 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C[NH3+])C1 ZINC000843347877 1315895607 /nfs/dbraw/zinc/89/56/07/1315895607.db2.gz XMTSEKJAUSCXHJ-QWRGUYRKSA-N 1 0 340.811 2.246 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000843494164 1315923294 /nfs/dbraw/zinc/92/32/94/1315923294.db2.gz IEXFSLIVURFKDZ-LSDHHAIUSA-N 1 0 329.400 2.428 20 5 EEBDRO Cc1cccc(OCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001150886485 1316401871 /nfs/dbraw/zinc/40/18/71/1316401871.db2.gz LHRRWGXFYVWKOD-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO O=C(/C=C/c1ccco1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154222125 1316999461 /nfs/dbraw/zinc/99/94/61/1316999461.db2.gz PBBDJKWCAUYOQQ-CMDGGOBGSA-N 1 0 329.356 2.497 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC001154585126 1317217717 /nfs/dbraw/zinc/21/77/17/1317217717.db2.gz PBSIGBRXVNRQDV-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154846896 1317348305 /nfs/dbraw/zinc/34/83/05/1317348305.db2.gz IVOFFIVIJFPAPJ-UHFFFAOYSA-N 1 0 327.266 2.148 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592074 1317663770 /nfs/dbraw/zinc/66/37/70/1317663770.db2.gz LUXVPEPYUMNBTP-YGRLFVJLSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001155662504 1317694101 /nfs/dbraw/zinc/69/41/01/1317694101.db2.gz HSIGSUYHTNAUSB-NSHDSACASA-N 1 0 332.738 2.376 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001156411357 1317999390 /nfs/dbraw/zinc/99/93/90/1317999390.db2.gz CSPDSJWSFYLFDH-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccccc1 ZINC001254577538 1318127387 /nfs/dbraw/zinc/12/73/87/1318127387.db2.gz FJLTZHRSCDNCOF-KRWDZBQOSA-N 1 0 339.395 2.358 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586746 1318135096 /nfs/dbraw/zinc/13/50/96/1318135096.db2.gz SRZIAULDZIYBMK-SJORKVTESA-N 1 0 343.427 2.443 20 5 EEBDRO Nc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] ZINC001159545618 1319873250 /nfs/dbraw/zinc/87/32/50/1319873250.db2.gz KXGVJOVQCOMJPY-UHFFFAOYSA-N 1 0 331.420 2.306 20 5 EEBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159678092 1319945997 /nfs/dbraw/zinc/94/59/97/1319945997.db2.gz OAYUSQVODBWNTI-QWHCGFSZSA-N 1 0 328.803 2.429 20 5 EEBDRO COc1ncc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160057322 1320059509 /nfs/dbraw/zinc/05/95/09/1320059509.db2.gz JUTOUWUCKSAOEM-UHFFFAOYSA-N 1 0 347.350 2.291 20 5 EEBDRO [NH3+]CCc1cc2ccccc2n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160126290 1320077139 /nfs/dbraw/zinc/07/71/39/1320077139.db2.gz OURVGOFMMXGLEA-UHFFFAOYSA-N 1 0 332.747 2.327 20 5 EEBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160661170 1320224948 /nfs/dbraw/zinc/22/49/48/1320224948.db2.gz FJUOMZKMKLLGOD-LBPRGKRZSA-N 1 0 345.359 2.499 20 5 EEBDRO COCCC1(CNc2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC001161496796 1320519004 /nfs/dbraw/zinc/51/90/04/1320519004.db2.gz AIWCXGATLZVYGR-UHFFFAOYSA-N 1 0 328.800 2.461 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2(CC3CCC3)CCOCC2)nc1C1C[NH2+]C1 ZINC001161922477 1320677543 /nfs/dbraw/zinc/67/75/43/1320677543.db2.gz BJVDVSLFMPANIJ-UHFFFAOYSA-N 1 0 347.419 2.223 20 5 EEBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2cccc(Cl)c12 ZINC001162654217 1320921960 /nfs/dbraw/zinc/92/19/60/1320921960.db2.gz QTUXOVRCHXHZSN-UHFFFAOYSA-N 1 0 332.747 2.327 20 5 EEBDRO CCOc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163053416 1321024697 /nfs/dbraw/zinc/02/46/97/1321024697.db2.gz QXNMIWMMUAJXHQ-LBPRGKRZSA-N 1 0 332.360 2.167 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163158357 1321054483 /nfs/dbraw/zinc/05/44/83/1321054483.db2.gz KLBHOIIWNABVCS-BONVTDFDSA-N 1 0 341.795 2.213 20 5 EEBDRO CC(C)(C)c1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163163408 1321055399 /nfs/dbraw/zinc/05/53/99/1321055399.db2.gz JKUICEDYGMKWFJ-KYOSRNDESA-N 1 0 334.420 2.324 20 5 EEBDRO COc1cc([N+](=O)[O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1F ZINC001163285858 1321088112 /nfs/dbraw/zinc/08/81/12/1321088112.db2.gz WYTTVPWFOMAKBM-ZBEGNZNMSA-N 1 0 339.367 2.313 20 5 EEBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(C)nc(Cl)c2[N+](=O)[O-])c1 ZINC001163305523 1321092528 /nfs/dbraw/zinc/09/25/28/1321092528.db2.gz FAUQJZMKNVDRIS-LLVKDONJSA-N 1 0 337.767 2.467 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H](C)C1 ZINC001163366703 1321106170 /nfs/dbraw/zinc/10/61/70/1321106170.db2.gz WJEHZYBPBZIMER-JQWIXIFHSA-N 1 0 328.800 2.412 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccn[nH]1 ZINC001163524186 1321149411 /nfs/dbraw/zinc/14/94/11/1321149411.db2.gz QDNNGJRJBNATQG-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc3cc(Br)cnc32)C1 ZINC001164281606 1321338406 /nfs/dbraw/zinc/33/84/06/1321338406.db2.gz ILNIXPNRGXMZFI-JTQLQIEISA-N 1 0 337.177 2.443 20 5 EEBDRO Cc1nc(N2CCC(C[NH3+])(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001164442562 1321379762 /nfs/dbraw/zinc/37/97/62/1321379762.db2.gz DLSHFEJLARGDQH-UHFFFAOYSA-N 1 0 327.388 2.190 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1Cl ZINC001165430443 1321525213 /nfs/dbraw/zinc/52/52/13/1321525213.db2.gz NGISFGHEDDUMHO-UWVGGRQHSA-N 1 0 328.775 2.465 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]2CF)CC1 ZINC001165432889 1321525551 /nfs/dbraw/zinc/52/55/51/1321525551.db2.gz UZXQGDSFEBESMK-GXFFZTMASA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001263134228 1322436756 /nfs/dbraw/zinc/43/67/56/1322436756.db2.gz OLNPDVKRIMGFCJ-CYBMUJFWSA-N 1 0 337.445 2.345 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001263133988 1322436966 /nfs/dbraw/zinc/43/69/66/1322436966.db2.gz IYOJDHYJYWILPZ-VIFPVBQESA-N 1 0 329.809 2.073 20 5 EEBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC001307214720 1331517284 /nfs/dbraw/zinc/51/72/84/1331517284.db2.gz QOVAUQIPMBTWMU-HNNXBMFYSA-N 1 0 331.347 2.377 20 5 EEBDRO Nc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC001310991962 1331740601 /nfs/dbraw/zinc/74/06/01/1331740601.db2.gz IHOOVTSYFXBOLA-CYBMUJFWSA-N 1 0 333.392 2.315 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001319748469 1332757560 /nfs/dbraw/zinc/75/75/60/1332757560.db2.gz UGQNHQBDSGLOIL-MRXNPFEDSA-N 1 0 332.404 2.017 20 5 EEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717994 1332940323 /nfs/dbraw/zinc/94/03/23/1332940323.db2.gz XJIIWRDBQSVRLQ-RYUDHWBXSA-N 1 0 338.360 2.043 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCC1 ZINC001322418015 1333261641 /nfs/dbraw/zinc/26/16/41/1333261641.db2.gz XCRNNIUTGZVUME-UHFFFAOYSA-N 1 0 336.461 2.494 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001324253812 1333643504 /nfs/dbraw/zinc/64/35/04/1333643504.db2.gz IUCCUWXBOLRINS-INIZCTEOSA-N 1 0 342.399 2.033 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001326074038 1334023621 /nfs/dbraw/zinc/02/36/21/1334023621.db2.gz DSGHYKVUDLEJRZ-MRVPVSSYSA-N 1 0 345.197 2.477 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001609212753 1351894918 /nfs/dbraw/zinc/89/49/18/1351894918.db2.gz JQVSXIDZRPGUTE-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327497815 1334302057 /nfs/dbraw/zinc/30/20/57/1334302057.db2.gz DSJBXUCVPADCEK-UHFFFAOYSA-N 1 0 338.367 2.423 20 5 EEBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001330609006 1334876450 /nfs/dbraw/zinc/87/64/50/1334876450.db2.gz BLCANZLHJAZQJL-QGZVFWFLSA-N 1 0 341.367 2.016 20 5 EEBDRO Cc1cc(N(C)CC2([NH+](C)C)CCC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609404419 1351963571 /nfs/dbraw/zinc/96/35/71/1351963571.db2.gz XSEHPPDWUAERLN-UHFFFAOYSA-N 1 0 345.407 2.004 20 5 EEBDRO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001332067668 1335718760 /nfs/dbraw/zinc/71/87/60/1335718760.db2.gz CSUZFBNNGZGLJU-LLVKDONJSA-N 1 0 340.177 2.021 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1 ZINC001336762282 1336591149 /nfs/dbraw/zinc/59/11/49/1336591149.db2.gz BXMUJFQQPXAGTG-CVEARBPZSA-N 1 0 338.310 2.230 20 5 EEBDRO C[NH2+]CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(C)C ZINC001341128995 1337283080 /nfs/dbraw/zinc/28/30/80/1337283080.db2.gz ZIZIGMYWFKPMGY-UHFFFAOYSA-N 1 0 331.775 2.386 20 5 EEBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001350432396 1337710577 /nfs/dbraw/zinc/71/05/77/1337710577.db2.gz ZSFKEFUKAAKACZ-UHFFFAOYSA-N 1 0 348.432 2.126 20 5 EEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001351162651 1337791294 /nfs/dbraw/zinc/79/12/94/1337791294.db2.gz JGVYUEBSRDMBTD-MEBBXXQBSA-N 1 0 341.770 2.270 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001576118287 1343968368 /nfs/dbraw/zinc/96/83/68/1343968368.db2.gz YEHRSVJEFUTQEA-YPMHNXCESA-N 1 0 349.387 2.098 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911031 1344074913 /nfs/dbraw/zinc/07/49/13/1344074913.db2.gz WSQHSPOPANAWEE-TVQRCGJNSA-N 1 0 334.376 2.004 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001577307703 1344125626 /nfs/dbraw/zinc/12/56/26/1344125626.db2.gz GUWKSSQJTSVCSE-MWLCHTKSSA-N 1 0 329.759 2.392 20 5 EEBDRO CO[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001578908840 1344317856 /nfs/dbraw/zinc/31/78/56/1344317856.db2.gz KLHCETPPXRJQCB-RDJZCZTQSA-N 1 0 335.404 2.090 20 5 EEBDRO COc1cc(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])c([N+](=O)[O-])cc1O ZINC001579153567 1344344742 /nfs/dbraw/zinc/34/47/42/1344344742.db2.gz GDGTVFOSWCKDTH-CXAGYDPISA-N 1 0 329.356 2.023 20 5 EEBDRO [NH3+]C[C@H]1CCc2ccccc2N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001580269490 1344504288 /nfs/dbraw/zinc/50/42/88/1344504288.db2.gz OGVGFDAJSULQBE-AEFFLSMTSA-N 1 0 327.384 2.408 20 5 EEBDRO CC(C)[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589457379 1348992461 /nfs/dbraw/zinc/99/24/61/1348992461.db2.gz VDJVWWHNWOYICI-AWEZNQCLSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001589969767 1349086755 /nfs/dbraw/zinc/08/67/55/1349086755.db2.gz FQJWRXBDWQRJBM-JTQLQIEISA-N 1 0 325.332 2.021 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590258862 1349233132 /nfs/dbraw/zinc/23/31/32/1349233132.db2.gz DBAJFDMOISFYQF-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603288584 1350681090 /nfs/dbraw/zinc/68/10/90/1350681090.db2.gz YXZDNHQIYOHMKS-UHFFFAOYSA-N 1 0 333.396 2.165 20 5 EEBDRO CO[C@](C)([C@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997304 1351048917 /nfs/dbraw/zinc/04/89/17/1351048917.db2.gz BILMEVXITOPHMD-MGPLVRAMSA-N 1 0 346.391 2.068 20 5 EEBDRO Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC001605856979 1351238461 /nfs/dbraw/zinc/23/84/61/1351238461.db2.gz XCKRZYUZYIUPQP-UHFFFAOYSA-N 1 0 330.373 2.435 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000852838036 1369307019 /nfs/dbraw/zinc/30/70/19/1369307019.db2.gz RYWYQLCXTSMULW-CQSZACIVSA-N 1 0 346.431 2.337 20 5 EEBDRO CC[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000853686043 1369368089 /nfs/dbraw/zinc/36/80/89/1369368089.db2.gz DOIKJCWTYYRBGB-GFCCVEGCSA-N 1 0 332.404 2.400 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000861033911 1369484176 /nfs/dbraw/zinc/48/41/76/1369484176.db2.gz YJRCKSVZCDZTKY-ZDUSSCGKSA-N 1 0 347.371 2.344 20 5 EEBDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886837593 1369681349 /nfs/dbraw/zinc/68/13/49/1369681349.db2.gz JSODQVLXLCFPSF-OAHLLOKOSA-N 1 0 328.372 2.145 20 5 EEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C1 ZINC000839533489 1372909167 /nfs/dbraw/zinc/90/91/67/1372909167.db2.gz UTNQPCXNFDNLMS-KBRIMQKVSA-N 1 0 331.416 2.200 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000849429422 1373257886 /nfs/dbraw/zinc/25/78/86/1373257886.db2.gz PYSKNWIYIPPVQY-JTQLQIEISA-N 1 0 349.840 2.175 20 5 EEBDRO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH3+])CC1 ZINC001577616734 1403665406 /nfs/dbraw/zinc/66/54/06/1403665406.db2.gz XBNUECULMFSPIW-UHFFFAOYSA-N 1 0 330.392 2.191 20 5 EEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580250903 1403854621 /nfs/dbraw/zinc/85/46/21/1403854621.db2.gz WRDPUWYVTHJUOG-BJOHPYRUSA-N 1 0 325.315 2.217 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592007808 1403983854 /nfs/dbraw/zinc/98/38/54/1403983854.db2.gz MFNWCQWBPYTOBP-UHFFFAOYSA-N 1 0 345.407 2.004 20 5 EEBDRO CN(C)/C=C/c1cc(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001165044487 721948582 /nfs/dbraw/zinc/94/85/82/721948582.db2.gz BJSZMCUDRKVUDV-BQYQJAHWSA-N 1 0 333.436 2.300 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2c(Cl)nccc2[N+](=O)[O-])COC1 ZINC001167368700 758158998 /nfs/dbraw/zinc/15/89/98/758158998.db2.gz XZCGMNRROHITEC-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO CCn1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001167436000 759379916 /nfs/dbraw/zinc/37/99/16/759379916.db2.gz XVUZMVFAWMFOSU-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104407489 760340388 /nfs/dbraw/zinc/34/03/88/760340388.db2.gz SNASVSSPPYCCEK-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000780865694 760481206 /nfs/dbraw/zinc/48/12/06/760481206.db2.gz ICOMEFQDBICPRG-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104424267 760678593 /nfs/dbraw/zinc/67/85/93/760678593.db2.gz VXSULLTZRNGQSD-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127684197 778776252 /nfs/dbraw/zinc/77/62/52/778776252.db2.gz JGHMKCNZVYXNHB-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001091486037 790974875 /nfs/dbraw/zinc/97/48/75/790974875.db2.gz LIBRBFSIOBZKKB-HDJSIYSDSA-N 1 0 346.431 2.386 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000818974486 785368137 /nfs/dbraw/zinc/36/81/37/785368137.db2.gz AYNTTZWBYFUPJV-GOSISDBHSA-N 1 0 327.384 2.234 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1 ZINC000819210089 785471594 /nfs/dbraw/zinc/47/15/94/785471594.db2.gz RMSVAEPQWNSXNC-JKSUJKDBSA-N 1 0 336.388 2.294 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000819210086 785472275 /nfs/dbraw/zinc/47/22/75/785472275.db2.gz RMSVAEPQWNSXNC-CVEARBPZSA-N 1 0 336.388 2.294 20 5 EEBDRO CCCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996430002 786397440 /nfs/dbraw/zinc/39/74/40/786397440.db2.gz YCBMYLOWOQOMCK-QZTJIDSGSA-N 1 0 345.443 2.385 20 5 EEBDRO O=C(c1cc[nH]c1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996636068 786904388 /nfs/dbraw/zinc/90/43/88/786904388.db2.gz ZOWPUMUTULHMCX-UHFFFAOYSA-N 1 0 334.401 2.379 20 5 EEBDRO C[NH+](C)CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825510709 788659579 /nfs/dbraw/zinc/65/95/79/788659579.db2.gz FHLNPKBEAHIDJN-QGZVFWFLSA-N 1 0 343.383 2.223 20 5 EEBDRO CCCc1onc(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127112210 789338879 /nfs/dbraw/zinc/33/88/79/789338879.db2.gz MDJPDZZAAYHGGX-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO COc1cc(NCc2ccccc2N2CC[NH2+]CC2)cnc1[N+](=O)[O-] ZINC001171283469 791439154 /nfs/dbraw/zinc/43/91/54/791439154.db2.gz GCKFZTICGIQUBE-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO O=C(CCC[NH+]1CCCCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093648310 795512424 /nfs/dbraw/zinc/51/24/24/795512424.db2.gz OAUHBSIESZMSCL-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO Cc1nc(NCCNC(=O)CCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001093648025 795512769 /nfs/dbraw/zinc/51/27/69/795512769.db2.gz DWAFTSUGTHPZER-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001094247666 796036959 /nfs/dbraw/zinc/03/69/59/796036959.db2.gz CEPHRRBDQBKCOI-UHFFFAOYSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1cc(NCCCNC(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001094737134 796553946 /nfs/dbraw/zinc/55/39/46/796553946.db2.gz XEZVUJSRRBKPLJ-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NC1CCCC1 ZINC001172898122 797127585 /nfs/dbraw/zinc/12/75/85/797127585.db2.gz GRARNBYYRRNTCW-OAHLLOKOSA-N 1 0 331.416 2.491 20 5 EEBDRO C[C@@]1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS(=O)(=O)C1 ZINC001172911246 797170056 /nfs/dbraw/zinc/17/00/56/797170056.db2.gz HWOADRSSSNEJAL-GDBMZVCRSA-N 1 0 338.429 2.009 20 5 EEBDRO C[C@@H](O)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009112 797195215 /nfs/dbraw/zinc/19/52/15/797195215.db2.gz RBFQDGSAUZMIRA-SNVBAGLBSA-N 1 0 329.347 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCCNC(C)=O)c1F ZINC001173181517 797279487 /nfs/dbraw/zinc/27/94/87/797279487.db2.gz FFHJZLUYQBQZDD-NSHDSACASA-N 1 0 341.383 2.179 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccncn2)c1F ZINC001173184518 797280365 /nfs/dbraw/zinc/28/03/65/797280365.db2.gz NPWFLIXWTMOCQS-LLVKDONJSA-N 1 0 334.351 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c1F ZINC001173189182 797281256 /nfs/dbraw/zinc/28/12/56/797281256.db2.gz NENNKWCMNCFJDP-LLVKDONJSA-N 1 0 349.362 2.162 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001173231790 797312036 /nfs/dbraw/zinc/31/20/36/797312036.db2.gz DDTHWNXNKKZZEP-CYBMUJFWSA-N 1 0 333.388 2.442 20 5 EEBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173234787 797313701 /nfs/dbraw/zinc/31/37/01/797313701.db2.gz UDSXOUAGRBYYHS-BBRMVZONSA-N 1 0 348.399 2.037 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000917092258 798077061 /nfs/dbraw/zinc/07/70/61/798077061.db2.gz PYXMGRSCBMZOGH-UHFFFAOYSA-N 1 0 344.415 2.019 20 5 EEBDRO CCCc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002786679 798608455 /nfs/dbraw/zinc/60/84/55/798608455.db2.gz DZEDKLDLKPGPLY-QZTJIDSGSA-N 1 0 345.443 2.385 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177313793 798852875 /nfs/dbraw/zinc/85/28/75/798852875.db2.gz PXZISBYPFPJUHR-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC001086012760 801931834 /nfs/dbraw/zinc/93/18/34/801931834.db2.gz NFDWRAUCZLSZEJ-FZNQNYSPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001086397578 802892588 /nfs/dbraw/zinc/89/25/88/802892588.db2.gz YXHORAPTKFDRDU-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168883053 803500127 /nfs/dbraw/zinc/50/01/27/803500127.db2.gz GJGIJVNCLKFHQT-UHFFFAOYSA-N 1 0 328.307 2.144 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168974664 803557704 /nfs/dbraw/zinc/55/77/04/803557704.db2.gz SCVALJDVWOZTJP-IGQOVBAYSA-N 1 0 327.425 2.325 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)nc2)C1 ZINC001168999479 803565274 /nfs/dbraw/zinc/56/52/74/803565274.db2.gz UHNVHWHRJIGTQS-NVXWUHKLSA-N 1 0 349.431 2.422 20 5 EEBDRO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008248 803569464 /nfs/dbraw/zinc/56/94/64/803569464.db2.gz SKUUDBRLXHBCQC-CADBVGFASA-N 1 0 347.459 2.311 20 5 EEBDRO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2C1 ZINC001169026998 803574481 /nfs/dbraw/zinc/57/44/81/803574481.db2.gz OQSDJDJHXPOKQY-WCVJEAGWSA-N 1 0 347.415 2.261 20 5 EEBDRO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169039000 803582276 /nfs/dbraw/zinc/58/22/76/803582276.db2.gz MHLNMLRILFZQGP-RDJZCZTQSA-N 1 0 331.416 2.198 20 5 EEBDRO O=C1Cc2ccccc2N1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169026549 803592413 /nfs/dbraw/zinc/59/24/13/803592413.db2.gz MHPZCHLSNSTDFU-WMLDXEAASA-N 1 0 343.427 2.486 20 5 EEBDRO O=C1CC2(CN1CC1CC1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169053195 803595765 /nfs/dbraw/zinc/59/57/65/803595765.db2.gz HYGGXQIVHSHXEE-HOTGVXAUSA-N 1 0 335.448 2.156 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncoc1C1CC1 ZINC001170170898 809790019 /nfs/dbraw/zinc/79/00/19/809790019.db2.gz CIOUDIBLGIONLL-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170304260 809873678 /nfs/dbraw/zinc/87/36/78/809873678.db2.gz AQLAZKSZTMFEMG-SJKOYZFVSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncn2CCF)c([N+](=O)[O-])c1 ZINC001170328853 809892907 /nfs/dbraw/zinc/89/29/07/809892907.db2.gz WOQGQEGMESZACF-GFCCVEGCSA-N 1 0 336.367 2.490 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000793588352 810420417 /nfs/dbraw/zinc/42/04/17/810420417.db2.gz JABHUINSJOHABE-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO C[NH+](C)CCC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC001114179229 810532252 /nfs/dbraw/zinc/53/22/52/810532252.db2.gz AOPHVQYKEJJEIF-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO O=C(COCC1CCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129705183 810963089 /nfs/dbraw/zinc/96/30/89/810963089.db2.gz VUXSQOIUUJZBJP-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1ccc([N+](=O)[O-])cc1C ZINC000806589082 811943508 /nfs/dbraw/zinc/94/35/08/811943508.db2.gz BFKZNIOYFLNENC-ZDUSSCGKSA-N 1 0 337.449 2.179 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000337250065 282097248 /nfs/dbraw/zinc/09/72/48/282097248.db2.gz MLOBOIDARVPXNA-UHFFFAOYSA-N 1 0 334.401 2.255 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173665083 529930234 /nfs/dbraw/zinc/93/02/34/529930234.db2.gz SYSIXELXANWAAW-ZDUSSCGKSA-N 1 0 341.433 2.090 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000040713360 213373225 /nfs/dbraw/zinc/37/32/25/213373225.db2.gz CYJZCDDWMOFLTM-SNVBAGLBSA-N 1 0 327.182 2.258 20 5 EEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184086576 235303394 /nfs/dbraw/zinc/30/33/94/235303394.db2.gz FUCUTWBTVOYQFG-UHFFFAOYSA-N 1 0 349.840 2.114 20 5 EEBDRO Nc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000129683276 223080380 /nfs/dbraw/zinc/08/03/80/223080380.db2.gz VAEXTTYYISVOTR-UHFFFAOYSA-N 1 0 334.424 2.059 20 5 EEBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416098695 239065682 /nfs/dbraw/zinc/06/56/82/239065682.db2.gz SQKYZSRUKKLJGM-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000193095519 240016996 /nfs/dbraw/zinc/01/69/96/240016996.db2.gz XXLWFPQNWTVGHD-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193304271 240096771 /nfs/dbraw/zinc/09/67/71/240096771.db2.gz VGRKMESOIRZHOE-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422867681 240266596 /nfs/dbraw/zinc/26/65/96/240266596.db2.gz SXYCOFXZIOKSRK-ABAIWWIYSA-N 1 0 349.387 2.019 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427137093 241382398 /nfs/dbraw/zinc/38/23/98/241382398.db2.gz QXVQLFNXPQNTRN-GXFFZTMASA-N 1 0 327.331 2.380 20 5 EEBDRO C[C@H](CO)[N@@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450476103 242828847 /nfs/dbraw/zinc/82/88/47/242828847.db2.gz NAMAKTQYHLPMOJ-CYBMUJFWSA-N 1 0 330.388 2.036 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245770426 243154106 /nfs/dbraw/zinc/15/41/06/243154106.db2.gz MHSRILMXVOGGOZ-DANNLKNASA-N 1 0 333.388 2.469 20 5 EEBDRO C[C@H]([NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597822 243172119 /nfs/dbraw/zinc/17/21/19/243172119.db2.gz DLUPKRYTQYNYTO-YLVFBTJISA-N 1 0 347.415 2.309 20 5 EEBDRO CNc1nc(C(=O)NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000455606701 244037724 /nfs/dbraw/zinc/03/77/24/244037724.db2.gz YLXVGOKUIXUOOT-UHFFFAOYSA-N 1 0 349.435 2.418 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262618143 245069293 /nfs/dbraw/zinc/06/92/93/245069293.db2.gz HDHJJTGIUCDVHM-XQQFMLRXSA-N 1 0 335.429 2.428 20 5 EEBDRO CCC[N@H+](CC)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000080677894 217324886 /nfs/dbraw/zinc/32/48/86/217324886.db2.gz URFXDBDCXUQMGX-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264062777 246030299 /nfs/dbraw/zinc/03/02/99/246030299.db2.gz AKWFVIOFYVODFC-HNNXBMFYSA-N 1 0 330.388 2.102 20 5 EEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1C ZINC000491986780 246245742 /nfs/dbraw/zinc/24/57/42/246245742.db2.gz NGUWITJSPGOWBD-RYUDHWBXSA-N 1 0 334.376 2.446 20 5 EEBDRO Nc1nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000265157791 247256914 /nfs/dbraw/zinc/25/69/14/247256914.db2.gz VDXLHYVHSARLJZ-ZDUSSCGKSA-N 1 0 328.376 2.044 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000266398723 248281761 /nfs/dbraw/zinc/28/17/61/248281761.db2.gz PACNFFWVGKSSFK-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266564258 248361992 /nfs/dbraw/zinc/36/19/92/248361992.db2.gz ZAWLRJVNJPXCIU-QZTJIDSGSA-N 1 0 344.415 2.206 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000090017361 217910504 /nfs/dbraw/zinc/91/05/04/217910504.db2.gz NKLXJDPDCAYJHO-SWLSCSKDSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000132265398 533001051 /nfs/dbraw/zinc/00/10/51/533001051.db2.gz LZSBJJYMSFQKFA-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000246154793 256014469 /nfs/dbraw/zinc/01/44/69/256014469.db2.gz DHBOUYMBRPSQQU-CZUORRHYSA-N 1 0 334.420 2.119 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000267187095 256035347 /nfs/dbraw/zinc/03/53/47/256035347.db2.gz AXNQPLPTQRMGGW-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000270800984 256173936 /nfs/dbraw/zinc/17/39/36/256173936.db2.gz NPJASKIURHYNNL-RTBURBONSA-N 1 0 339.395 2.375 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000271325771 256233638 /nfs/dbraw/zinc/23/36/38/256233638.db2.gz PIEXNHBIJYRKDU-UHFFFAOYSA-N 1 0 345.403 2.012 20 5 EEBDRO Cc1ccnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273250741 256280948 /nfs/dbraw/zinc/28/09/48/256280948.db2.gz UXYUHBDYAQXEGE-INIZCTEOSA-N 1 0 342.399 2.477 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116127563 140766926 /nfs/dbraw/zinc/76/69/26/140766926.db2.gz MPNZBPXQQWHZOX-HNNXBMFYSA-N 1 0 337.420 2.456 20 5 EEBDRO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)C[NH+](C)C ZINC000182157213 143858515 /nfs/dbraw/zinc/85/85/15/143858515.db2.gz FUCNXPSMASVLTG-SNVBAGLBSA-N 1 0 337.376 2.030 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000495159076 286249268 /nfs/dbraw/zinc/24/92/68/286249268.db2.gz SLUUWXZHKVFWPI-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083026763 159160261 /nfs/dbraw/zinc/16/02/61/159160261.db2.gz QAVXXTVEFZWRMY-OKILXGFUSA-N 1 0 335.404 2.214 20 5 EEBDRO C[N@H+](CCC1CCOCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000120647048 159393351 /nfs/dbraw/zinc/39/33/51/159393351.db2.gz FGYXQRLGALSWJO-MRXNPFEDSA-N 1 0 338.404 2.083 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000179026783 159916617 /nfs/dbraw/zinc/91/66/17/159916617.db2.gz IHYMXNKNAFPGDI-LLVKDONJSA-N 1 0 346.412 2.400 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188052491 160115095 /nfs/dbraw/zinc/11/50/95/160115095.db2.gz MPBOVGGYXSKCDE-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246182194 160266412 /nfs/dbraw/zinc/26/64/12/160266412.db2.gz KMXJCWSAWWCYGS-GJZGRUSLSA-N 1 0 346.431 2.340 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247312749 160319787 /nfs/dbraw/zinc/31/97/87/160319787.db2.gz RFIHDLJXCKNSCB-HOCLYGCPSA-N 1 0 346.431 2.340 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000341772318 161012073 /nfs/dbraw/zinc/01/20/73/161012073.db2.gz LGQIZFVRAZMADD-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CNC(=O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000343857986 161175271 /nfs/dbraw/zinc/17/52/71/161175271.db2.gz WIYGVYCWGQDTMP-UHFFFAOYSA-N 1 0 333.344 2.089 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000343930258 161181591 /nfs/dbraw/zinc/18/15/91/161181591.db2.gz RYHCRRDDYFOCAK-LBPRGKRZSA-N 1 0 341.433 2.285 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344099390 161198364 /nfs/dbraw/zinc/19/83/64/161198364.db2.gz AZCQMXKTYSVMRF-NOLJZWGESA-N 1 0 335.379 2.471 20 5 EEBDRO CC[NH+](CC)[C@@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345164173 161277787 /nfs/dbraw/zinc/27/77/87/161277787.db2.gz RBDHWDOAAYCOOZ-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO C[N@H+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000355449552 163194810 /nfs/dbraw/zinc/19/48/10/163194810.db2.gz WZBNESNHMKXIHQ-UHFFFAOYSA-N 1 0 349.435 2.180 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000358374172 163896921 /nfs/dbraw/zinc/89/69/21/163896921.db2.gz YNGCJFMNUJVCGN-CYBMUJFWSA-N 1 0 343.387 2.243 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358981606 164028534 /nfs/dbraw/zinc/02/85/34/164028534.db2.gz OFDBIFYVZRCIDE-JTQLQIEISA-N 1 0 343.330 2.362 20 5 EEBDRO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359596197 164132923 /nfs/dbraw/zinc/13/29/23/164132923.db2.gz HGQNRJMLSJCNPC-KRWDZBQOSA-N 1 0 345.399 2.190 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000359813991 164176918 /nfs/dbraw/zinc/17/69/18/164176918.db2.gz YYXAWPMEDMTZPP-JTQLQIEISA-N 1 0 326.372 2.166 20 5 EEBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC=CCC1 ZINC000362262758 164622499 /nfs/dbraw/zinc/62/24/99/164622499.db2.gz QBBFLRYMEUDANB-HNNXBMFYSA-N 1 0 335.404 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)s2)cc1 ZINC000364326751 165096594 /nfs/dbraw/zinc/09/65/94/165096594.db2.gz HRQMVTBBWPXIQV-UONOGXRCSA-N 1 0 334.397 2.251 20 5 EEBDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000366441170 165764586 /nfs/dbraw/zinc/76/45/86/165764586.db2.gz XWQJFMDQKMSFCT-YQQAZPJKSA-N 1 0 347.415 2.227 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404096 167035707 /nfs/dbraw/zinc/03/57/07/167035707.db2.gz VZSBFRHVOGKGMX-UONOGXRCSA-N 1 0 336.388 2.341 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)ccc2c1 ZINC000375901293 167222211 /nfs/dbraw/zinc/22/22/11/167222211.db2.gz BBKXQFWDFSMBDN-DLBZAZTESA-N 1 0 342.399 2.178 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000376177044 167277085 /nfs/dbraw/zinc/27/70/85/167277085.db2.gz ZOGKQFYHCQFVGW-MRXNPFEDSA-N 1 0 346.431 2.014 20 5 EEBDRO CCOCC[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122575020 222116446 /nfs/dbraw/zinc/11/64/46/222116446.db2.gz IPBPUVHHSSCINC-UHFFFAOYSA-N 1 0 327.812 2.402 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000272702718 269011309 /nfs/dbraw/zinc/01/13/09/269011309.db2.gz ZAKMHQMCZLYDGZ-BZNIZROVSA-N 1 0 328.372 2.242 20 5 EEBDRO CO[C@@H](C)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805805 269055390 /nfs/dbraw/zinc/05/53/90/269055390.db2.gz GPMNZPPUTBSQTR-LBPRGKRZSA-N 1 0 333.392 2.018 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000275445558 269116367 /nfs/dbraw/zinc/11/63/67/269116367.db2.gz HTXZVZIFEBRNEM-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277932164 269198815 /nfs/dbraw/zinc/19/88/15/269198815.db2.gz NVGMSXOCLBEBLV-CQSZACIVSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H](CN1CCOCC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279321812 269271676 /nfs/dbraw/zinc/27/16/76/269271676.db2.gz OOGVOAQBZLMCOL-GFCCVEGCSA-N 1 0 347.371 2.134 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772190 274085004 /nfs/dbraw/zinc/08/50/04/274085004.db2.gz SBSNARMRFKKJPA-HOTGVXAUSA-N 1 0 345.399 2.031 20 5 EEBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000272092312 274165145 /nfs/dbraw/zinc/16/51/45/274165145.db2.gz JRECDONLTAMMPR-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272598211 274176633 /nfs/dbraw/zinc/17/66/33/274176633.db2.gz XLEIKXQMHUSMBR-UHFFFAOYSA-N 1 0 340.811 2.138 20 5 EEBDRO NC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343499 274190203 /nfs/dbraw/zinc/19/02/03/274190203.db2.gz IWJIBZOHDSUMTN-SMDDNHRTSA-N 1 0 344.371 2.183 20 5 EEBDRO COc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000276807572 274272106 /nfs/dbraw/zinc/27/21/06/274272106.db2.gz ZICYMVMGHNAVHE-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000277563611 274310236 /nfs/dbraw/zinc/31/02/36/274310236.db2.gz KKRQJHQSXWQHQS-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC[NH+]1CCC(O)CC1 ZINC000278329007 274347544 /nfs/dbraw/zinc/34/75/44/274347544.db2.gz IGGXELVKDPZLPB-UHFFFAOYSA-N 1 0 348.325 2.267 20 5 EEBDRO COc1cc(C[NH2+]CCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000278718341 274392635 /nfs/dbraw/zinc/39/26/35/274392635.db2.gz QHKGGYXOTYMWSH-UHFFFAOYSA-N 1 0 334.319 2.109 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000286020428 274828391 /nfs/dbraw/zinc/82/83/91/274828391.db2.gz HKEVPBLQVMOVCQ-FZMZJTMJSA-N 1 0 339.367 2.203 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286940440 274920348 /nfs/dbraw/zinc/92/03/48/274920348.db2.gz FCBSAKLOBSIGJR-CZUORRHYSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000365489595 275038221 /nfs/dbraw/zinc/03/82/21/275038221.db2.gz FWUVIUBWTDCMCY-LZLYRXPVSA-N 1 0 331.416 2.425 20 5 EEBDRO CCC(=O)c1ccc(NCCCN(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000288803503 275086329 /nfs/dbraw/zinc/08/63/29/275086329.db2.gz GCSYLOJQQNJHQQ-UHFFFAOYSA-N 1 0 336.436 2.483 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000290212097 275189770 /nfs/dbraw/zinc/18/97/70/275189770.db2.gz WAVSLCCMUARRAJ-SNVBAGLBSA-N 1 0 332.809 2.163 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290574045 275219375 /nfs/dbraw/zinc/21/93/75/275219375.db2.gz UPKLKKSKGKCDRK-CHWSQXEVSA-N 1 0 349.435 2.259 20 5 EEBDRO CC[N@@H+]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000267232647 276165023 /nfs/dbraw/zinc/16/50/23/276165023.db2.gz QHNJHUUBUZTFKQ-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262708432 279105211 /nfs/dbraw/zinc/10/52/11/279105211.db2.gz CACGHDKVSPBCMD-DTWKUNHWSA-N 1 0 342.193 2.180 20 5 EEBDRO C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253196562 279730513 /nfs/dbraw/zinc/73/05/13/279730513.db2.gz SWXXKCCRISPFTI-DTWKUNHWSA-N 1 0 329.198 2.173 20 5 EEBDRO Cc1c(Br)c(N2CCC[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165813766 280198229 /nfs/dbraw/zinc/19/82/29/280198229.db2.gz HKHPCEUJZJMPMV-VIFPVBQESA-N 1 0 329.198 2.236 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261614917 280356147 /nfs/dbraw/zinc/35/61/47/280356147.db2.gz TWTLSIUYXLYFKR-VHSXEESVSA-N 1 0 326.194 2.403 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293543291 293235268 /nfs/dbraw/zinc/23/52/68/293235268.db2.gz YESUIMPSISGKJW-OKILXGFUSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+](C2CCC2)C1 ZINC000293684317 293270442 /nfs/dbraw/zinc/27/04/42/293270442.db2.gz LSOBVOXQJZTOEV-GFCCVEGCSA-N 1 0 332.404 2.123 20 5 EEBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293726284 293280247 /nfs/dbraw/zinc/28/02/47/293280247.db2.gz QBKPSWRMYRXRBH-AWEZNQCLSA-N 1 0 346.431 2.340 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000294139314 293379970 /nfs/dbraw/zinc/37/99/70/293379970.db2.gz MTVABLQTNKBBMT-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000296874228 294090376 /nfs/dbraw/zinc/09/03/76/294090376.db2.gz AMKXHETZBUTKAD-VIFPVBQESA-N 1 0 331.294 2.425 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000298423530 294495475 /nfs/dbraw/zinc/49/54/75/294495475.db2.gz VURKBGRDIYLGQP-UHFFFAOYSA-N 1 0 334.376 2.352 20 5 EEBDRO Cn1cnc2cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])ccc21 ZINC000348889154 312284542 /nfs/dbraw/zinc/28/45/42/312284542.db2.gz CETOODGFNVUHBL-UHFFFAOYSA-N 1 0 325.372 2.447 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1C ZINC000349782454 312309076 /nfs/dbraw/zinc/30/90/76/312309076.db2.gz JJWYELBURMWSAF-GFCCVEGCSA-N 1 0 343.449 2.219 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415661346 313163936 /nfs/dbraw/zinc/16/39/36/313163936.db2.gz QMOBAABDLGRIED-NEPJUHHUSA-N 1 0 334.376 2.067 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000415767740 313181869 /nfs/dbraw/zinc/18/18/69/313181869.db2.gz UPIIQGBEMRKNTJ-UONOGXRCSA-N 1 0 336.392 2.127 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417731638 313579398 /nfs/dbraw/zinc/57/93/98/313579398.db2.gz RUCMKVQJYSYHAG-UKRRQHHQSA-N 1 0 334.420 2.357 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417731098 313579573 /nfs/dbraw/zinc/57/95/73/313579573.db2.gz RHIXOVWNQSLUBG-LSDHHAIUSA-N 1 0 334.420 2.344 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418661504 313874466 /nfs/dbraw/zinc/87/44/66/313874466.db2.gz QCBVCMJSDPAISH-JKSUJKDBSA-N 1 0 346.431 2.167 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420453758 313964167 /nfs/dbraw/zinc/96/41/67/313964167.db2.gz DMYYTDSSAVJLMX-AWEZNQCLSA-N 1 0 349.412 2.136 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422031503 314172260 /nfs/dbraw/zinc/17/22/60/314172260.db2.gz CDLPXFJIUSNNEA-HNNXBMFYSA-N 1 0 333.388 2.110 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000431358793 314628267 /nfs/dbraw/zinc/62/82/67/314628267.db2.gz VCVZNNGAHBAAKJ-UHFFFAOYSA-N 1 0 335.404 2.082 20 5 EEBDRO Cc1c(Br)c(=O)n(CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000436208186 314949489 /nfs/dbraw/zinc/94/94/89/314949489.db2.gz UVPFDPQZZGIDRX-UHFFFAOYSA-N 1 0 344.209 2.313 20 5 EEBDRO COc1cccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444606053 315310301 /nfs/dbraw/zinc/31/03/01/315310301.db2.gz DXSBOICLCTWWDU-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449152519 315424251 /nfs/dbraw/zinc/42/42/51/315424251.db2.gz GEFOASCEPLEWMG-QGZVFWFLSA-N 1 0 325.368 2.488 20 5 EEBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(C)(=O)=O ZINC000533588309 317922067 /nfs/dbraw/zinc/92/20/67/317922067.db2.gz LDTGVWNKRYFUGQ-NSHDSACASA-N 1 0 338.385 2.378 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH3+])cc1SC ZINC000569926585 319621304 /nfs/dbraw/zinc/62/13/04/319621304.db2.gz LGOAOBXSJZZIAW-SECBINFHSA-N 1 0 327.406 2.183 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000569988455 319626834 /nfs/dbraw/zinc/62/68/34/319626834.db2.gz LAPVTNWLHJJNFE-CHWSQXEVSA-N 1 0 346.387 2.389 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000571875343 319794912 /nfs/dbraw/zinc/79/49/12/319794912.db2.gz MRXYULKVQGMJKP-VXGBXAGGSA-N 1 0 330.331 2.360 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000576980895 320221976 /nfs/dbraw/zinc/22/19/76/320221976.db2.gz YJPDIYGIJNSIGK-UHFFFAOYSA-N 1 0 334.397 2.201 20 5 EEBDRO CNc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000581530214 324270927 /nfs/dbraw/zinc/27/09/27/324270927.db2.gz CYVRHBNQGNRJBX-GFCCVEGCSA-N 1 0 332.404 2.193 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000351501637 465188626 /nfs/dbraw/zinc/18/86/26/465188626.db2.gz JILNQYYVHMRLHW-DOTOQJQBSA-N 1 0 335.404 2.373 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659168 468298356 /nfs/dbraw/zinc/29/83/56/468298356.db2.gz HXMMTHNVCKJAIJ-KSSFIOAISA-N 1 0 348.399 2.253 20 5 EEBDRO O=C(NC1CC1)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000060379942 462545130 /nfs/dbraw/zinc/54/51/30/462545130.db2.gz GXELHLAGWUIIIQ-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO O=[N+]([O-])c1cccnc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089643990 462703054 /nfs/dbraw/zinc/70/30/54/462703054.db2.gz RXMANGRYBOYDFI-CABCVRRESA-N 1 0 328.372 2.037 20 5 EEBDRO COc1ccc(CC(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000521484742 468316542 /nfs/dbraw/zinc/31/65/42/468316542.db2.gz AJPIMHXAFJPDDF-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000047271297 462762610 /nfs/dbraw/zinc/76/26/10/462762610.db2.gz YDZZYVFOQJOIAP-UHFFFAOYSA-N 1 0 328.372 2.433 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)C1CC1 ZINC000090054329 462770468 /nfs/dbraw/zinc/77/04/68/462770468.db2.gz MDQMRSBREYXYJE-AEFFLSMTSA-N 1 0 334.416 2.293 20 5 EEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394387 462788121 /nfs/dbraw/zinc/78/81/21/462788121.db2.gz OYXUBTGRZMDHMS-CHWSQXEVSA-N 1 0 345.403 2.307 20 5 EEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214085 462798201 /nfs/dbraw/zinc/79/82/01/462798201.db2.gz GBDUSUFFBYCNEE-YOEHRIQHSA-N 1 0 344.415 2.316 20 5 EEBDRO CC(C)CO[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119970515 462947819 /nfs/dbraw/zinc/94/78/19/462947819.db2.gz JYSRCWFBDYTIGE-RDJZCZTQSA-N 1 0 338.404 2.081 20 5 EEBDRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049969147 462980224 /nfs/dbraw/zinc/98/02/24/462980224.db2.gz QAWSSCHWIWVRIT-AWEZNQCLSA-N 1 0 334.420 2.195 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000067684358 463035792 /nfs/dbraw/zinc/03/57/92/463035792.db2.gz FSODVWYPPPOTMQ-AWEZNQCLSA-N 1 0 349.435 2.036 20 5 EEBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000052940511 463119914 /nfs/dbraw/zinc/11/99/14/463119914.db2.gz BISOQFNBLWQBEJ-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122198582 463246191 /nfs/dbraw/zinc/24/61/91/463246191.db2.gz FUOSZQYBRQRAFA-UHFFFAOYSA-N 1 0 332.404 2.467 20 5 EEBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000029799924 463274489 /nfs/dbraw/zinc/27/44/89/463274489.db2.gz PVKTXSNDBRRULN-UHFFFAOYSA-N 1 0 344.371 2.377 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491319394 468349178 /nfs/dbraw/zinc/34/91/78/468349178.db2.gz JMWSWUKRZZMYPN-IORUMNFESA-N 1 0 333.363 2.490 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151039418 463469234 /nfs/dbraw/zinc/46/92/34/463469234.db2.gz CUNCGJSDLJENFY-MRXNPFEDSA-N 1 0 332.404 2.363 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000125659800 463566581 /nfs/dbraw/zinc/56/65/81/463566581.db2.gz KVXCWKKQKRXRJB-LBPRGKRZSA-N 1 0 340.383 2.357 20 5 EEBDRO Cc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000126148695 463610799 /nfs/dbraw/zinc/61/07/99/463610799.db2.gz AVYWNEBUBDJDCU-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164174563 463617104 /nfs/dbraw/zinc/61/71/04/463617104.db2.gz BLVCZGCBHZUDFQ-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000112309366 463697709 /nfs/dbraw/zinc/69/77/09/463697709.db2.gz UGWYCBORNBFSBY-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000184972483 463728302 /nfs/dbraw/zinc/72/83/02/463728302.db2.gz DCZZDVHGMZQGEP-RBSFLKMASA-N 1 0 344.415 2.004 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc(F)c1 ZINC000579582316 468378653 /nfs/dbraw/zinc/37/86/53/468378653.db2.gz VISIJKMBZJTDOA-HNNXBMFYSA-N 1 0 334.347 2.306 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261760898 463850927 /nfs/dbraw/zinc/85/09/27/463850927.db2.gz NTMQXGRVOXCNAO-ZJUUUORDSA-N 1 0 341.209 2.249 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000261812639 463867391 /nfs/dbraw/zinc/86/73/91/463867391.db2.gz GPXXHFCMHZYBTQ-JTQLQIEISA-N 1 0 332.385 2.049 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283492497 463904486 /nfs/dbraw/zinc/90/44/86/463904486.db2.gz OFFYEEDDJARYJP-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO COc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000269260734 463931635 /nfs/dbraw/zinc/93/16/35/463931635.db2.gz QQWGGLHKFUPXNJ-AGUYFDCRSA-N 1 0 333.388 2.140 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262758623 464043979 /nfs/dbraw/zinc/04/39/79/464043979.db2.gz PRVFETFDKMFQKR-MLGOLLRUSA-N 1 0 343.387 2.122 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C ZINC000262816567 464048146 /nfs/dbraw/zinc/04/81/46/464048146.db2.gz PEQRQCWEYYSANH-CABCVRRESA-N 1 0 349.434 2.364 20 5 EEBDRO CC[NH+]1CCN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269676433 464054631 /nfs/dbraw/zinc/05/46/31/464054631.db2.gz YQPKXGVEESZAGV-UHFFFAOYSA-N 1 0 328.363 2.313 20 5 EEBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[NH2+]C1 ZINC000179092385 464054964 /nfs/dbraw/zinc/05/49/64/464054964.db2.gz VWFSKTFVYFKBGE-LBPRGKRZSA-N 1 0 332.385 2.152 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000195518846 464067888 /nfs/dbraw/zinc/06/78/88/464067888.db2.gz GCYLCABTLAXTJU-UHFFFAOYSA-N 1 0 331.376 2.179 20 5 EEBDRO Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000172460012 464084655 /nfs/dbraw/zinc/08/46/55/464084655.db2.gz OWCWZRIKTKOQHA-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]3CCO)n2)c1 ZINC000279373637 464094258 /nfs/dbraw/zinc/09/42/58/464094258.db2.gz XGMGSTPPFMNYOQ-SMDDNHRTSA-N 1 0 332.360 2.286 20 5 EEBDRO Cc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907308 464125718 /nfs/dbraw/zinc/12/57/18/464125718.db2.gz HHCUQLHARSYNEL-WMZOPIPTSA-N 1 0 330.384 2.477 20 5 EEBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263700478 464158737 /nfs/dbraw/zinc/15/87/37/464158737.db2.gz IMJXICNVWVMMFE-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237309437 464302302 /nfs/dbraw/zinc/30/23/02/464302302.db2.gz IRLGLHLDJOVWMU-UHFFFAOYSA-N 1 0 340.426 2.458 20 5 EEBDRO C[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC[NH2+]1 ZINC000237544037 464337893 /nfs/dbraw/zinc/33/78/93/464337893.db2.gz JIRIRVIZAPHDNB-SFHVURJKSA-N 1 0 347.415 2.497 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237826100 464385307 /nfs/dbraw/zinc/38/53/07/464385307.db2.gz OGWFAAGYWVBYNH-LBPRGKRZSA-N 1 0 341.795 2.357 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000188947900 464402002 /nfs/dbraw/zinc/40/20/02/464402002.db2.gz QFONRCIFOJMCOU-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188953026 464403780 /nfs/dbraw/zinc/40/37/80/464403780.db2.gz XKZNCYCLMUGKDB-UHFFFAOYSA-N 1 0 332.404 2.419 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264658089 464411319 /nfs/dbraw/zinc/41/13/19/464411319.db2.gz YCCKQIHHOIVWIM-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000180954727 464427127 /nfs/dbraw/zinc/42/71/27/464427127.db2.gz PTIPNQUUSXPOHK-OAHLLOKOSA-N 1 0 346.362 2.349 20 5 EEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC12CC3CC(CC(C3)C1)C2 ZINC000174724289 464441580 /nfs/dbraw/zinc/44/15/80/464441580.db2.gz CBSSNDYYWPRQAZ-UFPBRMSXSA-N 1 0 348.447 2.300 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186459 464452292 /nfs/dbraw/zinc/45/22/92/464452292.db2.gz PUPHCVRGPZMTID-GWCFXTLKSA-N 1 0 333.388 2.267 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294278580 464453867 /nfs/dbraw/zinc/45/38/67/464453867.db2.gz AVTPUHCJIRIWMT-CQSZACIVSA-N 1 0 347.415 2.406 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272258102 464539491 /nfs/dbraw/zinc/53/94/91/464539491.db2.gz AIFDWGUXKYNZSR-YVEFUNNKSA-N 1 0 344.415 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000281694537 464550628 /nfs/dbraw/zinc/55/06/28/464550628.db2.gz NGSQFCLTCUUXFI-SFHVURJKSA-N 1 0 328.368 2.397 20 5 EEBDRO Cc1cc(NC(=O)[C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000285401309 464551057 /nfs/dbraw/zinc/55/10/57/464551057.db2.gz UARAMBWXIQUTPN-GFCCVEGCSA-N 1 0 332.360 2.393 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272364119 464578173 /nfs/dbraw/zinc/57/81/73/464578173.db2.gz ZPLQMKVCCPQJBH-GHMZBOCLSA-N 1 0 341.795 2.213 20 5 EEBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000182137643 464580465 /nfs/dbraw/zinc/58/04/65/464580465.db2.gz NEQSQTHSKYNCDX-GFCCVEGCSA-N 1 0 327.812 2.401 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013675 464586633 /nfs/dbraw/zinc/58/66/33/464586633.db2.gz ORFOBWPFFFMVPS-WBVHZDCISA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000182268919 464616156 /nfs/dbraw/zinc/61/61/56/464616156.db2.gz HHRRSHONGVOLDF-INIZCTEOSA-N 1 0 343.383 2.394 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408595 464646958 /nfs/dbraw/zinc/64/69/58/464646958.db2.gz XVUGTLPWFCMIJE-SWLSCSKDSA-N 1 0 332.356 2.391 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276307 464771965 /nfs/dbraw/zinc/77/19/65/464771965.db2.gz AZKPXSRDRNLLBU-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000176608197 464810409 /nfs/dbraw/zinc/81/04/09/464810409.db2.gz IIGSBEUQCOLOLF-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000286148092 464819644 /nfs/dbraw/zinc/81/96/44/464819644.db2.gz AICHVUOERHCPEI-GFCCVEGCSA-N 1 0 334.376 2.205 20 5 EEBDRO Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000348185524 465479863 /nfs/dbraw/zinc/47/98/63/465479863.db2.gz ZHTQGPDRRWJAAI-SFHVURJKSA-N 1 0 342.399 2.347 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176889494 464877512 /nfs/dbraw/zinc/87/75/12/464877512.db2.gz COHFLBHKUHYNMA-NSHDSACASA-N 1 0 343.811 2.335 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183614987 464886649 /nfs/dbraw/zinc/88/66/49/464886649.db2.gz GDWPYPALBJRVJE-UHFFFAOYSA-N 1 0 329.360 2.373 20 5 EEBDRO CC[NH+](CC)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184071469 464944067 /nfs/dbraw/zinc/94/40/67/464944067.db2.gz YRMURQJDOLPFHT-UHFFFAOYSA-N 1 0 328.800 2.389 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177304980 464981417 /nfs/dbraw/zinc/98/14/17/464981417.db2.gz BDOXUCZWSUEMSZ-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268273955 465001863 /nfs/dbraw/zinc/00/18/63/465001863.db2.gz UQWFVEXISRTWSU-ZDUSSCGKSA-N 1 0 334.420 2.344 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])CC1 ZINC000342601710 465332378 /nfs/dbraw/zinc/33/23/78/465332378.db2.gz XMMDIGBOFNBVIA-UHFFFAOYSA-N 1 0 346.431 2.442 20 5 EEBDRO CC[C@@H]1C[C@]1([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387436 465340328 /nfs/dbraw/zinc/34/03/28/465340328.db2.gz GAUNSEZOWQTWFB-ZTFGCOKTSA-N 1 0 344.415 2.376 20 5 EEBDRO CC[C@@H]1C[C@]1([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387433 465340438 /nfs/dbraw/zinc/34/04/38/465340438.db2.gz GAUNSEZOWQTWFB-FHLIZLRMSA-N 1 0 344.415 2.376 20 5 EEBDRO C[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593914869 468431857 /nfs/dbraw/zinc/43/18/57/468431857.db2.gz GQWYVBFJDUWSJI-UONOGXRCSA-N 1 0 334.420 2.007 20 5 EEBDRO COC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1C ZINC000348349365 465562676 /nfs/dbraw/zinc/56/26/76/465562676.db2.gz KIGFOGGECGIQCA-UHFFFAOYSA-N 1 0 331.372 2.394 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000299207061 465648298 /nfs/dbraw/zinc/64/82/98/465648298.db2.gz CVHKBLCFJMBZEA-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299226741 465656102 /nfs/dbraw/zinc/65/61/02/465656102.db2.gz QGGPIQIBKSGLFN-KGLIPLIRSA-N 1 0 333.388 2.107 20 5 EEBDRO [NH3+]CC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000569121680 468444899 /nfs/dbraw/zinc/44/48/99/468444899.db2.gz NRYXIAKYPYIJQN-UHFFFAOYSA-N 1 0 346.431 2.199 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330567879 465710000 /nfs/dbraw/zinc/71/00/00/465710000.db2.gz BOULEDDORWNNJZ-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000344612838 465722315 /nfs/dbraw/zinc/72/23/15/465722315.db2.gz JRXSZFFVXQAKAV-CQSZACIVSA-N 1 0 349.387 2.174 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371364695 465745195 /nfs/dbraw/zinc/74/51/95/465745195.db2.gz PDBPPTLKICRIRY-ZIAGYGMSSA-N 1 0 342.399 2.362 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000330678297 465758594 /nfs/dbraw/zinc/75/85/94/465758594.db2.gz JXGFTWAJLNHHLU-UONOGXRCSA-N 1 0 335.404 2.223 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000362516366 465799671 /nfs/dbraw/zinc/79/96/71/465799671.db2.gz OXVMQLYEMGJILA-JPQUEUOBSA-N 1 0 336.388 2.018 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371546033 465868470 /nfs/dbraw/zinc/86/84/70/465868470.db2.gz XVVMEPQSFQRXMV-TZMCWYRMSA-N 1 0 339.342 2.430 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591358810 468457970 /nfs/dbraw/zinc/45/79/70/468457970.db2.gz HXNYYOKNJAFHNB-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO CCOc1cc(NC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000362735159 465985479 /nfs/dbraw/zinc/98/54/79/465985479.db2.gz ILWWGAVSVQFFPZ-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301898685 466058009 /nfs/dbraw/zinc/05/80/09/466058009.db2.gz SKHHDPVLAIZKSD-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000331432685 466081580 /nfs/dbraw/zinc/08/15/80/466081580.db2.gz JSFLUJRCIAKVBY-LSDHHAIUSA-N 1 0 347.415 2.227 20 5 EEBDRO CCC[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346802111 466164118 /nfs/dbraw/zinc/16/41/18/466164118.db2.gz TVWTUUDCDYFHAL-OAHLLOKOSA-N 1 0 343.387 2.246 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354373968 466517741 /nfs/dbraw/zinc/51/77/41/466517741.db2.gz WOMNRDORAOUHNR-GFCCVEGCSA-N 1 0 338.383 2.310 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347315482 466558661 /nfs/dbraw/zinc/55/86/61/466558661.db2.gz PXKQGIHNDLHGPH-YOEHRIQHSA-N 1 0 346.431 2.400 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358265105 466580282 /nfs/dbraw/zinc/58/02/82/466580282.db2.gz JCFALFVJFLCKGE-BZUAXINKSA-N 1 0 331.416 2.420 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423256357 466704663 /nfs/dbraw/zinc/70/46/63/466704663.db2.gz BPXIPQAHZNYPBV-YOEHRIQHSA-N 1 0 343.431 2.397 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000423496382 466757784 /nfs/dbraw/zinc/75/77/84/466757784.db2.gz WSSQXJWXLYSANR-UHFFFAOYSA-N 1 0 335.404 2.374 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423986118 466937656 /nfs/dbraw/zinc/93/76/56/466937656.db2.gz VRNSVUHTWVINGL-KRWDZBQOSA-N 1 0 343.383 2.352 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424031313 466957624 /nfs/dbraw/zinc/95/76/24/466957624.db2.gz HESMTRGDEGSXHD-QGZVFWFLSA-N 1 0 331.416 2.374 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412087111 467002985 /nfs/dbraw/zinc/00/29/85/467002985.db2.gz OXFNCHLELNBLLI-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000374147188 467012825 /nfs/dbraw/zinc/01/28/25/467012825.db2.gz HOFZOBLFAAHKDE-KEYYUXOJSA-N 1 0 334.420 2.461 20 5 EEBDRO CC[C@@]1(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000370844754 467025126 /nfs/dbraw/zinc/02/51/26/467025126.db2.gz DWAQRIKNKGJUHE-QGZVFWFLSA-N 1 0 334.420 2.211 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCC[NH2+]1 ZINC000418087896 467041468 /nfs/dbraw/zinc/04/14/68/467041468.db2.gz IOTPMCMGLAFHQE-NSHDSACASA-N 1 0 346.309 2.165 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418308806 467091288 /nfs/dbraw/zinc/09/12/88/467091288.db2.gz NDLNNARFDVZLLL-AWEZNQCLSA-N 1 0 332.404 2.236 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418337065 467094748 /nfs/dbraw/zinc/09/47/48/467094748.db2.gz JCCGOPZMKCBQLP-GOEBONIOSA-N 1 0 346.431 2.483 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418375649 467101148 /nfs/dbraw/zinc/10/11/48/467101148.db2.gz FCQWPKRHKAIDJH-CABCVRRESA-N 1 0 332.404 2.236 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418375651 467101469 /nfs/dbraw/zinc/10/14/69/467101469.db2.gz FCQWPKRHKAIDJH-HUUCEWRRSA-N 1 0 332.404 2.236 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418406444 467105948 /nfs/dbraw/zinc/10/59/48/467105948.db2.gz DYUMLDTTXDCGPM-CABCVRRESA-N 1 0 334.420 2.296 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000413028550 467157577 /nfs/dbraw/zinc/15/75/77/467157577.db2.gz PPALEJPCBCIFTG-UHFFFAOYSA-N 1 0 341.383 2.133 20 5 EEBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000413319285 467215479 /nfs/dbraw/zinc/21/54/79/467215479.db2.gz OLHXPIAUOBFEAK-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO CC1(C)C[C@H](O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451816474 467268978 /nfs/dbraw/zinc/26/89/78/467268978.db2.gz XGFLHDGIXWFXCL-HZPDHXFCSA-N 1 0 347.415 2.183 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000429076924 467298679 /nfs/dbraw/zinc/29/86/79/467298679.db2.gz FTGXOVAWRIEFPE-UKRRQHHQSA-N 1 0 346.431 2.313 20 5 EEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000420204121 467320744 /nfs/dbraw/zinc/32/07/44/467320744.db2.gz OLWZQINEMIUTRB-CYBMUJFWSA-N 1 0 330.388 2.836 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420248764 467330006 /nfs/dbraw/zinc/33/00/06/467330006.db2.gz WYCXSUAFZOBHNY-JTQLQIEISA-N 1 0 347.462 2.250 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420253284 467331007 /nfs/dbraw/zinc/33/10/07/467331007.db2.gz PKTHJXCTRNBNKB-INIZCTEOSA-N 1 0 329.360 2.225 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420276263 467335676 /nfs/dbraw/zinc/33/56/76/467335676.db2.gz LOEHMYFLWRDNIO-ZDUSSCGKSA-N 1 0 344.371 2.451 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284475 467338426 /nfs/dbraw/zinc/33/84/26/467338426.db2.gz OWROEHMMRUSVOZ-GDBMZVCRSA-N 1 0 348.447 2.356 20 5 EEBDRO C[NH+](C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420588364 467429731 /nfs/dbraw/zinc/42/97/31/467429731.db2.gz PZSOXTFKEKIIKZ-AWEZNQCLSA-N 1 0 342.399 2.279 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000453047019 467457523 /nfs/dbraw/zinc/45/75/23/467457523.db2.gz YXKCIWDRQHJJDH-RVKKMQEKSA-N 1 0 332.400 2.455 20 5 EEBDRO COc1ccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000415035667 467471572 /nfs/dbraw/zinc/47/15/72/467471572.db2.gz FBACZEHIHYZIQV-JKSUJKDBSA-N 1 0 327.384 2.449 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448601598 467595319 /nfs/dbraw/zinc/59/53/19/467595319.db2.gz VQNLEZGRPHPRLY-CQSZACIVSA-N 1 0 343.387 2.199 20 5 EEBDRO COc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000448977327 467609817 /nfs/dbraw/zinc/60/98/17/467609817.db2.gz YBAUSTZVZNFEJV-UHFFFAOYSA-N 1 0 339.367 2.156 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000449201069 467623185 /nfs/dbraw/zinc/62/31/85/467623185.db2.gz HXHYLWQMAHPCGR-STQMWFEESA-N 1 0 333.388 2.065 20 5 EEBDRO CNc1nc(C(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000455044271 467631529 /nfs/dbraw/zinc/63/15/29/467631529.db2.gz IHCZUCUOKDRYNL-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449650857 467677278 /nfs/dbraw/zinc/67/72/78/467677278.db2.gz UYXSLHCTZKCCLZ-PWSUYJOCSA-N 1 0 325.796 2.424 20 5 EEBDRO CCOc1cc(C[N@H+](C)C2(CCO)CCOCC2)ccc1[N+](=O)[O-] ZINC000492776097 467748660 /nfs/dbraw/zinc/74/86/60/467748660.db2.gz UGBOGZHTOAOTTL-UHFFFAOYSA-N 1 0 338.404 2.357 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000458223648 467792444 /nfs/dbraw/zinc/79/24/44/467792444.db2.gz RKADJGJVNIWUOL-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+][C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC000457372524 467810175 /nfs/dbraw/zinc/81/01/75/467810175.db2.gz IXCNRNKZTZZBID-KBPBESRZSA-N 1 0 332.335 2.019 20 5 EEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143986 467998646 /nfs/dbraw/zinc/99/86/46/467998646.db2.gz YVPVSJIOQHAPTM-AAEUAGOBSA-N 1 0 347.375 2.256 20 5 EEBDRO COc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487227721 468029282 /nfs/dbraw/zinc/02/92/82/468029282.db2.gz TWOCADJYROHMRY-CQSZACIVSA-N 1 0 336.392 2.407 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494203207 468036624 /nfs/dbraw/zinc/03/66/24/468036624.db2.gz AVTRRVKEVRDRLD-ZBEGNZNMSA-N 1 0 337.376 2.089 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494230437 468038586 /nfs/dbraw/zinc/03/85/86/468038586.db2.gz KFSFMXGLIHTSGP-USBNGQNGSA-N 1 0 337.376 2.088 20 5 EEBDRO CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000487947026 468062479 /nfs/dbraw/zinc/06/24/79/468062479.db2.gz KUPPGKQCIIEVFP-MRXNPFEDSA-N 1 0 335.404 2.233 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518814392 468128339 /nfs/dbraw/zinc/12/83/39/468128339.db2.gz FGUIOPCCISNLCM-RYUDHWBXSA-N 1 0 349.387 2.174 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000567726087 468195331 /nfs/dbraw/zinc/19/53/31/468195331.db2.gz YOZUTKVJJSXQON-INIZCTEOSA-N 1 0 345.399 2.061 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594196773 468508272 /nfs/dbraw/zinc/50/82/72/468508272.db2.gz MLTAXERVIGMZAY-UONOGXRCSA-N 1 0 333.388 2.350 20 5 EEBDRO CCC1(O)CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591758213 468515218 /nfs/dbraw/zinc/51/52/18/468515218.db2.gz DJBYDNJMQFLRFW-GNHJJJEISA-N 1 0 338.404 2.008 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594234476 468523631 /nfs/dbraw/zinc/52/36/31/468523631.db2.gz XJHQUKMSTKJFIM-DOTOQJQBSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C(NCC12CCC[NH+]1CCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597587064 468608601 /nfs/dbraw/zinc/60/86/01/468608601.db2.gz OMNKFTTZSGWOMM-UHFFFAOYSA-N 1 0 328.372 2.434 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000594502658 468610725 /nfs/dbraw/zinc/61/07/25/468610725.db2.gz MOCBIXHGWZHIIR-GOSISDBHSA-N 1 0 349.431 2.207 20 5 EEBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594520664 468615150 /nfs/dbraw/zinc/61/51/50/468615150.db2.gz KHPJJHCDMCEUHC-IUODEOHRSA-N 1 0 327.388 2.248 20 5 EEBDRO [NH3+]C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600729079 468638402 /nfs/dbraw/zinc/63/84/02/468638402.db2.gz WORKWQHANTYVFS-VXGBXAGGSA-N 1 0 347.337 2.433 20 5 EEBDRO [NH3+][C@H]1CCCCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000600958521 468697692 /nfs/dbraw/zinc/69/76/92/468697692.db2.gz HGITZZHPWONPNI-JTQLQIEISA-N 1 0 329.198 2.460 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594992942 468740160 /nfs/dbraw/zinc/74/01/60/468740160.db2.gz LZCAKLRCLRTHTD-MAVJXHJTSA-N 1 0 331.416 2.451 20 5 EEBDRO C[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583849040 468763720 /nfs/dbraw/zinc/76/37/20/468763720.db2.gz CXFUNVNJJDGSIV-ZNMIVQPWSA-N 1 0 349.431 2.314 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598261089 468809720 /nfs/dbraw/zinc/80/97/20/468809720.db2.gz DTCGCZZAMHHVHK-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474541 468867573 /nfs/dbraw/zinc/86/75/73/468867573.db2.gz WMHBRZPOLGJZKI-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[NH+]1CCCCC1 ZINC000593112221 468875259 /nfs/dbraw/zinc/87/52/59/468875259.db2.gz NHGLOROVSGBFHP-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598558808 468912304 /nfs/dbraw/zinc/91/23/04/468912304.db2.gz DLZOTYOCWQUGET-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000598619090 468935961 /nfs/dbraw/zinc/93/59/61/468935961.db2.gz ABFMCMBZJGDUFM-LBPRGKRZSA-N 1 0 334.376 2.205 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598675990 468955139 /nfs/dbraw/zinc/95/51/39/468955139.db2.gz CBIMVFPHHSHXFC-CJNGLKHVSA-N 1 0 344.415 2.446 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000601705297 468976251 /nfs/dbraw/zinc/97/62/51/468976251.db2.gz LCRVDLPQUDWMAD-ZFWWWQNUSA-N 1 0 342.399 2.421 20 5 EEBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(C)C ZINC000602689467 469013381 /nfs/dbraw/zinc/01/33/81/469013381.db2.gz HVJUEKBHDUYNJA-DOTOQJQBSA-N 1 0 336.436 2.344 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000598913504 469047314 /nfs/dbraw/zinc/04/73/14/469047314.db2.gz JRNQAVUSBSHNFN-NSHDSACASA-N 1 0 327.344 2.450 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000598912834 469047354 /nfs/dbraw/zinc/04/73/54/469047354.db2.gz BGTVJDFIWHTWTI-LLVKDONJSA-N 1 0 327.344 2.450 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(Cc3ccccc3)CCC2)c1 ZINC000573110752 469064677 /nfs/dbraw/zinc/06/46/77/469064677.db2.gz FHIPGUCMBATJBV-QGZVFWFLSA-N 1 0 344.415 2.155 20 5 EEBDRO C[C@H](CO)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593677272 469091092 /nfs/dbraw/zinc/09/10/92/469091092.db2.gz WOJULVYUBMUHFN-GFCCVEGCSA-N 1 0 336.388 2.206 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000587972309 469097274 /nfs/dbraw/zinc/09/72/74/469097274.db2.gz KRAYUFZTIWVEKQ-NSHDSACASA-N 1 0 334.376 2.205 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602843320 469113047 /nfs/dbraw/zinc/11/30/47/469113047.db2.gz GMZBAJMYEDHGQP-OAHLLOKOSA-N 1 0 343.431 2.306 20 5 EEBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000599098407 469118868 /nfs/dbraw/zinc/11/88/68/469118868.db2.gz TWPCETJEKBOBEU-UHFFFAOYSA-N 1 0 329.422 2.188 20 5 EEBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000596065832 469135666 /nfs/dbraw/zinc/13/56/66/469135666.db2.gz VHMAMJRFEXIZCD-NVXWUHKLSA-N 1 0 338.404 2.129 20 5 EEBDRO CSC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602922291 469166963 /nfs/dbraw/zinc/16/69/63/469166963.db2.gz GPFRKLSADYUQAP-LBPRGKRZSA-N 1 0 326.418 2.162 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCCC(F)(F)[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000563139207 469181711 /nfs/dbraw/zinc/18/17/11/469181711.db2.gz WTIIFEDTYNLWNV-SMDDNHRTSA-N 1 0 343.330 2.062 20 5 EEBDRO C[N@H+](CCc1ccccc1)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602111852 469195336 /nfs/dbraw/zinc/19/53/36/469195336.db2.gz UWBQYNYKYTXMPY-UHFFFAOYSA-N 1 0 341.411 2.428 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000611263541 469213366 /nfs/dbraw/zinc/21/33/66/469213366.db2.gz TXYKKPXDEKOJLF-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])s1 ZINC000596239882 469218379 /nfs/dbraw/zinc/21/83/79/469218379.db2.gz MZEAESMJRQYOJT-UHFFFAOYSA-N 1 0 340.449 2.369 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083926 469254988 /nfs/dbraw/zinc/25/49/88/469254988.db2.gz PBXHCMDGVVCAOG-UHFFFAOYSA-N 1 0 332.385 2.404 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599630520 469316411 /nfs/dbraw/zinc/31/64/11/469316411.db2.gz PCJYXQKGKUQHHE-PBHICJAKSA-N 1 0 345.355 2.324 20 5 EEBDRO O=[N+]([O-])c1sc(C[NH2+]CCn2cccn2)cc1Br ZINC000602517757 469346735 /nfs/dbraw/zinc/34/67/35/469346735.db2.gz GMRFZJQDBIZTEQ-UHFFFAOYSA-N 1 0 331.195 2.405 20 5 EEBDRO CC(C)(CO)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561348 469361471 /nfs/dbraw/zinc/36/14/71/469361471.db2.gz YNAAMSXDMPYFAB-UHFFFAOYSA-N 1 0 336.436 2.347 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2[N+](=O)[O-])CC1 ZINC000602605841 469382304 /nfs/dbraw/zinc/38/23/04/469382304.db2.gz STPCALYCENYQKH-GJZGRUSLSA-N 1 0 344.415 2.017 20 5 EEBDRO COC(=O)c1cc(NC(=O)N(C)Cc2c[nH]cn2)c(C)c([N+](=O)[O-])c1 ZINC000596871717 469391142 /nfs/dbraw/zinc/39/11/42/469391142.db2.gz NCTIAIXNSXUMLE-UHFFFAOYSA-N 1 0 347.331 2.077 20 5 EEBDRO COC(=O)C1CC[NH+](CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000604433499 469478987 /nfs/dbraw/zinc/47/89/87/469478987.db2.gz PCYHJADUUKUMCR-UHFFFAOYSA-N 1 0 327.406 2.343 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153271590 534889346 /nfs/dbraw/zinc/88/93/46/534889346.db2.gz ZTYNVTQHNYRPBC-UHFFFAOYSA-N 1 0 331.332 2.364 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451717719 534909805 /nfs/dbraw/zinc/90/98/05/534909805.db2.gz CKAXWZDBRVQRKC-NSHDSACASA-N 1 0 339.367 2.347 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000174538560 527807110 /nfs/dbraw/zinc/80/71/10/527807110.db2.gz KUEUWZDVJUPPQE-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO CC1CC[NH+](C2CCC(NC(=O)c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC000129580577 528228955 /nfs/dbraw/zinc/22/89/55/528228955.db2.gz MDUHTVJCHFBJCW-UHFFFAOYSA-N 1 0 349.435 2.101 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000178583926 528263616 /nfs/dbraw/zinc/26/36/16/528263616.db2.gz OOJUAEBOGMWJQD-CQSZACIVSA-N 1 0 346.431 2.252 20 5 EEBDRO CCOC(=O)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153732449 528683675 /nfs/dbraw/zinc/68/36/75/528683675.db2.gz FNKIFNJOKXPDQE-MRXNPFEDSA-N 1 0 336.388 2.293 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179496320 528892207 /nfs/dbraw/zinc/89/22/07/528892207.db2.gz OERAQEWADZRDDX-UHFFFAOYSA-N 1 0 332.404 2.417 20 5 EEBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191853506 528969823 /nfs/dbraw/zinc/96/98/23/528969823.db2.gz WDVMINXWQZMRDV-AWEZNQCLSA-N 1 0 335.360 2.430 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000423646160 535425964 /nfs/dbraw/zinc/42/59/64/535425964.db2.gz TVTQGBXYSOXKBD-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000456900704 535672737 /nfs/dbraw/zinc/67/27/37/535672737.db2.gz OIXCJRRWRNTELN-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO CCc1nn(C)cc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578664 535829672 /nfs/dbraw/zinc/82/96/72/535829672.db2.gz GIYQSQWXHLORFX-LSDHHAIUSA-N 1 0 332.408 2.361 20 5 EEBDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000446668674 536012843 /nfs/dbraw/zinc/01/28/43/536012843.db2.gz VOWODUVGDXICOO-UHFFFAOYSA-N 1 0 342.355 2.234 20 5 EEBDRO CO[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000451558277 536692921 /nfs/dbraw/zinc/69/29/21/536692921.db2.gz FSWVELHISVDECK-UHOFOFEASA-N 1 0 333.388 2.057 20 5 EEBDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000459767794 536921152 /nfs/dbraw/zinc/92/11/52/536921152.db2.gz YCAROQLITCIBRP-HNNXBMFYSA-N 1 0 346.383 2.478 20 5 EEBDRO CCCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773006984 577310043 /nfs/dbraw/zinc/31/00/43/577310043.db2.gz DKWFBRFSMCVFEN-CYBMUJFWSA-N 1 0 343.449 2.432 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582205 577463245 /nfs/dbraw/zinc/46/32/45/577463245.db2.gz MDCGIDFCQOIQPZ-SJORKVTESA-N 1 0 347.415 2.105 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000776582525 577463252 /nfs/dbraw/zinc/46/32/52/577463252.db2.gz RPVGHJDJWZEKHZ-JHJVBQTASA-N 1 0 334.294 2.016 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735371 577485604 /nfs/dbraw/zinc/48/56/04/577485604.db2.gz JGCJEHLSMPLUDY-ZWKOTPCHSA-N 1 0 346.358 2.361 20 5 EEBDRO COc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001061 577655757 /nfs/dbraw/zinc/65/57/57/577655757.db2.gz YFHBIYGZZCZLGN-GOEBONIOSA-N 1 0 344.367 2.230 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752813958 577776596 /nfs/dbraw/zinc/77/65/96/577776596.db2.gz VWBKEXNGIABNEK-UONOGXRCSA-N 1 0 348.403 2.030 20 5 EEBDRO COc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1OC ZINC000749673398 577979665 /nfs/dbraw/zinc/97/96/65/577979665.db2.gz FSTSJRMVRWEGMN-HNNXBMFYSA-N 1 0 332.356 2.435 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CCCCO)CC1 ZINC000750055483 577986334 /nfs/dbraw/zinc/98/63/34/577986334.db2.gz WYKBAXUAYHFUIM-UHFFFAOYSA-N 1 0 327.812 2.138 20 5 EEBDRO CN(CCC1CCOCC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000121118365 676073400 /nfs/dbraw/zinc/07/34/00/676073400.db2.gz XONFBZCIPMDPJV-UHFFFAOYSA-N 1 0 347.213 2.260 20 5 EEBDRO O=C(Cc1cscn1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020687758 675407296 /nfs/dbraw/zinc/40/72/96/675407296.db2.gz WYHBKRJVKASKEF-JOCQHMNTSA-N 1 0 346.412 2.031 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)ccn1 ZINC001020783387 675492739 /nfs/dbraw/zinc/49/27/39/675492739.db2.gz IGQDLLLRUOCSQT-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000933248264 676527340 /nfs/dbraw/zinc/52/73/40/676527340.db2.gz LLUOZNPEBXYRCC-QGZVFWFLSA-N 1 0 348.447 2.220 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001021890118 676538196 /nfs/dbraw/zinc/53/81/96/676538196.db2.gz PYBSJTGOQSRVLK-OKILXGFUSA-N 1 0 349.435 2.036 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001022152195 676706076 /nfs/dbraw/zinc/70/60/76/676706076.db2.gz TXZWWSUCUYVDPW-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC000891755082 676818004 /nfs/dbraw/zinc/81/80/04/676818004.db2.gz TZGGSFZHFKOZFW-LBPRGKRZSA-N 1 0 346.387 2.422 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000891907695 676899079 /nfs/dbraw/zinc/89/90/79/676899079.db2.gz SRWGVXOKUCJJND-CYBMUJFWSA-N 1 0 342.399 2.496 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001022447160 677712960 /nfs/dbraw/zinc/71/29/60/677712960.db2.gz DQYPLQQMBUKOPU-BETUJISGSA-N 1 0 332.335 2.113 20 5 EEBDRO C[C@H]1CCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041494 677766423 /nfs/dbraw/zinc/76/64/23/677766423.db2.gz BNUJMNDXSBQHMH-ZDUSSCGKSA-N 1 0 347.419 2.363 20 5 EEBDRO C[C@@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934042667 677767087 /nfs/dbraw/zinc/76/70/87/677767087.db2.gz GXBJEPJKNDUDPH-CYBMUJFWSA-N 1 0 347.419 2.220 20 5 EEBDRO CSCC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000934668009 678674052 /nfs/dbraw/zinc/67/40/52/678674052.db2.gz QUIXCKBKNBHTPY-UHFFFAOYSA-N 1 0 332.447 2.100 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892536311 681626237 /nfs/dbraw/zinc/62/62/37/681626237.db2.gz DAKWBHCTZWDDQJ-QGZVFWFLSA-N 1 0 332.404 2.188 20 5 EEBDRO CN(C)C(=O)c1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000894453653 682900534 /nfs/dbraw/zinc/90/05/34/682900534.db2.gz JFOLJPHQGGJRIR-UHFFFAOYSA-N 1 0 342.399 2.262 20 5 EEBDRO C[C@@H]1C[N@H+](CCCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000893387955 685200216 /nfs/dbraw/zinc/20/02/16/685200216.db2.gz DKCPMMLSITYXJF-LLVKDONJSA-N 1 0 326.324 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccco3)CC2)cc1 ZINC000125264998 686940870 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2.054 20 5 EEBDRO Cc1cc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814849173 1199765083 /nfs/dbraw/zinc/76/50/83/1199765083.db2.gz KTIQKQWCLTWOQC-UHFFFAOYSA-N 1 0 333.310 2.212 20 5 EEBDRO O=C(Cc1cc(F)ccc1F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133034036 1200358925 /nfs/dbraw/zinc/35/89/25/1200358925.db2.gz YPACZPFOJPTJSP-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000878697258 1200625209 /nfs/dbraw/zinc/62/52/09/1200625209.db2.gz COYUJVPKMHMLTM-MRXNPFEDSA-N 1 0 338.408 2.153 20 5 EEBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)[C@H](O)c1cccc(O)c1 ZINC001170674754 1200634340 /nfs/dbraw/zinc/63/43/40/1200634340.db2.gz CONOSIYGYNDEFQ-BTDLBPIBSA-N 1 0 329.356 2.438 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961166 1201324281 /nfs/dbraw/zinc/32/42/81/1201324281.db2.gz ADMMIHCPMKINQW-QWHCGFSZSA-N 1 0 335.404 2.405 20 5 EEBDRO COC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040784 1201360272 /nfs/dbraw/zinc/36/02/72/1201360272.db2.gz KBXYEJGLMRAMHV-BBRMVZONSA-N 1 0 336.388 2.293 20 5 EEBDRO CN1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866213846 1201467865 /nfs/dbraw/zinc/46/78/65/1201467865.db2.gz AELDPTFRNNIBFI-UHFFFAOYSA-N 1 0 340.374 2.089 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866777016 1201603855 /nfs/dbraw/zinc/60/38/55/1201603855.db2.gz NQSDSAJANHJYHN-ZFWWWQNUSA-N 1 0 335.379 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000131337181 1202036975 /nfs/dbraw/zinc/03/69/75/1202036975.db2.gz CKNNTJCSWMBVGO-AWEZNQCLSA-N 1 0 329.404 2.320 20 5 EEBDRO CC(C)N(CCCOc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000137080479 1202471892 /nfs/dbraw/zinc/47/18/92/1202471892.db2.gz LUKNDLDOABMCAS-UHFFFAOYSA-N 1 0 344.433 2.119 20 5 EEBDRO C[NH+](C)CCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095441858 1205758431 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343.383 2.470 20 5 EEBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495340 1207616574 /nfs/dbraw/zinc/61/65/74/1207616574.db2.gz ZZLDLACEENTGEN-VYUIOLGVSA-N 1 0 327.768 2.200 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795701390 1214983475 /nfs/dbraw/zinc/98/34/75/1214983475.db2.gz COUJYWDVRWXNBH-BBRMVZONSA-N 1 0 329.404 2.461 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114809042 1215471779 /nfs/dbraw/zinc/47/17/79/1215471779.db2.gz IGNGWYRQJJLFTD-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001020011561 1229440005 /nfs/dbraw/zinc/44/00/05/1229440005.db2.gz ZUENTQCCLDRAKL-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1nscc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020090155 1229479196 /nfs/dbraw/zinc/47/91/96/1229479196.db2.gz ANDYVMRLFIBCNL-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096037263 1233866589 /nfs/dbraw/zinc/86/65/89/1233866589.db2.gz WTRMWJOLAKHKQS-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO Cc1cc(Cl)c(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000827105176 1249940945 /nfs/dbraw/zinc/94/09/45/1249940945.db2.gz HOUYKOTVYSHINE-YGRLFVJLSA-N 1 0 341.795 2.006 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097231103 1243857392 /nfs/dbraw/zinc/85/73/92/1243857392.db2.gz ODESLOUTBWHLRQ-BETUJISGSA-N 1 0 334.420 2.384 20 5 EEBDRO CCCN(CCNC(=O)C[NH+]1CCCC1)c1cc(C)ccc1[N+](=O)[O-] ZINC001101147236 1245450164 /nfs/dbraw/zinc/45/01/64/1245450164.db2.gz OUVAXDXZOMDNAX-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CCCN(CCNC(=O)C[NH+](CC)CC)c1ccccc1[N+](=O)[O-] ZINC001101152026 1245455005 /nfs/dbraw/zinc/45/50/05/1245455005.db2.gz LMNJYAXNHLJSCH-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000827411321 1248007482 /nfs/dbraw/zinc/00/74/82/1248007482.db2.gz QZZYRUZUEFRSRR-OAHLLOKOSA-N 1 0 347.415 2.375 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001100751197 1259213457 /nfs/dbraw/zinc/21/34/57/1259213457.db2.gz NIKUCTMPQGCUDM-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626972 1278154521 /nfs/dbraw/zinc/15/45/21/1278154521.db2.gz PQZRCKMKJIBZAQ-NCAQKEMTSA-N 1 0 329.356 2.322 20 5 EEBDRO Cc1sccc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134841472 1278044541 /nfs/dbraw/zinc/04/45/41/1278044541.db2.gz JRUBIVTVLXNOSC-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000102653026 1284278170 /nfs/dbraw/zinc/27/81/70/1284278170.db2.gz KTGDFUPURJLFGW-LLVKDONJSA-N 1 0 332.360 2.176 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104823532 1285486911 /nfs/dbraw/zinc/48/69/11/1285486911.db2.gz XQIHKLQVKMCDMM-UHFFFAOYSA-N 1 0 334.420 2.481 20 5 EEBDRO CCCSc1nc(O[C@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218005975 1297545471 /nfs/dbraw/zinc/54/54/71/1297545471.db2.gz NCEWTRAGZLWVRH-SECBINFHSA-N 1 0 342.421 2.359 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000852635623 1292150840 /nfs/dbraw/zinc/15/08/40/1292150840.db2.gz HRAZBNVCIXSNFX-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855810629 1293335357 /nfs/dbraw/zinc/33/53/57/1293335357.db2.gz CWVWLPVRXZGTGX-RHSMWYFYSA-N 1 0 347.415 2.151 20 5 EEBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000856476360 1293539859 /nfs/dbraw/zinc/53/98/59/1293539859.db2.gz WGPVGUKXDWYOIR-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO CC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C3)CC1 ZINC001072763189 1296117106 /nfs/dbraw/zinc/11/71/06/1296117106.db2.gz QBEMFAHIXXYLJL-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001217966076 1297539192 /nfs/dbraw/zinc/53/91/92/1297539192.db2.gz XAZSYFUBDUJDKI-HQJQHLMTSA-N 1 0 348.140 2.186 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001226711903 1301520282 /nfs/dbraw/zinc/52/02/82/1301520282.db2.gz IDFFGNZDEBXNHL-MRXNPFEDSA-N 1 0 329.356 2.270 20 5 EEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001228468252 1302276275 /nfs/dbraw/zinc/27/62/75/1302276275.db2.gz LTXPAIIKLBBENJ-AWEZNQCLSA-N 1 0 349.435 2.099 20 5 EEBDRO CCOC(=O)c1cc2ccc(O[C@H](C)C[N+](C)(C)C)cc2oc1=O ZINC001228820823 1302466843 /nfs/dbraw/zinc/46/68/43/1302466843.db2.gz IVYHOSFOLXPWOV-GFCCVEGCSA-N 1 0 334.392 2.443 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(C)cc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001228839919 1302474648 /nfs/dbraw/zinc/47/46/48/1302474648.db2.gz ZQEKUTKEQPCQAK-SJWGOKEGSA-N 1 0 334.372 2.449 20 5 EEBDRO Cc1cc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC001103455432 1302985042 /nfs/dbraw/zinc/98/50/42/1302985042.db2.gz BTFMATCFWMBVFV-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523568 1304078640 /nfs/dbraw/zinc/07/86/40/1304078640.db2.gz ADRHONPSMWBTIB-VXGBXAGGSA-N 1 0 338.383 2.087 20 5 EEBDRO C[N@H+](CCCNC(=O)COC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001234415028 1304914997 /nfs/dbraw/zinc/91/49/97/1304914997.db2.gz RXQIHMSOWUXKHO-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO O=C(NCC1([NH2+]CC2CC(F)(F)C2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530709 1305286515 /nfs/dbraw/zinc/28/65/15/1305286515.db2.gz MYIKIOSHKMIXGB-CHWSQXEVSA-N 1 0 345.390 2.106 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001122081865 1310215993 /nfs/dbraw/zinc/21/59/93/1310215993.db2.gz COWICGXRFVQTHJ-SNVBAGLBSA-N 1 0 329.809 2.073 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc21 ZINC001160740497 1320254958 /nfs/dbraw/zinc/25/49/58/1320254958.db2.gz OMOYVTROUBTYAT-YUMQZZPRSA-N 1 0 329.282 2.423 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000840091733 1315291533 /nfs/dbraw/zinc/29/15/33/1315291533.db2.gz NSAAUUPFDBHQPF-MRXNPFEDSA-N 1 0 329.404 2.442 20 5 EEBDRO C[C@H]1CC(C)(C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000840185328 1315321566 /nfs/dbraw/zinc/32/15/66/1315321566.db2.gz YAXKCCLBQMWQFL-LBPRGKRZSA-N 1 0 346.387 2.441 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854561 1315624223 /nfs/dbraw/zinc/62/42/23/1315624223.db2.gz BUVLOMIQPWEJQE-NSHDSACASA-N 1 0 340.811 2.389 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CCCC[NH2+]1 ZINC000841855695 1315624233 /nfs/dbraw/zinc/62/42/33/1315624233.db2.gz LQHGJOJSFKJJPD-LLVKDONJSA-N 1 0 326.784 2.190 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000843069145 1315835142 /nfs/dbraw/zinc/83/51/42/1315835142.db2.gz NZVDFHCLVDUMAA-KSSFIOAISA-N 1 0 348.374 2.208 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843095202 1315840671 /nfs/dbraw/zinc/84/06/71/1315840671.db2.gz NUBMYGMLIIIUAF-AEFFLSMTSA-N 1 0 330.384 2.130 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843345743 1315894880 /nfs/dbraw/zinc/89/48/80/1315894880.db2.gz BRIJLAPGTJDJCV-WDEREUQCSA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843345760 1315895002 /nfs/dbraw/zinc/89/50/02/1315895002.db2.gz CJPLLJWQDMBSFL-YMTOWFKASA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843347099 1315895662 /nfs/dbraw/zinc/89/56/62/1315895662.db2.gz RHCYVCWOJQVIQA-MFKMUULPSA-N 1 0 340.811 2.388 20 5 EEBDRO Cc1ccccc1OCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149703670 1316020423 /nfs/dbraw/zinc/02/04/23/1316020423.db2.gz SXQLYPQOWIIAKZ-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO COCc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001150635999 1316323422 /nfs/dbraw/zinc/32/34/22/1316323422.db2.gz OUYXYOBOUKYOKP-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154848176 1317349423 /nfs/dbraw/zinc/34/94/23/1317349423.db2.gz SPRDRHKEFFQLBC-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO O=C(COC1CCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155055610 1317435678 /nfs/dbraw/zinc/43/56/78/1317435678.db2.gz SPXWOLUTPUAONY-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001155225513 1317509188 /nfs/dbraw/zinc/50/91/88/1317509188.db2.gz STWQDGYYKJQRNM-NSHDSACASA-N 1 0 344.799 2.186 20 5 EEBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001251862928 1317510932 /nfs/dbraw/zinc/51/09/32/1317510932.db2.gz YMEBCIDIVUYNSN-UHFFFAOYSA-N 1 0 326.316 2.075 20 5 EEBDRO Cc1cc(N[C@H]2COCCC23C[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001155462335 1317606611 /nfs/dbraw/zinc/60/66/11/1317606611.db2.gz QIFKSPUNANRPEZ-HNNXBMFYSA-N 1 0 328.372 2.242 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)nc2c1 ZINC001155477446 1317614579 /nfs/dbraw/zinc/61/45/79/1317614579.db2.gz MNKDEKBDGWNTSK-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001155562682 1317652895 /nfs/dbraw/zinc/65/28/95/1317652895.db2.gz VKBDADINAJWTOI-SNVBAGLBSA-N 1 0 334.357 2.094 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156523871 1318053271 /nfs/dbraw/zinc/05/32/71/1318053271.db2.gz WUKYRRZXBFEQDP-MRXNPFEDSA-N 1 0 328.372 2.477 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001254533160 1318111568 /nfs/dbraw/zinc/11/15/68/1318111568.db2.gz WNJVHJKLHPUOLZ-XJKSGUPXSA-N 1 0 341.411 2.372 20 5 EEBDRO Cc1ncc(CO)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC001254537675 1318113596 /nfs/dbraw/zinc/11/35/96/1318113596.db2.gz FYRRYMDTHCXZSZ-LLVKDONJSA-N 1 0 331.372 2.217 20 5 EEBDRO CCNC(=O)CO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560128 1318120701 /nfs/dbraw/zinc/12/07/01/1318120701.db2.gz PJDLTKWJUZTLIY-ZBFHGGJFSA-N 1 0 349.431 2.143 20 5 EEBDRO COC(=O)c1csc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254568403 1318124018 /nfs/dbraw/zinc/12/40/18/1318124018.db2.gz UHCABZWOMVJMFI-NSHDSACASA-N 1 0 333.369 2.095 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001254571244 1318126284 /nfs/dbraw/zinc/12/62/84/1318126284.db2.gz RDSXXRWBPPPPRS-RDJZCZTQSA-N 1 0 333.432 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3ncccn3)C1)C2 ZINC001254606587 1318142236 /nfs/dbraw/zinc/14/22/36/1318142236.db2.gz GRUNVOFYSKVLSS-HZPDHXFCSA-N 1 0 326.356 2.005 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1cnccn1)C1CC[NH2+]CC1)C2 ZINC001254606110 1318142972 /nfs/dbraw/zinc/14/29/72/1318142972.db2.gz DXMCRMVTHHVTLL-QGZVFWFLSA-N 1 0 339.399 2.111 20 5 EEBDRO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001157217739 1318496646 /nfs/dbraw/zinc/49/66/46/1318496646.db2.gz DCHKLUWURBLZCU-UHFFFAOYSA-N 1 0 343.299 2.049 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256098489 1318647684 /nfs/dbraw/zinc/64/76/84/1318647684.db2.gz BBGIKVHTOFFBJD-GOSISDBHSA-N 1 0 349.431 2.419 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc4cccc([N+](=O)[O-])c4n3)n2)c1 ZINC001158043417 1318982152 /nfs/dbraw/zinc/98/21/52/1318982152.db2.gz YOZBAWOXQWCRHA-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001158166885 1319054347 /nfs/dbraw/zinc/05/43/47/1319054347.db2.gz OXOASPVUQZYINQ-SHTZXODSSA-N 1 0 342.403 2.365 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC001257903128 1319101662 /nfs/dbraw/zinc/10/16/62/1319101662.db2.gz ZRFUEESJDXKIFS-LBPRGKRZSA-N 1 0 334.380 2.058 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1C=CC=CC=C1 ZINC001159026834 1319565383 /nfs/dbraw/zinc/56/53/83/1319565383.db2.gz PEMUQXKIQMXIMM-UHFFFAOYSA-N 1 0 327.384 2.489 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001159394336 1319778041 /nfs/dbraw/zinc/77/80/41/1319778041.db2.gz UFHBMQMDJKPYKF-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160338133 1320137833 /nfs/dbraw/zinc/13/78/33/1320137833.db2.gz RJHLRKCCSNNHFO-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO CCOc1nc(-n2nc(-c3ccncc3)cc2C[NH3+])ccc1[N+](=O)[O-] ZINC001160338540 1320138489 /nfs/dbraw/zinc/13/84/89/1320138489.db2.gz BKDCGKWCKJDIKE-UHFFFAOYSA-N 1 0 340.343 2.095 20 5 EEBDRO COc1cc(C)nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738530 1320254162 /nfs/dbraw/zinc/25/41/62/1320254162.db2.gz KLFIRACGCDOSRT-RKDXNWHRSA-N 1 0 334.298 2.259 20 5 EEBDRO CCc1cccnc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161518698 1320524654 /nfs/dbraw/zinc/52/46/54/1320524654.db2.gz NRXPTOMDNWSQKD-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)n1 ZINC001161670177 1320582071 /nfs/dbraw/zinc/58/20/71/1320582071.db2.gz WNOWQCMIYVGLMV-HDJSIYSDSA-N 1 0 349.435 2.008 20 5 EEBDRO COc1nc(SC)nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162453642 1320860168 /nfs/dbraw/zinc/86/01/68/1320860168.db2.gz KYKIVWPJNGLHLS-VHSXEESVSA-N 1 0 341.437 2.163 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)cnc1Cl ZINC001162789736 1320958751 /nfs/dbraw/zinc/95/87/51/1320958751.db2.gz LCWBQWKMKIQVEI-UJNFCWOMSA-N 1 0 330.722 2.056 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162795902 1320960205 /nfs/dbraw/zinc/96/02/05/1320960205.db2.gz BCMXRBHSKRAVCT-RRKCRQDMSA-N 1 0 349.700 2.243 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1C(F)(F)F ZINC001163154866 1321053479 /nfs/dbraw/zinc/05/34/79/1321053479.db2.gz QSLRYTGYYCRJEZ-ZANVPECISA-N 1 0 331.294 2.262 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)s1 ZINC001163280940 1321086980 /nfs/dbraw/zinc/08/69/80/1321086980.db2.gz VHRAIWXFXTXZNK-BMIGLBTASA-N 1 0 349.416 2.170 20 5 EEBDRO COc1c(F)cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163322227 1321097023 /nfs/dbraw/zinc/09/70/23/1321097023.db2.gz HDOKAVKZNFGJCS-BMIGLBTASA-N 1 0 325.340 2.066 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163762284 1321211737 /nfs/dbraw/zinc/21/17/37/1321211737.db2.gz BJONPHHIKYCLMI-UHFFFAOYSA-N 1 0 338.371 2.378 20 5 EEBDRO CCc1cccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001164490181 1321394777 /nfs/dbraw/zinc/39/47/77/1321394777.db2.gz BFQNIHXHRGUEKT-IAGOWNOFSA-N 1 0 345.443 2.290 20 5 EEBDRO COc1cc(C)nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001164608717 1321434131 /nfs/dbraw/zinc/43/41/31/1321434131.db2.gz VRWQESGZMYIDCX-HNNXBMFYSA-N 1 0 342.399 2.328 20 5 EEBDRO Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165081556 1321452102 /nfs/dbraw/zinc/45/21/02/1321452102.db2.gz LKFJZLLAAHZWAL-NVXWUHKLSA-N 1 0 339.399 2.404 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(-n2ccnc2CC[NH3+])cc1[N+](=O)[O-] ZINC001166369687 1321707274 /nfs/dbraw/zinc/70/72/74/1321707274.db2.gz HVTKXCKPHHQFOQ-UHFFFAOYSA-N 1 0 332.360 2.237 20 5 EEBDRO C[NH+]1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC001203574964 1321915343 /nfs/dbraw/zinc/91/53/43/1321915343.db2.gz UPKNKNXVIWNLDR-UHFFFAOYSA-N 1 0 327.388 2.481 20 5 EEBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CC(C)C)CC1 ZINC001263416175 1322477849 /nfs/dbraw/zinc/47/78/49/1322477849.db2.gz YTWTWECRWZFZLU-CQSZACIVSA-N 1 0 338.456 2.050 20 5 EEBDRO CC[N@H+](CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001306953989 1331501761 /nfs/dbraw/zinc/50/17/61/1331501761.db2.gz RNRWGSRMATVJGX-UHFFFAOYSA-N 1 0 345.359 2.369 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001306959659 1331503623 /nfs/dbraw/zinc/50/36/23/1331503623.db2.gz UUCBQVNCJGOMNP-UHFFFAOYSA-N 1 0 333.392 2.271 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001320024441 1332812214 /nfs/dbraw/zinc/81/22/14/1332812214.db2.gz SYNIJDIJKBMNBA-LSDHHAIUSA-N 1 0 332.404 2.493 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001609095836 1351840933 /nfs/dbraw/zinc/84/09/33/1351840933.db2.gz SFULMOHYFABCIG-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO O=C(c1cc2c(s1)CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327918319 1334363660 /nfs/dbraw/zinc/36/36/60/1334363660.db2.gz OOOHEEVIWKPRBM-UHFFFAOYSA-N 1 0 329.381 2.458 20 5 EEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC001328506189 1334470437 /nfs/dbraw/zinc/47/04/37/1334470437.db2.gz RATPHNWAXGGAJC-FZKQIMNGSA-N 1 0 344.415 2.148 20 5 EEBDRO C[C@@H](NC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC001338686507 1336893907 /nfs/dbraw/zinc/89/39/07/1336893907.db2.gz GKZBUKZERZFPBK-CYBMUJFWSA-N 1 0 332.404 2.441 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001338722801 1336899683 /nfs/dbraw/zinc/89/96/83/1336899683.db2.gz WTLYBHXHEBHYQQ-BLLLJJGKSA-N 1 0 329.356 2.245 20 5 EEBDRO Cn1c2ccccc2c(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1=O ZINC001342864927 1337322787 /nfs/dbraw/zinc/32/27/87/1337322787.db2.gz UUEYVYOHXVIKKL-ZDUSSCGKSA-N 1 0 342.399 2.121 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2C[NH3+])c1C ZINC001345929856 1337475642 /nfs/dbraw/zinc/47/56/42/1337475642.db2.gz BSPFWYIYTPRFPU-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000847885206 1338359027 /nfs/dbraw/zinc/35/90/27/1338359027.db2.gz LSGKORBGUWWMIB-ZDUSSCGKSA-N 1 0 336.388 2.352 20 5 EEBDRO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266264 1338475948 /nfs/dbraw/zinc/47/59/48/1338475948.db2.gz JEEUNPSJGFFSHW-DYVFJYSZSA-N 1 0 343.431 2.498 20 5 EEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001357472376 1338992088 /nfs/dbraw/zinc/99/20/88/1338992088.db2.gz ORIRFWQLQNIMFH-KRWDZBQOSA-N 1 0 335.379 2.269 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001575107832 1343737739 /nfs/dbraw/zinc/73/77/39/1343737739.db2.gz KHZDCRFCCYPWAK-CYBMUJFWSA-N 1 0 330.388 2.433 20 5 EEBDRO [NH3+][C@H]1CCSC2(CC(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001580198693 1344488251 /nfs/dbraw/zinc/48/82/51/1344488251.db2.gz FXRLVAUSKZXEOC-UYJPIKCFSA-N 1 0 335.429 2.214 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001591730665 1349536840 /nfs/dbraw/zinc/53/68/40/1349536840.db2.gz ZWBDJWFOVODRNZ-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC001603150628 1350650792 /nfs/dbraw/zinc/65/07/92/1350650792.db2.gz HOUPDHQQBVELIY-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000852287828 1369258220 /nfs/dbraw/zinc/25/82/20/1369258220.db2.gz HFRVIVXAJPILIB-QZTJIDSGSA-N 1 0 330.384 2.164 20 5 EEBDRO CC(C)C[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853488552 1369339405 /nfs/dbraw/zinc/33/94/05/1369339405.db2.gz KFFMKHLYWXMNLJ-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccon1 ZINC001752244652 1406241221 /nfs/dbraw/zinc/24/12/21/1406241221.db2.gz ZZFHIZTTYZYQKL-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001590495608 1403880776 /nfs/dbraw/zinc/88/07/76/1403880776.db2.gz FNUSPPAZWUZKDT-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CN(CCOCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C ZINC001755877152 1407930562 /nfs/dbraw/zinc/93/05/62/1407930562.db2.gz AKOTVRIKKJIKTK-UHFFFAOYSA-N 1 0 337.420 2.206 20 5 EEBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1cccc(F)c1[N+](=O)[O-] ZINC001100607177 1410680066 /nfs/dbraw/zinc/68/00/66/1410680066.db2.gz OOZZLQWAABKDAU-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165036347 721886630 /nfs/dbraw/zinc/88/66/30/721886630.db2.gz SQPBINYFSNKVSP-QMMMGPOBSA-N 1 0 331.829 2.291 20 5 EEBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918625013 769267311 /nfs/dbraw/zinc/26/73/11/769267311.db2.gz HANOGLWGXRYZGT-UHFFFAOYSA-N 1 0 330.388 2.169 20 5 EEBDRO Cc1cc(C)c(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000981136866 776581295 /nfs/dbraw/zinc/58/12/95/776581295.db2.gz JJMGDWRDBOENQO-SJLPKXTDSA-N 1 0 345.443 2.311 20 5 EEBDRO CCCn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001135712517 784282893 /nfs/dbraw/zinc/28/28/93/784282893.db2.gz YCOZPQJYPIEVDT-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000817277775 784655138 /nfs/dbraw/zinc/65/51/38/784655138.db2.gz MLVFVLNKMCUTSM-NWDGAFQWSA-N 1 0 339.367 2.013 20 5 EEBDRO CON1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000817419172 784768843 /nfs/dbraw/zinc/76/88/43/784768843.db2.gz QFQLHUZMVCCHMF-UHFFFAOYSA-N 1 0 334.420 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817906896 785061609 /nfs/dbraw/zinc/06/16/09/785061609.db2.gz GIYHTDPKIPSNEX-CWRNSKLLSA-N 1 0 339.823 2.495 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534211 785274813 /nfs/dbraw/zinc/27/48/13/785274813.db2.gz IXXSTNXMCVDXMK-UHFFFAOYSA-N 1 0 342.399 2.092 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908608824 785563345 /nfs/dbraw/zinc/56/33/45/785563345.db2.gz MMJIVLACRZDZBV-UHFFFAOYSA-N 1 0 349.431 2.177 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000820503340 785962306 /nfs/dbraw/zinc/96/23/06/785962306.db2.gz GNMRAUAQTFQEDS-CZUORRHYSA-N 1 0 346.431 2.360 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001107471440 787332414 /nfs/dbraw/zinc/33/24/14/787332414.db2.gz SLDKJYDYQAAVJG-SNAWJCMRSA-N 1 0 346.431 2.329 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822863805 787442686 /nfs/dbraw/zinc/44/26/86/787442686.db2.gz UZEXVNZAWHSVCH-VXGBXAGGSA-N 1 0 332.360 2.433 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823200170 787616371 /nfs/dbraw/zinc/61/63/71/787616371.db2.gz QYMOHYNCAPBSCN-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO C[NH+](C)C1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000823742672 787897382 /nfs/dbraw/zinc/89/73/82/787897382.db2.gz UFMJJPAAJGBUAY-OAHLLOKOSA-N 1 0 335.404 2.009 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000823974940 788004642 /nfs/dbraw/zinc/00/46/42/788004642.db2.gz XGOMQPDJSDDHAL-CYBMUJFWSA-N 1 0 347.419 2.373 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000823974135 788005270 /nfs/dbraw/zinc/00/52/70/788005270.db2.gz PRHKUJBCDKQQRR-SMDDNHRTSA-N 1 0 333.392 2.125 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823988134 788009213 /nfs/dbraw/zinc/00/92/13/788009213.db2.gz UNPFESUYXPEWMO-GFCCVEGCSA-N 1 0 335.408 2.373 20 5 EEBDRO Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000823993916 788011652 /nfs/dbraw/zinc/01/16/52/788011652.db2.gz LLIGCSJBTVZDGP-CYBMUJFWSA-N 1 0 333.392 2.269 20 5 EEBDRO CN(CCOC(=O)C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000805867634 788198953 /nfs/dbraw/zinc/19/89/53/788198953.db2.gz NEUQIKUKIYAMPX-UHFFFAOYSA-N 1 0 347.415 2.449 20 5 EEBDRO CCCc1onc(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127112754 789335092 /nfs/dbraw/zinc/33/50/92/789335092.db2.gz WZCUPAIRBJXHBL-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC001147482736 791854423 /nfs/dbraw/zinc/85/44/23/791854423.db2.gz ATZYRMIXVQFZLE-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000063804478 791953691 /nfs/dbraw/zinc/95/36/91/791953691.db2.gz WGBGLAQAOULDIK-MRXNPFEDSA-N 1 0 334.420 2.417 20 5 EEBDRO CC[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595674 793868557 /nfs/dbraw/zinc/86/85/57/793868557.db2.gz KOGASQNNWGSFCL-LLVKDONJSA-N 1 0 340.181 2.407 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001110150213 795724421 /nfs/dbraw/zinc/72/44/21/795724421.db2.gz WKCQKZUUPFJWJL-UHFFFAOYSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1cnc(NCCNC(=O)CC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001094007617 795855070 /nfs/dbraw/zinc/85/50/70/795855070.db2.gz XBURIEYXXTUXCG-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC001094668279 796503807 /nfs/dbraw/zinc/50/38/07/796503807.db2.gz ROXHTUUIYTZODW-UHFFFAOYSA-N 1 0 339.355 2.475 20 5 EEBDRO CS(=O)(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902119 797130116 /nfs/dbraw/zinc/13/01/16/797130116.db2.gz VLTWOGTZOUOZPY-OFQRWUPVSA-N 1 0 338.429 2.007 20 5 EEBDRO C[C@@H](CCO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011867 797196018 /nfs/dbraw/zinc/19/60/18/797196018.db2.gz MNZYPQOYFLPFCJ-JTQLQIEISA-N 1 0 329.347 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)c2ccccn2)c1F ZINC001173183718 797280467 /nfs/dbraw/zinc/28/04/67/797280467.db2.gz NGVDSWARQFNRBM-SMDDNHRTSA-N 1 0 349.362 2.392 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c2nonc21 ZINC000917064122 798052503 /nfs/dbraw/zinc/05/25/03/798052503.db2.gz JJNCUHDBRBYUDJ-GFCCVEGCSA-N 1 0 347.375 2.186 20 5 EEBDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001002784159 798605851 /nfs/dbraw/zinc/60/58/51/798605851.db2.gz YYMYRCKVWOTBHR-SJLPKXTDSA-N 1 0 345.443 2.358 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458372 799484214 /nfs/dbraw/zinc/48/42/14/799484214.db2.gz DKTKLTDILMDVNP-HZPDHXFCSA-N 1 0 337.395 2.257 20 5 EEBDRO C[NH+]1CCC(O)(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001182032194 801003054 /nfs/dbraw/zinc/00/30/54/801003054.db2.gz BHTISPWXHVWXMA-UHFFFAOYSA-N 1 0 336.395 2.178 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001110319318 801267851 /nfs/dbraw/zinc/26/78/51/801267851.db2.gz WNFKPWDOTVLMCJ-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO C[N@H+](CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1)CC(C)(C)C ZINC001110357619 802345640 /nfs/dbraw/zinc/34/56/40/802345640.db2.gz AUXYSSGGSSQBKL-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168993570 803561231 /nfs/dbraw/zinc/56/12/31/803561231.db2.gz NHAGQQOSTNKLAL-QWHCGFSZSA-N 1 0 327.425 2.469 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC001168996050 803562816 /nfs/dbraw/zinc/56/28/16/803562816.db2.gz UNWOHRDCESHZHR-DOTOQJQBSA-N 1 0 333.432 2.392 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccncc1 ZINC001168998432 803563805 /nfs/dbraw/zinc/56/38/05/803563805.db2.gz NADLWUDOUCZBCQ-HJWJTTGWSA-N 1 0 346.431 2.158 20 5 EEBDRO Cc1cccnc1C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998150 803563992 /nfs/dbraw/zinc/56/39/92/803563992.db2.gz ITWCRDOWLKCSLL-JKSUJKDBSA-N 1 0 333.432 2.473 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006577 803567912 /nfs/dbraw/zinc/56/79/12/803567912.db2.gz IKXBXKAPSVPENY-ZIAGYGMSSA-N 1 0 330.388 2.395 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169012240 803571347 /nfs/dbraw/zinc/57/13/47/803571347.db2.gz OTLDCOYEKPFVFO-XQLPTFJDSA-N 1 0 339.436 2.231 20 5 EEBDRO C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042850 803584683 /nfs/dbraw/zinc/58/46/83/803584683.db2.gz GMRGNKWUPAAEHH-IPMKNSEASA-N 1 0 347.459 2.265 20 5 EEBDRO CC(C)n1nc(CN(C)C)c2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022219 803588782 /nfs/dbraw/zinc/58/87/82/803588782.db2.gz QTRMHRQVIZCSEW-GJZGRUSLSA-N 1 0 349.479 2.329 20 5 EEBDRO O=C(c1ccsc1)N1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169026460 803592425 /nfs/dbraw/zinc/59/24/25/803592425.db2.gz XGLRYJCWWNHJAZ-SYAUCNOPSA-N 1 0 349.456 2.197 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804339361 804091477 /nfs/dbraw/zinc/09/14/77/804091477.db2.gz FGVDTWYGIIMTRR-RYUDHWBXSA-N 1 0 338.364 2.414 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2cccnc2)n1 ZINC000788434655 807513009 /nfs/dbraw/zinc/51/30/09/807513009.db2.gz FNYMOAOXJMOZRO-CABCVRRESA-N 1 0 331.376 2.339 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC001170352399 809900938 /nfs/dbraw/zinc/90/09/38/809900938.db2.gz MPDUJAGIWBRYDD-PXAZEXFGSA-N 1 0 349.387 2.109 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804450336 810875416 /nfs/dbraw/zinc/87/54/16/810875416.db2.gz SFNDICPJUJIBPF-UHFFFAOYSA-N 1 0 338.364 2.050 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnc(C2CC2)c1 ZINC001130877170 812141690 /nfs/dbraw/zinc/14/16/90/812141690.db2.gz LFSXYVOPQJRPOP-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO Cc1cncc(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131296777 812621837 /nfs/dbraw/zinc/62/18/37/812621837.db2.gz ZWKLGESKJWIUGW-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056333027 214370939 /nfs/dbraw/zinc/37/09/39/214370939.db2.gz UGMRSBACNFVYJJ-UHFFFAOYSA-N 1 0 343.387 2.068 20 5 EEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000175003371 529467037 /nfs/dbraw/zinc/46/70/37/529467037.db2.gz QWMJYGJQCPARGO-UHFFFAOYSA-N 1 0 335.408 2.017 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175089395 231382081 /nfs/dbraw/zinc/38/20/81/231382081.db2.gz JDFCPCOTGIDXIM-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO CNC(=O)CCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000155246791 529851985 /nfs/dbraw/zinc/85/19/85/529851985.db2.gz QJHWIFDGFDDFMH-UHFFFAOYSA-N 1 0 346.387 2.250 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000186773552 529902603 /nfs/dbraw/zinc/90/26/03/529902603.db2.gz GJDKPYPKASHXJZ-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000130650489 529932956 /nfs/dbraw/zinc/93/29/56/529932956.db2.gz RFYWPMNBYKQZCM-ZDUSSCGKSA-N 1 0 334.420 2.344 20 5 EEBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(CO)CC1 ZINC000186784957 529938600 /nfs/dbraw/zinc/93/86/00/529938600.db2.gz OSXQBZZWSPNOOW-UHFFFAOYSA-N 1 0 331.372 2.497 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000181168884 234103632 /nfs/dbraw/zinc/10/36/32/234103632.db2.gz ZHNGUWIYYIEXBH-ZDUSSCGKSA-N 1 0 347.371 2.024 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181816560 234336098 /nfs/dbraw/zinc/33/60/98/234336098.db2.gz GHNPXNSXQLIMCL-MCIONIFRSA-N 1 0 335.404 2.190 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000492334539 283061369 /nfs/dbraw/zinc/06/13/69/283061369.db2.gz BVGRETMLZFDSIV-ILVPNPQQSA-N 1 0 333.363 2.300 20 5 EEBDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087509 240359549 /nfs/dbraw/zinc/35/95/49/240359549.db2.gz OIFNCSDQKOEBLW-MFKMUULPSA-N 1 0 347.337 2.470 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130204559 223132542 /nfs/dbraw/zinc/13/25/42/223132542.db2.gz CKGZDULBKFDCOG-NSHDSACASA-N 1 0 346.412 2.448 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422716273 240188192 /nfs/dbraw/zinc/18/81/92/240188192.db2.gz UCXSQHVKALOLFX-NSHDSACASA-N 1 0 339.370 2.254 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423701025 240576096 /nfs/dbraw/zinc/57/60/96/240576096.db2.gz UQKKDTZJSFBQAB-NEPJUHHUSA-N 1 0 328.372 2.390 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000229868272 242210951 /nfs/dbraw/zinc/21/09/51/242210951.db2.gz YVOQNENHXLNBCJ-JSGCOSHPSA-N 1 0 328.372 2.433 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000237753479 242784350 /nfs/dbraw/zinc/78/43/50/242784350.db2.gz VAJQWMWOHHOLEY-CQSZACIVSA-N 1 0 341.433 2.089 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000262188768 244850767 /nfs/dbraw/zinc/85/07/67/244850767.db2.gz SBCNIUUTLULNMB-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459247317 245046925 /nfs/dbraw/zinc/04/69/25/245046925.db2.gz CJZYEOIBIQXLLA-AWEZNQCLSA-N 1 0 334.420 2.468 20 5 EEBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCC(O)CC2)ccc2ncccc21 ZINC000112075169 220239764 /nfs/dbraw/zinc/23/97/64/220239764.db2.gz WSRMYRCKFSEZIV-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264675789 246767722 /nfs/dbraw/zinc/76/77/22/246767722.db2.gz NLMYFHMRKIGZDY-NEPJUHHUSA-N 1 0 337.424 2.121 20 5 EEBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265048239 247161793 /nfs/dbraw/zinc/16/17/93/247161793.db2.gz PDLZDTBYFFQEJM-SJORKVTESA-N 1 0 347.415 2.109 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000265131543 247233201 /nfs/dbraw/zinc/23/32/01/247233201.db2.gz NFCLKXLGHDWTFI-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266530135 248347423 /nfs/dbraw/zinc/34/74/23/248347423.db2.gz LSAHGBIACVIPTR-SJORKVTESA-N 1 0 332.404 2.481 20 5 EEBDRO C[C@@H]([NH3+])CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000178653601 532954832 /nfs/dbraw/zinc/95/48/32/532954832.db2.gz KHQGLMGCOBDVAB-SECBINFHSA-N 1 0 348.325 2.269 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000261810541 256016216 /nfs/dbraw/zinc/01/62/16/256016216.db2.gz VRDMTZKZKOECMM-TZMCWYRMSA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267863924 256092486 /nfs/dbraw/zinc/09/24/86/256092486.db2.gz BCEPWZNEJVFYNZ-OCCSQVGLSA-N 1 0 332.404 2.062 20 5 EEBDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000276007418 256395121 /nfs/dbraw/zinc/39/51/21/256395121.db2.gz PGHPTVFKGRBFGZ-JTQLQIEISA-N 1 0 334.319 2.108 20 5 EEBDRO CCOCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274129006 256356398 /nfs/dbraw/zinc/35/63/98/256356398.db2.gz VYIADIIFNIKYAC-UHFFFAOYSA-N 1 0 333.392 2.020 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000154435010 533539169 /nfs/dbraw/zinc/53/91/69/533539169.db2.gz RXFKMBBHLWLPPQ-MRXNPFEDSA-N 1 0 332.356 2.474 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000077639438 292189476 /nfs/dbraw/zinc/18/94/76/292189476.db2.gz ISCAMKGYYVUHOO-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO Cn1cc(N2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cn1 ZINC000119266219 292243475 /nfs/dbraw/zinc/24/34/75/292243475.db2.gz FYTMUAQAIJDTGW-UHFFFAOYSA-N 1 0 335.795 2.304 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236728 154098812 /nfs/dbraw/zinc/09/88/12/154098812.db2.gz GHJGLRAQMLNAJI-STQMWFEESA-N 1 0 336.388 2.470 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000081363210 159151309 /nfs/dbraw/zinc/15/13/09/159151309.db2.gz IHVXWXJNOMFMME-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186940411 160087132 /nfs/dbraw/zinc/08/71/32/160087132.db2.gz FNBUOECWSQUSKL-UHFFFAOYSA-N 1 0 348.378 2.000 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000194655711 160197663 /nfs/dbraw/zinc/19/76/63/160197663.db2.gz AZLYGVBKVPOPOU-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO COCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000194957478 160203033 /nfs/dbraw/zinc/20/30/33/160203033.db2.gz PKVJCJPURYPLTO-UHFFFAOYSA-N 1 0 348.403 2.002 20 5 EEBDRO CC[C@H](CSC)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245572046 160243430 /nfs/dbraw/zinc/24/34/30/160243430.db2.gz CFRQKBQMERMOFQ-TZMCWYRMSA-N 1 0 328.434 2.408 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247122743 160311261 /nfs/dbraw/zinc/31/12/61/160311261.db2.gz AMBINQFYKMCYML-GDBMZVCRSA-N 1 0 346.431 2.340 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000341679192 161004934 /nfs/dbraw/zinc/00/49/34/161004934.db2.gz AZXGJWDZGISHDU-CYBMUJFWSA-N 1 0 328.434 2.330 20 5 EEBDRO C[N@H+](CC[C@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342577169 161075310 /nfs/dbraw/zinc/07/53/10/161075310.db2.gz BAPUVAYHVKACET-CVEARBPZSA-N 1 0 333.388 2.201 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC[N@@H+]1C ZINC000343575278 161148047 /nfs/dbraw/zinc/14/80/47/161148047.db2.gz WSXBAMIZZIJFAP-SKDRFNHKSA-N 1 0 343.330 2.409 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)co2)cc1 ZINC000344062293 161194992 /nfs/dbraw/zinc/19/49/92/161194992.db2.gz NDRJKEKROGIXGQ-VBNZEHGJSA-N 1 0 329.356 2.453 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000344068803 161195637 /nfs/dbraw/zinc/19/56/37/161195637.db2.gz KLLSRLLKWOYKPD-QGTPRVQTSA-N 1 0 347.415 2.210 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000345829513 161335709 /nfs/dbraw/zinc/33/57/09/161335709.db2.gz YRRRZMRVDCHZQT-SNVBAGLBSA-N 1 0 333.344 2.217 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000346685657 161391757 /nfs/dbraw/zinc/39/17/57/161391757.db2.gz IVCVGHUCJIPALM-STQMWFEESA-N 1 0 349.387 2.115 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000352488067 162154449 /nfs/dbraw/zinc/15/44/49/162154449.db2.gz LUSIHUYTQQIIHZ-GJZGRUSLSA-N 1 0 337.445 2.430 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000368155557 166059742 /nfs/dbraw/zinc/05/97/42/166059742.db2.gz OWSUQMMVUXZWBH-MRXNPFEDSA-N 1 0 344.415 2.067 20 5 EEBDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000368245560 166075334 /nfs/dbraw/zinc/07/53/34/166075334.db2.gz VDVXPGHYNHOLTA-MRXNPFEDSA-N 1 0 343.387 2.375 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000365177842 165399842 /nfs/dbraw/zinc/39/98/42/165399842.db2.gz LWILRFVDLYXUDT-WMLDXEAASA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000365177841 165399979 /nfs/dbraw/zinc/39/99/79/165399979.db2.gz LWILRFVDLYXUDT-RHSMWYFYSA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365206235 165408688 /nfs/dbraw/zinc/40/86/88/165408688.db2.gz WUAIETDAOJBZQK-RHSMWYFYSA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000375757160 167186769 /nfs/dbraw/zinc/18/67/69/167186769.db2.gz KQEWUJUKGAPUAJ-PBHICJAKSA-N 1 0 346.431 2.116 20 5 EEBDRO CC[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157410850 292567986 /nfs/dbraw/zinc/56/79/86/292567986.db2.gz VMGRUPMYYUIROD-UHFFFAOYSA-N 1 0 329.404 2.133 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000171412720 227068775 /nfs/dbraw/zinc/06/87/75/227068775.db2.gz LQFXWQQUVDSPNH-BQYQJAHWSA-N 1 0 347.415 2.225 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122506796 222102158 /nfs/dbraw/zinc/10/21/58/222102158.db2.gz DESKMUSDKJKHFJ-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000122658221 222133004 /nfs/dbraw/zinc/13/30/04/222133004.db2.gz NEHCPMNZLIBRDL-BDAKNGLRSA-N 1 0 342.193 2.180 20 5 EEBDRO COCCOCCOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000274421257 269032661 /nfs/dbraw/zinc/03/26/61/269032661.db2.gz QLXKLBLWUWFTLW-UHFFFAOYSA-N 1 0 326.393 2.063 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000275472532 269119292 /nfs/dbraw/zinc/11/92/92/269119292.db2.gz MEGSXNHNKZARHY-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277805869 269185330 /nfs/dbraw/zinc/18/53/30/269185330.db2.gz PQQLRXFBSSEVHW-GOSISDBHSA-N 1 0 347.415 2.111 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@H+](C)C1 ZINC000279621228 269295038 /nfs/dbraw/zinc/29/50/38/269295038.db2.gz YJLKFNQXJVXQDA-VIFPVBQESA-N 1 0 327.768 2.398 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280656297 269383001 /nfs/dbraw/zinc/38/30/01/269383001.db2.gz ZOJZZTAVRVCAIR-NVXWUHKLSA-N 1 0 338.404 2.226 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1[NH+](C)C ZINC000271387628 274127880 /nfs/dbraw/zinc/12/78/80/274127880.db2.gz BXBYATHBJBSWGS-GJZGRUSLSA-N 1 0 348.428 2.194 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272508786 274174394 /nfs/dbraw/zinc/17/43/94/274174394.db2.gz YEUIKZIWQGTCCI-CYBMUJFWSA-N 1 0 340.811 2.184 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274740046 274219608 /nfs/dbraw/zinc/21/96/08/274219608.db2.gz VLULSBZFVIQZTO-IINYFYTJSA-N 1 0 331.376 2.048 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000278687959 274389491 /nfs/dbraw/zinc/38/94/91/274389491.db2.gz HFDAOTMYTDGEJM-NSHDSACASA-N 1 0 340.811 2.333 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235061 274457731 /nfs/dbraw/zinc/45/77/31/274457731.db2.gz JLSONIWPZOABDL-GWCFXTLKSA-N 1 0 341.795 2.327 20 5 EEBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245757709 275030721 /nfs/dbraw/zinc/03/07/21/275030721.db2.gz FPVYDASFGWSRKT-YLFCFFPRSA-N 1 0 345.399 2.247 20 5 EEBDRO COc1cc(C[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])cc1OC ZINC000290590837 275220977 /nfs/dbraw/zinc/22/09/77/275220977.db2.gz VFKMXGORMIJCPK-UHFFFAOYSA-N 1 0 334.376 2.331 20 5 EEBDRO CC(C)CC[NH+]1CCC(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290848455 275245986 /nfs/dbraw/zinc/24/59/86/275245986.db2.gz WZOLGRGKFRUIDO-UHFFFAOYSA-N 1 0 349.435 2.259 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1 ZINC000291628953 275324629 /nfs/dbraw/zinc/32/46/29/275324629.db2.gz BLDFAWRCWSRTNW-LBPRGKRZSA-N 1 0 348.403 2.087 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194739983 277062143 /nfs/dbraw/zinc/06/21/43/277062143.db2.gz FIKIFFPOGUHKBE-OAHLLOKOSA-N 1 0 346.431 2.022 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454275473 277303904 /nfs/dbraw/zinc/30/39/04/277303904.db2.gz NIOODDDJUADKLN-LBPRGKRZSA-N 1 0 349.416 2.126 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000070175058 278318008 /nfs/dbraw/zinc/31/80/08/278318008.db2.gz UQLWDFFYPUJVJE-BDAKNGLRSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262099677 278474750 /nfs/dbraw/zinc/47/47/50/278474750.db2.gz ZFIFHJKTWGRBCK-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170743646 280246327 /nfs/dbraw/zinc/24/63/27/280246327.db2.gz NXWYDAYZAWNHKD-GJZGRUSLSA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193095253 280259640 /nfs/dbraw/zinc/25/96/40/280259640.db2.gz BTCAFXDTQBHXEO-LBPRGKRZSA-N 1 0 341.433 2.056 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367420837 280364800 /nfs/dbraw/zinc/36/48/00/280364800.db2.gz VQMRKVZAYFIBJZ-HIFRSBDPSA-N 1 0 325.796 2.284 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000267411259 289379692 /nfs/dbraw/zinc/37/96/92/289379692.db2.gz OPPDSELSIUTDIP-GJZGRUSLSA-N 1 0 334.420 2.309 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009819 292882726 /nfs/dbraw/zinc/88/27/26/292882726.db2.gz GFVKVIREFIXMGK-RYUDHWBXSA-N 1 0 337.376 2.019 20 5 EEBDRO COc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000292972535 293091726 /nfs/dbraw/zinc/09/17/26/293091726.db2.gz LGKQHGRNPGPDLE-UHFFFAOYSA-N 1 0 326.303 2.355 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC2CCOCC2)CC1 ZINC000293191308 293147754 /nfs/dbraw/zinc/14/77/54/293147754.db2.gz QGAAQDSIBZSGQA-UHFFFAOYSA-N 1 0 347.415 2.169 20 5 EEBDRO CN(C)C(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295074802 293607682 /nfs/dbraw/zinc/60/76/82/293607682.db2.gz DIVOFPXNWXCHQY-OAHLLOKOSA-N 1 0 335.404 2.009 20 5 EEBDRO CCC[NH2+][C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295297234 293675287 /nfs/dbraw/zinc/67/52/87/293675287.db2.gz XIKNFDDINXWRCF-CYBMUJFWSA-N 1 0 335.404 2.353 20 5 EEBDRO COc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296922306 294102451 /nfs/dbraw/zinc/10/24/51/294102451.db2.gz FWPPHJWMFNODIL-AGUYFDCRSA-N 1 0 348.403 2.028 20 5 EEBDRO CCOC1(C)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298219849 294447827 /nfs/dbraw/zinc/44/78/27/294447827.db2.gz FVCBHGJDBCZXFR-OAHLLOKOSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000414962502 313117044 /nfs/dbraw/zinc/11/70/44/313117044.db2.gz ZSWVEOQKEJGGPB-PSASIEDQSA-N 1 0 344.318 2.397 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000417712115 313573688 /nfs/dbraw/zinc/57/36/88/313573688.db2.gz FJSWUAYFVJGEOC-CQSZACIVSA-N 1 0 349.435 2.099 20 5 EEBDRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000417990670 313680082 /nfs/dbraw/zinc/68/00/82/313680082.db2.gz MMBUCRXHHLVAMW-GWCFXTLKSA-N 1 0 340.811 2.169 20 5 EEBDRO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000418341226 313788127 /nfs/dbraw/zinc/78/81/27/313788127.db2.gz LYEWGYBDOLYAHM-ZFWWWQNUSA-N 1 0 334.420 2.167 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418352048 313790789 /nfs/dbraw/zinc/79/07/89/313790789.db2.gz UNERGNVRRQFFOE-AWEZNQCLSA-N 1 0 332.404 2.268 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000418526822 313838151 /nfs/dbraw/zinc/83/81/51/313838151.db2.gz OQKVYJSTYBEJFR-UHFFFAOYSA-N 1 0 348.403 2.029 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418551879 313844719 /nfs/dbraw/zinc/84/47/19/313844719.db2.gz QKPPEPNCHBISND-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@@H+]1C ZINC000421015796 314026014 /nfs/dbraw/zinc/02/60/14/314026014.db2.gz XPJHJNCJIALXQA-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@@H](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000421021442 314027913 /nfs/dbraw/zinc/02/79/13/314027913.db2.gz SREMJXXNAJMFJT-CQSZACIVSA-N 1 0 335.404 2.408 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCO)CC2)c2c(c1)COCO2 ZINC000421028452 314031224 /nfs/dbraw/zinc/03/12/24/314031224.db2.gz ADPGJXNGMCADEJ-CYBMUJFWSA-N 1 0 336.388 2.446 20 5 EEBDRO CON1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421401997 314097228 /nfs/dbraw/zinc/09/72/28/314097228.db2.gz VDGUBWXBNUMRJF-UHFFFAOYSA-N 1 0 331.319 2.312 20 5 EEBDRO COC(=O)[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000425248574 314365792 /nfs/dbraw/zinc/36/57/92/314365792.db2.gz ABAQPGUPSNMBHS-BDJLRTHQSA-N 1 0 345.355 2.218 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000430549636 314543733 /nfs/dbraw/zinc/54/37/33/314543733.db2.gz FEXLGQIMWKMWHI-NSHDSACASA-N 1 0 345.346 2.389 20 5 EEBDRO C[C@H]([NH3+])C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430928096 314593124 /nfs/dbraw/zinc/59/31/24/314593124.db2.gz SIJPHSPYAQTBTG-NSHDSACASA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430974011 314601822 /nfs/dbraw/zinc/60/18/22/314601822.db2.gz ZXBHIXUPFYLHNP-UWVGGRQHSA-N 1 0 345.346 2.387 20 5 EEBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000435384441 314898738 /nfs/dbraw/zinc/89/87/38/314898738.db2.gz MKUANSAPYOEZLJ-STQMWFEESA-N 1 0 329.404 2.178 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000444401274 315299383 /nfs/dbraw/zinc/29/93/83/315299383.db2.gz BHVXFPREKUCTMY-CYBMUJFWSA-N 1 0 333.388 2.350 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444984071 315335855 /nfs/dbraw/zinc/33/58/55/315335855.db2.gz CWZHOTMZNGNKLD-NSHDSACASA-N 1 0 348.407 2.001 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448879311 315396351 /nfs/dbraw/zinc/39/63/51/315396351.db2.gz ZJHUQWIGEUOUKY-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000563361196 319000476 /nfs/dbraw/zinc/00/04/76/319000476.db2.gz DNMDIFNEQNOGPD-UHFFFAOYSA-N 1 0 348.403 2.061 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000565670255 319203517 /nfs/dbraw/zinc/20/35/17/319203517.db2.gz HWZZCZQQLFTZSJ-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566248378 319264802 /nfs/dbraw/zinc/26/48/02/319264802.db2.gz BPEAKPUPZJQWDR-ZIAGYGMSSA-N 1 0 346.431 2.007 20 5 EEBDRO C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000576029775 320135115 /nfs/dbraw/zinc/13/51/15/320135115.db2.gz ALHMPZQEOKJIRJ-AEFFLSMTSA-N 1 0 344.415 2.036 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000577885706 320282566 /nfs/dbraw/zinc/28/25/66/320282566.db2.gz RBLUBCKNKWKKBO-CYBMUJFWSA-N 1 0 345.403 2.152 20 5 EEBDRO CC(F)(F)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578996225 323753647 /nfs/dbraw/zinc/75/36/47/323753647.db2.gz IOPLLTVRQFFWEJ-AWEZNQCLSA-N 1 0 340.330 2.054 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000270186035 464212851 /nfs/dbraw/zinc/21/28/51/464212851.db2.gz AWEWBRMDYDVEAC-UHFFFAOYSA-N 1 0 342.193 2.135 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000347577813 465101379 /nfs/dbraw/zinc/10/13/79/465101379.db2.gz GSQKRAQHIGRFIZ-CVEARBPZSA-N 1 0 343.431 2.386 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000347592469 465110552 /nfs/dbraw/zinc/11/05/52/465110552.db2.gz NNBZOYJSYDSHHO-HUUCEWRRSA-N 1 0 343.431 2.423 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000354735633 465121989 /nfs/dbraw/zinc/12/19/89/465121989.db2.gz SFGFQHNSVQNSKF-OCCSQVGLSA-N 1 0 343.387 2.192 20 5 EEBDRO CO[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264531 465134904 /nfs/dbraw/zinc/13/49/04/465134904.db2.gz YLYDTGXEIYGKOI-HOCLYGCPSA-N 1 0 338.404 2.081 20 5 EEBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347637015 465140310 /nfs/dbraw/zinc/14/03/10/465140310.db2.gz HDZMEVFTCOVDHT-ZDUSSCGKSA-N 1 0 346.387 2.474 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000128159704 462614255 /nfs/dbraw/zinc/61/42/55/462614255.db2.gz XHGMAIARJUVYFF-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO CCN(CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000128322133 462628975 /nfs/dbraw/zinc/62/89/75/462628975.db2.gz FKPJBBZHARUMLZ-CYBMUJFWSA-N 1 0 343.449 2.225 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1SC ZINC000153398096 462646483 /nfs/dbraw/zinc/64/64/83/462646483.db2.gz ZTJDUMDTEYPCBW-UWVGGRQHSA-N 1 0 339.417 2.148 20 5 EEBDRO CCNc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000154060828 462725893 /nfs/dbraw/zinc/72/58/93/462725893.db2.gz CTPCLGIDFMHDNI-INIZCTEOSA-N 1 0 334.420 2.439 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154230459 462743413 /nfs/dbraw/zinc/74/34/13/462743413.db2.gz YDZXPANDBDSPFM-OUAUKWLOSA-N 1 0 341.795 2.224 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000133651651 462955880 /nfs/dbraw/zinc/95/58/80/462955880.db2.gz YNVGBVRTPFUWNE-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092606272 462964918 /nfs/dbraw/zinc/96/49/18/462964918.db2.gz ONTAIBPHGIEYES-UHFFFAOYSA-N 1 0 344.362 2.246 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000133767451 462968287 /nfs/dbraw/zinc/96/82/87/462968287.db2.gz IUTBPLQZMSLLAR-BBWFWOEESA-N 1 0 330.388 2.078 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000092655496 462969188 /nfs/dbraw/zinc/96/91/88/462969188.db2.gz ICGZDPNPKOEOPF-SNVBAGLBSA-N 1 0 334.405 2.045 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016222732 462972497 /nfs/dbraw/zinc/97/24/97/462972497.db2.gz ZTQBGCMVUGILLL-KRWDZBQOSA-N 1 0 343.383 2.393 20 5 EEBDRO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000050573899 463001365 /nfs/dbraw/zinc/00/13/65/463001365.db2.gz QBSOIJVWYKUECW-JTQLQIEISA-N 1 0 334.401 2.398 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000156314681 463006406 /nfs/dbraw/zinc/00/64/06/463006406.db2.gz DTPXUXDAAPLCNF-MLGOLLRUSA-N 1 0 337.395 2.465 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094069735 463057060 /nfs/dbraw/zinc/05/70/60/463057060.db2.gz IQZUGRULKUSYKD-HUUCEWRRSA-N 1 0 347.415 2.113 20 5 EEBDRO CCOC(=O)c1ccnc(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000077927673 463071921 /nfs/dbraw/zinc/07/19/21/463071921.db2.gz WGQWOBRNYGNSTP-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590776547 468336375 /nfs/dbraw/zinc/33/63/75/468336375.db2.gz YCTITYOHLDTOPH-RNCFNFMXSA-N 1 0 343.305 2.390 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068135024 463097164 /nfs/dbraw/zinc/09/71/64/463097164.db2.gz QOVBVRUHBGXANW-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000025329789 463119510 /nfs/dbraw/zinc/11/95/10/463119510.db2.gz ANYCAAZAJSVHOA-CQSZACIVSA-N 1 0 349.412 2.454 20 5 EEBDRO Cc1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000078656029 463137330 /nfs/dbraw/zinc/13/73/30/463137330.db2.gz ANRSBQNYIDEKSW-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000026712577 463169968 /nfs/dbraw/zinc/16/99/68/463169968.db2.gz VPTOBFAMNNHWID-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000026712573 463170178 /nfs/dbraw/zinc/17/01/78/463170178.db2.gz DNUGSAADDVNEMV-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000027970891 463212207 /nfs/dbraw/zinc/21/22/07/463212207.db2.gz URLQNAZGXRJENC-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029623187 463265808 /nfs/dbraw/zinc/26/58/08/463265808.db2.gz LBJSUBDORUDPNH-LBPRGKRZSA-N 1 0 341.433 2.285 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cs1 ZINC000069802543 463327085 /nfs/dbraw/zinc/32/70/85/463327085.db2.gz MILKIMGYWFIHOV-ZDUSSCGKSA-N 1 0 325.434 2.201 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCCC1 ZINC000057288842 463475733 /nfs/dbraw/zinc/47/57/33/463475733.db2.gz URBJSQMIKVEYSW-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000043085836 463618909 /nfs/dbraw/zinc/61/89/09/463618909.db2.gz CYDYHXBYAJUJMQ-NEPJUHHUSA-N 1 0 345.403 2.464 20 5 EEBDRO Cc1nn(C)c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151955180 463621597 /nfs/dbraw/zinc/62/15/97/463621597.db2.gz AYYBRFYOEMDDIA-AWEZNQCLSA-N 1 0 345.403 2.190 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(O)CCCC1 ZINC000152004170 463628826 /nfs/dbraw/zinc/62/88/26/463628826.db2.gz BTGWGSNTBWEBII-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO Nc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000126509451 463642916 /nfs/dbraw/zinc/64/29/16/463642916.db2.gz JURBETSASGQQGT-SWLSCSKDSA-N 1 0 344.415 2.266 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000126608188 463651557 /nfs/dbraw/zinc/65/15/57/463651557.db2.gz GEFSNJBILZYEBG-CJNGLKHVSA-N 1 0 344.415 2.266 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111291467 463674048 /nfs/dbraw/zinc/67/40/48/463674048.db2.gz IPXRZFUAUKGBLP-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044680530 463688771 /nfs/dbraw/zinc/68/87/71/463688771.db2.gz MNUXRSTYKWKJBX-VIFPVBQESA-N 1 0 327.182 2.401 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177577254 463740720 /nfs/dbraw/zinc/74/07/20/463740720.db2.gz VBUSVZPJBMAZOT-OLZOCXBDSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277010054 463841337 /nfs/dbraw/zinc/84/13/37/463841337.db2.gz LEWVUMJTZLZDJQ-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287294994 463860622 /nfs/dbraw/zinc/86/06/22/463860622.db2.gz UYSUGZNIBLJQLL-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1[N+](=O)[O-] ZINC000269075650 463867715 /nfs/dbraw/zinc/86/77/15/463867715.db2.gz XJYQKFPJBMEERK-IRXDYDNUSA-N 1 0 347.415 2.093 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000261960749 463910803 /nfs/dbraw/zinc/91/08/03/463910803.db2.gz XSCYAJVHZMGPDC-VIFPVBQESA-N 1 0 332.385 2.428 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269274721 463938609 /nfs/dbraw/zinc/93/86/09/463938609.db2.gz OBBJUTLSJVWJIE-LLVKDONJSA-N 1 0 330.182 2.070 20 5 EEBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000194935638 463962045 /nfs/dbraw/zinc/96/20/45/463962045.db2.gz VTYGUPOYGZCQMN-KRWDZBQOSA-N 1 0 335.404 2.475 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000178979732 464029002 /nfs/dbraw/zinc/02/90/02/464029002.db2.gz NCHMIVGNKMYGCJ-SWLSCSKDSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000269771093 464087613 /nfs/dbraw/zinc/08/76/13/464087613.db2.gz BAFNBXHMBKCXOF-SMDDNHRTSA-N 1 0 332.360 2.380 20 5 EEBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000279793732 464148204 /nfs/dbraw/zinc/14/82/04/464148204.db2.gz DOOFIDOFQWVGBO-UHFFFAOYSA-N 1 0 326.356 2.135 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCC2)o1 ZINC000263824258 464206191 /nfs/dbraw/zinc/20/61/91/464206191.db2.gz RMXGIQYLJFUJMA-ZDUSSCGKSA-N 1 0 332.360 2.391 20 5 EEBDRO C[N@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000264206693 464290034 /nfs/dbraw/zinc/29/00/34/464290034.db2.gz FHQCOGDPOPCJSE-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173641985 464299150 /nfs/dbraw/zinc/29/91/50/464299150.db2.gz WJHYJTWQLRNBTA-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292696020 464311006 /nfs/dbraw/zinc/31/10/06/464311006.db2.gz CVUQGPDZZCOKEQ-VIFPVBQESA-N 1 0 333.310 2.428 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000237731823 464370314 /nfs/dbraw/zinc/37/03/14/464370314.db2.gz VHPPDSBLUYHALA-AWEZNQCLSA-N 1 0 346.431 2.211 20 5 EEBDRO CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281213208 464373573 /nfs/dbraw/zinc/37/35/73/464373573.db2.gz BGQLVRDUQQMEOH-BXUZGUMPSA-N 1 0 336.417 2.225 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000237881011 464395555 /nfs/dbraw/zinc/39/55/55/464395555.db2.gz YTHWRDVBFVZEAZ-CQSZACIVSA-N 1 0 346.431 2.396 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000272190811 464512168 /nfs/dbraw/zinc/51/21/68/464512168.db2.gz MIXYRZCDGHENOO-MEDUHNTESA-N 1 0 330.388 2.010 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181887834 464535114 /nfs/dbraw/zinc/53/51/14/464535114.db2.gz QPPBKQNWCLLISU-UHFFFAOYSA-N 1 0 331.319 2.266 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000281754863 464574049 /nfs/dbraw/zinc/57/40/49/464574049.db2.gz RFOPWZRRSSIOOI-RTBURBONSA-N 1 0 342.395 2.442 20 5 EEBDRO CCOC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182246839 464609784 /nfs/dbraw/zinc/60/97/84/464609784.db2.gz GGLVZAUHKZEUGD-GJZGRUSLSA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285631607 464635672 /nfs/dbraw/zinc/63/56/72/464635672.db2.gz KUBACLNVYKLQSQ-XYPHTWIQSA-N 1 0 330.388 2.235 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272519054 464641671 /nfs/dbraw/zinc/64/16/71/464641671.db2.gz HBMSZLFSCLSHLK-OAHLLOKOSA-N 1 0 343.383 2.157 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285668726 464651859 /nfs/dbraw/zinc/65/18/59/464651859.db2.gz FTNPENBLANFLTM-LSDHHAIUSA-N 1 0 346.431 2.116 20 5 EEBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000272541783 464652182 /nfs/dbraw/zinc/65/21/82/464652182.db2.gz NRPUJKPYHDBTDN-XJKSGUPXSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000182699587 464711560 /nfs/dbraw/zinc/71/15/60/464711560.db2.gz AQUQCESQGKZWDA-LBPRGKRZSA-N 1 0 327.344 2.367 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850673 464718418 /nfs/dbraw/zinc/71/84/18/464718418.db2.gz PHRCQEDLPXSCRC-DZGCQCFKSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295150433 464724493 /nfs/dbraw/zinc/72/44/93/464724493.db2.gz MBARYDSFXGIZOI-SECBINFHSA-N 1 0 329.784 2.278 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000295201407 464743333 /nfs/dbraw/zinc/74/33/33/464743333.db2.gz KUEHCUDSJSCBLX-UHFFFAOYSA-N 1 0 329.784 2.137 20 5 EEBDRO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182917284 464758392 /nfs/dbraw/zinc/75/83/92/464758392.db2.gz PJQYBKCNAIVPHK-MLGOLLRUSA-N 1 0 336.388 2.210 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCC[C@@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000286020432 464778105 /nfs/dbraw/zinc/77/81/05/464778105.db2.gz HKEVPBLQVMOVCQ-RISCZKNCSA-N 1 0 339.367 2.203 20 5 EEBDRO C[C@@H](c1ccccc1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266750737 464808842 /nfs/dbraw/zinc/80/88/42/464808842.db2.gz PRYWAFCQXGYRTC-SUMWQHHRSA-N 1 0 330.388 2.378 20 5 EEBDRO CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000286166591 464825804 /nfs/dbraw/zinc/82/58/04/464825804.db2.gz WOJPOEHJMGODSB-OFERSUALSA-N 1 0 326.418 2.205 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000295433855 464831685 /nfs/dbraw/zinc/83/16/85/464831685.db2.gz VDAQEVUJLNYPNS-GFCCVEGCSA-N 1 0 347.415 2.468 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000183331733 464850390 /nfs/dbraw/zinc/85/03/90/464850390.db2.gz LPFMVZDAONJUQU-UHFFFAOYSA-N 1 0 327.388 2.406 20 5 EEBDRO CC(C)c1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000266898524 464862737 /nfs/dbraw/zinc/86/27/37/464862737.db2.gz HNDDPSIQNFKEGO-UHFFFAOYSA-N 1 0 334.380 2.177 20 5 EEBDRO CC[N@H+](CCOCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282846362 464971687 /nfs/dbraw/zinc/97/16/87/464971687.db2.gz VZKMEJXMPSQZIV-UHFFFAOYSA-N 1 0 347.209 2.188 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NCC(F)(F)F ZINC000192755635 464989816 /nfs/dbraw/zinc/98/98/16/464989816.db2.gz FYAXBRAAUBNWSL-GFCCVEGCSA-N 1 0 331.294 2.240 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000286689304 465006457 /nfs/dbraw/zinc/00/64/57/465006457.db2.gz JEDBEADGQSPKFQ-INIZCTEOSA-N 1 0 343.431 2.483 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c([N+](=O)[O-])c1 ZINC000593910038 468429874 /nfs/dbraw/zinc/42/98/74/468429874.db2.gz QDCVTTPTYWXEST-GDBMZVCRSA-N 1 0 346.431 2.352 20 5 EEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000337439273 465371347 /nfs/dbraw/zinc/37/13/47/465371347.db2.gz IXWUUIKEXRFOKP-NVGCLXPQSA-N 1 0 349.387 2.053 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593914595 468431749 /nfs/dbraw/zinc/43/17/49/468431749.db2.gz KSLVRCDSZHFSSL-GUYCJALGSA-N 1 0 333.388 2.195 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593918431 468432232 /nfs/dbraw/zinc/43/22/32/468432232.db2.gz DCZRFMPKJBFJOF-XYPHTWIQSA-N 1 0 347.415 2.404 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000360422029 465565471 /nfs/dbraw/zinc/56/54/71/465565471.db2.gz BOTAEWKHUYJWTH-AWEZNQCLSA-N 1 0 337.420 2.375 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330588524 465718624 /nfs/dbraw/zinc/71/86/24/465718624.db2.gz UJIAVYUGCGFBEY-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350072 465734232 /nfs/dbraw/zinc/73/42/32/465734232.db2.gz PIVDPROPVSYCKZ-CVEARBPZSA-N 1 0 332.448 2.365 20 5 EEBDRO COc1ccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107996 465769473 /nfs/dbraw/zinc/76/94/73/465769473.db2.gz BOSGBIYZSPSFLR-GUYCJALGSA-N 1 0 336.388 2.373 20 5 EEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371461451 465811100 /nfs/dbraw/zinc/81/11/00/465811100.db2.gz XYLLQQJICQJETG-ZWKOTPCHSA-N 1 0 344.415 2.459 20 5 EEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000362543730 465818496 /nfs/dbraw/zinc/81/84/96/465818496.db2.gz VYZTXJLXDYGFMP-SUMWQHHRSA-N 1 0 346.431 2.391 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000340213851 465883969 /nfs/dbraw/zinc/88/39/69/465883969.db2.gz WFRAGVJTSXIMSQ-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000362646385 465908119 /nfs/dbraw/zinc/90/81/19/465908119.db2.gz YOHUGWBCAQDXLS-AWEZNQCLSA-N 1 0 335.404 2.068 20 5 EEBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000345990186 465921532 /nfs/dbraw/zinc/92/15/32/465921532.db2.gz IWHUSTWZWJFDQR-UHFFFAOYSA-N 1 0 349.435 2.299 20 5 EEBDRO CCOC(=O)c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000371929062 466072684 /nfs/dbraw/zinc/07/26/84/466072684.db2.gz SZDCLZDLNYAGBJ-CQSZACIVSA-N 1 0 333.388 2.446 20 5 EEBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H](C)OC ZINC000361563623 466100740 /nfs/dbraw/zinc/10/07/40/466100740.db2.gz JIHRKRRXDIJATK-LBPRGKRZSA-N 1 0 337.376 2.250 20 5 EEBDRO C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312880 468470929 /nfs/dbraw/zinc/47/09/29/468470929.db2.gz GWXRKGOLWCIJBD-LRDDRELGSA-N 1 0 337.445 2.252 20 5 EEBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302174959 466112766 /nfs/dbraw/zinc/11/27/66/466112766.db2.gz WQJAOVAAUUHFHH-UHFFFAOYSA-N 1 0 327.388 2.486 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCCC1 ZINC000331514895 466118268 /nfs/dbraw/zinc/11/82/68/466118268.db2.gz FGZRNSFOSYNPJA-PWSUYJOCSA-N 1 0 341.458 2.308 20 5 EEBDRO CC1(C)CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302541917 466150778 /nfs/dbraw/zinc/15/07/78/466150778.db2.gz NZRZQFKJRHJDLJ-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000357616889 466181429 /nfs/dbraw/zinc/18/14/29/466181429.db2.gz KDZCOIJEZVIKDC-VXGBXAGGSA-N 1 0 332.187 2.421 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000331657762 466185729 /nfs/dbraw/zinc/18/57/29/466185729.db2.gz MBWNEAGWGYPEFW-UHFFFAOYSA-N 1 0 349.435 2.355 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353843088 466191992 /nfs/dbraw/zinc/19/19/92/466191992.db2.gz LMJIZZNKENWIKO-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027432 466395408 /nfs/dbraw/zinc/39/54/08/466395408.db2.gz RLHQVZPDKSCICX-DZGCQCFKSA-N 1 0 341.433 2.060 20 5 EEBDRO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000347105082 466396491 /nfs/dbraw/zinc/39/64/91/466396491.db2.gz MSGSDVVNTBKRBY-PBWFPOADSA-N 1 0 335.404 2.327 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000307825648 466496012 /nfs/dbraw/zinc/49/60/12/466496012.db2.gz UYPIBOZHJSFJBY-SECBINFHSA-N 1 0 325.674 2.258 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358201240 466535053 /nfs/dbraw/zinc/53/50/53/466535053.db2.gz JPWGPUZKFWLTFF-IRXDYDNUSA-N 1 0 347.415 2.415 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000347289347 466539655 /nfs/dbraw/zinc/53/96/55/466539655.db2.gz QXXQUVJVTCYOMC-UVQBRAAOSA-N 1 0 333.432 2.387 20 5 EEBDRO C[C@@H](C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)CO)c1ccccc1 ZINC000347363042 466591600 /nfs/dbraw/zinc/59/16/00/466591600.db2.gz JKDOWXXIDMRHOG-LSDHHAIUSA-N 1 0 332.404 2.278 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000591685114 468502378 /nfs/dbraw/zinc/50/23/78/468502378.db2.gz QZTHFODWZNRCMT-GXTWGEPZSA-N 1 0 343.387 2.028 20 5 EEBDRO Cn1ccnc1[C@H](NCCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423535580 466769758 /nfs/dbraw/zinc/76/97/58/466769758.db2.gz DKUZJKJEMUTFGR-QGZVFWFLSA-N 1 0 341.415 2.317 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000423706299 466809886 /nfs/dbraw/zinc/80/98/86/466809886.db2.gz QQAPGLUTRBOMJJ-CQSZACIVSA-N 1 0 349.387 2.034 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000370287839 466825328 /nfs/dbraw/zinc/82/53/28/466825328.db2.gz KCMVUJCOXSGPJW-LSDHHAIUSA-N 1 0 333.388 2.237 20 5 EEBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411638761 466862172 /nfs/dbraw/zinc/86/21/72/466862172.db2.gz DZENQIKUFWSLAY-KGLIPLIRSA-N 1 0 335.404 2.406 20 5 EEBDRO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631705 466888065 /nfs/dbraw/zinc/88/80/65/466888065.db2.gz AFULTYGUKFHVCK-GDBMZVCRSA-N 1 0 330.388 2.241 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000411791151 466903658 /nfs/dbraw/zinc/90/36/58/466903658.db2.gz PSEBRRUUVBDNSV-NSHDSACASA-N 1 0 339.392 2.023 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000423985750 466937155 /nfs/dbraw/zinc/93/71/55/466937155.db2.gz VLPXOLJJNMTSRD-HNNXBMFYSA-N 1 0 343.383 2.352 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C[NH3+] ZINC000423994086 466942070 /nfs/dbraw/zinc/94/20/70/466942070.db2.gz HZAZWVQIUZTNBR-NEPJUHHUSA-N 1 0 328.372 2.200 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000412024001 466969672 /nfs/dbraw/zinc/96/96/72/466969672.db2.gz AYEKPGAVBPRDMZ-ZDUSSCGKSA-N 1 0 331.376 2.410 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417989948 467013984 /nfs/dbraw/zinc/01/39/84/467013984.db2.gz UDNFCXOYHYTHDB-BYCMXARLSA-N 1 0 332.404 2.343 20 5 EEBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc21 ZINC000412380117 467077614 /nfs/dbraw/zinc/07/76/14/467077614.db2.gz QGAVCTDRZPMCKW-HNNXBMFYSA-N 1 0 342.355 2.497 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418421673 467108313 /nfs/dbraw/zinc/10/83/13/467108313.db2.gz IEPGNKDEPGISAP-GDBMZVCRSA-N 1 0 334.420 2.296 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000377890104 467160630 /nfs/dbraw/zinc/16/06/30/467160630.db2.gz RVKSQPVQMIAFQR-LBPRGKRZSA-N 1 0 346.387 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CCC[N@H+]3CCCO)c2c1 ZINC000413329622 467217925 /nfs/dbraw/zinc/21/79/25/467217925.db2.gz OKWKCABWLZKMIR-HNNXBMFYSA-N 1 0 330.388 2.402 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476807 467419657 /nfs/dbraw/zinc/41/96/57/467419657.db2.gz YVXRIGWXRSUTLO-ZJUUUORDSA-N 1 0 347.824 2.044 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476806 467419971 /nfs/dbraw/zinc/41/99/71/467419971.db2.gz YVXRIGWXRSUTLO-VHSXEESVSA-N 1 0 347.824 2.044 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415119942 467493892 /nfs/dbraw/zinc/49/38/92/467493892.db2.gz FWHSTOBNKDHXSZ-YJBOKZPZSA-N 1 0 349.431 2.322 20 5 EEBDRO CNc1nc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454321999 467584663 /nfs/dbraw/zinc/58/46/63/467584663.db2.gz CIANTHGRKHLJEP-LBPRGKRZSA-N 1 0 335.408 2.026 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000448593675 467595077 /nfs/dbraw/zinc/59/50/77/467595077.db2.gz DBMAVFCUQWAZBV-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000448625646 467596924 /nfs/dbraw/zinc/59/69/24/467596924.db2.gz QKLZYFKTBJJCML-UHFFFAOYSA-N 1 0 345.399 2.301 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457933331 467733909 /nfs/dbraw/zinc/73/39/09/467733909.db2.gz DMDNVABQUNTDNP-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1C[NH+](C)C ZINC000458284704 467803472 /nfs/dbraw/zinc/80/34/72/467803472.db2.gz NKMKDXUPYDAPND-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494204373 468036786 /nfs/dbraw/zinc/03/67/86/468036786.db2.gz JDKCRBGFWMHULT-BDJLRTHQSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000516943393 468057815 /nfs/dbraw/zinc/05/78/15/468057815.db2.gz YJVDXFCBSYNLPM-UWVGGRQHSA-N 1 0 329.360 2.281 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000565483208 468132019 /nfs/dbraw/zinc/13/20/19/468132019.db2.gz TVEXXQBXOWUTIX-KBPBESRZSA-N 1 0 337.423 2.397 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000567876037 468229679 /nfs/dbraw/zinc/22/96/79/468229679.db2.gz HCMDCHUPTCLYLR-NVXWUHKLSA-N 1 0 346.431 2.448 20 5 EEBDRO CN(C)C(=O)c1ccccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000520203949 468233371 /nfs/dbraw/zinc/23/33/71/468233371.db2.gz UQQUVAMZSPGEND-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567926515 468239398 /nfs/dbraw/zinc/23/93/98/468239398.db2.gz JVZHQMHYXUVORH-YUMQZZPRSA-N 1 0 347.318 2.060 20 5 EEBDRO CC(C)([NH3+])CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591934094 468575342 /nfs/dbraw/zinc/57/53/42/468575342.db2.gz HVRWCMRLESKSPE-UHFFFAOYSA-N 1 0 348.325 2.269 20 5 EEBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594437361 468587185 /nfs/dbraw/zinc/58/71/85/468587185.db2.gz VQPGPZHSPRATSQ-WMZOPIPTSA-N 1 0 329.400 2.476 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582831779 468601572 /nfs/dbraw/zinc/60/15/72/468601572.db2.gz GSEJFRNJCIUCQV-IXDOHACOSA-N 1 0 329.400 2.395 20 5 EEBDRO CCc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000592035212 468602454 /nfs/dbraw/zinc/60/24/54/468602454.db2.gz UFSCCMJXYBDREQ-UHFFFAOYSA-N 1 0 343.449 2.120 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@H]1C(C)C ZINC000600713905 468630265 /nfs/dbraw/zinc/63/02/65/468630265.db2.gz GETIFHLXFYCKJU-INIZCTEOSA-N 1 0 334.420 2.162 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992029 468733177 /nfs/dbraw/zinc/73/31/77/468733177.db2.gz IPQLBRCQOANHSB-WDEREUQCSA-N 1 0 343.811 2.472 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595088961 468756574 /nfs/dbraw/zinc/75/65/74/468756574.db2.gz MUJSTMOWOYXZDF-JSGCOSHPSA-N 1 0 335.404 2.310 20 5 EEBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598222054 468798251 /nfs/dbraw/zinc/79/82/51/468798251.db2.gz ZHONKAGBVZKJGR-LBPRGKRZSA-N 1 0 332.404 2.314 20 5 EEBDRO CCCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829784 468799096 /nfs/dbraw/zinc/79/90/96/468799096.db2.gz YSMOZJBVXDANOQ-CQSZACIVSA-N 1 0 335.404 2.468 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000571533986 468803418 /nfs/dbraw/zinc/80/34/18/468803418.db2.gz BMECQTBYVGSEAH-OAHLLOKOSA-N 1 0 348.403 2.313 20 5 EEBDRO COc1cccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000571846696 468847335 /nfs/dbraw/zinc/84/73/35/468847335.db2.gz MXGJZRMWCPDIDK-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595484363 468872114 /nfs/dbraw/zinc/87/21/14/468872114.db2.gz ZOEMHMJLBGVPHY-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1C ZINC000593188753 468899027 /nfs/dbraw/zinc/89/90/27/468899027.db2.gz PDBKPBVOKNKYHE-MJBXVCDLSA-N 1 0 344.415 2.489 20 5 EEBDRO Cc1cc(OCC(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593189630 468899926 /nfs/dbraw/zinc/89/99/26/468899926.db2.gz WIDGPJAWPMUYFS-HZSPNIEDSA-N 1 0 335.404 2.222 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562085 468914369 /nfs/dbraw/zinc/91/43/69/468914369.db2.gz SSHRHGVCYBDZQN-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595674535 468949165 /nfs/dbraw/zinc/94/91/65/468949165.db2.gz LDYOUVAVFIVRNL-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595678117 468951164 /nfs/dbraw/zinc/95/11/64/468951164.db2.gz QXANLEITYIDAMK-ZFWWWQNUSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CCO ZINC000595695885 468958606 /nfs/dbraw/zinc/95/86/06/468958606.db2.gz IXFGTCMNNZKWNQ-LRDDRELGSA-N 1 0 336.388 2.444 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000598716850 468972375 /nfs/dbraw/zinc/97/23/75/468972375.db2.gz TXWOUSTVHUSBCX-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000610575759 469007306 /nfs/dbraw/zinc/00/73/06/469007306.db2.gz MJNKJJUDELHETB-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595806021 469020834 /nfs/dbraw/zinc/02/08/34/469020834.db2.gz DLVMRWFLEVWADE-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO O=C1CCCC12CC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595806980 469022034 /nfs/dbraw/zinc/02/20/34/469022034.db2.gz NWNLDCPIRUNGEB-OAHLLOKOSA-N 1 0 348.399 2.170 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595876387 469059363 /nfs/dbraw/zinc/05/93/63/469059363.db2.gz SRYLQAKKILRXQB-CXAGYDPISA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000602790590 469075809 /nfs/dbraw/zinc/07/58/09/469075809.db2.gz LYXHEPRYUGYDOY-QGZVFWFLSA-N 1 0 344.415 2.472 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000602797656 469082592 /nfs/dbraw/zinc/08/25/92/469082592.db2.gz NPEUSLGDMKTSKT-HOCLYGCPSA-N 1 0 333.436 2.048 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593729680 469112707 /nfs/dbraw/zinc/11/27/07/469112707.db2.gz IFZCAUPRTLYTLK-KRWDZBQOSA-N 1 0 335.379 2.221 20 5 EEBDRO CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)F ZINC000599093967 469118170 /nfs/dbraw/zinc/11/81/70/469118170.db2.gz CFPHPJDIFIRWQJ-NEPJUHHUSA-N 1 0 331.367 2.062 20 5 EEBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000562999736 469130232 /nfs/dbraw/zinc/13/02/32/469130232.db2.gz DOXOLCPFBAWVHF-MRXNPFEDSA-N 1 0 331.372 2.136 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000588365274 469143543 /nfs/dbraw/zinc/14/35/43/469143543.db2.gz LQEOACBVJNLZBS-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000611147029 469173783 /nfs/dbraw/zinc/17/37/83/469173783.db2.gz KKVYEKQWEBZQFE-CYBMUJFWSA-N 1 0 334.420 2.167 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602953309 469187387 /nfs/dbraw/zinc/18/73/87/469187387.db2.gz AAYTUPCPSDAPDJ-UHFFFAOYSA-N 1 0 335.408 2.058 20 5 EEBDRO COCCNC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515125 469268912 /nfs/dbraw/zinc/26/89/12/469268912.db2.gz HSZNDFJANANVRC-CQSZACIVSA-N 1 0 349.431 2.439 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599477402 469269827 /nfs/dbraw/zinc/26/98/27/469269827.db2.gz HPHQCTPNQYJSCY-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602490369 469337688 /nfs/dbraw/zinc/33/76/88/469337688.db2.gz UHAQECBDTXCZQD-CYBMUJFWSA-N 1 0 342.193 2.168 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)cn1 ZINC000602514031 469345409 /nfs/dbraw/zinc/34/54/09/469345409.db2.gz KJOZIPGJORJQMV-SJORKVTESA-N 1 0 345.447 2.175 20 5 EEBDRO COC(=O)COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602559165 469361004 /nfs/dbraw/zinc/36/10/04/469361004.db2.gz UQAOCVNGNRFXIK-UHFFFAOYSA-N 1 0 344.367 2.479 20 5 EEBDRO CCCN(CC)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563891 469362970 /nfs/dbraw/zinc/36/29/70/469362970.db2.gz HOZRYVSDKZHKJO-UHFFFAOYSA-N 1 0 335.452 2.280 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@@H](CO)CC3)CC2)cn1 ZINC000602568759 469364846 /nfs/dbraw/zinc/36/48/46/469364846.db2.gz LWPVKNFURWPPBN-OKILXGFUSA-N 1 0 334.420 2.099 20 5 EEBDRO Cc1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000603840138 469435523 /nfs/dbraw/zinc/43/55/23/469435523.db2.gz ITBVBAWKFLHYRJ-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388425 469700633 /nfs/dbraw/zinc/70/06/33/469700633.db2.gz ABVDEMWEDBKVNH-BBRMVZONSA-N 1 0 343.383 2.288 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000609016480 469888795 /nfs/dbraw/zinc/88/87/95/469888795.db2.gz FHFNOVBEKIPMLD-KGLIPLIRSA-N 1 0 349.431 2.383 20 5 EEBDRO CC(C)(C)C[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000609317314 469916417 /nfs/dbraw/zinc/91/64/17/469916417.db2.gz UETKOPWCCFFXEM-UHFFFAOYSA-N 1 0 334.376 2.485 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000178660084 533900390 /nfs/dbraw/zinc/90/03/90/533900390.db2.gz QUCCUIKLDKVCQI-IUODEOHRSA-N 1 0 343.387 2.093 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000190169286 534307076 /nfs/dbraw/zinc/30/70/76/534307076.db2.gz TTXARHCKRVKVDN-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000160030113 528247123 /nfs/dbraw/zinc/24/71/23/528247123.db2.gz FMMTVCKQTWCRIK-NSHDSACASA-N 1 0 337.405 2.192 20 5 EEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191651924 528622069 /nfs/dbraw/zinc/62/20/69/528622069.db2.gz VNJPNTLPCYVYRQ-KRWDZBQOSA-N 1 0 335.404 2.406 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236806952 534937153 /nfs/dbraw/zinc/93/71/53/534937153.db2.gz NDONABDBCFDQNO-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419104 535987279 /nfs/dbraw/zinc/98/72/79/535987279.db2.gz NDXGFZIPFASGCD-ZACQAIPSSA-N 1 0 347.415 2.183 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000456352010 536133847 /nfs/dbraw/zinc/13/38/47/536133847.db2.gz MXWPPHMINDWRGZ-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO CNc1nc(C(=O)N2CC[N@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000455821372 536422813 /nfs/dbraw/zinc/42/28/13/536422813.db2.gz KWGNYLGVDXAGMG-UHFFFAOYSA-N 1 0 347.419 2.122 20 5 EEBDRO COc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000423606814 537080665 /nfs/dbraw/zinc/08/06/65/537080665.db2.gz IKCKPASAXCRKAY-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771793193 577230185 /nfs/dbraw/zinc/23/01/85/577230185.db2.gz IXNQWMYOTRTJRD-LLVKDONJSA-N 1 0 329.784 2.183 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000765290016 577498667 /nfs/dbraw/zinc/49/86/67/577498667.db2.gz GAWLQFNZEWBIAD-ZDUSSCGKSA-N 1 0 333.310 2.076 20 5 EEBDRO COc1cc(OCC(=O)OCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000770359105 577594536 /nfs/dbraw/zinc/59/45/36/577594536.db2.gz PBFNBRFAVGTXQT-UHFFFAOYSA-N 1 0 338.360 2.011 20 5 EEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169953 577821100 /nfs/dbraw/zinc/82/11/00/577821100.db2.gz PBUPZDPZXDXZJP-XPTSAGLGSA-N 1 0 327.768 2.344 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+](C)C)cc1OC ZINC000750536418 577994582 /nfs/dbraw/zinc/99/45/82/577994582.db2.gz DOISQTMSIWCRIQ-UHFFFAOYSA-N 1 0 326.349 2.111 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724990 578123068 /nfs/dbraw/zinc/12/30/68/578123068.db2.gz PIGWXGPRSLHUEO-KOLCDFICSA-N 1 0 336.348 2.024 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821599428 599061473 /nfs/dbraw/zinc/06/14/73/599061473.db2.gz TYGBTJIEIOVRIQ-GFCCVEGCSA-N 1 0 345.407 2.086 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064093 676628802 /nfs/dbraw/zinc/62/88/02/676628802.db2.gz VVJWXTCRRQNALW-CYGHRXIMSA-N 1 0 339.395 2.242 20 5 EEBDRO C[C@@H]1C[C@H]1CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044628 677768323 /nfs/dbraw/zinc/76/83/23/677768323.db2.gz UUTUNJHXAVPOCI-OLZOCXBDSA-N 1 0 347.419 2.124 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000892521552 681519579 /nfs/dbraw/zinc/51/95/79/681519579.db2.gz XRBLSABBDMBPHK-ZDUSSCGKSA-N 1 0 335.404 2.468 20 5 EEBDRO Cc1ccc(CNC(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000892537417 681624613 /nfs/dbraw/zinc/62/46/13/681624613.db2.gz TYPCZACDDLAXBN-UHFFFAOYSA-N 1 0 332.404 2.331 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1=CCCC1 ZINC001025734977 683253708 /nfs/dbraw/zinc/25/37/08/683253708.db2.gz WTZDJOOWAAZDKO-QLPKVWCKSA-N 1 0 327.384 2.252 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020096076 683542726 /nfs/dbraw/zinc/54/27/26/683542726.db2.gz MBMLNLPJWXCGET-SHTZXODSSA-N 1 0 329.356 2.167 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893103558 683769444 /nfs/dbraw/zinc/76/94/44/683769444.db2.gz QKDMCKHRJSXFAA-GFCCVEGCSA-N 1 0 326.784 2.142 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000895280339 684433749 /nfs/dbraw/zinc/43/37/49/684433749.db2.gz RMGXSJJMVBXSDR-ZDUSSCGKSA-N 1 0 326.356 2.341 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125192586 686924816 /nfs/dbraw/zinc/92/48/16/686924816.db2.gz ATHDGMPBJCVPHG-UWVGGRQHSA-N 1 0 347.824 2.105 20 5 EEBDRO CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001059702851 688358343 /nfs/dbraw/zinc/35/83/43/688358343.db2.gz KSEYAKMPSUQWRF-GASCZTMLSA-N 1 0 346.431 2.386 20 5 EEBDRO C[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964503 688718597 /nfs/dbraw/zinc/71/85/97/688718597.db2.gz MLRUGUWQNLLHNF-HZPDHXFCSA-N 1 0 337.464 2.258 20 5 EEBDRO C[N@@H+](Cc1ccccc1F)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964722 688721651 /nfs/dbraw/zinc/72/16/51/688721651.db2.gz WARFVBBVOVULIP-NVXWUHKLSA-N 1 0 349.406 2.161 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000897454845 690561256 /nfs/dbraw/zinc/56/12/56/690561256.db2.gz LNNBORROGWPSPE-CQSZACIVSA-N 1 0 334.420 2.121 20 5 EEBDRO C[NH+](C)CCCC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101442088 1186815269 /nfs/dbraw/zinc/81/52/69/1186815269.db2.gz UTNIGKIBELEQEJ-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1ccc(N(C)CCN(C)C(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001105484648 1188096918 /nfs/dbraw/zinc/09/69/18/1188096918.db2.gz WDCHBWJIPWLNJD-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO Cc1ccc(N(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001105532415 1188152413 /nfs/dbraw/zinc/15/24/13/1188152413.db2.gz ZBSOLBBGJQARIO-UHFFFAOYSA-N 1 0 348.447 2.140 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000843814348 1188618866 /nfs/dbraw/zinc/61/88/66/1188618866.db2.gz FKLAQQWCSXQGRU-OAHLLOKOSA-N 1 0 341.408 2.209 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865568001 1198280331 /nfs/dbraw/zinc/28/03/31/1198280331.db2.gz WGWDMNINAAREBM-LBPRGKRZSA-N 1 0 325.384 2.394 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876784889 1199773032 /nfs/dbraw/zinc/77/30/32/1199773032.db2.gz NGIMOSZQOLOIRJ-INIZCTEOSA-N 1 0 333.432 2.366 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000795077935 1200081707 /nfs/dbraw/zinc/08/17/07/1200081707.db2.gz RJYHZAZFLQYBBR-CQSZACIVSA-N 1 0 337.424 2.175 20 5 EEBDRO Cc1cccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001133179561 1200554162 /nfs/dbraw/zinc/55/41/62/1200554162.db2.gz ZMXRMTOFHSKZOS-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000826077309 1200714848 /nfs/dbraw/zinc/71/48/48/1200714848.db2.gz ZAYUUTVGZQQSTR-QWRGUYRKSA-N 1 0 338.383 2.012 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976830 1200986325 /nfs/dbraw/zinc/98/63/25/1200986325.db2.gz VPDNFPZVNABTRS-BTTYYORXSA-N 1 0 332.404 2.044 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CF)C1 ZINC000880296915 1201450165 /nfs/dbraw/zinc/45/01/65/1201450165.db2.gz GRXYHPOFBZDCSF-LLVKDONJSA-N 1 0 325.340 2.223 20 5 EEBDRO C[N@H+](CCCn1ccnc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130637561 1201989245 /nfs/dbraw/zinc/98/92/45/1201989245.db2.gz KAXQYFRMTSKLBC-UHFFFAOYSA-N 1 0 341.375 2.029 20 5 EEBDRO COc1cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000927699396 1206292413 /nfs/dbraw/zinc/29/24/13/1206292413.db2.gz SOXIFBBILUMKBP-UHFFFAOYSA-N 1 0 344.371 2.303 20 5 EEBDRO CN1CC[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000928555978 1206398784 /nfs/dbraw/zinc/39/87/84/1206398784.db2.gz MDGFGWOISODZFD-CYBMUJFWSA-N 1 0 326.356 2.091 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000930768497 1206581466 /nfs/dbraw/zinc/58/14/66/1206581466.db2.gz HXIYEWMQVPDHAG-GWCFXTLKSA-N 1 0 334.376 2.208 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000931692001 1207442412 /nfs/dbraw/zinc/44/24/12/1207442412.db2.gz HZZBCNOTSQAFRS-MRVPVSSYSA-N 1 0 344.774 2.136 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935581643 1208180447 /nfs/dbraw/zinc/18/04/47/1208180447.db2.gz OGLQXRIQFKPKCF-UHFFFAOYSA-N 1 0 346.790 2.383 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795700439 1214982273 /nfs/dbraw/zinc/98/22/73/1214982273.db2.gz BUOGNMUZHMOTPF-OCCSQVGLSA-N 1 0 346.387 2.019 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796588624 1221450280 /nfs/dbraw/zinc/45/02/80/1221450280.db2.gz VEJNWLLRLQAMFN-HOCLYGCPSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119360032 1229495193 /nfs/dbraw/zinc/49/51/93/1229495193.db2.gz UAZHQAPFTCMLMU-NSHDSACASA-N 1 0 347.462 2.199 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsn1 ZINC001020278862 1229599695 /nfs/dbraw/zinc/59/96/95/1229599695.db2.gz VALQGKHJTITAHS-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccon1 ZINC001001226189 1241861904 /nfs/dbraw/zinc/86/19/04/1241861904.db2.gz FVTUOBKOYMMWIF-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO [NH3+][C@H](CC(F)F)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903896174 1242373710 /nfs/dbraw/zinc/37/37/10/1242373710.db2.gz SVTLAUJBQFTATL-LLVKDONJSA-N 1 0 329.347 2.421 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001097050054 1243624713 /nfs/dbraw/zinc/62/47/13/1243624713.db2.gz BSPHNHRSPMMDTM-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097078627 1243674914 /nfs/dbraw/zinc/67/49/14/1243674914.db2.gz UMTMFCCPYNQMRE-HDJSIYSDSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001101811260 1246207258 /nfs/dbraw/zinc/20/72/58/1246207258.db2.gz RDVVLKDZPMSCFT-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000780714927 1278729634 /nfs/dbraw/zinc/72/96/34/1278729634.db2.gz HKDJUGLCRORUFI-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+]C1CCN(CCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000721843077 1277787509 /nfs/dbraw/zinc/78/75/09/1277787509.db2.gz AKTYIZLEVBCJIV-UHFFFAOYSA-N 1 0 343.225 2.192 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC001187615566 1279592144 /nfs/dbraw/zinc/59/21/44/1279592144.db2.gz NCHSPGKSDFSTRT-WFASDCNBSA-N 1 0 338.383 2.432 20 5 EEBDRO O=C(NCC1(Nc2ccccc2[N+](=O)[O-])CC1)C12CCC[NH+]1CCC2 ZINC001110396963 1279729381 /nfs/dbraw/zinc/72/93/81/1279729381.db2.gz IWOULBIYJLBRSX-UHFFFAOYSA-N 1 0 344.415 2.284 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000855162401 1293094229 /nfs/dbraw/zinc/09/42/29/1293094229.db2.gz XNZUSTZNUHETOD-LBPRGKRZSA-N 1 0 334.420 2.336 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764247 1293910725 /nfs/dbraw/zinc/91/07/25/1293910725.db2.gz NEHLUQSFYJNFLA-LLVKDONJSA-N 1 0 343.330 2.215 20 5 EEBDRO Cc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1[N+](=O)[O-] ZINC001213661732 1296127570 /nfs/dbraw/zinc/12/75/70/1296127570.db2.gz UYGDIBGYJXKGRK-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO CCOCCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222604412 1299719330 /nfs/dbraw/zinc/71/93/30/1299719330.db2.gz BRRNAOGONJCBNZ-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)C23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC001102041008 1300185780 /nfs/dbraw/zinc/18/57/80/1300185780.db2.gz HZPSDQYKCNNFCC-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCCOCCC[N+](C)(C)C)C1 ZINC001224621642 1300673280 /nfs/dbraw/zinc/67/32/80/1300673280.db2.gz YIZVMSHIEVUFSX-OAHLLOKOSA-N 1 0 331.477 2.125 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225746318 1301144341 /nfs/dbraw/zinc/14/43/41/1301144341.db2.gz GSQVUMBVMYUBTC-NSHDSACASA-N 1 0 328.166 2.225 20 5 EEBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733022 1301531752 /nfs/dbraw/zinc/53/17/52/1301531752.db2.gz FBVYCVYNIWWEQS-GXTWGEPZSA-N 1 0 329.360 2.384 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CC1 ZINC001229138777 1302638006 /nfs/dbraw/zinc/63/80/06/1302638006.db2.gz FANRQUQGBHOWRI-UHFFFAOYSA-N 1 0 335.379 2.425 20 5 EEBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001229867807 1302970544 /nfs/dbraw/zinc/97/05/44/1302970544.db2.gz CCUKAGISNZOGGD-JTQLQIEISA-N 1 0 328.345 2.294 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CCC2)ncc1[N+](=O)[O-] ZINC001111815722 1303933548 /nfs/dbraw/zinc/93/35/48/1303933548.db2.gz UZBOYYQVVQQWLM-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO Cc1nn(C[NH+]2CCC([C@H]3CCCO3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000783963990 1304388060 /nfs/dbraw/zinc/38/80/60/1304388060.db2.gz KTMYBGNMCQUTJZ-MRXNPFEDSA-N 1 0 345.403 2.496 20 5 EEBDRO CO[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000840121479 1315300971 /nfs/dbraw/zinc/30/09/71/1315300971.db2.gz ADNQOQANBZBMKF-DOMZBBRYSA-N 1 0 331.376 2.168 20 5 EEBDRO Cc1nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c2ncc([N+](=O)[O-])cc12 ZINC000842639599 1315741710 /nfs/dbraw/zinc/74/17/10/1315741710.db2.gz REFKEERZETZDGI-GFCCVEGCSA-N 1 0 345.403 2.496 20 5 EEBDRO O=c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000842666776 1315750038 /nfs/dbraw/zinc/75/00/38/1315750038.db2.gz GOKOMTQZCKSMLJ-VIFPVBQESA-N 1 0 341.327 2.366 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843067688 1315834072 /nfs/dbraw/zinc/83/40/72/1315834072.db2.gz HBQQDROUNRRHLB-KBXCAEBGSA-N 1 0 348.374 2.208 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000843093975 1315840352 /nfs/dbraw/zinc/84/03/52/1315840352.db2.gz SEYJMEITNSTFLQ-MSOLQXFVSA-N 1 0 330.384 2.212 20 5 EEBDRO C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843191307 1315863992 /nfs/dbraw/zinc/86/39/92/1315863992.db2.gz CZDUUAGBRAYYMQ-VXGBXAGGSA-N 1 0 331.376 2.142 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000843339199 1315893697 /nfs/dbraw/zinc/89/36/97/1315893697.db2.gz YGWUMKHIOSPAQY-SECBINFHSA-N 1 0 329.759 2.046 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346151 1315895666 /nfs/dbraw/zinc/89/56/66/1315895666.db2.gz MGDNOHFKXATMNK-XHDPSFHLSA-N 1 0 338.383 2.264 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000843469318 1315919816 /nfs/dbraw/zinc/91/98/16/1315919816.db2.gz MLAZVZXNJYGTRO-CYBMUJFWSA-N 1 0 343.786 2.386 20 5 EEBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccc([N+](=O)[O-])o4)nc32)CC1 ZINC001250669167 1317287756 /nfs/dbraw/zinc/28/77/56/1317287756.db2.gz HQUORNDHWBWVIN-UHFFFAOYSA-N 1 0 327.344 2.483 20 5 EEBDRO Cc1cc(N[C@@H](C)CN2CC[NH2+]CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001154748577 1317294340 /nfs/dbraw/zinc/29/43/40/1317294340.db2.gz FBTSSTPVPRIOCU-ZDUSSCGKSA-N 1 0 329.404 2.157 20 5 EEBDRO Cc1c(C)c(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001154849239 1317349648 /nfs/dbraw/zinc/34/96/48/1317349648.db2.gz IFONRCOSXYNIDA-UHFFFAOYSA-N 1 0 341.293 2.457 20 5 EEBDRO CCCSCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155152998 1317476351 /nfs/dbraw/zinc/47/63/51/1317476351.db2.gz PFWVTLFBCNAXIG-UHFFFAOYSA-N 1 0 331.463 2.395 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc2[nH]ccc21 ZINC001155384063 1317574596 /nfs/dbraw/zinc/57/45/96/1317574596.db2.gz NRNJNRJOPTWDAU-LBPRGKRZSA-N 1 0 345.403 2.432 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2noc3c2C[NH2+]CC3)c2ccccc21 ZINC001155497812 1317623398 /nfs/dbraw/zinc/62/33/98/1317623398.db2.gz UOEIWMVRARGROG-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155596005 1317665892 /nfs/dbraw/zinc/66/58/92/1317665892.db2.gz GFWQVRILBOBCTL-SJKOYZFVSA-N 1 0 343.387 2.109 20 5 EEBDRO CC(C)Oc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155623776 1317679265 /nfs/dbraw/zinc/67/92/65/1317679265.db2.gz CUSMCHBROYHQID-WBMJQRKESA-N 1 0 336.392 2.100 20 5 EEBDRO CCc1ocnc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156030212 1317840108 /nfs/dbraw/zinc/84/01/08/1317840108.db2.gz YEQSHDHIZPKFBS-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[NH2+]C[C@H]2c2cccs2)c1 ZINC001156111793 1317881919 /nfs/dbraw/zinc/88/19/19/1317881919.db2.gz UQDAYVIAWLCJNB-JTQLQIEISA-N 1 0 340.792 2.094 20 5 EEBDRO CCCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254472633 1318083422 /nfs/dbraw/zinc/08/34/22/1318083422.db2.gz HHYUZBCBPOMIDQ-INIZCTEOSA-N 1 0 334.420 2.197 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NCc1ccco1 ZINC001254535185 1318114528 /nfs/dbraw/zinc/11/45/28/1318114528.db2.gz IBNDPIKFMPAILZ-ZDUSSCGKSA-N 1 0 331.372 2.415 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OC2COC2)n1 ZINC001254544565 1318116993 /nfs/dbraw/zinc/11/69/93/1318116993.db2.gz JZRCVNYVUVPBRJ-CYBMUJFWSA-N 1 0 343.383 2.488 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C(=O)N(C)C)C1 ZINC001254548252 1318118475 /nfs/dbraw/zinc/11/84/75/1318118475.db2.gz MHQGGYHLVIPVIY-ZFWWWQNUSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001254559904 1318120172 /nfs/dbraw/zinc/12/01/72/1318120172.db2.gz OLBJPCGHRVCPHB-ZDUSSCGKSA-N 1 0 345.399 2.045 20 5 EEBDRO CCOc1ccc([C@@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254572002 1318126340 /nfs/dbraw/zinc/12/63/40/1318126340.db2.gz GBYVYSXYAICVCS-DOTOQJQBSA-N 1 0 343.383 2.179 20 5 EEBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596930 1318138452 /nfs/dbraw/zinc/13/84/52/1318138452.db2.gz SMGQJKCFBXMEKJ-KZGIRGLMSA-N 1 0 341.411 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(O)(C(F)(F)F)CC1)C2 ZINC001254601068 1318140157 /nfs/dbraw/zinc/14/01/57/1318140157.db2.gz XVDLUVRNARBDHE-ZDUSSCGKSA-N 1 0 330.306 2.451 20 5 EEBDRO CCc1cc(-n2ccc(CC[NH3+])n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156906221 1318277686 /nfs/dbraw/zinc/27/76/86/1318277686.db2.gz ZHEJAMZBIYPOAY-UHFFFAOYSA-N 1 0 338.371 2.301 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087308 1318644592 /nfs/dbraw/zinc/64/45/92/1318644592.db2.gz VZXPDSMLFBKQIU-WJYNOGRTSA-N 1 0 335.404 2.075 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]CC[C@H]2F)c2ncnc(Cl)c2c1 ZINC001157451843 1318648036 /nfs/dbraw/zinc/64/80/36/1318648036.db2.gz PUSJDZWVNONMCU-KOLCDFICSA-N 1 0 325.731 2.303 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3nccc4ccc([N+](=O)[O-])cc43)n2)c1 ZINC001158043130 1318982363 /nfs/dbraw/zinc/98/23/63/1318982363.db2.gz PLWDMIGKYSSASW-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COc1cc(N(c2cc([N+](=O)[O-])ccn2)C2CC[NH2+]CC2)ccn1 ZINC001158325181 1319176535 /nfs/dbraw/zinc/17/65/35/1319176535.db2.gz MOLMCSCIQXFSMI-UHFFFAOYSA-N 1 0 329.360 2.284 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1ccc([C@H](C)[NH3+])n1 ZINC001158347956 1319190015 /nfs/dbraw/zinc/19/00/15/1319190015.db2.gz ASKQSMOJXQYEID-ZETCQYMHSA-N 1 0 339.739 2.025 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC[N@@H+]4CC[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001158435264 1319238037 /nfs/dbraw/zinc/23/80/37/1319238037.db2.gz XHHDQGHLOOURHO-CQSZACIVSA-N 1 0 325.372 2.255 20 5 EEBDRO Nc1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)ncc1[N+](=O)[O-] ZINC001159020039 1319560187 /nfs/dbraw/zinc/56/01/87/1319560187.db2.gz OYJWFGGXXSXMGI-UHFFFAOYSA-N 1 0 339.399 2.213 20 5 EEBDRO O=[N+]([O-])c1ccc(Nc2nccnc2N2CC[NH2+]CC2)c(Cl)c1 ZINC001159177239 1319659990 /nfs/dbraw/zinc/65/99/90/1319659990.db2.gz XONACSBZZFWNKQ-UHFFFAOYSA-N 1 0 334.767 2.191 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098197 1320069730 /nfs/dbraw/zinc/06/97/30/1320069730.db2.gz WSLFNNFGFBZEOM-IAGOWNOFSA-N 1 0 347.390 2.129 20 5 EEBDRO Cc1cc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001160106887 1320071487 /nfs/dbraw/zinc/07/14/87/1320071487.db2.gz GJYZSAGUINZLCE-HZPDHXFCSA-N 1 0 349.456 2.360 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnc(C2CC2)o1 ZINC001160167600 1320088606 /nfs/dbraw/zinc/08/86/06/1320088606.db2.gz XRCOAXVDNBAZGM-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)nc21 ZINC001160726366 1320249910 /nfs/dbraw/zinc/24/99/10/1320249910.db2.gz SFODYGSPCMCRRD-YPMHNXCESA-N 1 0 331.376 2.136 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)ccc21 ZINC001161465035 1320508552 /nfs/dbraw/zinc/50/85/52/1320508552.db2.gz WZNDEBOPKGXUST-CQSZACIVSA-N 1 0 341.415 2.381 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162036029 1320728263 /nfs/dbraw/zinc/72/82/63/1320728263.db2.gz FWZKNBOXAZSBTC-UHFFFAOYSA-N 1 0 331.351 2.257 20 5 EEBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001162220198 1320787345 /nfs/dbraw/zinc/78/73/45/1320787345.db2.gz RLSWIEFLBHWFKU-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO CCOC(=O)c1cnc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001162453844 1320860091 /nfs/dbraw/zinc/86/00/91/1320860091.db2.gz MCYSRQXBCDGGBL-NWDGAFQWSA-N 1 0 336.392 2.214 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162481439 1320870724 /nfs/dbraw/zinc/87/07/24/1320870724.db2.gz QZYYCMHBHLXHRX-YUMQZZPRSA-N 1 0 331.731 2.147 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001162727368 1320942304 /nfs/dbraw/zinc/94/23/04/1320942304.db2.gz ZQHYNLUKJRHBDM-ZDUSSCGKSA-N 1 0 349.391 2.014 20 5 EEBDRO c1ccc2cc3c(cc2c1)ncnc3NCc1nnc2n1CCC[NH2+]C2 ZINC001163017338 1321015511 /nfs/dbraw/zinc/01/55/11/1321015511.db2.gz UZNJFYRIGRAJIG-UHFFFAOYSA-N 1 0 345.410 2.480 20 5 EEBDRO NC1=CC=C(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163128829 1321045060 /nfs/dbraw/zinc/04/50/60/1321045060.db2.gz CMMWVKLHSXGAJB-UHFFFAOYSA-N 1 0 335.795 2.189 20 5 EEBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278888 1321086571 /nfs/dbraw/zinc/08/65/71/1321086571.db2.gz LCBIGURPGVGCDF-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001163461069 1321131200 /nfs/dbraw/zinc/13/12/00/1321131200.db2.gz CCYCCUUXBWVRAK-GFCCVEGCSA-N 1 0 334.307 2.027 20 5 EEBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001163461003 1321131350 /nfs/dbraw/zinc/13/13/50/1321131350.db2.gz ARUKRAULXMPQJG-ZDUSSCGKSA-N 1 0 334.307 2.027 20 5 EEBDRO Cc1c(C)n(-c2ccc([N+](=O)[O-])c(C(N)=O)n2)c2ccc(C[NH3+])cc12 ZINC001163755309 1321209872 /nfs/dbraw/zinc/20/98/72/1321209872.db2.gz AHZTYBNXTCPKNQ-UHFFFAOYSA-N 1 0 339.355 2.108 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203924547 1321991080 /nfs/dbraw/zinc/99/10/80/1321991080.db2.gz CEYRPYTZXWJFQV-UHFFFAOYSA-N 1 0 348.447 2.016 20 5 EEBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC001307890827 1331553878 /nfs/dbraw/zinc/55/38/78/1331553878.db2.gz NIYWTOXIMGSSML-LBPRGKRZSA-N 1 0 330.344 2.094 20 5 EEBDRO Cn1cncc1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308166185 1331569728 /nfs/dbraw/zinc/56/97/28/1331569728.db2.gz IBQOGENDWJVOQV-KRWDZBQOSA-N 1 0 330.388 2.241 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC001320220612 1332850085 /nfs/dbraw/zinc/85/00/85/1332850085.db2.gz FBZDVDMPLPDXOF-UHFFFAOYSA-N 1 0 349.416 2.156 20 5 EEBDRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001609266323 1351915381 /nfs/dbraw/zinc/91/53/81/1351915381.db2.gz ZIVVVTGPWLGDSD-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001328221902 1334417861 /nfs/dbraw/zinc/41/78/61/1334417861.db2.gz VTLHRNNNKBWSRU-JTQLQIEISA-N 1 0 334.401 2.446 20 5 EEBDRO CC1(C)[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[NH2+][C@H]21 ZINC001331362368 1335002633 /nfs/dbraw/zinc/00/26/33/1335002633.db2.gz WTUORQJSYDKCIE-JCURWCKSSA-N 1 0 347.415 2.257 20 5 EEBDRO CC(C)([NH3+])CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001332055772 1335715655 /nfs/dbraw/zinc/71/56/55/1335715655.db2.gz VAQCYVAYURTHPV-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCOCC2CCOCC2)cc1 ZINC001335396985 1336370727 /nfs/dbraw/zinc/37/07/27/1336370727.db2.gz BATPISBTZSQYOK-KRWDZBQOSA-N 1 0 338.404 2.051 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001335569868 1336396248 /nfs/dbraw/zinc/39/62/48/1336396248.db2.gz WZVJFFMYTORVMF-UQOMUDLDSA-N 1 0 332.404 2.343 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001337479734 1336707267 /nfs/dbraw/zinc/70/72/67/1336707267.db2.gz JXYURVJIRZIUIQ-LLVKDONJSA-N 1 0 338.383 2.014 20 5 EEBDRO COc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001337914932 1336753589 /nfs/dbraw/zinc/75/35/89/1336753589.db2.gz BWENJTAYYPOTBH-LBPRGKRZSA-N 1 0 330.344 2.463 20 5 EEBDRO COc1cccc(N2CCC([NH2+]C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001338422426 1336859015 /nfs/dbraw/zinc/85/90/15/1336859015.db2.gz MSTYLVPUSKCCAS-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001341799155 1337299604 /nfs/dbraw/zinc/29/96/04/1337299604.db2.gz TXNOCNDVXKHAQT-UTUOFQBUSA-N 1 0 331.294 2.094 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001345717866 1337462378 /nfs/dbraw/zinc/46/23/78/1337462378.db2.gz CQGWTOOBNABNQF-KBPBESRZSA-N 1 0 334.376 2.352 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001100707138 1338668969 /nfs/dbraw/zinc/66/89/69/1338668969.db2.gz PNRRUAZTFKGIGU-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001575107834 1343737528 /nfs/dbraw/zinc/73/75/28/1343737528.db2.gz KHZDCRFCCYPWAK-ZDUSSCGKSA-N 1 0 330.388 2.433 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC12CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])CC2 ZINC001575521065 1343816784 /nfs/dbraw/zinc/81/67/84/1343816784.db2.gz PXGPHIIRDMLWMM-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001577172134 1344098637 /nfs/dbraw/zinc/09/86/37/1344098637.db2.gz LUHFFOZOINBBEN-KCJUWKMLSA-N 1 0 337.273 2.452 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c1 ZINC001579242497 1344357929 /nfs/dbraw/zinc/35/79/29/1344357929.db2.gz PUNJLAWPRMSLMX-SJKOYZFVSA-N 1 0 333.388 2.195 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001579499475 1344389926 /nfs/dbraw/zinc/38/99/26/1344389926.db2.gz SANPHGWTJWFOFS-LDYMZIIASA-N 1 0 329.303 2.067 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC001580419739 1344518315 /nfs/dbraw/zinc/51/83/15/1344518315.db2.gz KDTQNFYCWPVWFN-MGCOHNPYSA-N 1 0 329.303 2.196 20 5 EEBDRO CC(C)[N@H+](C)CCCNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589679016 1349020920 /nfs/dbraw/zinc/02/09/20/1349020920.db2.gz WNFFKSCSTRVADJ-UHFFFAOYSA-N 1 0 337.359 2.056 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001589714807 1349023509 /nfs/dbraw/zinc/02/35/09/1349023509.db2.gz LRLXHUHGZLCQJJ-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590512047 1349362653 /nfs/dbraw/zinc/36/26/53/1349362653.db2.gz BZIRGGSCLSEYAV-CYBMUJFWSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001591969666 1349571168 /nfs/dbraw/zinc/57/11/68/1349571168.db2.gz YLYJGDXQHJYERQ-UHFFFAOYSA-N 1 0 338.371 2.416 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCC[NH+]1CCCCC1 ZINC001593479909 1349812990 /nfs/dbraw/zinc/81/29/90/1349812990.db2.gz CGIYODOBGVWGDT-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605722848 1351218321 /nfs/dbraw/zinc/21/83/21/1351218321.db2.gz COVCLEXSBKLKOC-JSGCOSHPSA-N 1 0 343.391 2.122 20 5 EEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000852288159 1369258325 /nfs/dbraw/zinc/25/83/25/1369258325.db2.gz SFZNHEJBBNOCKP-QZTJIDSGSA-N 1 0 330.384 2.164 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777995485 1369891072 /nfs/dbraw/zinc/89/10/72/1369891072.db2.gz PNHODXXZJGGGEA-UHFFFAOYSA-N 1 0 347.412 2.053 20 5 EEBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092307 1371273692 /nfs/dbraw/zinc/27/36/92/1371273692.db2.gz UGULNNOYZWEEES-YVEFUNNKSA-N 1 0 332.356 2.172 20 5 EEBDRO C[C@H](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000829127583 1372269598 /nfs/dbraw/zinc/26/95/98/1372269598.db2.gz YFIRAJMJGQKRRJ-CJNGLKHVSA-N 1 0 335.404 2.009 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000839544271 1372909688 /nfs/dbraw/zinc/90/96/88/1372909688.db2.gz QTRGKCGUCCKSKQ-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341895212 1372935796 /nfs/dbraw/zinc/93/57/96/1372935796.db2.gz ZZZFJERMNHYNDP-BMFZPTHFSA-N 1 0 329.400 2.489 20 5 EEBDRO CC1(C)[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001576381726 1403568677 /nfs/dbraw/zinc/56/86/77/1403568677.db2.gz FHXWKFHRUOKYNC-QWHCGFSZSA-N 1 0 341.795 2.259 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001577887143 1403691552 /nfs/dbraw/zinc/69/15/52/1403691552.db2.gz NUKSSNCHCDVRMF-GFCCVEGCSA-N 1 0 328.372 2.385 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)cnc2c1 ZINC001164768973 721282642 /nfs/dbraw/zinc/28/26/42/721282642.db2.gz MDWGDDOXUNGTBB-UHFFFAOYSA-N 1 0 339.399 2.460 20 5 EEBDRO CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001106979853 782761617 /nfs/dbraw/zinc/76/16/17/782761617.db2.gz YJQMQRMKGLZPBR-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000237666591 774104275 /nfs/dbraw/zinc/10/42/75/774104275.db2.gz RVDZEQDKGORNAG-UHFFFAOYSA-N 1 0 334.420 2.483 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000893603208 774534905 /nfs/dbraw/zinc/53/49/05/774534905.db2.gz VHFJNTIMLAPKOZ-LLVKDONJSA-N 1 0 340.811 2.389 20 5 EEBDRO [NH3+][C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000238056094 774612335 /nfs/dbraw/zinc/61/23/35/774612335.db2.gz UAYYMZNVQPAYOU-LBPRGKRZSA-N 1 0 332.385 2.185 20 5 EEBDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000846933180 790736745 /nfs/dbraw/zinc/73/67/45/790736745.db2.gz WDCUIAAAMYHGCW-IRXDYDNUSA-N 1 0 344.415 2.487 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819141685 785419932 /nfs/dbraw/zinc/41/99/32/785419932.db2.gz VOMNLZOMMOWIKR-MALQSCRYSA-N 1 0 340.445 2.298 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819141688 785419981 /nfs/dbraw/zinc/41/99/81/785419981.db2.gz VOMNLZOMMOWIKR-PQUWFTINSA-N 1 0 340.445 2.298 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173226 785447551 /nfs/dbraw/zinc/44/75/51/785447551.db2.gz KZCSJGNLOGXXFL-RHSMWYFYSA-N 1 0 347.415 2.151 20 5 EEBDRO COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819201828 785459507 /nfs/dbraw/zinc/45/95/07/785459507.db2.gz WJXUHVREMZIWRV-PBHICJAKSA-N 1 0 344.367 2.230 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107204044 786394020 /nfs/dbraw/zinc/39/40/20/786394020.db2.gz HZHJTQMRFDODJI-VOTSOKGWSA-N 1 0 334.420 2.329 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1nc(C)ccc1[N+](=O)[O-] ZINC001107391655 787105714 /nfs/dbraw/zinc/10/57/14/787105714.db2.gz LACZFUYRCHCKCB-FPLPWBNLSA-N 1 0 349.435 2.113 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000911707999 787668461 /nfs/dbraw/zinc/66/84/61/787668461.db2.gz RUELQNYUQMZDEE-NSHDSACASA-N 1 0 325.796 2.378 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000911920420 787807475 /nfs/dbraw/zinc/80/74/75/787807475.db2.gz IAPHHBCGRCGZTL-UHFFFAOYSA-N 1 0 340.811 2.388 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825035872 788408132 /nfs/dbraw/zinc/40/81/32/788408132.db2.gz UKDLACCFGSVUDA-SJORKVTESA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923438954 789562627 /nfs/dbraw/zinc/56/26/27/789562627.db2.gz BWWGNKRXDVXHSL-DCAQKATOSA-N 1 0 340.811 2.257 20 5 EEBDRO C[C@@H](CN1CCOCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000045959801 789800959 /nfs/dbraw/zinc/80/09/59/789800959.db2.gz HTNQDVBEFZQQIM-JTQLQIEISA-N 1 0 342.783 2.090 20 5 EEBDRO CC(=O)Nc1cc(NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1Br ZINC001171195072 789890763 /nfs/dbraw/zinc/89/07/63/789890763.db2.gz UOCDIYVQROBAIE-UHFFFAOYSA-N 1 0 345.197 2.465 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[NH+](C2CCCC2)CC1 ZINC000129757920 789907691 /nfs/dbraw/zinc/90/76/91/789907691.db2.gz WCSQKLMIQREFPY-UHFFFAOYSA-N 1 0 346.387 2.020 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC001127235388 792817902 /nfs/dbraw/zinc/81/79/02/792817902.db2.gz PMHMTUVXTDMZQK-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001093994885 795844200 /nfs/dbraw/zinc/84/42/00/795844200.db2.gz SXTMIPPDBIJJRQ-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO Cc1ccc(NCCNC(=O)C23CCC[NH+](CCC2)C3)c([N+](=O)[O-])c1 ZINC001094223658 796005967 /nfs/dbraw/zinc/00/59/67/796005967.db2.gz UGHDIQCFSPZVIW-UHFFFAOYSA-N 1 0 346.431 2.307 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cn(C)cn2)c1F ZINC001173175086 797276405 /nfs/dbraw/zinc/27/64/05/797276405.db2.gz KIOAPPGCBVXZAF-LLVKDONJSA-N 1 0 336.367 2.239 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001173228898 797311187 /nfs/dbraw/zinc/31/11/87/797311187.db2.gz ZYJNSCRXYCTLTF-OWQGQXMQSA-N 1 0 343.427 2.326 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001173237170 797322569 /nfs/dbraw/zinc/32/25/69/797322569.db2.gz IQFLXRHDJSEHGD-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO CCc1noc(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175898058 798273977 /nfs/dbraw/zinc/27/39/77/798273977.db2.gz UJWKFYOOSZMXRB-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO O=C(CCc1cscn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177319610 798858381 /nfs/dbraw/zinc/85/83/81/798858381.db2.gz BOGFCXHGYYAUME-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO C[NH+]1CCC(CC(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001110232091 800107712 /nfs/dbraw/zinc/10/77/12/800107712.db2.gz BBHORKHHTCRIBJ-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CS[C@H]1CCC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000922327798 800601819 /nfs/dbraw/zinc/60/18/19/800601819.db2.gz HSLJRQJNZVKEBC-SLBVQIDZSA-N 1 0 340.445 2.253 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001086011606 801925554 /nfs/dbraw/zinc/92/55/54/801925554.db2.gz ISSQPHITSGUXSW-FZNQNYSPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001086373718 802848076 /nfs/dbraw/zinc/84/80/76/802848076.db2.gz LLPLYTFJMSNXPY-MJHDQNEOSA-N 1 0 334.401 2.283 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000866977177 802867895 /nfs/dbraw/zinc/86/78/95/802867895.db2.gz NZVACXUOSQNJOQ-HNNXBMFYSA-N 1 0 349.406 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964637 803552216 /nfs/dbraw/zinc/55/22/16/803552216.db2.gz UTQNYFCUTFSYHH-IHRRRGAJSA-N 1 0 327.425 2.278 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1OC ZINC001168998153 803564105 /nfs/dbraw/zinc/56/41/05/803564105.db2.gz IVQPFENTVQLFRA-HUUCEWRRSA-N 1 0 338.404 2.255 20 5 EEBDRO COc1ccc(CC[N@H+](C[C@H](C)O)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169007232 803568471 /nfs/dbraw/zinc/56/84/71/803568471.db2.gz LZKKPCHJQYVHPJ-UAGQMJEPSA-N 1 0 336.432 2.366 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007121 803568641 /nfs/dbraw/zinc/56/86/41/803568641.db2.gz LJAKMVQNWMWQQL-GXTWGEPZSA-N 1 0 327.425 2.421 20 5 EEBDRO O=C1Nc2ccccc2C12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169011303 803570724 /nfs/dbraw/zinc/57/07/24/803570724.db2.gz JPQWFWLRYVKSNL-KBPBESRZSA-N 1 0 329.400 2.418 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011541 803571081 /nfs/dbraw/zinc/57/10/81/803571081.db2.gz KTZWKGBDSJLFPI-MELADBBJSA-N 1 0 327.425 2.373 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)C1 ZINC001168990877 803574304 /nfs/dbraw/zinc/57/43/04/803574304.db2.gz FFXRXJKEZLKRQJ-JKSUJKDBSA-N 1 0 333.432 2.456 20 5 EEBDRO COc1cccc(CN2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036546 803580314 /nfs/dbraw/zinc/58/03/14/803580314.db2.gz GKYYZNHXIMBODB-IRXDYDNUSA-N 1 0 333.432 2.258 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC001169041874 803584127 /nfs/dbraw/zinc/58/41/27/803584127.db2.gz QMCCMAVTSPOXLO-UHFFFAOYSA-N 1 0 326.403 2.023 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169018027 803586607 /nfs/dbraw/zinc/58/66/07/803586607.db2.gz BIOFWDBLZKTWDB-UONOGXRCSA-N 1 0 327.425 2.375 20 5 EEBDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[C@@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169020106 803587546 /nfs/dbraw/zinc/58/75/46/803587546.db2.gz IGMXJVXTQYWZJV-KHMAMNHCSA-N 1 0 336.392 2.118 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001169048439 803594746 /nfs/dbraw/zinc/59/47/46/803594746.db2.gz VHANJWJWZBACNY-CXAGYDPISA-N 1 0 349.406 2.465 20 5 EEBDRO Cc1c(CNC(=S)NCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000790333576 808627159 /nfs/dbraw/zinc/62/71/59/808627159.db2.gz NIFAUQRMSGLXOO-UHFFFAOYSA-N 1 0 336.461 2.209 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000791130891 809066602 /nfs/dbraw/zinc/06/66/02/809066602.db2.gz DNRFWOZCMOFTOE-SNVBAGLBSA-N 1 0 343.786 2.388 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3cccnc3c([N+](=O)[O-])c2)O1 ZINC001170280986 809878121 /nfs/dbraw/zinc/87/81/21/809878121.db2.gz AVAVCYHKROGOCL-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356147 809903532 /nfs/dbraw/zinc/90/35/32/809903532.db2.gz YNWQHGHFWZQBIC-SWLSCSKDSA-N 1 0 348.399 2.419 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncc(Cl)s1 ZINC001131293707 812633247 /nfs/dbraw/zinc/63/32/47/812633247.db2.gz CGJUJWSDFCHMDA-UHFFFAOYSA-N 1 0 346.821 2.286 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001131603784 813006728 /nfs/dbraw/zinc/00/67/28/813006728.db2.gz JJFRXLCSDXBMMP-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000173965177 231084652 /nfs/dbraw/zinc/08/46/52/231084652.db2.gz ITRTVFVGLRUXRG-DOMZBBRYSA-N 1 0 343.387 2.093 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189672688 529431255 /nfs/dbraw/zinc/43/12/55/529431255.db2.gz IUSFPKDQBICPKA-OAHLLOKOSA-N 1 0 341.795 2.424 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171371580 529467052 /nfs/dbraw/zinc/46/70/52/529467052.db2.gz KFJWXZPQTJTVEG-UHFFFAOYSA-N 1 0 337.424 2.122 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186785474 529903311 /nfs/dbraw/zinc/90/33/11/529903311.db2.gz AIYNNVKMGQOIQB-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768489 529934870 /nfs/dbraw/zinc/93/48/70/529934870.db2.gz MJVGUYDIMWTPDL-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000352574483 283186790 /nfs/dbraw/zinc/18/67/90/283186790.db2.gz HRDBWNNBBUCYKN-ZDUSSCGKSA-N 1 0 343.449 2.135 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1([NH+](C)C)CCC1 ZINC000186992248 236089095 /nfs/dbraw/zinc/08/90/95/236089095.db2.gz OBHGPJRPBNDUNG-CYBMUJFWSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072833951 216314096 /nfs/dbraw/zinc/31/40/96/216314096.db2.gz LANVXTPAXVTAOD-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000191363677 239068369 /nfs/dbraw/zinc/06/83/69/239068369.db2.gz HUWXFOMMTLBBAQ-SZMVWBNQSA-N 1 0 344.415 2.153 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420406637 239808194 /nfs/dbraw/zinc/80/81/94/239808194.db2.gz RGYSEEACZKIEEM-TZMCWYRMSA-N 1 0 340.383 2.312 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000193096871 240017770 /nfs/dbraw/zinc/01/77/70/240017770.db2.gz AUPCRMFODQGMAB-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000193449234 240167545 /nfs/dbraw/zinc/16/75/45/240167545.db2.gz YBPKHBWZFFPWIZ-UHFFFAOYSA-N 1 0 348.403 2.034 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193598834 240226188 /nfs/dbraw/zinc/22/61/88/240226188.db2.gz UJRJEZIQOKVQMF-GZMMTYOYSA-N 1 0 342.193 2.228 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000422806798 240234160 /nfs/dbraw/zinc/23/41/60/240234160.db2.gz NSGUGGOVNXMAGW-SNVBAGLBSA-N 1 0 343.836 2.456 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423832583 240658116 /nfs/dbraw/zinc/65/81/16/240658116.db2.gz ACCMPCLJHDBOMS-GXTWGEPZSA-N 1 0 325.796 2.499 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000438573235 242033128 /nfs/dbraw/zinc/03/31/28/242033128.db2.gz XBZZFXLTGJFFFK-CYBMUJFWSA-N 1 0 348.403 2.222 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000133206157 223396540 /nfs/dbraw/zinc/39/65/40/223396540.db2.gz JVNMPINAGLKOCI-NVXWUHKLSA-N 1 0 331.416 2.388 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235677359 242285053 /nfs/dbraw/zinc/28/50/53/242285053.db2.gz VTPPGMZFJWFDPN-KWQFWETISA-N 1 0 342.193 2.228 20 5 EEBDRO CSc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449715931 242612428 /nfs/dbraw/zinc/61/24/28/242612428.db2.gz FLWOTUUKVKXJII-JTQLQIEISA-N 1 0 337.323 2.326 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000449722107 242614123 /nfs/dbraw/zinc/61/41/23/242614123.db2.gz PFOSGDZOEBSUFD-GFCCVEGCSA-N 1 0 346.309 2.179 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451561587 243159735 /nfs/dbraw/zinc/15/97/35/243159735.db2.gz IUSODQVMMMENEN-IUODEOHRSA-N 1 0 349.387 2.250 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451700631 243215126 /nfs/dbraw/zinc/21/51/26/243215126.db2.gz YBOCSNKENDVOPX-RBSFLKMASA-N 1 0 347.415 2.406 20 5 EEBDRO O=C(CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451611403 243177312 /nfs/dbraw/zinc/17/73/12/243177312.db2.gz PHIJYIIBEXBXMC-KSSFIOAISA-N 1 0 347.415 2.310 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247087397 243370239 /nfs/dbraw/zinc/37/02/39/243370239.db2.gz PPAVKGSIQKPIIM-ZFWWWQNUSA-N 1 0 332.404 2.454 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262735393 245152597 /nfs/dbraw/zinc/15/25/97/245152597.db2.gz CKUDBCWLJHEJKF-QWRGUYRKSA-N 1 0 341.795 2.226 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772038 245243511 /nfs/dbraw/zinc/24/35/11/245243511.db2.gz RUCJHARQCLVMER-TUKIKUTGSA-N 1 0 333.388 2.469 20 5 EEBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491687198 246111755 /nfs/dbraw/zinc/11/17/55/246111755.db2.gz UWLIZJBCNIPFHJ-FTWHOSCRSA-N 1 0 333.363 2.442 20 5 EEBDRO Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000264150720 246114620 /nfs/dbraw/zinc/11/46/20/246114620.db2.gz HJGDZPLUJAEIOH-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](C2CCC2)CC1 ZINC000264940382 247067672 /nfs/dbraw/zinc/06/76/72/247067672.db2.gz HISASRBPCHHHOM-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907982 247031869 /nfs/dbraw/zinc/03/18/69/247031869.db2.gz XZKYARMFTXLIDE-AAEUAGOBSA-N 1 0 331.376 2.105 20 5 EEBDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266410008 248286285 /nfs/dbraw/zinc/28/62/85/248286285.db2.gz GISPNORVRPBBIZ-MFKMUULPSA-N 1 0 340.330 2.123 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266367548 248267693 /nfs/dbraw/zinc/26/76/93/248267693.db2.gz LHYXVDSHEAFWAA-CYBMUJFWSA-N 1 0 334.376 2.082 20 5 EEBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1F ZINC000093020091 218185455 /nfs/dbraw/zinc/18/54/55/218185455.db2.gz HRECLFLGBQHTOA-UHFFFAOYSA-N 1 0 347.412 2.003 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000114748860 220744167 /nfs/dbraw/zinc/74/41/67/220744167.db2.gz FBFOAPCPRCHIDH-CABZTGNLSA-N 1 0 331.294 2.409 20 5 EEBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000267098468 256026447 /nfs/dbraw/zinc/02/64/47/256026447.db2.gz LHFPWIMWEYQHRK-UHFFFAOYSA-N 1 0 349.431 2.079 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270484129 256140312 /nfs/dbraw/zinc/14/03/12/256140312.db2.gz IUASDGRARHRSCE-NVXWUHKLSA-N 1 0 346.431 2.406 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841881 221195329 /nfs/dbraw/zinc/19/53/29/221195329.db2.gz YDCODGWJSLUUGB-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000270524873 256144549 /nfs/dbraw/zinc/14/45/49/256144549.db2.gz NJPIZXMBKQFJSK-MRXNPFEDSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273960059 256341088 /nfs/dbraw/zinc/34/10/88/256341088.db2.gz ORPMOWOJMVKPEE-LLVKDONJSA-N 1 0 325.384 2.468 20 5 EEBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265312 256368937 /nfs/dbraw/zinc/36/89/37/256368937.db2.gz YIYFMBCPMTYPIS-WMLDXEAASA-N 1 0 340.420 2.390 20 5 EEBDRO COc1cc(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000274306952 256373008 /nfs/dbraw/zinc/37/30/08/256373008.db2.gz LCJIYOXHVFJKML-HIFRSBDPSA-N 1 0 343.424 2.220 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000119874392 292248969 /nfs/dbraw/zinc/24/89/69/292248969.db2.gz ANNYQLPZANPNQR-CYBMUJFWSA-N 1 0 341.795 2.008 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130350356 292372043 /nfs/dbraw/zinc/37/20/43/292372043.db2.gz FHZQHLOFLGCEHO-UHFFFAOYSA-N 1 0 345.403 2.369 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069805408 159031196 /nfs/dbraw/zinc/03/11/96/159031196.db2.gz CJZJNHHLIDVPNY-INIZCTEOSA-N 1 0 349.431 2.018 20 5 EEBDRO CN(CC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079478231 159132441 /nfs/dbraw/zinc/13/24/41/159132441.db2.gz ZZBYFTSLBFUAFI-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000105493135 159301485 /nfs/dbraw/zinc/30/14/85/159301485.db2.gz KZNGIHPDTQTLDS-OAHLLOKOSA-N 1 0 346.383 2.305 20 5 EEBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000191953772 160164515 /nfs/dbraw/zinc/16/45/15/160164515.db2.gz PHSVYKHIPPBFJQ-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246587878 160285875 /nfs/dbraw/zinc/28/58/75/160285875.db2.gz WOROAJSMFKRHCM-KBRIMQKVSA-N 1 0 330.388 2.030 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCC1 ZINC000342602108 161077354 /nfs/dbraw/zinc/07/73/54/161077354.db2.gz HRUMAOTUVDFZBX-VIFPVBQESA-N 1 0 327.768 2.013 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000342762461 161088359 /nfs/dbraw/zinc/08/83/59/161088359.db2.gz WMLZGNGDTBNQMF-WFASDCNBSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1C ZINC000343572180 161147682 /nfs/dbraw/zinc/14/76/82/161147682.db2.gz VGJGCFHFWXWKRO-RISCZKNCSA-N 1 0 328.372 2.356 20 5 EEBDRO CC[NH+](CC)[C@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345164172 161278013 /nfs/dbraw/zinc/27/80/13/161278013.db2.gz RBDHWDOAAYCOOZ-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345975067 161346683 /nfs/dbraw/zinc/34/66/83/161346683.db2.gz XTKOQMGHZBFTDE-KBPBESRZSA-N 1 0 335.404 2.305 20 5 EEBDRO Cc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000355444927 163192882 /nfs/dbraw/zinc/19/28/82/163192882.db2.gz OUDUSZGKYCURGQ-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[NH+](C)CC1 ZINC000355453517 163195855 /nfs/dbraw/zinc/19/58/55/163195855.db2.gz IWJUSKQVNORQPH-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000355712574 163278599 /nfs/dbraw/zinc/27/85/99/163278599.db2.gz CBUQXLKSVCJDQC-KRWDZBQOSA-N 1 0 328.372 2.039 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736090 163285878 /nfs/dbraw/zinc/28/58/78/163285878.db2.gz WCTMRHSFUMYWTI-GXFFZTMASA-N 1 0 348.334 2.388 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2)c1 ZINC000359750041 164165284 /nfs/dbraw/zinc/16/52/84/164165284.db2.gz XLXIYADTYWPBKR-CALCHBBNSA-N 1 0 328.372 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000364246701 165068550 /nfs/dbraw/zinc/06/85/50/165068550.db2.gz YWHFGVVWUKSKKI-UHFFFAOYSA-N 1 0 336.388 2.245 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365206254 165408892 /nfs/dbraw/zinc/40/88/92/165408892.db2.gz WXGFTBNDWMHSOU-WMLDXEAASA-N 1 0 349.387 2.089 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000368717902 166115526 /nfs/dbraw/zinc/11/55/26/166115526.db2.gz CRUPPYRTPRQMQV-SECBINFHSA-N 1 0 342.193 2.229 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369068968 166183381 /nfs/dbraw/zinc/18/33/81/166183381.db2.gz YFMKNWHEKOPTRU-LBPRGKRZSA-N 1 0 333.388 2.350 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000374871958 167057138 /nfs/dbraw/zinc/05/71/38/167057138.db2.gz CSBPIKMMBQEDHD-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000122658616 222132779 /nfs/dbraw/zinc/13/27/79/222132779.db2.gz NEHCPMNZLIBRDL-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000123080553 222212693 /nfs/dbraw/zinc/21/26/93/222212693.db2.gz BWNLTDZKEHKZQG-UHFFFAOYSA-N 1 0 334.376 2.163 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000237781785 268662401 /nfs/dbraw/zinc/66/24/01/268662401.db2.gz FKPAHCNSQHSHDR-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270084056 268786011 /nfs/dbraw/zinc/78/60/11/268786011.db2.gz JDZMWDHAABOSME-HNNXBMFYSA-N 1 0 347.415 2.164 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272583288 268995175 /nfs/dbraw/zinc/99/51/75/268995175.db2.gz RZMQHYUEOLFJSD-UHFFFAOYSA-N 1 0 349.416 2.061 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275438757 269115916 /nfs/dbraw/zinc/11/59/16/269115916.db2.gz KAKGEKFMNQEVAZ-HNNXBMFYSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277747767 269178151 /nfs/dbraw/zinc/17/81/51/269178151.db2.gz BURCILHIRBPQJC-AWEZNQCLSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000277826663 269187552 /nfs/dbraw/zinc/18/75/52/269187552.db2.gz QVWSFKAOJJNRPK-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Cl ZINC000278297764 269221887 /nfs/dbraw/zinc/22/18/87/269221887.db2.gz DFVJDHWEMZKDEK-AOOOYVTPSA-N 1 0 339.779 2.033 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278352082 269224731 /nfs/dbraw/zinc/22/47/31/269224731.db2.gz JTLCNRLMAVLGPZ-SNVBAGLBSA-N 1 0 347.341 2.056 20 5 EEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361296 269274213 /nfs/dbraw/zinc/27/42/13/269274213.db2.gz WIQBEDBLVSBFCW-TZMCWYRMSA-N 1 0 326.418 2.162 20 5 EEBDRO C[NH+](C)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000048759919 273792259 /nfs/dbraw/zinc/79/22/59/273792259.db2.gz VASVNTZHOMVXBC-UHFFFAOYSA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000237707703 274199769 /nfs/dbraw/zinc/19/97/69/274199769.db2.gz OHCTYJWHCAGOAX-DYVFJYSZSA-N 1 0 342.399 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC(C[NH+]3CCOCC3)CC1)CCN2 ZINC000275392672 274245285 /nfs/dbraw/zinc/24/52/85/274245285.db2.gz QMRXWDSCNPVQRT-UHFFFAOYSA-N 1 0 346.431 2.111 20 5 EEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC1 ZINC000275429121 274247503 /nfs/dbraw/zinc/24/75/03/274247503.db2.gz IQBKUBPSAVGRHV-UHFFFAOYSA-N 1 0 334.376 2.448 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275429819 274247948 /nfs/dbraw/zinc/24/79/48/274247948.db2.gz IXIRRXITFGPGMR-IUODEOHRSA-N 1 0 335.404 2.323 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287253878 274948687 /nfs/dbraw/zinc/94/86/87/274948687.db2.gz RPCRBSGTSLIXCZ-WMLDXEAASA-N 1 0 347.415 2.367 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287988091 275012587 /nfs/dbraw/zinc/01/25/87/275012587.db2.gz RPMAAXNHVKCDRP-AWEZNQCLSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1cnn([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289756392 275145824 /nfs/dbraw/zinc/14/58/24/275145824.db2.gz FRHFTERESUPDJP-UONOGXRCSA-N 1 0 343.387 2.374 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000479469297 276025017 /nfs/dbraw/zinc/02/50/17/276025017.db2.gz GHUWIFKVXMPFAV-OAHLLOKOSA-N 1 0 348.447 2.410 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348851623 276103971 /nfs/dbraw/zinc/10/39/71/276103971.db2.gz XESYDVHQKSCSFS-LLVKDONJSA-N 1 0 346.387 2.309 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000362073488 279247067 /nfs/dbraw/zinc/24/70/67/279247067.db2.gz XBGFILVXYLJPNG-VXEWELBQSA-N 1 0 341.433 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000296985437 294120951 /nfs/dbraw/zinc/12/09/51/294120951.db2.gz DZZOULQXPXAAFW-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000297892146 294367517 /nfs/dbraw/zinc/36/75/17/294367517.db2.gz WVHSQHSVNAMJNO-GFCCVEGCSA-N 1 0 333.392 2.328 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000298026250 294399919 /nfs/dbraw/zinc/39/99/19/294399919.db2.gz RXIWOWMASTYSMU-SFHVURJKSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293241 301557080 /nfs/dbraw/zinc/55/70/80/301557080.db2.gz QEDVCLSPIHNDCB-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160230801 311351248 /nfs/dbraw/zinc/35/12/48/311351248.db2.gz MIIJNYIGUNIGSP-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000307902239 311582594 /nfs/dbraw/zinc/58/25/94/311582594.db2.gz VDNNTGZBBUWFAW-LLVKDONJSA-N 1 0 342.193 2.228 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331305065 311836567 /nfs/dbraw/zinc/83/65/67/311836567.db2.gz WOIOIEHZBWVBNR-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000350314545 312320989 /nfs/dbraw/zinc/32/09/89/312320989.db2.gz CIEAPVQFIQWVQI-SNVBAGLBSA-N 1 0 348.359 2.005 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)s1 ZINC000414552298 313040483 /nfs/dbraw/zinc/04/04/83/313040483.db2.gz DEGKWRRNWQSBAC-BLLLJJGKSA-N 1 0 348.424 2.498 20 5 EEBDRO Cc1sc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416506352 313241649 /nfs/dbraw/zinc/24/16/49/313241649.db2.gz ICPCYSWFEPNATR-UHFFFAOYSA-N 1 0 347.462 2.117 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000417716228 313575118 /nfs/dbraw/zinc/57/51/18/313575118.db2.gz LDANPHOXZWWPPQ-KBPBESRZSA-N 1 0 349.435 2.145 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000420410466 313951818 /nfs/dbraw/zinc/95/18/18/313951818.db2.gz AKGHTHMQNDXYEO-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421013042 314024602 /nfs/dbraw/zinc/02/46/02/314024602.db2.gz UPAPDELBJTXOHW-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C[NH3+] ZINC000430577192 314549969 /nfs/dbraw/zinc/54/99/69/314549969.db2.gz YQSCRZOWHDXHKA-BXUZGUMPSA-N 1 0 331.376 2.204 20 5 EEBDRO CCOc1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000518756329 316743249 /nfs/dbraw/zinc/74/32/49/316743249.db2.gz AHZVKOWXIVVJLM-MRXNPFEDSA-N 1 0 339.392 2.105 20 5 EEBDRO Cc1cc(OCC(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000521959907 316940267 /nfs/dbraw/zinc/94/02/67/316940267.db2.gz BJBDSBCIMFNQRC-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000527044943 317145410 /nfs/dbraw/zinc/14/54/10/317145410.db2.gz TXWSMXYMIJUWLZ-LBPRGKRZSA-N 1 0 341.433 2.141 20 5 EEBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541051307 318091697 /nfs/dbraw/zinc/09/16/97/318091697.db2.gz HUNQNBQGXSKOKO-HNNXBMFYSA-N 1 0 343.383 2.473 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000547864470 318330120 /nfs/dbraw/zinc/33/01/20/318330120.db2.gz PXJAJRJJSJRJCW-UHFFFAOYSA-N 1 0 347.371 2.024 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000560954339 318818063 /nfs/dbraw/zinc/81/80/63/318818063.db2.gz STYQZVCTGHHARB-VIFPVBQESA-N 1 0 344.318 2.399 20 5 EEBDRO CC1(C)C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000566122491 319248123 /nfs/dbraw/zinc/24/81/23/319248123.db2.gz NBASEZKBDSPREY-ZIAGYGMSSA-N 1 0 338.404 2.129 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000566251213 319264759 /nfs/dbraw/zinc/26/47/59/319264759.db2.gz NFCAHAGBRJJIAD-DZGCQCFKSA-N 1 0 346.431 2.055 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000582899820 324553277 /nfs/dbraw/zinc/55/32/77/324553277.db2.gz KCGPJZABZBCDGJ-CQSZACIVSA-N 1 0 338.310 2.403 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134421476 463037165 /nfs/dbraw/zinc/03/71/65/463037165.db2.gz RQYHOQJWZLLGBP-UHFFFAOYSA-N 1 0 332.404 2.467 20 5 EEBDRO Cc1c(Br)c(NCCOCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000231208179 464206044 /nfs/dbraw/zinc/20/60/44/464206044.db2.gz UIHBXHBJQDHCDC-UHFFFAOYSA-N 1 0 347.213 2.051 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193291879 465028670 /nfs/dbraw/zinc/02/86/70/465028670.db2.gz UFXWDQHSJWKVHJ-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293230 465028777 /nfs/dbraw/zinc/02/87/77/465028777.db2.gz QEDVCLSPIHNDCB-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354793582 465158003 /nfs/dbraw/zinc/15/80/03/465158003.db2.gz QZXXKKAQFFUSRG-AWEZNQCLSA-N 1 0 343.387 2.055 20 5 EEBDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351493425 465183996 /nfs/dbraw/zinc/18/39/96/465183996.db2.gz OERDOWFNYOMFHX-QWHCGFSZSA-N 1 0 337.424 2.027 20 5 EEBDRO COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000355201552 465232713 /nfs/dbraw/zinc/23/27/13/465232713.db2.gz BGSRYUUMNHZPHH-IIDMSEBBSA-N 1 0 349.431 2.287 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000298036674 465281098 /nfs/dbraw/zinc/28/10/98/465281098.db2.gz GUDHZFOAGOOJMR-UHFFFAOYSA-N 1 0 344.419 2.179 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000298363021 465374815 /nfs/dbraw/zinc/37/48/15/465374815.db2.gz GBNMOHOHJTVAGL-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521186236 468293399 /nfs/dbraw/zinc/29/33/99/468293399.db2.gz BWMVHBVDUTWGSR-UHFFFAOYSA-N 1 0 349.387 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)COC2CCOCC2)cc1 ZINC000127395938 462547832 /nfs/dbraw/zinc/54/78/32/462547832.db2.gz OJZVQFZYNVVTQK-OAHLLOKOSA-N 1 0 347.371 2.015 20 5 EEBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000074102832 462554695 /nfs/dbraw/zinc/55/46/95/462554695.db2.gz UXVOZKWDYGUZRR-INIZCTEOSA-N 1 0 328.372 2.490 20 5 EEBDRO Cc1cnccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000127637074 462571320 /nfs/dbraw/zinc/57/13/20/462571320.db2.gz JSTJPFJETGPMRQ-UHFFFAOYSA-N 1 0 342.355 2.387 20 5 EEBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061647872 462594750 /nfs/dbraw/zinc/59/47/50/462594750.db2.gz YAJMEVFLHRWYQS-UHFFFAOYSA-N 1 0 347.415 2.169 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000128132601 462612460 /nfs/dbraw/zinc/61/24/60/462612460.db2.gz HEHCEXNVKKXZIA-UHFFFAOYSA-N 1 0 334.420 2.379 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128215999 462620199 /nfs/dbraw/zinc/62/01/99/462620199.db2.gz RBBLQLNXHCGIPP-GFCCVEGCSA-N 1 0 348.359 2.061 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153585441 462666900 /nfs/dbraw/zinc/66/69/00/462666900.db2.gz FJRQIUGASAYNSL-NSHDSACASA-N 1 0 327.816 2.081 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000089929413 462744778 /nfs/dbraw/zinc/74/47/78/462744778.db2.gz FTGCUDHCNHKNFN-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015510 462767477 /nfs/dbraw/zinc/76/74/77/462767477.db2.gz ZULJWTNRZLATKX-QWHCGFSZSA-N 1 0 341.433 2.041 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000090181414 462783564 /nfs/dbraw/zinc/78/35/64/462783564.db2.gz STECJYLISPFFTR-DGCLKSJQSA-N 1 0 333.388 2.407 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000065674896 462818427 /nfs/dbraw/zinc/81/84/27/462818427.db2.gz VWHMCGQEHKWCBA-KGLIPLIRSA-N 1 0 335.404 2.210 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](OC)C1 ZINC000076348147 462846798 /nfs/dbraw/zinc/84/67/98/462846798.db2.gz HFHMKDPGRQJIJY-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014261155 462922852 /nfs/dbraw/zinc/92/28/52/462922852.db2.gz ZGQYTAZTQFAPOH-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000119694621 462924253 /nfs/dbraw/zinc/92/42/53/462924253.db2.gz FQFFWBVYZDAJLF-OAHLLOKOSA-N 1 0 348.447 2.491 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000579226569 468327998 /nfs/dbraw/zinc/32/79/98/468327998.db2.gz SQJQXTTWPCCWHJ-AWEZNQCLSA-N 1 0 326.356 2.078 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120125884 462964790 /nfs/dbraw/zinc/96/47/90/462964790.db2.gz PRJGMZBLSVYGCS-MRXNPFEDSA-N 1 0 331.416 2.472 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000049992636 462983024 /nfs/dbraw/zinc/98/30/24/462983024.db2.gz DSOKRZKIQAOMGO-CYBMUJFWSA-N 1 0 348.359 2.122 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000156144271 462985319 /nfs/dbraw/zinc/98/53/19/462985319.db2.gz IFWKEULMKGHPKM-ZDUSSCGKSA-N 1 0 332.360 2.081 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000067703574 463039865 /nfs/dbraw/zinc/03/98/65/463039865.db2.gz GFVGUSKSYCGWHA-CQSZACIVSA-N 1 0 344.415 2.162 20 5 EEBDRO Cc1nn(C)c(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000051854016 463050603 /nfs/dbraw/zinc/05/06/03/463050603.db2.gz SZNHYENZABZOOS-LBPRGKRZSA-N 1 0 329.404 2.495 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000053238269 463143420 /nfs/dbraw/zinc/14/34/20/463143420.db2.gz SVTOCKKSYTWTTF-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135445516 463157440 /nfs/dbraw/zinc/15/74/40/463157440.db2.gz DNQCMVNFHYUHQK-KRWDZBQOSA-N 1 0 344.415 2.417 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053583373 463176960 /nfs/dbraw/zinc/17/69/60/463176960.db2.gz NEOKWSZDORUFHY-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO COc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054281575 463223608 /nfs/dbraw/zinc/22/36/08/463223608.db2.gz AJKBLMFESMILNX-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079682377 463239860 /nfs/dbraw/zinc/23/98/60/463239860.db2.gz VLEGRQVQUQPUHP-VIFPVBQESA-N 1 0 331.294 2.295 20 5 EEBDRO [NH3+]CC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000160912496 463381517 /nfs/dbraw/zinc/38/15/17/463381517.db2.gz QXTWCWCCXFDFIH-UHFFFAOYSA-N 1 0 347.415 2.484 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000151143972 463483272 /nfs/dbraw/zinc/48/32/72/463483272.db2.gz CRVFKHQZAXOAAU-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO Nc1nc(NCc2ccccc2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000058194213 463550864 /nfs/dbraw/zinc/55/08/64/463550864.db2.gz MKQCCVULFVSWFD-UHFFFAOYSA-N 1 0 328.376 2.175 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058300177 463574280 /nfs/dbraw/zinc/57/42/80/463574280.db2.gz YVOQNENHXLNBCJ-TZMCWYRMSA-N 1 0 328.372 2.433 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000073131525 463588127 /nfs/dbraw/zinc/58/81/27/463588127.db2.gz IDWDOHYXYXERGD-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559068 463615556 /nfs/dbraw/zinc/61/55/56/463615556.db2.gz PXTANXFWUVWGNM-WFASDCNBSA-N 1 0 332.404 2.439 20 5 EEBDRO C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185036025 463739171 /nfs/dbraw/zinc/73/91/71/463739171.db2.gz JDNMOMYKQXZEGP-GFCCVEGCSA-N 1 0 335.379 2.392 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000171122160 463791974 /nfs/dbraw/zinc/79/19/74/463791974.db2.gz JLZBYKZSVBUINV-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000261603745 463798262 /nfs/dbraw/zinc/79/82/62/463798262.db2.gz AVFIUAJVQWHICH-JKSUJKDBSA-N 1 0 325.368 2.470 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000261789308 463860000 /nfs/dbraw/zinc/86/00/00/463860000.db2.gz QGRZOIAAUGBKHZ-CYBMUJFWSA-N 1 0 342.193 2.168 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000287317173 463867915 /nfs/dbraw/zinc/86/79/15/463867915.db2.gz NNNIAUAKTSGNQH-ZDUSSCGKSA-N 1 0 348.403 2.089 20 5 EEBDRO C[NH2+][C@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000261846527 463877332 /nfs/dbraw/zinc/87/73/32/463877332.db2.gz XJTVSGXPQTWOOU-NSHDSACASA-N 1 0 345.346 2.389 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178448234 463902909 /nfs/dbraw/zinc/90/29/09/463902909.db2.gz UFEHKPMOWXPRDO-UHFFFAOYSA-N 1 0 331.294 2.439 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262038730 463931168 /nfs/dbraw/zinc/93/11/68/463931168.db2.gz FZPIFTACSZPZBN-OLZOCXBDSA-N 1 0 343.387 2.028 20 5 EEBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH+](C2CC2)CC1 ZINC000194813541 463933342 /nfs/dbraw/zinc/93/33/42/463933342.db2.gz SULQIMKUNHEFIV-UHFFFAOYSA-N 1 0 329.360 2.284 20 5 EEBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000269309694 463948847 /nfs/dbraw/zinc/94/88/47/463948847.db2.gz HKPHMCWODBTZQP-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269397966 463976482 /nfs/dbraw/zinc/97/64/82/463976482.db2.gz NEQLFIAEOOJNBG-VXGBXAGGSA-N 1 0 337.424 2.292 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972432 468387527 /nfs/dbraw/zinc/38/75/27/468387527.db2.gz TUCFWWMVVCOSTA-CJNGLKHVSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263304860 464082257 /nfs/dbraw/zinc/08/22/57/464082257.db2.gz XRKOQZYGMBXPNB-WMZOPIPTSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591013994 468393165 /nfs/dbraw/zinc/39/31/65/468393165.db2.gz GCCOQLJIBPQJGS-SFHVURJKSA-N 1 0 343.383 2.421 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964104 464141729 /nfs/dbraw/zinc/14/17/29/464141729.db2.gz VYDWDBFNNDWSLQ-NVXWUHKLSA-N 1 0 346.383 2.178 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292557564 464273222 /nfs/dbraw/zinc/27/32/22/464273222.db2.gz AUKSFPMXMBMCJB-INIZCTEOSA-N 1 0 336.388 2.362 20 5 EEBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000271442770 464312019 /nfs/dbraw/zinc/31/20/19/464312019.db2.gz HAKLBVGVYXQDDF-UHFFFAOYSA-N 1 0 344.362 2.246 20 5 EEBDRO C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000237685774 464363351 /nfs/dbraw/zinc/36/33/51/464363351.db2.gz GIHVMCJJNJBETD-BBRMVZONSA-N 1 0 334.420 2.373 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271761750 464374677 /nfs/dbraw/zinc/37/46/77/464374677.db2.gz GXHUFPPEMSOWKB-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000174320339 464392284 /nfs/dbraw/zinc/39/22/84/464392284.db2.gz GXSOIQLQXFINKW-ZDUSSCGKSA-N 1 0 332.404 2.043 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099050 464454022 /nfs/dbraw/zinc/45/40/22/464454022.db2.gz KFUAHHDFXMNVER-TZMCWYRMSA-N 1 0 344.419 2.230 20 5 EEBDRO COCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294363715 464479110 /nfs/dbraw/zinc/47/91/10/464479110.db2.gz AUOBHCIFFVVGIH-UHFFFAOYSA-N 1 0 336.310 2.444 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294389476 464486841 /nfs/dbraw/zinc/48/68/41/464486841.db2.gz DDCDPAHSKZSBAF-SECBINFHSA-N 1 0 331.294 2.295 20 5 EEBDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175382107 464537659 /nfs/dbraw/zinc/53/76/59/464537659.db2.gz STZUOVCTKOVHLJ-SFDCACGMSA-N 1 0 336.417 2.222 20 5 EEBDRO COc1cc(CNC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262677 464541777 /nfs/dbraw/zinc/54/17/77/464541777.db2.gz AVMOFLFAKGIYLU-JTQLQIEISA-N 1 0 347.362 2.287 20 5 EEBDRO CCOC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815564 464553176 /nfs/dbraw/zinc/55/31/76/464553176.db2.gz HDBSRJYIZRAIMG-HZPDHXFCSA-N 1 0 335.404 2.351 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000285425788 464559658 /nfs/dbraw/zinc/55/96/58/464559658.db2.gz WCBFORLGYBPRRA-ZDUSSCGKSA-N 1 0 345.321 2.232 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182227116 464605360 /nfs/dbraw/zinc/60/53/60/464605360.db2.gz RIQVVKFUTQCLGQ-LBPRGKRZSA-N 1 0 349.387 2.127 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000182269386 464616413 /nfs/dbraw/zinc/61/64/13/464616413.db2.gz VNUYZTFFSYSPHY-INIZCTEOSA-N 1 0 343.383 2.394 20 5 EEBDRO CC(C)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285613639 464627871 /nfs/dbraw/zinc/62/78/71/464627871.db2.gz DDJRDNFDZZNUSS-SJORKVTESA-N 1 0 347.415 2.263 20 5 EEBDRO CC(C)(C(=O)NCCN1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265851366 464708847 /nfs/dbraw/zinc/70/88/47/464708847.db2.gz XJPQCMBJZXDPHM-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000295268842 464769107 /nfs/dbraw/zinc/76/91/07/464769107.db2.gz OHTPLIPMGBYVTO-LLVKDONJSA-N 1 0 339.367 2.156 20 5 EEBDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282419044 464811694 /nfs/dbraw/zinc/81/16/94/464811694.db2.gz QPXAILZVVUWPLX-BXUZGUMPSA-N 1 0 344.371 2.049 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000249086903 464838123 /nfs/dbraw/zinc/83/81/23/464838123.db2.gz SIKYZTXDEYPARA-TZMCWYRMSA-N 1 0 326.418 2.162 20 5 EEBDRO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192005803 464846974 /nfs/dbraw/zinc/84/69/74/464846974.db2.gz BTRPCWZNJDWWJM-OAHLLOKOSA-N 1 0 335.404 2.008 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000276223308 464852713 /nfs/dbraw/zinc/85/27/13/464852713.db2.gz MQYBCAHVELSVBM-UHFFFAOYSA-N 1 0 332.404 2.350 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000266923989 464872435 /nfs/dbraw/zinc/87/24/35/464872435.db2.gz LURMEKUBHCFRLC-LBPRGKRZSA-N 1 0 345.403 2.267 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000183644076 464891850 /nfs/dbraw/zinc/89/18/50/464891850.db2.gz SNGXWKPFFOHYIR-MRXNPFEDSA-N 1 0 329.356 2.165 20 5 EEBDRO CCc1nn(C)c(N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286558133 464959938 /nfs/dbraw/zinc/95/99/38/464959938.db2.gz PILLGDVUNYXBNW-UHFFFAOYSA-N 1 0 335.408 2.442 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193036739 465023465 /nfs/dbraw/zinc/02/34/65/465023465.db2.gz UFCKOUKQQBPYFQ-DOMZBBRYSA-N 1 0 341.433 2.089 20 5 EEBDRO COCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000358802042 465331347 /nfs/dbraw/zinc/33/13/47/465331347.db2.gz CUTVQABEQJIOLX-UHFFFAOYSA-N 1 0 333.392 2.020 20 5 EEBDRO NC(=O)c1ccc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000298279677 465353295 /nfs/dbraw/zinc/35/32/95/465353295.db2.gz QZAFJEDQUWXFEV-UHFFFAOYSA-N 1 0 340.383 2.164 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000342898810 465378119 /nfs/dbraw/zinc/37/81/19/465378119.db2.gz CLSSFJQSCLAXPV-UHFFFAOYSA-N 1 0 341.433 2.125 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000339628860 465400967 /nfs/dbraw/zinc/40/09/67/465400967.db2.gz NTRXLVRSUNRBAW-BZPMIXESSA-N 1 0 334.420 2.255 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000600000042 468433011 /nfs/dbraw/zinc/43/30/11/468433011.db2.gz LFWJHJPDXOHMNX-PJXYFTJBSA-N 1 0 343.305 2.246 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337551013 465428245 /nfs/dbraw/zinc/42/82/45/465428245.db2.gz PNKUTVAYDVCMMN-LSDHHAIUSA-N 1 0 332.404 2.363 20 5 EEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551119 465449302 /nfs/dbraw/zinc/44/93/02/465449302.db2.gz ZHNSVABFAOXTAG-VXGBXAGGSA-N 1 0 334.376 2.386 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298770595 465499835 /nfs/dbraw/zinc/49/98/35/465499835.db2.gz OLTXTUZYMYJHDW-YOEHRIQHSA-N 1 0 331.372 2.500 20 5 EEBDRO O=[N+]([O-])c1cccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344547050 465662098 /nfs/dbraw/zinc/66/20/98/465662098.db2.gz ZOCRUNNHYCSMQB-IBGZPJMESA-N 1 0 341.411 2.321 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000353194529 465707645 /nfs/dbraw/zinc/70/76/45/465707645.db2.gz PLTJAQDGJWPYFO-AWEZNQCLSA-N 1 0 335.404 2.484 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000362516365 465798281 /nfs/dbraw/zinc/79/82/81/465798281.db2.gz OXVMQLYEMGJILA-BWTRYIQHSA-N 1 0 336.388 2.018 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000362516367 465799064 /nfs/dbraw/zinc/79/90/64/465799064.db2.gz OXVMQLYEMGJILA-MAJSYBNXSA-N 1 0 336.388 2.018 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000299557507 465800088 /nfs/dbraw/zinc/80/00/88/465800088.db2.gz FJIGYXPNKFHEPV-UHFFFAOYSA-N 1 0 338.383 2.261 20 5 EEBDRO CNc1c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361171933 465813380 /nfs/dbraw/zinc/81/33/80/465813380.db2.gz PHBVMGKSGWTMHZ-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591352755 468456256 /nfs/dbraw/zinc/45/62/56/468456256.db2.gz IMOKDYKQEPYBCR-RDJZCZTQSA-N 1 0 346.431 2.311 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261436 465869080 /nfs/dbraw/zinc/86/90/80/465869080.db2.gz DNCUFUKPYDSGLH-MLGOLLRUSA-N 1 0 329.404 2.387 20 5 EEBDRO COc1cc2c(cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-])OCO2 ZINC000348920235 465872441 /nfs/dbraw/zinc/87/24/41/465872441.db2.gz JLSIIQKFEUMKGW-UHFFFAOYSA-N 1 0 345.355 2.297 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591360722 468460003 /nfs/dbraw/zinc/46/00/03/468460003.db2.gz ZPWILTXOFMXVOA-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000340240611 465911592 /nfs/dbraw/zinc/91/15/92/465911592.db2.gz VKKKICXNOUMPKQ-STQMWFEESA-N 1 0 341.433 2.136 20 5 EEBDRO Cc1c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000349023216 465926202 /nfs/dbraw/zinc/92/62/02/465926202.db2.gz BQDJKKBKFDHVQD-GFCCVEGCSA-N 1 0 326.356 2.367 20 5 EEBDRO CC[C@@H]1CN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000362676584 465931834 /nfs/dbraw/zinc/93/18/34/465931834.db2.gz VMPLNAORTGXGFG-CQSZACIVSA-N 1 0 330.388 2.666 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349053881 465941365 /nfs/dbraw/zinc/94/13/65/465941365.db2.gz NBTMZZXIOSBIHU-NSHDSACASA-N 1 0 342.355 2.067 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711658 465962413 /nfs/dbraw/zinc/96/24/13/465962413.db2.gz MMXLXMKWPNBDGL-YESZJQIVSA-N 1 0 338.404 2.456 20 5 EEBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000346219919 466003780 /nfs/dbraw/zinc/00/37/80/466003780.db2.gz ICISUZHUFLUILP-UHFFFAOYSA-N 1 0 349.840 2.177 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000301741019 466022627 /nfs/dbraw/zinc/02/26/27/466022627.db2.gz XTQXPFLPSBSTMD-NSHDSACASA-N 1 0 326.784 2.308 20 5 EEBDRO COc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263803 466040330 /nfs/dbraw/zinc/04/03/30/466040330.db2.gz NJTQBVOSMVUXKI-HEHGZKQESA-N 1 0 347.415 2.406 20 5 EEBDRO CCOc1cc(C(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000338424254 466114065 /nfs/dbraw/zinc/11/40/65/466114065.db2.gz KJSJZTIPFZGCIU-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363150823 466249587 /nfs/dbraw/zinc/24/95/87/466249587.db2.gz WQQFQDMRQTYKCG-CYBMUJFWSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000304273433 466273596 /nfs/dbraw/zinc/27/35/96/466273596.db2.gz CFOFSMCPBZKOGI-ZTFGCOKTSA-N 1 0 344.415 2.278 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000353994190 466308057 /nfs/dbraw/zinc/30/80/57/466308057.db2.gz DWTCQYQORRFXLZ-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CCOC[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000357922373 466321442 /nfs/dbraw/zinc/32/14/42/466321442.db2.gz BOWHTZKWXBCFNQ-CYBMUJFWSA-N 1 0 349.387 2.251 20 5 EEBDRO COc1ccc(CN(C)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000338724130 466335091 /nfs/dbraw/zinc/33/50/91/466335091.db2.gz HFTIRJPAQRUODI-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054209 466365345 /nfs/dbraw/zinc/36/53/45/466365345.db2.gz VDWQUEVSBLSTPE-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305240332 466390989 /nfs/dbraw/zinc/39/09/89/466390989.db2.gz QYIGDZYPNNIWDM-SFHVURJKSA-N 1 0 328.368 2.397 20 5 EEBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591686526 468503464 /nfs/dbraw/zinc/50/34/64/468503464.db2.gz RLVXVVCETXBMLM-CQSZACIVSA-N 1 0 339.342 2.331 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364718619 466713282 /nfs/dbraw/zinc/71/32/82/466713282.db2.gz PJWUGNNFJBSZSK-HNNXBMFYSA-N 1 0 342.399 2.808 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416333271 466730039 /nfs/dbraw/zinc/73/00/39/466730039.db2.gz KVJIEHGDXDIFHK-UHFFFAOYSA-N 1 0 337.424 2.388 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365206255 466744942 /nfs/dbraw/zinc/74/49/42/466744942.db2.gz WXGFTBNDWMHSOU-YOEHRIQHSA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000423642079 466793492 /nfs/dbraw/zinc/79/34/92/466793492.db2.gz HYQOJYSDAMYSEY-BMIGLBTASA-N 1 0 339.370 2.382 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423702381 466808229 /nfs/dbraw/zinc/80/82/29/466808229.db2.gz YDOODGXGWPMPRL-GFCCVEGCSA-N 1 0 345.371 2.434 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423725195 466814954 /nfs/dbraw/zinc/81/49/54/466814954.db2.gz NPFJAYKLNRNPJF-AAEUAGOBSA-N 1 0 331.376 2.707 20 5 EEBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411654484 466867642 /nfs/dbraw/zinc/86/76/42/466867642.db2.gz XVWHFNFJCGFRCH-CJNGLKHVSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718192 466916738 /nfs/dbraw/zinc/91/67/38/466916738.db2.gz NXNQKFYBPZBTSV-DZGCQCFKSA-N 1 0 334.420 2.296 20 5 EEBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000424081469 466974820 /nfs/dbraw/zinc/97/48/20/466974820.db2.gz VOLMMQUXLKSYGK-OAHLLOKOSA-N 1 0 325.368 2.444 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000412057349 466986369 /nfs/dbraw/zinc/98/63/69/466986369.db2.gz QVVXSPSSQUXMRM-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCS(C)(=O)=O ZINC000424306177 467026862 /nfs/dbraw/zinc/02/68/62/467026862.db2.gz HFFFCVQALYEPOK-ZDUSSCGKSA-N 1 0 328.434 2.330 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000425508713 467102910 /nfs/dbraw/zinc/10/29/10/467102910.db2.gz RYGDDCCMMHAWFG-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000377643877 467105138 /nfs/dbraw/zinc/10/51/38/467105138.db2.gz QWZMIUCFCYZJBI-CQSZACIVSA-N 1 0 340.383 2.062 20 5 EEBDRO C[C@@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425656379 467119832 /nfs/dbraw/zinc/11/98/32/467119832.db2.gz SPECXAOPAHVLLA-IVMMDQJWSA-N 1 0 332.404 2.391 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413129942 467175660 /nfs/dbraw/zinc/17/56/60/467175660.db2.gz GAYRDTZVYYGULY-SECBINFHSA-N 1 0 334.298 2.141 20 5 EEBDRO CN(C)c1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000419693542 467237646 /nfs/dbraw/zinc/23/76/46/467237646.db2.gz NMBJXWLDQDWWMG-UHFFFAOYSA-N 1 0 337.811 2.380 20 5 EEBDRO CS(=O)(=O)c1cccc(NC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000420264653 467332695 /nfs/dbraw/zinc/33/26/95/467332695.db2.gz UIFLNMNTSJYKGX-HAQNSBGRSA-N 1 0 341.433 2.175 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]4C[NH2+]C[C@H]43)o2)c1 ZINC000420345298 467371997 /nfs/dbraw/zinc/37/19/97/467371997.db2.gz VTGSGCORCJYFEP-GOEBONIOSA-N 1 0 342.399 2.476 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC000452731853 467415737 /nfs/dbraw/zinc/41/57/37/467415737.db2.gz PCALGGXVAKDASN-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000391660558 467421175 /nfs/dbraw/zinc/42/11/75/467421175.db2.gz KCOJJTYYKCQYRT-HIFRSBDPSA-N 1 0 332.404 2.193 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000392689602 467427862 /nfs/dbraw/zinc/42/78/62/467427862.db2.gz RUOLZTDBSRBWIP-KRWDZBQOSA-N 1 0 325.368 2.141 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435624958 467482484 /nfs/dbraw/zinc/48/24/84/467482484.db2.gz YXODKPQBALFNEG-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420924509 467515473 /nfs/dbraw/zinc/51/54/73/467515473.db2.gz JZIKUKMGUCDMLO-CHWSQXEVSA-N 1 0 338.408 2.234 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000431716051 467534923 /nfs/dbraw/zinc/53/49/23/467534923.db2.gz QEBSBAKCXRGBHG-UHFFFAOYSA-N 1 0 335.404 2.082 20 5 EEBDRO CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447527840 467587863 /nfs/dbraw/zinc/58/78/63/467587863.db2.gz GDRVFQQOQAQWOR-NWDGAFQWSA-N 1 0 349.357 2.359 20 5 EEBDRO C[N@H+](CCCCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000454607414 467603905 /nfs/dbraw/zinc/60/39/05/467603905.db2.gz YNNVGUYEEXBTRT-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CNc1nc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454963531 467626649 /nfs/dbraw/zinc/62/66/49/467626649.db2.gz UXFJDAUWHIYBCD-LBPRGKRZSA-N 1 0 349.435 2.272 20 5 EEBDRO COC[C@@]1(C(=O)OC)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449460818 467649035 /nfs/dbraw/zinc/64/90/35/467649035.db2.gz ZWEKZXMIWDTQKT-XTKXOIQPSA-N 1 0 334.372 2.120 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000449533400 467658488 /nfs/dbraw/zinc/65/84/88/467658488.db2.gz KPOFVTAXFWKXCG-TXEJJXNPSA-N 1 0 327.812 2.135 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)cc1OC(F)F ZINC000450595231 467876532 /nfs/dbraw/zinc/87/65/32/467876532.db2.gz LVVYSRSDSKDPMK-LBPRGKRZSA-N 1 0 345.346 2.455 20 5 EEBDRO CCc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000471957586 467982973 /nfs/dbraw/zinc/98/29/73/467982973.db2.gz XKGFZAIADSHVMO-UHFFFAOYSA-N 1 0 349.431 2.340 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCO[C@H](CC)C1 ZINC000487161424 468026103 /nfs/dbraw/zinc/02/61/03/468026103.db2.gz GRDJSBWINWALSL-MRXNPFEDSA-N 1 0 337.420 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000516966380 468060695 /nfs/dbraw/zinc/06/06/95/468060695.db2.gz ZLGBRFPSHRKQET-MRXNPFEDSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488355971 468082522 /nfs/dbraw/zinc/08/25/22/468082522.db2.gz YJOOERJHWLJVFV-QPUJVOFHSA-N 1 0 342.193 2.494 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532240654 468105231 /nfs/dbraw/zinc/10/52/31/468105231.db2.gz VEOLJJYAJDOANE-KGLIPLIRSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518814391 468128036 /nfs/dbraw/zinc/12/80/36/468128036.db2.gz FGUIOPCCISNLCM-NEPJUHHUSA-N 1 0 349.387 2.174 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000490295059 468205182 /nfs/dbraw/zinc/20/51/82/468205182.db2.gz ZFBUJDNVINDESN-HNNXBMFYSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197840 468509259 /nfs/dbraw/zinc/50/92/59/468509259.db2.gz QPOIRESVUYXPIR-UONOGXRCSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(F)ccc1F ZINC000591734529 468512157 /nfs/dbraw/zinc/51/21/57/468512157.db2.gz KYPICFHALRQQGO-ZDUSSCGKSA-N 1 0 338.310 2.403 20 5 EEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591745365 468513002 /nfs/dbraw/zinc/51/30/02/468513002.db2.gz VWQXPSMFGIHFFU-STQMWFEESA-N 1 0 326.393 2.128 20 5 EEBDRO C[C@@H](CCc1cccn1C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744953 468513395 /nfs/dbraw/zinc/51/33/95/468513395.db2.gz ZPUNYGXEENTTAO-HOCLYGCPSA-N 1 0 347.415 2.284 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000591759476 468515962 /nfs/dbraw/zinc/51/59/62/468515962.db2.gz TWSLLNAPRATWIX-HIFRSBDPSA-N 1 0 326.418 2.210 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594217080 468516612 /nfs/dbraw/zinc/51/66/12/468516612.db2.gz OWHSDBYPZWQSHB-DLBZAZTESA-N 1 0 346.431 2.453 20 5 EEBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000569809265 468546268 /nfs/dbraw/zinc/54/62/68/468546268.db2.gz YZRFFGNEJXBHIP-JTQLQIEISA-N 1 0 343.330 2.362 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599327 468631764 /nfs/dbraw/zinc/63/17/64/468631764.db2.gz JELZCMQHSRAJCT-OLZOCXBDSA-N 1 0 334.376 2.205 20 5 EEBDRO CC[NH+]1CCN(CCC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000597669134 468631924 /nfs/dbraw/zinc/63/19/24/468631924.db2.gz RURRYUTWQFVKJN-UHFFFAOYSA-N 1 0 334.420 2.178 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3Cl)CC2)c1 ZINC000592138133 468634207 /nfs/dbraw/zinc/63/42/07/468634207.db2.gz TUBGHRVCIMVLER-GFCCVEGCSA-N 1 0 336.779 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000594616437 468638380 /nfs/dbraw/zinc/63/83/80/468638380.db2.gz BTSZVVOEVPDPSS-OAHLLOKOSA-N 1 0 337.395 2.421 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597708506 468646003 /nfs/dbraw/zinc/64/60/03/468646003.db2.gz NKYGKDAUIWEBRF-UHFFFAOYSA-N 1 0 346.412 2.352 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1O ZINC000594959831 468732722 /nfs/dbraw/zinc/73/27/22/468732722.db2.gz GZQHFKCXELZKPW-YCDSQXFLSA-N 1 0 342.417 2.088 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147437 468760971 /nfs/dbraw/zinc/76/09/71/468760971.db2.gz NIKOIDLFCDMLDD-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595222570 468788060 /nfs/dbraw/zinc/78/80/60/468788060.db2.gz NUYIBUPDOKVKIH-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000598342291 468836931 /nfs/dbraw/zinc/83/69/31/468836931.db2.gz LWWQUMNQSYURTD-LLVKDONJSA-N 1 0 344.371 2.063 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072704 468861038 /nfs/dbraw/zinc/86/10/38/468861038.db2.gz LJUWEZNCCCBVKZ-GFCCVEGCSA-N 1 0 342.342 2.456 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000601427690 468869129 /nfs/dbraw/zinc/86/91/29/468869129.db2.gz DSABRIUVLTXMLQ-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598557141 468911601 /nfs/dbraw/zinc/91/16/01/468911601.db2.gz BHVUSFFTQFNRIX-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598558810 468912653 /nfs/dbraw/zinc/91/26/53/468912653.db2.gz DLZOTYOCWQUGET-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000598608815 468931052 /nfs/dbraw/zinc/93/10/52/468931052.db2.gz WQQQKGUVXYKNMD-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO COc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000593315562 468936551 /nfs/dbraw/zinc/93/65/51/468936551.db2.gz LLAHWPXTSNKCMB-GUYCJALGSA-N 1 0 335.404 2.173 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000593441466 468980571 /nfs/dbraw/zinc/98/05/71/468980571.db2.gz SWWPZEODEGPJRB-OAHLLOKOSA-N 1 0 335.379 2.363 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602665715 468998058 /nfs/dbraw/zinc/99/80/58/468998058.db2.gz YBGWDAYDARQUSD-INIZCTEOSA-N 1 0 346.431 2.407 20 5 EEBDRO CN(CC[NH+]1CCCCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593517419 469012471 /nfs/dbraw/zinc/01/24/71/469012471.db2.gz UFKONOITNUIZET-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000610704523 469044420 /nfs/dbraw/zinc/04/44/20/469044420.db2.gz ZYGOFVHUUSBBIF-CQSZACIVSA-N 1 0 346.387 2.262 20 5 EEBDRO CCOC(=O)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595874146 469056990 /nfs/dbraw/zinc/05/69/90/469056990.db2.gz NIXRZEBEUFLNFZ-UHFFFAOYSA-N 1 0 336.388 2.229 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000562837634 469089511 /nfs/dbraw/zinc/08/95/11/469089511.db2.gz SNNOIOLJDCIJNB-IRXDYDNUSA-N 1 0 346.431 2.448 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601977788 469124583 /nfs/dbraw/zinc/12/45/83/469124583.db2.gz TZRPYKOYAOPCPV-ZDUSSCGKSA-N 1 0 335.404 2.258 20 5 EEBDRO NC(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000596051358 469128903 /nfs/dbraw/zinc/12/89/03/469128903.db2.gz PZDAVOHFTOZEID-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599126923 469128949 /nfs/dbraw/zinc/12/89/49/469128949.db2.gz PGMYDDZHDVUWST-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596091143 469150260 /nfs/dbraw/zinc/15/02/60/469150260.db2.gz WEXCREMYDYCEPQ-ZDUSSCGKSA-N 1 0 330.388 2.136 20 5 EEBDRO Cc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCCC2)o1 ZINC000596110524 469159656 /nfs/dbraw/zinc/15/96/56/469159656.db2.gz SBMRGTYTZQQDFF-CYBMUJFWSA-N 1 0 331.376 2.722 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602079796 469177840 /nfs/dbraw/zinc/17/78/40/469177840.db2.gz MBFTXSGJSDDFHX-AWEZNQCLSA-N 1 0 333.388 2.237 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602097360 469187690 /nfs/dbraw/zinc/18/76/90/469187690.db2.gz NCZRFKMLUDNOJI-INIZCTEOSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190133 469209310 /nfs/dbraw/zinc/20/93/10/469209310.db2.gz PHVMLQGTGUIZFA-HIFRSBDPSA-N 1 0 347.415 2.425 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997173 469213236 /nfs/dbraw/zinc/21/32/36/469213236.db2.gz FEDBDUCPCSNMOZ-PVAVHDDUSA-N 1 0 347.415 2.467 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]([NH+]3CCCC3)C1)OCCO2 ZINC000611266945 469214867 /nfs/dbraw/zinc/21/48/67/469214867.db2.gz UKCLDNYKJUIIGQ-AWEZNQCLSA-N 1 0 333.388 2.036 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569999 469303288 /nfs/dbraw/zinc/30/32/88/469303288.db2.gz GAACNMLYCDUVAY-ZDUSSCGKSA-N 1 0 332.404 2.228 20 5 EEBDRO CS[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000611713194 469307945 /nfs/dbraw/zinc/30/79/45/469307945.db2.gz ZURIOVIDWAKYPM-UONOGXRCSA-N 1 0 333.417 2.020 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602424354 469310405 /nfs/dbraw/zinc/31/04/05/469310405.db2.gz KGJZJGGHXPPVGN-UHFFFAOYSA-N 1 0 342.193 2.168 20 5 EEBDRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000602440909 469317215 /nfs/dbraw/zinc/31/72/15/469317215.db2.gz MTFPXJXXHUEQKJ-INIZCTEOSA-N 1 0 341.367 2.063 20 5 EEBDRO C[NH+](C)CCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603234451 469317924 /nfs/dbraw/zinc/31/79/24/469317924.db2.gz IAKNSIMOGQTXIQ-UHFFFAOYSA-N 1 0 343.309 2.358 20 5 EEBDRO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879464 469333026 /nfs/dbraw/zinc/33/30/26/469333026.db2.gz GVJNPJIDYPEBNP-KRWDZBQOSA-N 1 0 345.399 2.059 20 5 EEBDRO CC(C)c1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603633275 469420558 /nfs/dbraw/zinc/42/05/58/469420558.db2.gz YFOLYAMZGARMAX-UHFFFAOYSA-N 1 0 343.449 2.089 20 5 EEBDRO O=C(c1ccccc1)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000603833450 469434412 /nfs/dbraw/zinc/43/44/12/469434412.db2.gz NJRXUPNALZQJMN-HOTGVXAUSA-N 1 0 337.379 2.481 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CNc2ccnn2C1)C1CC1 ZINC000619264447 469562753 /nfs/dbraw/zinc/56/27/53/469562753.db2.gz FKDZEVCWNOVBCC-ZDUSSCGKSA-N 1 0 327.388 2.498 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000619871940 469693233 /nfs/dbraw/zinc/69/32/33/469693233.db2.gz NFGYMITZJIVZBH-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000609135694 469894650 /nfs/dbraw/zinc/89/46/50/469894650.db2.gz LZZALXUJGFYBDU-CQSZACIVSA-N 1 0 349.435 2.355 20 5 EEBDRO Cc1ncsc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610000951 469972985 /nfs/dbraw/zinc/97/29/85/469972985.db2.gz FEMRFOSALJTESY-UHFFFAOYSA-N 1 0 333.417 2.119 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130204364 534578313 /nfs/dbraw/zinc/57/83/13/534578313.db2.gz CKGZDULBKFDCOG-LLVKDONJSA-N 1 0 346.412 2.448 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130931886 534838208 /nfs/dbraw/zinc/83/82/08/534838208.db2.gz NDWUAGHNROOSIH-ZDUSSCGKSA-N 1 0 348.403 2.217 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179582914 527735069 /nfs/dbraw/zinc/73/50/69/527735069.db2.gz YURNZLCSKWLKGH-UHFFFAOYSA-N 1 0 347.462 2.027 20 5 EEBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000178907597 527744108 /nfs/dbraw/zinc/74/41/08/527744108.db2.gz RACBOLKFJLAGIU-ZDUSSCGKSA-N 1 0 325.796 2.391 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411430998 527930802 /nfs/dbraw/zinc/93/08/02/527930802.db2.gz UEJUTJIHPKYGGN-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000174151668 528255644 /nfs/dbraw/zinc/25/56/44/528255644.db2.gz MVYXOYNCVNWVNC-GFCCVEGCSA-N 1 0 336.348 2.059 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246846005 535524681 /nfs/dbraw/zinc/52/46/81/535524681.db2.gz QIIGADLGLNJELY-HOCLYGCPSA-N 1 0 349.431 2.462 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447806712 536434002 /nfs/dbraw/zinc/43/40/02/536434002.db2.gz OHEKFQLAMXBHSZ-HNNXBMFYSA-N 1 0 334.420 2.487 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422726074 536454716 /nfs/dbraw/zinc/45/47/16/536454716.db2.gz ZFDGHBBVDCMFSQ-LBPRGKRZSA-N 1 0 328.372 2.215 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772950785 577307326 /nfs/dbraw/zinc/30/73/26/577307326.db2.gz LDBROOWUEYBMBZ-CQSZACIVSA-N 1 0 329.404 2.438 20 5 EEBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000774626279 577407293 /nfs/dbraw/zinc/40/72/93/577407293.db2.gz SYCVMTBWQRWMOB-DOMZBBRYSA-N 1 0 346.387 2.441 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cnccn3)CC2)cc1 ZINC000775417576 577436952 /nfs/dbraw/zinc/43/69/52/577436952.db2.gz NHDHBIUFGKYWLW-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000765435646 577501077 /nfs/dbraw/zinc/50/10/77/577501077.db2.gz AJPVXNLUHDNLGS-QWHCGFSZSA-N 1 0 343.387 2.323 20 5 EEBDRO C[NH+](C)CCCNC(=S)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768480087 577556789 /nfs/dbraw/zinc/55/67/89/577556789.db2.gz PAZOVBJETUEXNH-UHFFFAOYSA-N 1 0 336.461 2.385 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759698772 577648096 /nfs/dbraw/zinc/64/80/96/577648096.db2.gz NFILUODIKVIBIX-UHFFFAOYSA-N 1 0 329.360 2.404 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1COC(C)(C)OC1 ZINC000757706182 577862867 /nfs/dbraw/zinc/86/28/67/577862867.db2.gz VEKBIRSJPSJWSH-NSHDSACASA-N 1 0 337.376 2.053 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000743587462 577887587 /nfs/dbraw/zinc/88/75/87/577887587.db2.gz OYHFDCBJZPOIDL-LBPRGKRZSA-N 1 0 338.364 2.127 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000749153640 577971831 /nfs/dbraw/zinc/97/18/31/577971831.db2.gz NFGKJWKFUGIYKW-UHFFFAOYSA-N 1 0 349.366 2.329 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000804778353 675630238 /nfs/dbraw/zinc/63/02/38/675630238.db2.gz VMDZDDFXDJWRFL-LBPRGKRZSA-N 1 0 336.348 2.107 20 5 EEBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1OC ZINC000891490547 676674444 /nfs/dbraw/zinc/67/44/44/676674444.db2.gz WZDOPBTUIRFYBQ-LBPRGKRZSA-N 1 0 349.391 2.060 20 5 EEBDRO COc1c(O)ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891723001 676802582 /nfs/dbraw/zinc/80/25/82/676802582.db2.gz GPNNPEYFTFBJQF-AWEZNQCLSA-N 1 0 335.404 2.369 20 5 EEBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022675001 678195919 /nfs/dbraw/zinc/19/59/19/678195919.db2.gz GUEFWHQPSXDZAO-GASCZTMLSA-N 1 0 343.383 2.476 20 5 EEBDRO CCc1oncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022792372 678535231 /nfs/dbraw/zinc/53/52/31/678535231.db2.gz JANBYTQERXCCPB-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC000982992148 681616632 /nfs/dbraw/zinc/61/66/32/681616632.db2.gz MHHOGLXCSBTHPB-SAZUREKKSA-N 1 0 347.415 2.006 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC000983263342 682138564 /nfs/dbraw/zinc/13/85/64/682138564.db2.gz QCBREWFMCIHYDJ-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892731492 682954423 /nfs/dbraw/zinc/95/44/23/682954423.db2.gz MQARWCMBRMRWNU-CYBMUJFWSA-N 1 0 344.415 2.225 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895213671 684303266 /nfs/dbraw/zinc/30/32/66/684303266.db2.gz CADPSSOVYMXAEN-JKSUJKDBSA-N 1 0 341.415 2.287 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000895276880 684424222 /nfs/dbraw/zinc/42/42/22/684424222.db2.gz WIISFTAAPAZDCL-NSHDSACASA-N 1 0 332.385 2.402 20 5 EEBDRO Cc1cc(NCC2CC3(C2)OCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896159701 684871043 /nfs/dbraw/zinc/87/10/43/684871043.db2.gz UJUNFXFXQIKNAP-UHFFFAOYSA-N 1 0 329.356 2.438 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccon2)CC1 ZINC000985282890 686212199 /nfs/dbraw/zinc/21/21/99/686212199.db2.gz QJPUFMYIKUCTAC-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO Cc1ocnc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990153546 692700994 /nfs/dbraw/zinc/70/09/94/692700994.db2.gz NFJIEIZMHQQWOT-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cc1cc(N(C)CCN(C)C(=O)C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001105588836 1188201739 /nfs/dbraw/zinc/20/17/39/1188201739.db2.gz ABMHVDPMQFYODV-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000843814347 1188618819 /nfs/dbraw/zinc/61/88/19/1188618819.db2.gz FKLAQQWCSXQGRU-HNNXBMFYSA-N 1 0 341.408 2.209 20 5 EEBDRO C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000905641773 1189842372 /nfs/dbraw/zinc/84/23/72/1189842372.db2.gz JHQNOKFJMZSGLZ-GFCCVEGCSA-N 1 0 336.461 2.462 20 5 EEBDRO Cc1ccc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034642601 1196463619 /nfs/dbraw/zinc/46/36/19/1196463619.db2.gz DUCCANDPDQYUQO-BRSBDYLESA-N 1 0 345.443 2.486 20 5 EEBDRO C[NH+](C)CCCC1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828139106 1199318533 /nfs/dbraw/zinc/31/85/33/1199318533.db2.gz XYJJQRMCOSAKTE-QGZVFWFLSA-N 1 0 349.431 2.209 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000810849112 1199764138 /nfs/dbraw/zinc/76/41/38/1199764138.db2.gz ZWTVJUFKRLZKOZ-RYUDHWBXSA-N 1 0 348.355 2.150 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825926155 1199838833 /nfs/dbraw/zinc/83/88/33/1199838833.db2.gz ZWBXOUOQQKLNOJ-CQSZACIVSA-N 1 0 335.404 2.088 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169695 1199873925 /nfs/dbraw/zinc/87/39/25/1199873925.db2.gz RYDNYCWOIRWCMH-OKILXGFUSA-N 1 0 344.415 2.162 20 5 EEBDRO Cc1c(CN2CCC([NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000877746897 1200070492 /nfs/dbraw/zinc/07/04/92/1200070492.db2.gz MATOSJCCNBUNNJ-UHFFFAOYSA-N 1 0 332.448 2.115 20 5 EEBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877830188 1200134658 /nfs/dbraw/zinc/13/46/58/1200134658.db2.gz DQBFOBRPBBCUET-LCGIIJARSA-N 1 0 340.445 2.109 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000812393310 1200692111 /nfs/dbraw/zinc/69/21/11/1200692111.db2.gz LOEDTROVYXVHGE-LBPRGKRZSA-N 1 0 341.383 2.349 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879962301 1201326283 /nfs/dbraw/zinc/32/62/83/1201326283.db2.gz MHTZFZYNKFVOGS-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000866254924 1201476816 /nfs/dbraw/zinc/47/68/16/1201476816.db2.gz CRNRIGPLBQWWCJ-QMTHXVAHSA-N 1 0 333.367 2.169 20 5 EEBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866280767 1201481910 /nfs/dbraw/zinc/48/19/10/1201481910.db2.gz ZUVLGFFJTTUZPQ-LALPHHSUSA-N 1 0 326.368 2.449 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000866364869 1201500616 /nfs/dbraw/zinc/50/06/16/1201500616.db2.gz DMZUOHXCCMUAJT-CJNGLKHVSA-N 1 0 339.411 2.101 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCS(C)(=O)=O ZINC000866380033 1201503344 /nfs/dbraw/zinc/50/33/44/1201503344.db2.gz YUBWNOGTVYTRTR-LLVKDONJSA-N 1 0 332.397 2.079 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880570710 1201526340 /nfs/dbraw/zinc/52/63/40/1201526340.db2.gz ZUYRMIHTXTWLRT-INIZCTEOSA-N 1 0 340.387 2.327 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000882392429 1201864878 /nfs/dbraw/zinc/86/48/78/1201864878.db2.gz LXBGPSSHWRNURS-SNVBAGLBSA-N 1 0 349.840 2.175 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000800118511 1202209646 /nfs/dbraw/zinc/20/96/46/1202209646.db2.gz WZZVCOXFDRFNTL-UHFFFAOYSA-N 1 0 336.344 2.009 20 5 EEBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000884195121 1202259130 /nfs/dbraw/zinc/25/91/30/1202259130.db2.gz CGRNDTSVMULLQR-MRXNPFEDSA-N 1 0 348.447 2.253 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889824537 1204720046 /nfs/dbraw/zinc/72/00/46/1204720046.db2.gz YMFCMYLDIKANNK-UHFFFAOYSA-N 1 0 335.379 2.410 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095674436 1205911236 /nfs/dbraw/zinc/91/12/36/1205911236.db2.gz RKJZJQMEERMLCP-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929269859 1206461401 /nfs/dbraw/zinc/46/14/01/1206461401.db2.gz LZHXLGRRMJUDAL-KRWDZBQOSA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929302478 1206463354 /nfs/dbraw/zinc/46/33/54/1206463354.db2.gz SNSVTHKBRIOYFV-KRWDZBQOSA-N 1 0 346.431 2.116 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCO[C@H](C)C1 ZINC000931057456 1206603537 /nfs/dbraw/zinc/60/35/37/1206603537.db2.gz NPDYXBHJCRDNMG-CYBMUJFWSA-N 1 0 336.392 2.054 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932901633 1207697358 /nfs/dbraw/zinc/69/73/58/1207697358.db2.gz ATLURFXDOAJNDH-XKQJLSEDSA-N 1 0 331.416 2.499 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933242380 1207746891 /nfs/dbraw/zinc/74/68/91/1207746891.db2.gz WDTWNTPPORGUBZ-ZDUSSCGKSA-N 1 0 344.293 2.133 20 5 EEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000092295047 1214418084 /nfs/dbraw/zinc/41/80/84/1214418084.db2.gz LHRLWFWXRUPYBV-UHFFFAOYSA-N 1 0 344.419 2.382 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2)C(F)F ZINC000963452450 1217640891 /nfs/dbraw/zinc/64/08/91/1217640891.db2.gz RWFMAYZXTOFDTO-UHFFFAOYSA-N 1 0 339.342 2.377 20 5 EEBDRO CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544858 1227507461 /nfs/dbraw/zinc/50/74/61/1227507461.db2.gz BMEIGJCNRRVFPO-XMTFNYHQSA-N 1 0 343.427 2.089 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119886534 1229623359 /nfs/dbraw/zinc/62/33/59/1229623359.db2.gz VSIWBEBCHDBFQF-NSHDSACASA-N 1 0 347.462 2.009 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900371464 1234284581 /nfs/dbraw/zinc/28/45/81/1234284581.db2.gz DRBJQLIBPSWXBP-VIFPVBQESA-N 1 0 327.743 2.354 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC000902488922 1237702665 /nfs/dbraw/zinc/70/26/65/1237702665.db2.gz OKSROQCWILGMCP-ZFWWWQNUSA-N 1 0 334.420 2.434 20 5 EEBDRO O=C(C1CCC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048636514 1238157260 /nfs/dbraw/zinc/15/72/60/1238157260.db2.gz SGEOJJRVJLJCDV-IYBDPMFKSA-N 1 0 329.400 2.285 20 5 EEBDRO O=C(c1cc[nH]c1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048834929 1238850718 /nfs/dbraw/zinc/85/07/18/1238850718.db2.gz JIIJOVGUWBOXFV-IYBDPMFKSA-N 1 0 340.383 2.127 20 5 EEBDRO C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001097227410 1243852010 /nfs/dbraw/zinc/85/20/10/1243852010.db2.gz FHRSMBPQVOEZRT-BETUJISGSA-N 1 0 332.404 2.138 20 5 EEBDRO C[NH+]1CCN(c2cccnc2Nc2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001199828498 1285870823 /nfs/dbraw/zinc/87/08/23/1285870823.db2.gz KJFUYFMRNFZICG-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110591336 1290225033 /nfs/dbraw/zinc/22/50/33/1290225033.db2.gz ALEREKFXRPUOIJ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765998 1293911250 /nfs/dbraw/zinc/91/12/50/1293911250.db2.gz WCXAUWACSLEKOV-LLVKDONJSA-N 1 0 343.330 2.154 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001218857736 1297833254 /nfs/dbraw/zinc/83/32/54/1297833254.db2.gz QIYWGVDHWMLPIC-NSPYISDASA-N 1 0 333.395 2.303 20 5 EEBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)OCCC[N+](C)(C)C ZINC001224623042 1300673871 /nfs/dbraw/zinc/67/38/71/1300673871.db2.gz KMNGLCGRNYDMMH-TWMKSMIVSA-N 1 0 330.489 2.422 20 5 EEBDRO CC[NH+]1CCC(Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001226361045 1301376383 /nfs/dbraw/zinc/37/63/83/1301376383.db2.gz IWQKKUNFZAUQBZ-UHFFFAOYSA-N 1 0 338.360 2.253 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001226754847 1301540814 /nfs/dbraw/zinc/54/08/14/1301540814.db2.gz WJFDMVKTSUSUEZ-BETUJISGSA-N 1 0 325.340 2.151 20 5 EEBDRO C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228659061 1302364646 /nfs/dbraw/zinc/36/46/46/1302364646.db2.gz DFYHFKIUXZLXIZ-CHWSQXEVSA-N 1 0 329.360 2.384 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cccc2Cl)s1 ZINC001228949637 1302540694 /nfs/dbraw/zinc/54/06/94/1302540694.db2.gz INALCOJGCQCBJT-SECBINFHSA-N 1 0 329.829 2.312 20 5 EEBDRO CC[N@@H+]1CC[C@H](Oc2cc(NC(C)=O)c([N+](=O)[O-])cc2C(C)=O)C1 ZINC001229129115 1302632386 /nfs/dbraw/zinc/63/23/86/1302632386.db2.gz HOLAHEQVVMPZAP-LBPRGKRZSA-N 1 0 335.360 2.229 20 5 EEBDRO COCC[NH+]1CCC(Oc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001229404489 1302766320 /nfs/dbraw/zinc/76/63/20/1302766320.db2.gz YGPJZDNEOVFDOO-UHFFFAOYSA-N 1 0 332.360 2.028 20 5 EEBDRO CC(=O)c1ccc(C(F)(F)F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229919797 1302987041 /nfs/dbraw/zinc/98/70/41/1302987041.db2.gz AITBWMSBYZDSLU-GFCCVEGCSA-N 1 0 348.341 2.271 20 5 EEBDRO C[C@]1(CO)C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232219500 1304041850 /nfs/dbraw/zinc/04/18/50/1304041850.db2.gz UTWUFQOKLKXBGE-YLJYHZDGSA-N 1 0 337.423 2.348 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001233862968 1304619439 /nfs/dbraw/zinc/61/94/39/1304619439.db2.gz DWNRMWWNGMLASU-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1coc(CO[C@@H]2CCCCO2)cc1=O ZINC001234845298 1305038082 /nfs/dbraw/zinc/03/80/82/1305038082.db2.gz SHXKLMFPNYBBPW-CXAGYDPISA-N 1 0 326.413 2.157 20 5 EEBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000799995653 1305531666 /nfs/dbraw/zinc/53/16/66/1305531666.db2.gz RWUCVCOEPVIQQT-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H]([NH3+])CC2)c1F ZINC001246540837 1310335228 /nfs/dbraw/zinc/33/52/28/1310335228.db2.gz KGEUZGPEHMMKOF-NEPJUHHUSA-N 1 0 325.384 2.487 20 5 EEBDRO [NH3+][C@H]1CN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248567734 1310915747 /nfs/dbraw/zinc/91/57/47/1310915747.db2.gz HPMUPPBJESHQBR-OCCSQVGLSA-N 1 0 332.367 2.195 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603624 1315219316 /nfs/dbraw/zinc/21/93/16/1315219316.db2.gz GFKQDTULSYWFPJ-JTQLQIEISA-N 1 0 329.784 2.280 20 5 EEBDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000839863754 1315256279 /nfs/dbraw/zinc/25/62/79/1315256279.db2.gz KCHHXLLIEOIAGT-UFBFGSQYSA-N 1 0 349.284 2.405 20 5 EEBDRO COC[C@@]1(C)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000840107542 1315296881 /nfs/dbraw/zinc/29/68/81/1315296881.db2.gz ZKINGJPZFNNYFX-INIZCTEOSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841856547 1315624510 /nfs/dbraw/zinc/62/45/10/1315624510.db2.gz RYHXIOMYNZDBQN-OAHLLOKOSA-N 1 0 338.795 2.143 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(F)cc1 ZINC000843076337 1315836156 /nfs/dbraw/zinc/83/61/56/1315836156.db2.gz YNROWRAKIMOPSE-YMRXKLBXSA-N 1 0 334.347 2.479 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000843099767 1315841958 /nfs/dbraw/zinc/84/19/58/1315841958.db2.gz FTXYAJNGQFNPRG-VHSSKADRSA-N 1 0 330.384 2.210 20 5 EEBDRO Nc1ccc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1[N+](=O)[O-] ZINC000843169402 1315857913 /nfs/dbraw/zinc/85/79/13/1315857913.db2.gz GACWQDXPWXFECF-CLYYMRHHSA-N 1 0 329.360 2.300 20 5 EEBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843349351 1315896827 /nfs/dbraw/zinc/89/68/27/1315896827.db2.gz VYYYAJQSERIPMZ-QWRGUYRKSA-N 1 0 340.811 2.117 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000843355206 1315898324 /nfs/dbraw/zinc/89/83/24/1315898324.db2.gz WATDUJGHELMXMY-UHFFFAOYSA-N 1 0 336.348 2.153 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843365073 1315901449 /nfs/dbraw/zinc/90/14/49/1315901449.db2.gz BIRMWULWPWYCAG-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO COc1ccc(OCCNc2ccc(OCC[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000843365882 1315901499 /nfs/dbraw/zinc/90/14/99/1315901499.db2.gz HNZQGWJDBQJSLD-UHFFFAOYSA-N 1 0 347.371 2.432 20 5 EEBDRO COc1ccccc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150169604 1316189210 /nfs/dbraw/zinc/18/92/10/1316189210.db2.gz DFVUTIFUUBWLKG-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO CC(C)n1cccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151213487 1316478129 /nfs/dbraw/zinc/47/81/29/1316478129.db2.gz OEPISLMQMCFYJV-UHFFFAOYSA-N 1 0 330.388 2.497 20 5 EEBDRO CN(C)c1ccccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153414363 1316825590 /nfs/dbraw/zinc/82/55/90/1316825590.db2.gz XKNCZOJVFIFGDG-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO Cc1ccc(-c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)nn2)cc1[N+](=O)[O-] ZINC001155038712 1317427999 /nfs/dbraw/zinc/42/79/99/1317427999.db2.gz WBGUNDJLEXXITC-STQMWFEESA-N 1 0 331.351 2.472 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001155523379 1317637110 /nfs/dbraw/zinc/63/71/10/1317637110.db2.gz PWTZERFUXUYXQZ-XHBSWPGZSA-N 1 0 328.372 2.179 20 5 EEBDRO CSc1nc(Cl)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001155586565 1317660884 /nfs/dbraw/zinc/66/08/84/1317660884.db2.gz ZINSVPCJEMAVKG-CSMHCCOUSA-N 1 0 329.813 2.170 20 5 EEBDRO CC(=O)N1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254470762 1318083200 /nfs/dbraw/zinc/08/32/00/1318083200.db2.gz TYAWLDPANLTMNC-OAHLLOKOSA-N 1 0 346.431 2.022 20 5 EEBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254547796 1318118905 /nfs/dbraw/zinc/11/89/05/1318118905.db2.gz XDZYJEDNUZPHCB-YUELXQCFSA-N 1 0 336.388 2.084 20 5 EEBDRO COC(=O)CC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001254549722 1318118970 /nfs/dbraw/zinc/11/89/70/1318118970.db2.gz YABREKFPTZHMGG-ZDUSSCGKSA-N 1 0 336.388 2.228 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(S(C)(=O)=O)CC1 ZINC001254562729 1318122426 /nfs/dbraw/zinc/12/24/26/1318122426.db2.gz OZWXMEHKGIUEPZ-LBPRGKRZSA-N 1 0 326.418 2.035 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001254571242 1318126782 /nfs/dbraw/zinc/12/67/82/1318126782.db2.gz RDSXXRWBPPPPRS-DOTOQJQBSA-N 1 0 333.432 2.322 20 5 EEBDRO CC(=O)N1CC[C@@H]([N@@H+](C(C)C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605902 1318141608 /nfs/dbraw/zinc/14/16/08/1318141608.db2.gz CLWBTSIPAMCQNY-MSOLQXFVSA-N 1 0 331.416 2.393 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)co1 ZINC001156917776 1318286571 /nfs/dbraw/zinc/28/65/71/1318286571.db2.gz ZCPYVEHOJHXEJD-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC001256082815 1318643667 /nfs/dbraw/zinc/64/36/67/1318643667.db2.gz KLRNORYEBHEPAQ-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001157743096 1318830487 /nfs/dbraw/zinc/83/04/87/1318830487.db2.gz HHDGGRDATMMARH-PHDIDXHHSA-N 1 0 339.705 2.373 20 5 EEBDRO Nc1cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)ncc1[N+](=O)[O-] ZINC001159031873 1319568963 /nfs/dbraw/zinc/56/89/63/1319568963.db2.gz NXJBCWOKDPQNOL-UHFFFAOYSA-N 1 0 325.372 2.171 20 5 EEBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001159567905 1319894119 /nfs/dbraw/zinc/89/41/19/1319894119.db2.gz SXSGDDXSSSZTKP-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO COc1ncnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001159948449 1320030760 /nfs/dbraw/zinc/03/07/60/1320030760.db2.gz KFNYSQQNKBEXSA-JTQLQIEISA-N 1 0 339.355 2.153 20 5 EEBDRO [NH3+]CCc1cc2ccccc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160125213 1320075893 /nfs/dbraw/zinc/07/58/93/1320075893.db2.gz YHKOZFUIWLGUBU-UHFFFAOYSA-N 1 0 327.300 2.343 20 5 EEBDRO Cc1nc(Cl)nc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160194077 1320094410 /nfs/dbraw/zinc/09/44/10/1320094410.db2.gz DFDQUWSXUIXXEU-VIFPVBQESA-N 1 0 335.751 2.204 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001160337843 1320137955 /nfs/dbraw/zinc/13/79/55/1320137955.db2.gz NKXHRRJPPHBRNR-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO Cc1cc(N[C@@]2(C[NH3+])CN3CCC2CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001160510857 1320179932 /nfs/dbraw/zinc/17/99/32/1320179932.db2.gz KQVSVYBQZJWJIK-SFHVURJKSA-N 1 0 341.415 2.286 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162033356 1320727038 /nfs/dbraw/zinc/72/70/38/1320727038.db2.gz UPJSWJOFGMOGIN-UHFFFAOYSA-N 1 0 327.388 2.427 20 5 EEBDRO [NH3+]Cc1nc2cnccc2n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001162216070 1320786004 /nfs/dbraw/zinc/78/60/04/1320786004.db2.gz WVPMHHCEKDPWRP-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162982084 1321003726 /nfs/dbraw/zinc/00/37/26/1321003726.db2.gz MFWPIDMZTMZWCP-UHFFFAOYSA-N 1 0 334.376 2.111 20 5 EEBDRO COc1ccc([N+](=O)[O-])nc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163056315 1321024875 /nfs/dbraw/zinc/02/48/75/1321024875.db2.gz DETRGNFJDJJFDD-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163238825 1321074662 /nfs/dbraw/zinc/07/46/62/1321074662.db2.gz OBXIHFWEGFVXQC-LLVKDONJSA-N 1 0 330.369 2.156 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CO[C@@]3(C1)CCC[NH2+]C3)CCCC2 ZINC001163275882 1321085515 /nfs/dbraw/zinc/08/55/15/1321085515.db2.gz BCGPQSHPBMTOKQ-SCLBCKFNSA-N 1 0 346.431 2.439 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650951 1321181857 /nfs/dbraw/zinc/18/18/57/1321181857.db2.gz XCSCFPZSZUBEBN-SWLSCSKDSA-N 1 0 349.416 2.313 20 5 EEBDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001163691973 1321193745 /nfs/dbraw/zinc/19/37/45/1321193745.db2.gz VWHJXBQMWLXARA-UHFFFAOYSA-N 1 0 345.403 2.180 20 5 EEBDRO COc1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)cc1F ZINC001164212763 1321320146 /nfs/dbraw/zinc/32/01/46/1321320146.db2.gz BNIGNHOJBBCTFZ-UHFFFAOYSA-N 1 0 340.399 2.180 20 5 EEBDRO O=C(NCCC1(C[NH2+]CCC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494442 1321395988 /nfs/dbraw/zinc/39/59/88/1321395988.db2.gz JVSCUZCMLJPNIW-HZPDHXFCSA-N 1 0 337.464 2.498 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@H]43)nn2)ccc1F ZINC001165397808 1321516364 /nfs/dbraw/zinc/51/63/64/1321516364.db2.gz XKZLSYMDOUMUOX-UKRRQHHQSA-N 1 0 329.335 2.132 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](CCO)C(C)C)CC2)n1 ZINC001262706387 1322354303 /nfs/dbraw/zinc/35/43/03/1322354303.db2.gz MHJKMSYVDJNVJS-UHFFFAOYSA-N 1 0 336.436 2.217 20 5 EEBDRO Cc1ccc(CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC001306888145 1331494880 /nfs/dbraw/zinc/49/48/80/1331494880.db2.gz KHABVIBSBVCMKV-OAHLLOKOSA-N 1 0 340.383 2.441 20 5 EEBDRO CC[N@H+](C)[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001308175682 1331569335 /nfs/dbraw/zinc/56/93/35/1331569335.db2.gz FJGXHTCGBUBQON-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717996 1332940267 /nfs/dbraw/zinc/94/02/67/1332940267.db2.gz XJIIWRDBQSVRLQ-VXGBXAGGSA-N 1 0 338.360 2.043 20 5 EEBDRO COCCn1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC001330352968 1334827927 /nfs/dbraw/zinc/82/79/27/1334827927.db2.gz DVFLOZMIHKMBLJ-GFCCVEGCSA-N 1 0 336.367 2.298 20 5 EEBDRO Cc1nc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001330692390 1334887815 /nfs/dbraw/zinc/88/78/15/1334887815.db2.gz MENMDWXIEIONMF-INIZCTEOSA-N 1 0 341.415 2.446 20 5 EEBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001330930355 1334928933 /nfs/dbraw/zinc/92/89/33/1334928933.db2.gz GYVMRXULVPTXFF-ZDUSSCGKSA-N 1 0 347.396 2.452 20 5 EEBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001336794994 1336596378 /nfs/dbraw/zinc/59/63/78/1336596378.db2.gz QESIZHDHQINWEO-DLBZAZTESA-N 1 0 334.347 2.265 20 5 EEBDRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001576008771 1343942396 /nfs/dbraw/zinc/94/23/96/1343942396.db2.gz SYVPKWIYNHBQIU-SJCJKPOMSA-N 1 0 328.372 2.084 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001577396755 1344140669 /nfs/dbraw/zinc/14/06/69/1344140669.db2.gz DUHCRWUYGPIKNP-SSDOTTSWSA-N 1 0 332.763 2.217 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3cc(CC[NH3+])ccc32)n1 ZINC001579642707 1344402349 /nfs/dbraw/zinc/40/23/49/1344402349.db2.gz RYSGNMOZEMBZFB-UHFFFAOYSA-N 1 0 340.383 2.392 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)n1 ZINC001579642704 1344402423 /nfs/dbraw/zinc/40/24/23/1344402423.db2.gz RXYFABCIZIMLAN-UHFFFAOYSA-N 1 0 328.328 2.033 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1F ZINC001579642362 1344402445 /nfs/dbraw/zinc/40/24/45/1344402445.db2.gz BVSCAZYVRFNSST-VIFPVBQESA-N 1 0 327.331 2.381 20 5 EEBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580297226 1344507456 /nfs/dbraw/zinc/50/74/56/1344507456.db2.gz LEANUPKQLJDWJT-UHFFFAOYSA-N 1 0 344.293 2.429 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC001580493611 1344525872 /nfs/dbraw/zinc/52/58/72/1344525872.db2.gz ISMJOUNFZDKYMY-RJNRQISESA-N 1 0 339.355 2.114 20 5 EEBDRO O=C(N[C@H]1C[NH2+]CC12CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001580623376 1344546017 /nfs/dbraw/zinc/54/60/17/1344546017.db2.gz SDTDUJRXPLNVPX-NSHDSACASA-N 1 0 329.278 2.095 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590258909 1349236398 /nfs/dbraw/zinc/23/63/98/1349236398.db2.gz FOYNSIOUNSAPLF-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603904705 1350798932 /nfs/dbraw/zinc/79/89/32/1350798932.db2.gz AWIHORYKEOVJTJ-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564282 1368036647 /nfs/dbraw/zinc/03/66/47/1368036647.db2.gz DUTMFPJRVHDJGQ-SMDDNHRTSA-N 1 0 349.362 2.407 20 5 EEBDRO [NH3+]C[C@@]12CC[C@H]1CCN2c1ncc([N+](=O)[O-])cc1Br ZINC000900445179 1369923852 /nfs/dbraw/zinc/92/38/52/1369923852.db2.gz KXQFFQOWXCAKGI-UFBFGSQYSA-N 1 0 327.182 2.070 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)sc2c1 ZINC000829010201 1372260815 /nfs/dbraw/zinc/26/08/15/1372260815.db2.gz KWOATMQVDABORB-TXEJJXNPSA-N 1 0 334.401 2.480 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576381724 1403569573 /nfs/dbraw/zinc/56/95/73/1403569573.db2.gz FHXWKFHRUOKYNC-CHWSQXEVSA-N 1 0 341.795 2.259 20 5 EEBDRO C[C@@H]1[NH2+]CCn2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC001576895001 1403615834 /nfs/dbraw/zinc/61/58/34/1403615834.db2.gz UURVNHMAAPDXSY-VIFPVBQESA-N 1 0 340.343 2.189 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC001578056760 1403715749 /nfs/dbraw/zinc/71/57/49/1403715749.db2.gz VZBPRQYTNNXTGF-BETUJISGSA-N 1 0 333.388 2.411 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165029897 721853953 /nfs/dbraw/zinc/85/39/53/721853953.db2.gz PUYZGBKPDNSVLO-UHFFFAOYSA-N 1 0 325.800 2.411 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165032026 721858108 /nfs/dbraw/zinc/85/81/08/721858108.db2.gz JXINBDJIAZQGND-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[NH+]1CCC(ONC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000846650036 790311117 /nfs/dbraw/zinc/31/11/17/790311117.db2.gz LWXRRBLAFZKJQJ-UHFFFAOYSA-N 1 0 345.758 2.072 20 5 EEBDRO Cc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001167071532 757133996 /nfs/dbraw/zinc/13/39/96/757133996.db2.gz RXFMNMWUHSZJRB-UHFFFAOYSA-N 1 0 325.372 2.466 20 5 EEBDRO CCCn1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001167451680 759538221 /nfs/dbraw/zinc/53/82/21/759538221.db2.gz STEHRUBLXSGVCA-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO O=C(c1cccnc1)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980628279 775012862 /nfs/dbraw/zinc/01/28/62/775012862.db2.gz VIZWDGPUJPIUBF-UHFFFAOYSA-N 1 0 340.383 2.338 20 5 EEBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950055673 775877751 /nfs/dbraw/zinc/87/77/51/775877751.db2.gz KLYCNRYPEPGICC-HZPDHXFCSA-N 1 0 337.464 2.401 20 5 EEBDRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000893626014 776274093 /nfs/dbraw/zinc/27/40/93/776274093.db2.gz HRFZGFYSPCBOIL-IOASZLSFSA-N 1 0 346.431 2.480 20 5 EEBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC001101228485 781031864 /nfs/dbraw/zinc/03/18/64/781031864.db2.gz BMHYYRUSASOQED-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO COC(=O)c1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818946124 785336966 /nfs/dbraw/zinc/33/69/66/785336966.db2.gz YQKSGLYZYUXWAW-KRWDZBQOSA-N 1 0 344.367 2.247 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000818967944 785363745 /nfs/dbraw/zinc/36/37/45/785363745.db2.gz GIHVOLMNSSAHSC-MRXNPFEDSA-N 1 0 335.404 2.057 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000819175864 785447860 /nfs/dbraw/zinc/44/78/60/785447860.db2.gz CEIKRJMXZLGHOO-ZDUSSCGKSA-N 1 0 344.293 2.133 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000819284379 785486422 /nfs/dbraw/zinc/48/64/22/785486422.db2.gz NAQRFDJMSHGGQS-OAHLLOKOSA-N 1 0 348.428 2.343 20 5 EEBDRO C[S@](=O)Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819311170 785489966 /nfs/dbraw/zinc/48/99/66/785489966.db2.gz LICWEZZEGNDIHJ-OSPHWJPCSA-N 1 0 348.424 2.297 20 5 EEBDRO Nc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000823985974 788009594 /nfs/dbraw/zinc/00/95/94/788009594.db2.gz FWGHZGKIROHGGT-GFCCVEGCSA-N 1 0 333.392 2.127 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000922938835 788362556 /nfs/dbraw/zinc/36/25/56/788362556.db2.gz IWTZDNRMSFZTOI-LBPRGKRZSA-N 1 0 332.303 2.091 20 5 EEBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3c[n+]([O-])ccc3[N+](=O)[O-])c2c1 ZINC001171167571 789628256 /nfs/dbraw/zinc/62/82/56/789628256.db2.gz IERVTUKAZZLTIM-GFCCVEGCSA-N 1 0 326.356 2.370 20 5 EEBDRO CC(C)c1ocnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146863813 791532293 /nfs/dbraw/zinc/53/22/93/791532293.db2.gz IGAJSNOREBGTIP-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO CC(=O)Nc1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171394282 794592875 /nfs/dbraw/zinc/59/28/75/794592875.db2.gz PPGPFXJVSGWIFP-ZDUSSCGKSA-N 1 0 342.355 2.411 20 5 EEBDRO [NH3+]Cc1nccnc1Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001171448309 796362319 /nfs/dbraw/zinc/36/23/19/796362319.db2.gz ZBBBPIHDKLEPNY-UHFFFAOYSA-N 1 0 339.315 2.169 20 5 EEBDRO CC(C)(C(=O)NCCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001094700729 796540847 /nfs/dbraw/zinc/54/08/47/796540847.db2.gz ZTQOEHRUABIWLT-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCC(F)(F)F ZINC001172900055 797129204 /nfs/dbraw/zinc/12/92/04/797129204.db2.gz BHIMTXRSACTNAP-LBPRGKRZSA-N 1 0 345.321 2.110 20 5 EEBDRO COC(=O)[C@]1(F)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907762 797133295 /nfs/dbraw/zinc/13/32/95/797133295.db2.gz HZJNBBGVSHRELJ-PBHICJAKSA-N 1 0 336.363 2.429 20 5 EEBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910936 797169684 /nfs/dbraw/zinc/16/96/84/797169684.db2.gz DWNDROZNMSGSCM-AWEZNQCLSA-N 1 0 330.388 2.427 20 5 EEBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccco1 ZINC001172912712 797170617 /nfs/dbraw/zinc/17/06/17/797170617.db2.gz OPZHJTNNEZKCAZ-HNNXBMFYSA-N 1 0 343.383 2.341 20 5 EEBDRO CC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913548 797172190 /nfs/dbraw/zinc/17/21/90/797172190.db2.gz RORGHEZIZJXKJO-WMZOPIPTSA-N 1 0 331.416 2.395 20 5 EEBDRO C[NH+](C)CCC(=O)NCCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094993129 797187692 /nfs/dbraw/zinc/18/76/92/797187692.db2.gz IVDCCBQXLTWCMX-UHFFFAOYSA-N 1 0 337.424 2.030 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCOC3)CC2)c(F)c1 ZINC001173010723 797195849 /nfs/dbraw/zinc/19/58/49/797195849.db2.gz HZIOMMLUQBRGEI-LLVKDONJSA-N 1 0 341.358 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@@H]2CC[N@H+](C)C2)c1F ZINC001173190511 797281763 /nfs/dbraw/zinc/28/17/63/797281763.db2.gz ULDKJCQHFMWJNS-NWDGAFQWSA-N 1 0 325.384 2.309 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1N1CCOCC1 ZINC001173222724 797305156 /nfs/dbraw/zinc/30/51/56/797305156.db2.gz YVDGRCZPRJFJBO-ZTFGCOKTSA-N 1 0 333.432 2.369 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001173210058 797313978 /nfs/dbraw/zinc/31/39/78/797313978.db2.gz HJAHQEGGTPQIDN-UKRRQHHQSA-N 1 0 327.388 2.184 20 5 EEBDRO CCn1cccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176194865 798371887 /nfs/dbraw/zinc/37/18/87/798371887.db2.gz SXVDMVZMLVGSEL-UHFFFAOYSA-N 1 0 330.388 2.326 20 5 EEBDRO Cc1ccccc1CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002787167 798609515 /nfs/dbraw/zinc/60/95/15/798609515.db2.gz HGPXFMSNIIPRBT-QZTJIDSGSA-N 1 0 345.443 2.173 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC001178415651 799469511 /nfs/dbraw/zinc/46/95/11/799469511.db2.gz SRKUEQRWUXUATN-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc(F)c[nH]1 ZINC001003328134 799514635 /nfs/dbraw/zinc/51/46/35/799514635.db2.gz WSERNKRBBCVKES-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO COCCC1(NC(C)=O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001150855463 799822944 /nfs/dbraw/zinc/82/29/44/799822944.db2.gz XWLHOYYWCHNLDW-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922591358 801437694 /nfs/dbraw/zinc/43/76/94/801437694.db2.gz DQBKKYZOSVABRM-CYBMUJFWSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1ocnc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086038137 801990720 /nfs/dbraw/zinc/99/07/20/801990720.db2.gz KVMCPZVCFIJQRG-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001168737037 802211983 /nfs/dbraw/zinc/21/19/83/802211983.db2.gz NFZXGQQDBROZNE-UHFFFAOYSA-N 1 0 331.298 2.208 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001086150966 802310274 /nfs/dbraw/zinc/31/02/74/802310274.db2.gz HYQVMBRFQNKKJG-VDISTLRHSA-N 1 0 346.362 2.360 20 5 EEBDRO Cc1cnoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086242970 802582037 /nfs/dbraw/zinc/58/20/37/802582037.db2.gz LZYDSDYPPOCGMM-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168978252 803543864 /nfs/dbraw/zinc/54/38/64/803543864.db2.gz QHBWNEXYLVCREX-XIRDDKMYSA-N 1 0 331.416 2.326 20 5 EEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC001168963662 803552250 /nfs/dbraw/zinc/55/22/50/803552250.db2.gz PLQYUNFQWSWCPA-OBJOEFQTSA-N 1 0 326.418 2.186 20 5 EEBDRO COc1cccc(Cn2cnc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2)c1 ZINC001168998805 803564050 /nfs/dbraw/zinc/56/40/50/803564050.db2.gz QFPKUPIFOSFNTI-JKSUJKDBSA-N 1 0 344.415 2.475 20 5 EEBDRO COC(=O)c1ccccc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039791 803582662 /nfs/dbraw/zinc/58/26/62/803582662.db2.gz TZGCDILIGKETFO-LSDHHAIUSA-N 1 0 347.415 2.041 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001169018999 803587753 /nfs/dbraw/zinc/58/77/53/803587753.db2.gz FYGIIMCYXRMEMC-XOYOTBSWSA-N 1 0 330.432 2.176 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169025154 803590765 /nfs/dbraw/zinc/59/07/65/803590765.db2.gz SNIMZVFJFUTYAS-DFGXFYAUSA-N 1 0 347.415 2.139 20 5 EEBDRO O=C(c1ccsc1)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169026457 803592398 /nfs/dbraw/zinc/59/23/98/803592398.db2.gz XGLRYJCWWNHJAZ-ARLBYUKCSA-N 1 0 349.456 2.197 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054371 803596485 /nfs/dbraw/zinc/59/64/85/803596485.db2.gz LPVMQKUDXSRIMZ-CYZMBNFOSA-N 1 0 343.225 2.338 20 5 EEBDRO COC(=O)Cc1ccc(-n2ncc3c2cccc3C[NH3+])cc1[N+](=O)[O-] ZINC001169192485 803645333 /nfs/dbraw/zinc/64/53/33/803645333.db2.gz NCVQNMKGZWYDSV-UHFFFAOYSA-N 1 0 340.339 2.108 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525904 807579038 /nfs/dbraw/zinc/57/90/38/807579038.db2.gz FXYXJWPSQPSEJR-LLVKDONJSA-N 1 0 339.359 2.004 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC001170299221 809870612 /nfs/dbraw/zinc/87/06/12/809870612.db2.gz SRXRYPXPOLJEBH-GFCCVEGCSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344413 809916356 /nfs/dbraw/zinc/91/63/56/809916356.db2.gz BUZABINFALJLBQ-ZFWWWQNUSA-N 1 0 345.403 2.463 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000808131640 812467435 /nfs/dbraw/zinc/46/74/35/812467435.db2.gz PZBJDAYIQXLZBG-UHFFFAOYSA-N 1 0 330.379 2.193 20 5 EEBDRO [NH3+]CC[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001522328809 1119358762 /nfs/dbraw/zinc/35/87/62/1119358762.db2.gz UPVFCPGKNMRTOB-ZDUSSCGKSA-N 1 0 341.367 2.453 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001526956673 1120627436 /nfs/dbraw/zinc/62/74/36/1120627436.db2.gz IIMMRIIKQPQZOH-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171679284 529467282 /nfs/dbraw/zinc/46/72/82/529467282.db2.gz WTTRDTBILFGGCD-AWEZNQCLSA-N 1 0 345.403 2.221 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000175079801 231380919 /nfs/dbraw/zinc/38/09/19/231380919.db2.gz STDSNBXHWHVBOG-QWHCGFSZSA-N 1 0 341.433 2.054 20 5 EEBDRO C[N@H+](CCCOc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159716427 529896242 /nfs/dbraw/zinc/89/62/42/529896242.db2.gz WJOBPOHHZJVMLN-UHFFFAOYSA-N 1 0 331.372 2.157 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416042513 529935062 /nfs/dbraw/zinc/93/50/62/529935062.db2.gz KBNBZYSLGKGJDV-GFCCVEGCSA-N 1 0 348.325 2.058 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1C ZINC000184093251 235304098 /nfs/dbraw/zinc/30/40/98/235304098.db2.gz QSGNWPSXTZGGEO-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCC1 ZINC000186181344 235841759 /nfs/dbraw/zinc/84/17/59/235841759.db2.gz ICMQRLVTGDHYTC-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO CN(C)C1(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000186993398 236089476 /nfs/dbraw/zinc/08/94/76/236089476.db2.gz XQXCKCSHFKEYCD-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106864928 219711073 /nfs/dbraw/zinc/71/10/73/219711073.db2.gz KZFLMFSQIMOBBB-CJNGLKHVSA-N 1 0 335.404 2.467 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000129551926 223068321 /nfs/dbraw/zinc/06/83/21/223068321.db2.gz VSRNQGUYAUAZDM-UHFFFAOYSA-N 1 0 349.435 2.057 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422867684 240266431 /nfs/dbraw/zinc/26/64/31/240266431.db2.gz SXYCOFXZIOKSRK-XHDPSFHLSA-N 1 0 349.387 2.019 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423497385 240504704 /nfs/dbraw/zinc/50/47/04/240504704.db2.gz YSZYMDYOGYRKEI-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438280815 242001689 /nfs/dbraw/zinc/00/16/89/242001689.db2.gz IROPBGYDCWJOMW-DDJMYBDESA-N 1 0 333.432 2.385 20 5 EEBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449538103 242559814 /nfs/dbraw/zinc/55/98/14/242559814.db2.gz GZLDYVGVQYZRBX-ONGXEEELSA-N 1 0 348.346 2.496 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000451959394 243324669 /nfs/dbraw/zinc/32/46/69/243324669.db2.gz AVQSSFVOJAZYBO-INIZCTEOSA-N 1 0 335.429 2.413 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456268221 244203144 /nfs/dbraw/zinc/20/31/44/244203144.db2.gz IXZLSCOENLMZPR-ZDUSSCGKSA-N 1 0 329.360 2.428 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000459453751 245128199 /nfs/dbraw/zinc/12/81/99/245128199.db2.gz CNFHSCCMNPWBNJ-ZIAGYGMSSA-N 1 0 337.420 2.397 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079762284 217253106 /nfs/dbraw/zinc/25/31/06/217253106.db2.gz PRIHNYZHEURFKD-UHFFFAOYSA-N 1 0 344.209 2.429 20 5 EEBDRO COc1cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000493916162 246850485 /nfs/dbraw/zinc/85/04/85/246850485.db2.gz HGFWGDIOUUNRNU-AOOOYVTPSA-N 1 0 345.346 2.387 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000495172253 247077906 /nfs/dbraw/zinc/07/79/06/247077906.db2.gz IWVADVQHMJEZHZ-CYBMUJFWSA-N 1 0 334.420 2.442 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000265144931 247245670 /nfs/dbraw/zinc/24/56/70/247245670.db2.gz RHPLVLATDCDRHQ-HOTGVXAUSA-N 1 0 333.388 2.485 20 5 EEBDRO CC[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266480917 248323122 /nfs/dbraw/zinc/32/31/22/248323122.db2.gz TUIIDWHVZWHONG-HNNXBMFYSA-N 1 0 338.795 2.328 20 5 EEBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266588195 248373092 /nfs/dbraw/zinc/37/30/92/248373092.db2.gz KWXIJOVVCKPDSZ-CSMYWGQOSA-N 1 0 348.378 2.374 20 5 EEBDRO CC[NH+](CC)CCSCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182066349 284655380 /nfs/dbraw/zinc/65/53/80/284655380.db2.gz XCNXWPPXIPBUOZ-UHFFFAOYSA-N 1 0 346.474 2.444 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000415291987 532955642 /nfs/dbraw/zinc/95/56/42/532955642.db2.gz GXBLNRKPYHTGLB-INIZCTEOSA-N 1 0 336.392 2.102 20 5 EEBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000117336659 221055796 /nfs/dbraw/zinc/05/57/96/221055796.db2.gz ZUKLQBGRMUFNAC-GFCCVEGCSA-N 1 0 349.387 2.392 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000273504458 256302343 /nfs/dbraw/zinc/30/23/43/256302343.db2.gz VWXLZORWPJGXHJ-STQMWFEESA-N 1 0 342.396 2.243 20 5 EEBDRO COCCOCCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274669795 256378236 /nfs/dbraw/zinc/37/82/36/256378236.db2.gz OXRJLPIHHCSKEI-CQSZACIVSA-N 1 0 326.393 2.315 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248544208 160350015 /nfs/dbraw/zinc/35/00/15/160350015.db2.gz IVSAVWMNFQHNJT-MDZLAQPJSA-N 1 0 332.360 2.409 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000191090553 152237859 /nfs/dbraw/zinc/23/78/59/152237859.db2.gz AVQYIWOBLNVAMT-AWEZNQCLSA-N 1 0 333.388 2.222 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000359440734 153363869 /nfs/dbraw/zinc/36/38/69/153363869.db2.gz PPVMMTDZNZMDFA-CYBMUJFWSA-N 1 0 335.404 2.374 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371088572 153906515 /nfs/dbraw/zinc/90/65/15/153906515.db2.gz QWULDIABFTVEKH-INIZCTEOSA-N 1 0 346.431 2.468 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377195385 154081867 /nfs/dbraw/zinc/08/18/67/154081867.db2.gz FAKVZZKYMCQPQM-GFCCVEGCSA-N 1 0 334.376 2.205 20 5 EEBDRO CC[N@H+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000102549491 159265888 /nfs/dbraw/zinc/26/58/88/159265888.db2.gz YGTBNEUJFMOPMA-UHFFFAOYSA-N 1 0 337.424 2.036 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177096 159298782 /nfs/dbraw/zinc/29/87/82/159298782.db2.gz KXVVUGVPUPMWLV-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174314518 159801930 /nfs/dbraw/zinc/80/19/30/159801930.db2.gz CPWCFWWKWNTUPA-STQMWFEESA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2[C@@H](C)CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000245711789 160249366 /nfs/dbraw/zinc/24/93/66/160249366.db2.gz ZOGKDFBHFUOBDA-JSGCOSHPSA-N 1 0 335.404 2.467 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342413235 161063383 /nfs/dbraw/zinc/06/33/83/161063383.db2.gz AXWXSXMKFAGJRL-BXUZGUMPSA-N 1 0 326.418 2.241 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499981 161070177 /nfs/dbraw/zinc/07/01/77/161070177.db2.gz OSHRQNAHIPURON-MLGOLLRUSA-N 1 0 342.399 2.148 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344403926 161223894 /nfs/dbraw/zinc/22/38/94/161223894.db2.gz WZCCVDLZLFOXOZ-LLVKDONJSA-N 1 0 325.796 2.343 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000346326222 161363543 /nfs/dbraw/zinc/36/35/43/161363543.db2.gz KDEVABHUHBRQRJ-DVOMOZLQSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000346327855 161363723 /nfs/dbraw/zinc/36/37/23/161363723.db2.gz IRNOIJYWMPOLFB-WWGRRREGSA-N 1 0 334.420 2.384 20 5 EEBDRO COc1c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000356268995 163386761 /nfs/dbraw/zinc/38/67/61/163386761.db2.gz STZJSDJVEZWUBW-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO COc1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cccc1[N+](=O)[O-] ZINC000356270872 163387748 /nfs/dbraw/zinc/38/77/48/163387748.db2.gz AHIFTQNRLXGXEH-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000359876921 164189821 /nfs/dbraw/zinc/18/98/21/164189821.db2.gz PTKQCCHFOBNVID-MRXNPFEDSA-N 1 0 338.404 2.259 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360743701 164373395 /nfs/dbraw/zinc/37/33/95/164373395.db2.gz GASIJNIJKXRCHQ-UHFFFAOYSA-N 1 0 343.387 2.485 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364062186 165012878 /nfs/dbraw/zinc/01/28/78/165012878.db2.gz QZEQWDIKEFDNQO-QGZVFWFLSA-N 1 0 346.431 2.484 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368267711 166079437 /nfs/dbraw/zinc/07/94/37/166079437.db2.gz SGROSSBPQQHIHE-KQTLUZQSSA-N 1 0 336.436 2.480 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000369785052 166329522 /nfs/dbraw/zinc/32/95/22/166329522.db2.gz UMIRCMVTYWEMAZ-RHSMWYFYSA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCC[N@@H+]2C)CC1 ZINC000374986091 167079274 /nfs/dbraw/zinc/07/92/74/167079274.db2.gz IBSRVQOAZKLXKP-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000122181238 222032027 /nfs/dbraw/zinc/03/20/27/222032027.db2.gz ICORSAMKCGPHSO-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1C ZINC000261808232 268672835 /nfs/dbraw/zinc/67/28/35/268672835.db2.gz VNKNKZUIUACSOQ-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277654129 269167838 /nfs/dbraw/zinc/16/78/38/269167838.db2.gz SUZUNRGVFPOPBW-KCJUWKMLSA-N 1 0 331.294 2.341 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000278303599 269222435 /nfs/dbraw/zinc/22/24/35/269222435.db2.gz SFOMADSYILTHHP-UONOGXRCSA-N 1 0 346.431 2.455 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278691336 269240333 /nfs/dbraw/zinc/24/03/33/269240333.db2.gz ZKIQSGVSUIRJDD-QGZVFWFLSA-N 1 0 343.383 2.048 20 5 EEBDRO COc1cc(C[NH2+]CCC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000279354785 269273798 /nfs/dbraw/zinc/27/37/98/269273798.db2.gz GMPONAXVQYTDOT-SNVBAGLBSA-N 1 0 348.346 2.498 20 5 EEBDRO C[C@@H]1OCC[C@]12CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270806 269344933 /nfs/dbraw/zinc/34/49/33/269344933.db2.gz CYRZDXGTQVPBAW-ZBEGNZNMSA-N 1 0 333.344 2.116 20 5 EEBDRO Cc1cc(OCC(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000280659262 269382834 /nfs/dbraw/zinc/38/28/34/269382834.db2.gz WZEUQZHWRZRLPU-UHFFFAOYSA-N 1 0 335.404 2.130 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280732079 269387902 /nfs/dbraw/zinc/38/79/02/269387902.db2.gz YWKYTYBYKLTDLM-GASCZTMLSA-N 1 0 340.383 2.127 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261596942 273501598 /nfs/dbraw/zinc/50/15/98/273501598.db2.gz YWSQXYFOIYGXFT-NSHDSACASA-N 1 0 344.209 2.461 20 5 EEBDRO CC(C)[C@@](C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000312808688 273551392 /nfs/dbraw/zinc/55/13/92/273551392.db2.gz RQEPQUZYCOAJES-CYBMUJFWSA-N 1 0 344.209 2.347 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416299058 273791049 /nfs/dbraw/zinc/79/10/49/273791049.db2.gz FIDIDLVSLQDZGZ-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000030338377 273910505 /nfs/dbraw/zinc/91/05/05/273910505.db2.gz NQHGDHTYNPFHLQ-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184170309 274019400 /nfs/dbraw/zinc/01/94/00/274019400.db2.gz ZMKJDAPNZVEURO-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO CO[C@@H]1C[C@@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000345129591 274069184 /nfs/dbraw/zinc/06/91/84/274069184.db2.gz GRTBXYAJKIRVIV-NWDGAFQWSA-N 1 0 327.812 2.399 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271366238 274125000 /nfs/dbraw/zinc/12/50/00/274125000.db2.gz ZGUCDRBQXWIDCV-UHFFFAOYSA-N 1 0 349.416 2.202 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271798943 274154356 /nfs/dbraw/zinc/15/43/56/274154356.db2.gz OSECETHPYWDQJK-CQSZACIVSA-N 1 0 338.795 2.331 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000171925429 274271394 /nfs/dbraw/zinc/27/13/94/274271394.db2.gz LIRMNPKHIKEHQK-SNVBAGLBSA-N 1 0 333.310 2.116 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277393914 274287819 /nfs/dbraw/zinc/28/78/19/274287819.db2.gz ASNHRYFDVGUJII-CQSZACIVSA-N 1 0 332.404 2.140 20 5 EEBDRO COC(=O)C1CC[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286110412 274837724 /nfs/dbraw/zinc/83/77/24/274837724.db2.gz LQSZJQXFQCZCOO-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412645 275029704 /nfs/dbraw/zinc/02/97/04/275029704.db2.gz VFHUZHVSAMDVQM-JKIFEVAISA-N 1 0 345.399 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000071857554 275035168 /nfs/dbraw/zinc/03/51/68/275035168.db2.gz VFRMDYPEKYMXPK-UHFFFAOYSA-N 1 0 327.388 2.317 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000288362354 275050522 /nfs/dbraw/zinc/05/05/22/275050522.db2.gz HDRXDJNXVHDMPU-INIZCTEOSA-N 1 0 343.431 2.483 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000288451416 275059818 /nfs/dbraw/zinc/05/98/18/275059818.db2.gz ZACBZZPDTMWTFQ-JSGCOSHPSA-N 1 0 328.372 2.316 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289762704 275146523 /nfs/dbraw/zinc/14/65/23/275146523.db2.gz KURQBEZJUMXVNX-RHSMWYFYSA-N 1 0 349.431 2.289 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289987384 275168191 /nfs/dbraw/zinc/16/81/91/275168191.db2.gz YEEZFVGRAXKSRV-XQQFMLRXSA-N 1 0 335.429 2.143 20 5 EEBDRO NC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000291005183 275260204 /nfs/dbraw/zinc/26/02/04/275260204.db2.gz VPCMTNFKHBBPHA-ZDUSSCGKSA-N 1 0 347.419 2.298 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156594719 277284923 /nfs/dbraw/zinc/28/49/23/277284923.db2.gz FZOQJDWHDNBOID-LLVKDONJSA-N 1 0 342.193 2.181 20 5 EEBDRO CS[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1[NH+](C)C ZINC000347425431 278168704 /nfs/dbraw/zinc/16/87/04/278168704.db2.gz DKUKZYGVMBZDHD-STQMWFEESA-N 1 0 333.417 2.020 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362843916 288084879 /nfs/dbraw/zinc/08/48/79/288084879.db2.gz SJPIIVWFBNCZCG-WPGHFRTFSA-N 1 0 335.429 2.367 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([C@H]4CC[NH2+]C4)CC3)c21 ZINC000420257352 280373341 /nfs/dbraw/zinc/37/33/41/280373341.db2.gz KEPDCOFFDBSESM-ZDUSSCGKSA-N 1 0 327.388 2.364 20 5 EEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116371965 289185294 /nfs/dbraw/zinc/18/52/94/289185294.db2.gz IFTNWKSXIQMPHY-AWEZNQCLSA-N 1 0 343.449 2.240 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293109098 293127811 /nfs/dbraw/zinc/12/78/11/293127811.db2.gz YILBICJHNRKTBD-KBXCAEBGSA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293738009 293283236 /nfs/dbraw/zinc/28/32/36/293283236.db2.gz QZKVNGNHKJDXCM-GFCCVEGCSA-N 1 0 332.404 2.123 20 5 EEBDRO COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296970872 294116489 /nfs/dbraw/zinc/11/64/89/294116489.db2.gz XCIQJPZZTUXWKY-YHWZYXNKSA-N 1 0 334.376 2.350 20 5 EEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297405435 294235159 /nfs/dbraw/zinc/23/51/59/294235159.db2.gz CMXXXHNFBSSMJM-BZSNNMDCSA-N 1 0 344.415 2.420 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423549572 294413458 /nfs/dbraw/zinc/41/34/58/294413458.db2.gz HUBOYVYCKPONEX-INIZCTEOSA-N 1 0 329.404 2.149 20 5 EEBDRO CO[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359231833 294547573 /nfs/dbraw/zinc/54/75/73/294547573.db2.gz QOTOKKWHXQJOBI-KGLIPLIRSA-N 1 0 349.431 2.471 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(C(F)F)CC2)c1 ZINC000361701025 304806806 /nfs/dbraw/zinc/80/68/06/304806806.db2.gz ZVTRFDKIFVKSPM-ZDUSSCGKSA-N 1 0 330.331 2.312 20 5 EEBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859714 311347513 /nfs/dbraw/zinc/34/75/13/311347513.db2.gz KQOBHLSHKUVHIY-TZMCWYRMSA-N 1 0 325.434 2.363 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160395663 311354023 /nfs/dbraw/zinc/35/40/23/311354023.db2.gz RZQVADOBPCRHNC-CQSZACIVSA-N 1 0 348.447 2.106 20 5 EEBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313338101 311587091 /nfs/dbraw/zinc/58/70/91/311587091.db2.gz DNBUPMGVRKPIRU-MRXNPFEDSA-N 1 0 341.367 2.390 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640221 312039124 /nfs/dbraw/zinc/03/91/24/312039124.db2.gz QUGIQVJZUNDCAJ-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000418298656 313776469 /nfs/dbraw/zinc/77/64/69/313776469.db2.gz QPPITDWDLMGRID-UHFFFAOYSA-N 1 0 348.403 2.160 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000418527079 313838084 /nfs/dbraw/zinc/83/80/84/313838084.db2.gz OWJFEOVXMIXYEL-AWEZNQCLSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420947134 314005706 /nfs/dbraw/zinc/00/57/06/314005706.db2.gz SXFBUUIAGWMLMX-NEPJUHHUSA-N 1 0 332.360 2.095 20 5 EEBDRO COc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])c1C ZINC000423588048 314303025 /nfs/dbraw/zinc/30/30/25/314303025.db2.gz GLUNBFPVOBRPNR-UHFFFAOYSA-N 1 0 341.367 2.445 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000439217448 315070322 /nfs/dbraw/zinc/07/03/22/315070322.db2.gz RSVXEZHIKQDVDC-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1ccccc1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441280538 315178219 /nfs/dbraw/zinc/17/82/19/315178219.db2.gz SGGKCLXVUSOFMQ-KRWDZBQOSA-N 1 0 330.388 2.125 20 5 EEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000519597930 316796003 /nfs/dbraw/zinc/79/60/03/316796003.db2.gz RMSQUVCIFDMSGI-IBGZPJMESA-N 1 0 337.379 2.415 20 5 EEBDRO CNc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000540890642 318081465 /nfs/dbraw/zinc/08/14/65/318081465.db2.gz KSGLVHWJDNMCMG-GFCCVEGCSA-N 1 0 334.420 2.439 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000544413735 318187109 /nfs/dbraw/zinc/18/71/09/318187109.db2.gz JTBBMHMYGNSTJM-CQSZACIVSA-N 1 0 339.392 2.193 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000548086010 318353416 /nfs/dbraw/zinc/35/34/16/318353416.db2.gz IIHMLEPPLPKDFR-HNNXBMFYSA-N 1 0 343.387 2.193 20 5 EEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000562996850 318955250 /nfs/dbraw/zinc/95/52/50/318955250.db2.gz IGRFHGYTJPNBNC-OAHLLOKOSA-N 1 0 345.399 2.297 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563168506 318979323 /nfs/dbraw/zinc/97/93/23/318979323.db2.gz IYRZXTRDMNLVEB-UHFFFAOYSA-N 1 0 337.376 2.174 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563534061 319020653 /nfs/dbraw/zinc/02/06/53/319020653.db2.gz MHYNTKWGYXIGRD-UHFFFAOYSA-N 1 0 342.399 2.438 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)cc1[N+](=O)[O-] ZINC000565963241 319231323 /nfs/dbraw/zinc/23/13/23/319231323.db2.gz TWHQERRRXGCNMS-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000567112415 319349874 /nfs/dbraw/zinc/34/98/74/319349874.db2.gz WMEGPIBVIFETND-YUMQZZPRSA-N 1 0 330.182 2.213 20 5 EEBDRO CCC(C)(C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576436311 320171440 /nfs/dbraw/zinc/17/14/40/320171440.db2.gz BSIFWSUSWPCGOM-GFCCVEGCSA-N 1 0 343.449 2.287 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000576576931 320184394 /nfs/dbraw/zinc/18/43/94/320184394.db2.gz PBWPNSUPAPHOCI-KRWDZBQOSA-N 1 0 341.367 2.390 20 5 EEBDRO COc1ncccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578758946 323701958 /nfs/dbraw/zinc/70/19/58/323701958.db2.gz GZXSNUHKZIQPHB-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581047999 324173478 /nfs/dbraw/zinc/17/34/78/324173478.db2.gz DLXLGGQJIPCWHR-NSHDSACASA-N 1 0 337.376 2.174 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000581306227 324226454 /nfs/dbraw/zinc/22/64/54/324226454.db2.gz WOJHMPXCHIFVGU-FRFSOERESA-N 1 0 348.378 2.217 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000326872248 465045561 /nfs/dbraw/zinc/04/55/61/465045561.db2.gz ZNKDMRFHQKIFLH-LLVKDONJSA-N 1 0 349.387 2.017 20 5 EEBDRO Cn1cc(C[NH2+]CCc2cnccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341267067 465084310 /nfs/dbraw/zinc/08/43/10/465084310.db2.gz SEUBVKMVTMQSNQ-UHFFFAOYSA-N 1 0 338.371 2.118 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358388476 465095438 /nfs/dbraw/zinc/09/54/38/465095438.db2.gz DRLNPOPPVYIBNN-IUODEOHRSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000354735632 465122180 /nfs/dbraw/zinc/12/21/80/465122180.db2.gz SFGFQHNSVQNSKF-JSGCOSHPSA-N 1 0 343.387 2.192 20 5 EEBDRO COCCOC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000296308918 465152212 /nfs/dbraw/zinc/15/22/12/465152212.db2.gz GFRHLRURAZKNNM-CQSZACIVSA-N 1 0 338.404 2.458 20 5 EEBDRO CC(=O)NCC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000347658569 465153317 /nfs/dbraw/zinc/15/33/17/465153317.db2.gz WDBCCWGMNMOVFA-HNNXBMFYSA-N 1 0 335.404 2.212 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351604530 465248568 /nfs/dbraw/zinc/24/85/68/465248568.db2.gz FFYUYUPUKJZZTL-UHFFFAOYSA-N 1 0 342.371 2.214 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433371 465271347 /nfs/dbraw/zinc/27/13/47/465271347.db2.gz PCHGZPSRJXPZJZ-GOSISDBHSA-N 1 0 346.431 2.259 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)CC2(CO)CC2)n1 ZINC000341931253 465276932 /nfs/dbraw/zinc/27/69/32/465276932.db2.gz DFKLHKOXBZADAO-UHFFFAOYSA-N 1 0 330.388 2.066 20 5 EEBDRO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356384224 465351185 /nfs/dbraw/zinc/35/11/85/465351185.db2.gz DELBFVUAYJBVBC-IUODEOHRSA-N 1 0 334.420 2.439 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000085455787 462547455 /nfs/dbraw/zinc/54/74/55/462547455.db2.gz AEAXLMQJKUWNQU-TXEJJXNPSA-N 1 0 341.433 2.276 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087086231 462588852 /nfs/dbraw/zinc/58/88/52/462588852.db2.gz SLYCTGBKJABPAU-IAGOWNOFSA-N 1 0 344.415 2.289 20 5 EEBDRO O=C(CN1CC[C@@]2(CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153813662 462695369 /nfs/dbraw/zinc/69/53/69/462695369.db2.gz FYNHEIRRGCNVDF-OAHLLOKOSA-N 1 0 339.779 2.299 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000089807783 462722538 /nfs/dbraw/zinc/72/25/38/462722538.db2.gz YVOQNENHXLNBCJ-GXTWGEPZSA-N 1 0 328.372 2.433 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116129633 462743291 /nfs/dbraw/zinc/74/32/91/462743291.db2.gz PXNDQWLTONTMCI-OAHLLOKOSA-N 1 0 337.420 2.456 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154365656 462759454 /nfs/dbraw/zinc/75/94/54/462759454.db2.gz CTPFLNONLKTVHB-UHFFFAOYSA-N 1 0 334.401 2.448 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000075849165 462763833 /nfs/dbraw/zinc/76/38/33/462763833.db2.gz JVAWVUWDFKLBCC-GFCCVEGCSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000090539561 462796466 /nfs/dbraw/zinc/79/64/66/462796466.db2.gz JOSUARYZCCUGIG-WBVHZDCISA-N 1 0 343.431 2.434 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000090549126 462796638 /nfs/dbraw/zinc/79/66/38/462796638.db2.gz KTSQJUVWOMKWFP-UHFFFAOYSA-N 1 0 343.383 2.374 20 5 EEBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCC1 ZINC000065872887 462834998 /nfs/dbraw/zinc/83/49/98/462834998.db2.gz MQACOUJZOOXHRW-AWEZNQCLSA-N 1 0 344.415 2.398 20 5 EEBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(CO)CO ZINC000093502684 463040007 /nfs/dbraw/zinc/04/00/07/463040007.db2.gz CYRYRIVMKGSUBB-UHFFFAOYSA-N 1 0 334.372 2.278 20 5 EEBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000068202362 463103427 /nfs/dbraw/zinc/10/34/27/463103427.db2.gz XLYHLMFAUNPEHZ-KBPBESRZSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000078575111 463130615 /nfs/dbraw/zinc/13/06/15/463130615.db2.gz GOTZBQAQKJJTRQ-HNNXBMFYSA-N 1 0 346.431 2.408 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026156496 463152385 /nfs/dbraw/zinc/15/23/85/463152385.db2.gz JWOVGSMICPFNPS-TXEJJXNPSA-N 1 0 337.376 2.041 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000137086656 463276302 /nfs/dbraw/zinc/27/63/02/463276302.db2.gz HLHLYWQLEGGLSI-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000139933845 463334048 /nfs/dbraw/zinc/33/40/48/463334048.db2.gz UNDXIPWHPLETFQ-UHFFFAOYSA-N 1 0 333.367 2.180 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000070710001 463381482 /nfs/dbraw/zinc/38/14/82/463381482.db2.gz LUOGSSMXLYDOMN-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO C[NH+](C)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000072027788 463480667 /nfs/dbraw/zinc/48/06/67/463480667.db2.gz FTTYBRJJIMZANX-UHFFFAOYSA-N 1 0 332.404 2.335 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125046626 463495482 /nfs/dbraw/zinc/49/54/82/463495482.db2.gz XBNJGHWRNNXORL-VHSXEESVSA-N 1 0 347.824 2.105 20 5 EEBDRO CC(C)[C@H]1CN(C)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000151266980 463502787 /nfs/dbraw/zinc/50/27/87/463502787.db2.gz DBNLCOQUZOZKNQ-CQSZACIVSA-N 1 0 337.445 2.486 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000125329972 463531691 /nfs/dbraw/zinc/53/16/91/463531691.db2.gz UXMBREJHZFHOPS-UHFFFAOYSA-N 1 0 331.294 2.391 20 5 EEBDRO Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000058269179 463563816 /nfs/dbraw/zinc/56/38/16/463563816.db2.gz ASXCKGOLHIWDMT-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000126130798 463608213 /nfs/dbraw/zinc/60/82/13/463608213.db2.gz DIDDDTZGESUTFI-OLZOCXBDSA-N 1 0 337.445 2.486 20 5 EEBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000126499908 463641814 /nfs/dbraw/zinc/64/18/14/463641814.db2.gz ZYXNDAVMAFRRLY-UHFFFAOYSA-N 1 0 347.400 2.119 20 5 EEBDRO Cc1c(Br)c(NC[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000165725346 463646523 /nfs/dbraw/zinc/64/65/23/463646523.db2.gz GRJCMDONESYJFG-SECBINFHSA-N 1 0 329.198 2.424 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846978 463723177 /nfs/dbraw/zinc/72/31/77/463723177.db2.gz BDJRSKYCFZUOJW-CZUORRHYSA-N 1 0 346.431 2.261 20 5 EEBDRO CCOc1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000276844855 463778859 /nfs/dbraw/zinc/77/88/59/463778859.db2.gz CSOMAOUQIMTMPW-UHFFFAOYSA-N 1 0 349.431 2.290 20 5 EEBDRO CCOc1cc(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000276851602 463780805 /nfs/dbraw/zinc/78/08/05/463780805.db2.gz DSYIZWFOBQBWGE-ZBFHGGJFSA-N 1 0 339.461 2.471 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000283247059 463818323 /nfs/dbraw/zinc/81/83/23/463818323.db2.gz VCXTZJNYLBCQQZ-VXGBXAGGSA-N 1 0 340.376 2.160 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261711410 463835143 /nfs/dbraw/zinc/83/51/43/463835143.db2.gz BXNIYXUZBQYGGY-MEBBXXQBSA-N 1 0 341.795 2.213 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1 ZINC000261724466 463840758 /nfs/dbraw/zinc/84/07/58/463840758.db2.gz NSWGOAWMUZJBKK-HNNXBMFYSA-N 1 0 335.795 2.091 20 5 EEBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068193 463864066 /nfs/dbraw/zinc/86/40/66/463864066.db2.gz DQBFOBRPBBCUET-DRPJVOAASA-N 1 0 340.445 2.109 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000194794358 463929794 /nfs/dbraw/zinc/92/97/94/463929794.db2.gz NCMVNFOWVQALQI-AWEZNQCLSA-N 1 0 349.431 2.068 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000269288338 463942087 /nfs/dbraw/zinc/94/20/87/463942087.db2.gz SGVIREVGSMECOR-HOCLYGCPSA-N 1 0 330.388 2.274 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269319015 463950983 /nfs/dbraw/zinc/95/09/83/463950983.db2.gz AQZOLAWDHFOIAL-LBPRGKRZSA-N 1 0 337.424 2.292 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](C)CC1 ZINC000263835439 464210487 /nfs/dbraw/zinc/21/04/87/464210487.db2.gz BEPMJTJQUKAQHV-GFCCVEGCSA-N 1 0 331.376 2.343 20 5 EEBDRO COc1cc(CN2CC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180026077 464225967 /nfs/dbraw/zinc/22/59/67/464225967.db2.gz PQQSIOSBUFITTJ-JTQLQIEISA-N 1 0 346.330 2.062 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188450770 464283929 /nfs/dbraw/zinc/28/39/29/464283929.db2.gz DSVGGOKMSXQNPD-AWEZNQCLSA-N 1 0 335.404 2.468 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000264345029 464295193 /nfs/dbraw/zinc/29/51/93/464295193.db2.gz QTBCGCZMFNVABI-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237525173 464334569 /nfs/dbraw/zinc/33/45/69/464334569.db2.gz UAZXIQCYMBPPBC-SECBINFHSA-N 1 0 348.325 2.127 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281236181 464381971 /nfs/dbraw/zinc/38/19/71/464381971.db2.gz SPZCZBAQRRHNOK-LLVKDONJSA-N 1 0 331.376 2.022 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237928099 464404808 /nfs/dbraw/zinc/40/48/08/464404808.db2.gz UKHYSSDIQDPJAH-UONOGXRCSA-N 1 0 343.387 2.028 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237997097 464417417 /nfs/dbraw/zinc/41/74/17/464417417.db2.gz OXAPZGNLPZPYNG-SKDRFNHKSA-N 1 0 347.824 2.044 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000238000562 464418402 /nfs/dbraw/zinc/41/84/02/464418402.db2.gz ZPFIXDBHVFJVAO-CZUORRHYSA-N 1 0 334.420 2.421 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000238020463 464419076 /nfs/dbraw/zinc/41/90/76/464419076.db2.gz UKHYSSDIQDPJAH-ZIAGYGMSSA-N 1 0 343.387 2.028 20 5 EEBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000238020083 464419832 /nfs/dbraw/zinc/41/98/32/464419832.db2.gz AZCFRXGNVRMCQZ-UHFFFAOYSA-N 1 0 342.193 2.359 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238111731 464433154 /nfs/dbraw/zinc/43/31/54/464433154.db2.gz VQPLWJFGAFQNPC-UHFFFAOYSA-N 1 0 332.385 2.200 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294331840 464468858 /nfs/dbraw/zinc/46/88/58/464468858.db2.gz OZYXKDHKFSCALC-PQEBFOHHSA-N 1 0 334.416 2.436 20 5 EEBDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175382069 464537318 /nfs/dbraw/zinc/53/73/18/464537318.db2.gz STZUOVCTKOVHLJ-SPSFWMDKSA-N 1 0 336.417 2.222 20 5 EEBDRO NC(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182017314 464553088 /nfs/dbraw/zinc/55/30/88/464553088.db2.gz WDERFDKAJMVDPG-INIZCTEOSA-N 1 0 335.404 2.388 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000281728011 464561205 /nfs/dbraw/zinc/56/12/05/464561205.db2.gz AOARLOPPHQZAMO-KGLIPLIRSA-N 1 0 348.428 2.346 20 5 EEBDRO Cn1cc(C[N@H+](C)CC(C)(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294677587 464571890 /nfs/dbraw/zinc/57/18/90/464571890.db2.gz BJVJKXCZWOZQKZ-UHFFFAOYSA-N 1 0 332.404 2.446 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272349182 464573868 /nfs/dbraw/zinc/57/38/68/464573868.db2.gz OGLCVGQCPCFXTA-IINYFYTJSA-N 1 0 339.342 2.286 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294853266 464626053 /nfs/dbraw/zinc/62/60/53/464626053.db2.gz FRSCCPUXHZHUCH-GHMZBOCLSA-N 1 0 339.367 2.345 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000247500806 464686870 /nfs/dbraw/zinc/68/68/70/464686870.db2.gz UZEOOMWCAYFAGV-SWLSCSKDSA-N 1 0 337.445 2.486 20 5 EEBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000593884319 468419717 /nfs/dbraw/zinc/41/97/17/468419717.db2.gz WSBKKBIFHAHGAE-UHFFFAOYSA-N 1 0 339.367 2.300 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265917101 464732153 /nfs/dbraw/zinc/73/21/53/464732153.db2.gz ASHGIHSTSIBVHL-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO Cc1cccc2c1CC(C)(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000295191194 464738549 /nfs/dbraw/zinc/73/85/49/464738549.db2.gz JKXVWTPIGCRWFV-MRXNPFEDSA-N 1 0 344.415 2.298 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295427785 464830750 /nfs/dbraw/zinc/83/07/50/464830750.db2.gz UOZGEQKHCDEGEH-GFCCVEGCSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000249047372 464833418 /nfs/dbraw/zinc/83/34/18/464833418.db2.gz NVDXUBGYUSHVEV-CHWSQXEVSA-N 1 0 326.418 2.162 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000286227787 464847052 /nfs/dbraw/zinc/84/70/52/464847052.db2.gz SQVJPKZAGDMDOE-CQSZACIVSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000249456411 464876385 /nfs/dbraw/zinc/87/63/85/464876385.db2.gz YBWRVEPDJKJVFN-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000176912578 464884377 /nfs/dbraw/zinc/88/43/77/464884377.db2.gz BLPFRKPNSLCSLC-HNNXBMFYSA-N 1 0 337.420 2.244 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286606244 464975088 /nfs/dbraw/zinc/97/50/88/464975088.db2.gz RISSATXPSDPGEB-XNHOIOAFSA-N 1 0 333.344 2.358 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286642785 464989635 /nfs/dbraw/zinc/98/96/35/464989635.db2.gz TXASXOAJFUTGOB-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000177416610 465008677 /nfs/dbraw/zinc/00/86/77/465008677.db2.gz SHPOKUZWFDQZKE-KRWDZBQOSA-N 1 0 349.387 2.117 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022278 465023112 /nfs/dbraw/zinc/02/31/12/465023112.db2.gz PDXZLSYGJIDVGA-BBRMVZONSA-N 1 0 332.404 2.366 20 5 EEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000356334583 465318789 /nfs/dbraw/zinc/31/87/89/465318789.db2.gz HIPYRVQFRHTHKR-UHFFFAOYSA-N 1 0 348.322 2.909 20 5 EEBDRO CSc1ccccc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355246 465323945 /nfs/dbraw/zinc/32/39/45/465323945.db2.gz DPJQVFXUSDUYMD-AAEUAGOBSA-N 1 0 336.417 2.225 20 5 EEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](CC2CC2)CC1 ZINC000342882694 465366569 /nfs/dbraw/zinc/36/65/69/465366569.db2.gz RASAXKLEWGWENK-UHFFFAOYSA-N 1 0 328.372 2.244 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000351943394 465455725 /nfs/dbraw/zinc/45/57/25/465455725.db2.gz LQBLMKIRKQQTAD-SNVBAGLBSA-N 1 0 343.330 2.362 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000356750179 465519084 /nfs/dbraw/zinc/51/90/84/465519084.db2.gz ZWOUXYIGDZAUCJ-NSHDSACASA-N 1 0 339.392 2.071 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000356757682 465523247 /nfs/dbraw/zinc/52/32/47/465523247.db2.gz AHTNIFZTPGYSKR-ZDUSSCGKSA-N 1 0 345.403 2.239 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c([N+](=O)[O-])cc1O ZINC000360061116 465527877 /nfs/dbraw/zinc/52/78/77/465527877.db2.gz XAJQHGGMFFWUBV-GFCCVEGCSA-N 1 0 338.360 2.084 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000344061771 465582108 /nfs/dbraw/zinc/58/21/08/465582108.db2.gz BHGRERYUMAVIJF-SZMVWBNQSA-N 1 0 331.416 2.374 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356980238 465675971 /nfs/dbraw/zinc/67/59/71/465675971.db2.gz OTWVWEMDIPWESO-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO COc1ccc(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000299345218 465707993 /nfs/dbraw/zinc/70/79/93/465707993.db2.gz PIUDXFUZDHTDHA-UHFFFAOYSA-N 1 0 342.399 2.363 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330590582 465719757 /nfs/dbraw/zinc/71/97/57/465719757.db2.gz OAAPUZVQIFLUEP-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000366440785 465728081 /nfs/dbraw/zinc/72/80/81/465728081.db2.gz WVRSEXCLTAQRNX-KBRIMQKVSA-N 1 0 347.415 2.227 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000371353316 465738755 /nfs/dbraw/zinc/73/87/55/465738755.db2.gz IICUPTKHAKGWFC-SJORKVTESA-N 1 0 325.368 2.422 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081068 465752373 /nfs/dbraw/zinc/75/23/73/465752373.db2.gz PPFQKDLEPSJLLI-IAGOWNOFSA-N 1 0 346.431 2.291 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338027511 465761322 /nfs/dbraw/zinc/76/13/22/465761322.db2.gz JEBJZBNWQAWZFT-MJBXVCDLSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340146534 465814092 /nfs/dbraw/zinc/81/40/92/465814092.db2.gz GJJDFERATOJLIX-GFCCVEGCSA-N 1 0 330.388 2.171 20 5 EEBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000299604299 465821764 /nfs/dbraw/zinc/82/17/64/465821764.db2.gz IARAYUCLCNBYKH-QGZVFWFLSA-N 1 0 325.368 2.486 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000362559373 465830607 /nfs/dbraw/zinc/83/06/07/465830607.db2.gz DKUGZSDPIPIVIR-ZDUSSCGKSA-N 1 0 345.403 3.035 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301138021 465908126 /nfs/dbraw/zinc/90/81/26/465908126.db2.gz ACFXXDPROOLMRB-HNNXBMFYSA-N 1 0 346.431 2.408 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712602 465962591 /nfs/dbraw/zinc/96/25/91/465962591.db2.gz BATQWWTZWPZCNH-FRFSOERESA-N 1 0 338.404 2.374 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000346181174 465968640 /nfs/dbraw/zinc/96/86/40/465968640.db2.gz HWKFJEBLHJHXMT-OGHNNQOOSA-N 1 0 347.415 2.406 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338292661 465990199 /nfs/dbraw/zinc/99/01/99/465990199.db2.gz UMYAJQXUPZMDFD-NEPJUHHUSA-N 1 0 337.376 2.101 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000338425098 466116970 /nfs/dbraw/zinc/11/69/70/466116970.db2.gz PWFUDWWGPUDBJF-GFCCVEGCSA-N 1 0 336.392 2.080 20 5 EEBDRO CSC1(CNc2ncnc3cccc([N+](=O)[O-])c32)CC[NH+](C)CC1 ZINC000357566160 466138687 /nfs/dbraw/zinc/13/86/87/466138687.db2.gz LHCKYORYHFDUNH-UHFFFAOYSA-N 1 0 347.444 2.777 20 5 EEBDRO CCOc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302487287 466145851 /nfs/dbraw/zinc/14/58/51/466145851.db2.gz IRIQTUMRYGRZAB-CYBMUJFWSA-N 1 0 337.420 2.275 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000346798012 466161256 /nfs/dbraw/zinc/16/12/56/466161256.db2.gz PDNIGLBZVDBVQS-UKRRQHHQSA-N 1 0 340.445 2.473 20 5 EEBDRO Cn1nccc1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170808 466202791 /nfs/dbraw/zinc/20/27/91/466202791.db2.gz WGDLJERTFYRKJP-YOEHRIQHSA-N 1 0 330.388 2.241 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC000338552982 466216271 /nfs/dbraw/zinc/21/62/71/466216271.db2.gz ZBCIRNBHOKCXAB-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363150824 466249011 /nfs/dbraw/zinc/24/90/11/466249011.db2.gz WQQFQDMRQTYKCG-ZDUSSCGKSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000357855028 466266386 /nfs/dbraw/zinc/26/63/86/466266386.db2.gz DEOCAUUFGGZCMZ-XHDPSFHLSA-N 1 0 345.403 2.356 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000331879415 466287679 /nfs/dbraw/zinc/28/76/79/466287679.db2.gz IGNQWLHVMKOKBE-UONOGXRCSA-N 1 0 333.388 2.094 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n1 ZINC000331911025 466302431 /nfs/dbraw/zinc/30/24/31/466302431.db2.gz YHQIKKQDLWDHHU-MCIONIFRSA-N 1 0 349.435 2.289 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000331911029 466302649 /nfs/dbraw/zinc/30/26/49/466302649.db2.gz YHQIKKQDLWDHHU-MJBXVCDLSA-N 1 0 349.435 2.289 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(C)(C)O)cccc1[N+](=O)[O-] ZINC000305439852 466408967 /nfs/dbraw/zinc/40/89/67/466408967.db2.gz LQMZRLJVEYDBFH-HNNXBMFYSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000305772125 466459294 /nfs/dbraw/zinc/45/92/94/466459294.db2.gz KTHFIKQPINWCHI-AWEZNQCLSA-N 1 0 336.779 2.085 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347241273 466502771 /nfs/dbraw/zinc/50/27/71/466502771.db2.gz UPDPXRWHBSPKDN-AWEZNQCLSA-N 1 0 342.371 2.212 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000332370403 466530259 /nfs/dbraw/zinc/53/02/59/466530259.db2.gz AOFCEETYADWZMJ-IAGOWNOFSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000354420171 466555651 /nfs/dbraw/zinc/55/56/51/466555651.db2.gz HFIREVYQUKTXGV-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423271295 466707416 /nfs/dbraw/zinc/70/74/16/466707416.db2.gz IVEXMJUTCRBWBL-DVOMOZLQSA-N 1 0 334.420 2.419 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423367644 466730195 /nfs/dbraw/zinc/73/01/95/466730195.db2.gz YQQYLEBUPJFEMW-ZBFHGGJFSA-N 1 0 329.404 2.149 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000423643689 466793799 /nfs/dbraw/zinc/79/37/99/466793799.db2.gz YUWNLICYVQWKOW-CQSZACIVSA-N 1 0 349.387 2.115 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000423664627 466797968 /nfs/dbraw/zinc/79/79/68/466797968.db2.gz FSCHYJALOCLRDJ-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO C[C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000423719214 466813168 /nfs/dbraw/zinc/81/31/68/466813168.db2.gz DXNSCUNKPVCYAB-JTQLQIEISA-N 1 0 331.376 2.435 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000411400026 466819639 /nfs/dbraw/zinc/81/96/39/466819639.db2.gz MQIRHYMOCXKQSW-UHFFFAOYSA-N 1 0 335.404 2.406 20 5 EEBDRO CCOC(=O)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676368 466884715 /nfs/dbraw/zinc/88/47/15/466884715.db2.gz WEMRIIRJPKHNKS-UONOGXRCSA-N 1 0 349.387 2.047 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000411966420 466950313 /nfs/dbraw/zinc/95/03/13/466950313.db2.gz LKNAGUIVFWTOKI-GOSISDBHSA-N 1 0 343.358 2.363 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000424037751 466959384 /nfs/dbraw/zinc/95/93/84/466959384.db2.gz HGDLYMANXSSJPM-INIZCTEOSA-N 1 0 347.415 2.454 20 5 EEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412088435 467002498 /nfs/dbraw/zinc/00/24/98/467002498.db2.gz PLEMMTLTMHCIFJ-AAEUAGOBSA-N 1 0 332.360 2.238 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427408729 467155886 /nfs/dbraw/zinc/15/58/86/467155886.db2.gz WKOCSXOZMNELKB-CQSZACIVSA-N 1 0 331.376 2.931 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1=CC[NH2+]CC1 ZINC000427606306 467166559 /nfs/dbraw/zinc/16/65/59/467166559.db2.gz JIILGJXRLOLFBJ-JTQLQIEISA-N 1 0 339.779 2.051 20 5 EEBDRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000419377890 467194629 /nfs/dbraw/zinc/19/46/29/467194629.db2.gz BVUSHEZJLDYWLE-GFCCVEGCSA-N 1 0 339.392 2.289 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCNc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281004 467313985 /nfs/dbraw/zinc/31/39/85/467313985.db2.gz AJQBAPBBQXHJCN-OAHLLOKOSA-N 1 0 327.388 2.809 20 5 EEBDRO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420245296 467329229 /nfs/dbraw/zinc/32/92/29/467329229.db2.gz ZSAFCUMZFCDFLG-KBPBESRZSA-N 1 0 327.388 2.464 20 5 EEBDRO COc1ccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000429922125 467382586 /nfs/dbraw/zinc/38/25/86/467382586.db2.gz WBEOQTQZXUKGAO-OCCSQVGLSA-N 1 0 335.404 2.245 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000420461346 467415049 /nfs/dbraw/zinc/41/50/49/467415049.db2.gz GJGNRHXFEQROAH-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000397191367 467440341 /nfs/dbraw/zinc/44/03/41/467440341.db2.gz PKIOKOZRNKJTIZ-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO COc1cc(CN(C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430632406 467453641 /nfs/dbraw/zinc/45/36/41/467453641.db2.gz XJEBYSIXYVPBIR-UHFFFAOYSA-N 1 0 345.346 2.389 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405355653 467480584 /nfs/dbraw/zinc/48/05/84/467480584.db2.gz QSXRGQBMYWEQSS-SMDDNHRTSA-N 1 0 341.433 2.041 20 5 EEBDRO CN(C(=O)CN1CC[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000430952272 467480824 /nfs/dbraw/zinc/48/08/24/467480824.db2.gz YLQNPGNXPLYNIG-UHFFFAOYSA-N 1 0 340.383 2.167 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415119940 467493734 /nfs/dbraw/zinc/49/37/34/467493734.db2.gz FWHSTOBNKDHXSZ-QAPCUYQASA-N 1 0 349.431 2.322 20 5 EEBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000408041922 467499525 /nfs/dbraw/zinc/49/95/25/467499525.db2.gz OZWROKNYAXUCFA-NWDGAFQWSA-N 1 0 341.433 2.006 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000454346685 467586862 /nfs/dbraw/zinc/58/68/62/467586862.db2.gz RISXHCAWGJVDMN-UHFFFAOYSA-N 1 0 349.435 2.132 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000448182323 467590375 /nfs/dbraw/zinc/59/03/75/467590375.db2.gz SGWAIGGSBIHXHT-IUODEOHRSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000449243295 467625346 /nfs/dbraw/zinc/62/53/46/467625346.db2.gz JSCAKWCCGJILJN-SJCJKPOMSA-N 1 0 338.404 2.208 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000449558509 467662137 /nfs/dbraw/zinc/66/21/37/467662137.db2.gz WLLPUTFPXJUNIT-PBFPGSCMSA-N 1 0 348.399 2.444 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449640596 467674053 /nfs/dbraw/zinc/67/40/53/467674053.db2.gz BJEPJOLMBWTXGO-QWRGUYRKSA-N 1 0 344.371 2.096 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1SC ZINC000449717068 467698585 /nfs/dbraw/zinc/69/85/85/467698585.db2.gz MLRANXYGVQXXCW-VHSXEESVSA-N 1 0 339.417 2.183 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000449994397 467758638 /nfs/dbraw/zinc/75/86/38/467758638.db2.gz HGHARYDFJIEVKJ-YPMHNXCESA-N 1 0 343.387 2.197 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000493391958 467901328 /nfs/dbraw/zinc/90/13/28/467901328.db2.gz URNYAXQBBBWXGM-CMDGGOBGSA-N 1 0 347.415 2.177 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000493511734 467928659 /nfs/dbraw/zinc/92/86/59/467928659.db2.gz ALVGHCHBBRHYIC-FWEMWIAWSA-N 1 0 335.257 2.143 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459516478 467960412 /nfs/dbraw/zinc/96/04/12/467960412.db2.gz VJTHLOOCHJJBAR-MRXNPFEDSA-N 1 0 347.463 2.375 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000516394201 468026192 /nfs/dbraw/zinc/02/61/92/468026192.db2.gz VRQGLZLSYBLZMV-NEPJUHHUSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1ccc(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000531382241 468048656 /nfs/dbraw/zinc/04/86/56/468048656.db2.gz YPXRFYSPOAYTMK-UHFFFAOYSA-N 1 0 346.387 2.343 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000490206104 468201063 /nfs/dbraw/zinc/20/10/63/468201063.db2.gz GOQJPXVRBOJLDD-KRWDZBQOSA-N 1 0 332.404 2.140 20 5 EEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591745363 468513503 /nfs/dbraw/zinc/51/35/03/468513503.db2.gz VWQXPSMFGIHFFU-OLZOCXBDSA-N 1 0 326.393 2.128 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000594390340 468570006 /nfs/dbraw/zinc/57/00/06/468570006.db2.gz VLXJWVOPQLFWCB-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO CCC(CC)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000570201886 468603142 /nfs/dbraw/zinc/60/31/42/468603142.db2.gz MKCGPBSTKCPADW-KRWDZBQOSA-N 1 0 346.431 2.500 20 5 EEBDRO [NH3+]C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600729076 468638415 /nfs/dbraw/zinc/63/84/15/468638415.db2.gz WORKWQHANTYVFS-NWDGAFQWSA-N 1 0 347.337 2.433 20 5 EEBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000592333669 468678955 /nfs/dbraw/zinc/67/89/55/468678955.db2.gz NOEKAOGWFKKUHQ-NEPJUHHUSA-N 1 0 343.387 2.240 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1[NH3+] ZINC000592332253 468678990 /nfs/dbraw/zinc/67/89/90/468678990.db2.gz INNBGCPWAIRCBZ-RISCZKNCSA-N 1 0 328.372 2.342 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000592356618 468682426 /nfs/dbraw/zinc/68/24/26/468682426.db2.gz BAVGAZAELUACIU-LBPRGKRZSA-N 1 0 332.316 2.246 20 5 EEBDRO Cn1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592356695 468682459 /nfs/dbraw/zinc/68/24/59/468682459.db2.gz FTWQEOHFEYIJRP-ZDUSSCGKSA-N 1 0 340.343 2.470 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592477659 468706156 /nfs/dbraw/zinc/70/61/56/468706156.db2.gz GITJUICVYSVWNP-NSHDSACASA-N 1 0 329.360 2.188 20 5 EEBDRO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000559254396 468733151 /nfs/dbraw/zinc/73/31/51/468733151.db2.gz HSQZMOWOFAJXCE-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H](CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597992027 468733261 /nfs/dbraw/zinc/73/32/61/468733261.db2.gz IPQLBRCQOANHSB-MNOVXSKESA-N 1 0 343.811 2.472 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000595045947 468748001 /nfs/dbraw/zinc/74/80/01/468748001.db2.gz WJMDXHUKSIKFOP-NSHDSACASA-N 1 0 330.406 2.079 20 5 EEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595118840 468763166 /nfs/dbraw/zinc/76/31/66/468763166.db2.gz WNCHARAOSWRJMF-IUODEOHRSA-N 1 0 341.433 2.123 20 5 EEBDRO CCOc1cc(NC(=O)N[C@@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000595231814 468789632 /nfs/dbraw/zinc/78/96/32/468789632.db2.gz KFTJOFXZMKHDEY-JTQLQIEISA-N 1 0 340.380 2.122 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261003 468810068 /nfs/dbraw/zinc/81/00/68/468810068.db2.gz CIKIEWROGPZWQB-GFCCVEGCSA-N 1 0 337.424 2.292 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261903 468810270 /nfs/dbraw/zinc/81/02/70/468810270.db2.gz IDRQIWSIUIEFFV-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000598341838 468836789 /nfs/dbraw/zinc/83/67/89/468836789.db2.gz GXIYYKPCVQFHCB-ZDUSSCGKSA-N 1 0 343.387 2.199 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000571895395 468854604 /nfs/dbraw/zinc/85/46/04/468854604.db2.gz SHVOEAFUAYXJQX-INIZCTEOSA-N 1 0 347.415 2.199 20 5 EEBDRO C[C@@H](CO)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593081589 468863784 /nfs/dbraw/zinc/86/37/84/468863784.db2.gz FFVCZDDVZDXILA-ZDUSSCGKSA-N 1 0 335.404 2.264 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000595478094 468870433 /nfs/dbraw/zinc/87/04/33/468870433.db2.gz ZIHRNIPACWQNAU-AWEZNQCLSA-N 1 0 337.395 2.278 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505220 468880942 /nfs/dbraw/zinc/88/09/42/468880942.db2.gz QVTGRHIJCAHYCJ-KBXCAEBGSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1c(CN2CCC(CO)([NH2+]CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000595512974 468883165 /nfs/dbraw/zinc/88/31/65/468883165.db2.gz ZYPOHFKLPDQBKB-UHFFFAOYSA-N 1 0 335.448 2.476 20 5 EEBDRO COC(=O)c1ccnc(NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598641013 468941408 /nfs/dbraw/zinc/94/14/08/468941408.db2.gz DSIWYRRVUMKRJZ-UHFFFAOYSA-N 1 0 348.403 2.310 20 5 EEBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602662065 468995573 /nfs/dbraw/zinc/99/55/73/468995573.db2.gz CRJGDICSMHYXES-SECBINFHSA-N 1 0 331.294 2.311 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684415 469009210 /nfs/dbraw/zinc/00/92/10/469009210.db2.gz XWAANZNGFFXINA-IUODEOHRSA-N 1 0 342.403 2.451 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000562655197 469021973 /nfs/dbraw/zinc/02/19/73/469021973.db2.gz LLZLJVVZOUQRMX-GOSISDBHSA-N 1 0 325.368 2.142 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073714 469108118 /nfs/dbraw/zinc/10/81/18/469108118.db2.gz PPKYEIFLUDSGKE-KCPJHIHWSA-N 1 0 341.433 2.106 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611092524 469160026 /nfs/dbraw/zinc/16/00/26/469160026.db2.gz XKONBBCTVYUNBD-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO CSC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602922290 469166489 /nfs/dbraw/zinc/16/64/89/469166489.db2.gz GPFRKLSADYUQAP-GFCCVEGCSA-N 1 0 326.418 2.162 20 5 EEBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000596148060 469175792 /nfs/dbraw/zinc/17/57/92/469175792.db2.gz YRTZZIZGSVSNNP-UHFFFAOYSA-N 1 0 328.372 2.207 20 5 EEBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596158670 469179711 /nfs/dbraw/zinc/17/97/11/469179711.db2.gz CAQMUBBRGAXPRP-UHFFFAOYSA-N 1 0 348.428 2.323 20 5 EEBDRO COC(=O)c1cnc(N2CC[N@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596251811 469221762 /nfs/dbraw/zinc/22/17/62/469221762.db2.gz ZBADDUGFBXOJNQ-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO CCn1cnnc1CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000611930393 469346812 /nfs/dbraw/zinc/34/68/12/469346812.db2.gz MPCQKQCJRUUUNA-UHFFFAOYSA-N 1 0 326.360 2.139 20 5 EEBDRO CO[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000611943543 469349098 /nfs/dbraw/zinc/34/90/98/469349098.db2.gz MULSVFSMGUQOTN-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO CNC(=O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602531571 469352254 /nfs/dbraw/zinc/35/22/54/469352254.db2.gz XODCMABQTJRYER-UHFFFAOYSA-N 1 0 336.211 2.035 20 5 EEBDRO C[C@@H]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602551053 469358494 /nfs/dbraw/zinc/35/84/94/469358494.db2.gz BOFUSUBUELJJKV-BDAKNGLRSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000602554648 469358971 /nfs/dbraw/zinc/35/89/71/469358971.db2.gz NBRQZLULKGNWDF-ZFWWWQNUSA-N 1 0 346.431 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H](O)C3)CC2)cn1 ZINC000602557900 469360437 /nfs/dbraw/zinc/36/04/37/469360437.db2.gz JRWUIOOKDYBDLA-XJKSGUPXSA-N 1 0 334.420 2.099 20 5 EEBDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748776 469791335 /nfs/dbraw/zinc/79/13/35/469791335.db2.gz CTXLYROMEAXPPE-SUMWQHHRSA-N 1 0 347.415 2.068 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000609595526 469945707 /nfs/dbraw/zinc/94/57/07/469945707.db2.gz KGRQEAYOWWKHBP-LLVKDONJSA-N 1 0 331.376 2.210 20 5 EEBDRO O=[N+]([O-])c1ncccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000610160517 469985327 /nfs/dbraw/zinc/98/53/27/469985327.db2.gz UQCQLQKULKQJPP-QGZVFWFLSA-N 1 0 328.372 2.039 20 5 EEBDRO COc1cc(CN[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430596742 485704622 /nfs/dbraw/zinc/70/46/22/485704622.db2.gz OZYYWTKGBSAFAU-HNNXBMFYSA-N 1 0 345.346 2.422 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000191928976 533960034 /nfs/dbraw/zinc/96/00/34/533960034.db2.gz ALGAHSARLGFNOZ-UHFFFAOYSA-N 1 0 349.412 2.053 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000159069828 528996794 /nfs/dbraw/zinc/99/67/94/528996794.db2.gz GUVQTZBFEVOTPX-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000266364523 535754594 /nfs/dbraw/zinc/75/45/94/535754594.db2.gz FQNJEYQFGNNQBT-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459771972 535944047 /nfs/dbraw/zinc/94/40/47/535944047.db2.gz JGPLSVBDKQIWPW-OLZOCXBDSA-N 1 0 327.768 2.344 20 5 EEBDRO COC[C@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451203262 536675404 /nfs/dbraw/zinc/67/54/04/536675404.db2.gz PCSYHSXSDXGRAA-NVXWUHKLSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773190812 577321626 /nfs/dbraw/zinc/32/16/26/577321626.db2.gz LOIVRDZBPDMSAA-NSHDSACASA-N 1 0 344.371 2.063 20 5 EEBDRO C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766376707 577518135 /nfs/dbraw/zinc/51/81/35/577518135.db2.gz OSXSXTJXONHMFF-CABCVRRESA-N 1 0 329.404 2.344 20 5 EEBDRO COCC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512835 577685168 /nfs/dbraw/zinc/68/51/68/577685168.db2.gz YAWUBULVAKUXRG-UHFFFAOYSA-N 1 0 330.768 2.260 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757938846 577866869 /nfs/dbraw/zinc/86/68/69/577866869.db2.gz YSXCIZJEHSKEJC-UHFFFAOYSA-N 1 0 340.449 2.240 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)CC[NH+](C)C ZINC000742397208 577872275 /nfs/dbraw/zinc/87/22/75/577872275.db2.gz DAWBKGXHDODRDJ-SECBINFHSA-N 1 0 340.336 2.042 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000746287716 577925392 /nfs/dbraw/zinc/92/53/92/577925392.db2.gz WIEMYZRMENLCCA-HNNXBMFYSA-N 1 0 342.399 2.080 20 5 EEBDRO COc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1OC ZINC000749673399 577979685 /nfs/dbraw/zinc/97/96/85/577979685.db2.gz FSTSJRMVRWEGMN-OAHLLOKOSA-N 1 0 332.356 2.435 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000741950829 578126124 /nfs/dbraw/zinc/12/61/24/578126124.db2.gz MVBRUUFHWVHFNR-UHFFFAOYSA-N 1 0 338.364 2.225 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736350496 578198248 /nfs/dbraw/zinc/19/82/48/578198248.db2.gz OFSJUDQNDRCEHU-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821599429 599061742 /nfs/dbraw/zinc/06/17/42/599061742.db2.gz TYGBTJIEIOVRIQ-LBPRGKRZSA-N 1 0 345.407 2.086 20 5 EEBDRO COc1c(O)ccc(CN2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000891573202 676703921 /nfs/dbraw/zinc/70/39/21/676703921.db2.gz OMJSJJKYLOVKCL-UHFFFAOYSA-N 1 0 335.404 2.369 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])cnn3C)CC2)cc1 ZINC000891644430 676745994 /nfs/dbraw/zinc/74/59/94/676745994.db2.gz BFHKRILRGMWMAT-UHFFFAOYSA-N 1 0 345.403 2.049 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892133186 676906763 /nfs/dbraw/zinc/90/67/63/676906763.db2.gz KKGFAJCRCFJAFE-CYBMUJFWSA-N 1 0 337.420 2.473 20 5 EEBDRO C[C@H]1C[C@H]1CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044632 677768075 /nfs/dbraw/zinc/76/80/75/677768075.db2.gz UUTUNJHXAVPOCI-STQMWFEESA-N 1 0 347.419 2.124 20 5 EEBDRO O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)C12CCC[NH+]1CCC2 ZINC001059459878 685436846 /nfs/dbraw/zinc/43/68/46/685436846.db2.gz MHNZVVAGLLVJQH-SHTZXODSSA-N 1 0 344.415 2.282 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000892536713 681622281 /nfs/dbraw/zinc/62/22/81/681622281.db2.gz JIBGZMAAXCYNOV-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000894956021 683425124 /nfs/dbraw/zinc/42/51/24/683425124.db2.gz NXFWZGNHVQGNKX-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cncc(F)c1 ZINC001020064307 683537858 /nfs/dbraw/zinc/53/78/58/683537858.db2.gz MJFYBFOFQLDALJ-SHTZXODSSA-N 1 0 344.346 2.180 20 5 EEBDRO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893104200 683773729 /nfs/dbraw/zinc/77/37/29/683773729.db2.gz ZLXVUGQCYAHTJI-DZGCQCFKSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CN(C)CCN1C ZINC000895247502 684384180 /nfs/dbraw/zinc/38/41/80/684384180.db2.gz UYWQXVYSERSHCV-GWCFXTLKSA-N 1 0 335.433 2.251 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000895947180 684780669 /nfs/dbraw/zinc/78/06/69/684780669.db2.gz BRQABUXGJYMDFW-ATZDWAIDSA-N 1 0 342.395 2.309 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000897457036 690561795 /nfs/dbraw/zinc/56/17/95/690561795.db2.gz QGRDLLXTRJOHKI-AWEZNQCLSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000897501541 690750084 /nfs/dbraw/zinc/75/00/84/690750084.db2.gz WGSAXVHZZAXLPZ-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001168139563 1186973286 /nfs/dbraw/zinc/97/32/86/1186973286.db2.gz ZVEZXLJELHAMHE-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCOc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000905611952 1189817094 /nfs/dbraw/zinc/81/70/94/1189817094.db2.gz AAKAZLGWVUNZMM-UHFFFAOYSA-N 1 0 343.383 2.462 20 5 EEBDRO CCc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005380711 1195341277 /nfs/dbraw/zinc/34/12/77/1195341277.db2.gz GCJLZMVVSPYTCZ-QZTJIDSGSA-N 1 0 345.443 2.337 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)CC2CCC2)CC1 ZINC001034614704 1196437562 /nfs/dbraw/zinc/43/75/62/1196437562.db2.gz UKEKMMZVALVWLN-HDJSIYSDSA-N 1 0 349.435 2.036 20 5 EEBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[NH+](CC1CC1)CC1CC1 ZINC000115514174 1224509500 /nfs/dbraw/zinc/50/95/00/1224509500.db2.gz QEPZNKGRXNNYKE-UHFFFAOYSA-N 1 0 329.356 2.270 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000825791108 1199246187 /nfs/dbraw/zinc/24/61/87/1199246187.db2.gz YCJGVSAVMCYNGC-HNNXBMFYSA-N 1 0 349.431 2.478 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000876513032 1199653051 /nfs/dbraw/zinc/65/30/51/1199653051.db2.gz GEEZSDJLGGQQGU-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO CCN(C[C@@H](C)OC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000812304241 1200627995 /nfs/dbraw/zinc/62/79/95/1200627995.db2.gz VSMAZDCTSXDKLK-CYBMUJFWSA-N 1 0 336.392 2.151 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000826113163 1201170509 /nfs/dbraw/zinc/17/05/09/1201170509.db2.gz QDPIHOZDWNPJEC-DOTOQJQBSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC[C@H]1CCCO1 ZINC000866267718 1201480321 /nfs/dbraw/zinc/48/03/21/1201480321.db2.gz QDGUXMFUEYAZRU-SWLSCSKDSA-N 1 0 326.368 2.450 20 5 EEBDRO Cc1ccccc1CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944974 1201711448 /nfs/dbraw/zinc/71/14/48/1201711448.db2.gz MXZXMHMISOCFFF-SFHVURJKSA-N 1 0 327.384 2.436 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3cc(F)cc(Br)c3[N+](=O)[O-])C[C@H]2C1 ZINC000882274293 1201845682 /nfs/dbraw/zinc/84/56/82/1201845682.db2.gz GIPATZMQQQWCMK-DTORHVGOSA-N 1 0 344.184 2.494 20 5 EEBDRO COc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726268 1201929019 /nfs/dbraw/zinc/92/90/19/1201929019.db2.gz PDQUOGJOYDKRSN-AWEZNQCLSA-N 1 0 335.404 2.341 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726579 1201929289 /nfs/dbraw/zinc/92/92/89/1201929289.db2.gz XXFLZYAPWKBLQE-CYBMUJFWSA-N 1 0 340.811 2.381 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000884299873 1202287737 /nfs/dbraw/zinc/28/77/37/1202287737.db2.gz IDCHGGGWERKMOA-PBHICJAKSA-N 1 0 347.415 2.180 20 5 EEBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000929949888 1206520763 /nfs/dbraw/zinc/52/07/63/1206520763.db2.gz CMCCMKVPVITKQF-RFBLXINOSA-N 1 0 325.453 2.447 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000931442237 1207382121 /nfs/dbraw/zinc/38/21/21/1207382121.db2.gz ZKROLEONDYRPLH-OLZOCXBDSA-N 1 0 343.387 2.028 20 5 EEBDRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](CC[N+](=O)[O-])CC3)c2c1 ZINC000932415200 1207600204 /nfs/dbraw/zinc/60/02/04/1207600204.db2.gz NDXXSKSZBBVAQS-UHFFFAOYSA-N 1 0 331.372 2.411 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000934161684 1207913660 /nfs/dbraw/zinc/91/36/60/1207913660.db2.gz GIYCFIQAAMDUDZ-QVHKTLOISA-N 1 0 338.408 2.089 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778275862 1208043633 /nfs/dbraw/zinc/04/36/33/1208043633.db2.gz MNLRASBOHHCFLV-ZDUSSCGKSA-N 1 0 329.347 2.389 20 5 EEBDRO C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000935316175 1208131853 /nfs/dbraw/zinc/13/18/53/1208131853.db2.gz QLWDKLRBPBLNBS-ZLIFDBKOSA-N 1 0 329.400 2.465 20 5 EEBDRO CN(CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001095738337 1208450558 /nfs/dbraw/zinc/45/05/58/1208450558.db2.gz IMFKZNYRGNOTAO-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194700860 1211257459 /nfs/dbraw/zinc/25/74/59/1211257459.db2.gz RGSBOHGXBLODBO-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001114808897 1215470319 /nfs/dbraw/zinc/47/03/19/1215470319.db2.gz BSPOXXSIDGFCPN-HDJSIYSDSA-N 1 0 346.431 2.243 20 5 EEBDRO CCc1ocnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020039073 1229452759 /nfs/dbraw/zinc/45/27/59/1229452759.db2.gz JYPPCGUENAHQHP-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000901329266 1235554595 /nfs/dbraw/zinc/55/45/95/1235554595.db2.gz FSLSLGKAJXPKJS-UHFFFAOYSA-N 1 0 327.743 2.379 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCC[NH2+]1 ZINC000902489527 1237704261 /nfs/dbraw/zinc/70/42/61/1237704261.db2.gz QVQKDDOONDJTTE-HIFRSBDPSA-N 1 0 334.420 2.434 20 5 EEBDRO CCN1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000903392424 1240378217 /nfs/dbraw/zinc/37/82/17/1240378217.db2.gz SDCSLBTWOFSEMO-KRWDZBQOSA-N 1 0 346.431 2.164 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001097078615 1243673845 /nfs/dbraw/zinc/67/38/45/1243673845.db2.gz TVWCCMZSYOZBFS-JOCQHMNTSA-N 1 0 349.435 2.088 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC001101381812 1245743685 /nfs/dbraw/zinc/74/36/85/1245743685.db2.gz GWOJMFNOYMNIPI-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+]1CCCCC1 ZINC001101647213 1246077147 /nfs/dbraw/zinc/07/71/47/1246077147.db2.gz PZDPOHGJGQPOPV-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001101810987 1246207030 /nfs/dbraw/zinc/20/70/30/1246207030.db2.gz FZSWTSCXDITYKZ-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867169538 1283950323 /nfs/dbraw/zinc/95/03/23/1283950323.db2.gz YSRYQIUPJMENHV-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000853232073 1292334387 /nfs/dbraw/zinc/33/43/87/1292334387.db2.gz RAPPSMGURMLRFD-GFCCVEGCSA-N 1 0 330.388 2.136 20 5 EEBDRO C[C@@H](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000855414837 1293209889 /nfs/dbraw/zinc/20/98/89/1293209889.db2.gz BZLGCRLLNAMJDA-VIFPVBQESA-N 1 0 331.775 2.386 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855810630 1293335454 /nfs/dbraw/zinc/33/54/54/1293335454.db2.gz CWVWLPVRXZGTGX-WMLDXEAASA-N 1 0 347.415 2.151 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000858928898 1294265505 /nfs/dbraw/zinc/26/55/05/1294265505.db2.gz XQAWYWLUZHYUBF-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000859853311 1294669918 /nfs/dbraw/zinc/66/99/18/1294669918.db2.gz CMECQPDDIOJPIO-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000863587679 1296347055 /nfs/dbraw/zinc/34/70/55/1296347055.db2.gz RHJCGJSYICGYHH-UKRRQHHQSA-N 1 0 336.779 2.083 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000863587678 1296347813 /nfs/dbraw/zinc/34/78/13/1296347813.db2.gz RHJCGJSYICGYHH-HIFRSBDPSA-N 1 0 336.779 2.083 20 5 EEBDRO COc1cc(O[C@H]2CC[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218180494 1297591686 /nfs/dbraw/zinc/59/16/86/1297591686.db2.gz XWEPMHIJOSHGSU-VIFPVBQESA-N 1 0 343.335 2.107 20 5 EEBDRO Nc1ccc2n(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)c3ccccc3cc-2c1=O ZINC001219256720 1297965280 /nfs/dbraw/zinc/96/52/80/1297965280.db2.gz XKHDDQROWIGFSC-JSGCOSHPSA-N 1 0 339.370 2.276 20 5 EEBDRO CCCOCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222563659 1299686674 /nfs/dbraw/zinc/68/66/74/1299686674.db2.gz FEVJCHQJTKBNOI-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO COC(=O)c1cccc(COC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001223664341 1300216237 /nfs/dbraw/zinc/21/62/37/1300216237.db2.gz GXOCTHIMULNYLM-UHFFFAOYSA-N 1 0 340.351 2.332 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225845774 1301172050 /nfs/dbraw/zinc/17/20/50/1301172050.db2.gz HFYGGKQDEPGAAZ-SNVBAGLBSA-N 1 0 335.282 2.108 20 5 EEBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC001226061828 1301249943 /nfs/dbraw/zinc/24/99/43/1301249943.db2.gz MSVUPXIHTUMJHM-UHFFFAOYSA-N 1 0 342.417 2.250 20 5 EEBDRO CCOCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226543025 1301454976 /nfs/dbraw/zinc/45/49/76/1301454976.db2.gz YSCRBKOBDMICFH-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3C)C[C@H]1[N@@H+]2C ZINC001226992544 1301641984 /nfs/dbraw/zinc/64/19/84/1301641984.db2.gz LTQZNIVXOZCNMP-MPTYRVRUSA-N 1 0 334.372 2.449 20 5 EEBDRO O=c1ccc2[n+]([O-])c3ccc(O[C@@H]4C[NH+]5CCC4CC5)cc3oc-2c1 ZINC001227449139 1301833020 /nfs/dbraw/zinc/83/30/20/1301833020.db2.gz MJYWXXPEYOOVSZ-LJQANCHMSA-N 1 0 338.363 2.004 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229058828 1302594863 /nfs/dbraw/zinc/59/48/63/1302594863.db2.gz FZQCLNLLMQKICP-DRXBFXEBSA-N 1 0 334.372 2.491 20 5 EEBDRO CC(C)[NH+]1CCC(Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)CC1 ZINC001229367328 1302749020 /nfs/dbraw/zinc/74/90/20/1302749020.db2.gz KALRTBMNIVIONS-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO O=c1[nH]nc(OC2CC[NH+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC001229365415 1302749192 /nfs/dbraw/zinc/74/91/92/1302749192.db2.gz UTYWLAAFNMFSST-UHFFFAOYSA-N 1 0 330.344 2.249 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229371822 1302751430 /nfs/dbraw/zinc/75/14/30/1302751430.db2.gz XWHBOGTZROZZNP-QHBPRCKVSA-N 1 0 344.371 2.353 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001111869430 1304028578 /nfs/dbraw/zinc/02/85/78/1304028578.db2.gz QPFXBYSLGIBCLY-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO CSCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120576302 1309620049 /nfs/dbraw/zinc/62/00/49/1309620049.db2.gz FCNKMZJGGCLYAY-UHFFFAOYSA-N 1 0 349.456 2.475 20 5 EEBDRO CC[C@H]1CN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001246803963 1310434438 /nfs/dbraw/zinc/43/44/38/1310434438.db2.gz ORRTZZCDXFNVDL-RYUDHWBXSA-N 1 0 325.384 2.357 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@]3(CO2)CCC[NH2+]C3)n1 ZINC001247931742 1310788339 /nfs/dbraw/zinc/78/83/39/1310788339.db2.gz MUJVDMFTXJVSPR-NHYWBVRUSA-N 1 0 349.322 2.010 20 5 EEBDRO C[N@H+](CCCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000837224239 1315062995 /nfs/dbraw/zinc/06/29/95/1315062995.db2.gz CPJFBCFITWZYAA-UHFFFAOYSA-N 1 0 349.416 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843067692 1315834009 /nfs/dbraw/zinc/83/40/09/1315834009.db2.gz HBQQDROUNRRHLB-KSSFIOAISA-N 1 0 348.374 2.208 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000843068842 1315834221 /nfs/dbraw/zinc/83/42/21/1315834221.db2.gz NFGHHOXHZMFZSN-MAUKXSAKSA-N 1 0 330.384 2.069 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000843222245 1315870072 /nfs/dbraw/zinc/87/00/72/1315870072.db2.gz FMPYANQDJPVKQU-LLVKDONJSA-N 1 0 328.332 2.011 20 5 EEBDRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843348889 1315895874 /nfs/dbraw/zinc/89/58/74/1315895874.db2.gz WONVBSWNNMXFNI-JTQLQIEISA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000843377375 1315903967 /nfs/dbraw/zinc/90/39/67/1315903967.db2.gz PJXWXYHEHGIHSC-PWSUYJOCSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000843472623 1315920316 /nfs/dbraw/zinc/92/03/16/1315920316.db2.gz KDFYRZLRCDVGON-QGZVFWFLSA-N 1 0 332.404 2.006 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC001154585559 1317219034 /nfs/dbraw/zinc/21/90/34/1317219034.db2.gz YVLWFFWIRDGSOO-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO Cc1nc(-n2c3ccccc3nc2N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155579135 1317658419 /nfs/dbraw/zinc/65/84/19/1317658419.db2.gz ULOFYRGUSAEWLY-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO Cc1cc(C)cc(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c1 ZINC001155897835 1317780544 /nfs/dbraw/zinc/78/05/44/1317780544.db2.gz BYZYMJYBPGVKMA-UHFFFAOYSA-N 1 0 342.403 2.023 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001156098107 1317876293 /nfs/dbraw/zinc/87/62/93/1317876293.db2.gz OXMANXREYNJVNY-LLVKDONJSA-N 1 0 335.345 2.110 20 5 EEBDRO Cc1cncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001156111071 1317881117 /nfs/dbraw/zinc/88/11/17/1317881117.db2.gz DWJPYHPUGMGKPS-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=C(CCc1ccoc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156399977 1317995866 /nfs/dbraw/zinc/99/58/66/1317995866.db2.gz GVQKGBZVEVKZPD-UHFFFAOYSA-N 1 0 331.372 2.417 20 5 EEBDRO COC(=O)c1ccnc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001156501174 1318042651 /nfs/dbraw/zinc/04/26/51/1318042651.db2.gz CGHUEPHWCZLUOP-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254481111 1318084355 /nfs/dbraw/zinc/08/43/55/1318084355.db2.gz SKQPREKOFUHMLH-DNVCBOLYSA-N 1 0 344.459 2.447 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(C(N)=O)cc1 ZINC001254545794 1318116896 /nfs/dbraw/zinc/11/68/96/1318116896.db2.gz CSKAZVDCBSCSFJ-CYBMUJFWSA-N 1 0 343.383 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001254571725 1318126410 /nfs/dbraw/zinc/12/64/10/1318126410.db2.gz AVRYZKXGEBEUAQ-HOCLYGCPSA-N 1 0 326.352 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cn(Cc3ccccn3)cn1)C2 ZINC001254585191 1318132482 /nfs/dbraw/zinc/13/24/82/1318132482.db2.gz BVZIWPRTAHIIAY-QGZVFWFLSA-N 1 0 349.394 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)C2 ZINC001254593946 1318136391 /nfs/dbraw/zinc/13/63/91/1318136391.db2.gz OGWLHSRSANPZKV-ZIAGYGMSSA-N 1 0 330.306 2.309 20 5 EEBDRO COCC[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C)CC1 ZINC001254598049 1318139143 /nfs/dbraw/zinc/13/91/43/1318139143.db2.gz GXZYTQROCCJIJF-GOSISDBHSA-N 1 0 333.432 2.105 20 5 EEBDRO CN1C(=O)CCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254611357 1318144371 /nfs/dbraw/zinc/14/43/71/1318144371.db2.gz PSRPZEPNGKNSCV-INIZCTEOSA-N 1 0 329.400 2.149 20 5 EEBDRO O=[N+]([O-])c1[n-]cnc1-c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255456306 1318416721 /nfs/dbraw/zinc/41/67/21/1318416721.db2.gz IBJJDMGZHKIHDS-GFCCVEGCSA-N 1 0 340.343 2.357 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCc3cnoc3)CC2)ccc1[N+](=O)[O-] ZINC001256088030 1318645003 /nfs/dbraw/zinc/64/50/03/1318645003.db2.gz ARUIYCVJKQWMMF-UHFFFAOYSA-N 1 0 346.387 2.393 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093156 1318646010 /nfs/dbraw/zinc/64/60/10/1318646010.db2.gz HHCAUDODGWDNRT-KRWDZBQOSA-N 1 0 335.404 2.029 20 5 EEBDRO COc1cc(N2CCC(N3CC(C)([NH+](C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100994 1318647288 /nfs/dbraw/zinc/64/72/88/1318647288.db2.gz XODQTYOGUQVERN-UHFFFAOYSA-N 1 0 348.447 2.208 20 5 EEBDRO COc1cc(C)nc(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759303 1318841524 /nfs/dbraw/zinc/84/15/24/1318841524.db2.gz LMMVHUMEJNDHQF-AWEZNQCLSA-N 1 0 328.372 2.458 20 5 EEBDRO Cc1ncn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157962067 1318949339 /nfs/dbraw/zinc/94/93/39/1318949339.db2.gz UBMFOOSPVKDUGW-UHFFFAOYSA-N 1 0 342.812 2.033 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C1 ZINC001158267166 1319127020 /nfs/dbraw/zinc/12/70/20/1319127020.db2.gz PYAUSSWDQKPYJN-AWEZNQCLSA-N 1 0 341.415 2.145 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159032238 1319569177 /nfs/dbraw/zinc/56/91/77/1319569177.db2.gz VLPKVMWLQDFTAG-UHFFFAOYSA-N 1 0 325.372 2.292 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC4(C[NH2+]C4)CC3)nn2)cc1 ZINC001159043094 1319576087 /nfs/dbraw/zinc/57/60/87/1319576087.db2.gz SARHDXUITOYQAR-UHFFFAOYSA-N 1 0 325.372 2.242 20 5 EEBDRO COc1ccc(Nc2cccnc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159188612 1319668055 /nfs/dbraw/zinc/66/80/55/1319668055.db2.gz SHYVWCWKOSDMJG-UHFFFAOYSA-N 1 0 329.360 2.152 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc1Cl ZINC001161464263 1320508687 /nfs/dbraw/zinc/50/86/87/1320508687.db2.gz KATASHITPCXIKY-GFCCVEGCSA-N 1 0 339.827 2.190 20 5 EEBDRO COc1cc(NC2(Cc3ccccn3)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161492275 1320517231 /nfs/dbraw/zinc/51/72/31/1320517231.db2.gz ZFYYNEZSTJTZJS-UHFFFAOYSA-N 1 0 343.387 2.170 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC([NH3+])(Cc3ccccc3F)CC2)n1 ZINC001161987840 1320709672 /nfs/dbraw/zinc/70/96/72/1320709672.db2.gz SKHWDKKTJCCSSY-UHFFFAOYSA-N 1 0 345.378 2.373 20 5 EEBDRO COCCC1([NH3+])CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001162042194 1320730919 /nfs/dbraw/zinc/73/09/19/1320730919.db2.gz WNWLQOQHGUCQIF-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO O=[N+]([O-])c1c(NCC[C@@H]2CCOC23C[NH2+]C3)ccc2cnccc21 ZINC001163094547 1321033744 /nfs/dbraw/zinc/03/37/44/1321033744.db2.gz KYPJNOQTZIPEBZ-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO CCOC(=O)c1cnc(N[C@@H]2C[NH2+]Cc3ccsc32)c([N+](=O)[O-])c1 ZINC001163220457 1321070149 /nfs/dbraw/zinc/07/01/49/1321070149.db2.gz QEBJGBQADJMFFL-LLVKDONJSA-N 1 0 348.384 2.484 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163645434 1321179997 /nfs/dbraw/zinc/17/99/97/1321179997.db2.gz VPQWZAJGDGSEMZ-GXTWGEPZSA-N 1 0 326.784 2.356 20 5 EEBDRO COc1nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164608321 1321433803 /nfs/dbraw/zinc/43/38/03/1321433803.db2.gz QHVZSWIHQUDSFA-AWEZNQCLSA-N 1 0 328.372 2.019 20 5 EEBDRO COCCC[NH+]1CCN(c2nc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC001165097195 1321454378 /nfs/dbraw/zinc/45/43/78/1321454378.db2.gz HSSNKHLHUCLYMU-UHFFFAOYSA-N 1 0 328.800 2.110 20 5 EEBDRO Cc1cc(CCC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001166415102 1321715508 /nfs/dbraw/zinc/71/55/08/1321715508.db2.gz HTAPBZNRVKKSAZ-UHFFFAOYSA-N 1 0 346.387 2.120 20 5 EEBDRO CN1CCO[C@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001276597390 1324712240 /nfs/dbraw/zinc/71/22/40/1324712240.db2.gz JRFYKSXZDUPOGI-ROUUACIJSA-N 1 0 334.423 2.298 20 5 EEBDRO COc1cc(C[NH2+]CCNc2ccc(C)cn2)c([N+](=O)[O-])cc1O ZINC001308530876 1331596613 /nfs/dbraw/zinc/59/66/13/1331596613.db2.gz TWNJMGCYORJQKT-UHFFFAOYSA-N 1 0 332.360 2.214 20 5 EEBDRO CC[NH+]1CCC(CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308893055 1331607922 /nfs/dbraw/zinc/60/79/22/1331607922.db2.gz RHAQCRSLZIWBDU-GOSISDBHSA-N 1 0 349.431 2.305 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001317910666 1332442445 /nfs/dbraw/zinc/44/24/45/1332442445.db2.gz AGLXXQRUYMAHRA-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001321004328 1332996067 /nfs/dbraw/zinc/99/60/67/1332996067.db2.gz JVAYILYYTFWXLS-HNNXBMFYSA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001609085000 1351835369 /nfs/dbraw/zinc/83/53/69/1351835369.db2.gz PQAPEALWUPEJCF-UHFFFAOYSA-N 1 0 339.359 2.195 20 5 EEBDRO NC(=O)c1ccnc(Nc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC001323948631 1333577759 /nfs/dbraw/zinc/57/77/59/1333577759.db2.gz LCHVEAXXCPEDID-UHFFFAOYSA-N 1 0 341.371 2.428 20 5 EEBDRO C[S@@](=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC001324442287 1333685427 /nfs/dbraw/zinc/68/54/27/1333685427.db2.gz KOYINKZUFYFAJH-HSZRJFAPSA-N 1 0 333.413 2.298 20 5 EEBDRO COc1cccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC001326083309 1334024859 /nfs/dbraw/zinc/02/48/59/1334024859.db2.gz ZXNKDRDXLRUYDW-HNNXBMFYSA-N 1 0 330.388 2.444 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC001327151185 1334235098 /nfs/dbraw/zinc/23/50/98/1334235098.db2.gz PFPRANYTAUCVAG-LRDDRELGSA-N 1 0 327.388 2.184 20 5 EEBDRO CCOc1cc(C[NH+]2CCC3(CCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC001330730412 1334892295 /nfs/dbraw/zinc/89/22/95/1334892295.db2.gz DOYQECUGSFKCCG-UHFFFAOYSA-N 1 0 333.388 2.096 20 5 EEBDRO Cc1nc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001338097912 1336791402 /nfs/dbraw/zinc/79/14/02/1336791402.db2.gz PEKIZJHALPRCGI-UHFFFAOYSA-N 1 0 336.436 2.217 20 5 EEBDRO C[C@H](c1nnc(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1C)[N+](=O)[O-] ZINC001339668210 1337048523 /nfs/dbraw/zinc/04/85/23/1337048523.db2.gz ONDUXRRNCWBORQ-UONOGXRCSA-N 1 0 344.419 2.036 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C2CC2)CCOCC1 ZINC001340920549 1337266344 /nfs/dbraw/zinc/26/63/44/1337266344.db2.gz CNAPYOQWISUFTD-UHFFFAOYSA-N 1 0 333.388 2.391 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001575942579 1343920226 /nfs/dbraw/zinc/92/02/26/1343920226.db2.gz GFPJXFFVZHACHY-SECBINFHSA-N 1 0 344.209 2.143 20 5 EEBDRO CN(C)c1cccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001578426750 1344277848 /nfs/dbraw/zinc/27/78/48/1344277848.db2.gz DQWUHBMBSLDTRD-GOSISDBHSA-N 1 0 342.399 2.151 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001579576921 1344396832 /nfs/dbraw/zinc/39/68/32/1344396832.db2.gz BYCSPERZGYQBHW-SCLBCKFNSA-N 1 0 347.415 2.113 20 5 EEBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001579608977 1344400154 /nfs/dbraw/zinc/40/01/54/1344400154.db2.gz WLNOUMMMOCBVJE-GDBMZVCRSA-N 1 0 329.331 2.397 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2C[C@H]([NH3+])C23CCC3)c([N+](=O)[O-])c1=O ZINC001579947069 1344438020 /nfs/dbraw/zinc/43/80/20/1344438020.db2.gz GYVIHOQLAAURMY-QWHCGFSZSA-N 1 0 328.372 2.129 20 5 EEBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001580207442 1344490504 /nfs/dbraw/zinc/49/05/04/1344490504.db2.gz UKJVWPXUJPCJBT-CQSZACIVSA-N 1 0 329.331 2.193 20 5 EEBDRO [NH3+][C@H]1C[C@@](C(=O)NCCc2cccc([N+](=O)[O-])c2)(c2ccccc2)C1 ZINC001580425533 1344518935 /nfs/dbraw/zinc/51/89/35/1344518935.db2.gz JETPGAGONVQBDA-RUCARUNLSA-N 1 0 339.395 2.313 20 5 EEBDRO Nc1c(NC(=O)N2CC3(C2)CC[NH2+]CC3)cc(Cl)cc1[N+](=O)[O-] ZINC001580432457 1344519560 /nfs/dbraw/zinc/51/95/60/1344519560.db2.gz QWDXWDCKDOZZJF-UHFFFAOYSA-N 1 0 339.783 2.048 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@H]2CCC[NH2+]2)n1 ZINC001580493589 1344526152 /nfs/dbraw/zinc/52/61/52/1344526152.db2.gz IOTASPGRVIQPJT-BMWLXYDHSA-N 1 0 339.355 2.461 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001589630103 1349013320 /nfs/dbraw/zinc/01/33/20/1349013320.db2.gz RAKFVNIHYCHKBN-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO C[N@H+](CCCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C1CC1 ZINC001591065230 1349437445 /nfs/dbraw/zinc/43/74/45/1349437445.db2.gz IGWWJZQZLFTESW-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605723102 1351217825 /nfs/dbraw/zinc/21/78/25/1351217825.db2.gz ODRZJCJLRGDPHG-KGLIPLIRSA-N 1 0 345.407 2.224 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC001607084062 1351411016 /nfs/dbraw/zinc/41/10/16/1351411016.db2.gz RXLQTRWHKDVRLH-GFCCVEGCSA-N 1 0 328.376 2.397 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558295 1368035586 /nfs/dbraw/zinc/03/55/86/1368035586.db2.gz YQDHJIOJBYFTCK-LLVKDONJSA-N 1 0 332.404 2.229 20 5 EEBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172920515 1368128055 /nfs/dbraw/zinc/12/80/55/1368128055.db2.gz JXXISWQXODEGKQ-SIXLDLHFSA-N 1 0 330.384 2.193 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@H](CCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488901 1371301841 /nfs/dbraw/zinc/30/18/41/1371301841.db2.gz JPUJRWQPIUYDQS-GFCCVEGCSA-N 1 0 339.367 2.157 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC001118029470 1371774561 /nfs/dbraw/zinc/77/45/61/1371774561.db2.gz YIJYSHHLDREBIN-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839537473 1372909019 /nfs/dbraw/zinc/90/90/19/1372909019.db2.gz VOKOHLZSFIPLIA-KBRIMQKVSA-N 1 0 331.416 2.342 20 5 EEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341895219 1372935569 /nfs/dbraw/zinc/93/55/69/1372935569.db2.gz ZZZFJERMNHYNDP-VNQPRFMTSA-N 1 0 329.400 2.489 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001577309496 1403637336 /nfs/dbraw/zinc/63/73/36/1403637336.db2.gz WOOSVAOQXIOTER-GXTWGEPZSA-N 1 0 328.372 2.200 20 5 EEBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001580265765 1403855237 /nfs/dbraw/zinc/85/52/37/1403855237.db2.gz QOPHHDWPCKERFY-GFCCVEGCSA-N 1 0 347.396 2.236 20 5 EEBDRO O=C(NC[C@@H]1CC[NH2+]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001580660808 1403865427 /nfs/dbraw/zinc/86/54/27/1403865427.db2.gz GYHYZSFFPSWAAD-AWEZNQCLSA-N 1 0 340.383 2.299 20 5 EEBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001580670621 1403866554 /nfs/dbraw/zinc/86/65/54/1403866554.db2.gz JNUGNXGNIWDBKY-HNNXBMFYSA-N 1 0 329.331 2.178 20 5 EEBDRO CCn1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001167435601 759375332 /nfs/dbraw/zinc/37/53/32/759375332.db2.gz GZMFPSDFSAALGC-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO O=C(CCC1CCOCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167580651 760437624 /nfs/dbraw/zinc/43/76/24/760437624.db2.gz GORKHQHYMKEHEZ-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000918573453 769229877 /nfs/dbraw/zinc/22/98/77/769229877.db2.gz BDIOBVYFZYRXHT-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167753304 769548864 /nfs/dbraw/zinc/54/88/64/769548864.db2.gz GWLRRVKAOLWKNT-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000919874746 770394413 /nfs/dbraw/zinc/39/44/13/770394413.db2.gz DIBIDXJNLLZGRL-UHFFFAOYSA-N 1 0 349.435 2.099 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])n1 ZINC001168412278 790619944 /nfs/dbraw/zinc/61/99/44/790619944.db2.gz WGJQHDCDWTZODQ-UHFFFAOYSA-N 1 0 341.784 2.010 20 5 EEBDRO CC[N@H+](C)C[C@@H](O)COc1cccc(Br)c1[N+](=O)[O-] ZINC000905981375 783616061 /nfs/dbraw/zinc/61/60/61/783616061.db2.gz UYDCOYUQTUVLEJ-SECBINFHSA-N 1 0 333.182 2.049 20 5 EEBDRO C[C@@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818291446 785237159 /nfs/dbraw/zinc/23/71/59/785237159.db2.gz WCIBIGXGOZTVKA-LLVKDONJSA-N 1 0 348.359 2.107 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818524389 785271626 /nfs/dbraw/zinc/27/16/26/785271626.db2.gz KCEQUXHRLMVOGU-UHFFFAOYSA-N 1 0 329.759 2.140 20 5 EEBDRO O=C1CCCCCN1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818941393 785333063 /nfs/dbraw/zinc/33/30/63/785333063.db2.gz UPNNYQSIKQJXLA-INIZCTEOSA-N 1 0 335.404 2.011 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000818948399 785338625 /nfs/dbraw/zinc/33/86/25/785338625.db2.gz DEQHGIKDHYKGER-ONGXEEELSA-N 1 0 335.187 2.118 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979532 785348438 /nfs/dbraw/zinc/34/84/38/785348438.db2.gz PLLHODGAKZCTKN-RHSMWYFYSA-N 1 0 341.367 2.023 20 5 EEBDRO COc1c(C)cnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000818988469 785354332 /nfs/dbraw/zinc/35/43/32/785354332.db2.gz QMDUMKUOBGSCIM-INIZCTEOSA-N 1 0 331.372 2.438 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972248 785366973 /nfs/dbraw/zinc/36/69/73/785366973.db2.gz HSAMNWFJKURSDN-FZMZJTMJSA-N 1 0 347.337 2.102 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000819298032 785490296 /nfs/dbraw/zinc/49/02/96/785490296.db2.gz ARHBYWYJUURNGP-CYBMUJFWSA-N 1 0 339.298 2.414 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910278288 786609511 /nfs/dbraw/zinc/60/95/11/786609511.db2.gz CWCYIWCCWVXFRO-GFCCVEGCSA-N 1 0 335.404 2.468 20 5 EEBDRO Cc1cnc(NC/C=C\CNC(=O)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107268829 786667968 /nfs/dbraw/zinc/66/79/68/786667968.db2.gz BJNXLGSQWXHKQE-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000822789997 787380664 /nfs/dbraw/zinc/38/06/64/787380664.db2.gz BJNHEALTWICVNL-MEDUHNTESA-N 1 0 329.360 2.099 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938575 787993287 /nfs/dbraw/zinc/99/32/87/787993287.db2.gz IVFSFJBNMPSDAU-AAEUAGOBSA-N 1 0 333.392 2.268 20 5 EEBDRO CCCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000843989335 788769056 /nfs/dbraw/zinc/76/90/56/788769056.db2.gz NPZIKPVGXJERQZ-NSHDSACASA-N 1 0 349.416 2.156 20 5 EEBDRO O=C(C1=CCOCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000991548658 789396859 /nfs/dbraw/zinc/39/68/59/789396859.db2.gz PVRDRZGQYJFICG-UHFFFAOYSA-N 1 0 345.399 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@H](C)n1ccnc1 ZINC000845276328 789703651 /nfs/dbraw/zinc/70/36/51/789703651.db2.gz ACVGLVCAFNVMOD-LBPRGKRZSA-N 1 0 346.343 2.233 20 5 EEBDRO [NH3+]CCC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846225719 790094302 /nfs/dbraw/zinc/09/43/02/790094302.db2.gz RPELLWDPPZKNLI-UHFFFAOYSA-N 1 0 340.811 2.248 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000784221934 791219404 /nfs/dbraw/zinc/21/94/04/791219404.db2.gz ILVWDUUJRREPND-MNOVXSKESA-N 1 0 334.294 2.219 20 5 EEBDRO CSCCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001146959388 791598315 /nfs/dbraw/zinc/59/83/15/791598315.db2.gz RIZFDQUOQRVTNV-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO CC(C)(C)c1ocnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147130812 791693500 /nfs/dbraw/zinc/69/35/00/791693500.db2.gz HXPJZJJNCGYUKT-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1F)c1ccn2c[nH+]cc2c1 ZINC001094253147 796041105 /nfs/dbraw/zinc/04/11/05/796041105.db2.gz GVSSBMMLLGAGQL-UHFFFAOYSA-N 1 0 343.318 2.224 20 5 EEBDRO C[NH+](C)C[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172904579 797131008 /nfs/dbraw/zinc/13/10/08/797131008.db2.gz OPWNDWFDSQWISY-FUHWJXTLSA-N 1 0 333.432 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1F ZINC001173178138 797278011 /nfs/dbraw/zinc/27/80/11/797278011.db2.gz AIUFIFSLHOVXQC-HQJQHLMTSA-N 1 0 340.273 2.186 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001173236688 797322310 /nfs/dbraw/zinc/32/23/10/797322310.db2.gz FBHXURRDULLSIM-CZUORRHYSA-N 1 0 328.372 2.469 20 5 EEBDRO C[NH+](C)CCCCC(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095185819 797496472 /nfs/dbraw/zinc/49/64/72/797496472.db2.gz LTCHXFGGMIHQQR-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154457858 798290158 /nfs/dbraw/zinc/29/01/58/798290158.db2.gz NWJLDXFYIRMBID-GJZGRUSLSA-N 1 0 336.388 2.434 20 5 EEBDRO Cc1cccc(CCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002788926 798611150 /nfs/dbraw/zinc/61/11/50/798611150.db2.gz QHGYFNGQZGCAPU-QZTJIDSGSA-N 1 0 345.443 2.173 20 5 EEBDRO O=C(CCc1cscn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177321993 798860706 /nfs/dbraw/zinc/86/07/06/798860706.db2.gz XCHZGNAEXPWYQM-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)C(C)(C)C ZINC001180127466 800282991 /nfs/dbraw/zinc/28/29/91/800282991.db2.gz ZYRMAICKTQFWQZ-UHFFFAOYSA-N 1 0 339.440 2.141 20 5 EEBDRO CC[NH+](CC)CCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000786788986 806891793 /nfs/dbraw/zinc/89/17/93/806891793.db2.gz YRFWYGSJGWGFOU-UHFFFAOYSA-N 1 0 347.371 2.407 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001086098986 802168262 /nfs/dbraw/zinc/16/82/62/802168262.db2.gz GMKLAAVYPIPURK-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C1NCCCN1c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168997184 803562777 /nfs/dbraw/zinc/56/27/77/803562777.db2.gz BWAWFWQICDHUNI-CABCVRRESA-N 1 0 332.404 2.141 20 5 EEBDRO CC1(COc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cn2)COC1 ZINC001168997935 803563596 /nfs/dbraw/zinc/56/35/96/803563596.db2.gz GRPJRXBVDINWIX-DZGCQCFKSA-N 1 0 335.404 2.032 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]1C2 ZINC001169006893 803568498 /nfs/dbraw/zinc/56/84/98/803568498.db2.gz ZPZBJABHMZAHGQ-YTFOTSKYSA-N 1 0 339.436 2.419 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)C1 ZINC001169021697 803588476 /nfs/dbraw/zinc/58/84/76/803588476.db2.gz PQOJAFAECSEDHV-BRWVUGGUSA-N 1 0 348.447 2.187 20 5 EEBDRO O=C(c1ccccc1)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169022331 803588805 /nfs/dbraw/zinc/58/88/05/803588805.db2.gz SCYDRCICTPKBCN-DZJNRPSUSA-N 1 0 343.427 2.136 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001169047042 803593022 /nfs/dbraw/zinc/59/30/22/803593022.db2.gz QJSBBHWQYAQCST-DYVFJYSZSA-N 1 0 349.406 2.465 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055783 803596966 /nfs/dbraw/zinc/59/69/66/803596966.db2.gz QHLIULMCSCAXDW-HLLBOEOZSA-N 1 0 331.416 2.278 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001169075860 803605185 /nfs/dbraw/zinc/60/51/85/803605185.db2.gz QPXUOQLFJFEMIJ-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO Cc1cccc(OS(=O)(=O)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000867011755 804135099 /nfs/dbraw/zinc/13/50/99/804135099.db2.gz WFXKLZOZLBCBSS-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787599501 807174401 /nfs/dbraw/zinc/17/44/01/807174401.db2.gz RYTAEQBZQVJSKI-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788474954 807542725 /nfs/dbraw/zinc/54/27/25/807542725.db2.gz POHSPLRCQNHXPF-INIZCTEOSA-N 1 0 346.387 2.142 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cccc(F)c1[N+](=O)[O-] ZINC000790610371 808846613 /nfs/dbraw/zinc/84/66/13/808846613.db2.gz ZRXIXGAZRMHKRC-JTQLQIEISA-N 1 0 341.412 2.009 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+](C)C)cc1SC ZINC000791841507 809453486 /nfs/dbraw/zinc/45/34/86/809453486.db2.gz FQMSVZLSJRYIRU-UHFFFAOYSA-N 1 0 328.390 2.434 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170329346 809894252 /nfs/dbraw/zinc/89/42/52/809894252.db2.gz OYIKHCLHTPUEEA-WCQYABFASA-N 1 0 344.358 2.484 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(C)(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170344346 809915380 /nfs/dbraw/zinc/91/53/80/809915380.db2.gz AUOPPYKYDSNPJA-GFCCVEGCSA-N 1 0 335.404 2.122 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)C1 ZINC000793766434 810503104 /nfs/dbraw/zinc/50/31/04/810503104.db2.gz LBDBCYRKLBYTKL-GOSISDBHSA-N 1 0 341.415 2.443 20 5 EEBDRO O=C(CC1CC(F)(F)C1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130434716 811659874 /nfs/dbraw/zinc/65/98/74/811659874.db2.gz NUMMQAZCUJYIRV-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001514707682 1118843296 /nfs/dbraw/zinc/84/32/96/1118843296.db2.gz MQLUMJAQCCJESG-BONVTDFDSA-N 1 0 341.770 2.188 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001523605773 1119816941 /nfs/dbraw/zinc/81/69/41/1119816941.db2.gz NVDYBHJTHIQVOT-BPNCWPANSA-N 1 0 335.429 2.462 20 5 EEBDRO CNC(=O)c1ccc(N(CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000420257844 529940567 /nfs/dbraw/zinc/94/05/67/529940567.db2.gz XATMKCKIJKLCKW-UHFFFAOYSA-N 1 0 334.420 2.300 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000067612677 215168862 /nfs/dbraw/zinc/16/88/62/215168862.db2.gz DEVGSHOTXDPCLT-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000104186111 219357168 /nfs/dbraw/zinc/35/71/68/219357168.db2.gz RPZQHOTXQQKDBK-LLVKDONJSA-N 1 0 346.412 2.400 20 5 EEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456046217 283248823 /nfs/dbraw/zinc/24/88/23/283248823.db2.gz FXPGNVDDPNEMOZ-UHFFFAOYSA-N 1 0 349.435 2.370 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129389202 223051647 /nfs/dbraw/zinc/05/16/47/223051647.db2.gz MZFMEPAZXHNRFU-NEPJUHHUSA-N 1 0 339.367 2.298 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000416303737 239172944 /nfs/dbraw/zinc/17/29/44/239172944.db2.gz SGIHKTQYVBBMQX-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000419012935 239399837 /nfs/dbraw/zinc/39/98/37/239399837.db2.gz XXTSXRFHFFMLOO-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422863831 240263777 /nfs/dbraw/zinc/26/37/77/240263777.db2.gz SJODKOIAKXJNME-HNNXBMFYSA-N 1 0 339.370 2.288 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236799380 242361571 /nfs/dbraw/zinc/36/15/71/242361571.db2.gz NTYFHPIBDIQBDV-AWEZNQCLSA-N 1 0 343.449 2.206 20 5 EEBDRO C[NH+](C)C1(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000447811116 242320356 /nfs/dbraw/zinc/32/03/56/242320356.db2.gz CPIIILFSUBFJRI-UHFFFAOYSA-N 1 0 348.447 2.323 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000449941285 242680922 /nfs/dbraw/zinc/68/09/22/242680922.db2.gz VQKXLMKPJZCKIR-JTQLQIEISA-N 1 0 341.383 2.449 20 5 EEBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450363930 242796039 /nfs/dbraw/zinc/79/60/39/242796039.db2.gz LPRVTXGBRGGKKA-UHFFFAOYSA-N 1 0 337.424 2.020 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499064 243135869 /nfs/dbraw/zinc/13/58/69/243135869.db2.gz LELXHMUTIPPOBM-IUIKQTSFSA-N 1 0 335.404 2.491 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499066 243136738 /nfs/dbraw/zinc/13/67/38/243136738.db2.gz LELXHMUTIPPOBM-XFBWCDHKSA-N 1 0 335.404 2.491 20 5 EEBDRO CNc1nc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455558227 244027127 /nfs/dbraw/zinc/02/71/27/244027127.db2.gz UANWYYIOUMPILV-RYUDHWBXSA-N 1 0 335.408 2.024 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262038738 244769087 /nfs/dbraw/zinc/76/90/87/244769087.db2.gz FZPIFTACSZPZBN-STQMWFEESA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459755452 245236473 /nfs/dbraw/zinc/23/64/73/245236473.db2.gz OQTQFCXJLSGOLT-VXGBXAGGSA-N 1 0 331.376 2.396 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150795758 223741186 /nfs/dbraw/zinc/74/11/86/223741186.db2.gz IYELIPYZOUZCJG-HUUCEWRRSA-N 1 0 346.431 2.340 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000266499851 248332952 /nfs/dbraw/zinc/33/29/52/248332952.db2.gz WVFKMTBGTGHKPC-HOTGVXAUSA-N 1 0 334.351 2.128 20 5 EEBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000266513221 248339871 /nfs/dbraw/zinc/33/98/71/248339871.db2.gz FMWBSROKFGUMFH-UHFFFAOYSA-N 1 0 326.393 2.465 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261570 256042880 /nfs/dbraw/zinc/04/28/80/256042880.db2.gz WVFGZLJHRANNGB-TZMCWYRMSA-N 1 0 342.403 2.290 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270547005 256146769 /nfs/dbraw/zinc/14/67/69/256146769.db2.gz YVPQKMNZQZPADL-VOTDVEDPSA-N 1 0 335.429 2.112 20 5 EEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000272943692 256251414 /nfs/dbraw/zinc/25/14/14/256251414.db2.gz ODHLMSQTEZSEQX-KRWDZBQOSA-N 1 0 342.395 2.434 20 5 EEBDRO C[C@@]1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273026357 256258195 /nfs/dbraw/zinc/25/81/95/256258195.db2.gz RGMPDIALBLLHEH-GOSISDBHSA-N 1 0 346.431 2.315 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000273168385 256272268 /nfs/dbraw/zinc/27/22/68/256272268.db2.gz OONMAXPYXCCQRA-HOTGVXAUSA-N 1 0 346.383 2.048 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273927517 256338967 /nfs/dbraw/zinc/33/89/67/256338967.db2.gz HFQFPTGVQPVTAF-LBPRGKRZSA-N 1 0 337.395 2.422 20 5 EEBDRO CCC1(CC)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000274285884 256370698 /nfs/dbraw/zinc/37/06/98/256370698.db2.gz FDLKXKWJCLBESM-UHFFFAOYSA-N 1 0 325.434 2.364 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000274664416 256377643 /nfs/dbraw/zinc/37/76/43/256377643.db2.gz GXQNEKYCZPNDTB-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[NH2+]CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000236992058 285599521 /nfs/dbraw/zinc/59/95/21/285599521.db2.gz UFLOTPNBTZPTIE-OKILXGFUSA-N 1 0 348.447 2.416 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054647069 292140246 /nfs/dbraw/zinc/14/02/46/292140246.db2.gz RESJIHPKDMMFSL-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO CCC(=O)c1ccc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000359470400 153385827 /nfs/dbraw/zinc/38/58/27/153385827.db2.gz DTEUJLOVPYBUIA-ZDUSSCGKSA-N 1 0 334.420 2.235 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000249004470 160370962 /nfs/dbraw/zinc/37/09/62/160370962.db2.gz HUWXFOMMTLBBAQ-CGTJXYLNSA-N 1 0 344.415 2.153 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262064805 160436650 /nfs/dbraw/zinc/43/66/50/160436650.db2.gz SAGVVLLRZXQEGY-ZDUSSCGKSA-N 1 0 342.193 2.168 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158539141 159706861 /nfs/dbraw/zinc/70/68/61/159706861.db2.gz DHAWIIKFLODWPL-SWLSCSKDSA-N 1 0 343.387 2.028 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000193979026 160189787 /nfs/dbraw/zinc/18/97/87/160189787.db2.gz YQHZMBHYJXMZPR-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343380241 161130441 /nfs/dbraw/zinc/13/04/41/161130441.db2.gz ASLFWHFAIKLBJJ-RXBJYRPYSA-N 1 0 328.372 2.461 20 5 EEBDRO CCC[C@@]1(CO)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344132125 161200833 /nfs/dbraw/zinc/20/08/33/161200833.db2.gz OVZALBRDIKRSSA-SJLPKXTDSA-N 1 0 347.415 2.185 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000346323502 161363043 /nfs/dbraw/zinc/36/30/43/161363043.db2.gz LBAYCYBDHSKGKQ-CYBMUJFWSA-N 1 0 334.376 2.339 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000346685655 161391659 /nfs/dbraw/zinc/39/16/59/161391659.db2.gz IVCVGHUCJIPALM-OLZOCXBDSA-N 1 0 349.387 2.115 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000356210660 163367133 /nfs/dbraw/zinc/36/71/33/163367133.db2.gz DPOAHJGCSBGXSC-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367869989 166013031 /nfs/dbraw/zinc/01/30/31/166013031.db2.gz YSWMGODTZZAHRK-UKRRQHHQSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000358915168 164014901 /nfs/dbraw/zinc/01/49/01/164014901.db2.gz NUNZEYUNESTAOL-ZJUUUORDSA-N 1 0 329.784 2.130 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000360805067 164383539 /nfs/dbraw/zinc/38/35/39/164383539.db2.gz YWGTZUVHTGIQSZ-GFCCVEGCSA-N 1 0 345.403 2.188 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000369911222 166355753 /nfs/dbraw/zinc/35/57/53/166355753.db2.gz KCRMCGRBRSWKCM-BPLDGKMQSA-N 1 0 344.415 2.369 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412642 167038065 /nfs/dbraw/zinc/03/80/65/167038065.db2.gz VFHUZHVSAMDVQM-CKEIUWERSA-N 1 0 345.399 2.059 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000375870423 167215671 /nfs/dbraw/zinc/21/56/71/167215671.db2.gz HIEGGIXJDXJFOE-GJZGRUSLSA-N 1 0 346.431 2.482 20 5 EEBDRO CC(=O)c1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000376174280 167275961 /nfs/dbraw/zinc/27/59/61/167275961.db2.gz QMGLNHSTKZFDHZ-MRXNPFEDSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000376434904 167324515 /nfs/dbraw/zinc/32/45/15/167324515.db2.gz QHHFHYKSXXHMDQ-INIZCTEOSA-N 1 0 339.367 2.299 20 5 EEBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000249045023 292649311 /nfs/dbraw/zinc/64/93/11/292649311.db2.gz VSUOSCWJSPHDPX-PVAVHDDUSA-N 1 0 347.415 2.198 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042631 268779332 /nfs/dbraw/zinc/77/93/32/268779332.db2.gz SIUOQBSNLTWIEB-OJDYBEQGSA-N 1 0 345.399 2.469 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272247222 268936492 /nfs/dbraw/zinc/93/64/92/268936492.db2.gz ONWHMPMKYHOJOJ-VIFPVBQESA-N 1 0 337.405 2.060 20 5 EEBDRO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000272784287 269020961 /nfs/dbraw/zinc/02/09/61/269020961.db2.gz FLZGIFJZQLOYJK-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000275258597 269105373 /nfs/dbraw/zinc/10/53/73/269105373.db2.gz RPXRYPMOGQYWPE-HIFRSBDPSA-N 1 0 337.376 2.089 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277656602 269168030 /nfs/dbraw/zinc/16/80/30/269168030.db2.gz VUTLOTMRGNSWQJ-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000277764694 269180772 /nfs/dbraw/zinc/18/07/72/269180772.db2.gz KMONLRGLQAMXSI-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278135702 269210888 /nfs/dbraw/zinc/21/08/88/269210888.db2.gz NNIKXKNOQHRKKM-UHFFFAOYSA-N 1 0 346.431 2.311 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000278655665 269239789 /nfs/dbraw/zinc/23/97/89/269239789.db2.gz MURHJKPRDWPPSL-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC=CCC1 ZINC000279623440 269295689 /nfs/dbraw/zinc/29/56/89/269295689.db2.gz BCKFJCAOIJVPQY-CQSZACIVSA-N 1 0 332.404 2.163 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cn1 ZINC000280309577 269349634 /nfs/dbraw/zinc/34/96/34/269349634.db2.gz GHKPRCPLSSVUCR-SECBINFHSA-N 1 0 340.181 2.300 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000280927879 269398567 /nfs/dbraw/zinc/39/85/67/269398567.db2.gz GVSDUDVNFLMEJP-LBPRGKRZSA-N 1 0 334.332 2.084 20 5 EEBDRO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000269663627 274116786 /nfs/dbraw/zinc/11/67/86/274116786.db2.gz RJWDPTJZQCDEEA-HIFRSBDPSA-N 1 0 332.360 2.199 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000277563442 274310306 /nfs/dbraw/zinc/31/03/06/274310306.db2.gz KGMYVGMSRMXVRS-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000285017741 274666014 /nfs/dbraw/zinc/66/60/14/274666014.db2.gz HISFORYOORSYHV-KBPBESRZSA-N 1 0 326.418 2.083 20 5 EEBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000311094643 275041289 /nfs/dbraw/zinc/04/12/89/275041289.db2.gz ZNKIXGZZHMLBER-JKSUJKDBSA-N 1 0 339.399 2.343 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000288540060 275068339 /nfs/dbraw/zinc/06/83/39/275068339.db2.gz KURSSSPCADETKR-SUMWQHHRSA-N 1 0 330.340 2.188 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000288543742 275068798 /nfs/dbraw/zinc/06/87/98/275068798.db2.gz VFGRFEDWDOBRNF-ZIAGYGMSSA-N 1 0 332.404 2.092 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289320985 275109419 /nfs/dbraw/zinc/10/94/19/275109419.db2.gz BQJIXVGQIZHIAI-UHFFFAOYSA-N 1 0 344.799 2.338 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000289327636 275109694 /nfs/dbraw/zinc/10/96/94/275109694.db2.gz VHGLZFPQHNSPLJ-HDJSIYSDSA-N 1 0 334.420 2.278 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289684177 275138991 /nfs/dbraw/zinc/13/89/91/275138991.db2.gz GNAXONNQKVBCMJ-VXGBXAGGSA-N 1 0 330.331 2.312 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000291640908 275325575 /nfs/dbraw/zinc/32/55/75/275325575.db2.gz BFDVQWZBSMXACT-CYBMUJFWSA-N 1 0 349.366 2.052 20 5 EEBDRO CC[NH+](CC)CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000339020334 276095744 /nfs/dbraw/zinc/09/57/44/276095744.db2.gz FCIBAASIWFJNIE-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578661 276700418 /nfs/dbraw/zinc/70/04/18/276700418.db2.gz GIYQSQWXHLORFX-CABCVRRESA-N 1 0 332.408 2.361 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000267411261 276833638 /nfs/dbraw/zinc/83/36/38/276833638.db2.gz OPPDSELSIUTDIP-LSDHHAIUSA-N 1 0 334.420 2.309 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C2(CCCCC2)C1 ZINC000188124844 277096787 /nfs/dbraw/zinc/09/67/87/277096787.db2.gz KQTLTKLXNZLFJL-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C2(CCCCC2)C1 ZINC000176994016 277099229 /nfs/dbraw/zinc/09/92/29/277099229.db2.gz WMDJQUDUDBVXBN-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000237751743 278839948 /nfs/dbraw/zinc/83/99/48/278839948.db2.gz VAJQWMWOHHOLEY-AWEZNQCLSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262128614 279158445 /nfs/dbraw/zinc/15/84/45/279158445.db2.gz WNUBXGJLBCHKBB-ZDUSSCGKSA-N 1 0 331.294 2.425 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072834736 279169219 /nfs/dbraw/zinc/16/92/19/279169219.db2.gz OBOFJWURNKSDPT-BBRMVZONSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261621420 280198420 /nfs/dbraw/zinc/19/84/20/280198420.db2.gz AANWWUYGWRTAMI-UWVGGRQHSA-N 1 0 341.209 2.106 20 5 EEBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269176529 289921641 /nfs/dbraw/zinc/92/16/41/289921641.db2.gz HBOFWIOYZYRFOK-ZFWWWQNUSA-N 1 0 346.431 2.313 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000295419894 293713827 /nfs/dbraw/zinc/71/38/27/293713827.db2.gz XZUOBJMLKYHHGH-LSDHHAIUSA-N 1 0 335.404 2.084 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000297392437 294231563 /nfs/dbraw/zinc/23/15/63/294231563.db2.gz RBSOFEOOFPCALT-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237903834 295248632 /nfs/dbraw/zinc/24/86/32/295248632.db2.gz XNFYYCKAJXPGEE-ONGXEEELSA-N 1 0 347.824 2.044 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262106694 297250015 /nfs/dbraw/zinc/25/00/15/297250015.db2.gz ZTFPQJVMJACDHI-BDAKNGLRSA-N 1 0 331.294 2.423 20 5 EEBDRO Cc1cc(F)cc(C(=O)N2CCC(OCCC[NH3+])CC2)c1[N+](=O)[O-] ZINC000237657170 301298816 /nfs/dbraw/zinc/29/88/16/301298816.db2.gz WNVZHRLFMYMCGN-UHFFFAOYSA-N 1 0 339.367 2.012 20 5 EEBDRO Cc1cc(N2CCCO[C@@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420289897 301334977 /nfs/dbraw/zinc/33/49/77/301334977.db2.gz UTSCXANAYGWHFM-JTQLQIEISA-N 1 0 333.310 2.476 20 5 EEBDRO O=C(NCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000447580216 303768762 /nfs/dbraw/zinc/76/87/62/303768762.db2.gz NOQNEPWTTURRIM-LSDHHAIUSA-N 1 0 349.435 2.171 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000164918146 311390096 /nfs/dbraw/zinc/39/00/96/311390096.db2.gz JDBRAFLSNRMSBT-WMLDXEAASA-N 1 0 349.431 2.437 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000326414273 311603865 /nfs/dbraw/zinc/60/38/65/311603865.db2.gz SYRRFNPRHZVRIK-CQSZACIVSA-N 1 0 331.376 2.434 20 5 EEBDRO CO[C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000415576379 313147552 /nfs/dbraw/zinc/14/75/52/313147552.db2.gz GCDMCQKVWMRWRW-CHWSQXEVSA-N 1 0 336.392 2.182 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417717065 313574996 /nfs/dbraw/zinc/57/49/96/313574996.db2.gz MIIZAKLMCBUNPA-KGLIPLIRSA-N 1 0 349.435 2.132 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621262 315088807 /nfs/dbraw/zinc/08/88/07/315088807.db2.gz CAPPDZGSJCTVFI-RRFJBIMHSA-N 1 0 333.388 2.103 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000449201067 315431580 /nfs/dbraw/zinc/43/15/80/315431580.db2.gz HXHYLWQMAHPCGR-QWHCGFSZSA-N 1 0 333.388 2.065 20 5 EEBDRO CN1CCC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000539809098 318063704 /nfs/dbraw/zinc/06/37/04/318063704.db2.gz KCSYHPZNALYKBL-INIZCTEOSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000541019755 318090820 /nfs/dbraw/zinc/09/08/20/318090820.db2.gz JYCZWTFRYBQINT-GFCCVEGCSA-N 1 0 344.293 2.133 20 5 EEBDRO C[N@@H+](Cc1cccc(O)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348388 318097257 /nfs/dbraw/zinc/09/72/57/318097257.db2.gz CUZZSCXORSYOTC-HNNXBMFYSA-N 1 0 332.356 2.172 20 5 EEBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000541348541 318097410 /nfs/dbraw/zinc/09/74/10/318097410.db2.gz BYMSDKYCMXSHDT-JHJVBQTASA-N 1 0 326.418 2.160 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000546705212 318262361 /nfs/dbraw/zinc/26/23/61/318262361.db2.gz QEFLTYHRPBVUDD-UHFFFAOYSA-N 1 0 345.403 2.490 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000562544868 318895262 /nfs/dbraw/zinc/89/52/62/318895262.db2.gz NHTYNKQQJGUNRA-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C ZINC000565481841 319186659 /nfs/dbraw/zinc/18/66/59/319186659.db2.gz IAURUDRTXOBHCN-KBPBESRZSA-N 1 0 346.431 2.020 20 5 EEBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCS1 ZINC000566004736 319234224 /nfs/dbraw/zinc/23/42/24/319234224.db2.gz ATLOETQBNZGDRC-SWLSCSKDSA-N 1 0 326.418 2.210 20 5 EEBDRO C[C@@H](CN1CCCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566106468 319245082 /nfs/dbraw/zinc/24/50/82/319245082.db2.gz QWSGUZLGGAJBHS-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@H](CN1CCCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566106469 319245163 /nfs/dbraw/zinc/24/51/63/319245163.db2.gz QWSGUZLGGAJBHS-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000566251216 319264882 /nfs/dbraw/zinc/26/48/82/319264882.db2.gz NFCAHAGBRJJIAD-UKRRQHHQSA-N 1 0 346.431 2.055 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000567726088 319411579 /nfs/dbraw/zinc/41/15/79/319411579.db2.gz YOZUTKVJJSXQON-MRXNPFEDSA-N 1 0 345.399 2.061 20 5 EEBDRO Cc1ccncc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572406986 319843636 /nfs/dbraw/zinc/84/36/36/319843636.db2.gz ZBRDUMOCCQOPNW-UHFFFAOYSA-N 1 0 341.415 2.448 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000577047334 320226597 /nfs/dbraw/zinc/22/65/97/320226597.db2.gz UIHJSQNUXXQXRZ-UHFFFAOYSA-N 1 0 334.420 2.216 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000577721561 320271835 /nfs/dbraw/zinc/27/18/35/320271835.db2.gz RHDSDCYPEALELW-JTQLQIEISA-N 1 0 345.186 2.249 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000181826019 323357736 /nfs/dbraw/zinc/35/77/36/323357736.db2.gz ADSREHHIMAKTBX-LBPRGKRZSA-N 1 0 336.392 2.036 20 5 EEBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000580480474 324072361 /nfs/dbraw/zinc/07/23/61/324072361.db2.gz YCTDFVYEKVFJSX-LLVKDONJSA-N 1 0 344.371 2.063 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235501532 464212475 /nfs/dbraw/zinc/21/24/75/464212475.db2.gz XLAFVPYTJZKNQK-DTWKUNHWSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000192818054 465003588 /nfs/dbraw/zinc/00/35/88/465003588.db2.gz TVAKKWQLRKPXFL-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000193099521 465026273 /nfs/dbraw/zinc/02/62/73/465026273.db2.gz FQKSBPNULJPJQD-CQSZACIVSA-N 1 0 343.449 2.240 20 5 EEBDRO Cn1cc(CN2C[C@@H](F)C[C@@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000354836071 465181743 /nfs/dbraw/zinc/18/17/43/465181743.db2.gz AQENZCXAOAUWOW-JKSUJKDBSA-N 1 0 347.394 2.031 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000358682605 465262038 /nfs/dbraw/zinc/26/20/38/465262038.db2.gz LSDPQWDMTFFYLJ-HOCLYGCPSA-N 1 0 332.404 2.329 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000534713100 468274824 /nfs/dbraw/zinc/27/48/24/468274824.db2.gz AWGWZDLRUFYZBY-INIZCTEOSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H]1C[NH+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000063662627 462660952 /nfs/dbraw/zinc/66/09/52/462660952.db2.gz DGJVNPSTBBYJJL-AOEIMKSNSA-N 1 0 347.415 2.224 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115442293 462715241 /nfs/dbraw/zinc/71/52/41/462715241.db2.gz NRYARMOICHERSX-CYBMUJFWSA-N 1 0 334.420 2.075 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000075621213 462740428 /nfs/dbraw/zinc/74/04/28/462740428.db2.gz OQZSHGRKECKFLY-CQSZACIVSA-N 1 0 347.415 2.227 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000130139238 462742651 /nfs/dbraw/zinc/74/26/51/462742651.db2.gz KIDIQYPERPMKDW-UHFFFAOYSA-N 1 0 344.371 2.077 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089932618 462746459 /nfs/dbraw/zinc/74/64/59/462746459.db2.gz ZDITZVNBGYSTKY-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000535623831 468316556 /nfs/dbraw/zinc/31/65/56/468316556.db2.gz CDOAMGRUKZGFIM-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO C[N@H+](CCCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090516931 462794872 /nfs/dbraw/zinc/79/48/72/462794872.db2.gz DQRRCTPEAZBVRL-UHFFFAOYSA-N 1 0 349.362 2.297 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000076059085 462798564 /nfs/dbraw/zinc/79/85/64/462798564.db2.gz OWIPDUZWPKBSME-HNNXBMFYSA-N 1 0 335.404 2.377 20 5 EEBDRO CC[C@@]1(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000134517784 463049766 /nfs/dbraw/zinc/04/97/66/463049766.db2.gz UYEZBYGWLAKRGS-KRWDZBQOSA-N 1 0 334.420 2.354 20 5 EEBDRO CC[C@]1(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000134517765 463050134 /nfs/dbraw/zinc/05/01/34/463050134.db2.gz UYEZBYGWLAKRGS-QGZVFWFLSA-N 1 0 334.420 2.354 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000590776656 468336053 /nfs/dbraw/zinc/33/60/53/468336053.db2.gz YESSFWOTJIKNHS-SLEUVZQESA-N 1 0 335.429 2.238 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000068778031 463172862 /nfs/dbraw/zinc/17/28/62/463172862.db2.gz VDTJTUFNDRCGSO-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000027118747 463180905 /nfs/dbraw/zinc/18/09/05/463180905.db2.gz BNPWOKOFXHTLBI-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000079896342 463258515 /nfs/dbraw/zinc/25/85/15/463258515.db2.gz CBWBGFQUGVTUCJ-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000136875995 463264266 /nfs/dbraw/zinc/26/42/66/463264266.db2.gz IRDQHMFBSUNUCR-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000159950073 463311869 /nfs/dbraw/zinc/31/18/69/463311869.db2.gz DXEHXSXJDNNBQB-LBPRGKRZSA-N 1 0 334.420 2.298 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000080606272 463335849 /nfs/dbraw/zinc/33/58/49/463335849.db2.gz CAYFRMJGFWDAEG-CQSZACIVSA-N 1 0 346.431 2.123 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400699 463375079 /nfs/dbraw/zinc/37/50/79/463375079.db2.gz VUPLZRIZOWLFST-UHFFFAOYSA-N 1 0 342.399 2.112 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N(CCCc1ccccc1)CC[NH+](C)C ZINC000081018844 463382764 /nfs/dbraw/zinc/38/27/64/463382764.db2.gz REYZCSDSUJYYHY-UHFFFAOYSA-N 1 0 331.420 2.329 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000057166483 463460516 /nfs/dbraw/zinc/46/05/16/463460516.db2.gz AYVNYMUPJFOZKN-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000161970998 463472907 /nfs/dbraw/zinc/47/29/07/463472907.db2.gz XMCLMNIICNQFMH-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000125383915 463538890 /nfs/dbraw/zinc/53/88/90/463538890.db2.gz JIMXEZJVSTYQGY-GFCCVEGCSA-N 1 0 343.449 2.158 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)OC ZINC000568615784 468362726 /nfs/dbraw/zinc/36/27/26/468362726.db2.gz OFDUGGUFNOYZFO-UHFFFAOYSA-N 1 0 339.392 2.289 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108330463 463598106 /nfs/dbraw/zinc/59/81/06/463598106.db2.gz GJVTWEWNJSXRSQ-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000163780374 463605475 /nfs/dbraw/zinc/60/54/75/463605475.db2.gz CUFPQIVMKNUMTI-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000126130993 463607976 /nfs/dbraw/zinc/60/79/76/463607976.db2.gz DIDDDTZGESUTFI-STQMWFEESA-N 1 0 337.445 2.486 20 5 EEBDRO Cc1nn(C)c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000126461722 463637936 /nfs/dbraw/zinc/63/79/36/463637936.db2.gz XZOFDXKLVSVGRK-LBPRGKRZSA-N 1 0 337.424 2.021 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000109807110 463651107 /nfs/dbraw/zinc/65/11/07/463651107.db2.gz DZOSMAZKVQZLLJ-CQSZACIVSA-N 1 0 331.376 2.171 20 5 EEBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000276705233 463725857 /nfs/dbraw/zinc/72/58/57/463725857.db2.gz IQKOGPVDUSDXRI-CQSZACIVSA-N 1 0 348.403 2.231 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255575506 463735216 /nfs/dbraw/zinc/73/52/16/463735216.db2.gz ABCBGFMJFRCZRZ-BSDKJSHOSA-N 1 0 335.404 2.081 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000283232996 463813485 /nfs/dbraw/zinc/81/34/85/463813485.db2.gz UHOWJXXXYMGFBX-UWVGGRQHSA-N 1 0 328.340 2.420 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000287184695 463826293 /nfs/dbraw/zinc/82/62/93/463826293.db2.gz TYUJLDUJDCNBEP-ZFWWWQNUSA-N 1 0 346.431 2.404 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000261703841 463833137 /nfs/dbraw/zinc/83/31/37/463833137.db2.gz BOGLLIJXUKTRDC-CYBMUJFWSA-N 1 0 342.193 2.168 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277010057 463840847 /nfs/dbraw/zinc/84/08/47/463840847.db2.gz LEWVUMJTZLZDJQ-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000269052466 463858996 /nfs/dbraw/zinc/85/89/96/463858996.db2.gz CTIUBGDUZRLTKR-SJORKVTESA-N 1 0 347.415 2.093 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000269052459 463859316 /nfs/dbraw/zinc/85/93/16/463859316.db2.gz CTIUBGDUZRLTKR-DLBZAZTESA-N 1 0 347.415 2.093 20 5 EEBDRO Nc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC000262057086 463937159 /nfs/dbraw/zinc/93/71/59/463937159.db2.gz NKUOGZBGECOILZ-UHFFFAOYSA-N 1 0 347.400 2.353 20 5 EEBDRO CCOC(=O)N1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000194841762 463941043 /nfs/dbraw/zinc/94/10/43/463941043.db2.gz VCYKYYBOFXNRAF-UHFFFAOYSA-N 1 0 347.375 2.066 20 5 EEBDRO COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262196274 463970339 /nfs/dbraw/zinc/97/03/39/463970339.db2.gz KBFCLAJGKXBURC-LSDHHAIUSA-N 1 0 341.367 2.170 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000269453623 463989468 /nfs/dbraw/zinc/98/94/68/463989468.db2.gz GSXNQSTWGCOJOX-UHFFFAOYSA-N 1 0 337.424 2.480 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262344823 464007071 /nfs/dbraw/zinc/00/70/71/464007071.db2.gz UUBALJKPPXDOBE-CYBMUJFWSA-N 1 0 349.840 2.290 20 5 EEBDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000178985193 464030421 /nfs/dbraw/zinc/03/04/21/464030421.db2.gz QEDGDABRXOYIEU-UHFFFAOYSA-N 1 0 341.433 2.087 20 5 EEBDRO CCCCNC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269680397 464055740 /nfs/dbraw/zinc/05/57/40/464055740.db2.gz XYOYQBNQLLMUTJ-QGZVFWFLSA-N 1 0 349.431 2.257 20 5 EEBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279235588 464073253 /nfs/dbraw/zinc/07/32/53/464073253.db2.gz FIXJJTFLDTYNMO-MLGOLLRUSA-N 1 0 333.388 2.057 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000269771092 464088270 /nfs/dbraw/zinc/08/82/70/464088270.db2.gz BAFNBXHMBKCXOF-RISCZKNCSA-N 1 0 332.360 2.380 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000172745175 464137340 /nfs/dbraw/zinc/13/73/40/464137340.db2.gz ODFQPCCYZAGRBU-UHFFFAOYSA-N 1 0 339.395 2.312 20 5 EEBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279837503 464153951 /nfs/dbraw/zinc/15/39/51/464153951.db2.gz RJSOVQRVBYCMBY-JKIFEVAISA-N 1 0 336.388 2.242 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270046754 464169675 /nfs/dbraw/zinc/16/96/75/464169675.db2.gz FAWCFJUOVBTGLJ-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248609 464172760 /nfs/dbraw/zinc/17/27/60/464172760.db2.gz QSEMKERZRKKXEX-CXAGYDPISA-N 1 0 343.383 2.221 20 5 EEBDRO CSC[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276713 464182243 /nfs/dbraw/zinc/18/22/43/464182243.db2.gz BLODZKXLVMTDFR-DZGCQCFKSA-N 1 0 340.445 2.410 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987405 464219728 /nfs/dbraw/zinc/21/97/28/464219728.db2.gz AHCUQGVQPKVTEO-ZIAGYGMSSA-N 1 0 336.388 2.476 20 5 EEBDRO Cc1c(CN(C)Cc2ccccc2S(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000292564084 464273527 /nfs/dbraw/zinc/27/35/27/464273527.db2.gz BFKMAWFKFKAMMA-UHFFFAOYSA-N 1 0 349.412 2.183 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173613979 464293508 /nfs/dbraw/zinc/29/35/08/464293508.db2.gz KWSNZHVUDCIKRE-ZDUSSCGKSA-N 1 0 334.420 2.384 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237263788 464294424 /nfs/dbraw/zinc/29/44/24/464294424.db2.gz HEKQMHRAWNFFHQ-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237470029 464326450 /nfs/dbraw/zinc/32/64/50/464326450.db2.gz QZJDTJSOHUTJED-CMPLNLGQSA-N 1 0 325.796 2.377 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237644789 464357141 /nfs/dbraw/zinc/35/71/41/464357141.db2.gz JATMQWYLDXLOLF-GUYCJALGSA-N 1 0 346.431 2.394 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284927088 464395928 /nfs/dbraw/zinc/39/59/28/464395928.db2.gz YAZLSTKYOGCKDG-UHFFFAOYSA-N 1 0 333.388 2.086 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CCc2ccccc21 ZINC000237891880 464397628 /nfs/dbraw/zinc/39/76/28/464397628.db2.gz GKFMAKXQZYSFOQ-KRWDZBQOSA-N 1 0 325.368 2.141 20 5 EEBDRO COc1cc(C)c(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000174811125 464452996 /nfs/dbraw/zinc/45/29/96/464452996.db2.gz LTHIJXLPLXXYRD-UHFFFAOYSA-N 1 0 334.376 2.249 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000174921366 464469288 /nfs/dbraw/zinc/46/92/88/464469288.db2.gz HDMHYHHMGUVGKL-NEPJUHHUSA-N 1 0 336.392 2.451 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272138111 464493612 /nfs/dbraw/zinc/49/36/12/464493612.db2.gz ASKSJZQOHGQPCN-WBMJQRKESA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000272232581 464529346 /nfs/dbraw/zinc/52/93/46/464529346.db2.gz JWPIWJYPHXDFEX-CABCVRRESA-N 1 0 349.434 2.350 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189665286 464537681 /nfs/dbraw/zinc/53/76/81/464537681.db2.gz MWHWCNHGHDSENB-MRXNPFEDSA-N 1 0 332.360 2.382 20 5 EEBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285372754 464540896 /nfs/dbraw/zinc/54/08/96/464540896.db2.gz CGAVDNJLLHVIIL-UHFFFAOYSA-N 1 0 348.447 2.392 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000272293756 464551959 /nfs/dbraw/zinc/55/19/59/464551959.db2.gz BVSZEYUSXRNRRS-KGLIPLIRSA-N 1 0 338.433 2.413 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000281725481 464561266 /nfs/dbraw/zinc/56/12/66/464561266.db2.gz XEUWPKFAIKCPJA-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294785173 464603662 /nfs/dbraw/zinc/60/36/62/464603662.db2.gz HDPBZTLRMPHLER-LLVKDONJSA-N 1 0 344.371 2.111 20 5 EEBDRO CC[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272492191 464630269 /nfs/dbraw/zinc/63/02/69/464630269.db2.gz FBYLNPSSCFPLIT-QGZVFWFLSA-N 1 0 343.431 2.492 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295014215 464677570 /nfs/dbraw/zinc/67/75/70/464677570.db2.gz JTCUSYYERMTPPW-DOMZBBRYSA-N 1 0 330.388 2.246 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176000492 464678349 /nfs/dbraw/zinc/67/83/49/464678349.db2.gz GFXRAYYBBSJMBG-CYBMUJFWSA-N 1 0 334.420 2.419 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000265781505 464684885 /nfs/dbraw/zinc/68/48/85/464684885.db2.gz KDAOBDOFOLRHJU-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000190852120 464731606 /nfs/dbraw/zinc/73/16/06/464731606.db2.gz SHGXNJJSFMTXSA-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000248905529 464819187 /nfs/dbraw/zinc/81/91/87/464819187.db2.gz HVDWMSZRXKFFQG-WFASDCNBSA-N 1 0 331.372 2.495 20 5 EEBDRO C[S@@](=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183197862 464820809 /nfs/dbraw/zinc/82/08/09/464820809.db2.gz FJHRYDUTBNJCHY-XVTZWQNCSA-N 1 0 348.424 2.338 20 5 EEBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183290372 464843105 /nfs/dbraw/zinc/84/31/05/464843105.db2.gz YZXGSKWAMJNOIB-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183357203 464855701 /nfs/dbraw/zinc/85/57/01/464855701.db2.gz YYZJUNFCTHAHHA-INIZCTEOSA-N 1 0 347.346 2.049 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000176909850 464882421 /nfs/dbraw/zinc/88/24/21/464882421.db2.gz CTMMXHGEPIOUNY-UHFFFAOYSA-N 1 0 333.323 2.025 20 5 EEBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000286486816 464935927 /nfs/dbraw/zinc/93/59/27/464935927.db2.gz OSVQWABJMPUVRC-CQSZACIVSA-N 1 0 346.387 2.343 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184270830 464959197 /nfs/dbraw/zinc/95/91/97/464959197.db2.gz FBZIDWAIJIUWPO-GFCCVEGCSA-N 1 0 339.367 2.043 20 5 EEBDRO C[C@H](CO)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000276507137 464960343 /nfs/dbraw/zinc/96/03/43/464960343.db2.gz DIRPIHDQFUDRIL-CYBMUJFWSA-N 1 0 347.415 2.109 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000282882608 464987046 /nfs/dbraw/zinc/98/70/46/464987046.db2.gz RHIMRILIVIKAIR-DOMZBBRYSA-N 1 0 335.404 2.452 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000192795711 464999028 /nfs/dbraw/zinc/99/90/28/464999028.db2.gz JYTNLKKQPJDIGY-UONOGXRCSA-N 1 0 344.415 2.343 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000254991280 465021588 /nfs/dbraw/zinc/02/15/88/465021588.db2.gz GHOZQYHWDLAGPK-IMMZDGJCSA-N 1 0 331.416 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593913182 468430849 /nfs/dbraw/zinc/43/08/49/468430849.db2.gz SAOUCMGYUVKRHI-VBQJREDUSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000348141601 465447174 /nfs/dbraw/zinc/44/71/74/465447174.db2.gz ZBVULTVJLAVEHK-CHWSQXEVSA-N 1 0 349.387 2.298 20 5 EEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000591297654 468441616 /nfs/dbraw/zinc/44/16/16/468441616.db2.gz XEKYYMUAKXCCKE-SECBINFHSA-N 1 0 332.282 2.439 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000299106423 465606045 /nfs/dbraw/zinc/60/60/45/465606045.db2.gz VTFCIOIFHVQSDD-KBPBESRZSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000554859252 468446399 /nfs/dbraw/zinc/44/63/99/468446399.db2.gz KFOLWBPYAANUHT-CHWSQXEVSA-N 1 0 335.408 2.045 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344628753 465733983 /nfs/dbraw/zinc/73/39/83/465733983.db2.gz ATHOGDNVOOEKDY-HNNXBMFYSA-N 1 0 335.404 2.454 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338056452 465786264 /nfs/dbraw/zinc/78/62/64/465786264.db2.gz HLRJNPJDXRKSGA-AWEZNQCLSA-N 1 0 332.404 2.015 20 5 EEBDRO CNc1c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000361210073 465837965 /nfs/dbraw/zinc/83/79/65/465837965.db2.gz ADNVDFJDDNICCH-CQSZACIVSA-N 1 0 346.431 2.440 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371546031 465868454 /nfs/dbraw/zinc/86/84/54/465868454.db2.gz XVVMEPQSFQRXMV-JSGCOSHPSA-N 1 0 339.342 2.430 20 5 EEBDRO CNC(=O)CC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353455176 465896373 /nfs/dbraw/zinc/89/63/73/465896373.db2.gz PNPUKKLZDFRISN-UHFFFAOYSA-N 1 0 347.371 2.431 20 5 EEBDRO Cc1sc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000349052598 465939416 /nfs/dbraw/zinc/93/94/16/465939416.db2.gz MEEUJIVATKKOMW-JTQLQIEISA-N 1 0 332.385 2.428 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000362849918 466071503 /nfs/dbraw/zinc/07/15/03/466071503.db2.gz IQOLFISOXQENFB-INIZCTEOSA-N 1 0 334.420 2.119 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[C@@H](CO)O3)cs2)c1 ZINC000353705174 466083200 /nfs/dbraw/zinc/08/32/00/466083200.db2.gz BNCZQCJJJXBANC-GJZGRUSLSA-N 1 0 349.412 2.348 20 5 EEBDRO O=C(c1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591440665 468470849 /nfs/dbraw/zinc/47/08/49/468470849.db2.gz IIKZWERSVNXBRI-BBRMVZONSA-N 1 0 344.415 2.019 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363027211 466184677 /nfs/dbraw/zinc/18/46/77/466184677.db2.gz WTIZOHUASSDXGR-QWHCGFSZSA-N 1 0 332.404 2.017 20 5 EEBDRO COC(=O)C(C)(C)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000338545685 466212467 /nfs/dbraw/zinc/21/24/67/466212467.db2.gz CGEXAMOBPLKAHJ-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068750 466366386 /nfs/dbraw/zinc/36/63/86/466366386.db2.gz OPIXADIXPKXTEF-OCCSQVGLSA-N 1 0 328.372 2.488 20 5 EEBDRO C[C@H](O)[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000305183988 466372170 /nfs/dbraw/zinc/37/21/70/466372170.db2.gz OSRZVICJYDFNJX-WCQYABFASA-N 1 0 332.360 2.238 20 5 EEBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332344211 466517179 /nfs/dbraw/zinc/51/71/79/466517179.db2.gz XRPBOIKTPJEOSX-HSMVNMDESA-N 1 0 336.388 2.443 20 5 EEBDRO CC(C)[C@](C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000312808690 466533739 /nfs/dbraw/zinc/53/37/39/466533739.db2.gz RQEPQUZYCOAJES-ZDUSSCGKSA-N 1 0 344.209 2.347 20 5 EEBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000324671882 466648763 /nfs/dbraw/zinc/64/87/63/466648763.db2.gz KZMWJWMROUTDHX-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000373462113 466812031 /nfs/dbraw/zinc/81/20/31/466812031.db2.gz YGERPJFVBWNYPJ-GOEBONIOSA-N 1 0 343.431 2.329 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411475068 466832510 /nfs/dbraw/zinc/83/25/10/466832510.db2.gz RXWSKFIJCWRFNK-PQEBFOHHSA-N 1 0 329.400 2.441 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423832588 466866186 /nfs/dbraw/zinc/86/61/86/466866186.db2.gz ACCMPCLJHDBOMS-TZMCWYRMSA-N 1 0 325.796 2.499 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000424048265 466963100 /nfs/dbraw/zinc/96/31/00/466963100.db2.gz QKSDQQMYIXHVQT-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412088450 467003447 /nfs/dbraw/zinc/00/34/47/467003447.db2.gz PLEMMTLTMHCIFJ-YPMHNXCESA-N 1 0 332.360 2.238 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412092573 467004869 /nfs/dbraw/zinc/00/48/69/467004869.db2.gz RHELPMPGZHZNOS-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417994102 467014631 /nfs/dbraw/zinc/01/46/31/467014631.db2.gz QTNWEJBVROTJHK-PWSUYJOCSA-N 1 0 340.811 2.169 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418337066 467094755 /nfs/dbraw/zinc/09/47/55/467094755.db2.gz JCCGOPZMKCBQLP-HOCLYGCPSA-N 1 0 346.431 2.483 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413037194 467158814 /nfs/dbraw/zinc/15/88/14/467158814.db2.gz FNSUBNILCUXJHV-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000413198115 467187976 /nfs/dbraw/zinc/18/79/76/467187976.db2.gz PRVZBXRARYSOKG-GJZGRUSLSA-N 1 0 338.383 2.309 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000428041632 467197080 /nfs/dbraw/zinc/19/70/80/467197080.db2.gz RAHIBNDWYVAKMJ-HOCLYGCPSA-N 1 0 342.399 2.476 20 5 EEBDRO Cc1cc(OCC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000432326045 467231419 /nfs/dbraw/zinc/23/14/19/467231419.db2.gz NVYBSGLLLBFETK-UHFFFAOYSA-N 1 0 333.388 2.050 20 5 EEBDRO CC[C@H]1CN(CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000451929219 467286247 /nfs/dbraw/zinc/28/62/47/467286247.db2.gz GWEUUHUXWXIHSS-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976551 467292779 /nfs/dbraw/zinc/29/27/79/467292779.db2.gz YORXCMMQYZHUNR-WBVHZDCISA-N 1 0 348.378 2.437 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000452078988 467315111 /nfs/dbraw/zinc/31/51/11/467315111.db2.gz FMUDITDDYGWYQC-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1c(Br)cncc1[N+](=O)[O-] ZINC000420269812 467333866 /nfs/dbraw/zinc/33/38/66/467333866.db2.gz BLPOSJZIDXTYMT-AYBYRNOTSA-N 1 0 341.209 2.102 20 5 EEBDRO COc1ccc(OCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420386469 467389359 /nfs/dbraw/zinc/38/93/59/467389359.db2.gz FWKPUMUEQYISPN-GDBMZVCRSA-N 1 0 349.431 2.446 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000420401783 467395885 /nfs/dbraw/zinc/39/58/85/467395885.db2.gz JKZQBJCDVBOCAS-YPMHNXCESA-N 1 0 331.376 2.062 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420401608 467396383 /nfs/dbraw/zinc/39/63/83/467396383.db2.gz LEEFKIWTUMMEGY-CQSZACIVSA-N 1 0 340.383 2.232 20 5 EEBDRO C[N@H+](CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Cc1ccccc1 ZINC000430102322 467398941 /nfs/dbraw/zinc/39/89/41/467398941.db2.gz ADXPWCRDOABYNZ-UHFFFAOYSA-N 1 0 339.351 2.323 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389855268 467403109 /nfs/dbraw/zinc/40/31/09/467403109.db2.gz ZEEJXUOLNSPIPE-PRHODGIISA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1C ZINC000420441427 467409613 /nfs/dbraw/zinc/40/96/13/467409613.db2.gz IMRRQLVXMCIHBN-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000434570813 467409833 /nfs/dbraw/zinc/40/98/33/467409833.db2.gz ANFVMUATHOASPL-ZDUSSCGKSA-N 1 0 333.388 2.343 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420453760 467412645 /nfs/dbraw/zinc/41/26/45/467412645.db2.gz DMYYTDSSAVJLMX-CQSZACIVSA-N 1 0 349.412 2.136 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434682652 467417538 /nfs/dbraw/zinc/41/75/38/467417538.db2.gz XFHDUPUMCBTXQT-LBPRGKRZSA-N 1 0 339.392 2.025 20 5 EEBDRO CNC(=O)NC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000414539452 467419660 /nfs/dbraw/zinc/41/96/60/467419660.db2.gz DRMGKCWFFSPSHQ-JLHYYAGUSA-N 1 0 332.404 2.392 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555196 467439715 /nfs/dbraw/zinc/43/97/15/467439715.db2.gz OJAFMBPUNAGRIM-HZSPNIEDSA-N 1 0 334.420 2.289 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCCO3)o2)cc1 ZINC000415037875 467473170 /nfs/dbraw/zinc/47/31/70/467473170.db2.gz LLVZUNCLVTXPIZ-INIZCTEOSA-N 1 0 331.372 2.323 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453416506 467486594 /nfs/dbraw/zinc/48/65/94/467486594.db2.gz XOKSWTZAHUNNBP-GJZGRUSLSA-N 1 0 330.392 2.206 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435832812 467498410 /nfs/dbraw/zinc/49/84/10/467498410.db2.gz CXRCFGKARJDFNM-UHFFFAOYSA-N 1 0 345.349 2.251 20 5 EEBDRO C[C@@H]1COCCN1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436416143 467534906 /nfs/dbraw/zinc/53/49/06/467534906.db2.gz YNDIMHZLXONOAX-SECBINFHSA-N 1 0 334.298 2.141 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000457076658 467747149 /nfs/dbraw/zinc/74/71/49/467747149.db2.gz ODWOZCIDVAKZCF-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458285840 467803532 /nfs/dbraw/zinc/80/35/32/467803532.db2.gz OECPHDTWOIWHCB-UHFFFAOYSA-N 1 0 331.376 2.259 20 5 EEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1F ZINC000458328276 467810034 /nfs/dbraw/zinc/81/00/34/467810034.db2.gz WMGIJALCZCZRHJ-UHFFFAOYSA-N 1 0 336.323 2.255 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000457381243 467812330 /nfs/dbraw/zinc/81/23/30/467812330.db2.gz QJOASUOZWFRJIK-NWDGAFQWSA-N 1 0 335.429 2.388 20 5 EEBDRO CC[C@H](O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493336627 467889289 /nfs/dbraw/zinc/88/92/89/467889289.db2.gz NRPCTUKFISNHIC-LBPRGKRZSA-N 1 0 327.812 2.137 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648876 468091975 /nfs/dbraw/zinc/09/19/75/468091975.db2.gz MFSFWVRIWXMTOP-DZGCQCFKSA-N 1 0 342.399 2.499 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000533505098 468207611 /nfs/dbraw/zinc/20/76/11/468207611.db2.gz LXHGTPYNCWFVGW-KRWDZBQOSA-N 1 0 347.415 2.497 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000550618724 468220539 /nfs/dbraw/zinc/22/05/39/468220539.db2.gz GDQRXQHCGKAJMM-GFCCVEGCSA-N 1 0 330.388 2.077 20 5 EEBDRO CC[N@H+](CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCCCC1 ZINC000594376507 468566614 /nfs/dbraw/zinc/56/66/14/468566614.db2.gz OFHMTRGGVAGNJQ-UHFFFAOYSA-N 1 0 349.435 2.347 20 5 EEBDRO [NH3+]C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600726526 468637174 /nfs/dbraw/zinc/63/71/74/468637174.db2.gz LTEKHGGTZTUORR-RISCZKNCSA-N 1 0 347.337 2.433 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331665 468679138 /nfs/dbraw/zinc/67/91/38/468679138.db2.gz MHOLSSWZDJMIND-RISCZKNCSA-N 1 0 332.404 2.369 20 5 EEBDRO CCc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600961470 468698090 /nfs/dbraw/zinc/69/80/90/468698090.db2.gz NXPHYPTTWUHTQB-ZFWWWQNUSA-N 1 0 325.372 2.165 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592485589 468708694 /nfs/dbraw/zinc/70/86/94/468708694.db2.gz IZODOZMCEGKLRZ-CMPLNLGQSA-N 1 0 340.811 2.246 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592543811 468727379 /nfs/dbraw/zinc/72/73/79/468727379.db2.gz NAIHYQWNBYUVHB-OAHLLOKOSA-N 1 0 346.431 2.070 20 5 EEBDRO C[C@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000597990907 468733126 /nfs/dbraw/zinc/73/31/26/468733126.db2.gz APYJZGNTCGXIMV-LLVKDONJSA-N 1 0 325.384 2.468 20 5 EEBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@]1(O)CCCOC1 ZINC000594997363 468740970 /nfs/dbraw/zinc/74/09/70/468740970.db2.gz WPSLCNNPRNFRSE-MRXNPFEDSA-N 1 0 326.368 2.391 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O ZINC000595022784 468744778 /nfs/dbraw/zinc/74/47/78/468744778.db2.gz VYKCMBAUHUHTPE-GHMZBOCLSA-N 1 0 330.406 2.077 20 5 EEBDRO C[C@@H](C(=O)N1CC[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583727439 468745633 /nfs/dbraw/zinc/74/56/33/468745633.db2.gz MOACSSYFQPRZDN-OCCSQVGLSA-N 1 0 328.372 2.448 20 5 EEBDRO C[C@H](C(=O)N1CC[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583727437 468745964 /nfs/dbraw/zinc/74/59/64/468745964.db2.gz MOACSSYFQPRZDN-GXTWGEPZSA-N 1 0 328.372 2.448 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598261887 468810013 /nfs/dbraw/zinc/81/00/13/468810013.db2.gz HNOIXDHTDCCPMQ-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595345979 468819855 /nfs/dbraw/zinc/81/98/55/468819855.db2.gz RPUFZZWHYLZJGS-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000598342568 468836856 /nfs/dbraw/zinc/83/68/56/468836856.db2.gz KZQJXNUJEWAFPT-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000595535549 468891825 /nfs/dbraw/zinc/89/18/25/468891825.db2.gz HGTSVIUDOCJANC-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000572199704 468899447 /nfs/dbraw/zinc/89/94/47/468899447.db2.gz JNCRWSRAJDUSQD-LSDHHAIUSA-N 1 0 346.431 2.400 20 5 EEBDRO COc1cccc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000601549307 468915102 /nfs/dbraw/zinc/91/51/02/468915102.db2.gz DVISGZSGFFTAFK-LBPRGKRZSA-N 1 0 341.367 2.381 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598569226 468917980 /nfs/dbraw/zinc/91/79/80/468917980.db2.gz BXDWEQINBSPZPI-HNNXBMFYSA-N 1 0 333.388 2.014 20 5 EEBDRO CC1(C)CC[C@@H](CO)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646580 468943888 /nfs/dbraw/zinc/94/38/88/468943888.db2.gz HLFXAPZRLUGMFJ-HNNXBMFYSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595674537 468949294 /nfs/dbraw/zinc/94/92/94/468949294.db2.gz LDYOUVAVFIVRNL-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000598668444 468952135 /nfs/dbraw/zinc/95/21/35/468952135.db2.gz SUTDKCQNYMQAHJ-KSSFIOAISA-N 1 0 344.415 2.148 20 5 EEBDRO Cn1cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718034 468972157 /nfs/dbraw/zinc/97/21/57/468972157.db2.gz IXDMODXSKCVYHV-QAPCUYQASA-N 1 0 341.415 2.309 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000593441461 468980692 /nfs/dbraw/zinc/98/06/92/468980692.db2.gz SWWPZEODEGPJRB-HNNXBMFYSA-N 1 0 335.379 2.363 20 5 EEBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602644074 468984199 /nfs/dbraw/zinc/98/41/99/468984199.db2.gz KHHIZERHUWVISP-CYBMUJFWSA-N 1 0 331.294 2.311 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593505086 469008143 /nfs/dbraw/zinc/00/81/43/469008143.db2.gz TXWBEJGJAOQIRA-INIZCTEOSA-N 1 0 343.431 2.483 20 5 EEBDRO Cc1cc(NCC[C@@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593517656 469013172 /nfs/dbraw/zinc/01/31/72/469013172.db2.gz CWVIZRSQEJVFIM-KRWDZBQOSA-N 1 0 331.372 2.217 20 5 EEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610657599 469028499 /nfs/dbraw/zinc/02/84/99/469028499.db2.gz CMEXKJKJKDTWPR-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])n3C)C2)c1 ZINC000601851569 469057489 /nfs/dbraw/zinc/05/74/89/469057489.db2.gz UFWIMNHXTYBCEB-HNNXBMFYSA-N 1 0 342.399 2.246 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCCOC(C)C)CC1 ZINC000602837241 469108334 /nfs/dbraw/zinc/10/83/34/469108334.db2.gz KBPPRIATMBDIQD-UHFFFAOYSA-N 1 0 340.424 2.006 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)CC(F)F ZINC000599088573 469113925 /nfs/dbraw/zinc/11/39/25/469113925.db2.gz GXEPVSISCPCUJH-LLVKDONJSA-N 1 0 344.362 2.098 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973359 469121581 /nfs/dbraw/zinc/12/15/81/469121581.db2.gz LOJNOTQBJJSDAR-GARJFASQSA-N 1 0 339.779 2.153 20 5 EEBDRO Cc1cc(NCCC[NH2+]C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980824 469125946 /nfs/dbraw/zinc/12/59/46/469125946.db2.gz PTHGHWJTGMUPIJ-UHFFFAOYSA-N 1 0 327.388 2.336 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599137791 469132667 /nfs/dbraw/zinc/13/26/67/469132667.db2.gz DCOCUJKFDCJWOY-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO CCSC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000596065473 469135522 /nfs/dbraw/zinc/13/55/22/469135522.db2.gz JDDLNCLPJYANGP-ZDUSSCGKSA-N 1 0 326.418 2.210 20 5 EEBDRO COCC(=O)NC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000611261332 469212686 /nfs/dbraw/zinc/21/26/86/469212686.db2.gz WBFYLLWEHBDVQE-UHFFFAOYSA-N 1 0 349.431 2.445 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000596441788 469266800 /nfs/dbraw/zinc/26/68/00/469266800.db2.gz QKEQINMZXZOFPO-UHFFFAOYSA-N 1 0 327.388 2.709 20 5 EEBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599704240 469344771 /nfs/dbraw/zinc/34/47/71/469344771.db2.gz RXXBTUJTANZRTI-MRXNPFEDSA-N 1 0 335.404 2.354 20 5 EEBDRO COC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000616008132 469353079 /nfs/dbraw/zinc/35/30/79/469353079.db2.gz NVMXCSAYCDBNPN-KBPBESRZSA-N 1 0 338.408 2.060 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616058720 469359568 /nfs/dbraw/zinc/35/95/68/469359568.db2.gz HXNNVBJIRLXNSF-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602563580 469362384 /nfs/dbraw/zinc/36/23/84/469362384.db2.gz MUJDZKQGPPHHAB-HUUCEWRRSA-N 1 0 334.420 2.362 20 5 EEBDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602595104 469377888 /nfs/dbraw/zinc/37/78/88/469377888.db2.gz WEAWTVQJNSGHMN-NSHDSACASA-N 1 0 347.337 2.424 20 5 EEBDRO CC(C)[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000617101466 469593560 /nfs/dbraw/zinc/59/35/60/469593560.db2.gz BREIYMFULHQQSR-HNNXBMFYSA-N 1 0 335.404 2.138 20 5 EEBDRO COc1c(C(=O)N2CCCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000619441512 469606235 /nfs/dbraw/zinc/60/62/35/469606235.db2.gz QJNXNNLRZFDKEO-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609383103 469923720 /nfs/dbraw/zinc/92/37/20/469923720.db2.gz JEXMCPLTJZVACC-GFCCVEGCSA-N 1 0 328.372 2.290 20 5 EEBDRO CN(C(=O)C[NH2+][C@@](C)(CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000609483902 469930776 /nfs/dbraw/zinc/93/07/76/469930776.db2.gz POFYQOKTUPOLRZ-SFHVURJKSA-N 1 0 343.383 2.055 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000609839709 469965110 /nfs/dbraw/zinc/96/51/10/469965110.db2.gz BWYHAHLHSDIBTA-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609878238 469968033 /nfs/dbraw/zinc/96/80/33/469968033.db2.gz UBRHLEYEZOGHAS-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO CC1CCC(O)(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000610216399 469988970 /nfs/dbraw/zinc/98/89/70/469988970.db2.gz GMKQTVAICIMHEN-UHFFFAOYSA-N 1 0 334.420 2.053 20 5 EEBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000602538857 485641236 /nfs/dbraw/zinc/64/12/36/485641236.db2.gz YRXSLXDRBWRFNL-UHFFFAOYSA-N 1 0 327.384 2.086 20 5 EEBDRO C[C@@H]1CCC[C@@](CNC(=O)c2c(N)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000180691241 533798266 /nfs/dbraw/zinc/79/82/66/533798266.db2.gz DRRCPFZFXVLGCQ-SJKOYZFVSA-N 1 0 334.420 2.417 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174567474 534630998 /nfs/dbraw/zinc/63/09/98/534630998.db2.gz RPHJPKXFLMPKDU-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177434129 534631449 /nfs/dbraw/zinc/63/14/49/534631449.db2.gz XUXHPGRCZUICOO-UHFFFAOYSA-N 1 0 347.415 2.497 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418795557 534772712 /nfs/dbraw/zinc/77/27/12/534772712.db2.gz QKMNZALFPMWREC-SQWLQELKSA-N 1 0 344.415 2.051 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188262311 528450214 /nfs/dbraw/zinc/45/02/14/528450214.db2.gz FFWSZWCKTQYSJM-UHFFFAOYSA-N 1 0 341.433 2.091 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451777226 535543231 /nfs/dbraw/zinc/54/32/31/535543231.db2.gz VWCBBSISWVFGPH-OLZOCXBDSA-N 1 0 349.387 2.163 20 5 EEBDRO COC[C@@]1(C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451203263 536824436 /nfs/dbraw/zinc/82/44/36/536824436.db2.gz PCSYHSXSDXGRAA-RDJZCZTQSA-N 1 0 333.388 2.059 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nnc2ccccn21 ZINC000725842010 576061697 /nfs/dbraw/zinc/06/16/97/576061697.db2.gz WAWBIKOHWFWNPY-UHFFFAOYSA-N 1 0 341.371 2.369 20 5 EEBDRO CC[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000727823766 576451653 /nfs/dbraw/zinc/45/16/53/576451653.db2.gz KIYFERMXSKFWCU-CXAGYDPISA-N 1 0 346.387 2.194 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000771866123 577235012 /nfs/dbraw/zinc/23/50/12/577235012.db2.gz CTABXSHNNVJMAM-INIZCTEOSA-N 1 0 344.371 2.443 20 5 EEBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580286 577463155 /nfs/dbraw/zinc/46/31/55/577463155.db2.gz SFJJGJDLNGBKPN-WBVHZDCISA-N 1 0 349.431 2.257 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000776590542 577463575 /nfs/dbraw/zinc/46/35/75/577463575.db2.gz HEFKPHSKALLHOK-XYPHTWIQSA-N 1 0 330.388 2.408 20 5 EEBDRO CN(CC(F)F)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591881 577463697 /nfs/dbraw/zinc/46/36/97/577463697.db2.gz QSMDULHUZUZKKP-HNNXBMFYSA-N 1 0 343.374 2.290 20 5 EEBDRO COc1ccc([C@@H](CCO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606363 577464161 /nfs/dbraw/zinc/46/41/61/577464161.db2.gz VTZGTVBUQCOKPD-MSOLQXFVSA-N 1 0 346.383 2.350 20 5 EEBDRO O=C(CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1 ZINC000764966197 577492013 /nfs/dbraw/zinc/49/20/13/577492013.db2.gz YYYCDLKKLFMKAX-UHFFFAOYSA-N 1 0 346.431 2.212 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766145986 577513793 /nfs/dbraw/zinc/51/37/93/577513793.db2.gz DNPQUTZYDNAVHK-GFCCVEGCSA-N 1 0 328.372 2.357 20 5 EEBDRO C[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000766372573 577518029 /nfs/dbraw/zinc/51/80/29/577518029.db2.gz CVYGCPOMWDQZCH-QWHCGFSZSA-N 1 0 346.387 2.299 20 5 EEBDRO C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766378518 577518203 /nfs/dbraw/zinc/51/82/03/577518203.db2.gz XJKPWFBHYRHNQI-CABCVRRESA-N 1 0 329.404 2.344 20 5 EEBDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754521378 577807810 /nfs/dbraw/zinc/80/78/10/577807810.db2.gz SGDYUHDUYBZOKH-AWEZNQCLSA-N 1 0 349.387 2.163 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793359 577831613 /nfs/dbraw/zinc/83/16/13/577831613.db2.gz ZGJSIMFYVHKQBL-ZDUSSCGKSA-N 1 0 326.360 2.125 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000747226385 577941087 /nfs/dbraw/zinc/94/10/87/577941087.db2.gz HFFFXKLYDBNUEI-GFCCVEGCSA-N 1 0 349.391 2.068 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000749799329 577981957 /nfs/dbraw/zinc/98/19/57/577981957.db2.gz LYGRWHNXXRHHRO-LSDHHAIUSA-N 1 0 343.387 2.169 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000735472093 578154971 /nfs/dbraw/zinc/15/49/71/578154971.db2.gz HJLHYHLMQJDYFO-CQSZACIVSA-N 1 0 327.812 2.493 20 5 EEBDRO CC(C)[NH+](CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(C)C ZINC000820116653 606714921 /nfs/dbraw/zinc/71/49/21/606714921.db2.gz LZNKYRQDKHFDQD-UHFFFAOYSA-N 1 0 348.411 2.091 20 5 EEBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCOCC1 ZINC001020749224 675469352 /nfs/dbraw/zinc/46/93/52/675469352.db2.gz IOUMHIWQIAHXQR-SHTZXODSSA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC001020809475 675506961 /nfs/dbraw/zinc/50/69/61/675506961.db2.gz KDHAMICWGLADKW-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000890892855 675700447 /nfs/dbraw/zinc/70/04/47/675700447.db2.gz FDNRIHYRCGWBHZ-AWEZNQCLSA-N 1 0 347.419 2.037 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001021772783 676432358 /nfs/dbraw/zinc/43/23/58/676432358.db2.gz DEFMKRPBYIJCSE-BETUJISGSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891587259 676707036 /nfs/dbraw/zinc/70/70/36/676707036.db2.gz SGSRXQYMLLVDSZ-SJORKVTESA-N 1 0 346.431 2.453 20 5 EEBDRO CCn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000892079020 677978572 /nfs/dbraw/zinc/97/85/72/677978572.db2.gz WIBRWKHIZMUTLI-CQSZACIVSA-N 1 0 330.392 2.201 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC000892420238 679771046 /nfs/dbraw/zinc/77/10/46/679771046.db2.gz NRPMRYJPACXKRC-ZDUSSCGKSA-N 1 0 342.399 2.343 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983529144 682776819 /nfs/dbraw/zinc/77/68/19/682776819.db2.gz NNUGQUFGBBFHBF-MQMHXKEQSA-N 1 0 349.412 2.476 20 5 EEBDRO C[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777218 683032783 /nfs/dbraw/zinc/03/27/83/683032783.db2.gz INRNLZUGMFPWRC-PIGZYNQJSA-N 1 0 335.379 2.438 20 5 EEBDRO Cc1cnoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000984982369 685623032 /nfs/dbraw/zinc/62/30/32/685623032.db2.gz BMDFAZAZFDVUCC-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1cnoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000984983801 685629759 /nfs/dbraw/zinc/62/97/59/685629759.db2.gz QUMDVZGNSRJDPD-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC([NH2+]C3CCC3)CC1)OCCO2 ZINC000897982002 691843989 /nfs/dbraw/zinc/84/39/89/691843989.db2.gz UNNJSFVSEBNKPV-UHFFFAOYSA-N 1 0 347.415 2.473 20 5 EEBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000905259358 694582484 /nfs/dbraw/zinc/58/24/84/694582484.db2.gz DSVBJLADSYMFFH-UHFFFAOYSA-N 1 0 330.266 2.208 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000905702677 1189873612 /nfs/dbraw/zinc/87/36/12/1189873612.db2.gz DPRVIVSFTYKMLI-HNNXBMFYSA-N 1 0 330.340 2.189 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645982 1196467218 /nfs/dbraw/zinc/46/72/18/1196467218.db2.gz YSIVUMMCLDWSCA-KCYZZUKISA-N 1 0 349.406 2.050 20 5 EEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000120512257 1198180371 /nfs/dbraw/zinc/18/03/71/1198180371.db2.gz JMBRGSYKRQLLSA-ZIAGYGMSSA-N 1 0 348.447 2.369 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CCCO1 ZINC000865730173 1198350179 /nfs/dbraw/zinc/35/01/79/1198350179.db2.gz VBHMOLOLTPYPKJ-LBPRGKRZSA-N 1 0 341.383 2.139 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ocnc1C1CC1 ZINC001133809697 1199082962 /nfs/dbraw/zinc/08/29/62/1199082962.db2.gz CAEXYPWYPLMKIK-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001131986443 1199172083 /nfs/dbraw/zinc/17/20/83/1199172083.db2.gz SYIFKJBKOQMIMR-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO O=C(Cc1cccc(F)c1F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134401045 1199534186 /nfs/dbraw/zinc/53/41/86/1199534186.db2.gz VEINGORKEFCLLZ-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876568400 1199674168 /nfs/dbraw/zinc/67/41/68/1199674168.db2.gz MAYZNIXGNPFRKD-NOZJJQNGSA-N 1 0 329.759 2.154 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825909829 1199774500 /nfs/dbraw/zinc/77/45/00/1199774500.db2.gz JUSPVKQMEGWGRT-ZBFHGGJFSA-N 1 0 335.404 2.009 20 5 EEBDRO CCCc1[nH]ccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132686542 1199927493 /nfs/dbraw/zinc/92/74/93/1199927493.db2.gz MGXGZTFQJRFLQO-UHFFFAOYSA-N 1 0 336.417 2.457 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000870958449 1200977103 /nfs/dbraw/zinc/97/71/03/1200977103.db2.gz CYDITMFJLVLLLI-ZWNOBZJWSA-N 1 0 346.214 2.469 20 5 EEBDRO COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000880041118 1201361266 /nfs/dbraw/zinc/36/12/66/1201361266.db2.gz HAAGDRHUEWVODF-XJKSGUPXSA-N 1 0 336.388 2.293 20 5 EEBDRO COC(=O)c1cnc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000866055223 1201416029 /nfs/dbraw/zinc/41/60/29/1201416029.db2.gz QMRWRZFAWBZADQ-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000866350812 1201498298 /nfs/dbraw/zinc/49/82/98/1201498298.db2.gz CNVABAKUGJCYBX-WPGHFRTFSA-N 1 0 326.368 2.449 20 5 EEBDRO [NH3+]CCSCc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000881352403 1201683170 /nfs/dbraw/zinc/68/31/70/1201683170.db2.gz HCLZWWJFLIUPJD-UHFFFAOYSA-N 1 0 327.797 2.080 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140955 1202476795 /nfs/dbraw/zinc/47/67/95/1202476795.db2.gz SWOHRHJOQGRRGU-GDBMZVCRSA-N 1 0 336.436 2.216 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)co2)cc1 ZINC000886575280 1202525834 /nfs/dbraw/zinc/52/58/34/1202525834.db2.gz NDRJKEKROGIXGQ-UHOFOFEASA-N 1 0 329.356 2.453 20 5 EEBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000008318139 1205645715 /nfs/dbraw/zinc/64/57/15/1205645715.db2.gz QPQMUXXUPFPQSG-UHFFFAOYSA-N 1 0 330.392 2.214 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001095444066 1205760293 /nfs/dbraw/zinc/76/02/93/1205760293.db2.gz SQHHBFGXXHDQHZ-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000931718491 1207447960 /nfs/dbraw/zinc/44/79/60/1207447960.db2.gz SVGBOVFFHFBPKS-QWHCGFSZSA-N 1 0 343.387 2.313 20 5 EEBDRO COc1ccc(CN2CCC[C@H]2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000932440002 1207606689 /nfs/dbraw/zinc/60/66/89/1207606689.db2.gz PYAAFAXIAWIMHK-ZDUSSCGKSA-N 1 0 335.404 2.483 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778275690 1208044064 /nfs/dbraw/zinc/04/40/64/1208044064.db2.gz MNLRASBOHHCFLV-CYBMUJFWSA-N 1 0 329.347 2.389 20 5 EEBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC000950056135 1210001580 /nfs/dbraw/zinc/00/15/80/1210001580.db2.gz UIQIRLHFGAGAGF-HZPDHXFCSA-N 1 0 335.448 2.155 20 5 EEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000795695810 1214959588 /nfs/dbraw/zinc/95/95/88/1214959588.db2.gz LYJZVIOSZLSQIN-IXDOHACOSA-N 1 0 328.372 2.253 20 5 EEBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000795709441 1214994800 /nfs/dbraw/zinc/99/48/00/1214994800.db2.gz YHESLTVBNXLLET-IUODEOHRSA-N 1 0 344.419 2.164 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC2CCCCC2)C1 ZINC001019974631 1229425232 /nfs/dbraw/zinc/42/52/32/1229425232.db2.gz AWEKUNSMALMLPN-HDJSIYSDSA-N 1 0 349.435 2.036 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1O ZINC001019992091 1229432707 /nfs/dbraw/zinc/43/27/07/1229432707.db2.gz VYNWMZJRMMPPKM-HAQNSBGRSA-N 1 0 347.396 2.413 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020059353 1229465188 /nfs/dbraw/zinc/46/51/88/1229465188.db2.gz QNVBTPQNZUQHPV-HAQNSBGRSA-N 1 0 334.401 2.343 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccns1 ZINC001020206591 1229553124 /nfs/dbraw/zinc/55/31/24/1229553124.db2.gz XVMLOTGIRSNSKP-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903975323 1242815713 /nfs/dbraw/zinc/81/57/13/1242815713.db2.gz ZUULWXDHVUHSFV-CYBMUJFWSA-N 1 0 339.823 2.497 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097029676 1243636464 /nfs/dbraw/zinc/63/64/64/1243636464.db2.gz HIQSATHIFBNSCL-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001097204782 1243820488 /nfs/dbraw/zinc/82/04/88/1243820488.db2.gz CWRIHKRCTIZSRU-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097244867 1243872624 /nfs/dbraw/zinc/87/26/24/1243872624.db2.gz SDILSEONMFXZME-BETUJISGSA-N 1 0 338.383 2.135 20 5 EEBDRO O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1)C12CCC[NH+]1CCC2 ZINC001110396832 1279724935 /nfs/dbraw/zinc/72/49/35/1279724935.db2.gz BIFFYTUYPNJZKJ-UHFFFAOYSA-N 1 0 344.415 2.284 20 5 EEBDRO CCOC(=O)c1ccc(O[C@@H]2CCNCC2(F)F)c([N+](=O)[O-])c1 ZINC001218007953 1297545526 /nfs/dbraw/zinc/54/55/26/1297545526.db2.gz SRKNOPHEQMYWME-GFCCVEGCSA-N 1 0 330.287 2.148 20 5 EEBDRO COCC1(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001201625296 1289704157 /nfs/dbraw/zinc/70/41/57/1289704157.db2.gz ZJRVOACKROGJCH-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825550036 1292705413 /nfs/dbraw/zinc/70/54/13/1292705413.db2.gz XWVFPCXDTRLSNV-DLBZAZTESA-N 1 0 349.431 2.399 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000794629938 1296498562 /nfs/dbraw/zinc/49/85/62/1296498562.db2.gz BRSOTMUHDOPFFY-ZDUSSCGKSA-N 1 0 346.387 2.020 20 5 EEBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218017639 1297549759 /nfs/dbraw/zinc/54/97/59/1297549759.db2.gz WSOJMKSADMVXHB-CABZTGNLSA-N 1 0 327.312 2.489 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC001101712978 1299743165 /nfs/dbraw/zinc/74/31/65/1299743165.db2.gz VVRKZCHNJBWPRJ-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102200132 1300552494 /nfs/dbraw/zinc/55/24/94/1300552494.db2.gz XTKHWMOHKQCVRN-CALCHBBNSA-N 1 0 346.431 2.116 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224990185 1300814100 /nfs/dbraw/zinc/81/41/00/1300814100.db2.gz VMODZVTUDHNECT-JLVBRIDZSA-N 1 0 348.399 2.385 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225576639 1301071656 /nfs/dbraw/zinc/07/16/56/1301071656.db2.gz BIXVSVHYQOXCRG-CAVOSLQRSA-N 1 0 338.335 2.280 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3C)C[C@H]1[N@@H+]2C ZINC001225690174 1301125382 /nfs/dbraw/zinc/12/53/82/1301125382.db2.gz SMGWLACNXJZGPD-LBEHMCEESA-N 1 0 334.372 2.449 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1ccccc1O ZINC001228051407 1302075546 /nfs/dbraw/zinc/07/55/46/1302075546.db2.gz VORCXTGKGRHZRH-CQSZACIVSA-O 1 0 330.404 2.422 20 5 EEBDRO COC(=O)C[C@@H]1CC(c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2)=NO1 ZINC001229689149 1302917071 /nfs/dbraw/zinc/91/70/71/1302917071.db2.gz JGHJWOCLZSDXGA-BBRMVZONSA-N 1 0 335.424 2.216 20 5 EEBDRO COCCC[NH+]1CCC(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001230319853 1303158004 /nfs/dbraw/zinc/15/80/04/1303158004.db2.gz ZOFRDKXLSJQSLG-UHFFFAOYSA-N 1 0 339.348 2.383 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc4c(cccc4[N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001231159021 1303656456 /nfs/dbraw/zinc/65/64/56/1303656456.db2.gz RNBGWFDQQNNCEH-IUIKQTSFSA-N 1 0 327.340 2.326 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)C[NH+]3CCCC3)CCC2)c([N+](=O)[O-])c1 ZINC001111813595 1303928536 /nfs/dbraw/zinc/92/85/36/1303928536.db2.gz RZBNIOZDYXVMST-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO C[C@@]1(CO)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219476 1304041301 /nfs/dbraw/zinc/04/13/01/1304041301.db2.gz URJRNUQAVSOUQY-XLIONFOSSA-N 1 0 337.423 2.348 20 5 EEBDRO COC1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783654557 1304320188 /nfs/dbraw/zinc/32/01/88/1304320188.db2.gz YYLATZSWOTZEMX-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(OC(F)(F)F)ccc1F ZINC001234370902 1304901531 /nfs/dbraw/zinc/90/15/31/1304901531.db2.gz OIJMSEDBNZFZBY-SECBINFHSA-N 1 0 340.293 2.087 20 5 EEBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001119321807 1309048308 /nfs/dbraw/zinc/04/83/08/1309048308.db2.gz KJBJVEIWNYMBAI-ZYHUDNBSSA-N 1 0 341.795 2.226 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001120008282 1309278761 /nfs/dbraw/zinc/27/87/61/1309278761.db2.gz NJBZREMZYGYSKP-KRWDZBQOSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2(Cc3ccccn3)CC[NH2+]CC2)c(F)c1 ZINC001161491879 1320516570 /nfs/dbraw/zinc/51/65/70/1320516570.db2.gz TXSYBDBTBKTENB-UHFFFAOYSA-N 1 0 331.351 2.301 20 5 EEBDRO CO[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000840126553 1315303019 /nfs/dbraw/zinc/30/30/19/1315303019.db2.gz PQGPYEQYCZGAMQ-IUODEOHRSA-N 1 0 331.376 2.168 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843347095 1315895434 /nfs/dbraw/zinc/89/54/34/1315895434.db2.gz RHCYVCWOJQVIQA-GWCFXTLKSA-N 1 0 340.811 2.388 20 5 EEBDRO CNc1ccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000843455276 1315917970 /nfs/dbraw/zinc/91/79/70/1315917970.db2.gz ALNBZZAVECOCGI-UHFFFAOYSA-N 1 0 344.375 2.010 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843474312 1315920219 /nfs/dbraw/zinc/92/02/19/1315920219.db2.gz PBIDSJBCMVVZSZ-SSDOTTSWSA-N 1 0 348.172 2.224 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843486878 1315922206 /nfs/dbraw/zinc/92/22/06/1315922206.db2.gz WUCQOGRTOBHPJO-ZIAGYGMSSA-N 1 0 346.431 2.123 20 5 EEBDRO COc1cc(C)nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001155453369 1317603127 /nfs/dbraw/zinc/60/31/27/1317603127.db2.gz NCWQKIUVACJDBY-CYBMUJFWSA-N 1 0 345.403 2.330 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NCC[C@H]3CCOC34C[NH2+]C4)nc21 ZINC001155477713 1317614646 /nfs/dbraw/zinc/61/46/46/1317614646.db2.gz OEBDNGCCYVYZGK-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@]34C[NH2+]C[C@H]3COC4)c2c1 ZINC001155515847 1317632423 /nfs/dbraw/zinc/63/24/23/1317632423.db2.gz LJXWZDSSKNFLEI-QFYYESIMSA-N 1 0 348.790 2.444 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155550236 1317647190 /nfs/dbraw/zinc/64/71/90/1317647190.db2.gz TUNUIKXNPKUFSP-YPMHNXCESA-N 1 0 334.763 2.397 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155549631 1317647268 /nfs/dbraw/zinc/64/72/68/1317647268.db2.gz OQTNVTTWMZQVRB-CABCVRRESA-N 1 0 342.355 2.292 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC001155616250 1317675528 /nfs/dbraw/zinc/67/55/28/1317675528.db2.gz COSNCAICEMERSK-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1cnc(NCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001156495808 1318040585 /nfs/dbraw/zinc/04/05/85/1318040585.db2.gz OBKNMFHMWGNEID-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001254532863 1318111511 /nfs/dbraw/zinc/11/15/11/1318111511.db2.gz QZVUWTWDNJGCSJ-LRDDRELGSA-N 1 0 330.388 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001254571726 1318126049 /nfs/dbraw/zinc/12/60/49/1318126049.db2.gz AVRYZKXGEBEUAQ-ZBFHGGJFSA-N 1 0 326.352 2.492 20 5 EEBDRO O=C(C1CCC1)N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599931 1318141250 /nfs/dbraw/zinc/14/12/50/1318141250.db2.gz MYVZXIHHUFECHZ-SFHVURJKSA-N 1 0 343.427 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ncccn1)[C@@H]1CCC[NH2+]C1)C2 ZINC001254604352 1318142340 /nfs/dbraw/zinc/14/23/40/1318142340.db2.gz VXNAWOCXLIOHEC-SJORKVTESA-N 1 0 339.399 2.111 20 5 EEBDRO COC(=O)c1ccnc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001156773821 1318205633 /nfs/dbraw/zinc/20/56/33/1318205633.db2.gz KACBQKGCSBDXBH-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156830692 1318231915 /nfs/dbraw/zinc/23/19/15/1318231915.db2.gz SLWMXLIQQMLKQO-UHFFFAOYSA-N 1 0 344.762 2.229 20 5 EEBDRO Cc1ccn(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157089087 1318393053 /nfs/dbraw/zinc/39/30/53/1318393053.db2.gz VCZJHIXFKLVVFW-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256093952 1318645980 /nfs/dbraw/zinc/64/59/80/1318645980.db2.gz TUVIQJYXVUMSDN-OAHLLOKOSA-N 1 0 335.404 2.029 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(c2cnccn2)C2CC[NH2+]CC2)n1 ZINC001157541407 1318704078 /nfs/dbraw/zinc/70/40/78/1318704078.db2.gz MUKVSHQEFJFOJL-UHFFFAOYSA-N 1 0 328.376 2.287 20 5 EEBDRO COCC1(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001157814860 1318880355 /nfs/dbraw/zinc/88/03/55/1318880355.db2.gz RGGZVECKKXVSMS-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157895631 1318920902 /nfs/dbraw/zinc/92/09/02/1318920902.db2.gz JYTIOTWXCZRHAR-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1 ZINC001158258846 1319117718 /nfs/dbraw/zinc/11/77/18/1319117718.db2.gz JXZAHKPIQWUWDY-CQSZACIVSA-N 1 0 341.415 2.145 20 5 EEBDRO Cc1nc(N(c2ccncc2F)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001158347432 1319189836 /nfs/dbraw/zinc/18/98/36/1319189836.db2.gz KDQFLUFZYLPRSE-UHFFFAOYSA-N 1 0 332.339 2.117 20 5 EEBDRO CCOC(=O)c1ccnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001158831259 1319458068 /nfs/dbraw/zinc/45/80/68/1319458068.db2.gz DOTGRDOGDYOFHR-UHFFFAOYSA-N 1 0 334.376 2.064 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC4(C[NH2+]C4)CC3)c2c1 ZINC001159042387 1319574562 /nfs/dbraw/zinc/57/45/62/1319574562.db2.gz UADBBGKWTMFJFW-UHFFFAOYSA-N 1 0 333.779 2.381 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107857 1320071232 /nfs/dbraw/zinc/07/12/32/1320071232.db2.gz VUTCYADBNLDZEQ-HUUCEWRRSA-N 1 0 335.429 2.052 20 5 EEBDRO [NH3+]Cc1nccnc1Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001160249624 1320111457 /nfs/dbraw/zinc/11/14/57/1320111457.db2.gz BCCZCPNIIZJNOI-UHFFFAOYSA-N 1 0 341.306 2.183 20 5 EEBDRO [NH3+]C[C@]1(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CN2CCC1CC2 ZINC001160509876 1320179719 /nfs/dbraw/zinc/17/97/19/1320179719.db2.gz CAYCYQQZVRCAAH-ZDUSSCGKSA-N 1 0 346.218 2.132 20 5 EEBDRO Cc1nc(Cl)nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160735048 1320253675 /nfs/dbraw/zinc/25/36/75/1320253675.db2.gz BWTKMBNIPSESEH-NKWVEPMBSA-N 1 0 339.705 2.299 20 5 EEBDRO CCC(=O)NCC1(COC)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001162036494 1320729073 /nfs/dbraw/zinc/72/90/73/1320729073.db2.gz NWFAWMIGLXILRO-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO COc1nc(C)nc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001162759029 1320951698 /nfs/dbraw/zinc/95/16/98/1320951698.db2.gz NUMKALRSXQEIBY-MRVPVSSYSA-N 1 0 328.332 2.060 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccnc21 ZINC001163174940 1321059386 /nfs/dbraw/zinc/05/93/86/1321059386.db2.gz BXDKFVMHTRRFNI-XHBSWPGZSA-N 1 0 328.372 2.179 20 5 EEBDRO CN(C)c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163282875 1321087542 /nfs/dbraw/zinc/08/75/42/1321087542.db2.gz BHICSEUNQZMOEV-DYVFJYSZSA-N 1 0 334.420 2.231 20 5 EEBDRO CC[N@@H+]1CCCN(c2nc(Cl)nc(SC)c2[N+](=O)[O-])CC1 ZINC001163775218 1321214451 /nfs/dbraw/zinc/21/44/51/1321214451.db2.gz VLLKXSHPRHUIMT-UHFFFAOYSA-N 1 0 331.829 2.292 20 5 EEBDRO CCOc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164211238 1321318850 /nfs/dbraw/zinc/31/88/50/1321318850.db2.gz LYEJXJXOKDKVGH-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164462110 1321387203 /nfs/dbraw/zinc/38/72/03/1321387203.db2.gz LVWBUYRQJFKJJB-JGVFFNPUSA-N 1 0 331.829 2.324 20 5 EEBDRO Cc1c(C)c(N2CC[NH+](CCc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001165060393 1321448930 /nfs/dbraw/zinc/44/89/30/1321448930.db2.gz TWQJHSBRBRQMGI-UHFFFAOYSA-N 1 0 341.415 2.366 20 5 EEBDRO COc1cc2ncnc(N(C)CC[NH+]3CCCC3)c2cc1[N+](=O)[O-] ZINC001165140189 1321464271 /nfs/dbraw/zinc/46/42/71/1321464271.db2.gz IUXHQOGEGMPYOI-UHFFFAOYSA-N 1 0 331.376 2.079 20 5 EEBDRO Cc1nc2c(n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352963 1321507277 /nfs/dbraw/zinc/50/72/77/1321507277.db2.gz JPZMKSYREQYQTB-UHFFFAOYSA-N 1 0 342.186 2.479 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001166702779 1321769976 /nfs/dbraw/zinc/76/99/76/1321769976.db2.gz OVFOTCZVMPABDG-AWEZNQCLSA-N 1 0 336.355 2.233 20 5 EEBDRO [NH3+][C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C[C@@H]1F ZINC001166929542 1321819642 /nfs/dbraw/zinc/81/96/42/1321819642.db2.gz BVXANENFWCAPCP-WDEREUQCSA-N 1 0 337.742 2.191 20 5 EEBDRO CCOCCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204759193 1322221607 /nfs/dbraw/zinc/22/16/07/1322221607.db2.gz VWDSPBKLVKARHP-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC001262048892 1322226731 /nfs/dbraw/zinc/22/67/31/1322226731.db2.gz HBLBTKFMPRTMQM-SECBINFHSA-N 1 0 331.294 2.017 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001310519175 1331694550 /nfs/dbraw/zinc/69/45/50/1331694550.db2.gz NFLNPJJVFPWFGU-CQSZACIVSA-N 1 0 343.387 2.145 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001321371146 1333087442 /nfs/dbraw/zinc/08/74/42/1333087442.db2.gz HEEZZWVSOPRRHO-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001322652639 1333301532 /nfs/dbraw/zinc/30/15/32/1333301532.db2.gz DFFWYWQVUZYKIJ-ZYHUDNBSSA-N 1 0 326.324 2.174 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC001327151184 1334235338 /nfs/dbraw/zinc/23/53/38/1334235338.db2.gz PFPRANYTAUCVAG-BLLLJJGKSA-N 1 0 327.388 2.184 20 5 EEBDRO O=[N+]([O-])c1c(N2CCC([NH2+]CCO)CC2)cccc1C(F)(F)F ZINC001331145660 1334971072 /nfs/dbraw/zinc/97/10/72/1334971072.db2.gz MLTGTKWZRIYWMS-UHFFFAOYSA-N 1 0 333.310 2.164 20 5 EEBDRO CC(C)([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001333695737 1336108241 /nfs/dbraw/zinc/10/82/41/1336108241.db2.gz IQVVWGGRSKOTQR-UHFFFAOYSA-N 1 0 344.209 2.143 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001333734594 1336118599 /nfs/dbraw/zinc/11/85/99/1336118599.db2.gz QFIAHZNZNHOLPQ-INIZCTEOSA-N 1 0 346.431 2.116 20 5 EEBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001336988360 1336626627 /nfs/dbraw/zinc/62/66/27/1336626627.db2.gz CQGPBYIJNKPWGW-HNNXBMFYSA-N 1 0 332.404 2.267 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001341765286 1337298012 /nfs/dbraw/zinc/29/80/12/1337298012.db2.gz ILDUJJPNDJFOAT-JZXOWHBKSA-N 1 0 329.400 2.300 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001575799781 1343888966 /nfs/dbraw/zinc/88/89/66/1343888966.db2.gz ZTXFOVYNTORSOP-GFCCVEGCSA-N 1 0 335.404 2.500 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001589134240 1348962896 /nfs/dbraw/zinc/96/28/96/1348962896.db2.gz LNOKAUHACWIJOL-NSHDSACASA-N 1 0 345.407 2.307 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001589134627 1348964564 /nfs/dbraw/zinc/96/45/64/1348964564.db2.gz FUYPIODKRUGORR-NSHDSACASA-N 1 0 331.380 2.060 20 5 EEBDRO CC1(C)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590104472 1349157180 /nfs/dbraw/zinc/15/71/80/1349157180.db2.gz NGLRLIVQXVNCGP-UHFFFAOYSA-N 1 0 334.405 2.102 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590410152 1349311028 /nfs/dbraw/zinc/31/10/28/1349311028.db2.gz NYXLFRMCNXEXLN-LLVKDONJSA-N 1 0 333.396 2.226 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001604220674 1350896292 /nfs/dbraw/zinc/89/62/92/1350896292.db2.gz OLWUJAIWGHKMBL-GFCCVEGCSA-N 1 0 345.407 2.227 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC001607083803 1351410908 /nfs/dbraw/zinc/41/09/08/1351410908.db2.gz NOKUQTTVLYDMSC-LLVKDONJSA-N 1 0 340.343 2.357 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637058 1369591254 /nfs/dbraw/zinc/59/12/54/1369591254.db2.gz OXXFLXNSCPINBL-CYBMUJFWSA-N 1 0 348.403 2.124 20 5 EEBDRO COc1ccc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000286316208 1369749137 /nfs/dbraw/zinc/74/91/37/1369749137.db2.gz UJOAKWSLJWGSJS-PBWFPOADSA-N 1 0 333.388 2.301 20 5 EEBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091502 1371273985 /nfs/dbraw/zinc/27/39/85/1371273985.db2.gz JVFVLWFLNQALDD-YOEHRIQHSA-N 1 0 332.356 2.172 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001111903408 1371294690 /nfs/dbraw/zinc/29/46/90/1371294690.db2.gz VWCBGQOEQMRFTQ-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001575298875 1403544116 /nfs/dbraw/zinc/54/41/16/1403544116.db2.gz PHTVPVJZHGDHCW-UHFFFAOYSA-N 1 0 346.387 2.156 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[C@H]1C[NH3+] ZINC001576783293 1403604178 /nfs/dbraw/zinc/60/41/78/1403604178.db2.gz PSQWINFVTMMLAW-IUCAKERBSA-N 1 0 341.799 2.279 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCCCC1 ZINC001580151027 1403837660 /nfs/dbraw/zinc/83/76/60/1403837660.db2.gz JRDRAIVNUNBDCP-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(Cl)ccc1F ZINC001751975854 1406157099 /nfs/dbraw/zinc/15/70/99/1406157099.db2.gz XLANQGCKGIDLBL-TZMCWYRMSA-N 1 0 343.786 2.082 20 5 EEBDRO Nc1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC001167161012 757427277 /nfs/dbraw/zinc/42/72/77/757427277.db2.gz QADHWFOUYBGTJA-UHFFFAOYSA-N 1 0 339.399 2.213 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)n[nH]1 ZINC001167249202 757572144 /nfs/dbraw/zinc/57/21/44/757572144.db2.gz ZOOINNSMCYZBEQ-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001167366125 758151789 /nfs/dbraw/zinc/15/17/89/758151789.db2.gz WZYKXPRBMQVLOA-UHFFFAOYSA-N 1 0 330.388 2.449 20 5 EEBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccc(F)cc1[N+](=O)[O-] ZINC001100543021 759985734 /nfs/dbraw/zinc/98/57/34/759985734.db2.gz LIIRGTWCDLZHDV-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000924193593 773831847 /nfs/dbraw/zinc/83/18/47/773831847.db2.gz AQNQJZPUEPBGEX-UHFFFAOYSA-N 1 0 346.181 2.048 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091380359 790512681 /nfs/dbraw/zinc/51/26/81/790512681.db2.gz PSQQAQUHJAYIOQ-BETUJISGSA-N 1 0 349.435 2.027 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818518100 785268760 /nfs/dbraw/zinc/26/87/60/785268760.db2.gz CPDJTPAKZUJMBN-OTYXRUKQSA-N 1 0 336.348 2.011 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000818532142 785274024 /nfs/dbraw/zinc/27/40/24/785274024.db2.gz SCBSGJFYFULWIQ-JTQLQIEISA-N 1 0 329.759 2.188 20 5 EEBDRO Cc1c(C(=O)NC(C)(C)CCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818603019 785318427 /nfs/dbraw/zinc/31/84/27/785318427.db2.gz UUXHNKCFEIXYPS-UHFFFAOYSA-N 1 0 338.364 2.367 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000818950564 785339917 /nfs/dbraw/zinc/33/99/17/785339917.db2.gz WZSYSOWLLDNITA-VHSXEESVSA-N 1 0 335.187 2.118 20 5 EEBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819069423 785411957 /nfs/dbraw/zinc/41/19/57/785411957.db2.gz PEBJPOHEWBAAJI-NSHDSACASA-N 1 0 335.282 2.090 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000819149806 785423701 /nfs/dbraw/zinc/42/37/01/785423701.db2.gz MADAUWVZJDPUQD-XJKSGUPXSA-N 1 0 346.362 2.031 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000819177178 785450031 /nfs/dbraw/zinc/45/00/31/785450031.db2.gz RNAWSXLOPXWMJL-IMJJTQAJSA-N 1 0 338.429 2.273 20 5 EEBDRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819372908 785537684 /nfs/dbraw/zinc/53/76/84/785537684.db2.gz HFPURVDPUCAKLS-CYBMUJFWSA-N 1 0 336.369 2.266 20 5 EEBDRO CC(C)n1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001170951568 786017450 /nfs/dbraw/zinc/01/74/50/786017450.db2.gz KIXKNFCVJBMVJY-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@H]21 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285161878 /nfs/dbraw/zinc/16/18/78/285161878.db2.gz GDDLAFSMQIBZLD-SQNIBIBYSA-N 1 0 345.443 2.369 20 5 EEBDRO C[NH+](C)[C@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCSC1 ZINC000267081589 256025561 /nfs/dbraw/zinc/02/55/61/256025561.db2.gz KNAHEXDMBFBWAC-LBPRGKRZSA-N 1 0 327.435 2.153 20 5 EEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000268137706 256117533 /nfs/dbraw/zinc/11/75/33/256117533.db2.gz JVGBSBLQESMCRK-AAEUAGOBSA-N 1 0 328.376 2.042 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118829148 221190827 /nfs/dbraw/zinc/19/08/27/221190827.db2.gz NZJPQZUCHSNIPN-GJZGRUSLSA-N 1 0 346.431 2.482 20 5 EEBDRO C[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C1 ZINC000270976128 256194353 /nfs/dbraw/zinc/19/43/53/256194353.db2.gz BOPPBDGMQPDRQJ-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042157 256348267 /nfs/dbraw/zinc/34/82/67/256348267.db2.gz OPEJTSSPHVUFCA-LBPRGKRZSA-N 1 0 329.784 2.183 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000276970622 256484794 /nfs/dbraw/zinc/48/47/94/256484794.db2.gz FTTNLODPGFMDKC-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO COCC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000119368684 221305577 /nfs/dbraw/zinc/30/55/77/221305577.db2.gz POOFZNXMYWOCNS-UHFFFAOYSA-N 1 0 327.356 2.265 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174123350 533225543 /nfs/dbraw/zinc/22/55/43/533225543.db2.gz YKLSUUTVNNMFEY-CYBMUJFWSA-N 1 0 332.360 2.081 20 5 EEBDRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174653665 533371337 /nfs/dbraw/zinc/37/13/37/533371337.db2.gz IJFKKTAAPXNTSJ-KSSFIOAISA-N 1 0 344.415 2.453 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356620027 141027332 /nfs/dbraw/zinc/02/73/32/141027332.db2.gz IHGSZTHHUFPMTN-ZIAGYGMSSA-N 1 0 349.435 2.055 20 5 EEBDRO Cc1c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000177084844 143637916 /nfs/dbraw/zinc/63/79/16/143637916.db2.gz ISRYMKUBQXWWOE-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618255 292181828 /nfs/dbraw/zinc/18/18/28/292181828.db2.gz ZVDCJVUIMKMIGT-YOEHRIQHSA-N 1 0 332.404 2.453 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000077196138 292188153 /nfs/dbraw/zinc/18/81/53/292188153.db2.gz SCQNFPICGXJEDN-AWEZNQCLSA-N 1 0 346.431 2.258 20 5 EEBDRO CCC1(CC)[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OC ZINC000090559563 292219477 /nfs/dbraw/zinc/21/94/77/292219477.db2.gz FPHGMLAWTUURQA-CABCVRRESA-N 1 0 337.420 2.282 20 5 EEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000123410616 292280936 /nfs/dbraw/zinc/28/09/36/292280936.db2.gz IIHGHEGOQCTSJJ-UHFFFAOYSA-N 1 0 349.840 2.209 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106791080 159322485 /nfs/dbraw/zinc/32/24/85/159322485.db2.gz LUQPDCIPLWOBCR-CYBMUJFWSA-N 1 0 332.404 2.140 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153744921 159681342 /nfs/dbraw/zinc/68/13/42/159681342.db2.gz SEPFPDPXYWEJHT-LBPRGKRZSA-N 1 0 328.800 2.148 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000179026772 159916880 /nfs/dbraw/zinc/91/68/80/159916880.db2.gz IHYMXNKNAFPGDI-NSHDSACASA-N 1 0 346.412 2.400 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000178978613 159917083 /nfs/dbraw/zinc/91/70/83/159917083.db2.gz JLEUCIXZHUOSPR-IUODEOHRSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186768020 160082178 /nfs/dbraw/zinc/08/21/78/160082178.db2.gz YIHGZFFLCPROGB-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000193896286 160188680 /nfs/dbraw/zinc/18/86/80/160188680.db2.gz NPRPLOXXDPNPHM-WVIZBIQASA-N 1 0 348.447 2.347 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246170643 160265743 /nfs/dbraw/zinc/26/57/43/160265743.db2.gz IYELIPYZOUZCJG-GJZGRUSLSA-N 1 0 346.431 2.340 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000341948128 161026511 /nfs/dbraw/zinc/02/65/11/161026511.db2.gz RKHBUQDPLXNYNS-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO CC(=O)c1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000342214870 161048121 /nfs/dbraw/zinc/04/81/21/161048121.db2.gz YUWSOYAAFWLAJM-OAHLLOKOSA-N 1 0 335.404 2.302 20 5 EEBDRO C[C@@H]([NH2+][C@H](Cc1ccc(F)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000342420854 161064315 /nfs/dbraw/zinc/06/43/15/161064315.db2.gz OLLXSXJLBBANKE-BDJLRTHQSA-N 1 0 331.347 2.481 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000345017029 161264081 /nfs/dbraw/zinc/26/40/81/161264081.db2.gz RMLTUFFUZLXRCH-ZIAGYGMSSA-N 1 0 335.404 2.271 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000346458168 161374127 /nfs/dbraw/zinc/37/41/27/161374127.db2.gz DMTZRFGVSVQIEG-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352803241 162294084 /nfs/dbraw/zinc/29/40/84/162294084.db2.gz YGDXLWGCBKHDCT-GWCFXTLKSA-N 1 0 339.417 2.273 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1csc([N+](=O)[O-])c1 ZINC000355226942 163115922 /nfs/dbraw/zinc/11/59/22/163115922.db2.gz ULHNQFPVLZEGCI-RDBSUJKOSA-N 1 0 325.434 2.340 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358425358 163905269 /nfs/dbraw/zinc/90/52/69/163905269.db2.gz RESVWJRFJOSRRQ-ZFWWWQNUSA-N 1 0 335.379 2.362 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000368149205 166058975 /nfs/dbraw/zinc/05/89/75/166058975.db2.gz IOSJUMIAEQPQOE-OAHLLOKOSA-N 1 0 330.388 2.041 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000369825996 166338659 /nfs/dbraw/zinc/33/86/59/166338659.db2.gz NWXQDMMRFQKROE-WMZOPIPTSA-N 1 0 344.415 2.107 20 5 EEBDRO CCC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000375652469 167175207 /nfs/dbraw/zinc/17/52/07/167175207.db2.gz BTPSBBLXFSPZTF-UONOGXRCSA-N 1 0 333.388 2.463 20 5 EEBDRO C[C@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375700826 167177982 /nfs/dbraw/zinc/17/79/82/167177982.db2.gz JQFACSBHGUYEEK-LBPRGKRZSA-N 1 0 333.388 2.471 20 5 EEBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000375989117 167240934 /nfs/dbraw/zinc/24/09/34/167240934.db2.gz PXCAKIWZAAFJJH-KEYYUXOJSA-N 1 0 334.420 2.461 20 5 EEBDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000159651857 225255389 /nfs/dbraw/zinc/25/53/89/225255389.db2.gz LZZUAAOCWKUVGR-UHFFFAOYSA-N 1 0 336.348 2.203 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000160160926 292588089 /nfs/dbraw/zinc/58/80/89/292588089.db2.gz VOPYABVHMOSMSS-ZDUSSCGKSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122849091 222171270 /nfs/dbraw/zinc/17/12/70/222171270.db2.gz PRXUOUXBLJUEQZ-NSHDSACASA-N 1 0 342.827 2.172 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@]2(CCO)CCOC2)o1 ZINC000278494742 269233824 /nfs/dbraw/zinc/23/38/24/269233824.db2.gz MEGRWJADGAURMU-KRWDZBQOSA-N 1 0 332.356 2.486 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184111 269335633 /nfs/dbraw/zinc/33/56/33/269335633.db2.gz AJSOKZCKOUBRIU-NWANDNLSSA-N 1 0 338.404 2.289 20 5 EEBDRO C[C@@H]1OCC[C@@]12CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270804 269345275 /nfs/dbraw/zinc/34/52/75/269345275.db2.gz CYRZDXGTQVPBAW-MEDUHNTESA-N 1 0 333.344 2.116 20 5 EEBDRO Cc1cc(OCC(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000280404001 269359711 /nfs/dbraw/zinc/35/97/11/269359711.db2.gz AJQAHQNCIJCKJO-UHFFFAOYSA-N 1 0 335.404 2.130 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824236 269392705 /nfs/dbraw/zinc/39/27/05/269392705.db2.gz KHCNTJCVNUIDJY-YPMHNXCESA-N 1 0 341.358 2.277 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000193263801 274056828 /nfs/dbraw/zinc/05/68/28/274056828.db2.gz HBWUIBHHLZZVTO-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO CC[N@H+](C)CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272509398 274174572 /nfs/dbraw/zinc/17/45/72/274174572.db2.gz WTKLWHVHBHVPEZ-UHFFFAOYSA-N 1 0 347.362 2.289 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272755084 274181571 /nfs/dbraw/zinc/18/15/71/274181571.db2.gz FIRAWUMGHUMDLD-JQWIXIFHSA-N 1 0 335.408 2.009 20 5 EEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357992393 274242826 /nfs/dbraw/zinc/24/28/26/274242826.db2.gz VAHWPCOLLAQPSM-OLZOCXBDSA-N 1 0 334.420 2.316 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275498360 274253997 /nfs/dbraw/zinc/25/39/97/274253997.db2.gz QPBJNMALHLLQSZ-OAHLLOKOSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277272936 274279622 /nfs/dbraw/zinc/27/96/22/274279622.db2.gz SBUHZXDOCKVNGU-CYBMUJFWSA-N 1 0 336.392 2.217 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261621423 274657917 /nfs/dbraw/zinc/65/79/17/274657917.db2.gz AANWWUYGWRTAMI-VHSXEESVSA-N 1 0 341.209 2.106 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000287254521 274948740 /nfs/dbraw/zinc/94/87/40/274948740.db2.gz RERWYZQJOLJTSZ-LBPRGKRZSA-N 1 0 328.372 2.337 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165938810 274952497 /nfs/dbraw/zinc/95/24/97/274952497.db2.gz WNUCHIFDIHXIHS-PELKAZGASA-N 1 0 342.193 2.215 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000288426075 275056924 /nfs/dbraw/zinc/05/69/24/275056924.db2.gz OAUVTKUIIAZWFF-UHFFFAOYSA-N 1 0 341.367 2.257 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290531256 275215751 /nfs/dbraw/zinc/21/57/51/275215751.db2.gz OCQALCDAUJAKKY-LBPRGKRZSA-N 1 0 335.408 2.155 20 5 EEBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290956654 275255422 /nfs/dbraw/zinc/25/54/22/275255422.db2.gz NWLAYJJYYWGEDV-RYUDHWBXSA-N 1 0 347.419 2.154 20 5 EEBDRO CC(C)([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292147822 275384307 /nfs/dbraw/zinc/38/43/07/275384307.db2.gz NDRNPZKDZURLEV-GFCCVEGCSA-N 1 0 326.418 2.244 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1OCCc2sccc21 ZINC000292404338 275422607 /nfs/dbraw/zinc/42/26/07/275422607.db2.gz LNRNCFWNMHXEKG-BZNIZROVSA-N 1 0 349.412 2.110 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359607661 276890983 /nfs/dbraw/zinc/89/09/83/276890983.db2.gz CUXLJENZTRDSMB-UHFFFAOYSA-N 1 0 342.355 2.091 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[C@H]1CCC[NH2+]C1 ZINC000420217857 277994078 /nfs/dbraw/zinc/99/40/78/277994078.db2.gz XSGITLJRCZQOMQ-GFCCVEGCSA-N 1 0 330.388 2.375 20 5 EEBDRO C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449586634 278321060 /nfs/dbraw/zinc/32/10/60/278321060.db2.gz GFTCUXBJPPRNEL-DTWKUNHWSA-N 1 0 348.325 2.268 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000178202471 278864445 /nfs/dbraw/zinc/86/44/45/278864445.db2.gz CVBDAFWKCQHBMI-HOTGVXAUSA-N 1 0 347.463 2.293 20 5 EEBDRO C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000235655375 279727256 /nfs/dbraw/zinc/72/72/56/279727256.db2.gz XOOMGQAUJGJNAR-IUCAKERBSA-N 1 0 329.198 2.173 20 5 EEBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573912 280143811 /nfs/dbraw/zinc/14/38/11/280143811.db2.gz JOHIQEKWSKLQFR-SCVCMEIPSA-N 1 0 336.314 2.178 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000178979938 281262116 /nfs/dbraw/zinc/26/21/16/281262116.db2.gz YBBHVCVKIZCWPK-SWLSCSKDSA-N 1 0 341.433 2.089 20 5 EEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116371961 289180207 /nfs/dbraw/zinc/18/02/07/289180207.db2.gz IFTNWKSXIQMPHY-CQSZACIVSA-N 1 0 343.449 2.240 20 5 EEBDRO Cn1ncc(CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000292978315 293093372 /nfs/dbraw/zinc/09/33/72/293093372.db2.gz MUAPAXWOWLJXSI-UHFFFAOYSA-N 1 0 341.318 2.047 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000293127839 293132899 /nfs/dbraw/zinc/13/28/99/293132899.db2.gz RWWWSKKRQRSMMF-INIZCTEOSA-N 1 0 335.404 2.228 20 5 EEBDRO Cc1c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293597255 293247841 /nfs/dbraw/zinc/24/78/41/293247841.db2.gz FTHYQIIVIKZPQE-UHFFFAOYSA-N 1 0 348.359 2.027 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293808034 293300116 /nfs/dbraw/zinc/30/01/16/293300116.db2.gz AMYCGIUQEUFKBY-QGZVFWFLSA-N 1 0 343.387 2.029 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069299 293885001 /nfs/dbraw/zinc/88/50/01/293885001.db2.gz PKHNYTRHYKCLFF-ZTFRIQLXSA-N 1 0 347.415 2.133 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000296810481 294073139 /nfs/dbraw/zinc/07/31/39/294073139.db2.gz RJLKFXPNXAWSCF-SWLSCSKDSA-N 1 0 344.367 2.317 20 5 EEBDRO NC(=O)[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225147 294184873 /nfs/dbraw/zinc/18/48/73/294184873.db2.gz HMEXGFSUAGFKKB-GOEBONIOSA-N 1 0 326.356 2.183 20 5 EEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000449590267 298991689 /nfs/dbraw/zinc/99/16/89/298991689.db2.gz LBHOYKFTBWRKDJ-STQMWFEESA-N 1 0 334.420 2.297 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000237557730 300484640 /nfs/dbraw/zinc/48/46/40/300484640.db2.gz POBXTFNSDPRWEZ-STQMWFEESA-N 1 0 334.420 2.156 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000320588553 311595306 /nfs/dbraw/zinc/59/53/06/311595306.db2.gz VJGWXOWHWBRFHT-YUMQZZPRSA-N 1 0 330.182 2.213 20 5 EEBDRO CC(C)[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000332641637 312038845 /nfs/dbraw/zinc/03/88/45/312038845.db2.gz VZXRWCZRFLKYMM-KRWDZBQOSA-N 1 0 346.431 2.385 20 5 EEBDRO CC(C)Oc1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000411836413 312578875 /nfs/dbraw/zinc/57/88/75/312578875.db2.gz VWWFNVWWUKQYGA-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414654385 313057085 /nfs/dbraw/zinc/05/70/85/313057085.db2.gz JDDRTYVUCYQNMO-IJLUTSLNSA-N 1 0 334.376 2.113 20 5 EEBDRO CCOc1cc(NC(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414753476 313076212 /nfs/dbraw/zinc/07/62/12/313076212.db2.gz DSECBESDEUMHMW-UHFFFAOYSA-N 1 0 340.380 2.251 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718194 313575753 /nfs/dbraw/zinc/57/57/53/313575753.db2.gz NXNQKFYBPZBTSV-UKRRQHHQSA-N 1 0 334.420 2.296 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000417720784 313576548 /nfs/dbraw/zinc/57/65/48/313576548.db2.gz SCAFYBLPKOLBKO-OAHLLOKOSA-N 1 0 334.420 2.216 20 5 EEBDRO C[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430940127 314596051 /nfs/dbraw/zinc/59/60/51/314596051.db2.gz NVIXTARLHNFOAZ-ZDUSSCGKSA-N 1 0 334.420 2.162 20 5 EEBDRO CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000430961528 314599405 /nfs/dbraw/zinc/59/94/05/314599405.db2.gz OBCCGZQIORNYTD-AWEZNQCLSA-N 1 0 334.420 2.306 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)[C@H]2CCCSC2)c1 ZINC000439007927 315063243 /nfs/dbraw/zinc/06/32/43/315063243.db2.gz VYBRJHZYDAYMIN-AWEZNQCLSA-N 1 0 326.418 2.164 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444624043 315312263 /nfs/dbraw/zinc/31/22/63/315312263.db2.gz VDJODDIHAKSJMV-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO CCc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000520405754 316859217 /nfs/dbraw/zinc/85/92/17/316859217.db2.gz VKOUHPMVYKNVDH-UHFFFAOYSA-N 1 0 341.433 2.097 20 5 EEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000536828252 318010737 /nfs/dbraw/zinc/01/07/37/318010737.db2.gz QTKOFVLLMOKEQC-CQSZACIVSA-N 1 0 343.449 2.353 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000541982689 318119844 /nfs/dbraw/zinc/11/98/44/318119844.db2.gz HFKXOOBAYPCZLE-INIZCTEOSA-N 1 0 335.404 2.373 20 5 EEBDRO C[C@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000543386054 318156973 /nfs/dbraw/zinc/15/69/73/318156973.db2.gz OZXZSCVMFJIDBF-GFCCVEGCSA-N 1 0 349.387 2.318 20 5 EEBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414468 318387139 /nfs/dbraw/zinc/38/71/39/318387139.db2.gz GBMAZXPGSSSGSP-LLVKDONJSA-N 1 0 349.416 2.021 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000574838753 320061861 /nfs/dbraw/zinc/06/18/61/320061861.db2.gz MGOPMDYLUKEGKM-ZDUSSCGKSA-N 1 0 333.388 2.207 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CC[C@@H](CC3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000575476543 320106530 /nfs/dbraw/zinc/10/65/30/320106530.db2.gz LNRIGDXQUKVTEZ-BBRMVZONSA-N 1 0 343.383 2.349 20 5 EEBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000577692466 320269571 /nfs/dbraw/zinc/26/95/71/320269571.db2.gz SJVBNCVZSCRTLA-MRXNPFEDSA-N 1 0 331.416 2.374 20 5 EEBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000577692465 320269673 /nfs/dbraw/zinc/26/96/73/320269673.db2.gz SJVBNCVZSCRTLA-INIZCTEOSA-N 1 0 331.416 2.374 20 5 EEBDRO CC[C@H](C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316779 320307211 /nfs/dbraw/zinc/30/72/11/320307211.db2.gz LXDHXDIQCQAZKW-SWLSCSKDSA-N 1 0 344.433 2.019 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182250856 323369977 /nfs/dbraw/zinc/36/99/77/323369977.db2.gz YXSBJBGXJPHSAV-IUODEOHRSA-N 1 0 337.376 2.089 20 5 EEBDRO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000580194584 324013184 /nfs/dbraw/zinc/01/31/84/324013184.db2.gz VFTFYZREMGOCCE-VHSXEESVSA-N 1 0 347.362 2.463 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCCS1 ZINC000580829371 324136134 /nfs/dbraw/zinc/13/61/34/324136134.db2.gz ATBBXJIXFNMTCF-STQMWFEESA-N 1 0 326.418 2.210 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165902381 463648930 /nfs/dbraw/zinc/64/89/30/463648930.db2.gz OIZUIPVXWMYSOF-LLVKDONJSA-N 1 0 344.209 2.461 20 5 EEBDRO Cc1c(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000326338949 465037690 /nfs/dbraw/zinc/03/76/90/465037690.db2.gz AHPFCKOAJUFZMQ-INIZCTEOSA-N 1 0 325.368 2.406 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339126783 465098873 /nfs/dbraw/zinc/09/88/73/465098873.db2.gz HBKHRFKXGSBVFB-OAHLLOKOSA-N 1 0 336.392 2.169 20 5 EEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688333 465170700 /nfs/dbraw/zinc/17/07/00/465170700.db2.gz VAPYDIMUHJFIKU-TZMCWYRMSA-N 1 0 347.371 2.089 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497796 465186713 /nfs/dbraw/zinc/18/67/13/465186713.db2.gz YBGCZYFYKKSJSZ-KBPBESRZSA-N 1 0 331.376 2.468 20 5 EEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000339362036 465223395 /nfs/dbraw/zinc/22/33/95/465223395.db2.gz RFCPBMTXFDAPNH-LLVKDONJSA-N 1 0 343.347 2.271 20 5 EEBDRO CC(C)C[C@@H](C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347815663 465244244 /nfs/dbraw/zinc/24/42/44/465244244.db2.gz ZEQLFNZACIBLHI-CYBMUJFWSA-N 1 0 343.449 2.145 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127725753 462577780 /nfs/dbraw/zinc/57/77/80/462577780.db2.gz PHBOUHBRJGYSER-LLVKDONJSA-N 1 0 331.294 2.438 20 5 EEBDRO CC1CC[NH+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000087056993 462586464 /nfs/dbraw/zinc/58/64/64/462586464.db2.gz VVTCKZIEUGEDIK-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(CO)CO ZINC000128061278 462606337 /nfs/dbraw/zinc/60/63/37/462606337.db2.gz VEKCLTJBDFSUFY-UHFFFAOYSA-N 1 0 334.372 2.278 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114147974 462629125 /nfs/dbraw/zinc/62/91/25/462629125.db2.gz HXIDZJDAXOQQRX-STQMWFEESA-N 1 0 337.445 2.486 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000114675971 462670257 /nfs/dbraw/zinc/67/02/57/462670257.db2.gz XWTJGADRIKAVET-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635379 462699988 /nfs/dbraw/zinc/69/99/88/462699988.db2.gz CQGLBOXOULLKEK-DOMZBBRYSA-N 1 0 340.445 2.329 20 5 EEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000064995127 462732532 /nfs/dbraw/zinc/73/25/32/462732532.db2.gz DLTVDAFOWFKLTH-GDBMZVCRSA-N 1 0 349.431 2.000 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000075613738 462741493 /nfs/dbraw/zinc/74/14/93/462741493.db2.gz JSFLUJRCIAKVBY-GJZGRUSLSA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1c(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000130432042 462755988 /nfs/dbraw/zinc/75/59/88/462755988.db2.gz WCHNMWQREAJRTK-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116372491 462757649 /nfs/dbraw/zinc/75/76/49/462757649.db2.gz FRLAHRQSMAGIBJ-CQSZACIVSA-N 1 0 343.449 2.240 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047671890 462812299 /nfs/dbraw/zinc/81/22/99/462812299.db2.gz SZMLQVRKHVYWRN-UHFFFAOYSA-N 1 0 349.435 2.085 20 5 EEBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000047920165 462836105 /nfs/dbraw/zinc/83/61/05/462836105.db2.gz DQECAKPKQZXXTC-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000155536466 462905503 /nfs/dbraw/zinc/90/55/03/462905503.db2.gz FEOLFDPDTGQXKO-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000133651451 462955852 /nfs/dbraw/zinc/95/58/52/462955852.db2.gz YNVGBVRTPFUWNE-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000067264777 462983860 /nfs/dbraw/zinc/98/38/60/462983860.db2.gz NBEBHDAPGNZYGH-UHFFFAOYSA-N 1 0 338.383 2.166 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000078576754 463130119 /nfs/dbraw/zinc/13/01/19/463130119.db2.gz OUJMEWZPXXHIMW-AWEZNQCLSA-N 1 0 348.403 2.472 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568506565 468347524 /nfs/dbraw/zinc/34/75/24/468347524.db2.gz BVWFBXZCPRMACU-OAHLLOKOSA-N 1 0 341.367 2.107 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000136835962 463259914 /nfs/dbraw/zinc/25/99/14/463259914.db2.gz OSIBIJLUQWBRQS-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000030338398 463294961 /nfs/dbraw/zinc/29/49/61/463294961.db2.gz AEXLHRLUKQPFFV-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137873608 463302120 /nfs/dbraw/zinc/30/21/20/463302120.db2.gz HEKSCLLJTOGNGW-HOCLYGCPSA-N 1 0 332.404 2.221 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000055403229 463316626 /nfs/dbraw/zinc/31/66/26/463316626.db2.gz YEGMYAFYIYJWFS-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140032216 463336321 /nfs/dbraw/zinc/33/63/21/463336321.db2.gz XGCITRUAKORYSF-JJRVBVJISA-N 1 0 346.431 2.338 20 5 EEBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000069845993 463337546 /nfs/dbraw/zinc/33/75/46/463337546.db2.gz RFFICSVFSQUGDX-UHFFFAOYSA-N 1 0 345.403 2.139 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169964 468353193 /nfs/dbraw/zinc/35/31/93/468353193.db2.gz JGJSFKMRDBZFFW-VXGBXAGGSA-N 1 0 347.371 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1C ZINC000123527814 463348809 /nfs/dbraw/zinc/34/88/09/463348809.db2.gz UFQJLGCACMQZMA-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169963 468353772 /nfs/dbraw/zinc/35/37/72/468353772.db2.gz JGJSFKMRDBZFFW-RYUDHWBXSA-N 1 0 347.371 2.022 20 5 EEBDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160908968 463381845 /nfs/dbraw/zinc/38/18/45/463381845.db2.gz MFAOXMSXDXBWKY-MRXNPFEDSA-N 1 0 335.404 2.338 20 5 EEBDRO NC(=O)[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104662418 463417340 /nfs/dbraw/zinc/41/73/40/463417340.db2.gz DONDXZUOWKPLFS-AWEZNQCLSA-N 1 0 344.371 2.132 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000124522847 463433094 /nfs/dbraw/zinc/43/30/94/463433094.db2.gz ZSZJEWSMMVSVAR-CYBMUJFWSA-N 1 0 343.387 2.055 20 5 EEBDRO CC(C)[N@H+](C)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000042104888 463541352 /nfs/dbraw/zinc/54/13/52/463541352.db2.gz NIURVXNEAVGGMO-UHFFFAOYSA-N 1 0 329.422 2.141 20 5 EEBDRO CC(C)(CCc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000151943696 463618435 /nfs/dbraw/zinc/61/84/35/463618435.db2.gz UBBPIVWNQKHHKS-INIZCTEOSA-N 1 0 332.404 2.153 20 5 EEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000058982246 463637972 /nfs/dbraw/zinc/63/79/72/463637972.db2.gz DSHMTRWEPFCUCS-UHFFFAOYSA-N 1 0 328.372 2.244 20 5 EEBDRO CC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000165144158 463640897 /nfs/dbraw/zinc/64/08/97/463640897.db2.gz HNTXAQWFVADXDW-CVEARBPZSA-N 1 0 335.404 2.273 20 5 EEBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126774676 463662751 /nfs/dbraw/zinc/66/27/51/463662751.db2.gz VAJUVWBRPDTCFG-AWEZNQCLSA-N 1 0 343.387 2.055 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000152241554 463665587 /nfs/dbraw/zinc/66/55/87/463665587.db2.gz BIJPFUAUYRQHIW-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170902714 463738392 /nfs/dbraw/zinc/73/83/92/463738392.db2.gz QJXBMJOTCBKJOK-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000185083704 463749748 /nfs/dbraw/zinc/74/97/48/463749748.db2.gz WKBIRRVEYXQMDQ-ZDUSSCGKSA-N 1 0 336.344 2.289 20 5 EEBDRO Cc1nnc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268466701 463754670 /nfs/dbraw/zinc/75/46/70/463754670.db2.gz LUWMTEZYLPWERK-ZDUSSCGKSA-N 1 0 331.376 2.280 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177664322 463759658 /nfs/dbraw/zinc/75/96/58/463759658.db2.gz OGFNLXUMNWTRNB-WCQYABFASA-N 1 0 348.403 2.028 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177790256 463792931 /nfs/dbraw/zinc/79/29/31/463792931.db2.gz FUOKFHLXJSYZJG-INIZCTEOSA-N 1 0 329.404 2.392 20 5 EEBDRO CC(C)(CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276884392 463793460 /nfs/dbraw/zinc/79/34/60/463793460.db2.gz PWAIBMJGBXSJOA-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000261667479 463820668 /nfs/dbraw/zinc/82/06/68/463820668.db2.gz GRHIGEUNFHAUSJ-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000195482261 464058570 /nfs/dbraw/zinc/05/85/70/464058570.db2.gz VJOXXBNRSDETBS-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC[N@@H+]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000263905831 464235012 /nfs/dbraw/zinc/23/50/12/464235012.db2.gz KSPFBPSZSCRPBX-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237078439 464261378 /nfs/dbraw/zinc/26/13/78/464261378.db2.gz AFOOQYYYJDOLNS-LBPRGKRZSA-N 1 0 341.795 2.228 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)COC ZINC000271450171 464314913 /nfs/dbraw/zinc/31/49/13/464314913.db2.gz GCRQCRKIMQXULG-STQMWFEESA-N 1 0 328.434 2.453 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237478130 464326307 /nfs/dbraw/zinc/32/63/07/464326307.db2.gz FLIMFKRYDXPTBK-ZYHUDNBSSA-N 1 0 341.795 2.274 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264453263 464332636 /nfs/dbraw/zinc/33/26/36/464332636.db2.gz DAHZJEANBMQJFK-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCC[NH2+]1 ZINC000238151016 464435645 /nfs/dbraw/zinc/43/56/45/464435645.db2.gz XIVBBMDKMKPHNR-HNNXBMFYSA-N 1 0 349.434 2.413 20 5 EEBDRO CC(C)[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174865872 464461165 /nfs/dbraw/zinc/46/11/65/464461165.db2.gz YWFOYYXCYIPZIK-KRWDZBQOSA-N 1 0 332.404 2.310 20 5 EEBDRO COC(=O)c1cnc(NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000189349694 464482131 /nfs/dbraw/zinc/48/21/31/464482131.db2.gz NNMWYQAXZROAQT-GFCCVEGCSA-N 1 0 336.392 2.166 20 5 EEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285191445 464482750 /nfs/dbraw/zinc/48/27/50/464482750.db2.gz SBMIHVUGXYQRDX-UHFFFAOYSA-N 1 0 331.376 2.088 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000264864809 464496346 /nfs/dbraw/zinc/49/63/46/464496346.db2.gz FSPPFXYXXRMHLD-AWEZNQCLSA-N 1 0 339.440 2.054 20 5 EEBDRO CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000272183867 464509503 /nfs/dbraw/zinc/50/95/03/464509503.db2.gz JNWGWBAZMPQBAB-CYBMUJFWSA-N 1 0 327.331 2.239 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294474474 464510955 /nfs/dbraw/zinc/51/09/55/464510955.db2.gz MIHRDVCGVGYOCZ-UHFFFAOYSA-N 1 0 335.404 2.404 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000272371680 464582047 /nfs/dbraw/zinc/58/20/47/464582047.db2.gz BPRMVIPTIUIPEJ-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246749837 464618025 /nfs/dbraw/zinc/61/80/25/464618025.db2.gz HEKSCLLJTOGNGW-GOEBONIOSA-N 1 0 332.404 2.221 20 5 EEBDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000281900762 464628397 /nfs/dbraw/zinc/62/83/97/464628397.db2.gz BNSWZTFAAIFBAK-WMLDXEAASA-N 1 0 346.431 2.022 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000294934582 464653628 /nfs/dbraw/zinc/65/36/28/464653628.db2.gz KYYGFOQASWMWGT-GOSISDBHSA-N 1 0 347.415 2.232 20 5 EEBDRO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000285934460 464749025 /nfs/dbraw/zinc/74/90/25/464749025.db2.gz DAAIEGMOXRQSPQ-LBPRGKRZSA-N 1 0 334.376 2.468 20 5 EEBDRO C[C@@H]1CSCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249028703 464830757 /nfs/dbraw/zinc/83/07/57/464830757.db2.gz LTZCIUQGVYCFRP-QWHCGFSZSA-N 1 0 326.418 2.019 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000295458679 464844730 /nfs/dbraw/zinc/84/47/30/464844730.db2.gz XEUKSEGJHCYKFT-ZDUSSCGKSA-N 1 0 347.415 2.225 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176818416 464859050 /nfs/dbraw/zinc/85/90/50/464859050.db2.gz ZLAGPQIZUAZBSF-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276258349 464867362 /nfs/dbraw/zinc/86/73/62/464867362.db2.gz ARUFRDFXKZWKKZ-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192189102 464882177 /nfs/dbraw/zinc/88/21/77/464882177.db2.gz SIKYZTXDEYPARA-OCCSQVGLSA-N 1 0 326.418 2.162 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295593353 464894971 /nfs/dbraw/zinc/89/49/71/464894971.db2.gz WTYVBQBREQVPLV-WFASDCNBSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295593345 464895433 /nfs/dbraw/zinc/89/54/33/464895433.db2.gz WTYVBQBREQVPLV-IUODEOHRSA-N 1 0 335.404 2.405 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000267032559 464909645 /nfs/dbraw/zinc/90/96/45/464909645.db2.gz BLGLWDVWFOBINV-KRWDZBQOSA-N 1 0 330.388 2.237 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249820779 464918485 /nfs/dbraw/zinc/91/84/85/464918485.db2.gz GLVVZGMZCFPOIU-JSGCOSHPSA-N 1 0 335.429 2.382 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000177090698 464927092 /nfs/dbraw/zinc/92/70/92/464927092.db2.gz INTXVMAEOYDXJY-LBPRGKRZSA-N 1 0 339.440 2.367 20 5 EEBDRO CC[C@H](CO)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000295684623 464928161 /nfs/dbraw/zinc/92/81/61/464928161.db2.gz KUJUUSQOWBCCOW-SNVBAGLBSA-N 1 0 334.319 2.408 20 5 EEBDRO C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000295812768 464973177 /nfs/dbraw/zinc/97/31/77/464973177.db2.gz ULEBSINETGEUBC-CYBMUJFWSA-N 1 0 345.399 2.324 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000286628084 464984300 /nfs/dbraw/zinc/98/43/00/464984300.db2.gz YCYOULWDWBZMDP-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295871793 464992637 /nfs/dbraw/zinc/99/26/37/464992637.db2.gz YWJIYFCPOFNIMP-UHFFFAOYSA-N 1 0 325.409 2.395 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000282925264 465004291 /nfs/dbraw/zinc/00/42/91/465004291.db2.gz WROVMWGMCRZXMT-SWLSCSKDSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593914866 468431537 /nfs/dbraw/zinc/43/15/37/468431537.db2.gz GQWYVBFJDUWSJI-KBPBESRZSA-N 1 0 334.420 2.007 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919702 465389158 /nfs/dbraw/zinc/38/91/58/465389158.db2.gz IYQCHNZCTIUWQO-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000337550934 465428271 /nfs/dbraw/zinc/42/82/71/465428271.db2.gz OGWRPZYJAKXIGB-STQMWFEESA-N 1 0 347.423 2.411 20 5 EEBDRO Cc1cc(NCCc2ccc(OCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000348185440 465478242 /nfs/dbraw/zinc/47/82/42/465478242.db2.gz YMIWKTXSORDJNB-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000600029142 468439152 /nfs/dbraw/zinc/43/91/52/468439152.db2.gz MUGJGCVQZBDIRX-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000360012152 465518218 /nfs/dbraw/zinc/51/82/18/465518218.db2.gz RWXKTPFMYISDKC-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000343801756 465555815 /nfs/dbraw/zinc/55/58/15/465555815.db2.gz DCNSUNAGZIBBOI-RISCZKNCSA-N 1 0 330.392 2.379 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000337902405 465670569 /nfs/dbraw/zinc/67/05/69/465670569.db2.gz RIQTXRXCOCHMEF-STQMWFEESA-N 1 0 331.376 2.187 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccccc2)cc1[N+](=O)[O-] ZINC000353237839 465737036 /nfs/dbraw/zinc/73/70/36/465737036.db2.gz OLPSZAJGSFUHMB-UHFFFAOYSA-N 1 0 344.367 2.479 20 5 EEBDRO Cn1nc(C(F)(F)F)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000597126642 468452265 /nfs/dbraw/zinc/45/22/65/468452265.db2.gz GLXMRDDFFLDLKU-UHFFFAOYSA-N 1 0 343.309 2.312 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000344776558 465789976 /nfs/dbraw/zinc/78/99/76/465789976.db2.gz SELATYBRUZYTMM-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000591354739 468455962 /nfs/dbraw/zinc/45/59/62/468455962.db2.gz UOGWMMVCNYQOLY-RCBQFDQVSA-N 1 0 332.404 2.439 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000591352776 468456165 /nfs/dbraw/zinc/45/61/65/468456165.db2.gz PLYCGRJPOMKVST-CQSZACIVSA-N 1 0 349.435 2.147 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591357257 468457510 /nfs/dbraw/zinc/45/75/10/468457510.db2.gz ZKTVBICGJFBISU-UHFFFAOYSA-N 1 0 346.309 2.165 20 5 EEBDRO C[NH+](C)CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000594001037 468456383 /nfs/dbraw/zinc/45/63/83/468456383.db2.gz NSMSMANBXDKCJD-UHFFFAOYSA-N 1 0 344.415 2.432 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000331063936 465919472 /nfs/dbraw/zinc/91/94/72/465919472.db2.gz WLMJCVVZAATCOG-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301509150 465975635 /nfs/dbraw/zinc/97/56/35/465975635.db2.gz CNARTOKGYIYTAB-NSHDSACASA-N 1 0 331.376 2.022 20 5 EEBDRO CNc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216389 466000183 /nfs/dbraw/zinc/00/01/83/466000183.db2.gz INJDWGMKRACHCX-HEHGZKQESA-N 1 0 346.431 2.439 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000301688945 466011216 /nfs/dbraw/zinc/01/12/16/466011216.db2.gz MWHHXTNTNCQACC-NSHDSACASA-N 1 0 339.193 2.203 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331298424 466019023 /nfs/dbraw/zinc/01/90/23/466019023.db2.gz VADKGTOSGVFHLX-GFCCVEGCSA-N 1 0 343.449 2.158 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000331371064 466052528 /nfs/dbraw/zinc/05/25/28/466052528.db2.gz DNLLKHPJYNMCMS-ZJUUUORDSA-N 1 0 339.342 2.157 20 5 EEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CCO ZINC000302529491 466151473 /nfs/dbraw/zinc/15/14/73/466151473.db2.gz KVRVWQJEUZKPOT-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000372087517 466153818 /nfs/dbraw/zinc/15/38/18/466153818.db2.gz DMUYLFBELSEXKP-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349783468 466238832 /nfs/dbraw/zinc/23/88/32/466238832.db2.gz LZVKBGJZGXILFP-JTQLQIEISA-N 1 0 349.840 2.255 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000305457663 466410839 /nfs/dbraw/zinc/41/08/39/466410839.db2.gz ULTONUJWAOTMQA-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1cc(Cc2noc(CC3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000350167316 466412770 /nfs/dbraw/zinc/41/27/70/466412770.db2.gz KIPGWYAMGNPPDX-UHFFFAOYSA-N 1 0 346.387 2.462 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(CO)CC1 ZINC000361980572 466456507 /nfs/dbraw/zinc/45/65/07/466456507.db2.gz LDIHIEDWPBTKTG-IYXRBSQSSA-N 1 0 335.404 2.453 20 5 EEBDRO COc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000332229949 466458638 /nfs/dbraw/zinc/45/86/38/466458638.db2.gz PSSYHEOBRIUVQJ-TZMCWYRMSA-N 1 0 333.388 2.160 20 5 EEBDRO COCCNC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000347279443 466530062 /nfs/dbraw/zinc/53/00/62/466530062.db2.gz WRVZWFFGDLCBSC-XJKSGUPXSA-N 1 0 337.420 2.423 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347315477 466559293 /nfs/dbraw/zinc/55/92/93/466559293.db2.gz PXKQGIHNDLHGPH-WMLDXEAASA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591673371 468501501 /nfs/dbraw/zinc/50/15/01/468501501.db2.gz RTQVQONZPFTKKF-CMPLNLGQSA-N 1 0 327.331 2.325 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000324378629 466646406 /nfs/dbraw/zinc/64/64/06/466646406.db2.gz LBJWCIBSAXCRFS-QGZVFWFLSA-N 1 0 325.368 2.440 20 5 EEBDRO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)oc1C ZINC000373246110 466740642 /nfs/dbraw/zinc/74/06/42/466740642.db2.gz NUXVJLDPDHCDNV-UHFFFAOYSA-N 1 0 348.359 2.316 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000365509524 466841735 /nfs/dbraw/zinc/84/17/35/466841735.db2.gz DFOUFCFTHVSUBJ-ZDUSSCGKSA-N 1 0 349.435 2.218 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000423941699 466921969 /nfs/dbraw/zinc/92/19/69/466921969.db2.gz PCVSXIKWONDYLD-INIZCTEOSA-N 1 0 343.387 2.028 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424044864 466962766 /nfs/dbraw/zinc/96/27/66/466962766.db2.gz GAJLIPJCUANLNO-UHFFFAOYSA-N 1 0 329.784 2.261 20 5 EEBDRO Cc1c(CC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000424074945 466972935 /nfs/dbraw/zinc/97/29/35/466972935.db2.gz KTFLQKDDTKAJTJ-HNNXBMFYSA-N 1 0 325.368 2.362 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418001015 467017782 /nfs/dbraw/zinc/01/77/82/467017782.db2.gz XQCCAWSZSDBJLZ-ZDUSSCGKSA-N 1 0 340.811 2.184 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418000874 467017861 /nfs/dbraw/zinc/01/78/61/467017861.db2.gz XHJUYIRCBOHOJW-MFKMUULPSA-N 1 0 340.811 2.217 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418733146 467152547 /nfs/dbraw/zinc/15/25/47/467152547.db2.gz UZEIQKQYXMOSBV-GXTWGEPZSA-N 1 0 348.403 2.016 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413174915 467184068 /nfs/dbraw/zinc/18/40/68/467184068.db2.gz UEKUBRPCWTZCLF-VVLHAWIVSA-N 1 0 329.400 2.441 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000427962995 467188821 /nfs/dbraw/zinc/18/88/21/467188821.db2.gz HFLPUBGVYOYTGW-IOASZLSFSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000419344885 467191828 /nfs/dbraw/zinc/19/18/28/467191828.db2.gz SMPRDBHBHUJTQU-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C[C@H]21 ZINC000413286963 467207875 /nfs/dbraw/zinc/20/78/75/467207875.db2.gz FBQMJQGUXWEMHS-HZPDHXFCSA-N 1 0 328.372 2.052 20 5 EEBDRO Cc1[nH+]c2c(n1[C@H]1CCN(Cc3c([N+](=O)[O-])ncn3C)C1)CCCC2 ZINC000432083033 467214210 /nfs/dbraw/zinc/21/42/10/467214210.db2.gz VMVBPUFEMFESQB-ZDUSSCGKSA-N 1 0 344.419 2.159 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432167065 467220393 /nfs/dbraw/zinc/22/03/93/467220393.db2.gz UJVQUTHPHZVAGG-UKRRQHHQSA-N 1 0 342.399 2.442 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451430554 467256550 /nfs/dbraw/zinc/25/65/50/467256550.db2.gz XZFPTTFOROLVJZ-IIAWOOMASA-N 1 0 347.415 2.467 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451847169 467272064 /nfs/dbraw/zinc/27/20/64/467272064.db2.gz SLTTYKSJYVCPFH-ZDUSSCGKSA-N 1 0 345.403 2.239 20 5 EEBDRO CCn1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056606 467287906 /nfs/dbraw/zinc/28/79/06/467287906.db2.gz ZMLRUIORNDLVEU-LSDHHAIUSA-N 1 0 345.403 2.246 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429166401 467308085 /nfs/dbraw/zinc/30/80/85/467308085.db2.gz IOAPZXFZNCGVNZ-SNVBAGLBSA-N 1 0 330.182 2.070 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420289559 467340070 /nfs/dbraw/zinc/34/00/70/467340070.db2.gz UBEGDOHDFAYUCL-HZNSRWLBSA-N 1 0 329.360 2.171 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420375185 467384508 /nfs/dbraw/zinc/38/45/08/467384508.db2.gz SUJMVGISHFNRIP-CYBMUJFWSA-N 1 0 340.811 2.164 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420380216 467386747 /nfs/dbraw/zinc/38/67/47/467386747.db2.gz YFISKGNJRAODNO-GDZNZVCISA-N 1 0 334.420 2.208 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1C ZINC000420449123 467411502 /nfs/dbraw/zinc/41/15/02/467411502.db2.gz SNYXGSKESPLBIM-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCOC(C)(C)C1 ZINC000434694874 467419083 /nfs/dbraw/zinc/41/90/83/467419083.db2.gz NXORXMCTKYPYRP-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000414661758 467426714 /nfs/dbraw/zinc/42/67/14/467426714.db2.gz XVVJQWVWHPCWMW-HAQNSBGRSA-N 1 0 336.392 2.490 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430563472 467440347 /nfs/dbraw/zinc/44/03/47/467440347.db2.gz WBNZJLBQOFVHHO-KGLIPLIRSA-N 1 0 332.404 2.058 20 5 EEBDRO COc1cc(CN2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430638328 467454151 /nfs/dbraw/zinc/45/41/51/467454151.db2.gz FIOKISCNLUCAIM-UHFFFAOYSA-N 1 0 331.319 2.000 20 5 EEBDRO COc1cc(CN2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435369257 467462672 /nfs/dbraw/zinc/46/26/72/467462672.db2.gz DWJCWWGINPAIJK-UHFFFAOYSA-N 1 0 345.346 2.170 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC000453271035 467474853 /nfs/dbraw/zinc/47/48/53/467474853.db2.gz FYCWNPCUPQHXKG-NWDGAFQWSA-N 1 0 331.380 2.060 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435614369 467481126 /nfs/dbraw/zinc/48/11/26/467481126.db2.gz MLCYFCCJERYHRW-ZDUSSCGKSA-N 1 0 331.376 2.219 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448903999 467605042 /nfs/dbraw/zinc/60/50/42/467605042.db2.gz LRLACHOTNYTWMQ-UHFFFAOYSA-N 1 0 343.387 2.153 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448976208 467609444 /nfs/dbraw/zinc/60/94/44/467609444.db2.gz LPFUAMBJGGAHCQ-CYBMUJFWSA-N 1 0 335.404 2.404 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000449646422 467675323 /nfs/dbraw/zinc/67/53/23/467675323.db2.gz NUAVCXDHDNQACH-CHWSQXEVSA-N 1 0 343.387 2.028 20 5 EEBDRO CC(C)(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449724061 467700119 /nfs/dbraw/zinc/70/01/19/467700119.db2.gz GLUVOYPKVNLVOE-NSHDSACASA-N 1 0 333.310 2.268 20 5 EEBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)Cc1ccccc1 ZINC000450245163 467808501 /nfs/dbraw/zinc/80/85/01/467808501.db2.gz XDQMCUSNGGFHHU-INIZCTEOSA-N 1 0 343.431 3.058 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)CN1C ZINC000450542499 467866702 /nfs/dbraw/zinc/86/67/02/467866702.db2.gz UMJXZZJAHJTTOA-VXGBXAGGSA-N 1 0 343.387 2.150 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000531726242 468071831 /nfs/dbraw/zinc/07/18/31/468071831.db2.gz SKBNJXMZGGFXQP-CABCVRRESA-N 1 0 347.415 2.089 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752886 468102339 /nfs/dbraw/zinc/10/23/39/468102339.db2.gz YPCBXIFATSSGSG-TUAOUCFPSA-N 1 0 335.433 2.471 20 5 EEBDRO CCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000489045150 468117708 /nfs/dbraw/zinc/11/77/08/468117708.db2.gz QJJGWNFBSZMIKR-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)OC ZINC000533024219 468163122 /nfs/dbraw/zinc/16/31/22/468163122.db2.gz FINBJQINXVRQCS-UHFFFAOYSA-N 1 0 339.392 2.289 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490052432 468190274 /nfs/dbraw/zinc/19/02/74/468190274.db2.gz ZORCAYHCLQMNFN-SECBINFHSA-N 1 0 349.840 2.033 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000520109622 468230051 /nfs/dbraw/zinc/23/00/51/468230051.db2.gz RSMWIDUUHGUALL-UHFFFAOYSA-N 1 0 330.388 2.315 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3sccc3c2)c1 ZINC000578642626 468232149 /nfs/dbraw/zinc/23/21/49/468232149.db2.gz UVDLIDYPEOTZDS-AWEZNQCLSA-N 1 0 332.385 2.157 20 5 EEBDRO CCN1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219565 468235002 /nfs/dbraw/zinc/23/50/02/468235002.db2.gz HOCFXUVXSURJOL-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000594517348 468614354 /nfs/dbraw/zinc/61/43/54/468614354.db2.gz ASOYIOSGAXEAET-JTQLQIEISA-N 1 0 340.376 2.376 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000597717010 468649169 /nfs/dbraw/zinc/64/91/69/468649169.db2.gz VWDDJWHLCWHEIK-KRWDZBQOSA-N 1 0 343.387 2.029 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000597716240 468649451 /nfs/dbraw/zinc/64/94/51/468649451.db2.gz PXIQNNWGTAZUBV-SFHVURJKSA-N 1 0 346.431 2.341 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000594717943 468662442 /nfs/dbraw/zinc/66/24/42/468662442.db2.gz INLXBRDEMFHIDG-ZDUSSCGKSA-N 1 0 345.186 2.249 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253621 468665460 /nfs/dbraw/zinc/66/54/60/468665460.db2.gz KIYUOCMLJOHRCV-LSDHHAIUSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594800008 468690731 /nfs/dbraw/zinc/69/07/31/468690731.db2.gz AKFKVWMSXFYNQX-GFCCVEGCSA-N 1 0 341.433 2.054 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCOC(C)(C)C1 ZINC000595009174 468742611 /nfs/dbraw/zinc/74/26/11/468742611.db2.gz ASBIDVDYUUPFBJ-CYBMUJFWSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000595049435 468749327 /nfs/dbraw/zinc/74/93/27/468749327.db2.gz IWILFOBWQGRCEI-LBPRGKRZSA-N 1 0 343.383 2.482 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559640831 468750578 /nfs/dbraw/zinc/75/05/78/468750578.db2.gz SBDUJMGWPNLENU-CQSZACIVSA-N 1 0 326.356 2.078 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000571242555 468759185 /nfs/dbraw/zinc/75/91/85/468759185.db2.gz SZCLRXXMNYOBHT-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000598262504 468810192 /nfs/dbraw/zinc/81/01/92/468810192.db2.gz LQEBKHJNAMDVRF-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688596 468823879 /nfs/dbraw/zinc/82/38/79/468823879.db2.gz XESSEBNXMFPXPG-SMDDNHRTSA-N 1 0 339.392 2.191 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595390995 468836760 /nfs/dbraw/zinc/83/67/60/468836760.db2.gz AXSMFSBRTAPVKQ-UHFFFAOYSA-N 1 0 338.427 2.192 20 5 EEBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595462722 468862538 /nfs/dbraw/zinc/86/25/38/468862538.db2.gz WTMVIJLALBNXSE-OAHLLOKOSA-N 1 0 325.365 2.302 20 5 EEBDRO C[C@H](CO)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593081585 468863400 /nfs/dbraw/zinc/86/34/00/468863400.db2.gz FFVCZDDVZDXILA-CYBMUJFWSA-N 1 0 335.404 2.264 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000593110384 468874597 /nfs/dbraw/zinc/87/45/97/468874597.db2.gz WJVOHCLTEVGXLK-HNNXBMFYSA-N 1 0 349.406 2.467 20 5 EEBDRO Cn1ccnc1[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000561511258 468897210 /nfs/dbraw/zinc/89/72/10/468897210.db2.gz CJEYXQDPSQHKFW-AWEZNQCLSA-N 1 0 329.360 2.279 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598618942 468936121 /nfs/dbraw/zinc/93/61/21/468936121.db2.gz XQDUCNCINULADE-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000598622167 468936785 /nfs/dbraw/zinc/93/67/85/468936785.db2.gz MAIGCVBKFZDSQD-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000593319458 468937505 /nfs/dbraw/zinc/93/75/05/468937505.db2.gz JWIVEXXOSJDHPU-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000598668231 468951821 /nfs/dbraw/zinc/95/18/21/468951821.db2.gz QVPWWUVCRVVDOD-GTNSWQLSSA-N 1 0 326.356 2.096 20 5 EEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000598669707 468952447 /nfs/dbraw/zinc/95/24/47/468952447.db2.gz NLQFNNYTHVIDRJ-SUMWQHHRSA-N 1 0 332.404 2.127 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3(O)CCC3)CC2)cn1 ZINC000602695628 469016608 /nfs/dbraw/zinc/01/66/08/469016608.db2.gz BJQLWKZWSKOOKM-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595831211 469032353 /nfs/dbraw/zinc/03/23/53/469032353.db2.gz YVYZRGWDZGWXIO-CYBMUJFWSA-N 1 0 333.388 2.048 20 5 EEBDRO CCOC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000563000443 469129768 /nfs/dbraw/zinc/12/97/68/469129768.db2.gz MEDZCURFFUEAKI-HNNXBMFYSA-N 1 0 338.404 2.273 20 5 EEBDRO CCn1nccc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596095983 469152823 /nfs/dbraw/zinc/15/28/23/469152823.db2.gz SNRSVTYFXDLXHG-LBPRGKRZSA-N 1 0 331.376 2.318 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084782 469156583 /nfs/dbraw/zinc/15/65/83/469156583.db2.gz STFDQNVVVOPUFV-GFCCVEGCSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000611404326 469242382 /nfs/dbraw/zinc/24/23/82/469242382.db2.gz TVGOKVNYTXGUDJ-STQMWFEESA-N 1 0 326.418 2.379 20 5 EEBDRO CC1(C)CN(C(=O)C2CC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000611463181 469253907 /nfs/dbraw/zinc/25/39/07/469253907.db2.gz OKAZQMAWYHEGOB-UHFFFAOYSA-N 1 0 331.416 2.470 20 5 EEBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083252 469255624 /nfs/dbraw/zinc/25/56/24/469255624.db2.gz IWUBDFQVDIAYPM-UHFFFAOYSA-N 1 0 326.356 2.342 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602431020 469313162 /nfs/dbraw/zinc/31/31/62/469313162.db2.gz BBZMOGHKXJBKKX-SECBINFHSA-N 1 0 330.182 2.070 20 5 EEBDRO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602481961 469334366 /nfs/dbraw/zinc/33/43/66/469334366.db2.gz CJBODWAQJNFRHH-QGZVFWFLSA-N 1 0 329.400 2.229 20 5 EEBDRO O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602493335 469339524 /nfs/dbraw/zinc/33/95/24/469339524.db2.gz SWUXGUHZWOBURL-BBRMVZONSA-N 1 0 329.400 2.227 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOC3CCOCC3)nc2c1 ZINC000602552151 469358056 /nfs/dbraw/zinc/35/80/56/469358056.db2.gz UFAFZHOBVXBIAM-UHFFFAOYSA-N 1 0 335.360 2.411 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595971 469376963 /nfs/dbraw/zinc/37/69/63/469376963.db2.gz KPUCTDDMOGVADT-WCBMZHEXSA-N 1 0 329.809 2.288 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000613314889 469685711 /nfs/dbraw/zinc/68/57/11/469685711.db2.gz LDLHLOFCSRIYJE-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000600825462 485630039 /nfs/dbraw/zinc/63/00/39/485630039.db2.gz UZDHTMQGAAKCKO-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420397183 534298478 /nfs/dbraw/zinc/29/84/78/534298478.db2.gz FCMQNDSLFJQIBF-OCCSQVGLSA-N 1 0 340.383 2.312 20 5 EEBDRO Cc1nc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132971680 534487221 /nfs/dbraw/zinc/48/72/21/534487221.db2.gz NEGCHUROCYFOLP-JKSUJKDBSA-N 1 0 334.420 2.478 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cccn1C1CC[NH2+]CC1 ZINC000370778895 526432434 /nfs/dbraw/zinc/43/24/34/526432434.db2.gz IEKDPRDAPZRFBZ-UHFFFAOYSA-N 1 0 342.399 2.293 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176884546 528037046 /nfs/dbraw/zinc/03/70/46/528037046.db2.gz IMRAYOFRSZCNTL-GFCCVEGCSA-N 1 0 343.811 2.335 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236806706 534936942 /nfs/dbraw/zinc/93/69/42/534936942.db2.gz XMEKDJXZMSCYHH-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000738357172 578010473 /nfs/dbraw/zinc/01/04/73/578010473.db2.gz DYRVEEYGJCTANW-UHFFFAOYSA-N 1 0 349.314 2.099 20 5 EEBDRO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000729339859 576634575 /nfs/dbraw/zinc/63/45/75/576634575.db2.gz DELSAQJTMMRGHP-OAHLLOKOSA-N 1 0 346.387 2.401 20 5 EEBDRO Cc1noc(CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000772958977 577307791 /nfs/dbraw/zinc/30/77/91/577307791.db2.gz JOEQEAHIERMZIE-UHFFFAOYSA-N 1 0 345.403 2.477 20 5 EEBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271561 577456180 /nfs/dbraw/zinc/45/61/80/577456180.db2.gz LXXZBVUISYVYCI-OAHLLOKOSA-N 1 0 330.340 2.489 20 5 EEBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581049 577463088 /nfs/dbraw/zinc/46/30/88/577463088.db2.gz CZRPIZMVRCZLLY-WMLDXEAASA-N 1 0 349.431 2.112 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000776582530 577463198 /nfs/dbraw/zinc/46/31/98/577463198.db2.gz RPVGHJDJWZEKHZ-XQQFMLRXSA-N 1 0 334.294 2.016 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000776770150 577467600 /nfs/dbraw/zinc/46/76/00/577467600.db2.gz NLUHJUPEOISUQM-MRXNPFEDSA-N 1 0 345.403 2.496 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CC[N@H+](C)C1CC1 ZINC000770222198 577592609 /nfs/dbraw/zinc/59/26/09/577592609.db2.gz MLRDUKAUHGSHHL-UHFFFAOYSA-N 1 0 339.367 2.441 20 5 EEBDRO COc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)c1 ZINC000760492141 577663960 /nfs/dbraw/zinc/66/39/60/577663960.db2.gz HAWHUMNIDSIBPX-UHFFFAOYSA-N 1 0 343.387 2.470 20 5 EEBDRO CN(C)c1cc[nH+]c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000753014178 577780087 /nfs/dbraw/zinc/78/00/87/577780087.db2.gz YPMNJPLFEBMQJE-UHFFFAOYSA-N 1 0 340.343 2.044 20 5 EEBDRO Cc1nn(C[N@H+](C)CCC2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000757606877 577861116 /nfs/dbraw/zinc/86/11/16/577861116.db2.gz KUGNNEJBOKQVMI-UHFFFAOYSA-N 1 0 333.392 2.354 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000742425321 577872822 /nfs/dbraw/zinc/87/28/22/577872822.db2.gz CZMQVHYXTDTJDY-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000749799328 577982037 /nfs/dbraw/zinc/98/20/37/577982037.db2.gz LYGRWHNXXRHHRO-HUUCEWRRSA-N 1 0 343.387 2.169 20 5 EEBDRO Cc1nn(CN2CCC[C@H]2C[NH+]2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749957665 577984707 /nfs/dbraw/zinc/98/47/07/577984707.db2.gz ZYJYJZSVOPEIKU-AWEZNQCLSA-N 1 0 344.419 2.166 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000741243260 578115253 /nfs/dbraw/zinc/11/52/53/578115253.db2.gz ULJCGNQTWRAOEC-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821581853 606474316 /nfs/dbraw/zinc/47/43/16/606474316.db2.gz WFHDHMJNLGTKBL-QWRGUYRKSA-N 1 0 331.380 2.060 20 5 EEBDRO CC[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825147570 608552193 /nfs/dbraw/zinc/55/21/93/608552193.db2.gz JNCCECJQXZJIAI-CQSZACIVSA-N 1 0 339.359 2.411 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC[NH+](C)C)c1C ZINC000891190998 676151230 /nfs/dbraw/zinc/15/12/30/676151230.db2.gz GRYYBBGCHSPNBL-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cncs1 ZINC001021872790 676529632 /nfs/dbraw/zinc/52/96/32/676529632.db2.gz VIVALTUQEVKANM-AOOOYVTPSA-N 1 0 338.414 2.163 20 5 EEBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000891668394 676762952 /nfs/dbraw/zinc/76/29/52/676762952.db2.gz NFPAYDOMIFRBIW-LBPRGKRZSA-N 1 0 326.784 2.142 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000891907696 676899126 /nfs/dbraw/zinc/89/91/26/676899126.db2.gz SRWGVXOKUCJJND-ZDUSSCGKSA-N 1 0 342.399 2.496 20 5 EEBDRO CCc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022667042 678172549 /nfs/dbraw/zinc/17/25/49/678172549.db2.gz VISJAWHRALLGCU-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO CCc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC001022993348 678902784 /nfs/dbraw/zinc/90/27/84/678902784.db2.gz QLDMMRVVYJWXON-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO COc1c(O)ccc(CNC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000892623876 682000377 /nfs/dbraw/zinc/00/03/77/682000377.db2.gz RAPDOOBSDQETDQ-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO Cc1ocnc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983271420 682159033 /nfs/dbraw/zinc/15/90/33/682159033.db2.gz HWBCKDYWFCFNLE-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CNCCC[NH+]1CCC(O)CC1 ZINC000892669868 682207353 /nfs/dbraw/zinc/20/73/53/682207353.db2.gz LPCRQXSIVZNXSD-UHFFFAOYSA-N 1 0 327.812 2.185 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nccs1 ZINC000984951201 685574114 /nfs/dbraw/zinc/57/41/14/685574114.db2.gz LXNLSGZBFGPHFR-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1nnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000894772388 683077494 /nfs/dbraw/zinc/07/74/94/683077494.db2.gz KKKXQSFGGTXRID-NSHDSACASA-N 1 0 330.392 2.341 20 5 EEBDRO Cc1cnoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000984983833 685629492 /nfs/dbraw/zinc/62/94/92/685629492.db2.gz SNZHTMPIVNKKME-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985417224 686600204 /nfs/dbraw/zinc/60/02/04/686600204.db2.gz BMHBGFUZCOKCRZ-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO Cn1cccc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989959222 692539075 /nfs/dbraw/zinc/53/90/75/692539075.db2.gz IZJQIEUIGYOOFF-UHFFFAOYSA-N 1 0 348.428 2.389 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001168128312 1186924675 /nfs/dbraw/zinc/92/46/75/1186924675.db2.gz CPMUAUKWLCUWEF-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO O[C@H]1CC[NH2+][C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211940814 1187433810 /nfs/dbraw/zinc/43/38/10/1187433810.db2.gz OXYBKYTVTICCHC-BBRMVZONSA-N 1 0 333.351 2.228 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000872036687 1198032510 /nfs/dbraw/zinc/03/25/10/1198032510.db2.gz VFQSJPQCHZKGKE-OCCSQVGLSA-N 1 0 338.477 2.213 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000872051882 1198035056 /nfs/dbraw/zinc/03/50/56/1198035056.db2.gz OIWZEKBYMOIJGG-UWVGGRQHSA-N 1 0 332.447 2.400 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC([NH2+]CCO)CC1 ZINC000865647765 1198314559 /nfs/dbraw/zinc/31/45/59/1198314559.db2.gz JEXGRODYMMANBY-UHFFFAOYSA-N 1 0 334.203 2.452 20 5 EEBDRO CCOC(=O)Cc1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000825701692 1198724274 /nfs/dbraw/zinc/72/42/74/1198724274.db2.gz AHZMTOADUWFFRB-UHFFFAOYSA-N 1 0 349.431 2.478 20 5 EEBDRO CCOC(=O)Cc1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000825754268 1199080143 /nfs/dbraw/zinc/08/01/43/1199080143.db2.gz YWNJSYQCXBFACE-OAHLLOKOSA-N 1 0 349.431 2.478 20 5 EEBDRO O=C(CCC1CCOCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134725360 1199772826 /nfs/dbraw/zinc/77/28/26/1199772826.db2.gz CHLYQNUCGNZEBF-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343509 1199908343 /nfs/dbraw/zinc/90/83/43/1199908343.db2.gz ZPELVKCMHYJOEB-QGZVFWFLSA-N 1 0 339.395 2.358 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CCC1 ZINC001132801842 1200037742 /nfs/dbraw/zinc/03/77/42/1200037742.db2.gz JNPWUICZMPHCMU-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000870958448 1200977021 /nfs/dbraw/zinc/97/70/21/1200977021.db2.gz CYDITMFJLVLLLI-MFKMUULPSA-N 1 0 346.214 2.469 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880210113 1201422677 /nfs/dbraw/zinc/42/26/77/1201422677.db2.gz LVPGZWROEOACKE-INIZCTEOSA-N 1 0 349.431 2.207 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000881469199 1201704843 /nfs/dbraw/zinc/70/48/43/1201704843.db2.gz KVRWMCUCMIQQLT-INIZCTEOSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000885966812 1202460077 /nfs/dbraw/zinc/46/00/77/1202460077.db2.gz DTJKKEUETMNYFD-FMKPAKJESA-N 1 0 334.420 2.063 20 5 EEBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886147441 1202477394 /nfs/dbraw/zinc/47/73/94/1202477394.db2.gz SWBUFJUNHOINBH-GFCCVEGCSA-N 1 0 336.392 2.336 20 5 EEBDRO COc1cccc([C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000886308360 1202490739 /nfs/dbraw/zinc/49/07/39/1202490739.db2.gz ACUFHSSMDIZUBM-INIZCTEOSA-N 1 0 328.372 2.145 20 5 EEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000886600601 1202530974 /nfs/dbraw/zinc/53/09/74/1202530974.db2.gz YEZIUZWTRFYDII-AWEZNQCLSA-N 1 0 337.395 2.465 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889840395 1204723898 /nfs/dbraw/zinc/72/38/98/1204723898.db2.gz HYRJHSZWGFIWTR-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000929894699 1206514576 /nfs/dbraw/zinc/51/45/76/1206514576.db2.gz LYGAKRMWBWVJMK-UHFFFAOYSA-N 1 0 329.194 2.321 20 5 EEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000933249636 1207747818 /nfs/dbraw/zinc/74/78/18/1207747818.db2.gz SMLXWFNFWXVVFZ-AWEZNQCLSA-N 1 0 334.420 2.195 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC001020030566 1229449203 /nfs/dbraw/zinc/44/92/03/1229449203.db2.gz SJKFJGDXCXVCFH-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000801602031 1235896049 /nfs/dbraw/zinc/89/60/49/1235896049.db2.gz UABUQOVDDOWFNU-OAHLLOKOSA-N 1 0 334.372 2.305 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525094 1237861650 /nfs/dbraw/zinc/86/16/50/1237861650.db2.gz KSJKZLSAUOVRJS-YIDVYQOGSA-N 1 0 349.456 2.273 20 5 EEBDRO CC1(C)CC(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)C1 ZINC001048525241 1237863234 /nfs/dbraw/zinc/86/32/34/1237863234.db2.gz PRNVQRCLBGVLJR-GWZLXJJCSA-N 1 0 349.475 2.447 20 5 EEBDRO Cc1cc(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001056062266 1238661313 /nfs/dbraw/zinc/66/13/13/1238661313.db2.gz CRFRSJSHRRBTFH-UHFFFAOYSA-N 1 0 346.431 2.036 20 5 EEBDRO O=C(N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1)C1(CF)CC1 ZINC001049049148 1239853342 /nfs/dbraw/zinc/85/33/42/1239853342.db2.gz SYEWDGFCABGDCH-GASCZTMLSA-N 1 0 347.390 2.235 20 5 EEBDRO Cc1ccc(F)cc1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000668224 1240695119 /nfs/dbraw/zinc/69/51/19/1240695119.db2.gz CHPMFRBGXRLAOR-IAGOWNOFSA-N 1 0 347.390 2.048 20 5 EEBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccc(C)cc1[N+](=O)[O-] ZINC001101228480 1245544062 /nfs/dbraw/zinc/54/40/62/1245544062.db2.gz AZNAIJCUYBVCOZ-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001101917800 1246249092 /nfs/dbraw/zinc/24/90/92/1246249092.db2.gz ZFPXVFAOKWZHFP-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO Cc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000826927928 1248126839 /nfs/dbraw/zinc/12/68/39/1248126839.db2.gz BZRJHRIIXPDATQ-UHFFFAOYSA-N 1 0 337.424 2.232 20 5 EEBDRO CN(C(=O)C[NH+]1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001058056504 1248375131 /nfs/dbraw/zinc/37/51/31/1248375131.db2.gz YUHSHCBKKGCDKC-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000853129098 1292291065 /nfs/dbraw/zinc/29/10/65/1292291065.db2.gz LHXGGBGPDGQVQD-OALUTQOASA-N 1 0 341.411 2.492 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000861037906 1295228750 /nfs/dbraw/zinc/22/87/50/1295228750.db2.gz OMDCCSIUOHRNOV-YESZJQIVSA-N 1 0 348.399 2.352 20 5 EEBDRO O=C(N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2)C1(CF)CC1 ZINC001072969634 1296390488 /nfs/dbraw/zinc/39/04/88/1296390488.db2.gz IUEDQTSHWXACBC-UHFFFAOYSA-N 1 0 347.390 2.379 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](OCCC[N+](C)(C)C)CC(=O)C1 ZINC001224618305 1300670131 /nfs/dbraw/zinc/67/01/31/1300670131.db2.gz DUHHMZGQIICSKU-HNNXBMFYSA-N 1 0 329.461 2.068 20 5 EEBDRO CCOCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226493425 1301434542 /nfs/dbraw/zinc/43/45/42/1301434542.db2.gz CGMAEKWTKQBVBL-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227097270 1301686252 /nfs/dbraw/zinc/68/62/52/1301686252.db2.gz ZHDXRMJCTHOSDX-UMSPYCQHSA-N 1 0 332.360 2.495 20 5 EEBDRO COC(=O)c1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001228769857 1302430614 /nfs/dbraw/zinc/43/06/14/1302430614.db2.gz CJRKUYSZXCNWMJ-DRXBFXEBSA-N 1 0 334.372 2.491 20 5 EEBDRO CCOC(=O)c1c(O[C@H](C)C[N+](C)(C)C)c2ccccc2n(C)c1=O ZINC001229307387 1302719263 /nfs/dbraw/zinc/71/92/63/1302719263.db2.gz SLUFOSZPGCUPHQ-CYBMUJFWSA-N 1 0 347.435 2.189 20 5 EEBDRO CC1(C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000781960690 1303910117 /nfs/dbraw/zinc/91/01/17/1303910117.db2.gz MJVAKBXALOGLIQ-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000782208685 1303990263 /nfs/dbraw/zinc/99/02/63/1303990263.db2.gz WOSNIQNEQPIICZ-GFCCVEGCSA-N 1 0 338.433 2.374 20 5 EEBDRO O=C1NCC2(CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)N1 ZINC001232225627 1304044583 /nfs/dbraw/zinc/04/45/83/1304044583.db2.gz NXKNPANAFSKGRR-UHFFFAOYSA-N 1 0 347.422 2.430 20 5 EEBDRO CC(C)OCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234189215 1304790717 /nfs/dbraw/zinc/79/07/17/1304790717.db2.gz SAHKPRDGAPFJCN-UHFFFAOYSA-N 1 0 337.420 2.348 20 5 EEBDRO COc1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC001120479905 1309570934 /nfs/dbraw/zinc/57/09/34/1309570934.db2.gz DTDAHNCKWDDRPT-GOSISDBHSA-N 1 0 346.383 2.478 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001120610646 1309642461 /nfs/dbraw/zinc/64/24/61/1309642461.db2.gz IRDGCUOEZYFJGT-HNNXBMFYSA-N 1 0 335.404 2.340 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H]([NH3+])CC2)c1F ZINC001246540846 1310335853 /nfs/dbraw/zinc/33/58/53/1310335853.db2.gz KGEUZGPEHMMKOF-NWDGAFQWSA-N 1 0 325.384 2.487 20 5 EEBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001123835570 1310723200 /nfs/dbraw/zinc/72/32/00/1310723200.db2.gz BXGMDWONOYPCIG-BMFZPTHFSA-N 1 0 331.416 2.374 20 5 EEBDRO Cc1cc(Nc2ccc(C[NH3+])nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160406210 1320155680 /nfs/dbraw/zinc/15/56/80/1320155680.db2.gz SFQNMNFKVSVZKT-UHFFFAOYSA-N 1 0 336.355 2.379 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c21 ZINC001160741008 1320254787 /nfs/dbraw/zinc/25/47/87/1320254787.db2.gz BUMGNPSRHXRUIY-RKDXNWHRSA-N 1 0 341.293 2.490 20 5 EEBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)[NH3+] ZINC001162947734 1320993691 /nfs/dbraw/zinc/99/36/91/1320993691.db2.gz WYDLWLXPQSCKHI-SNVBAGLBSA-N 1 0 335.282 2.304 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000839776092 1315242666 /nfs/dbraw/zinc/24/26/66/1315242666.db2.gz JHOXFVGJKQGXCS-YQFWSFKMSA-N 1 0 329.400 2.108 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160643 1315492771 /nfs/dbraw/zinc/49/27/71/1315492771.db2.gz CZWNYSORWAVCBK-VIFPVBQESA-N 1 0 343.181 2.183 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841162645 1315493471 /nfs/dbraw/zinc/49/34/71/1315493471.db2.gz YUMRSBWNOUOTAD-MRVPVSSYSA-N 1 0 343.181 2.183 20 5 EEBDRO Cc1nc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1[C@H](C)O ZINC000843107578 1315843981 /nfs/dbraw/zinc/84/39/81/1315843981.db2.gz SGQWOYJWSCSORB-YVEFUNNKSA-N 1 0 331.372 2.175 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000843454058 1315917693 /nfs/dbraw/zinc/91/76/93/1315917693.db2.gz ILWPDWPUEDRMQL-WCFLWFBJSA-N 1 0 348.359 2.011 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000843472780 1315920222 /nfs/dbraw/zinc/92/02/22/1315920222.db2.gz BNVRNUZSHGTRMJ-LLVKDONJSA-N 1 0 336.348 2.012 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C2CC2)cn1 ZINC001149514138 1315980828 /nfs/dbraw/zinc/98/08/28/1315980828.db2.gz WCFRVIYUGGPLEH-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO Cc1ccccc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150541532 1316294546 /nfs/dbraw/zinc/29/45/46/1316294546.db2.gz DMVODLQFGUWNFY-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2(C3CC3)CC[NH2+]CC2)n1 ZINC001249149076 1317012420 /nfs/dbraw/zinc/01/24/20/1317012420.db2.gz ARRSZJHGBHGVHN-UHFFFAOYSA-N 1 0 333.323 2.210 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154847498 1317349090 /nfs/dbraw/zinc/34/90/90/1317349090.db2.gz MLGOCNALCVUQMB-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO C[C@@H]1CCCC[C@@H]1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155072661 1317442327 /nfs/dbraw/zinc/44/23/27/1317442327.db2.gz LZKCDAIHFZNYEY-CHWSQXEVSA-N 1 0 334.424 2.033 20 5 EEBDRO CN(C)/C=C/c1cc(NC[C@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155118951 1317464576 /nfs/dbraw/zinc/46/45/76/1317464576.db2.gz NKJLEQZOVPPSED-WHWKNOJMSA-N 1 0 337.399 2.416 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001155527651 1317638244 /nfs/dbraw/zinc/63/82/44/1317638244.db2.gz NLGUXQQQQYIGDP-XNRPHZJLSA-N 1 0 328.372 2.179 20 5 EEBDRO CC(=O)N1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254466228 1318081716 /nfs/dbraw/zinc/08/17/16/1318081716.db2.gz ZHRPUFNEVKURQK-INIZCTEOSA-N 1 0 346.431 2.164 20 5 EEBDRO CC(C)(O)[C@H](F)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472689 1318082178 /nfs/dbraw/zinc/08/21/78/1318082178.db2.gz JYGVJZNJPGKTNC-OAHLLOKOSA-N 1 0 325.384 2.262 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnc(OCC3CC3)n1)C2 ZINC001254587641 1318134903 /nfs/dbraw/zinc/13/49/03/1318134903.db2.gz RVDHIRFLQCLYGE-INIZCTEOSA-N 1 0 340.383 2.431 20 5 EEBDRO COc1cc(N2CCC([NH2+]C(C)(C)CCO)CC2)ccc1[N+](=O)[O-] ZINC001256087065 1318644423 /nfs/dbraw/zinc/64/44/23/1318644423.db2.gz OBTZBSHADWHNMX-UHFFFAOYSA-N 1 0 337.420 2.323 20 5 EEBDRO COc1cc(N2CCC([NH+]3CC(C4COC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256094202 1318645817 /nfs/dbraw/zinc/64/58/17/1318645817.db2.gz HOHUJGQBPKMDDP-UHFFFAOYSA-N 1 0 347.415 2.150 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)[C@@H]3CCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099524 1318646998 /nfs/dbraw/zinc/64/69/98/1318646998.db2.gz RCXGUMXAJDRGDW-MRXNPFEDSA-N 1 0 348.447 2.208 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101523 1318647851 /nfs/dbraw/zinc/64/78/51/1318647851.db2.gz MPJDOEVRJUUWOE-CQSZACIVSA-N 1 0 347.415 2.483 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157687945 1318797579 /nfs/dbraw/zinc/79/75/79/1318797579.db2.gz CMELWRGODSCGER-GHMZBOCLSA-N 1 0 325.800 2.125 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001157690758 1318799322 /nfs/dbraw/zinc/79/93/22/1318799322.db2.gz MVWVNNGKOTYLTA-BETUJISGSA-N 1 0 327.388 2.316 20 5 EEBDRO COc1cc2ncnc(N(CC[NH3+])c3cccnc3)c2cc1[N+](=O)[O-] ZINC001158001267 1318966646 /nfs/dbraw/zinc/96/66/46/1318966646.db2.gz YWPPGJHXFNEUOO-UHFFFAOYSA-N 1 0 340.343 2.038 20 5 EEBDRO COc1cccc(N(c2cc([N+](=O)[O-])ccn2)C2CC[NH2+]CC2)n1 ZINC001158053936 1318987257 /nfs/dbraw/zinc/98/72/57/1318987257.db2.gz FWBMCCVGEMPQNS-UHFFFAOYSA-N 1 0 329.360 2.284 20 5 EEBDRO Cc1cnccc1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001158111796 1319020390 /nfs/dbraw/zinc/02/03/90/1319020390.db2.gz TXBXWQMLUNOZNB-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001158314268 1319169009 /nfs/dbraw/zinc/16/90/09/1319169009.db2.gz BUDLOPZMIXAXCO-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258144903 1319188811 /nfs/dbraw/zinc/18/88/11/1319188811.db2.gz FOZRRVFQUSFCHV-RYUDHWBXSA-N 1 0 332.360 2.297 20 5 EEBDRO CCOC(=O)C1(Nc2cc(Cl)ncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158568996 1319312009 /nfs/dbraw/zinc/31/20/09/1319312009.db2.gz YCHPPRGJRMQQGQ-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1)[C@H]1CCOC1 ZINC001158731777 1319406631 /nfs/dbraw/zinc/40/66/31/1319406631.db2.gz YJHDWFJWOKRUFL-LBPRGKRZSA-N 1 0 328.372 2.052 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159025620 1319564289 /nfs/dbraw/zinc/56/42/89/1319564289.db2.gz XWFOUJIQUJUJLF-UHFFFAOYSA-N 1 0 333.779 2.381 20 5 EEBDRO CC(=O)c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001159912572 1320019679 /nfs/dbraw/zinc/01/96/79/1320019679.db2.gz YLTQGXPTJKECBZ-JTQLQIEISA-N 1 0 341.371 2.447 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC001163052162 1321024533 /nfs/dbraw/zinc/02/45/33/1321024533.db2.gz CSCZEGRZIDWGLB-LBPRGKRZSA-N 1 0 339.355 2.316 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2noc3c2C[NH2+]CC3)c(C(F)(F)F)c1 ZINC001163132216 1321046908 /nfs/dbraw/zinc/04/69/08/1321046908.db2.gz YVDPCCUHZKIILA-UHFFFAOYSA-N 1 0 343.265 2.254 20 5 EEBDRO COCC(C)(C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001163157358 1321054087 /nfs/dbraw/zinc/05/40/87/1321054087.db2.gz NNJALHARLUFOTQ-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163303695 1321091841 /nfs/dbraw/zinc/09/18/41/1321091841.db2.gz FAAPBNSKHWJTNO-SJKOYZFVSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163363100 1321105986 /nfs/dbraw/zinc/10/59/86/1321105986.db2.gz PMRJIIXSPQDIKA-SMDDNHRTSA-N 1 0 336.392 2.307 20 5 EEBDRO COCCCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163569319 1321159803 /nfs/dbraw/zinc/15/98/03/1321159803.db2.gz SJSZNRKWBCEABH-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc3cc(Br)cnc32)C1 ZINC001164281607 1321338170 /nfs/dbraw/zinc/33/81/70/1321338170.db2.gz ILNIXPNRGXMZFI-SNVBAGLBSA-N 1 0 337.177 2.443 20 5 EEBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C1 ZINC001165187353 1321468847 /nfs/dbraw/zinc/46/88/47/1321468847.db2.gz OJCGPXZVUMWONZ-LYASGUKUSA-N 1 0 333.436 2.441 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC3(CC([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001165243997 1321482293 /nfs/dbraw/zinc/48/22/93/1321482293.db2.gz RWSYENCEXPLZJD-UHFFFAOYSA-N 1 0 343.840 2.468 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001165420538 1321522058 /nfs/dbraw/zinc/52/20/58/1321522058.db2.gz KBUHBKOLXCNYNN-QAPCUYQASA-N 1 0 339.399 2.277 20 5 EEBDRO Cc1ccoc1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001166269102 1321689231 /nfs/dbraw/zinc/68/92/31/1321689231.db2.gz ABSKIIKLWLIPDC-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ncc([N+](=O)[O-])cc2C)C1 ZINC001166870477 1321805681 /nfs/dbraw/zinc/80/56/81/1321805681.db2.gz FIVASMLFKGAJAM-NSHDSACASA-N 1 0 347.444 2.487 20 5 EEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1c([N+](=O)[O-])cnn1C ZINC001262362411 1322288950 /nfs/dbraw/zinc/28/89/50/1322288950.db2.gz PTNBLYHUKKNLGC-UHFFFAOYSA-N 1 0 344.419 2.466 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001263133987 1322436783 /nfs/dbraw/zinc/43/67/83/1322436783.db2.gz IYOJDHYJYWILPZ-SECBINFHSA-N 1 0 329.809 2.073 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263201573 1322443204 /nfs/dbraw/zinc/44/32/04/1322443204.db2.gz IDTAILHYRSUZGJ-RDBSUJKOSA-N 1 0 346.431 2.406 20 5 EEBDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)nc2)CC1 ZINC001209932072 1325102419 /nfs/dbraw/zinc/10/24/19/1325102419.db2.gz JLNIYCQTYZWYKL-UHFFFAOYSA-N 1 0 328.376 2.067 20 5 EEBDRO COc1cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)ccc1[N+](=O)[O-] ZINC001320209543 1332848471 /nfs/dbraw/zinc/84/84/71/1332848471.db2.gz LGTXTLRKOQAFEA-GFCCVEGCSA-N 1 0 330.344 2.463 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329989681 1334755488 /nfs/dbraw/zinc/75/54/88/1334755488.db2.gz HXNJGPKIZUAUHM-HZPDHXFCSA-N 1 0 332.404 2.493 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001334139056 1336211085 /nfs/dbraw/zinc/21/10/85/1336211085.db2.gz CIIAZNCSVVLPJV-UHFFFAOYSA-N 1 0 343.431 2.473 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001339126028 1336963414 /nfs/dbraw/zinc/96/34/14/1336963414.db2.gz OVICXLXAUZCEOG-UHFFFAOYSA-N 1 0 337.339 2.448 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001576749082 1344055456 /nfs/dbraw/zinc/05/54/56/1344055456.db2.gz PMWVUEWDTAAXCO-KKFJDGPESA-N 1 0 343.330 2.313 20 5 EEBDRO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577646679 1344176328 /nfs/dbraw/zinc/17/63/28/1344176328.db2.gz XEDFGJQETLJMIV-UHFFFAOYSA-N 1 0 343.330 2.410 20 5 EEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968028 1344325120 /nfs/dbraw/zinc/32/51/20/1344325120.db2.gz CONRGIDLKZHJRW-UONOGXRCSA-N 1 0 343.391 2.060 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC001579877478 1344424421 /nfs/dbraw/zinc/42/44/21/1344424421.db2.gz PBZGCQQARKGWOQ-OAHLLOKOSA-N 1 0 349.822 2.400 20 5 EEBDRO Cn1c2ccccc2c(NC[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1=O ZINC001579947541 1344437790 /nfs/dbraw/zinc/43/77/90/1344437790.db2.gz JKTZHIHYLXJDPK-LBPRGKRZSA-N 1 0 330.388 2.248 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001580257889 1344501987 /nfs/dbraw/zinc/50/19/87/1344501987.db2.gz AHRIEFOKCNGHDJ-DTWKUNHWSA-N 1 0 329.303 2.053 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001580693560 1344551364 /nfs/dbraw/zinc/55/13/64/1344551364.db2.gz BDPTZOHLDCLMOY-XKQJLSEDSA-N 1 0 347.415 2.401 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1-c1nn[nH]n1 ZINC001593478022 1349811165 /nfs/dbraw/zinc/81/11/65/1349811165.db2.gz OUMCJHSTBYVYPP-ZFWWWQNUSA-N 1 0 343.391 2.204 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863548464 1369565812 /nfs/dbraw/zinc/56/58/12/1369565812.db2.gz RCZMRCVTPXJQDY-CQSZACIVSA-N 1 0 340.811 2.117 20 5 EEBDRO O=C(CC[NH2+]C1(CO)CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782516371 1371306409 /nfs/dbraw/zinc/30/64/09/1371306409.db2.gz GXTJFNGOVOAPMU-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000782530211 1371307817 /nfs/dbraw/zinc/30/78/17/1371307817.db2.gz IHEMWNYEJIWBDM-NWDGAFQWSA-N 1 0 339.367 2.467 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000837177476 1372772089 /nfs/dbraw/zinc/77/20/89/1372772089.db2.gz PVXQZPZJUPZXJJ-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839537570 1372909060 /nfs/dbraw/zinc/90/90/60/1372909060.db2.gz WJZKVJVPGBCBHM-IAOVAPTHSA-N 1 0 331.416 2.200 20 5 EEBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001356533759 1373201809 /nfs/dbraw/zinc/20/18/09/1373201809.db2.gz UBVHRMPEQNOBSF-MRXNPFEDSA-N 1 0 344.367 2.327 20 5 EEBDRO CCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CCC1 ZINC001752753661 1406374865 /nfs/dbraw/zinc/37/48/65/1406374865.db2.gz RNKQDIXICJXQRQ-BETUJISGSA-N 1 0 349.435 2.036 20 5 EEBDRO [NH3+]CC1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001580244832 1403853366 /nfs/dbraw/zinc/85/33/66/1403853366.db2.gz CRRFDDXKUJYGDG-UHFFFAOYSA-N 1 0 327.331 2.464 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001580821912 1403870772 /nfs/dbraw/zinc/87/07/72/1403870772.db2.gz HIOXXGGMEDLJHD-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO COc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001167086142 757229071 /nfs/dbraw/zinc/22/90/71/757229071.db2.gz VNROURVPAGTHCV-UHFFFAOYSA-N 1 0 343.318 2.122 20 5 EEBDRO [NH3+]Cc1cnc2c(ccn2-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c1 ZINC001167305206 757855562 /nfs/dbraw/zinc/85/55/62/757855562.db2.gz SMPXXGKDSUNPGN-UHFFFAOYSA-N 1 0 338.302 2.475 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626558 760765948 /nfs/dbraw/zinc/76/59/48/760765948.db2.gz MUYJRCLISLMLIP-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)Cn1nccc1[N+](=O)[O-] ZINC000173512785 765573270 /nfs/dbraw/zinc/57/32/70/765573270.db2.gz HWJSGWKMCLLNLC-UHFFFAOYSA-N 1 0 344.419 2.382 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000920459339 770713316 /nfs/dbraw/zinc/71/33/16/770713316.db2.gz UQOODAHDGFZNNU-NSHDSACASA-N 1 0 331.376 2.075 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000178589577 779573421 /nfs/dbraw/zinc/57/34/21/779573421.db2.gz XDTUTVIZXLPAGJ-JTQLQIEISA-N 1 0 332.385 2.139 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261688459 780101304 /nfs/dbraw/zinc/10/13/04/780101304.db2.gz ARQSCAKVWZBMRI-HNNXBMFYSA-N 1 0 327.331 2.382 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001091456492 790887775 /nfs/dbraw/zinc/88/77/75/790887775.db2.gz ABCGOSPNPWDNTI-SHTZXODSSA-N 1 0 346.431 2.306 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000817020660 784442686 /nfs/dbraw/zinc/44/26/86/784442686.db2.gz DBQPFAMQGPMVKK-ZDUSSCGKSA-N 1 0 346.431 2.432 20 5 EEBDRO O=C(CC1CCCCC1)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818992946 785355933 /nfs/dbraw/zinc/35/59/33/785355933.db2.gz UWVHQJRHQMQMHO-KRWDZBQOSA-N 1 0 349.431 2.304 20 5 EEBDRO CC(C)(C)SCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819009986 785362028 /nfs/dbraw/zinc/36/20/28/785362028.db2.gz XLAMSLJJGMCXHA-UHFFFAOYSA-N 1 0 346.474 2.490 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000818975037 785369378 /nfs/dbraw/zinc/36/93/78/785369378.db2.gz JSINOVIMKYPHMH-GOSISDBHSA-N 1 0 327.384 2.234 20 5 EEBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000819045394 785374140 /nfs/dbraw/zinc/37/41/40/785374140.db2.gz AWOGIKIESPPIJZ-DLBZAZTESA-N 1 0 341.367 2.023 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819045448 785374568 /nfs/dbraw/zinc/37/45/68/785374568.db2.gz CJKJMVAABRSZMA-INIZCTEOSA-N 1 0 347.327 2.205 20 5 EEBDRO COc1ccc2c(c1)OC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819201829 785458996 /nfs/dbraw/zinc/45/89/96/785458996.db2.gz WJXUHVREMZIWRV-RHSMWYFYSA-N 1 0 344.367 2.230 20 5 EEBDRO CC(C)(CCC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)[N+](=O)[O-] ZINC000828012095 785512590 /nfs/dbraw/zinc/51/25/90/785512590.db2.gz GYUNEQOKNWTEQT-UHFFFAOYSA-N 1 0 349.431 2.417 20 5 EEBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000819932066 785699584 /nfs/dbraw/zinc/69/95/84/785699584.db2.gz ZWPGRJXFKYBQKT-UHFFFAOYSA-N 1 0 340.380 2.082 20 5 EEBDRO COc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C ZINC000820669964 786012014 /nfs/dbraw/zinc/01/20/14/786012014.db2.gz FOEDSVLWNWKPQO-AWEZNQCLSA-N 1 0 335.404 2.070 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000820890802 786516385 /nfs/dbraw/zinc/51/63/85/786516385.db2.gz BFUKQDLQPREZRR-UHFFFAOYSA-N 1 0 349.431 2.177 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001107471778 787333899 /nfs/dbraw/zinc/33/38/99/787333899.db2.gz WTOASQZDKRGPJK-SNAWJCMRSA-N 1 0 346.431 2.329 20 5 EEBDRO C[NH+](C)CCCC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107475014 787348704 /nfs/dbraw/zinc/34/87/04/787348704.db2.gz DUKSVAQYYTZTMQ-ONEGZZNKSA-N 1 0 338.383 2.160 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000823088899 787561157 /nfs/dbraw/zinc/56/11/57/787561157.db2.gz OSMBTINFVNGVHC-CHWSQXEVSA-N 1 0 332.360 2.433 20 5 EEBDRO CC(C)(CCc1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1)[N+](=O)[O-] ZINC000823234297 787613379 /nfs/dbraw/zinc/61/33/79/787613379.db2.gz IJNCFVGCCVIWOD-UHFFFAOYSA-N 1 0 330.388 2.413 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000911906862 787818906 /nfs/dbraw/zinc/81/89/06/787818906.db2.gz LIEJNJNJKVPNEL-XNRPHZJLSA-N 1 0 333.388 2.389 20 5 EEBDRO C[NH+](C)CCCOC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912591691 788251849 /nfs/dbraw/zinc/25/18/49/788251849.db2.gz HNAVSMROTXHAEE-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000845482010 789825552 /nfs/dbraw/zinc/82/55/52/789825552.db2.gz DRLSUFYYJDEMQO-WFASDCNBSA-N 1 0 343.786 2.423 20 5 EEBDRO COCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147112296 791709248 /nfs/dbraw/zinc/70/92/48/791709248.db2.gz WNPHCQUBWPGCJM-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO CC(C)C(=O)N1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000151927203 794302017 /nfs/dbraw/zinc/30/20/17/794302017.db2.gz AUJMHGMIDPIOLE-UHFFFAOYSA-N 1 0 345.403 2.092 20 5 EEBDRO O=c1cc(-c2nc(C3CC[NH2+]CC3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000843139392 795905121 /nfs/dbraw/zinc/90/51/21/795905121.db2.gz UYXDLJJKCCGCNT-UHFFFAOYSA-N 1 0 341.327 2.366 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001094853174 796803686 /nfs/dbraw/zinc/80/36/86/796803686.db2.gz FWVQMSAKWOWKTD-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NCCCNc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC001094893362 796948971 /nfs/dbraw/zinc/94/89/71/796948971.db2.gz HZWJPEIBVZXDJW-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900453 797129143 /nfs/dbraw/zinc/12/91/43/797129143.db2.gz DZRRUQJZQOVUMY-UAGQMJEPSA-N 1 0 348.399 2.010 20 5 EEBDRO COCCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903065 797130367 /nfs/dbraw/zinc/13/03/67/797130367.db2.gz DROLKHQDFFOJKC-QGZVFWFLSA-N 1 0 333.432 2.106 20 5 EEBDRO C[NH+](C)C[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172904582 797131296 /nfs/dbraw/zinc/13/12/96/797131296.db2.gz OPWNDWFDSQWISY-WMZOPIPTSA-N 1 0 333.432 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](CO)C2)c1F ZINC001173184879 797280436 /nfs/dbraw/zinc/28/04/36/797280436.db2.gz PDPSARMMPRFQSE-RYUDHWBXSA-N 1 0 326.368 2.378 20 5 EEBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190428 797281705 /nfs/dbraw/zinc/28/17/05/797281705.db2.gz XZDKXMQXXUZCJW-MXWKQRLJSA-N 1 0 340.351 2.215 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001173218617 797299233 /nfs/dbraw/zinc/29/92/33/797299233.db2.gz RBJPXZAZBHYYOU-CYBMUJFWSA-N 1 0 343.383 2.488 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095269978 797667544 /nfs/dbraw/zinc/66/75/44/797667544.db2.gz TZOAIAXNOIGXRJ-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001002783668 798605429 /nfs/dbraw/zinc/60/54/29/798605429.db2.gz FASSUTSTSFOFOM-HUUCEWRRSA-N 1 0 337.445 2.111 20 5 EEBDRO CC(C)OCCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177392548 798917871 /nfs/dbraw/zinc/91/78/71/798917871.db2.gz DSSRCYIXAOIQAV-UHFFFAOYSA-N 1 0 337.420 2.396 20 5 EEBDRO O=C(Cc1ccc[nH]1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004189156 801222528 /nfs/dbraw/zinc/22/25/28/801222528.db2.gz QKGVOQHKJVWODN-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO Cn1c2cc(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000786803518 806903605 /nfs/dbraw/zinc/90/36/05/806903605.db2.gz HGQTXDHHUNNNAX-VXGBXAGGSA-N 1 0 347.419 2.070 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncs1 ZINC001086037954 801991102 /nfs/dbraw/zinc/99/11/02/801991102.db2.gz ANVKZRVXURWGDJ-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsn1 ZINC001086397202 802892044 /nfs/dbraw/zinc/89/20/44/802892044.db2.gz DWOZQQWSPFDJGC-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1ncn(-c2nc(Cl)ccc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168787549 803331916 /nfs/dbraw/zinc/33/19/16/803331916.db2.gz HGYAOVZVXMEWSR-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964639 803552022 /nfs/dbraw/zinc/55/20/22/803552022.db2.gz UTQNYFCUTFSYHH-MELADBBJSA-N 1 0 327.425 2.278 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964194 803552223 /nfs/dbraw/zinc/55/22/23/803552223.db2.gz RTTKWOHKWQGIAU-CRWXNKLISA-N 1 0 327.425 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007975 803568854 /nfs/dbraw/zinc/56/88/54/803568854.db2.gz QDLWAKOPDMDYJL-CAEXGNQWSA-N 1 0 339.436 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007976 803568907 /nfs/dbraw/zinc/56/89/07/803568907.db2.gz QDLWAKOPDMDYJL-QKGCVVFFSA-N 1 0 339.436 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013413 803571479 /nfs/dbraw/zinc/57/14/79/803571479.db2.gz UXDRSNVOWFRAEC-ZIAGYGMSSA-N 1 0 339.436 2.375 20 5 EEBDRO COc1ccc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169052457 803595709 /nfs/dbraw/zinc/59/57/09/803595709.db2.gz GBTXOJUJXFYPNI-KBPBESRZSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1ccc(OC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169052458 803595914 /nfs/dbraw/zinc/59/59/14/803595914.db2.gz GBTXOJUJXFYPNI-KGLIPLIRSA-N 1 0 335.404 2.379 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169057879 803598371 /nfs/dbraw/zinc/59/83/71/803598371.db2.gz YNQKHLSZLPKPLN-PQEBFOHHSA-N 1 0 332.400 2.320 20 5 EEBDRO CC(=O)Nc1ccc(N2CCCc3ccc(C[NH3+])nc32)cc1[N+](=O)[O-] ZINC001169591518 803864366 /nfs/dbraw/zinc/86/43/66/803864366.db2.gz ZUQWHVMLOCFWBQ-UHFFFAOYSA-N 1 0 341.371 2.491 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001156411666 804247513 /nfs/dbraw/zinc/24/75/13/804247513.db2.gz MJMQKCVMVOLZDF-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109452456 805488005 /nfs/dbraw/zinc/48/80/05/805488005.db2.gz OHMFUZKHAIYJJN-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109496231 805551390 /nfs/dbraw/zinc/55/13/90/805551390.db2.gz JVTJVDNBJOZMBR-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn3cccnc3n2)c([N+](=O)[O-])c1 ZINC001170298577 809870296 /nfs/dbraw/zinc/87/02/96/809870296.db2.gz MPCGOTMVWKLVLA-GFCCVEGCSA-N 1 0 341.371 2.367 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC001170335658 809899026 /nfs/dbraw/zinc/89/90/26/809899026.db2.gz PYCSCNVVYZRCPP-ZDUSSCGKSA-N 1 0 336.388 2.373 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345373 809916334 /nfs/dbraw/zinc/91/63/34/809916334.db2.gz JNKJJYLHORVVIM-DZGCQCFKSA-N 1 0 349.431 2.335 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175087000 231382286 /nfs/dbraw/zinc/38/22/86/231382286.db2.gz ZJLQIWBUVKUPQJ-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000066176098 215019491 /nfs/dbraw/zinc/01/94/91/215019491.db2.gz KZQOAAMWVVEYCB-CYBMUJFWSA-N 1 0 337.424 2.036 20 5 EEBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870069 234015263 /nfs/dbraw/zinc/01/52/63/234015263.db2.gz WSLSPZKPBDRCIC-GXTWGEPZSA-N 1 0 330.388 2.198 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCC(C)CC1 ZINC000181071153 234078366 /nfs/dbraw/zinc/07/83/66/234078366.db2.gz CCCUSJFVZMBEQY-LBPRGKRZSA-N 1 0 349.387 2.174 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183345435 235020580 /nfs/dbraw/zinc/02/05/80/235020580.db2.gz JDDAUOWPNASBTP-QWRGUYRKSA-N 1 0 331.376 2.315 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000189266238 283223861 /nfs/dbraw/zinc/22/38/61/283223861.db2.gz VZBMQPGYYMGDTR-UHFFFAOYSA-N 1 0 326.372 2.120 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CCO)o2)cc1 ZINC000072951508 216331414 /nfs/dbraw/zinc/33/14/14/216331414.db2.gz XONAWRCMIRZLTI-ZDUSSCGKSA-N 1 0 332.360 2.382 20 5 EEBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421857455 240034700 /nfs/dbraw/zinc/03/47/00/240034700.db2.gz OPMKEQRLYVYSMS-AJNGGQMLSA-N 1 0 349.435 2.156 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000229582902 242181831 /nfs/dbraw/zinc/18/18/31/242181831.db2.gz RILDTGRCCQCXHU-PRHODGIISA-N 1 0 342.193 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000229817948 242203699 /nfs/dbraw/zinc/20/36/99/242203699.db2.gz RUVCBHJIHXYGSJ-NVXWUHKLSA-N 1 0 342.399 2.285 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000447587565 242290602 /nfs/dbraw/zinc/29/06/02/242290602.db2.gz QREWEHYLPVGPDR-UONOGXRCSA-N 1 0 330.392 2.206 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000450556195 242849506 /nfs/dbraw/zinc/84/95/06/242849506.db2.gz UUZHEMUHYMEZQQ-DOMZBBRYSA-N 1 0 333.388 2.157 20 5 EEBDRO O=C(CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451697808 243211525 /nfs/dbraw/zinc/21/15/25/243211525.db2.gz RPIMXIUXRUXHQJ-HZSPNIEDSA-N 1 0 333.388 2.016 20 5 EEBDRO O=C(CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451611402 243176857 /nfs/dbraw/zinc/17/68/57/243176857.db2.gz PHIJYIIBEXBXMC-KDOFPFPSSA-N 1 0 347.415 2.310 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000262591192 245049790 /nfs/dbraw/zinc/04/97/90/245049790.db2.gz SSTYXKSFRBENGK-UHFFFAOYSA-N 1 0 347.415 2.354 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000492311168 246394738 /nfs/dbraw/zinc/39/47/38/246394738.db2.gz HHEUAVJOCOHVOO-MHKRFPNSSA-N 1 0 335.429 2.112 20 5 EEBDRO Cc1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C)c([N+](=O)[O-])c1 ZINC000266201456 248167962 /nfs/dbraw/zinc/16/79/62/248167962.db2.gz JQMAAEGGJLZXSC-UHFFFAOYSA-N 1 0 334.405 2.045 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266544529 248353322 /nfs/dbraw/zinc/35/33/22/248353322.db2.gz RMZXMHJCBITWRU-HNNXBMFYSA-N 1 0 348.447 2.142 20 5 EEBDRO C[NH2+]CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434311 218226449 /nfs/dbraw/zinc/22/64/49/218226449.db2.gz JEARZSCWDXWHJF-UHFFFAOYSA-N 1 0 329.198 2.188 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000094149739 218267184 /nfs/dbraw/zinc/26/71/84/218267184.db2.gz JBBVWBZHEUDMBT-UHFFFAOYSA-N 1 0 349.431 2.361 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268096570 256112170 /nfs/dbraw/zinc/11/21/70/256112170.db2.gz MHICBFWHZAEIOL-SNVBAGLBSA-N 1 0 328.800 2.388 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843533 221194643 /nfs/dbraw/zinc/19/46/43/221194643.db2.gz ZNXPUFAKZUAEHT-UONOGXRCSA-N 1 0 334.420 2.195 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270532743 256145363 /nfs/dbraw/zinc/14/53/63/256145363.db2.gz VQANDKJFEVIVOQ-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273038936 256259348 /nfs/dbraw/zinc/25/93/48/256259348.db2.gz VXOOXRDRHQTGTJ-CYBMUJFWSA-N 1 0 333.388 2.130 20 5 EEBDRO Cc1c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273066690 256262139 /nfs/dbraw/zinc/26/21/39/256262139.db2.gz YYXPFJBXNMDFHU-NSHDSACASA-N 1 0 348.359 2.192 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000119834791 142379327 /nfs/dbraw/zinc/37/93/27/142379327.db2.gz MBUNQVKXCNFCRW-CQSZACIVSA-N 1 0 349.435 2.103 20 5 EEBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559565 292219360 /nfs/dbraw/zinc/21/93/60/292219360.db2.gz FPHGMLAWTUURQA-HUUCEWRRSA-N 1 0 337.420 2.282 20 5 EEBDRO COc1ccc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090511292 286367753 /nfs/dbraw/zinc/36/77/53/286367753.db2.gz OIYWFYOVRZPNPA-ZDUSSCGKSA-N 1 0 331.372 2.458 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000249155419 160375712 /nfs/dbraw/zinc/37/57/12/160375712.db2.gz YOXIPKCQGZQWOF-IUODEOHRSA-N 1 0 349.387 2.054 20 5 EEBDRO COCC1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261643811 160405090 /nfs/dbraw/zinc/40/50/90/160405090.db2.gz ITFRALRDUPIZJJ-UHFFFAOYSA-N 1 0 348.325 2.437 20 5 EEBDRO CC(C)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015396 159191314 /nfs/dbraw/zinc/19/13/14/159191314.db2.gz PVDKQXYOWFCHMA-ZDUSSCGKSA-N 1 0 343.449 2.287 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158538837 159707442 /nfs/dbraw/zinc/70/74/42/159707442.db2.gz DHAWIIKFLODWPL-IUODEOHRSA-N 1 0 343.387 2.028 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195343554 160211326 /nfs/dbraw/zinc/21/13/26/160211326.db2.gz VITQIAQLGYTPDV-TXEJJXNPSA-N 1 0 325.413 2.031 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248442715 160346078 /nfs/dbraw/zinc/34/60/78/160346078.db2.gz FGANQTISTCPMGQ-CHWSQXEVSA-N 1 0 326.418 2.162 20 5 EEBDRO COc1cc(C[NH2+]C[C@@](C)(CO)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000342222232 161048858 /nfs/dbraw/zinc/04/88/58/161048858.db2.gz HPMXYWCUKPWUDG-SFHVURJKSA-N 1 0 346.383 2.349 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343427232 161134974 /nfs/dbraw/zinc/13/49/74/161134974.db2.gz DWIFRNMKKVXNNQ-ONGXEEELSA-N 1 0 343.330 2.409 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344843249 161250359 /nfs/dbraw/zinc/25/03/59/161250359.db2.gz FPBUROOYQPKKBB-LLBKUYECSA-N 1 0 326.418 2.411 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000344902810 161254735 /nfs/dbraw/zinc/25/47/35/161254735.db2.gz TUNGRICOOXWUDP-CQSZACIVSA-N 1 0 336.388 2.421 20 5 EEBDRO Cc1cc(NCCN2CC[NH+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345077578 161269453 /nfs/dbraw/zinc/26/94/53/161269453.db2.gz VCAPJWMYBIHADW-UHFFFAOYSA-N 1 0 329.404 2.111 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000345829509 161335585 /nfs/dbraw/zinc/33/55/85/161335585.db2.gz YRRRZMRVDCHZQT-JTQLQIEISA-N 1 0 333.344 2.217 20 5 EEBDRO CCC(CC)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348934407 161501038 /nfs/dbraw/zinc/50/10/38/161501038.db2.gz MSTDPHSJCMFIEG-UHFFFAOYSA-N 1 0 343.449 2.200 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360666 162103844 /nfs/dbraw/zinc/10/38/44/162103844.db2.gz NXBOJXVHXJHSMV-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352675832 162240078 /nfs/dbraw/zinc/24/00/78/162240078.db2.gz FYCDWXLJGNRCLS-CPTIBSQESA-N 1 0 328.372 2.326 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000352915378 162345019 /nfs/dbraw/zinc/34/50/19/162345019.db2.gz OOTLNHMTOFGYOQ-WMLDXEAASA-N 1 0 348.447 2.456 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356256837 163382556 /nfs/dbraw/zinc/38/25/56/163382556.db2.gz TZBBLNDMVNPDQQ-IAQYHMDHSA-N 1 0 344.371 2.117 20 5 EEBDRO Cn1c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000359781667 164170432 /nfs/dbraw/zinc/17/04/32/164170432.db2.gz ABYQRLKWEJVHLD-ZDUSSCGKSA-N 1 0 334.351 2.105 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000374853905 167052340 /nfs/dbraw/zinc/05/23/40/167052340.db2.gz HAZMPUVUWDNCGB-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376575665 167353874 /nfs/dbraw/zinc/35/38/74/167353874.db2.gz WDZDGUIIKRGTCE-JKSUJKDBSA-N 1 0 346.431 2.406 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1O ZINC000277466167 269158032 /nfs/dbraw/zinc/15/80/32/269158032.db2.gz JGQSPHRADBLPOJ-AWEZNQCLSA-N 1 0 335.404 2.416 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000278303595 269222474 /nfs/dbraw/zinc/22/24/74/269222474.db2.gz SFOMADSYILTHHP-KGLIPLIRSA-N 1 0 346.431 2.455 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279557394 269288446 /nfs/dbraw/zinc/28/84/46/269288446.db2.gz JXGIYELRXCTYKL-UHFFFAOYSA-N 1 0 343.786 2.484 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272614364 274177650 /nfs/dbraw/zinc/17/76/50/274177650.db2.gz XEYFPJRCKWACQN-NSHDSACASA-N 1 0 339.342 2.287 20 5 EEBDRO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548024 274220110 /nfs/dbraw/zinc/22/01/10/274220110.db2.gz LZTKYEONPSBXAL-RDJZCZTQSA-N 1 0 333.432 2.495 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000275775162 274265426 /nfs/dbraw/zinc/26/54/26/274265426.db2.gz HQGGFKINHZYEMZ-GDBMZVCRSA-N 1 0 326.368 2.390 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000130485051 274511741 /nfs/dbraw/zinc/51/17/41/274511741.db2.gz LZFWJOGPHVBHDM-QWRGUYRKSA-N 1 0 325.340 2.077 20 5 EEBDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422885303 274951950 /nfs/dbraw/zinc/95/19/50/274951950.db2.gz UDAIJMFMWHOQTE-SNVBAGLBSA-N 1 0 329.809 2.290 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246977342 275029876 /nfs/dbraw/zinc/02/98/76/275029876.db2.gz XZTVTCMKPROHCH-XKQJLSEDSA-N 1 0 345.399 2.201 20 5 EEBDRO CCc1nn(C)c(NC[C@](C)([NH3+])Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000289015413 275095560 /nfs/dbraw/zinc/09/55/60/275095560.db2.gz XPVOBGIONIQNQD-QGZVFWFLSA-N 1 0 347.419 2.271 20 5 EEBDRO CO[C@H]1COC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289814686 275151367 /nfs/dbraw/zinc/15/13/67/275151367.db2.gz NHQYJADQGYNJBB-KBPBESRZSA-N 1 0 335.385 2.222 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292223337 275396803 /nfs/dbraw/zinc/39/68/03/275396803.db2.gz BXDPYXXEJIXKNN-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000179117547 281838404 /nfs/dbraw/zinc/83/84/04/281838404.db2.gz WOXLVBFZEPBGKM-OAHLLOKOSA-N 1 0 346.431 2.265 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000287467274 293061604 /nfs/dbraw/zinc/06/16/04/293061604.db2.gz ROMDSAGHZPLFDT-JTQLQIEISA-N 1 0 329.784 2.280 20 5 EEBDRO Cn1cc(C[N@@H+]2CCC[C@H](O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294162997 293385975 /nfs/dbraw/zinc/38/59/75/293385975.db2.gz WBFWFGPMSSKDDQ-INIZCTEOSA-N 1 0 330.388 2.342 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000294408118 293446572 /nfs/dbraw/zinc/44/65/72/293446572.db2.gz IWRIYDXWZBOHQR-UHFFFAOYSA-N 1 0 333.388 2.160 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000297213875 294182753 /nfs/dbraw/zinc/18/27/53/294182753.db2.gz NPKHZWBJNLRVOP-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000297800674 294345122 /nfs/dbraw/zinc/34/51/22/294345122.db2.gz OOVAVDKXXIEEHI-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000261810533 301428863 /nfs/dbraw/zinc/42/88/63/301428863.db2.gz VRDMTZKZKOECMM-JSGCOSHPSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1C ZINC000320643987 301429556 /nfs/dbraw/zinc/42/95/56/301429556.db2.gz IDSMOQXWUKFOQO-NSHDSACASA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187190437 302735423 /nfs/dbraw/zinc/73/54/23/302735423.db2.gz CLKHLCUTCRTZCL-BXUZGUMPSA-N 1 0 345.403 2.058 20 5 EEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261743981 303009896 /nfs/dbraw/zinc/00/98/96/303009896.db2.gz LAJFQFIOKKRUDN-CQSZACIVSA-N 1 0 335.795 2.128 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000493635212 447357275 /nfs/dbraw/zinc/35/72/75/447357275.db2.gz VACSCKZZSKLUHH-QDOCKXBDSA-N 1 0 345.334 2.117 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000332232788 311973877 /nfs/dbraw/zinc/97/38/77/311973877.db2.gz MRNOLBXRZBIRRO-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO CCOc1cc(NC(=O)NC[C@@H]([NH3+])CC)c([N+](=O)[O-])cc1OCC ZINC000414763818 313080558 /nfs/dbraw/zinc/08/05/58/313080558.db2.gz YCHLNTYFJVRXKL-JTQLQIEISA-N 1 0 340.380 2.251 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414952419 313114253 /nfs/dbraw/zinc/11/42/53/313114253.db2.gz QRUVETUFAWAYJD-SECBINFHSA-N 1 0 344.318 2.269 20 5 EEBDRO [NH3+]CCCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415702806 313169315 /nfs/dbraw/zinc/16/93/15/313169315.db2.gz PVXZXPDDWSZQER-UHFFFAOYSA-N 1 0 331.170 2.218 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417764528 313589380 /nfs/dbraw/zinc/58/93/80/313589380.db2.gz MJWRSAXBSJGMCS-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000418603482 313857991 /nfs/dbraw/zinc/85/79/91/313857991.db2.gz NXJCGDZKDUQKCN-JSGCOSHPSA-N 1 0 332.404 2.409 20 5 EEBDRO COc1cc(CN2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430652010 314565854 /nfs/dbraw/zinc/56/58/54/314565854.db2.gz WOZXHYLNNKLAJR-UHFFFAOYSA-N 1 0 331.319 2.128 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440077436 315110669 /nfs/dbraw/zinc/11/06/69/315110669.db2.gz MCYRLXMRWBEILK-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448878514 315396275 /nfs/dbraw/zinc/39/62/75/315396275.db2.gz RFSROERMNAUJRE-GFCCVEGCSA-N 1 0 345.403 2.445 20 5 EEBDRO Cc1cccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000514933581 316441158 /nfs/dbraw/zinc/44/11/58/316441158.db2.gz TWORMBAQBMXANY-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000543840283 318175630 /nfs/dbraw/zinc/17/56/30/318175630.db2.gz RRBAJVFGHSVBNY-AWEZNQCLSA-N 1 0 335.404 2.373 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000548086011 318353235 /nfs/dbraw/zinc/35/32/35/318353235.db2.gz IIHMLEPPLPKDFR-OAHLLOKOSA-N 1 0 343.387 2.193 20 5 EEBDRO COc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000551806776 318471328 /nfs/dbraw/zinc/47/13/28/318471328.db2.gz SSUVIJNJKDRELG-CQSZACIVSA-N 1 0 332.356 2.133 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907180 318817507 /nfs/dbraw/zinc/81/75/07/318817507.db2.gz DOPNXJDMUINTDW-STQMWFEESA-N 1 0 345.403 2.307 20 5 EEBDRO CC[NH2+]CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000561204058 318831910 /nfs/dbraw/zinc/83/19/10/318831910.db2.gz FKIIOMJYOGVMDX-HNNXBMFYSA-N 1 0 334.420 2.483 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000567331542 319369462 /nfs/dbraw/zinc/36/94/62/319369462.db2.gz IQRSZAZLBYGFRR-XHDPSFHLSA-N 1 0 336.779 2.083 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000567443389 319379407 /nfs/dbraw/zinc/37/94/07/319379407.db2.gz LBRJYYPGGXVECV-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000569439544 319575759 /nfs/dbraw/zinc/57/57/59/319575759.db2.gz AFAKGPKNTYDCFI-XHDPSFHLSA-N 1 0 326.418 2.385 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2(C)CC[NH2+]CC2)cc1SC ZINC000574191784 320004350 /nfs/dbraw/zinc/00/43/50/320004350.db2.gz VXZRGYBDVXOAFJ-UHFFFAOYSA-N 1 0 339.417 2.197 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000577030617 320224743 /nfs/dbraw/zinc/22/47/43/320224743.db2.gz XEXYLKVHBLNQDP-LBPRGKRZSA-N 1 0 343.387 2.057 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000578131461 320296396 /nfs/dbraw/zinc/29/63/96/320296396.db2.gz BGTKWZXRLWLGHC-QMMMGPOBSA-N 1 0 347.318 2.062 20 5 EEBDRO CC(C)CO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182004336 323361872 /nfs/dbraw/zinc/36/18/72/323361872.db2.gz VQJSBGGDEYSAQY-GJZGRUSLSA-N 1 0 338.404 2.081 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1COCc2ccccc21 ZINC000581066873 324178891 /nfs/dbraw/zinc/17/88/91/324178891.db2.gz LKBQIWASBDGCDE-GOEBONIOSA-N 1 0 344.367 2.196 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293253 465028854 /nfs/dbraw/zinc/02/88/54/465028854.db2.gz QEDVCLSPIHNDCB-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000347592413 465111438 /nfs/dbraw/zinc/11/14/38/465111438.db2.gz NGHSATNLIJAFFT-JKSUJKDBSA-N 1 0 343.431 2.386 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339432432 465268837 /nfs/dbraw/zinc/26/88/37/465268837.db2.gz PDJCIAJNQOPGPY-GOSISDBHSA-N 1 0 346.431 2.259 20 5 EEBDRO CC(C)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000114383464 462642971 /nfs/dbraw/zinc/64/29/71/462642971.db2.gz IDWQMQPBQGOABN-UHFFFAOYSA-N 1 0 334.420 2.369 20 5 EEBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114460266 462649490 /nfs/dbraw/zinc/64/94/90/462649490.db2.gz XZKHURBPKTUUCO-HZPDHXFCSA-N 1 0 335.404 2.183 20 5 EEBDRO CC[NH+]1CCN(CCCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000075469689 462720502 /nfs/dbraw/zinc/72/05/02/462720502.db2.gz HKKYOBKXPIVRPG-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000046954257 462725672 /nfs/dbraw/zinc/72/56/72/462725672.db2.gz HWHIWHCIVIAXEK-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000046996085 462731861 /nfs/dbraw/zinc/73/18/61/462731861.db2.gz HWMFXEAWVHRPBT-ZIAGYGMSSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000047405760 462777513 /nfs/dbraw/zinc/77/75/13/462777513.db2.gz UYLOOWNCPHZFLR-LBPRGKRZSA-N 1 0 349.387 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000067166414 462974101 /nfs/dbraw/zinc/97/41/01/462974101.db2.gz XYCNOUAQYYCURR-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000120286777 462982702 /nfs/dbraw/zinc/98/27/02/462982702.db2.gz FQYMBFFRUHCOML-CQSZACIVSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077429367 462983484 /nfs/dbraw/zinc/98/34/84/462983484.db2.gz VQKZIMHFFYZXLH-STQMWFEESA-N 1 0 332.404 2.492 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000067841353 463056237 /nfs/dbraw/zinc/05/62/37/463056237.db2.gz IAAKHDTWZHUCRG-CQSZACIVSA-N 1 0 346.431 2.409 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCSC1 ZINC000121067056 463074176 /nfs/dbraw/zinc/07/41/76/463074176.db2.gz WIFMHRLJJMQTTJ-GFCCVEGCSA-N 1 0 339.417 2.369 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000078405113 463113710 /nfs/dbraw/zinc/11/37/10/463113710.db2.gz DXRTUAWZUGHSFD-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO C[N@H+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000053582855 463177063 /nfs/dbraw/zinc/17/70/63/463177063.db2.gz YSIWPNFELWFJRP-UHFFFAOYSA-N 1 0 328.372 2.238 20 5 EEBDRO [NH3+][C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000137464759 463293818 /nfs/dbraw/zinc/29/38/18/463293818.db2.gz VXCYBOSVAZBSHN-LLVKDONJSA-N 1 0 347.293 2.003 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000123085756 463315885 /nfs/dbraw/zinc/31/58/85/463315885.db2.gz QCOJITZATPHOAG-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140037519 463336435 /nfs/dbraw/zinc/33/64/35/463336435.db2.gz UQNZSOBPFIXRIX-PBHICJAKSA-N 1 0 346.431 2.258 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071040343 463404571 /nfs/dbraw/zinc/40/45/71/463404571.db2.gz IBGAIDUFORTWDM-UHFFFAOYSA-N 1 0 339.311 2.193 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000124405266 463420152 /nfs/dbraw/zinc/42/01/52/463420152.db2.gz MNHYCLKGZDILDK-GFCCVEGCSA-N 1 0 349.391 2.043 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000112310244 463698049 /nfs/dbraw/zinc/69/80/49/463698049.db2.gz LYTGFUOBSLTADO-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](OC)C1 ZINC000170821154 463713075 /nfs/dbraw/zinc/71/30/75/463713075.db2.gz TUSMRRHKJAFWEA-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286836569 463720437 /nfs/dbraw/zinc/72/04/37/463720437.db2.gz ZRNIPXZCUMTUJF-UHFFFAOYSA-N 1 0 331.376 2.164 20 5 EEBDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000185097403 463752320 /nfs/dbraw/zinc/75/23/20/463752320.db2.gz IPTGBDXYDPZGFT-UHFFFAOYSA-N 1 0 347.371 2.187 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000276836578 463774424 /nfs/dbraw/zinc/77/44/24/463774424.db2.gz PFOMPNOBENOCMK-SWLSCSKDSA-N 1 0 333.388 2.078 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000171098448 463785193 /nfs/dbraw/zinc/78/51/93/463785193.db2.gz QGTYXHHQMKFFBJ-UHFFFAOYSA-N 1 0 336.392 2.217 20 5 EEBDRO CCOc1cc(C[NH+]2CCC(Cn3cncn3)CC2)ccc1[N+](=O)[O-] ZINC000276899044 463798655 /nfs/dbraw/zinc/79/86/55/463798655.db2.gz LKUBSWKWYGBOBY-UHFFFAOYSA-N 1 0 345.403 2.497 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000287218755 463837380 /nfs/dbraw/zinc/83/73/80/463837380.db2.gz FRTWNSLBGSRMGD-DOTOQJQBSA-N 1 0 346.431 2.406 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194331423 463838733 /nfs/dbraw/zinc/83/87/33/463838733.db2.gz RRLOZHBVOFVPNJ-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000261789325 463860437 /nfs/dbraw/zinc/86/04/37/463860437.db2.gz LUSNOUDOXJAGJM-GWCFXTLKSA-N 1 0 325.796 2.377 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000178980246 464030374 /nfs/dbraw/zinc/03/03/74/464030374.db2.gz YLFZNIQTMBNCSA-IUODEOHRSA-N 1 0 341.433 2.089 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000179117557 464059448 /nfs/dbraw/zinc/05/94/48/464059448.db2.gz WOXLVBFZEPBGKM-HNNXBMFYSA-N 1 0 346.431 2.265 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269701456 464063962 /nfs/dbraw/zinc/06/39/62/464063962.db2.gz MCEJDOPRIAJJMB-QGZVFWFLSA-N 1 0 343.383 2.120 20 5 EEBDRO CCC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000284357356 464162757 /nfs/dbraw/zinc/16/27/57/464162757.db2.gz MTCDDMUXCWSAHH-CQSZACIVSA-N 1 0 347.375 2.104 20 5 EEBDRO CSC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313688 464193705 /nfs/dbraw/zinc/19/37/05/464193705.db2.gz DVKIJZUIHLUUMV-ZIAGYGMSSA-N 1 0 340.445 2.410 20 5 EEBDRO CSC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313681 464194156 /nfs/dbraw/zinc/19/41/56/464194156.db2.gz DVKIJZUIHLUUMV-KBPBESRZSA-N 1 0 340.445 2.410 20 5 EEBDRO CCCNC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236842003 464230183 /nfs/dbraw/zinc/23/01/83/464230183.db2.gz FSHUWVYFAGPYGS-UHFFFAOYSA-N 1 0 345.403 2.001 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591056194 468400470 /nfs/dbraw/zinc/40/04/70/468400470.db2.gz USLIMCMQJFBVSY-HYVNUMGLSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000263953384 464251149 /nfs/dbraw/zinc/25/11/49/464251149.db2.gz ZEXARDACFRUOFQ-SECBINFHSA-N 1 0 347.824 2.009 20 5 EEBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000173526615 464276935 /nfs/dbraw/zinc/27/69/35/464276935.db2.gz UOQBYFLLYMLYAU-UHFFFAOYSA-N 1 0 343.449 2.382 20 5 EEBDRO COc1ccc(OCC[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000173643083 464300288 /nfs/dbraw/zinc/30/02/88/464300288.db2.gz NDFBHPLFNWIRPC-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443704 464313380 /nfs/dbraw/zinc/31/33/80/464313380.db2.gz VVTFKHUQKOLTLZ-NXEZZACHSA-N 1 0 347.462 2.345 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174144305 464367731 /nfs/dbraw/zinc/36/77/31/464367731.db2.gz WKCFTJYIAIWKRG-CZUORRHYSA-N 1 0 333.388 2.059 20 5 EEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000356640585 465465620 /nfs/dbraw/zinc/46/56/20/465465620.db2.gz HTTNLVPSFNQSEJ-UHFFFAOYSA-N 1 0 337.424 2.057 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000174326866 464393874 /nfs/dbraw/zinc/39/38/74/464393874.db2.gz OIFCEWYAAGGJDU-UHFFFAOYSA-N 1 0 325.434 2.286 20 5 EEBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237883660 464395831 /nfs/dbraw/zinc/39/58/31/464395831.db2.gz GYLLQAOWOZTIRI-UHFFFAOYSA-N 1 0 340.383 2.252 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264647312 464408067 /nfs/dbraw/zinc/40/80/67/464408067.db2.gz WJLFBXGKMNNJNJ-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000271931025 464418537 /nfs/dbraw/zinc/41/85/37/464418537.db2.gz MLKTWDYDEWBCJY-UHFFFAOYSA-N 1 0 348.359 2.112 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348181866 465476616 /nfs/dbraw/zinc/47/66/16/465476616.db2.gz KHDUPMDOPPANGG-DZGCQCFKSA-N 1 0 335.404 2.373 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981314 464578006 /nfs/dbraw/zinc/57/80/06/464578006.db2.gz LRJWMGFCEDWCFY-NVXWUHKLSA-N 1 0 338.404 2.129 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281839387 464603545 /nfs/dbraw/zinc/60/35/45/464603545.db2.gz WYFQKPJESVTXLM-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426753 464604012 /nfs/dbraw/zinc/60/40/12/464604012.db2.gz CEJVJLJNCUHNBB-NVXWUHKLSA-N 1 0 346.431 2.263 20 5 EEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000281924296 464637195 /nfs/dbraw/zinc/63/71/95/464637195.db2.gz AJUKKHXUWUVPAQ-MEBBXXQBSA-N 1 0 337.332 2.134 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377360 464639891 /nfs/dbraw/zinc/63/98/91/464639891.db2.gz LGHIEIXARXJFRU-UHFFFAOYSA-N 1 0 340.855 2.318 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294958797 464661886 /nfs/dbraw/zinc/66/18/86/464661886.db2.gz CLCGJXWENXQHSE-WMLDXEAASA-N 1 0 346.431 2.151 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000265806728 464692844 /nfs/dbraw/zinc/69/28/44/464692844.db2.gz SAAUZNRCWNWBKA-CVEARBPZSA-N 1 0 342.399 2.285 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838671 464705222 /nfs/dbraw/zinc/70/52/22/464705222.db2.gz FTJDWMUPVSYPCG-CHWSQXEVSA-N 1 0 342.417 2.049 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176163801 464711322 /nfs/dbraw/zinc/71/13/22/464711322.db2.gz ZNRZDZOTXCSVMF-FRRDWIJNSA-N 1 0 334.420 2.273 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000295227820 464752024 /nfs/dbraw/zinc/75/20/24/464752024.db2.gz BIGVRJULSIGFRE-LBPRGKRZSA-N 1 0 333.388 2.160 20 5 EEBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266759863 464812692 /nfs/dbraw/zinc/81/26/92/464812692.db2.gz SUODIWZHZOOYSS-CABCVRRESA-N 1 0 340.420 2.390 20 5 EEBDRO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCn1ccc([N+](=O)[O-])n1 ZINC000286131110 464814666 /nfs/dbraw/zinc/81/46/66/464814666.db2.gz VDZVHBAXAGGERU-UHFFFAOYSA-N 1 0 342.359 2.016 20 5 EEBDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183440689 464865092 /nfs/dbraw/zinc/86/50/92/464865092.db2.gz DYPBTRUOQMQJAG-OWCLPIDISA-N 1 0 335.404 2.271 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355916 464901826 /nfs/dbraw/zinc/90/18/26/464901826.db2.gz VBEXWWWSPJQKRM-VXGBXAGGSA-N 1 0 341.433 2.283 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000593906524 468428589 /nfs/dbraw/zinc/42/85/89/468428589.db2.gz NVQYXTIKVPKHTQ-GFCCVEGCSA-N 1 0 345.403 2.005 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351760714 465344489 /nfs/dbraw/zinc/34/44/89/465344489.db2.gz UIGIPPOUXSHQLK-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593912358 468430662 /nfs/dbraw/zinc/43/06/62/468430662.db2.gz LZJIWMZCZNDTEW-SJCJKPOMSA-N 1 0 333.388 2.195 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1C ZINC000348012809 465369790 /nfs/dbraw/zinc/36/97/90/465369790.db2.gz UZGZAIBHRBTJAA-LLVKDONJSA-N 1 0 331.376 2.234 20 5 EEBDRO COc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360075973 465530245 /nfs/dbraw/zinc/53/02/45/465530245.db2.gz OMVVWEGSLOGSDM-CQSZACIVSA-N 1 0 335.404 2.282 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824288 465534261 /nfs/dbraw/zinc/53/42/61/465534261.db2.gz FKNUUSQBHZYHBW-DOTOQJQBSA-N 1 0 338.404 2.081 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000361062532 465738768 /nfs/dbraw/zinc/73/87/68/465738768.db2.gz MKTWJCBNXVQJMZ-UHFFFAOYSA-N 1 0 332.408 2.180 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000299448304 465751786 /nfs/dbraw/zinc/75/17/86/465751786.db2.gz VSMOBSSNHQNMHF-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000340101744 465767929 /nfs/dbraw/zinc/76/79/29/465767929.db2.gz AGSAILDOXNHKFN-UONOGXRCSA-N 1 0 334.420 2.196 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C)CC1 ZINC000340169235 465839153 /nfs/dbraw/zinc/83/91/53/465839153.db2.gz VNPMBHWIAPHXJN-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331007262 465895397 /nfs/dbraw/zinc/89/53/97/465895397.db2.gz TVUXHXHBRCTRLV-HNNXBMFYSA-N 1 0 345.403 2.417 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000346229228 466011283 /nfs/dbraw/zinc/01/12/83/466011283.db2.gz RVBBDTVLMWSQQC-SECBINFHSA-N 1 0 349.309 2.216 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357459606 466053981 /nfs/dbraw/zinc/05/39/81/466053981.db2.gz PAPWFJWOWBYLPY-LBPRGKRZSA-N 1 0 335.408 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000362830810 466056877 /nfs/dbraw/zinc/05/68/77/466056877.db2.gz MUPCHTSRGVNZDY-UHFFFAOYSA-N 1 0 329.360 2.684 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000362849919 466071009 /nfs/dbraw/zinc/07/10/09/466071009.db2.gz IQOLFISOXQENFB-MRXNPFEDSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301985847 466073329 /nfs/dbraw/zinc/07/33/29/466073329.db2.gz LTDMKSIKCSVVSV-XQQFMLRXSA-N 1 0 332.408 2.416 20 5 EEBDRO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312878 468470893 /nfs/dbraw/zinc/47/08/93/468470893.db2.gz GWXRKGOLWCIJBD-BLLLJJGKSA-N 1 0 337.445 2.252 20 5 EEBDRO Cc1cc(N2CCN(C(=O)N(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302195472 466116428 /nfs/dbraw/zinc/11/64/28/466116428.db2.gz SKVUGYBVKQTQIV-UHFFFAOYSA-N 1 0 343.387 2.255 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000340500395 466134432 /nfs/dbraw/zinc/13/44/32/466134432.db2.gz SAXPGKMBFNQQDW-ZNMIVQPWSA-N 1 0 349.435 2.045 20 5 EEBDRO CCOc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000302487288 466144898 /nfs/dbraw/zinc/14/48/98/466144898.db2.gz IRIQTUMRYGRZAB-ZDUSSCGKSA-N 1 0 337.420 2.275 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1[NH+](C)C ZINC000331669044 466188395 /nfs/dbraw/zinc/18/83/95/466188395.db2.gz YKQOCNGPPMLKAJ-ZIAGYGMSSA-N 1 0 348.428 2.194 20 5 EEBDRO Cc1c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000372163314 466197474 /nfs/dbraw/zinc/19/74/74/466197474.db2.gz OZYDDADLLSJCQN-IAOVAPTHSA-N 1 0 347.415 2.227 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363123917 466233788 /nfs/dbraw/zinc/23/37/88/466233788.db2.gz LDCHEKRUQKQWCY-AWEZNQCLSA-N 1 0 333.388 2.060 20 5 EEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(F)cc1 ZINC000304326685 466283590 /nfs/dbraw/zinc/28/35/90/466283590.db2.gz STDNDWKJGHPXNT-WBMJQRKESA-N 1 0 336.367 2.374 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000332051128 466363049 /nfs/dbraw/zinc/36/30/49/466363049.db2.gz NAGXOGBRMZNQCX-OCCSQVGLSA-N 1 0 330.388 2.148 20 5 EEBDRO CC[N@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000338803663 466389074 /nfs/dbraw/zinc/38/90/74/466389074.db2.gz VQMGGDTXOYDMMQ-UHFFFAOYSA-N 1 0 337.424 2.036 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000358041737 466406176 /nfs/dbraw/zinc/40/61/76/466406176.db2.gz UTORBFLJUZPLQJ-UMVBOHGHSA-N 1 0 340.445 2.453 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000308667498 466497578 /nfs/dbraw/zinc/49/75/78/466497578.db2.gz LPLCXWOGTNWIQO-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000332389554 466539169 /nfs/dbraw/zinc/53/91/69/466539169.db2.gz LFXZMTVSSDFDFY-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000354444838 466573345 /nfs/dbraw/zinc/57/33/45/466573345.db2.gz MATKXJACTOFAGR-GFCCVEGCSA-N 1 0 345.403 2.465 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364984085 466726164 /nfs/dbraw/zinc/72/61/64/466726164.db2.gz SKNLPZDXTPAKGE-QGTPRVQTSA-N 1 0 333.432 2.495 20 5 EEBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000369662852 466743182 /nfs/dbraw/zinc/74/31/82/466743182.db2.gz IVLGXBKZGBCFMT-UHFFFAOYSA-N 1 0 344.375 2.702 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365220805 466748979 /nfs/dbraw/zinc/74/89/79/466748979.db2.gz GXVRROMKQOBART-HIFRSBDPSA-N 1 0 344.415 2.019 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000423448954 466751656 /nfs/dbraw/zinc/75/16/56/466751656.db2.gz QYMMIMPGCISBBI-AWEZNQCLSA-N 1 0 333.388 2.208 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCO1 ZINC000423576985 466776848 /nfs/dbraw/zinc/77/68/48/466776848.db2.gz RQZMKKUZSSQARS-OLZOCXBDSA-N 1 0 325.434 2.044 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC12CCC2 ZINC000411401759 466820095 /nfs/dbraw/zinc/82/00/95/466820095.db2.gz RDGFMSNZDWSVLE-UHFFFAOYSA-N 1 0 349.387 2.187 20 5 EEBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411614710 466855760 /nfs/dbraw/zinc/85/57/60/466855760.db2.gz LDLMOTZXPOWZOB-DVOMOZLQSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423942530 466922866 /nfs/dbraw/zinc/92/28/66/466922866.db2.gz FBZDHPRRYIROBO-RNCFNFMXSA-N 1 0 341.795 2.211 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417771456 466929048 /nfs/dbraw/zinc/92/90/48/466929048.db2.gz VGZKSWKUZMNMSY-MRXNPFEDSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424017052 466953800 /nfs/dbraw/zinc/95/38/00/466953800.db2.gz ONIJIFWZCUKCDK-KGLIPLIRSA-N 1 0 334.420 2.230 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418085101 467041019 /nfs/dbraw/zinc/04/10/19/467041019.db2.gz WZEZSSYBKARNNY-JKSUJKDBSA-N 1 0 346.431 2.434 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098003 467044465 /nfs/dbraw/zinc/04/44/65/467044465.db2.gz YVWIZOPPPZDCRD-QMMMGPOBSA-N 1 0 334.298 2.102 20 5 EEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418659111 467142250 /nfs/dbraw/zinc/14/22/50/467142250.db2.gz LEIOLLZOLLJEMQ-DLBZAZTESA-N 1 0 344.415 2.051 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c2cccnc21 ZINC000413183072 467185558 /nfs/dbraw/zinc/18/55/58/467185558.db2.gz LLLNUJIWNACKSR-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCCOCC2)c(C(F)(F)F)c1 ZINC000413252259 467197791 /nfs/dbraw/zinc/19/77/91/467197791.db2.gz WHILVRVHCVZVBO-UHFFFAOYSA-N 1 0 334.298 2.143 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000432136682 467218777 /nfs/dbraw/zinc/21/87/77/467218777.db2.gz DNMMLUKCQYUGCP-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000451102897 467247536 /nfs/dbraw/zinc/24/75/36/467247536.db2.gz FTQYLUHGDSQNQE-JQFCIGGWSA-N 1 0 347.415 2.415 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429130742 467303534 /nfs/dbraw/zinc/30/35/34/467303534.db2.gz AQXRWAXRPOTKOM-GXSJLCMTSA-N 1 0 329.784 2.115 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294350 467341824 /nfs/dbraw/zinc/34/18/24/467341824.db2.gz SNALTMQFDPTQND-CYBMUJFWSA-N 1 0 342.827 2.492 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370984 467382676 /nfs/dbraw/zinc/38/26/76/467382676.db2.gz WMOKHYOQDWALBP-CYBMUJFWSA-N 1 0 340.811 2.164 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000434238052 467384325 /nfs/dbraw/zinc/38/43/25/467384325.db2.gz UPMCYVXDORODQX-RYUDHWBXSA-N 1 0 337.424 2.386 20 5 EEBDRO COC(=O)[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414499700 467414831 /nfs/dbraw/zinc/41/48/31/467414831.db2.gz ZMGBETCSAREONR-OAHLLOKOSA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581052 467428245 /nfs/dbraw/zinc/42/82/45/467428245.db2.gz GNESQZUYBLGGTG-JHJVBQTASA-N 1 0 334.420 2.472 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420594117 467431354 /nfs/dbraw/zinc/43/13/54/467431354.db2.gz YZAITXYDKMPKRT-AWEZNQCLSA-N 1 0 340.383 2.380 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430557638 467439828 /nfs/dbraw/zinc/43/98/28/467439828.db2.gz TYWQKJLOIBYDJW-CQSZACIVSA-N 1 0 333.392 2.450 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000435392898 467466335 /nfs/dbraw/zinc/46/63/35/467466335.db2.gz HWZSDZAPHFDAPJ-CQSZACIVSA-N 1 0 333.413 2.483 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000453267283 467473751 /nfs/dbraw/zinc/47/37/51/467473751.db2.gz PCFDERVOOUTPOD-ZWKOTPCHSA-N 1 0 347.459 2.352 20 5 EEBDRO C[C@@H]1[NH2+]CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000436060173 467511559 /nfs/dbraw/zinc/51/15/59/467511559.db2.gz DAEOHMBYNBBIGR-STQMWFEESA-N 1 0 330.388 2.475 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NCC3CC[NH+](C4CC4)CC3)c21 ZINC000444872522 467583683 /nfs/dbraw/zinc/58/36/83/467583683.db2.gz IIGZTBOBIZOEQE-UHFFFAOYSA-N 1 0 327.388 2.824 20 5 EEBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588742 467587899 /nfs/dbraw/zinc/58/78/99/467587899.db2.gz VHNSYPPRKAZYJN-SYAUCNOPSA-N 1 0 333.436 2.347 20 5 EEBDRO C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000454775715 467615021 /nfs/dbraw/zinc/61/50/21/467615021.db2.gz OKGWMBYZXPPNFC-JTQLQIEISA-N 1 0 328.800 2.040 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000449243294 467625400 /nfs/dbraw/zinc/62/54/00/467625400.db2.gz JSCAKWCCGJILJN-PXAZEXFGSA-N 1 0 338.404 2.208 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CCCO ZINC000449386967 467635015 /nfs/dbraw/zinc/63/50/15/467635015.db2.gz KEZNQKDLPYWSMX-DOTOQJQBSA-N 1 0 335.448 2.352 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449582321 467666071 /nfs/dbraw/zinc/66/60/71/467666071.db2.gz FRCJWYASSXXYLN-QWHCGFSZSA-N 1 0 345.403 2.266 20 5 EEBDRO CNc1nc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000455391666 467673982 /nfs/dbraw/zinc/67/39/82/467673982.db2.gz BBIPWYHMMMHKBF-UHFFFAOYSA-N 1 0 343.387 2.388 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456357369 467710448 /nfs/dbraw/zinc/71/04/48/467710448.db2.gz SJVOQDHKHIPKHZ-NSHDSACASA-N 1 0 331.376 2.027 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000492921882 467795374 /nfs/dbraw/zinc/79/53/74/467795374.db2.gz MFLSJWSUFRXHOL-RCFWFJCLSA-N 1 0 333.363 2.301 20 5 EEBDRO Cc1nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450367646 467836882 /nfs/dbraw/zinc/83/68/82/467836882.db2.gz XTNRDRGKXKCSOO-CYBMUJFWSA-N 1 0 329.404 3.016 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000458459062 467838645 /nfs/dbraw/zinc/83/86/45/467838645.db2.gz PHIQXBHPCOHWNQ-HNNXBMFYSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458479777 467843295 /nfs/dbraw/zinc/84/32/95/467843295.db2.gz RFBGCXPGPBLUQW-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO C[NH+]1CCN(C[C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000514650704 467945448 /nfs/dbraw/zinc/94/54/48/467945448.db2.gz CQLAWRNCWRDHAD-CQSZACIVSA-N 1 0 347.444 2.452 20 5 EEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000493606125 467946697 /nfs/dbraw/zinc/94/66/97/467946697.db2.gz PDYKODXGCFFRIJ-WBVHZDCISA-N 1 0 349.387 2.034 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC(F)(F)F ZINC000474039932 467990344 /nfs/dbraw/zinc/99/03/44/467990344.db2.gz HDMPACJSIQTQRK-SECBINFHSA-N 1 0 335.282 2.438 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000494230438 468038658 /nfs/dbraw/zinc/03/86/58/468038658.db2.gz KFSFMXGLIHTSGP-XMZIXOGTSA-N 1 0 337.376 2.088 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000494381775 468050711 /nfs/dbraw/zinc/05/07/11/468050711.db2.gz AZUQWKFGNQYCJP-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000531569457 468061444 /nfs/dbraw/zinc/06/14/44/468061444.db2.gz UFSPMVKZNJBHFI-ZFWWWQNUSA-N 1 0 342.399 2.326 20 5 EEBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cn1cccn1 ZINC000567677880 468181814 /nfs/dbraw/zinc/18/18/14/468181814.db2.gz CWNADWFRGDTRID-CYBMUJFWSA-N 1 0 331.376 2.046 20 5 EEBDRO C[C@H](CCc1cccn1C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567690747 468185158 /nfs/dbraw/zinc/18/51/58/468185158.db2.gz INPLEFMCIJDTSQ-PBHICJAKSA-N 1 0 347.415 2.284 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520363416 468245480 /nfs/dbraw/zinc/24/54/80/468245480.db2.gz KUBHLCPJTPMZIJ-BETUJISGSA-N 1 0 336.436 2.420 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594212104 468514605 /nfs/dbraw/zinc/51/46/05/468514605.db2.gz SLPRQSBTQPRKHW-JKSUJKDBSA-N 1 0 332.404 2.411 20 5 EEBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594362085 468562065 /nfs/dbraw/zinc/56/20/65/468562065.db2.gz OFYCFWRHZBROOK-UHFFFAOYSA-N 1 0 345.359 2.365 20 5 EEBDRO CNc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594418835 468579455 /nfs/dbraw/zinc/57/94/55/468579455.db2.gz MFMHRGDZZQDXLU-UONOGXRCSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1cccc(OCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582720613 468584047 /nfs/dbraw/zinc/58/40/47/468584047.db2.gz ZHFXLWXXERBADA-MRXNPFEDSA-N 1 0 346.383 2.312 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000594433691 468584398 /nfs/dbraw/zinc/58/43/98/468584398.db2.gz QTYGLLBDZSRGOL-KBXCAEBGSA-N 1 0 346.431 2.211 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000570241041 468609309 /nfs/dbraw/zinc/60/93/09/468609309.db2.gz HBFCCGKSYXABBJ-OAHLLOKOSA-N 1 0 346.383 2.175 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600716067 468630974 /nfs/dbraw/zinc/63/09/74/468630974.db2.gz WDPSYTHRPAUXST-AWEZNQCLSA-N 1 0 340.811 2.117 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255521 468666060 /nfs/dbraw/zinc/66/60/60/468666060.db2.gz QQJMOHRUADHJJJ-HOTGVXAUSA-N 1 0 331.416 2.376 20 5 EEBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)n1 ZINC000592357214 468682246 /nfs/dbraw/zinc/68/22/46/468682246.db2.gz UYWXEWYQKFALMM-SNVBAGLBSA-N 1 0 326.316 2.255 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000592428744 468696036 /nfs/dbraw/zinc/69/60/36/468696036.db2.gz TVZLVXAAPOWCOD-ABAIWWIYSA-N 1 0 348.428 2.266 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000592432351 468696491 /nfs/dbraw/zinc/69/64/91/468696491.db2.gz FEIFACFOXGPZEE-GWCFXTLKSA-N 1 0 327.331 2.380 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597860960 468697068 /nfs/dbraw/zinc/69/70/68/468697068.db2.gz QGZSWYYNFFXYKF-CQSZACIVSA-N 1 0 349.431 2.383 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000592567545 468731172 /nfs/dbraw/zinc/73/11/72/468731172.db2.gz QOIFHOONGIYZRU-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O ZINC000595022785 468744941 /nfs/dbraw/zinc/74/49/41/468744941.db2.gz VYKCMBAUHUHTPE-MNOVXSKESA-N 1 0 330.406 2.077 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000560363495 468790909 /nfs/dbraw/zinc/79/09/09/468790909.db2.gz LEBCFSJNDOPCBB-GFCCVEGCSA-N 1 0 328.372 2.215 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1CCC[NH3+] ZINC000595258523 468795296 /nfs/dbraw/zinc/79/52/96/468795296.db2.gz PHUJVTBZNXNHRM-IAQYHMDHSA-N 1 0 345.403 2.451 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000598342282 468836667 /nfs/dbraw/zinc/83/66/67/468836667.db2.gz LQPKKHFOTSBISI-CYBMUJFWSA-N 1 0 330.388 2.219 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907178 468854453 /nfs/dbraw/zinc/85/44/53/468854453.db2.gz DOPNXJDMUINTDW-OLZOCXBDSA-N 1 0 345.403 2.307 20 5 EEBDRO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593056352 468854911 /nfs/dbraw/zinc/85/49/11/468854911.db2.gz GWAMCILTLZJKNY-DZGCQCFKSA-N 1 0 338.404 2.224 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386472 468857956 /nfs/dbraw/zinc/85/79/56/468857956.db2.gz GSVOFAXTNNKLKN-ZQIUZPCESA-N 1 0 346.431 2.467 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000601439883 468874728 /nfs/dbraw/zinc/87/47/28/468874728.db2.gz XCNNRHQJKSSSAV-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504432 468879132 /nfs/dbraw/zinc/87/91/32/468879132.db2.gz JAVNYKACVFGJLJ-SFHVURJKSA-N 1 0 346.431 2.259 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595511075 468883119 /nfs/dbraw/zinc/88/31/19/468883119.db2.gz HSQIFYQSZORJDX-UHFFFAOYSA-N 1 0 335.448 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000595534935 468891725 /nfs/dbraw/zinc/89/17/25/468891725.db2.gz ZHZRTOATTKAEAR-UHFFFAOYSA-N 1 0 333.388 2.221 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000593188880 468898997 /nfs/dbraw/zinc/89/89/97/468898997.db2.gz DRZWSLBRZUPQGN-AXFHLTTASA-N 1 0 331.376 2.024 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000598591548 468925253 /nfs/dbraw/zinc/92/52/53/468925253.db2.gz CIVVDZWJHJPQJI-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595701168 468960765 /nfs/dbraw/zinc/96/07/65/468960765.db2.gz QVLVPGBAMOHPJO-CZUORRHYSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595701166 468961227 /nfs/dbraw/zinc/96/12/27/468961227.db2.gz QVLVPGBAMOHPJO-BBRMVZONSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639251 468982870 /nfs/dbraw/zinc/98/28/70/468982870.db2.gz IESIDJKUMMKLIJ-RNCFNFMXSA-N 1 0 334.294 2.243 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593467271 468993459 /nfs/dbraw/zinc/99/34/59/468993459.db2.gz NSBFTGBBVHABAA-UHFFFAOYSA-N 1 0 337.395 2.467 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602665716 468997026 /nfs/dbraw/zinc/99/70/26/468997026.db2.gz YBGWDAYDARQUSD-MRXNPFEDSA-N 1 0 346.431 2.407 20 5 EEBDRO COc1ccncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602668178 468999076 /nfs/dbraw/zinc/99/90/76/468999076.db2.gz BVWRKWHOHZOVIH-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784847 469009057 /nfs/dbraw/zinc/00/90/57/469009057.db2.gz BXXRTSBYHSTRGP-GOEBONIOSA-N 1 0 335.404 2.038 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718768 469021178 /nfs/dbraw/zinc/02/11/78/469021178.db2.gz XFMLMGPEOPNKFP-CQSZACIVSA-N 1 0 337.395 2.421 20 5 EEBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c1 ZINC000601851621 469058191 /nfs/dbraw/zinc/05/81/91/469058191.db2.gz ULZVHGCMGFEHSX-AWEZNQCLSA-N 1 0 328.372 2.236 20 5 EEBDRO CC1(C)C[C@@]1([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908582 469076993 /nfs/dbraw/zinc/07/69/93/469076993.db2.gz ISLNXXYYDCNQGD-DOTOQJQBSA-N 1 0 330.388 2.067 20 5 EEBDRO CC1(C)C[C@]1([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908584 469077025 /nfs/dbraw/zinc/07/70/25/469077025.db2.gz ISLNXXYYDCNQGD-RDJZCZTQSA-N 1 0 330.388 2.067 20 5 EEBDRO C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000593703708 469102283 /nfs/dbraw/zinc/10/22/83/469102283.db2.gz MLKDEGKGUXNDOZ-IFIJOSMWSA-N 1 0 332.404 2.426 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595983510 469105975 /nfs/dbraw/zinc/10/59/75/469105975.db2.gz PQAUQXNCKORPBO-MCIONIFRSA-N 1 0 348.447 2.415 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595983511 469106072 /nfs/dbraw/zinc/10/60/72/469106072.db2.gz PQAUQXNCKORPBO-MJBXVCDLSA-N 1 0 348.447 2.415 20 5 EEBDRO [NH3+]CC1(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000593717571 469106805 /nfs/dbraw/zinc/10/68/05/469106805.db2.gz DGBKRBUVXOHLCZ-UHFFFAOYSA-N 1 0 332.404 2.398 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733368 469115128 /nfs/dbraw/zinc/11/51/28/469115128.db2.gz MAHXAYQZCPKJLO-JSGCOSHPSA-N 1 0 334.420 2.291 20 5 EEBDRO Nc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000596054370 469131130 /nfs/dbraw/zinc/13/11/30/469131130.db2.gz RTBIZXZLZRJWJV-OAHLLOKOSA-N 1 0 327.388 2.821 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000602044398 469159167 /nfs/dbraw/zinc/15/91/67/469159167.db2.gz HZZBOIWHQYYQAZ-SECBINFHSA-N 1 0 348.325 2.092 20 5 EEBDRO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])s1 ZINC000596110812 469159601 /nfs/dbraw/zinc/15/96/01/469159601.db2.gz TWFCIOOLVAPWQV-ZDUSSCGKSA-N 1 0 340.449 2.319 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574032 469164322 /nfs/dbraw/zinc/16/43/22/469164322.db2.gz INNPFCLHAMHYNB-CYBMUJFWSA-N 1 0 346.387 2.205 20 5 EEBDRO C[NH+](C)C[C@H](CO)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000589102043 469194704 /nfs/dbraw/zinc/19/47/04/469194704.db2.gz UZNBDFRVXICVTK-OAHLLOKOSA-N 1 0 343.383 2.160 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+](C[C@H]1CCOC1)C1CC1)OCCO2 ZINC000611254254 469210196 /nfs/dbraw/zinc/21/01/96/469210196.db2.gz GLNZBBOOWZPFGY-GFCCVEGCSA-N 1 0 334.372 2.367 20 5 EEBDRO C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198030 469211725 /nfs/dbraw/zinc/21/17/25/469211725.db2.gz UEZJWFDMTKDQQD-UHFFFAOYSA-N 1 0 332.360 2.085 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000564913759 469262982 /nfs/dbraw/zinc/26/29/82/469262982.db2.gz ZHFMVKIGLDKVEJ-DYVFJYSZSA-N 1 0 343.387 2.831 20 5 EEBDRO C[C@H](CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+](C)C ZINC000596428076 469263669 /nfs/dbraw/zinc/26/36/69/469263669.db2.gz DTFXECYAFVZOLQ-GFCCVEGCSA-N 1 0 345.403 2.311 20 5 EEBDRO NC(=O)c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596552415 469299484 /nfs/dbraw/zinc/29/94/84/469299484.db2.gz LSQBWTQMDIHCHV-OAHLLOKOSA-N 1 0 340.383 2.380 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569998 469303213 /nfs/dbraw/zinc/30/32/13/469303213.db2.gz GAACNMLYCDUVAY-CYBMUJFWSA-N 1 0 332.404 2.228 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCOc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000599630421 469316240 /nfs/dbraw/zinc/31/62/40/469316240.db2.gz RLZZYANJQXDNTG-WBVHZDCISA-N 1 0 345.355 2.194 20 5 EEBDRO COc1ncccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507108 469342042 /nfs/dbraw/zinc/34/20/42/469342042.db2.gz ASCXUVJTMULECY-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602546743 469356224 /nfs/dbraw/zinc/35/62/24/469356224.db2.gz KRPHAHQQIRIPCX-CYBMUJFWSA-N 1 0 347.337 2.424 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOc2ccccc2C1 ZINC000612030369 469369804 /nfs/dbraw/zinc/36/98/04/469369804.db2.gz KHTMOMFTWBXYLZ-OAHLLOKOSA-N 1 0 344.367 2.229 20 5 EEBDRO COC[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602597940 469378906 /nfs/dbraw/zinc/37/89/06/469378906.db2.gz VAKAOPNTGUNRKH-ZETCQYMHSA-N 1 0 339.211 2.170 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000604489558 469483322 /nfs/dbraw/zinc/48/33/22/469483322.db2.gz JAIONFRLCCPOIS-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000619564026 469640232 /nfs/dbraw/zinc/64/02/32/469640232.db2.gz FPEFJQYGORGSNL-AWEZNQCLSA-N 1 0 335.404 2.271 20 5 EEBDRO CCc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609156928 469897464 /nfs/dbraw/zinc/89/74/64/469897464.db2.gz RPGSGEMMSAQXLE-ZDUSSCGKSA-N 1 0 341.415 2.400 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386047 469924722 /nfs/dbraw/zinc/92/47/22/469924722.db2.gz JUJCWYBKLHJZIN-CQSZACIVSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583583 469943239 /nfs/dbraw/zinc/94/32/39/469943239.db2.gz QHYUVNSUIDYMOB-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000609631858 469951875 /nfs/dbraw/zinc/95/18/75/469951875.db2.gz SBNQAYQLQDIGST-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000609848416 469966164 /nfs/dbraw/zinc/96/61/64/469966164.db2.gz HQFLIOPYTACBMP-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609963655 469971731 /nfs/dbraw/zinc/97/17/31/469971731.db2.gz ANHXZZREKFZKCR-LLVKDONJSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2N)o1 ZINC000178181509 533883836 /nfs/dbraw/zinc/88/38/36/533883836.db2.gz UKQPUUCUBNSMKT-UHFFFAOYSA-N 1 0 346.387 2.282 20 5 EEBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCOCC1 ZINC000153122325 534079637 /nfs/dbraw/zinc/07/96/37/534079637.db2.gz HAABYWOAYFOIMH-YJBOKZPZSA-N 1 0 347.459 2.474 20 5 EEBDRO [NH3+]C1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131803120 534555479 /nfs/dbraw/zinc/55/54/79/534555479.db2.gz IAAZCRKUIQWBJY-UHFFFAOYSA-N 1 0 341.795 2.403 20 5 EEBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129991857 526615607 /nfs/dbraw/zinc/61/56/07/526615607.db2.gz KLVUPKSFBKVXEZ-CQSZACIVSA-N 1 0 341.383 2.449 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000174962356 527836472 /nfs/dbraw/zinc/83/64/72/527836472.db2.gz YHNBRRPYGJXSSJ-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000420236198 528274182 /nfs/dbraw/zinc/27/41/82/528274182.db2.gz DHETZEGEBPUVHN-LBPRGKRZSA-N 1 0 336.392 2.357 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131585393 528779089 /nfs/dbraw/zinc/77/90/89/528779089.db2.gz LZDRHQPFNRZSSE-UHFFFAOYSA-N 1 0 331.376 2.042 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425047343 536487769 /nfs/dbraw/zinc/48/77/69/536487769.db2.gz MKAQXNFITHQNJJ-SWLSCSKDSA-N 1 0 335.429 2.240 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000456681304 536949885 /nfs/dbraw/zinc/94/98/85/536949885.db2.gz HKIWMEAZNOKHCM-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732813172 577193827 /nfs/dbraw/zinc/19/38/27/577193827.db2.gz IORITIVIVILFAB-ZDUSSCGKSA-N 1 0 345.321 2.232 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000733166158 577206166 /nfs/dbraw/zinc/20/61/66/577206166.db2.gz GAFVVZHFRDEPJD-AWEZNQCLSA-N 1 0 345.403 2.097 20 5 EEBDRO Cc1cc(N2CC[NH+](CCCCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000776293451 577457226 /nfs/dbraw/zinc/45/72/26/577457226.db2.gz ZFGXZEQPSJXWPA-UHFFFAOYSA-N 1 0 344.415 2.346 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C ZINC000766557177 577521556 /nfs/dbraw/zinc/52/15/56/577521556.db2.gz SZLBFHAQHNSPHZ-QWHCGFSZSA-N 1 0 334.420 2.216 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000770135603 577591025 /nfs/dbraw/zinc/59/10/25/577591025.db2.gz VWJAGSLFOOMNJI-QWRGUYRKSA-N 1 0 336.417 2.096 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754373757 577805278 /nfs/dbraw/zinc/80/52/78/577805278.db2.gz QFLIPUZGHOWHGZ-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744350432 577896599 /nfs/dbraw/zinc/89/65/99/577896599.db2.gz OOYZFEUPJXUKGQ-CYBMUJFWSA-N 1 0 330.388 2.150 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954788 577984700 /nfs/dbraw/zinc/98/47/00/577984700.db2.gz YPOSLJPHSCCDHC-AWEZNQCLSA-N 1 0 344.419 2.166 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724992 578123163 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334.420 2.483 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1nccs1 ZINC001022881322 678711965 /nfs/dbraw/zinc/71/19/65/678711965.db2.gz KXSUUSHAFRPFKM-AOOOYVTPSA-N 1 0 338.414 2.163 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]1 ZINC000841104295 681361809 /nfs/dbraw/zinc/36/18/09/681361809.db2.gz XDEDZVLNLPWHMK-CQSZACIVSA-N 1 0 342.783 2.138 20 5 EEBDRO Cc1ncoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983415677 682598229 /nfs/dbraw/zinc/59/82/29/682598229.db2.gz CKBHGXLOFPCWKI-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983529339 682776954 /nfs/dbraw/zinc/77/69/54/682776954.db2.gz QDSVWJRNQRPDTM-WKILWMFISA-N 1 0 343.383 2.415 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893186865 684094229 /nfs/dbraw/zinc/09/42/29/684094229.db2.gz HMZGDIODKKVVKS-KBPBESRZSA-N 1 0 334.420 2.482 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893186868 684094360 /nfs/dbraw/zinc/09/43/60/684094360.db2.gz HMZGDIODKKVVKS-ZIAGYGMSSA-N 1 0 334.420 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c2ccncc21 ZINC000895254852 684394558 /nfs/dbraw/zinc/39/45/58/684394558.db2.gz ZDYMZFBRIWXQLN-UHFFFAOYSA-N 1 0 344.371 2.004 20 5 EEBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330353 684505736 /nfs/dbraw/zinc/50/57/36/684505736.db2.gz LKEHNOQEQURIHV-PBHICJAKSA-N 1 0 332.356 2.172 20 5 EEBDRO CC(C)(C)C(=O)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990325510 692817710 /nfs/dbraw/zinc/81/77/10/692817710.db2.gz GKZCVFOCTMFPCH-UHFFFAOYSA-N 1 0 347.415 2.291 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC2CCSCC2)c1 ZINC000905703721 1189873803 /nfs/dbraw/zinc/87/38/03/1189873803.db2.gz JHIVIEFGGNDSKN-OAHLLOKOSA-N 1 0 326.418 2.130 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865540283 1198266701 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334.420 2.447 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879962451 1201325735 /nfs/dbraw/zinc/32/57/35/1201325735.db2.gz NGDHAKWIUBRONK-BBRMVZONSA-N 1 0 347.415 2.183 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000866351149 1201498025 /nfs/dbraw/zinc/49/80/25/1201498025.db2.gz NCAZOHKXAFGTFV-NSHDSACASA-N 1 0 344.408 2.222 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCCOC1 ZINC000866384414 1201504543 /nfs/dbraw/zinc/50/45/43/1201504543.db2.gz KXUNSWBURFPWJO-MLGOLLRUSA-N 1 0 326.368 2.186 20 5 EEBDRO O=C(OCCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000800101876 1202207693 /nfs/dbraw/zinc/20/76/93/1202207693.db2.gz YFKITSOIEUMIFP-UHFFFAOYSA-N 1 0 336.344 2.356 20 5 EEBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)c1ccccc1 ZINC000886186379 1202479895 /nfs/dbraw/zinc/47/98/95/1202479895.db2.gz XCAOCTKGUXPELD-HNNXBMFYSA-N 1 0 340.383 2.475 20 5 EEBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886194053 1202480231 /nfs/dbraw/zinc/48/02/31/1202480231.db2.gz ICHGACIEURVXOC-BBRMVZONSA-N 1 0 343.383 2.500 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095423860 1205734334 /nfs/dbraw/zinc/73/43/34/1205734334.db2.gz RXCQJFMIAIFNNL-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000926150190 1206198908 /nfs/dbraw/zinc/19/89/08/1206198908.db2.gz HFHRZXQIEIDZCZ-SNVBAGLBSA-N 1 0 332.809 2.118 20 5 EEBDRO CCOc1ccc(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000927705160 1206293277 /nfs/dbraw/zinc/29/32/77/1206293277.db2.gz BPOHXQNPEKBKIN-UHFFFAOYSA-N 1 0 344.371 2.385 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000777954338 1206604842 /nfs/dbraw/zinc/60/48/42/1206604842.db2.gz UJMIFGCDEWYMHO-UHFFFAOYSA-N 1 0 341.415 2.443 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704571 1207660831 /nfs/dbraw/zinc/66/08/31/1207660831.db2.gz LIVNTSLRUJVODT-DLBZAZTESA-N 1 0 331.416 2.499 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932901628 1207697288 /nfs/dbraw/zinc/69/72/88/1207697288.db2.gz ATLURFXDOAJNDH-JQFCIGGWSA-N 1 0 331.416 2.499 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000796531882 1221118081 /nfs/dbraw/zinc/11/80/81/1221118081.db2.gz MOSHWXJRSSIOPN-DLBZAZTESA-N 1 0 343.383 2.177 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599292 1227627336 /nfs/dbraw/zinc/62/73/36/1227627336.db2.gz ARWCVQKHPACQAX-INIZCTEOSA-N 1 0 328.372 2.210 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC001020021157 1229445359 /nfs/dbraw/zinc/44/53/59/1229445359.db2.gz KHSZEIKGJIASQO-SHTZXODSSA-N 1 0 331.372 2.026 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020117427 1229492667 /nfs/dbraw/zinc/49/26/67/1229492667.db2.gz QBHJMIMUEBDYGZ-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO CCc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001045437310 1233745106 /nfs/dbraw/zinc/74/51/06/1233745106.db2.gz NAZWVSIPXTXUGV-IAGOWNOFSA-N 1 0 345.443 2.385 20 5 EEBDRO CCCCC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096246571 1236617784 /nfs/dbraw/zinc/61/77/84/1236617784.db2.gz YPOKZKGZYNINHP-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001050517031 1243769416 /nfs/dbraw/zinc/76/94/16/1243769416.db2.gz NEZALHKAIJTYHI-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=[N+]([O-])c1cc(OS(=O)(=O)CCC[NH+]2CCCC2)ccc1Cl ZINC000867275417 1285200794 /nfs/dbraw/zinc/20/07/94/1285200794.db2.gz SUBDMXLSHURZIM-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO Cc1nsc(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001152707408 1286326621 /nfs/dbraw/zinc/32/66/21/1286326621.db2.gz YXRGLPJGWNFOGL-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000852076314 1291984206 /nfs/dbraw/zinc/98/42/06/1291984206.db2.gz RBTPDOYFWPHCET-KRWDZBQOSA-N 1 0 345.355 2.208 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc3c[nH+]cn32)n1 ZINC001217588708 1297467656 /nfs/dbraw/zinc/46/76/56/1297467656.db2.gz BEQMOFYHBOETFX-UHFFFAOYSA-N 1 0 326.247 2.494 20 5 EEBDRO CCOC(=O)c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001217978831 1297540781 /nfs/dbraw/zinc/54/07/81/1297540781.db2.gz RHQWDUJWTPHMMD-RISCZKNCSA-N 1 0 326.324 2.240 20 5 EEBDRO O=c1c2cc(O[C@H]3C[NH2+]CC[C@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001218318576 1297629119 /nfs/dbraw/zinc/62/91/19/1297629119.db2.gz AEMGOHYJDPENFS-HWPZZCPQSA-N 1 0 345.326 2.436 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(CN3CCN[C@H]4CC[NH2+]CC[C@@H]43)nc12 ZINC001222507092 1299644718 /nfs/dbraw/zinc/64/47/18/1299644718.db2.gz LIAMISBUSJKPJL-OALUTQOASA-N 1 0 347.466 2.309 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)cc(F)cc1Cl ZINC001226004999 1301231603 /nfs/dbraw/zinc/23/16/03/1301231603.db2.gz GHUVXAMPWXUVFE-SECBINFHSA-N 1 0 325.187 2.495 20 5 EEBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)n1 ZINC001229468548 1302797695 /nfs/dbraw/zinc/79/76/95/1302797695.db2.gz VQOOVLJVPYUCHW-VIFPVBQESA-N 1 0 332.218 2.104 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)c2c1ncn2C ZINC001234874466 1305043405 /nfs/dbraw/zinc/04/34/05/1305043405.db2.gz AYOHIFTYRYUUNZ-SECBINFHSA-N 1 0 328.234 2.204 20 5 EEBDRO Cc1ocnc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235000456 1305080148 /nfs/dbraw/zinc/08/01/48/1305080148.db2.gz MBCSCWBXNHTHPQ-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001116446911 1305885232 /nfs/dbraw/zinc/88/52/32/1305885232.db2.gz NGPGTOGXUCGQIS-UWVGGRQHSA-N 1 0 347.462 2.345 20 5 EEBDRO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001119381461 1309060817 /nfs/dbraw/zinc/06/08/17/1309060817.db2.gz UFKRHWGSLIKETD-SNVBAGLBSA-N 1 0 329.759 2.140 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@H]1CSCC[NH2+]1 ZINC001122082638 1310216709 /nfs/dbraw/zinc/21/67/09/1310216709.db2.gz JRMFBTQGUPVWCH-NSHDSACASA-N 1 0 343.836 2.002 20 5 EEBDRO C[C@@]1([NH3+])CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246527025 1310331899 /nfs/dbraw/zinc/33/18/99/1310331899.db2.gz CWTMVIXTDICBTA-MRXNPFEDSA-N 1 0 340.374 2.265 20 5 EEBDRO COCc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001162139102 1320761025 /nfs/dbraw/zinc/76/10/25/1320761025.db2.gz PJJNYEQVFDRZLH-UHFFFAOYSA-N 1 0 347.371 2.244 20 5 EEBDRO COC[C@]1(C)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840109257 1315297330 /nfs/dbraw/zinc/29/73/30/1315297330.db2.gz WIVVYLRLUWPWNA-MRXNPFEDSA-N 1 0 331.376 2.169 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474581 1315712315 /nfs/dbraw/zinc/71/23/15/1315712315.db2.gz AUDLCNJYMPCMDZ-LBPRGKRZSA-N 1 0 328.800 2.150 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000843377376 1315903880 /nfs/dbraw/zinc/90/38/80/1315903880.db2.gz PJXWXYHEHGIHSC-ZYHUDNBSSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843452049 1315917813 /nfs/dbraw/zinc/91/78/13/1315917813.db2.gz KQKUTDSQFSEJBX-OLZOCXBDSA-N 1 0 332.404 2.004 20 5 EEBDRO CN(C)c1ccccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153414289 1316825650 /nfs/dbraw/zinc/82/56/50/1316825650.db2.gz UFYROBXNUQJNCS-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO N=c1cc(C[NH3+])ccn1C(=O)c1cccc2nc3ccccc3nc21 ZINC001153870519 1316905735 /nfs/dbraw/zinc/90/57/35/1316905735.db2.gz GEMCHBRSQZMLSW-UHFFFAOYSA-N 1 0 329.363 2.211 20 5 EEBDRO COc1cc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC001249278650 1317041177 /nfs/dbraw/zinc/04/11/77/1317041177.db2.gz LLXLBNBWTFNEGE-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155116653 1317463801 /nfs/dbraw/zinc/46/38/01/1317463801.db2.gz LBIUTOQWYKUBJA-OAHLLOKOSA-N 1 0 340.355 2.060 20 5 EEBDRO COc1ncnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001155993403 1317820357 /nfs/dbraw/zinc/82/03/57/1317820357.db2.gz KGJIUXCTRUZAPE-UHFFFAOYSA-N 1 0 333.735 2.449 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001254530790 1318108507 /nfs/dbraw/zinc/10/85/07/1318108507.db2.gz BDVKHUVSJCCYQA-DZGCQCFKSA-N 1 0 327.388 2.184 20 5 EEBDRO O=C(NCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001254573849 1318127736 /nfs/dbraw/zinc/12/77/36/1318127736.db2.gz CYJRHZIIYYZUGI-INIZCTEOSA-N 1 0 343.358 2.221 20 5 EEBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580735 1318130606 /nfs/dbraw/zinc/13/06/06/1318130606.db2.gz FBWCHOTVTYCMOH-KRWDZBQOSA-N 1 0 339.395 2.310 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583799 1318132122 /nfs/dbraw/zinc/13/21/22/1318132122.db2.gz DGAOJCNHRWUCGA-SFHVURJKSA-N 1 0 338.411 2.407 20 5 EEBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586472 1318134638 /nfs/dbraw/zinc/13/46/38/1318134638.db2.gz JXPQASMRTCJHOL-CYBMUJFWSA-N 1 0 329.356 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OC3COC3)n1)C2 ZINC001254586159 1318134917 /nfs/dbraw/zinc/13/49/17/1318134917.db2.gz HUTLAJFQVXLWMI-OAHLLOKOSA-N 1 0 341.367 2.024 20 5 EEBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594579 1318137104 /nfs/dbraw/zinc/13/71/04/1318137104.db2.gz GEMHRGRNYAHOEP-SJLPKXTDSA-N 1 0 329.400 2.197 20 5 EEBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597468 1318139019 /nfs/dbraw/zinc/13/90/19/1318139019.db2.gz DYENLKUMCDRLJU-IRXDYDNUSA-N 1 0 331.416 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ncccn1)C1CC[NH2+]CC1)C2 ZINC001254603816 1318140025 /nfs/dbraw/zinc/14/00/25/1318140025.db2.gz QYMVAWGHUVCPAU-QGZVFWFLSA-N 1 0 339.399 2.111 20 5 EEBDRO CCOC(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611790 1318145992 /nfs/dbraw/zinc/14/59/92/1318145992.db2.gz SYOYEUVXQGUKNK-INIZCTEOSA-N 1 0 333.388 2.273 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001156915802 1318285204 /nfs/dbraw/zinc/28/52/04/1318285204.db2.gz KWSISKNNRBISHH-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO C[NH+]1CC(CNc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001159222426 1319688290 /nfs/dbraw/zinc/68/82/90/1319688290.db2.gz MIJLEEBCWUUQFC-UHFFFAOYSA-N 1 0 325.678 2.031 20 5 EEBDRO COc1ncc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159567430 1319893398 /nfs/dbraw/zinc/89/33/98/1319893398.db2.gz BTAABJUGOBSVAN-UHFFFAOYSA-N 1 0 343.387 2.147 20 5 EEBDRO Cc1cccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001160097916 1320069953 /nfs/dbraw/zinc/06/99/53/1320069953.db2.gz PSGBBVUPKLNQMV-QZTJIDSGSA-N 1 0 343.427 2.299 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160735566 1320253636 /nfs/dbraw/zinc/25/36/36/1320253636.db2.gz GVJSRFVSTCJPCS-RQJHMYQMSA-N 1 0 339.705 2.299 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001162465021 1320864325 /nfs/dbraw/zinc/86/43/25/1320864325.db2.gz BEOUKFIESGCCLO-TZMCWYRMSA-N 1 0 335.404 2.358 20 5 EEBDRO CS(=O)(=O)c1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162854487 1320975101 /nfs/dbraw/zinc/97/51/01/1320975101.db2.gz UJIZWCNUSFFYBN-LBPRGKRZSA-N 1 0 347.396 2.020 20 5 EEBDRO COc1c(F)cccc1[C@@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163340429 1321101843 /nfs/dbraw/zinc/10/18/43/1321101843.db2.gz HVWYHNXNBYFRQK-SECBINFHSA-N 1 0 347.350 2.392 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001163367003 1321106453 /nfs/dbraw/zinc/10/64/53/1321106453.db2.gz XNDSRKQNEWPLDY-MNOVXSKESA-N 1 0 328.800 2.412 20 5 EEBDRO COC(=O)c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc([N+](=O)[O-])c1 ZINC001163650101 1321181265 /nfs/dbraw/zinc/18/12/65/1321181265.db2.gz KGKAJYSDUNTBDC-DOTOQJQBSA-N 1 0 349.387 2.095 20 5 EEBDRO Cc1nccn1CCNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001163928360 1321249717 /nfs/dbraw/zinc/24/97/17/1321249717.db2.gz IGHWKWZUWKTACD-UHFFFAOYSA-N 1 0 333.392 2.152 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001164494327 1321395927 /nfs/dbraw/zinc/39/59/27/1321395927.db2.gz GBWUEWNNLARGSH-GDBMZVCRSA-N 1 0 349.406 2.175 20 5 EEBDRO COc1nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164608322 1321433648 /nfs/dbraw/zinc/43/36/48/1321433648.db2.gz QHVZSWIHQUDSFA-CQSZACIVSA-N 1 0 328.372 2.019 20 5 EEBDRO COCCC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165096295 1321453692 /nfs/dbraw/zinc/45/36/92/1321453692.db2.gz GLBHMUGZJIFXIP-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001165132123 1321462429 /nfs/dbraw/zinc/46/24/29/1321462429.db2.gz NGASXJLLTKJITO-UHFFFAOYSA-N 1 0 340.811 2.334 20 5 EEBDRO CCc1nocc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001166121337 1321657620 /nfs/dbraw/zinc/65/76/20/1321657620.db2.gz QLRVFQNGGJPCKK-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3ccoc3)c2)CC1 ZINC001262812099 1322379791 /nfs/dbraw/zinc/37/97/91/1322379791.db2.gz KPXWIYOLBQTSGM-UHFFFAOYSA-N 1 0 344.371 2.121 20 5 EEBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001263333979 1322463663 /nfs/dbraw/zinc/46/36/63/1322463663.db2.gz WZODWKPZSHXVJK-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO CC(C)(C)[NH+]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001317895183 1332442190 /nfs/dbraw/zinc/44/21/90/1332442190.db2.gz QMAHCURNYBLTNW-UHFFFAOYSA-N 1 0 344.419 2.227 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318433220 1332533405 /nfs/dbraw/zinc/53/34/05/1332533405.db2.gz GIOGJVDBRNXBKS-ZIAGYGMSSA-N 1 0 341.433 2.054 20 5 EEBDRO CNc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320495062 1332897277 /nfs/dbraw/zinc/89/72/77/1332897277.db2.gz DZOBPXATTSROQX-GFCCVEGCSA-N 1 0 329.360 2.496 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CC=CC1 ZINC001322270561 1333239540 /nfs/dbraw/zinc/23/95/40/1333239540.db2.gz YUALFCBPHHDBDQ-NSHDSACASA-N 1 0 339.779 2.004 20 5 EEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001327601168 1334320488 /nfs/dbraw/zinc/32/04/88/1334320488.db2.gz HKCYBLZLSIXNJM-CQSZACIVSA-N 1 0 343.305 2.022 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC001327616057 1334322874 /nfs/dbraw/zinc/32/28/74/1334322874.db2.gz HVHLYDLXNQVFKB-LLVKDONJSA-N 1 0 331.376 2.387 20 5 EEBDRO CC(C)(C)[NH2+]CCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333118342 1335965573 /nfs/dbraw/zinc/96/55/73/1335965573.db2.gz RGPNFUBIBHXSQX-UHFFFAOYSA-N 1 0 348.447 2.017 20 5 EEBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001337363542 1336690159 /nfs/dbraw/zinc/69/01/59/1336690159.db2.gz QVFHOHACHYAVJT-OAHLLOKOSA-N 1 0 344.415 2.019 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001577396756 1344140788 /nfs/dbraw/zinc/14/07/88/1344140788.db2.gz DUHCRWUYGPIKNP-ZETCQYMHSA-N 1 0 332.763 2.217 20 5 EEBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC(C)(C)C[NH2+]2)c1[N+](=O)[O-] ZINC001578852903 1344309064 /nfs/dbraw/zinc/30/90/64/1344309064.db2.gz GGMMQRQYMSMPHL-NSHDSACASA-N 1 0 336.392 2.275 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC001579642866 1344402336 /nfs/dbraw/zinc/40/23/36/1344402336.db2.gz ZQHKHBGCOHYRHI-JOCQHMNTSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001580769799 1344556826 /nfs/dbraw/zinc/55/68/26/1344556826.db2.gz CRYKQFKJOYMCLR-UHFFFAOYSA-N 1 0 341.352 2.455 20 5 EEBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001580815533 1344562661 /nfs/dbraw/zinc/56/26/61/1344562661.db2.gz KABMXPXDSWJUGN-MNOVXSKESA-N 1 0 341.314 2.163 20 5 EEBDRO CC(C)CO[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589640452 1349014420 /nfs/dbraw/zinc/01/44/20/1349014420.db2.gz NBEMDKOUELZPDA-LBPRGKRZSA-N 1 0 346.391 2.022 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603894776 1350796394 /nfs/dbraw/zinc/79/63/94/1350796394.db2.gz ISNBWWMIRRFLTQ-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604740203 1350995292 /nfs/dbraw/zinc/99/52/92/1350995292.db2.gz SYRRAIKIPNUDIO-ZDUSSCGKSA-N 1 0 345.407 2.086 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000852713826 1369296142 /nfs/dbraw/zinc/29/61/42/1369296142.db2.gz PIGSANPMJSMICK-CVEARBPZSA-N 1 0 338.310 2.230 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000794625673 1369589944 /nfs/dbraw/zinc/58/99/44/1369589944.db2.gz JPQOWIBPQSHLTK-CYBMUJFWSA-N 1 0 346.387 2.020 20 5 EEBDRO O=C1C[C@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000864350412 1369595214 /nfs/dbraw/zinc/59/52/14/1369595214.db2.gz DGTWGMBMSFFCOS-ZENOOKHLSA-N 1 0 341.367 2.125 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111842659 1371268630 /nfs/dbraw/zinc/26/86/30/1371268630.db2.gz SDGVCJQXMFPGFR-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCOC1 ZINC000782477859 1371300410 /nfs/dbraw/zinc/30/04/10/1371300410.db2.gz BRXRSRPCNLBUPJ-LBPRGKRZSA-N 1 0 339.367 2.421 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001117300664 1371748049 /nfs/dbraw/zinc/74/80/49/1371748049.db2.gz JXZMJXFGXGNMAN-UHFFFAOYSA-N 1 0 327.388 2.444 20 5 EEBDRO C[NH+](C)CCc1ccccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830648176 1372337981 /nfs/dbraw/zinc/33/79/81/1372337981.db2.gz AHFWUESNWRHRRB-QGZVFWFLSA-N 1 0 343.383 2.371 20 5 EEBDRO CC[NH2+]Cc1ccccc1NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC001577878469 1403691000 /nfs/dbraw/zinc/69/10/00/1403691000.db2.gz SJGMSBNLLUDAMX-UHFFFAOYSA-N 1 0 329.360 2.393 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001580268768 1403855795 /nfs/dbraw/zinc/85/57/95/1403855795.db2.gz MXTBKZBJSDSBGF-GZMMTYOYSA-N 1 0 332.282 2.196 20 5 EEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1[N+](=O)[O-] ZINC000173516136 765586817 /nfs/dbraw/zinc/58/68/17/765586817.db2.gz PHLXWJRNCIMKAZ-MRXNPFEDSA-N 1 0 329.404 2.203 20 5 EEBDRO C[NH+]1CCC2(CCCN(c3ccc4nonc4c3[N+](=O)[O-])C2)CC1 ZINC000893669429 778599220 /nfs/dbraw/zinc/59/92/20/778599220.db2.gz YCJLQCVRUUGTTL-UHFFFAOYSA-N 1 0 331.376 2.443 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000846946707 790764690 /nfs/dbraw/zinc/76/46/90/790764690.db2.gz VCUCCHDEGJEMLC-UHFFFAOYSA-N 1 0 325.384 2.059 20 5 EEBDRO C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001091486483 790976459 /nfs/dbraw/zinc/97/64/59/790976459.db2.gz UWILPRJFQLULKW-CTYIDZIISA-N 1 0 346.431 2.386 20 5 EEBDRO CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186419 784024404 /nfs/dbraw/zinc/02/44/04/784024404.db2.gz DKRXKYWIIJRSGC-HZPDHXFCSA-N 1 0 337.464 2.402 20 5 EEBDRO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091502869 790993694 /nfs/dbraw/zinc/99/36/94/790993694.db2.gz FAQYVMAXWIETRA-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001091512321 791028281 /nfs/dbraw/zinc/02/82/81/791028281.db2.gz LTESXRHBPGAJRV-CTYIDZIISA-N 1 0 334.420 2.162 20 5 EEBDRO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC000997771463 791041513 /nfs/dbraw/zinc/04/15/13/791041513.db2.gz HSSPQQDMEIAGGQ-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001035704805 784985600 /nfs/dbraw/zinc/98/56/00/784985600.db2.gz ZQCRVXPZENAZCK-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1c[nH]cc1C1CC1 ZINC001136071753 785099352 /nfs/dbraw/zinc/09/93/52/785099352.db2.gz NDIONKNAKCWBMS-UHFFFAOYSA-N 1 0 334.401 2.381 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019919 785145644 /nfs/dbraw/zinc/14/56/44/785145644.db2.gz MSYVHMVHYDPVLL-OAHLLOKOSA-N 1 0 341.770 2.284 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818560219 785291934 /nfs/dbraw/zinc/29/19/34/785291934.db2.gz DSGFBAXKTLYJDF-MFKMUULPSA-N 1 0 336.348 2.153 20 5 EEBDRO COCCOc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818956957 785343591 /nfs/dbraw/zinc/34/35/91/785343591.db2.gz CTGRJYCKMCJHCS-SFHVURJKSA-N 1 0 346.383 2.443 20 5 EEBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819015853 785382938 /nfs/dbraw/zinc/38/29/38/785382938.db2.gz BQPFEDOVKYRRDC-SFHVURJKSA-N 1 0 343.383 2.419 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000819338845 785512458 /nfs/dbraw/zinc/51/24/58/785512458.db2.gz CICJTSALJOXZNC-MSOLQXFVSA-N 1 0 330.384 2.476 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000996429207 786395859 /nfs/dbraw/zinc/39/58/59/786395859.db2.gz MBOVCODYASXVJQ-VXGBXAGGSA-N 1 0 343.836 2.147 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000823305692 787663952 /nfs/dbraw/zinc/66/39/52/787663952.db2.gz MIEIMGMMOPSYHL-INIZCTEOSA-N 1 0 345.403 2.301 20 5 EEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@](C)(O)c1ccccc1 ZINC000823605376 787829840 /nfs/dbraw/zinc/82/98/40/787829840.db2.gz JPSGNARKVXQPAO-QZTJIDSGSA-N 1 0 330.384 2.468 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000824494768 788190935 /nfs/dbraw/zinc/19/09/35/788190935.db2.gz ORGUTPQYGXSYKQ-KRWDZBQOSA-N 1 0 343.383 2.006 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825368274 788595029 /nfs/dbraw/zinc/59/50/29/788595029.db2.gz SYKYBSOILDVFFZ-OAHLLOKOSA-N 1 0 335.404 2.007 20 5 EEBDRO C[C@@H]1CCC[C@](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000825384008 788601877 /nfs/dbraw/zinc/60/18/77/788601877.db2.gz FFVVAWYECSHUHZ-QBIMZIAESA-N 1 0 349.431 2.255 20 5 EEBDRO Cc1c[nH]c(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000997080689 788695562 /nfs/dbraw/zinc/69/55/62/788695562.db2.gz TUZUOOJPUSOKML-UHFFFAOYSA-N 1 0 349.416 2.082 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000923308293 789334299 /nfs/dbraw/zinc/33/42/99/789334299.db2.gz BKWRCTCAAKXKSC-DOTOQJQBSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515681 789702955 /nfs/dbraw/zinc/70/29/55/789702955.db2.gz KBDQLHBBAGHDMI-CMPLNLGQSA-N 1 0 340.221 2.399 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000845481992 789825290 /nfs/dbraw/zinc/82/52/90/789825290.db2.gz DRLSUFYYJDEMQO-DOMZBBRYSA-N 1 0 343.786 2.423 20 5 EEBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000845770236 789938454 /nfs/dbraw/zinc/93/84/54/789938454.db2.gz SFIIZCNFAIRUSJ-UHFFFAOYSA-N 1 0 348.403 2.474 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC001148536588 792511758 /nfs/dbraw/zinc/51/17/58/792511758.db2.gz BASIJGFFPCBZCD-UHFFFAOYSA-N 1 0 339.339 2.451 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915801081 796414689 /nfs/dbraw/zinc/41/46/89/796414689.db2.gz WNPBJBCBMFZETE-UHFFFAOYSA-N 1 0 332.360 2.279 20 5 EEBDRO CC(C)N1C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172902134 797130256 /nfs/dbraw/zinc/13/02/56/797130256.db2.gz VTEVGJFEXKSGGI-CVEARBPZSA-N 1 0 331.416 2.441 20 5 EEBDRO O=C1NC[C@]2(CCC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172922501 797153209 /nfs/dbraw/zinc/15/32/09/797153209.db2.gz YGTWFGAHXXOYFR-YJBOKZPZSA-N 1 0 345.399 2.417 20 5 EEBDRO CCOC(=O)[C@H](C)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181497 797279693 /nfs/dbraw/zinc/27/96/93/797279693.db2.gz FAAGBYNTULUMJR-MNOVXSKESA-N 1 0 342.367 2.462 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001173228871 797311144 /nfs/dbraw/zinc/31/11/44/797311144.db2.gz LBZYSQGUXMFQET-LRDDRELGSA-N 1 0 349.431 2.127 20 5 EEBDRO Cc1ocnc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002423814 798059650 /nfs/dbraw/zinc/05/96/50/798059650.db2.gz MWWXBHKGMXNSJS-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1=COCCC1 ZINC001002450261 798104772 /nfs/dbraw/zinc/10/47/72/798104772.db2.gz CTNCKPUZXAYUON-UHFFFAOYSA-N 1 0 345.399 2.370 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001110191252 798280684 /nfs/dbraw/zinc/28/06/84/798280684.db2.gz MJQUQWJZTUKUSC-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000786156686 806700398 /nfs/dbraw/zinc/70/03/98/806700398.db2.gz KIFVUWQSNWMZSP-UHFFFAOYSA-N 1 0 347.415 2.279 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000027763335 798959661 /nfs/dbraw/zinc/95/96/61/798959661.db2.gz UIZBNCAULSUQMU-LLVKDONJSA-N 1 0 336.348 2.107 20 5 EEBDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922464348 801116302 /nfs/dbraw/zinc/11/63/02/801116302.db2.gz XEQZFGWSBMAFHN-UHFFFAOYSA-N 1 0 341.367 2.106 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC001086012911 801931640 /nfs/dbraw/zinc/93/16/40/801931640.db2.gz VZRVECMNPMVOEY-OKILXGFUSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC001086117601 802210973 /nfs/dbraw/zinc/21/09/73/802210973.db2.gz UVGCXPAABSWBPP-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086334805 802772733 /nfs/dbraw/zinc/77/27/33/802772733.db2.gz NTGQDTCAVYCPJU-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168981208 803544901 /nfs/dbraw/zinc/54/49/01/803544901.db2.gz GUADPNAPTDWSSK-KBPBESRZSA-N 1 0 326.418 2.015 20 5 EEBDRO O=C1NCCCN1c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168998042 803564071 /nfs/dbraw/zinc/56/40/71/803564071.db2.gz HPEDBGMFZLNJEG-LSDHHAIUSA-N 1 0 332.404 2.141 20 5 EEBDRO O=C1Nc2ccccc2C12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169011306 803571359 /nfs/dbraw/zinc/57/13/59/803571359.db2.gz JPQWFWLRYVKSNL-ZIAGYGMSSA-N 1 0 329.400 2.418 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035948 803580001 /nfs/dbraw/zinc/58/00/01/803580001.db2.gz MIHLKVRDVIHEOO-GJZGRUSLSA-N 1 0 347.415 2.025 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)C1 ZINC001169037204 803580841 /nfs/dbraw/zinc/58/08/41/803580841.db2.gz RCAYFFBESWBSJF-ZIAGYGMSSA-N 1 0 329.404 2.064 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037538 803581449 /nfs/dbraw/zinc/58/14/49/803581449.db2.gz SBUBPQQEXPUUDO-SYQHCUMBSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)C1 ZINC001169020071 803587535 /nfs/dbraw/zinc/58/75/35/803587535.db2.gz IBJZXWWEFGYFAW-JLOCXQCDSA-N 1 0 347.415 2.138 20 5 EEBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001169068473 803602449 /nfs/dbraw/zinc/60/24/49/803602449.db2.gz YWXZPZJXGVGMGE-UHFFFAOYSA-N 1 0 333.344 2.106 20 5 EEBDRO O=[N+]([O-])c1c(NCc2ncn3c2C[NH2+]CCC3)ccc2cnccc21 ZINC001169242731 803666931 /nfs/dbraw/zinc/66/69/31/803666931.db2.gz WTENXLKWZBKUNJ-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169710886 803983286 /nfs/dbraw/zinc/98/32/86/803983286.db2.gz SCYZONMXFSVMSZ-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157262737 807177191 /nfs/dbraw/zinc/17/71/91/807177191.db2.gz YCCGSDUVJNYWFP-BDAKNGLRSA-N 1 0 343.840 2.291 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000788043567 807343730 /nfs/dbraw/zinc/34/37/30/807343730.db2.gz VDBDHKWKDYHVRF-CYBMUJFWSA-N 1 0 347.371 2.342 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000788959212 807773798 /nfs/dbraw/zinc/77/37/98/807773798.db2.gz SFAWKDMFRHTBMM-LBPRGKRZSA-N 1 0 348.355 2.460 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000791315647 809193655 /nfs/dbraw/zinc/19/36/55/809193655.db2.gz JGLRYYYOKJFLSQ-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC001170277555 809876075 /nfs/dbraw/zinc/87/60/75/809876075.db2.gz QKFZMDROOGQRNV-MGPQQGTHSA-N 1 0 329.784 2.385 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170317732 809888249 /nfs/dbraw/zinc/88/82/49/809888249.db2.gz KLLDPWMVDUCNRE-GFCCVEGCSA-N 1 0 337.420 2.429 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc3n(n2)CCCO3)c([N+](=O)[O-])c1 ZINC001170328710 809893300 /nfs/dbraw/zinc/89/33/00/809893300.db2.gz LQHAUCCTYAILDL-LBPRGKRZSA-N 1 0 346.387 2.303 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000792881640 810052189 /nfs/dbraw/zinc/05/21/89/810052189.db2.gz MZVIEFNQDZYUMN-GFCCVEGCSA-N 1 0 329.312 2.466 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000174877510 231333045 /nfs/dbraw/zinc/33/30/45/231333045.db2.gz GMPMXSDTHIRBEN-MRXNPFEDSA-N 1 0 330.388 2.330 20 5 EEBDRO C[NH2+]CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000237115654 290669761 /nfs/dbraw/zinc/66/97/61/290669761.db2.gz GHZIPLWPOCLVTI-CHWSQXEVSA-N 1 0 334.420 2.026 20 5 EEBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(O)CCOCC1 ZINC000189752346 530018893 /nfs/dbraw/zinc/01/88/93/530018893.db2.gz SLDDZWHGEQAKJQ-UHFFFAOYSA-N 1 0 347.371 2.223 20 5 EEBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000103133670 219259990 /nfs/dbraw/zinc/25/99/90/219259990.db2.gz UZDMFXIPRXCUPF-OAHLLOKOSA-N 1 0 343.383 2.482 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000068806359 215335218 /nfs/dbraw/zinc/33/52/18/215335218.db2.gz MCNIEKTVNZHQMS-LLVKDONJSA-N 1 0 343.225 2.015 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000183473595 235098018 /nfs/dbraw/zinc/09/80/18/235098018.db2.gz ICSUYOGSBCUPEE-GFCCVEGCSA-N 1 0 327.768 2.201 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237930768 283467741 /nfs/dbraw/zinc/46/77/41/283467741.db2.gz CPDFLYJNYJWXTC-BLLLJJGKSA-N 1 0 343.387 2.028 20 5 EEBDRO Cc1cc(OCC(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000074375031 216481010 /nfs/dbraw/zinc/48/10/10/216481010.db2.gz CWMBUNMFXZVIND-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820097 240642679 /nfs/dbraw/zinc/64/26/79/240642679.db2.gz BNQLHKDWVRKCQE-HUUCEWRRSA-N 1 0 332.404 2.172 20 5 EEBDRO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000194774310 240711829 /nfs/dbraw/zinc/71/18/29/240711829.db2.gz SQKOKIITAQCQDF-NSHDSACASA-N 1 0 347.824 2.044 20 5 EEBDRO CCn1nc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000425992498 241194795 /nfs/dbraw/zinc/19/47/95/241194795.db2.gz DTRFJOTYNYBLFX-UHFFFAOYSA-N 1 0 332.408 2.462 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@H]1O ZINC000426230411 241243121 /nfs/dbraw/zinc/24/31/21/241243121.db2.gz LPJAURIWSUPRMZ-UKRRQHHQSA-N 1 0 349.387 2.128 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC[NH3+])CC1 ZINC000236731945 242337496 /nfs/dbraw/zinc/33/74/96/242337496.db2.gz FSAHGMLPEKAERE-UHFFFAOYSA-N 1 0 334.420 2.300 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451699292 243209806 /nfs/dbraw/zinc/20/98/06/243209806.db2.gz UUEXONUFHOWALS-APIJFGDWSA-N 1 0 347.415 2.405 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000077930681 217001889 /nfs/dbraw/zinc/00/18/89/217001889.db2.gz JVVBVFVCSVRSHV-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO Cc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000262762621 245166962 /nfs/dbraw/zinc/16/69/62/245166962.db2.gz KUDHFKHGEUCWBD-CYBMUJFWSA-N 1 0 329.360 2.277 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+](C)CCn2cccn2)cccc1[N+](=O)[O-] ZINC000111280593 220133821 /nfs/dbraw/zinc/13/38/21/220133821.db2.gz DSJWENMXDCJGIU-UHFFFAOYSA-N 1 0 331.376 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000266015770 248032070 /nfs/dbraw/zinc/03/20/70/248032070.db2.gz KKXGWCHHSZMYKJ-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000266078504 248081537 /nfs/dbraw/zinc/08/15/37/248081537.db2.gz XWTOTKRDWISLJS-CYBMUJFWSA-N 1 0 336.344 2.337 20 5 EEBDRO Cc1cnc(NC2CC[NH+](C3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000266179585 248151956 /nfs/dbraw/zinc/15/19/56/248151956.db2.gz BSFPQVNVDNRCGL-UHFFFAOYSA-N 1 0 333.436 2.269 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000270363889 256127873 /nfs/dbraw/zinc/12/78/73/256127873.db2.gz HQQOYSNQTSIDHK-UHFFFAOYSA-N 1 0 331.376 2.259 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000118827221 221190275 /nfs/dbraw/zinc/19/02/75/221190275.db2.gz KQUHOPWOOAJZSY-UHFFFAOYSA-N 1 0 340.811 2.214 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1cnccn1 ZINC000271351695 256235572 /nfs/dbraw/zinc/23/55/72/256235572.db2.gz OQPCAEQJGLFNPL-UHFFFAOYSA-N 1 0 343.387 2.196 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000273179317 256273576 /nfs/dbraw/zinc/27/35/76/256273576.db2.gz DPKJSFIJHQRHKU-AWEZNQCLSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273948106 256340864 /nfs/dbraw/zinc/34/08/64/256340864.db2.gz MLIZOSDSVBPPIL-LBPRGKRZSA-N 1 0 328.376 2.417 20 5 EEBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273489220 256300721 /nfs/dbraw/zinc/30/07/21/256300721.db2.gz KJNISLCSKBLKPS-HOTGVXAUSA-N 1 0 349.456 2.176 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000275829859 256383364 /nfs/dbraw/zinc/38/33/64/256383364.db2.gz YFRRCCUWJQYJIM-LLVKDONJSA-N 1 0 334.376 2.375 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1([NH+](C)C)CCC1 ZINC000186992230 533328853 /nfs/dbraw/zinc/32/88/53/533328853.db2.gz OBHGPJRPBNDUNG-ZDUSSCGKSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000191839206 533511186 /nfs/dbraw/zinc/51/11/86/533511186.db2.gz FXAFZBXUFIFDIK-CYBMUJFWSA-N 1 0 335.404 2.326 20 5 EEBDRO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352229098 153014916 /nfs/dbraw/zinc/01/49/16/153014916.db2.gz CWUYAYVKUBNDLY-SECBINFHSA-N 1 0 334.319 2.408 20 5 EEBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000355858755 153174102 /nfs/dbraw/zinc/17/41/02/153174102.db2.gz XODWIJIYZJOBQM-UHFFFAOYSA-N 1 0 335.408 2.094 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000072858465 159046662 /nfs/dbraw/zinc/04/66/62/159046662.db2.gz VQSFRVBPECHOOB-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCCO)C1CC1 ZINC000118844301 159368038 /nfs/dbraw/zinc/36/80/38/159368038.db2.gz GGFAVRVNFXAHSD-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO COC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000190164911 160155912 /nfs/dbraw/zinc/15/59/12/160155912.db2.gz QIKBDARGUDSHBV-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000342116704 161040783 /nfs/dbraw/zinc/04/07/83/161040783.db2.gz YPGHKTKJYGZTJJ-BPLDGKMQSA-N 1 0 343.387 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3COCCO3)cs2)c1 ZINC000343428386 161135403 /nfs/dbraw/zinc/13/54/03/161135403.db2.gz MAQDOVCRPUEJQF-CQSZACIVSA-N 1 0 335.385 2.223 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344132118 161200941 /nfs/dbraw/zinc/20/09/41/161200941.db2.gz OSPGPMWPLZFMIE-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000345043620 161266349 /nfs/dbraw/zinc/26/63/49/161266349.db2.gz JHRRCOZRSYIPIA-MDWZMJQESA-N 1 0 338.429 2.413 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352772544 162280542 /nfs/dbraw/zinc/28/05/42/162280542.db2.gz QZMBIIHCILBYDR-UHFFFAOYSA-N 1 0 348.428 2.454 20 5 EEBDRO COc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981485 163040224 /nfs/dbraw/zinc/04/02/24/163040224.db2.gz OHXVIBUUCPFECT-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547611 165180880 /nfs/dbraw/zinc/18/08/80/165180880.db2.gz RTLLHYXKCAQMDG-KRWDZBQOSA-N 1 0 332.448 2.115 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364801837 165279721 /nfs/dbraw/zinc/27/97/21/165279721.db2.gz PVBUPLYGXGCTBA-LSDHHAIUSA-N 1 0 347.415 2.311 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000374380945 167029885 /nfs/dbraw/zinc/02/98/85/167029885.db2.gz POUVDYBDMMSXEN-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO Cn1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000408449651 167794722 /nfs/dbraw/zinc/79/47/22/167794722.db2.gz ATNMYDMLSABSQI-TZMCWYRMSA-N 1 0 332.404 2.022 20 5 EEBDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000122486618 222098325 /nfs/dbraw/zinc/09/83/25/222098325.db2.gz RWNDGKQPUMXPML-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000269462309 268685223 /nfs/dbraw/zinc/68/52/23/268685223.db2.gz SKKZCSRNCVFHLM-GFCCVEGCSA-N 1 0 337.424 2.292 20 5 EEBDRO COC[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000272722579 269012954 /nfs/dbraw/zinc/01/29/54/269012954.db2.gz XTOOQEQGMXQDTJ-AWEZNQCLSA-N 1 0 337.401 2.469 20 5 EEBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000275532488 269121916 /nfs/dbraw/zinc/12/19/16/269121916.db2.gz MAOVGGTVIWHZCC-BBRMVZONSA-N 1 0 346.387 2.440 20 5 EEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000277443012 269156689 /nfs/dbraw/zinc/15/66/89/269156689.db2.gz FQBGEDRPLNZUIC-CYBMUJFWSA-N 1 0 347.371 2.070 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000277530741 269160550 /nfs/dbraw/zinc/16/05/50/269160550.db2.gz MLYLAQRYOBYOER-CYBMUJFWSA-N 1 0 332.404 2.232 20 5 EEBDRO CC(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCN(C)CC1 ZINC000278500836 269234534 /nfs/dbraw/zinc/23/45/34/269234534.db2.gz XDUIMLPMSOKOFM-QGZVFWFLSA-N 1 0 347.463 2.247 20 5 EEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280656280 269383022 /nfs/dbraw/zinc/38/30/22/269383022.db2.gz ZODRLKYIBKMQCB-DLBZAZTESA-N 1 0 343.383 2.177 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272342123 274167645 /nfs/dbraw/zinc/16/76/45/274167645.db2.gz NHVFKXRYWKVRFK-WDEREUQCSA-N 1 0 349.416 2.202 20 5 EEBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000163953344 274304837 /nfs/dbraw/zinc/30/48/37/274304837.db2.gz LKFUVFRHKOBTEA-BDAKNGLRSA-N 1 0 329.198 2.173 20 5 EEBDRO CCOC1CC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000277651242 274321020 /nfs/dbraw/zinc/32/10/20/274321020.db2.gz FPWRRKLHCAQMPV-UHFFFAOYSA-N 1 0 346.330 2.216 20 5 EEBDRO CC1CC[NH+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280986096 274619143 /nfs/dbraw/zinc/61/91/43/274619143.db2.gz NUXIJFWCSLCIJF-UHFFFAOYSA-N 1 0 331.376 2.387 20 5 EEBDRO CC(=O)c1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000287922926 275006186 /nfs/dbraw/zinc/00/61/86/275006186.db2.gz WRTPGPSSDZZFRS-CYBMUJFWSA-N 1 0 347.415 2.487 20 5 EEBDRO CS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290831586 275244324 /nfs/dbraw/zinc/24/43/24/275244324.db2.gz HZJNBUSHPFXUIS-UHFFFAOYSA-N 1 0 341.216 2.426 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000291538437 275315400 /nfs/dbraw/zinc/31/54/00/275315400.db2.gz LOEDTROVYXVHGE-GFCCVEGCSA-N 1 0 341.383 2.349 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000291790415 275340417 /nfs/dbraw/zinc/34/04/17/275340417.db2.gz GKRZAKYLLDPTSZ-SECBINFHSA-N 1 0 337.405 2.058 20 5 EEBDRO CC(C)([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292147824 275384299 /nfs/dbraw/zinc/38/42/99/275384299.db2.gz NDRNPZKDZURLEV-LBPRGKRZSA-N 1 0 326.418 2.244 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292332783 275413132 /nfs/dbraw/zinc/41/31/32/275413132.db2.gz JWKASDPTEIUPIK-VIFPVBQESA-N 1 0 344.209 2.285 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1cc(C)c([N+](=O)[O-])cc1F ZINC000292548831 275445877 /nfs/dbraw/zinc/44/58/77/275445877.db2.gz IRZKFFCIAWZOGM-UHFFFAOYSA-N 1 0 325.369 2.306 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414343117 276387595 /nfs/dbraw/zinc/38/75/95/276387595.db2.gz QIDRQKHCSCZYDA-ZDUSSCGKSA-N 1 0 328.434 2.330 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262820402 278915287 /nfs/dbraw/zinc/91/52/87/278915287.db2.gz GTLNBWQJPCXBOQ-OCCSQVGLSA-N 1 0 332.404 2.065 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293247656 293161546 /nfs/dbraw/zinc/16/15/46/293161546.db2.gz FPQXYQXXHNCCJV-CJNGLKHVSA-N 1 0 344.415 2.019 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293364499 293191136 /nfs/dbraw/zinc/19/11/36/293191136.db2.gz IPVCJVSFYXAIDU-BETUJISGSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)[N@H+]1C ZINC000294087373 293367740 /nfs/dbraw/zinc/36/77/40/293367740.db2.gz XFJOKIALHDBBRF-TXEJJXNPSA-N 1 0 328.372 2.308 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000295935597 293851444 /nfs/dbraw/zinc/85/14/44/293851444.db2.gz GFQFGQHNCGBPRC-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000296624314 294024620 /nfs/dbraw/zinc/02/46/20/294024620.db2.gz VFKCOUYUNXHBEU-CABCVRRESA-N 1 0 333.388 2.349 20 5 EEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000297381754 294228219 /nfs/dbraw/zinc/22/82/19/294228219.db2.gz DKBOGTXHXNYEFH-MRXNPFEDSA-N 1 0 331.376 2.074 20 5 EEBDRO CCOc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(Cl)c1O ZINC000297686671 294314727 /nfs/dbraw/zinc/31/47/27/294314727.db2.gz PNZBHNZXSZTWBK-UHFFFAOYSA-N 1 0 340.767 2.339 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353520194 294413206 /nfs/dbraw/zinc/41/32/06/294413206.db2.gz NJSIKYDXPXCISG-KRWDZBQOSA-N 1 0 343.431 2.349 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC[NH+]1CCCCC1 ZINC000299413999 294737731 /nfs/dbraw/zinc/73/77/31/294737731.db2.gz RPOGFOLWSDUTHE-UHFFFAOYSA-N 1 0 339.367 2.105 20 5 EEBDRO Cc1sc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000343573322 302880897 /nfs/dbraw/zinc/88/08/97/302880897.db2.gz NJRNKNVHFWICIJ-UHFFFAOYSA-N 1 0 347.462 2.117 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000411516843 312545506 /nfs/dbraw/zinc/54/55/06/312545506.db2.gz YOUZOQMJKNEESY-DLBZAZTESA-N 1 0 329.400 2.253 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413478464 312869662 /nfs/dbraw/zinc/86/96/62/312869662.db2.gz IKEUVAHLOSLFSW-UHFFFAOYSA-N 1 0 348.447 2.112 20 5 EEBDRO COC(=O)[C@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414485341 313033682 /nfs/dbraw/zinc/03/36/82/313033682.db2.gz HXYGEDGFDMQFLE-IHWMJMDHSA-N 1 0 347.415 2.035 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)o2)c1 ZINC000414559660 313041770 /nfs/dbraw/zinc/04/17/70/313041770.db2.gz PEKHBMUXXYOIIQ-CZUORRHYSA-N 1 0 332.356 2.030 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415489156 313130132 /nfs/dbraw/zinc/13/01/32/313130132.db2.gz WOGHQWOJDISWLG-WCQYABFASA-N 1 0 336.392 2.446 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415572478 313146516 /nfs/dbraw/zinc/14/65/16/313146516.db2.gz BHBZAMFZRIAICC-YPMHNXCESA-N 1 0 336.392 2.446 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417128895 313431153 /nfs/dbraw/zinc/43/11/53/313431153.db2.gz JMXFFDLHXKARHZ-KNXALSJPSA-N 1 0 332.404 2.343 20 5 EEBDRO [NH3+]C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000417765898 313589527 /nfs/dbraw/zinc/58/95/27/313589527.db2.gz OQORXFPEFBUFOC-HNNXBMFYSA-N 1 0 334.420 2.344 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346909 313945443 /nfs/dbraw/zinc/94/54/43/313945443.db2.gz ZMNIIRAEGJONCO-HNNXBMFYSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420947136 314005489 /nfs/dbraw/zinc/00/54/89/314005489.db2.gz SXFBUUIAGWMLMX-NWDGAFQWSA-N 1 0 332.360 2.095 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640507 314298508 /nfs/dbraw/zinc/29/85/08/314298508.db2.gz VQYWARDCKPRTEA-XBFCOCLRSA-N 1 0 334.420 2.147 20 5 EEBDRO C[N@@H+]1CCN(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000441363798 315183270 /nfs/dbraw/zinc/18/32/70/315183270.db2.gz XLVHKFSCZDHVNM-VURMDHGXSA-N 1 0 332.448 2.224 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452037003 315487461 /nfs/dbraw/zinc/48/74/61/315487461.db2.gz SXGDJUMCXNOIEQ-NVXWUHKLSA-N 1 0 347.415 2.421 20 5 EEBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000514735467 316418480 /nfs/dbraw/zinc/41/84/80/316418480.db2.gz DLXSKQLKHKSHGA-HNNXBMFYSA-N 1 0 346.387 2.409 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525215930 317046807 /nfs/dbraw/zinc/04/68/07/317046807.db2.gz YQGBLDCJSIJWPF-OAHLLOKOSA-N 1 0 349.431 2.336 20 5 EEBDRO COc1ccc(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000531122035 317772200 /nfs/dbraw/zinc/77/22/00/317772200.db2.gz NHFPMQWLFPQSJB-GFCCVEGCSA-N 1 0 337.420 2.238 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000534713103 317950668 /nfs/dbraw/zinc/95/06/68/317950668.db2.gz AWGWZDLRUFYZBY-MRXNPFEDSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000540698425 318076878 /nfs/dbraw/zinc/07/68/78/318076878.db2.gz SIHCCCCJZSSLNY-UHFFFAOYSA-N 1 0 335.385 2.013 20 5 EEBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543599335 318163461 /nfs/dbraw/zinc/16/34/61/318163461.db2.gz UPEDOWWLXITLEW-HNNXBMFYSA-N 1 0 326.418 2.393 20 5 EEBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548079268 318352958 /nfs/dbraw/zinc/35/29/58/318352958.db2.gz VJINJDKPPJQIHY-UHFFFAOYSA-N 1 0 343.387 2.234 20 5 EEBDRO Cc1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000561224858 318833524 /nfs/dbraw/zinc/83/35/24/318833524.db2.gz GAOKQSBWEIGOOZ-DLBZAZTESA-N 1 0 330.388 2.202 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000564657845 319098569 /nfs/dbraw/zinc/09/85/69/319098569.db2.gz POYJTEXXPBFLNE-RKDXNWHRSA-N 1 0 344.209 2.142 20 5 EEBDRO COc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000566107985 319245249 /nfs/dbraw/zinc/24/52/49/319245249.db2.gz QUONOKXTJKERCJ-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566256124 319265415 /nfs/dbraw/zinc/26/54/15/319265415.db2.gz BAGOPIOCQWHCBS-GUBZILKMSA-N 1 0 329.784 2.258 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000567465303 319382255 /nfs/dbraw/zinc/38/22/55/319382255.db2.gz XXZXYRQPGVQURY-ZIAGYGMSSA-N 1 0 344.367 2.100 20 5 EEBDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577621829 320266747 /nfs/dbraw/zinc/26/67/47/320266747.db2.gz GWWZYJZGPCTXCR-CYBMUJFWSA-N 1 0 343.387 2.324 20 5 EEBDRO Cc1c(CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000577741047 320273079 /nfs/dbraw/zinc/27/30/79/320273079.db2.gz UWHSJTBZHQMZNA-INIZCTEOSA-N 1 0 327.384 2.480 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000578879813 323727428 /nfs/dbraw/zinc/72/74/28/323727428.db2.gz KISLKKBZORZHHM-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000580405234 324053993 /nfs/dbraw/zinc/05/39/93/324053993.db2.gz YNYZELCCDZYEKK-SMDDNHRTSA-N 1 0 335.429 2.483 20 5 EEBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184843300 465028987 /nfs/dbraw/zinc/02/89/87/465028987.db2.gz QQVMWIMNWIYPTB-CABCVRRESA-N 1 0 344.371 2.384 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032838 465057484 /nfs/dbraw/zinc/05/74/84/465057484.db2.gz ZUVRIFKRBFPZEM-XJKSGUPXSA-N 1 0 347.415 2.356 20 5 EEBDRO CC(C)C[C@H](C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000347805595 465238631 /nfs/dbraw/zinc/23/86/31/465238631.db2.gz PHLGDSMKZUVYNT-ZDUSSCGKSA-N 1 0 343.449 2.145 20 5 EEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOCC1CC1 ZINC000088601614 462638916 /nfs/dbraw/zinc/63/89/16/462638916.db2.gz KHKPFWGLMTUXRV-UHFFFAOYSA-N 1 0 349.387 2.251 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065511284 462784828 /nfs/dbraw/zinc/78/48/28/462784828.db2.gz IJCOEFIYUHITJQ-KRWDZBQOSA-N 1 0 346.431 2.407 20 5 EEBDRO CCCNC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532959 462791550 /nfs/dbraw/zinc/79/15/50/462791550.db2.gz ZBMBSAXDSXZWIN-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000090523083 462796357 /nfs/dbraw/zinc/79/63/57/462796357.db2.gz GSHQUQIUJFHZPQ-OAHLLOKOSA-N 1 0 343.383 2.255 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1CCO ZINC000117340808 462799792 /nfs/dbraw/zinc/79/97/92/462799792.db2.gz AENWXOGBNWOWKV-ZDUSSCGKSA-N 1 0 349.387 2.130 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000047978869 462844198 /nfs/dbraw/zinc/84/41/98/462844198.db2.gz QCTYWRAJDJSMHM-OAHLLOKOSA-N 1 0 347.415 2.342 20 5 EEBDRO Nc1nc(Nc2cccc(CC[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000091982438 462916817 /nfs/dbraw/zinc/91/68/17/462916817.db2.gz YHUYTGRAUZFKNC-UHFFFAOYSA-N 1 0 328.376 2.349 20 5 EEBDRO CC(=O)N(C)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119812586 462930683 /nfs/dbraw/zinc/93/06/83/462930683.db2.gz YQIJQSWMHANCRR-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092606280 462964540 /nfs/dbraw/zinc/96/45/40/462964540.db2.gz YFXFTMJOFNZJLF-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000067806150 463053027 /nfs/dbraw/zinc/05/30/27/463053027.db2.gz JPQDHWYXVAVTCB-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151411 463111813 /nfs/dbraw/zinc/11/18/13/463111813.db2.gz UZBRWYHMWSPWRA-RYUDHWBXSA-N 1 0 338.364 2.414 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068468086 463140418 /nfs/dbraw/zinc/14/04/18/463140418.db2.gz APRADSQYVGRMFQ-AWEZNQCLSA-N 1 0 344.415 2.396 20 5 EEBDRO COc1ccccc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712176 463169913 /nfs/dbraw/zinc/16/99/13/463169913.db2.gz DQGIOFZBAMVTOX-INIZCTEOSA-N 1 0 346.383 2.475 20 5 EEBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000140457306 463342903 /nfs/dbraw/zinc/34/29/03/463342903.db2.gz KJGLKUHBFPGNAQ-GFCCVEGCSA-N 1 0 335.360 2.382 20 5 EEBDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196730 463384350 /nfs/dbraw/zinc/38/43/50/463384350.db2.gz YUFZUULMSBCUMM-VXGBXAGGSA-N 1 0 336.392 2.116 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056341382 463393021 /nfs/dbraw/zinc/39/30/21/463393021.db2.gz LNYWQEOAFFOODU-UHFFFAOYSA-N 1 0 334.351 2.266 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000161057381 463395612 /nfs/dbraw/zinc/39/56/12/463395612.db2.gz NGASNQLTVBSDRQ-VHSXEESVSA-N 1 0 342.193 2.357 20 5 EEBDRO O=C1CCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104730687 463420818 /nfs/dbraw/zinc/42/08/18/463420818.db2.gz QFDCNGQSZYSVDD-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162113595 463485102 /nfs/dbraw/zinc/48/51/02/463485102.db2.gz TYYDBVHOWAAPHO-IUODEOHRSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)c1cccc(F)c1 ZINC000359523497 465430553 /nfs/dbraw/zinc/43/05/53/465430553.db2.gz SRVSNIUOSIRKMT-INIZCTEOSA-N 1 0 347.346 2.304 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057721685 463515024 /nfs/dbraw/zinc/51/50/24/463515024.db2.gz GXOVTDVURIQJTR-LLVKDONJSA-N 1 0 332.404 2.382 20 5 EEBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000108395403 463602943 /nfs/dbraw/zinc/60/29/43/463602943.db2.gz SWXLBUAUPPLSRW-HNNXBMFYSA-N 1 0 335.404 2.475 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000059389284 463643279 /nfs/dbraw/zinc/64/32/79/463643279.db2.gz SGXZALAVFCYMJV-ZDUSSCGKSA-N 1 0 334.420 2.235 20 5 EEBDRO CCC[NH+]1CCC(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786607 463649984 /nfs/dbraw/zinc/64/99/84/463649984.db2.gz XKVNWHUMVUYONI-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000044406612 463677990 /nfs/dbraw/zinc/67/79/90/463677990.db2.gz XMNGXBAVAMZGLG-UHFFFAOYSA-N 1 0 342.403 2.009 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185135312 463760333 /nfs/dbraw/zinc/76/03/33/463760333.db2.gz LOAYGBWRSSPFOK-DRABBMOASA-N 1 0 335.429 2.271 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261612061 463801611 /nfs/dbraw/zinc/80/16/11/463801611.db2.gz DVEYTHGEJXVILK-AWEZNQCLSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005676 463827892 /nfs/dbraw/zinc/82/78/92/463827892.db2.gz QRBNGPXQGZWUHP-CYBMUJFWSA-N 1 0 343.449 2.287 20 5 EEBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000185605632 463849730 /nfs/dbraw/zinc/84/97/30/463849730.db2.gz QKZVGWTYQIGUOV-ZYHUDNBSSA-N 1 0 335.360 2.382 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000261753145 463850015 /nfs/dbraw/zinc/85/00/15/463850015.db2.gz LYRBXZJHQIKOAF-QMMMGPOBSA-N 1 0 329.316 2.049 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000269055752 463860989 /nfs/dbraw/zinc/86/09/89/463860989.db2.gz WPOUTWMSPNIJFH-UHFFFAOYSA-N 1 0 342.779 2.450 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171448737 463866034 /nfs/dbraw/zinc/86/60/34/463866034.db2.gz KIDLWUJBFYMHDW-HNNXBMFYSA-N 1 0 344.415 2.479 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1SC ZINC000261994973 463920667 /nfs/dbraw/zinc/92/06/67/463920667.db2.gz PIDYHYQQFFPAJZ-VHSXEESVSA-N 1 0 339.417 2.135 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000278052649 463948259 /nfs/dbraw/zinc/94/82/59/463948259.db2.gz TZOASOAJKOLIJV-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000269312148 463950134 /nfs/dbraw/zinc/95/01/34/463950134.db2.gz ALKYYQNWCAQPRR-UHFFFAOYSA-N 1 0 345.403 2.433 20 5 EEBDRO Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000262193984 463970076 /nfs/dbraw/zinc/97/00/76/463970076.db2.gz JUJLCVMQYQHJPO-LSDHHAIUSA-N 1 0 340.383 2.052 20 5 EEBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399099 463993066 /nfs/dbraw/zinc/99/30/66/463993066.db2.gz RUSZIYXXHMLUDG-GDBMZVCRSA-N 1 0 335.404 2.377 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC[NH+]1CCCC1 ZINC000179354509 464115928 /nfs/dbraw/zinc/11/59/28/464115928.db2.gz MVYUBNUEKMBNPF-UHFFFAOYSA-N 1 0 330.388 2.221 20 5 EEBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000263722141 464167528 /nfs/dbraw/zinc/16/75/28/464167528.db2.gz KAEVEVKELIWXEM-KBPBESRZSA-N 1 0 334.420 2.315 20 5 EEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270814 464180871 /nfs/dbraw/zinc/18/08/71/464180871.db2.gz SDROUOFKQPWSAV-SUMWQHHRSA-N 1 0 343.383 2.221 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236730205 464221317 /nfs/dbraw/zinc/22/13/17/464221317.db2.gz MXDABSFNKUPZOH-CYBMUJFWSA-N 1 0 334.420 2.156 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236818421 464228604 /nfs/dbraw/zinc/22/86/04/464228604.db2.gz IBZGCGAAYINQMH-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270264257 464238864 /nfs/dbraw/zinc/23/88/64/464238864.db2.gz OWYNQMZMOWXOAF-UHFFFAOYSA-N 1 0 332.404 2.465 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4nccn43)C2)nc1 ZINC000180344328 464291235 /nfs/dbraw/zinc/29/12/35/464291235.db2.gz IAPQARBFBSIJOB-ZDUSSCGKSA-N 1 0 338.371 2.324 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000271459005 464318342 /nfs/dbraw/zinc/31/83/42/464318342.db2.gz FSWCTUJWOJNXNS-IUODEOHRSA-N 1 0 326.418 2.207 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1C ZINC000188616111 464325113 /nfs/dbraw/zinc/32/51/13/464325113.db2.gz SUOAURBLHFVLJS-KGLIPLIRSA-N 1 0 333.388 2.221 20 5 EEBDRO C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000237588874 464345668 /nfs/dbraw/zinc/34/56/68/464345668.db2.gz DNSZOXSFYWEJKR-JTQLQIEISA-N 1 0 332.385 2.152 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237630869 464354293 /nfs/dbraw/zinc/35/42/93/464354293.db2.gz FLIMFKRYDXPTBK-CMPLNLGQSA-N 1 0 341.795 2.274 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188831111 464378731 /nfs/dbraw/zinc/37/87/31/464378731.db2.gz JDFQCXYVSAVDPJ-CQSZACIVSA-N 1 0 348.403 2.089 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281225500 464379096 /nfs/dbraw/zinc/37/90/96/464379096.db2.gz KRORSTZVRJGFIU-UHFFFAOYSA-N 1 0 345.321 2.485 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237864648 464393173 /nfs/dbraw/zinc/39/31/73/464393173.db2.gz BWKXDKZVBQKMPX-UONOGXRCSA-N 1 0 334.420 2.421 20 5 EEBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000237902421 464400446 /nfs/dbraw/zinc/40/04/46/464400446.db2.gz LJBNROQQQIIMSE-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238071767 464428964 /nfs/dbraw/zinc/42/89/64/464428964.db2.gz PPRJGXMZFUINOA-PBHICJAKSA-N 1 0 349.434 2.398 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271980424 464434270 /nfs/dbraw/zinc/43/42/70/464434270.db2.gz OMLYUQUNUYVKIL-GFCCVEGCSA-N 1 0 335.429 2.454 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000281734715 464565284 /nfs/dbraw/zinc/56/52/84/464565284.db2.gz OHBUXVOFQSTMNB-UHFFFAOYSA-N 1 0 336.348 2.061 20 5 EEBDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000285471799 464576839 /nfs/dbraw/zinc/57/68/39/464576839.db2.gz KREPKUCVOKLGIQ-UHFFFAOYSA-N 1 0 342.417 2.050 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294807452 464611802 /nfs/dbraw/zinc/61/18/02/464611802.db2.gz PJOVRDVVVVTSHP-SNVBAGLBSA-N 1 0 331.294 2.438 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000265679521 464644813 /nfs/dbraw/zinc/64/48/13/464644813.db2.gz JCMVVPSMAHYHPR-UHFFFAOYSA-N 1 0 325.413 2.122 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285692137 464661563 /nfs/dbraw/zinc/66/15/63/464661563.db2.gz GYRXNXQODHPCGX-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO Cc1cc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000282017393 464671179 /nfs/dbraw/zinc/67/11/79/464671179.db2.gz XIJMTDGKUFNISB-RISCZKNCSA-N 1 0 342.355 2.386 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000265806734 464692930 /nfs/dbraw/zinc/69/29/30/464692930.db2.gz SAAUZNRCWNWBKA-HZPDHXFCSA-N 1 0 342.399 2.285 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)o1 ZINC000176208392 464720495 /nfs/dbraw/zinc/72/04/95/464720495.db2.gz KRXIBUBALPQZFA-UHFFFAOYSA-N 1 0 329.154 2.279 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266662807 464780469 /nfs/dbraw/zinc/78/04/69/464780469.db2.gz RMRYQNUJOHBSFX-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000276149326 464825850 /nfs/dbraw/zinc/82/58/50/464825850.db2.gz GCNSNGYVWOUWTP-UHFFFAOYSA-N 1 0 342.399 2.211 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295483330 464854395 /nfs/dbraw/zinc/85/43/95/464854395.db2.gz ZZZINZAWPUSIMZ-AWEZNQCLSA-N 1 0 347.415 2.358 20 5 EEBDRO Nc1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176819707 464859035 /nfs/dbraw/zinc/85/90/35/464859035.db2.gz BFGVUNSASALLFQ-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000267020021 464906710 /nfs/dbraw/zinc/90/67/10/464906710.db2.gz JOZVQLNXMGGTEK-NSHDSACASA-N 1 0 332.326 2.271 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000184476771 464981576 /nfs/dbraw/zinc/98/15/76/464981576.db2.gz YLJKIRNGOYSQMQ-OGHNNQOOSA-N 1 0 344.415 2.123 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930788 465396435 /nfs/dbraw/zinc/39/64/35/465396435.db2.gz VKXBZCIAWQRORL-VXGBXAGGSA-N 1 0 328.372 2.433 20 5 EEBDRO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000337550931 465428745 /nfs/dbraw/zinc/42/87/45/465428745.db2.gz OGWRPZYJAKXIGB-CHWSQXEVSA-N 1 0 347.423 2.411 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000343801749 465555247 /nfs/dbraw/zinc/55/52/47/465555247.db2.gz DCNSUNAGZIBBOI-BXUZGUMPSA-N 1 0 330.392 2.379 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299078541 465591019 /nfs/dbraw/zinc/59/10/19/465591019.db2.gz IAZWTWPOUYJBGN-NEPJUHHUSA-N 1 0 345.403 2.321 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000360666690 465592201 /nfs/dbraw/zinc/59/22/01/465592201.db2.gz QPKVEUZTZVQUNV-HNNXBMFYSA-N 1 0 342.399 2.932 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362330070 465659452 /nfs/dbraw/zinc/65/94/52/465659452.db2.gz MLFQXCDYFYFQRH-LSDHHAIUSA-N 1 0 346.431 2.258 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000361011875 465701523 /nfs/dbraw/zinc/70/15/23/465701523.db2.gz KQKMODWTFURHIB-DRDHIDPGSA-N 1 0 327.388 2.210 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330605582 465729240 /nfs/dbraw/zinc/72/92/40/465729240.db2.gz ZHPFEKWSRRETTF-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119418 465776844 /nfs/dbraw/zinc/77/68/44/465776844.db2.gz IQWMKRLTAMLGRW-XHDPSFHLSA-N 1 0 335.335 2.219 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000330957888 465874277 /nfs/dbraw/zinc/87/42/77/465874277.db2.gz AADPKKNTPFPOAK-INIZCTEOSA-N 1 0 334.420 2.114 20 5 EEBDRO COc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033723 465930469 /nfs/dbraw/zinc/93/04/69/465930469.db2.gz AQKWQYLUFJPBTF-HNNXBMFYSA-N 1 0 337.420 2.146 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711656 465962270 /nfs/dbraw/zinc/96/22/70/465962270.db2.gz MMXLXMKWPNBDGL-GVDBMIGSSA-N 1 0 338.404 2.456 20 5 EEBDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301434667 465962688 /nfs/dbraw/zinc/96/26/88/465962688.db2.gz LUBAQOPXUDXTCH-UHFFFAOYSA-N 1 0 334.420 2.379 20 5 EEBDRO Cc1nnc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000353577483 465989753 /nfs/dbraw/zinc/98/97/53/465989753.db2.gz BZYRMDQFMMTKJF-JTQLQIEISA-N 1 0 349.416 2.304 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548741220 468465007 /nfs/dbraw/zinc/46/50/07/468465007.db2.gz IAMNBRZAPWCVTF-LLVKDONJSA-N 1 0 331.376 2.177 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000338298944 465995666 /nfs/dbraw/zinc/99/56/66/465995666.db2.gz DUOVOITVVMWWPH-VXGBXAGGSA-N 1 0 337.376 2.019 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000346228568 466009545 /nfs/dbraw/zinc/00/95/45/466009545.db2.gz RICQYZCZQPNJIQ-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000331371063 466053195 /nfs/dbraw/zinc/05/31/95/466053195.db2.gz DNLLKHPJYNMCMS-VHSXEESVSA-N 1 0 339.342 2.157 20 5 EEBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000361534246 466082994 /nfs/dbraw/zinc/08/29/94/466082994.db2.gz WSACCULKAZYDQY-LSDHHAIUSA-N 1 0 348.447 2.410 20 5 EEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336020 466086249 /nfs/dbraw/zinc/08/62/49/466086249.db2.gz PKEZPCMUBWTZAM-RRQGHBQHSA-N 1 0 342.399 2.198 20 5 EEBDRO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346847671 466196460 /nfs/dbraw/zinc/19/64/60/466196460.db2.gz PRVSFQFWDJOEEZ-IACUBPJLSA-N 1 0 335.404 2.171 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000331703038 466205935 /nfs/dbraw/zinc/20/59/35/466205935.db2.gz GFHQVNIFCISSQY-MRXNPFEDSA-N 1 0 347.415 2.279 20 5 EEBDRO CC(=O)c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000367264473 466226054 /nfs/dbraw/zinc/22/60/54/466226054.db2.gz MZPAXFGKOXKKNI-OAHLLOKOSA-N 1 0 333.388 2.463 20 5 EEBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762278 466267009 /nfs/dbraw/zinc/26/70/09/466267009.db2.gz ASCSEXNIJHDFKI-ARFHVFGLSA-N 1 0 333.388 2.247 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000600169202 468482614 /nfs/dbraw/zinc/48/26/14/468482614.db2.gz AHNCJQUTNGEVBX-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO Cc1c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330673 466306622 /nfs/dbraw/zinc/30/66/22/466306622.db2.gz HQIAYRIFCXAVKN-YJBOKZPZSA-N 1 0 346.475 2.361 20 5 EEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363325599 466345511 /nfs/dbraw/zinc/34/55/11/466345511.db2.gz HUHJHTUSLSQSFG-BRWVUGGUSA-N 1 0 331.416 2.022 20 5 EEBDRO CC[N@H+](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000338766449 466367473 /nfs/dbraw/zinc/36/74/73/466367473.db2.gz MAOROQCDSZJFLL-UHFFFAOYSA-N 1 0 332.404 2.396 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN(CCCO)Cc1ccccn1 ZINC000347085598 466380858 /nfs/dbraw/zinc/38/08/58/466380858.db2.gz MEALIVIBXOYVCC-UHFFFAOYSA-N 1 0 331.372 2.383 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000305457664 466410468 /nfs/dbraw/zinc/41/04/68/466410468.db2.gz ULTONUJWAOTMQA-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144916 466493261 /nfs/dbraw/zinc/49/32/61/466493261.db2.gz VCRWNEBCECUXNT-KRWDZBQOSA-N 1 0 331.372 2.011 20 5 EEBDRO CC[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000311706461 466525638 /nfs/dbraw/zinc/52/56/38/466525638.db2.gz MWJDGUDPBIWAHW-SNVBAGLBSA-N 1 0 333.182 2.049 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000347289345 466538967 /nfs/dbraw/zinc/53/89/67/466538967.db2.gz QXXQUVJVTCYOMC-SFKKXYGYSA-N 1 0 333.432 2.387 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347400781 466611773 /nfs/dbraw/zinc/61/17/73/466611773.db2.gz BNTKCGYPFYALJJ-CYBMUJFWSA-N 1 0 329.404 2.928 20 5 EEBDRO COc1cccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591687134 468502955 /nfs/dbraw/zinc/50/29/55/468502955.db2.gz KGRZFRVGGXRNDO-OAHLLOKOSA-N 1 0 341.367 2.390 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192136 466740412 /nfs/dbraw/zinc/74/04/12/466740412.db2.gz VIJOSQPDDXFBDB-JMPLFQLZSA-N 1 0 349.387 2.088 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423647338 466794114 /nfs/dbraw/zinc/79/41/14/466794114.db2.gz QJDXHLJDFIDKFN-QGZVFWFLSA-N 1 0 333.388 2.209 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000417190315 466798604 /nfs/dbraw/zinc/79/86/04/466798604.db2.gz YBILHBLRGJMQLH-AWEZNQCLSA-N 1 0 338.408 2.118 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](c3nccn3C)C2)c1F ZINC000375126053 466813860 /nfs/dbraw/zinc/81/38/60/466813860.db2.gz FTMFBRBJPPFZBS-LLVKDONJSA-N 1 0 332.335 2.406 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718195 466916592 /nfs/dbraw/zinc/91/65/92/466916592.db2.gz NXNQKFYBPZBTSV-ZFWWWQNUSA-N 1 0 334.420 2.296 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000417760935 466927081 /nfs/dbraw/zinc/92/70/81/466927081.db2.gz GRBGTUQYBNUQMY-UHFFFAOYSA-N 1 0 340.383 2.240 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411935263 466938287 /nfs/dbraw/zinc/93/82/87/466938287.db2.gz BFKHROBTJXETSB-PVUWLOKVSA-N 1 0 338.404 2.128 20 5 EEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000424075165 466972245 /nfs/dbraw/zinc/97/22/45/466972245.db2.gz OZWIRGRQAUMQEY-SUNKGSAMSA-N 1 0 335.404 2.357 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000424204987 467003364 /nfs/dbraw/zinc/00/33/64/467003364.db2.gz VYBWVYSJGLBMCL-UONOGXRCSA-N 1 0 334.372 2.425 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000374155815 467016000 /nfs/dbraw/zinc/01/60/00/467016000.db2.gz BRXXTUYKMQIEET-UHFFFAOYSA-N 1 0 332.404 2.125 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000427613197 467167186 /nfs/dbraw/zinc/16/71/86/467167186.db2.gz BRFUHOYPHKLTGK-CYBMUJFWSA-N 1 0 337.424 2.052 20 5 EEBDRO CC[C@@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)OC ZINC000419255912 467180915 /nfs/dbraw/zinc/18/09/15/467180915.db2.gz YVMMFPYTCFBWBI-AWEZNQCLSA-N 1 0 347.419 2.408 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000413198119 467187969 /nfs/dbraw/zinc/18/79/69/467187969.db2.gz PRVZBXRARYSOKG-HUUCEWRRSA-N 1 0 338.383 2.309 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451008223 467224222 /nfs/dbraw/zinc/22/42/22/467224222.db2.gz WOAYARNCFYAIED-OAHLLOKOSA-N 1 0 328.372 2.031 20 5 EEBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000413530889 467261204 /nfs/dbraw/zinc/26/12/04/467261204.db2.gz KYBIHAKKYMVLAB-ZDUSSCGKSA-N 1 0 327.388 2.404 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000429078150 467298763 /nfs/dbraw/zinc/29/87/63/467298763.db2.gz RYIPDVAWIHSPTA-UONOGXRCSA-N 1 0 346.431 2.252 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429127797 467303319 /nfs/dbraw/zinc/30/33/19/467303319.db2.gz LMDSUPUIDRTGSN-SCVCMEIPSA-N 1 0 341.795 2.211 20 5 EEBDRO COc1ccc(OCCN(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452119995 467331028 /nfs/dbraw/zinc/33/10/28/467331028.db2.gz QSFWSAZILVYLDO-AWEZNQCLSA-N 1 0 337.420 2.397 20 5 EEBDRO CC(C)(C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000429630755 467354177 /nfs/dbraw/zinc/35/41/77/467354177.db2.gz YNKONBMDZZPABT-UHFFFAOYSA-N 1 0 349.431 2.229 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335936 467365022 /nfs/dbraw/zinc/36/50/22/467365022.db2.gz ICSCPDNCQJGEBB-KRWDZBQOSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000379496237 467368173 /nfs/dbraw/zinc/36/81/73/467368173.db2.gz QXUDDDMNHIPKPQ-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000434015477 467372140 /nfs/dbraw/zinc/37/21/40/467372140.db2.gz ZWWRHGHYQVKICI-UHFFFAOYSA-N 1 0 349.391 2.238 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420412082 467398720 /nfs/dbraw/zinc/39/87/20/467398720.db2.gz YGBCMBBWLQHETB-CQSZACIVSA-N 1 0 340.383 2.232 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430542443 467436276 /nfs/dbraw/zinc/43/62/76/467436276.db2.gz KFTVFIDRTLDVBZ-CQSZACIVSA-N 1 0 333.392 2.450 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414928300 467452316 /nfs/dbraw/zinc/45/23/16/467452316.db2.gz APXYKFHKFYOUNR-DTWKUNHWSA-N 1 0 344.318 2.397 20 5 EEBDRO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000435234224 467453728 /nfs/dbraw/zinc/45/37/28/467453728.db2.gz ZEIKKTXGTRMJSM-LBPRGKRZSA-N 1 0 338.795 2.013 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453416510 467486582 /nfs/dbraw/zinc/48/65/82/467486582.db2.gz XOKSWTZAHUNNBP-LSDHHAIUSA-N 1 0 330.392 2.206 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420901146 467508153 /nfs/dbraw/zinc/50/81/53/467508153.db2.gz LZIUHNDLZNAFDG-UHFFFAOYSA-N 1 0 349.435 2.179 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930117 467518630 /nfs/dbraw/zinc/51/86/30/467518630.db2.gz BUXGLCIPOYBMFM-OCCSQVGLSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000438338795 467565030 /nfs/dbraw/zinc/56/50/30/467565030.db2.gz LFDDQBQXPIHKJZ-LYASGUKUSA-N 1 0 333.432 2.385 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448566605 467593698 /nfs/dbraw/zinc/59/36/98/467593698.db2.gz SIGCTACEQZOAIS-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449123426 467619497 /nfs/dbraw/zinc/61/94/97/467619497.db2.gz CLKWKMRJBXTQSN-TZMCWYRMSA-N 1 0 329.404 2.284 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449200471 467623234 /nfs/dbraw/zinc/62/32/34/467623234.db2.gz HERGGGBIGOTNDL-KGLIPLIRSA-N 1 0 333.388 2.065 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000457928766 467732231 /nfs/dbraw/zinc/73/22/31/467732231.db2.gz BHYRZYVCGLZZRX-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1nc(N2CCC(CCC[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000450433132 467848999 /nfs/dbraw/zinc/84/89/99/467848999.db2.gz JMTZWJFCRPGICQ-UHFFFAOYSA-N 1 0 349.435 2.022 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000493446616 467912782 /nfs/dbraw/zinc/91/27/82/467912782.db2.gz CTTSLJXELZTYMZ-MOEUOMFESA-N 1 0 335.791 2.424 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@H+](CC)C[C@H]2CC)c1[N+](=O)[O-] ZINC000450826520 467915127 /nfs/dbraw/zinc/91/51/27/467915127.db2.gz GEQUTCJTYJYBOP-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000514602159 467943043 /nfs/dbraw/zinc/94/30/43/467943043.db2.gz NFHUXGOQIXCQCT-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000493684270 467963399 /nfs/dbraw/zinc/96/33/99/467963399.db2.gz LWZGDBHEIWLCAW-CKCWQTHVSA-N 1 0 333.363 2.205 20 5 EEBDRO CC(C)[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000515110128 467974163 /nfs/dbraw/zinc/97/41/63/467974163.db2.gz ADCSRWMEKXRDMW-HNNXBMFYSA-N 1 0 331.376 2.020 20 5 EEBDRO CC[C@H]1CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000487192986 468027441 /nfs/dbraw/zinc/02/74/41/468027441.db2.gz VDPXCSRIJBYNNY-AWEZNQCLSA-N 1 0 327.812 2.449 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494251068 468039870 /nfs/dbraw/zinc/03/98/70/468039870.db2.gz NKQUAWAQJVUULK-XMZIXOGTSA-N 1 0 337.376 2.088 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000516943392 468057801 /nfs/dbraw/zinc/05/78/01/468057801.db2.gz YJVDXFCBSYNLPM-NXEZZACHSA-N 1 0 329.360 2.281 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000567876038 468229120 /nfs/dbraw/zinc/22/91/20/468229120.db2.gz HCMDCHUPTCLYLR-RDJZCZTQSA-N 1 0 346.431 2.448 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000591764411 468517032 /nfs/dbraw/zinc/51/70/32/468517032.db2.gz NGVZWROUNZTDDE-JLJPHGGASA-N 1 0 348.378 2.217 20 5 EEBDRO C[NH+](C)C1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000597580633 468606601 /nfs/dbraw/zinc/60/66/01/468606601.db2.gz FXLUCMABBJVJRN-UHFFFAOYSA-N 1 0 331.294 2.324 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570271323 468613953 /nfs/dbraw/zinc/61/39/53/468613953.db2.gz VFEFYTDWQKHFRG-OLZOCXBDSA-N 1 0 334.420 2.262 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597700539 468644094 /nfs/dbraw/zinc/64/40/94/468644094.db2.gz NFCHUGAWSIDYII-SWLSCSKDSA-N 1 0 330.388 2.101 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592256340 468665772 /nfs/dbraw/zinc/66/57/72/468665772.db2.gz YCXDVWZUWUYGOR-CABCVRRESA-N 1 0 347.415 2.455 20 5 EEBDRO CC1([NH3+])CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000592328514 468678206 /nfs/dbraw/zinc/67/82/06/468678206.db2.gz MISSHELBEQDNHA-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1[N+](=O)[O-] ZINC000592396718 468689673 /nfs/dbraw/zinc/68/96/73/468689673.db2.gz JKIUQLHAXRHHRF-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594800460 468690667 /nfs/dbraw/zinc/69/06/67/468690667.db2.gz FXSUHFIPXLFWMW-GFCCVEGCSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000592488723 468710030 /nfs/dbraw/zinc/71/00/30/468710030.db2.gz MMBWGFKQVOGBCS-FZMZJTMJSA-N 1 0 331.376 2.204 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000592543931 468727217 /nfs/dbraw/zinc/72/72/17/468727217.db2.gz YKCQXYLJEOXMDQ-GJZGRUSLSA-N 1 0 346.431 2.197 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594992730 468740122 /nfs/dbraw/zinc/74/01/22/468740122.db2.gz JTGHWQFJOCZIEN-ZDUSSCGKSA-N 1 0 335.404 2.340 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000559716890 468753572 /nfs/dbraw/zinc/75/35/72/468753572.db2.gz SRNJSULUYZWLDD-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000595102741 468759211 /nfs/dbraw/zinc/75/92/11/468759211.db2.gz LNYXJLKEYHSHMY-WMLDXEAASA-N 1 0 331.416 2.425 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000598342438 468837010 /nfs/dbraw/zinc/83/70/10/468837010.db2.gz NJVXVWLILAFQLR-AWEZNQCLSA-N 1 0 330.388 2.150 20 5 EEBDRO COc1cc(C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000593109232 468874894 /nfs/dbraw/zinc/87/48/94/468874894.db2.gz XJSVBQFTANJZLG-JTQLQIEISA-N 1 0 348.346 2.450 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593128551 468881141 /nfs/dbraw/zinc/88/11/41/468881141.db2.gz HELXIBDLPZZOQU-JKSUJKDBSA-N 1 0 334.372 2.105 20 5 EEBDRO CNc1ccc(-c2nc([C@H]3CN(C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000572656369 468964743 /nfs/dbraw/zinc/96/47/43/468964743.db2.gz APEICNQRUQZGNC-CQSZACIVSA-N 1 0 345.359 2.222 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000598716209 468970814 /nfs/dbraw/zinc/97/08/14/468970814.db2.gz AKTMBCIYVATBNG-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO CNc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000572713175 468977222 /nfs/dbraw/zinc/97/72/22/468977222.db2.gz NUGZBSJEUZXVCP-LBPRGKRZSA-N 1 0 332.404 2.241 20 5 EEBDRO COCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602674762 469003178 /nfs/dbraw/zinc/00/31/78/469003178.db2.gz ZABOZQLGKMDEAE-UHFFFAOYSA-N 1 0 335.360 2.269 20 5 EEBDRO COc1cc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc(OC)c1 ZINC000602763032 469056842 /nfs/dbraw/zinc/05/68/42/469056842.db2.gz JEJQFTGAJAKSOC-UHFFFAOYSA-N 1 0 334.376 2.249 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593730859 469113607 /nfs/dbraw/zinc/11/36/07/469113607.db2.gz JFANTWQTAGHBDA-DEYYWGMASA-N 1 0 346.431 2.291 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971464 469120409 /nfs/dbraw/zinc/12/04/09/469120409.db2.gz BXDGQZZSXMDFFP-WCFLWFBJSA-N 1 0 330.344 2.284 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611092504 469159636 /nfs/dbraw/zinc/15/96/36/469159636.db2.gz WJPQXKDNFIBCAI-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000611208166 469192904 /nfs/dbraw/zinc/19/29/04/469192904.db2.gz HLWREOIXTRZRRG-AWEZNQCLSA-N 1 0 343.387 2.275 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000602998029 469213478 /nfs/dbraw/zinc/21/34/78/469213478.db2.gz WGEDQLKCVMQKHW-BBWFWOEESA-N 1 0 347.415 2.183 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000596306603 469239421 /nfs/dbraw/zinc/23/94/21/469239421.db2.gz HINWJAGRBWUXES-NSHDSACASA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1c(Br)c(NCC[C@@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596430962 469264637 /nfs/dbraw/zinc/26/46/37/469264637.db2.gz MHRZUYBOERVXIO-MRVPVSSYSA-N 1 0 331.214 2.813 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000602299507 469275513 /nfs/dbraw/zinc/27/55/13/469275513.db2.gz DWNPCIQTZBRISI-UHFFFAOYSA-N 1 0 348.334 2.322 20 5 EEBDRO Cc1noc(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602521420 469348788 /nfs/dbraw/zinc/34/87/88/469348788.db2.gz OBUTXDWPDZFBHT-UHFFFAOYSA-N 1 0 331.376 2.353 20 5 EEBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547006 469356653 /nfs/dbraw/zinc/35/66/53/469356653.db2.gz WDLLUHBUFPHGLJ-GUYCJALGSA-N 1 0 336.436 2.345 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602549671 469357514 /nfs/dbraw/zinc/35/75/14/469357514.db2.gz JQMOGZDZAZSIHS-DTWKUNHWSA-N 1 0 349.284 2.333 20 5 EEBDRO C[C@@H]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000602554646 469358867 /nfs/dbraw/zinc/35/88/67/469358867.db2.gz NBRQZLULKGNWDF-HIFRSBDPSA-N 1 0 346.431 2.068 20 5 EEBDRO Cc1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000602584037 469371339 /nfs/dbraw/zinc/37/13/39/469371339.db2.gz WKSVAVUTDYCHER-INIZCTEOSA-N 1 0 347.415 2.134 20 5 EEBDRO COc1cc(CN[C@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433997 469395275 /nfs/dbraw/zinc/39/52/75/469395275.db2.gz OGQKPFLULYEQPU-STQMWFEESA-N 1 0 345.346 2.420 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000609347932 469921804 /nfs/dbraw/zinc/92/18/04/469921804.db2.gz GTXMVITYLAVPNU-HNNXBMFYSA-N 1 0 347.415 2.233 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609386237 469924580 /nfs/dbraw/zinc/92/45/80/469924580.db2.gz NNOUOVIRYMTWCO-AWEZNQCLSA-N 1 0 334.420 2.020 20 5 EEBDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000610271381 469997783 /nfs/dbraw/zinc/99/77/83/469997783.db2.gz PTCYWLNAHXBCKB-UHFFFAOYSA-N 1 0 349.412 2.299 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638942447 470334076 /nfs/dbraw/zinc/33/40/76/470334076.db2.gz UVZZKPZCVVZBFH-UONOGXRCSA-N 1 0 335.407 2.103 20 5 EEBDRO COc1cc(CNC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000414928960 533880225 /nfs/dbraw/zinc/88/02/25/533880225.db2.gz NXRIYTJINMFXBS-INIZCTEOSA-N 1 0 337.420 2.480 20 5 EEBDRO COc1cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000132158257 533886942 /nfs/dbraw/zinc/88/69/42/533886942.db2.gz GACPHTFTADIYQX-GOSISDBHSA-N 1 0 344.367 2.233 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000110490618 519356400 /nfs/dbraw/zinc/35/64/00/519356400.db2.gz ROWZSQBFKGWUAB-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C1OCCN1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178585397 534806802 /nfs/dbraw/zinc/80/68/02/534806802.db2.gz XVFDRVYVMYFPLG-OAHLLOKOSA-N 1 0 333.388 2.348 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411430994 527930289 /nfs/dbraw/zinc/93/02/89/527930289.db2.gz UEJUTJIHPKYGGN-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183612719 527974347 /nfs/dbraw/zinc/97/43/47/527974347.db2.gz KWNUZRWVYMYZOF-ZDUSSCGKSA-N 1 0 335.408 2.479 20 5 EEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000264297110 535903790 /nfs/dbraw/zinc/90/37/90/535903790.db2.gz WTQZXUNJQWSANI-UHFFFAOYSA-N 1 0 347.371 2.101 20 5 EEBDRO COCCOC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773029360 577311485 /nfs/dbraw/zinc/31/14/85/577311485.db2.gz YNKFJVLRAJJLOT-AWEZNQCLSA-N 1 0 337.420 2.205 20 5 EEBDRO C[C@H](CC[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773046080 577312172 /nfs/dbraw/zinc/31/21/72/577312172.db2.gz ZTYVHMZYIQBPNY-ZLOXQWCVSA-N 1 0 339.461 2.310 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582078 577463195 /nfs/dbraw/zinc/46/31/95/577463195.db2.gz PQNVPQGLBQWTBX-KRWDZBQOSA-N 1 0 346.383 2.131 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587658 577463378 /nfs/dbraw/zinc/46/33/78/577463378.db2.gz XZININIEYAFIIB-QGZVFWFLSA-N 1 0 347.415 2.105 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000765424136 577500758 /nfs/dbraw/zinc/50/07/58/577500758.db2.gz BSDKRQDNEUYHAN-OLZOCXBDSA-N 1 0 341.408 2.160 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+](C)[C@H](C)C1 ZINC000761080499 577676044 /nfs/dbraw/zinc/67/60/44/577676044.db2.gz JNQYAPYCFHUUGS-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000742413112 577872686 /nfs/dbraw/zinc/87/26/86/577872686.db2.gz ZWCHZQZIYAXUEH-YPMHNXCESA-N 1 0 332.404 2.382 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821581488 606474019 /nfs/dbraw/zinc/47/40/19/606474019.db2.gz MONWXCBXQCHASO-RYUDHWBXSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021049557 675691475 /nfs/dbraw/zinc/69/14/75/675691475.db2.gz PRVOIUPSDPDRHZ-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891607004 676716633 /nfs/dbraw/zinc/71/66/33/676716633.db2.gz KTLBKWIXYPZUTN-SFHVURJKSA-N 1 0 346.431 2.313 20 5 EEBDRO CC1(C)CC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[NH2+]C1 ZINC000891723251 676802572 /nfs/dbraw/zinc/80/25/72/676802572.db2.gz PIEJMMNCBQLBJA-AWEZNQCLSA-N 1 0 334.420 2.215 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000178748956 681479820 /nfs/dbraw/zinc/47/98/20/681479820.db2.gz XJPPKHZJQKVPRK-NSHDSACASA-N 1 0 343.836 2.302 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc[nH]1 ZINC000983152531 681907500 /nfs/dbraw/zinc/90/75/00/681907500.db2.gz GBPJSWFKQZCART-HDJSIYSDSA-N 1 0 328.372 2.221 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000894669427 683017593 /nfs/dbraw/zinc/01/75/93/683017593.db2.gz ZSWPRTZCHXIWGW-CQSZACIVSA-N 1 0 327.812 2.185 20 5 EEBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895245030 684368930 /nfs/dbraw/zinc/36/89/30/684368930.db2.gz CKDYKRYVCHNNFP-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@H+](C)CCN1C ZINC000895249732 684376877 /nfs/dbraw/zinc/37/68/77/684376877.db2.gz XBWUQAOZCWXERS-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1C[N@H+](C)CCN1C ZINC000895247920 684384106 /nfs/dbraw/zinc/38/41/06/684384106.db2.gz KERLVWXXPVJWGR-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000896115737 684840941 /nfs/dbraw/zinc/84/09/41/684840941.db2.gz ILKGWUXKDQAOOK-CYBMUJFWSA-N 1 0 342.399 2.496 20 5 EEBDRO CCCC[N@H+](CC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000026636254 686092559 /nfs/dbraw/zinc/09/25/59/686092559.db2.gz OEAILONJLCICTR-QGZVFWFLSA-N 1 0 348.403 2.441 20 5 EEBDRO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000985426224 686671758 /nfs/dbraw/zinc/67/17/58/686671758.db2.gz NRLQZCPKHRUGCD-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO O=C(c1cccnc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989859057 692394053 /nfs/dbraw/zinc/39/40/53/692394053.db2.gz HTSRDTJSCMAPBN-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072634402 1192767599 /nfs/dbraw/zinc/76/75/99/1192767599.db2.gz DWWMDWZUKZVWPY-UHFFFAOYSA-N 1 0 332.404 2.021 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072634392 1192767656 /nfs/dbraw/zinc/76/76/56/1192767656.db2.gz BITXHELHDFHENR-UHFFFAOYSA-N 1 0 346.431 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC2CCSCC2)cc1 ZINC000905705695 1189876080 /nfs/dbraw/zinc/87/60/80/1189876080.db2.gz RKZLBZPYGLDKNL-OAHLLOKOSA-N 1 0 326.418 2.130 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000794717241 1197909978 /nfs/dbraw/zinc/90/99/78/1197909978.db2.gz KMFXNRCIMKLMJJ-BDJLRTHQSA-N 1 0 331.347 2.481 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000873126285 1198507235 /nfs/dbraw/zinc/50/72/35/1198507235.db2.gz CUZULQGPCIEYQJ-ZDUSSCGKSA-N 1 0 326.418 2.126 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001134220472 1199404330 /nfs/dbraw/zinc/40/43/30/1199404330.db2.gz PENOUYFXTXWBOO-UHFFFAOYSA-N 1 0 347.396 2.111 20 5 EEBDRO COc1csc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001132245454 1199495377 /nfs/dbraw/zinc/49/53/77/1199495377.db2.gz GFOKMTSZTIVTGV-UHFFFAOYSA-N 1 0 335.385 2.185 20 5 EEBDRO Cc1nc(CCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC001134703082 1199760499 /nfs/dbraw/zinc/76/04/99/1199760499.db2.gz GHOADLSHKJKINX-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000877345761 1199909545 /nfs/dbraw/zinc/90/95/45/1199909545.db2.gz BITRMOOXBDTCEC-INIZCTEOSA-N 1 0 325.368 2.348 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877746889 1200070224 /nfs/dbraw/zinc/07/02/24/1200070224.db2.gz LQUFZPFGRFWPJJ-UHFFFAOYSA-N 1 0 346.475 2.423 20 5 EEBDRO Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000795141959 1200885648 /nfs/dbraw/zinc/88/56/48/1200885648.db2.gz ZMECDUCTSPIIDH-RYUDHWBXSA-N 1 0 327.812 2.448 20 5 EEBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866244556 1201474838 /nfs/dbraw/zinc/47/48/38/1201474838.db2.gz QCDJFYOMEVEBBC-WFASDCNBSA-N 1 0 328.384 2.288 20 5 EEBDRO C[C@]1([NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000868076823 1201739350 /nfs/dbraw/zinc/73/93/50/1201739350.db2.gz KVVJZTVIUWWMIP-LBPRGKRZSA-N 1 0 346.156 2.060 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000868607109 1201844877 /nfs/dbraw/zinc/84/48/77/1201844877.db2.gz MOOBCBVVJXUWAW-LBPRGKRZSA-N 1 0 335.379 2.219 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000129748807 1201900682 /nfs/dbraw/zinc/90/06/82/1201900682.db2.gz QZAJQEUXYZZOJO-GASCZTMLSA-N 1 0 337.420 2.015 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884853309 1202366156 /nfs/dbraw/zinc/36/61/56/1202366156.db2.gz KWMUXCXHTSTSLJ-LBPRGKRZSA-N 1 0 330.392 2.230 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887132898 1204213343 /nfs/dbraw/zinc/21/33/43/1204213343.db2.gz PMZRSBZVUTXVOR-KSSFIOAISA-N 1 0 342.399 2.234 20 5 EEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155440652 1208326977 /nfs/dbraw/zinc/32/69/77/1208326977.db2.gz IEOASPIVWIHJEG-IUODEOHRSA-N 1 0 331.376 2.046 20 5 EEBDRO O=C(CC1CC1)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001111311929 1210154202 /nfs/dbraw/zinc/15/42/02/1210154202.db2.gz DRDCHZWQQRAEJX-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1F ZINC001020041129 1229453925 /nfs/dbraw/zinc/45/39/25/1229453925.db2.gz POJPKGVRBCTCJZ-JOCQHMNTSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC(F)(F)C1 ZINC001020058429 1229464398 /nfs/dbraw/zinc/46/43/98/1229464398.db2.gz HTUNBFXKWWCEFM-JOCQHMNTSA-N 1 0 339.342 2.377 20 5 EEBDRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000801602030 1235896092 /nfs/dbraw/zinc/89/60/92/1235896092.db2.gz UABUQOVDDOWFNU-HNNXBMFYSA-N 1 0 334.372 2.305 20 5 EEBDRO C/C=C(/C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048754816 1238528093 /nfs/dbraw/zinc/52/80/93/1238528093.db2.gz VVUZMVSAHPTGGZ-BWEGZWNPSA-N 1 0 329.400 2.451 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000902987421 1239271664 /nfs/dbraw/zinc/27/16/64/1239271664.db2.gz DTCJICCYYVLBGU-UHFFFAOYSA-N 1 0 348.403 2.360 20 5 EEBDRO O=C(NCC1=CC[N@H+](CCCc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673025 1240705284 /nfs/dbraw/zinc/70/52/84/1240705284.db2.gz CWYWFRHYOHZHOD-HZPDHXFCSA-N 1 0 349.456 2.094 20 5 EEBDRO C[NH+](C)C1(C(=O)N[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001097073959 1243659575 /nfs/dbraw/zinc/65/95/75/1243659575.db2.gz FHRSMBPQVOEZRT-JOCQHMNTSA-N 1 0 332.404 2.138 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC001135211732 1278249250 /nfs/dbraw/zinc/24/92/50/1278249250.db2.gz BZZVHYDWPZHXME-UHFFFAOYSA-N 1 0 341.367 2.145 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867307500 1285566929 /nfs/dbraw/zinc/56/69/29/1285566929.db2.gz SHGZMQRTXSDFRW-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164462109 1321387163 /nfs/dbraw/zinc/38/71/63/1321387163.db2.gz LVWBUYRQJFKJJB-HTQZYQBOSA-N 1 0 331.829 2.324 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000852760079 1292189981 /nfs/dbraw/zinc/18/99/81/1292189981.db2.gz VXTOUVSLGADTAC-PWSUYJOCSA-N 1 0 340.811 2.246 20 5 EEBDRO COC[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000112960596 1293063812 /nfs/dbraw/zinc/06/38/12/1293063812.db2.gz OIADMQQTDVUTNI-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855287298 1293154912 /nfs/dbraw/zinc/15/49/12/1293154912.db2.gz KYMMGMSZFYJMHB-NSHDSACASA-N 1 0 336.348 2.106 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000859358277 1294408061 /nfs/dbraw/zinc/40/80/61/1294408061.db2.gz ZLMHRNKNKUHBGD-UHFFFAOYSA-N 1 0 349.431 2.160 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217977321 1297540033 /nfs/dbraw/zinc/54/00/33/1297540033.db2.gz AGKVZMDUFZZLJT-SMDDNHRTSA-N 1 0 326.324 2.159 20 5 EEBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001217994311 1297543356 /nfs/dbraw/zinc/54/33/56/1297543356.db2.gz ZEUFSZADYOZTAV-CBAPKCEASA-N 1 0 335.282 2.481 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1csc(-c2ccccc2)n1 ZINC001222888972 1299908660 /nfs/dbraw/zinc/90/86/60/1299908660.db2.gz YPVATECJZRBVAF-OAHLLOKOSA-N 1 0 335.449 2.311 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001102041251 1300185475 /nfs/dbraw/zinc/18/54/75/1300185475.db2.gz XIZKVQKMFARCMU-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102196725 1300545806 /nfs/dbraw/zinc/54/58/06/1300545806.db2.gz WLNHYETXTXNOAF-GASCZTMLSA-N 1 0 346.431 2.115 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H](OCCC[N+](C)(C)C)[C@H]2OCCC[C@H]21 ZINC001224619112 1300671660 /nfs/dbraw/zinc/67/16/60/1300671660.db2.gz LDZIQNJZCMLDLD-PMPSAXMXSA-N 1 0 343.488 2.266 20 5 EEBDRO COc1cc(OC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC001226580473 1301470106 /nfs/dbraw/zinc/47/01/06/1301470106.db2.gz AQYILQIWUQUVHZ-UHFFFAOYSA-N 1 0 330.344 2.441 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC001229139521 1302637908 /nfs/dbraw/zinc/63/79/08/1302637908.db2.gz PAVOBPSFXZYZGF-UHFFFAOYSA-N 1 0 335.379 2.425 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2CCC2)CCCCC1 ZINC001115376552 1305012347 /nfs/dbraw/zinc/01/23/47/1305012347.db2.gz UTPMHUWFPZJAGX-UHFFFAOYSA-N 1 0 349.435 2.037 20 5 EEBDRO CCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001115381517 1305023250 /nfs/dbraw/zinc/02/32/50/1305023250.db2.gz ZLIVCBRALQHKFT-UHFFFAOYSA-N 1 0 337.424 2.037 20 5 EEBDRO CCOCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120563275 1309612847 /nfs/dbraw/zinc/61/28/47/1309612847.db2.gz GZOVZUDIRDTZSQ-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246119965 1310240992 /nfs/dbraw/zinc/24/09/92/1310240992.db2.gz YGBSJBIAOXAUGK-NTZNESFSSA-N 1 0 325.384 2.261 20 5 EEBDRO [NH3+]Cc1ccc(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001248231598 1310869437 /nfs/dbraw/zinc/86/94/37/1310869437.db2.gz XKZRMOZFISIJMU-UHFFFAOYSA-N 1 0 329.291 2.228 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)nc12 ZINC001248352094 1310893786 /nfs/dbraw/zinc/89/37/86/1310893786.db2.gz IKUDVEGFPKDCJP-AWEZNQCLSA-N 1 0 347.378 2.364 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491229 1320516767 /nfs/dbraw/zinc/51/67/67/1320516767.db2.gz HTFGZBYLRTZREP-UHFFFAOYSA-N 1 0 327.388 2.470 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857863 1315625504 /nfs/dbraw/zinc/62/55/04/1315625504.db2.gz KDMGVCADDVZNAV-KOLCDFICSA-N 1 0 326.784 2.175 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000842514340 1315718694 /nfs/dbraw/zinc/71/86/94/1315718694.db2.gz WNYQURMFRFBHGQ-MRXNPFEDSA-N 1 0 346.431 2.336 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000842583614 1315726637 /nfs/dbraw/zinc/72/66/37/1315726637.db2.gz OXRKFKJAPFTJKH-QMMMGPOBSA-N 1 0 329.316 2.222 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000842631897 1315739437 /nfs/dbraw/zinc/73/94/37/1315739437.db2.gz VSECNHNBBNCNDA-ZETCQYMHSA-N 1 0 335.320 2.320 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843354478 1315898887 /nfs/dbraw/zinc/89/88/87/1315898887.db2.gz IOOHCCKPZOIQEA-JTQLQIEISA-N 1 0 329.759 2.140 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000843453941 1315918199 /nfs/dbraw/zinc/91/81/99/1315918199.db2.gz AOTMUXVGMGVNGN-UHFFFAOYSA-N 1 0 348.359 2.027 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)F ZINC000843482740 1315921598 /nfs/dbraw/zinc/92/15/98/1315921598.db2.gz BAALAVQOXWFLPD-VIFPVBQESA-N 1 0 339.701 2.029 20 5 EEBDRO O=C(CCc1cccs1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150577461 1316304573 /nfs/dbraw/zinc/30/45/73/1316304573.db2.gz NUUOLHRKARGILZ-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO O=C(CC(F)(F)F)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155356361 1317563681 /nfs/dbraw/zinc/56/36/81/1317563681.db2.gz OSDYPYPVAIJUFB-UHFFFAOYSA-N 1 0 325.312 2.205 20 5 EEBDRO Cn1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O ZINC001254466813 1318081579 /nfs/dbraw/zinc/08/15/79/1318081579.db2.gz OFIZUNJJZPLXBB-UHFFFAOYSA-N 1 0 342.399 2.052 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCN1C(=O)C=CC1=O ZINC001254536340 1318114256 /nfs/dbraw/zinc/11/42/56/1318114256.db2.gz BZNLZWZXWKEHLN-CQSZACIVSA-N 1 0 345.399 2.211 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001254560345 1318120398 /nfs/dbraw/zinc/12/03/98/1318120398.db2.gz FDCZVMDCSCPWFJ-JQFCIGGWSA-N 1 0 343.427 2.326 20 5 EEBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254572332 1318126704 /nfs/dbraw/zinc/12/67/04/1318126704.db2.gz LDMJGMJZSWHTGO-INIZCTEOSA-N 1 0 331.416 2.299 20 5 EEBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC001254583628 1318130748 /nfs/dbraw/zinc/13/07/48/1318130748.db2.gz NLSAAYHHTRAFMF-INIZCTEOSA-N 1 0 337.379 2.241 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCN(c3ncccn3)CC1)C2 ZINC001254603738 1318140037 /nfs/dbraw/zinc/14/00/37/1318140037.db2.gz QNLJRJJSKNCHML-KRWDZBQOSA-N 1 0 339.399 2.064 20 5 EEBDRO CCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157419695 1318624670 /nfs/dbraw/zinc/62/46/70/1318624670.db2.gz KBBNRCVRKGIBIZ-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093748 1318645767 /nfs/dbraw/zinc/64/57/67/1318645767.db2.gz PUGFPRBWJZXJRT-MRXNPFEDSA-N 1 0 349.431 2.419 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001157750455 1318834539 /nfs/dbraw/zinc/83/45/39/1318834539.db2.gz KMSFFQHTEDPJAU-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO Cc1ncn(-c2cc(Cl)ncc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961581 1318949395 /nfs/dbraw/zinc/94/93/95/1318949395.db2.gz HXCZPNZKVBUVQV-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc([N+](=O)[O-])s3)o2)C[C@H](C)O1 ZINC001258013475 1319128742 /nfs/dbraw/zinc/12/87/42/1319128742.db2.gz WKFOADDKWPRUBS-AOOOYVTPSA-N 1 0 338.389 2.358 20 5 EEBDRO COc1ccnc(N(c2ncc([N+](=O)[O-])cc2F)C2CC[NH2+]CC2)c1 ZINC001158320506 1319172826 /nfs/dbraw/zinc/17/28/26/1319172826.db2.gz MONLMSSHRDXGLL-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(C[NH2+]C4)CC3)nn2)ccc1F ZINC001159049211 1319578242 /nfs/dbraw/zinc/57/82/42/1319578242.db2.gz AFHGYSKCAKDBBH-UHFFFAOYSA-N 1 0 343.362 2.381 20 5 EEBDRO CCc1cccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001160041611 1320054166 /nfs/dbraw/zinc/05/41/66/1320054166.db2.gz ISTYKSMBISWWRO-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc2c1 ZINC001160737197 1320253514 /nfs/dbraw/zinc/25/35/14/1320253514.db2.gz OOOKCMMRMYBMMQ-UWVGGRQHSA-N 1 0 341.293 2.490 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001161182139 1320412050 /nfs/dbraw/zinc/41/20/50/1320412050.db2.gz WKOACSHVDCXAOF-ZDUSSCGKSA-N 1 0 348.403 2.453 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001161934968 1320682858 /nfs/dbraw/zinc/68/28/58/1320682858.db2.gz JWKUEMGXVOZXOE-UHFFFAOYSA-N 1 0 345.142 2.333 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001161939917 1320684884 /nfs/dbraw/zinc/68/48/84/1320684884.db2.gz JKOSFIGWFMMMSE-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO COCCC1([NH3+])CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001162041835 1320730898 /nfs/dbraw/zinc/73/08/98/1320730898.db2.gz QSJQXACUFZRNBE-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCOC34C[NH2+]C4)ccc2c1 ZINC001163080752 1321030444 /nfs/dbraw/zinc/03/04/44/1321030444.db2.gz IBFKANFXGXKKJS-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NCc1noc3c1C[NH2+]CC3)CCCC2 ZINC001163130031 1321045720 /nfs/dbraw/zinc/04/57/20/1321045720.db2.gz SUUTYCPCNWSJCC-UHFFFAOYSA-N 1 0 329.360 2.114 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC1CCC(C[NH+](C)C)CC1 ZINC001163296629 1321090014 /nfs/dbraw/zinc/09/00/14/1321090014.db2.gz NWIGLTAUMBWLEU-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO CCOc1nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165352007 1321506986 /nfs/dbraw/zinc/50/69/86/1321506986.db2.gz QHJOEFMPXWYRTH-LSDHHAIUSA-N 1 0 340.383 2.464 20 5 EEBDRO CCCOCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204700201 1322212787 /nfs/dbraw/zinc/21/27/87/1322212787.db2.gz UIAAFQTWCFJHGV-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001262652241 1322337934 /nfs/dbraw/zinc/33/79/34/1322337934.db2.gz ARMVCJLMYSVGST-ZDUSSCGKSA-N 1 0 327.331 2.287 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318389273 1332522178 /nfs/dbraw/zinc/52/21/78/1332522178.db2.gz FBHSCBFBBICQMW-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318433219 1332533222 /nfs/dbraw/zinc/53/32/22/1332533222.db2.gz GIOGJVDBRNXBKS-UONOGXRCSA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001320024439 1332812371 /nfs/dbraw/zinc/81/23/71/1332812371.db2.gz SYNIJDIJKBMNBA-GJZGRUSLSA-N 1 0 332.404 2.493 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC001609602210 1352031461 /nfs/dbraw/zinc/03/14/61/1352031461.db2.gz REOASVNNSUJVIR-UHFFFAOYSA-N 1 0 345.407 2.453 20 5 EEBDRO CCOc1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001336704486 1336583076 /nfs/dbraw/zinc/58/30/76/1336583076.db2.gz SAGDTWLIXGVSSX-MRXNPFEDSA-N 1 0 331.372 2.254 20 5 EEBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001336721297 1336585559 /nfs/dbraw/zinc/58/55/59/1336585559.db2.gz GAEONJDHEKDZLO-QGZVFWFLSA-N 1 0 345.399 2.345 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3ccco3)c2)CC1 ZINC001340881164 1337261862 /nfs/dbraw/zinc/26/18/62/1337261862.db2.gz IOCYZSXEGUQGGO-UHFFFAOYSA-N 1 0 344.371 2.121 20 5 EEBDRO O=C(CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001344070610 1337364104 /nfs/dbraw/zinc/36/41/04/1337364104.db2.gz VABKVTCPKHADFU-MRXNPFEDSA-N 1 0 345.399 2.254 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2cncc(Cl)c2)cc1 ZINC001353355263 1338246466 /nfs/dbraw/zinc/24/64/66/1338246466.db2.gz XIRHCJUDLZUHDH-HNNXBMFYSA-N 1 0 337.763 2.345 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000848479559 1338705883 /nfs/dbraw/zinc/70/58/83/1338705883.db2.gz FHPXUZRAQQBBGF-MRXNPFEDSA-N 1 0 339.399 2.362 20 5 EEBDRO C[C@]1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCC[NH2+]C1 ZINC001576525871 1344026473 /nfs/dbraw/zinc/02/64/73/1344026473.db2.gz JWAYKLZCNZLEDX-KRWDZBQOSA-N 1 0 332.404 2.289 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC001578061067 1344229756 /nfs/dbraw/zinc/22/97/56/1344229756.db2.gz MHSKDUXZMJKAAO-ZSBIGDGJSA-N 1 0 334.376 2.109 20 5 EEBDRO Cn1cc(CN[C@H](C[NH3+])c2ccc3ccccc3c2)c([N+](=O)[O-])n1 ZINC001579964993 1344439982 /nfs/dbraw/zinc/43/99/82/1344439982.db2.gz VZSIMQGLOBILIE-MRXNPFEDSA-N 1 0 325.372 2.271 20 5 EEBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC001580401145 1344518069 /nfs/dbraw/zinc/51/80/69/1344518069.db2.gz HURWZUDDPVJBCB-WCQYABFASA-N 1 0 341.323 2.390 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001589518232 1348999553 /nfs/dbraw/zinc/99/95/53/1348999553.db2.gz RCMCGUWCSAFMPA-AWEZNQCLSA-N 1 0 348.432 2.348 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590513158 1349361724 /nfs/dbraw/zinc/36/17/24/1349361724.db2.gz ONKAZCFDVSLKFM-ZDUSSCGKSA-N 1 0 345.407 2.451 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001590733139 1349394137 /nfs/dbraw/zinc/39/41/37/1349394137.db2.gz XMAFZBGUTRISLW-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591187691 1349448090 /nfs/dbraw/zinc/44/80/90/1349448090.db2.gz WTWJZPIRJYCVBT-JTQLQIEISA-N 1 0 349.370 2.058 20 5 EEBDRO Cc1c(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cccc1[N+](=O)[O-] ZINC001605487804 1351169692 /nfs/dbraw/zinc/16/96/92/1351169692.db2.gz GPIHOVFODUTABN-UHFFFAOYSA-N 1 0 330.373 2.435 20 5 EEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cs1 ZINC000815070000 1367800262 /nfs/dbraw/zinc/80/02/62/1367800262.db2.gz NSOODYGZGWFQDY-UHFFFAOYSA-N 1 0 347.462 2.201 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CCC1 ZINC001111811545 1371259424 /nfs/dbraw/zinc/25/94/24/1371259424.db2.gz ZFBVKBSIYONSAK-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1cc(NC2(CNC(=O)CCC[NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC001111902302 1371294136 /nfs/dbraw/zinc/29/41/36/1371294136.db2.gz WXNHMKAQVOISFR-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(/C=C\[C@@H]1CCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835458008 1372626091 /nfs/dbraw/zinc/62/60/91/1372626091.db2.gz NDYZWMHLGIGZFE-DSLFPGPSSA-N 1 0 346.383 2.305 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001576480711 1403577197 /nfs/dbraw/zinc/57/71/97/1403577197.db2.gz NLTDNZBXYFUWIB-AWEZNQCLSA-N 1 0 342.399 2.448 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001592134966 1404002168 /nfs/dbraw/zinc/00/21/68/1404002168.db2.gz DBNLSYZBGXDKCK-NSHDSACASA-N 1 0 339.359 2.329 20 5 EEBDRO O=C(c1ccon1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997569004 790300882 /nfs/dbraw/zinc/30/08/82/790300882.db2.gz BXFJZELWSGVHSM-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])c(OC)n2)c2ccc(C)cc12 ZINC001167120862 757351043 /nfs/dbraw/zinc/35/10/43/757351043.db2.gz BVECOMDZNVVVPI-UHFFFAOYSA-N 1 0 327.344 2.365 20 5 EEBDRO Cc1nc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC001167163466 757430690 /nfs/dbraw/zinc/43/06/90/757430690.db2.gz UKNOQAQSGDBKIF-UHFFFAOYSA-N 1 0 339.399 2.335 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167673621 761083635 /nfs/dbraw/zinc/08/36/35/761083635.db2.gz DQLUPKAQINXYEC-UHFFFAOYSA-N 1 0 327.266 2.046 20 5 EEBDRO CC(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662842 770736529 /nfs/dbraw/zinc/73/65/29/770736529.db2.gz NKXWTKUGHUHVNC-IAGOWNOFSA-N 1 0 331.416 2.023 20 5 EEBDRO C[NH+]1CCC(NC(=S)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000840790035 782991459 /nfs/dbraw/zinc/99/14/59/782991459.db2.gz SSQRNICMBLYRHM-UHFFFAOYSA-N 1 0 343.840 2.133 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091358765 790430109 /nfs/dbraw/zinc/43/01/09/790430109.db2.gz LGBIFLALLRONBJ-OKILXGFUSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000893626024 776278093 /nfs/dbraw/zinc/27/80/93/776278093.db2.gz HRFZGFYSPCBOIL-XJKCOSOUSA-N 1 0 346.431 2.480 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCC(F)(F)CC2)CC1 ZINC000981138432 776585893 /nfs/dbraw/zinc/58/58/93/776585893.db2.gz RWETYVSSOJHVPO-ZIAGYGMSSA-N 1 0 345.390 2.011 20 5 EEBDRO CSCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981609486 777772818 /nfs/dbraw/zinc/77/28/18/777772818.db2.gz IBLFMOTWPDFFKM-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO CC(C)(C)OC(=O)NCCCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734399 783316968 /nfs/dbraw/zinc/31/69/68/783316968.db2.gz CNYCSWJSEBFUSL-UHFFFAOYSA-N 1 0 338.408 2.275 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001035185560 784023346 /nfs/dbraw/zinc/02/33/46/784023346.db2.gz AFGKJIMIKJFGOP-IAGOWNOFSA-N 1 0 347.459 2.467 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906790826 784161093 /nfs/dbraw/zinc/16/10/93/784161093.db2.gz JHTKHGIDBHYTMM-CABZTGNLSA-N 1 0 340.811 2.243 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000818533624 785275726 /nfs/dbraw/zinc/27/57/26/785275726.db2.gz QWEVLCZEFIKYQD-UHFFFAOYSA-N 1 0 342.399 2.214 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000818554307 785290996 /nfs/dbraw/zinc/29/09/96/785290996.db2.gz GTQCEDPEOUXOBE-CQSZACIVSA-N 1 0 329.759 2.173 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000818948396 785338745 /nfs/dbraw/zinc/33/87/45/785338745.db2.gz DEQHGIKDHYKGER-GXSJLCMTSA-N 1 0 335.187 2.118 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818977682 785346640 /nfs/dbraw/zinc/34/66/40/785346640.db2.gz JMLUBNHLBIXKRD-LLVKDONJSA-N 1 0 343.786 2.482 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819140014 785418972 /nfs/dbraw/zinc/41/89/72/785418972.db2.gz QWUQWMKWPZZOQM-MALQSCRYSA-N 1 0 340.445 2.298 20 5 EEBDRO COc1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000819176958 785448310 /nfs/dbraw/zinc/44/83/10/785448310.db2.gz IVNGRQPFWVCWBX-MRXNPFEDSA-N 1 0 332.356 2.175 20 5 EEBDRO CN1Cc2ccccc2[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190871 785456103 /nfs/dbraw/zinc/45/61/03/785456103.db2.gz LMOLEUDGVGIDTB-QZTJIDSGSA-N 1 0 327.384 2.405 20 5 EEBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819201831 785459042 /nfs/dbraw/zinc/45/90/42/785459042.db2.gz WJXUHVREMZIWRV-YOEHRIQHSA-N 1 0 344.367 2.230 20 5 EEBDRO CCc1ccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000908596739 785551023 /nfs/dbraw/zinc/55/10/23/785551023.db2.gz BEPXJQRVSBTSOQ-UHFFFAOYSA-N 1 0 349.431 2.122 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001107233162 786548856 /nfs/dbraw/zinc/54/88/56/786548856.db2.gz LPJLRNPYNQQDHS-WAYWQWQTSA-N 1 0 334.420 2.328 20 5 EEBDRO CC(C)C[C@H]([NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973996 787866385 /nfs/dbraw/zinc/86/63/85/787866385.db2.gz REVNWFKQCNTTRH-AWEZNQCLSA-N 1 0 334.420 2.007 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000823974133 788004845 /nfs/dbraw/zinc/00/48/45/788004845.db2.gz PRHKUJBCDKQQRR-FZMZJTMJSA-N 1 0 333.392 2.125 20 5 EEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000824925853 788359732 /nfs/dbraw/zinc/35/97/32/788359732.db2.gz GGCFBZWQLYEVBZ-TXEJJXNPSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923436570 789549445 /nfs/dbraw/zinc/54/94/45/789549445.db2.gz PCKBQOAEHKHTRU-GARJFASQSA-N 1 0 340.811 2.257 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(NCc2ccccc2N2CC[NH2+]CC2)n1 ZINC001171282621 791422960 /nfs/dbraw/zinc/42/29/60/791422960.db2.gz VJBLZPWOVOJWMO-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089944252 795115852 /nfs/dbraw/zinc/11/58/52/795115852.db2.gz UIMVSAFXJFDWFF-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001168457681 795132237 /nfs/dbraw/zinc/13/22/37/795132237.db2.gz HZNBAFDXCUHOOQ-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001000675221 796130050 /nfs/dbraw/zinc/13/00/50/796130050.db2.gz UEQWJOCVVUFZHZ-QZTJIDSGSA-N 1 0 343.427 2.217 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001106809183 796667225 /nfs/dbraw/zinc/66/72/25/796667225.db2.gz DWQJKJQDRKWIKM-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO O=C(COc1ccccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171890768 796784624 /nfs/dbraw/zinc/78/46/24/796784624.db2.gz QABLXAKRLKBHIV-UHFFFAOYSA-N 1 0 343.383 2.270 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094959907 797114590 /nfs/dbraw/zinc/11/45/90/797114590.db2.gz NIIHAHVMMMWCPF-UHFFFAOYSA-N 1 0 349.435 2.174 20 5 EEBDRO C[NH+](C)C[C@@H]1COCCN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918848 797150408 /nfs/dbraw/zinc/15/04/08/797150408.db2.gz CPGZYZPTIBAXPQ-SJLPKXTDSA-N 1 0 333.432 2.105 20 5 EEBDRO CN(C)C(=O)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910314 797169109 /nfs/dbraw/zinc/16/91/09/797169109.db2.gz XLXRJZYNIBCGSS-INIZCTEOSA-N 1 0 346.431 2.141 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCCCO2)c1F ZINC001173176145 797277019 /nfs/dbraw/zinc/27/70/19/797277019.db2.gz YQTIPHYITJVORX-GFCCVEGCSA-N 1 0 341.383 2.291 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1F ZINC001173178148 797277789 /nfs/dbraw/zinc/27/77/89/797277789.db2.gz AIUFIFSLHOVXQC-WRWORJQWSA-N 1 0 340.273 2.186 20 5 EEBDRO CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CN(C)C1 ZINC001173192445 797282519 /nfs/dbraw/zinc/28/25/19/797282519.db2.gz KYXOZJQYRSTVKS-NSHDSACASA-N 1 0 325.384 2.309 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001173228875 797311221 /nfs/dbraw/zinc/31/12/21/797311221.db2.gz LBZYSQGUXMFQET-WBMJQRKESA-N 1 0 349.431 2.127 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001173234126 797312470 /nfs/dbraw/zinc/31/24/70/797312470.db2.gz NFCDHJBVQVHWND-KKXDTOCCSA-N 1 0 330.384 2.210 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000917061872 798048644 /nfs/dbraw/zinc/04/86/44/798048644.db2.gz BNNSUXUHKDYRGG-LBPRGKRZSA-N 1 0 344.415 2.383 20 5 EEBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843237048 800139568 /nfs/dbraw/zinc/13/95/68/800139568.db2.gz JZMHZMBIABVLIE-SNVBAGLBSA-N 1 0 343.347 2.286 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC001086308861 802708719 /nfs/dbraw/zinc/70/87/19/802708719.db2.gz UBUVUKBCSKEEPT-CTYIDZIISA-N 1 0 329.356 2.486 20 5 EEBDRO Cc1ocnc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086319538 802734284 /nfs/dbraw/zinc/73/42/84/802734284.db2.gz KVMCPZVCFIJQRG-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001086324645 802743068 /nfs/dbraw/zinc/74/30/68/802743068.db2.gz HKWUYPWRAOYIID-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N(CC[NH3+])c1cccnc1 ZINC001168837207 803463181 /nfs/dbraw/zinc/46/31/81/803463181.db2.gz WDMGCSSXBXYYTI-UHFFFAOYSA-N 1 0 330.344 2.263 20 5 EEBDRO CCCCCCOC(=O)CCC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983692 803547557 /nfs/dbraw/zinc/54/75/57/803547557.db2.gz KSCZETSYRBQVQJ-GJZGRUSLSA-N 1 0 342.436 2.494 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965144 803552838 /nfs/dbraw/zinc/55/28/38/803552838.db2.gz YJKZPQMLQAHEQF-IOASZLSFSA-N 1 0 327.425 2.421 20 5 EEBDRO Cc1nn(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)c1Br ZINC001168968413 803553356 /nfs/dbraw/zinc/55/33/56/803553356.db2.gz YWIHETUMRJOQIJ-NEPJUHHUSA-N 1 0 345.241 2.297 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)C1 ZINC001168967905 803553420 /nfs/dbraw/zinc/55/34/20/803553420.db2.gz UMKJLCWSPGIYRB-ROUUACIJSA-N 1 0 333.432 2.054 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC1COC1 ZINC001168972464 803555927 /nfs/dbraw/zinc/55/59/27/803555927.db2.gz NAYYUCNETQJVNK-KBPBESRZSA-N 1 0 336.388 2.008 20 5 EEBDRO O=C(c1cccc(F)c1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991276 803574555 /nfs/dbraw/zinc/57/45/55/803574555.db2.gz GDCLTKFODZVQOC-SUMWQHHRSA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035955 803579922 /nfs/dbraw/zinc/57/99/22/803579922.db2.gz MIHLKVRDVIHEOO-LSDHHAIUSA-N 1 0 347.415 2.025 20 5 EEBDRO Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037516 803581590 /nfs/dbraw/zinc/58/15/90/803581590.db2.gz SAPHRUFDMBSOFN-DOTOQJQBSA-N 1 0 331.416 2.198 20 5 EEBDRO COc1ccc(CN2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022457 803589037 /nfs/dbraw/zinc/58/90/37/803589037.db2.gz BSEJHXABJPSRLJ-IRXDYDNUSA-N 1 0 333.432 2.258 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)C1 ZINC001169026418 803591629 /nfs/dbraw/zinc/59/16/29/803591629.db2.gz WSWDPBGKQGFKJE-HOTGVXAUSA-N 1 0 343.431 2.384 20 5 EEBDRO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056323 803597507 /nfs/dbraw/zinc/59/75/07/803597507.db2.gz RSYLGWKWUZRIDF-BFHYXJOUSA-N 1 0 347.390 2.301 20 5 EEBDRO CN1CCc2c(NCC34CC[NH+](CC3)CC4)ccc([N+](=O)[O-])c2C1 ZINC001169801784 804058981 /nfs/dbraw/zinc/05/89/81/804058981.db2.gz IEXUWLGZTIIZKX-UHFFFAOYSA-N 1 0 330.432 2.481 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109452613 805489207 /nfs/dbraw/zinc/48/92/07/805489207.db2.gz XVGTZCDXRYPICJ-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO Cc1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000787571027 807155004 /nfs/dbraw/zinc/15/50/04/807155004.db2.gz IECUDFMMJVBNGN-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328388 809892984 /nfs/dbraw/zinc/89/29/84/809892984.db2.gz KHKBWMPLEWUEHD-PJODQICGSA-N 1 0 326.368 2.329 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345375 809916022 /nfs/dbraw/zinc/91/60/22/809916022.db2.gz JNKJJYLHORVVIM-UKRRQHHQSA-N 1 0 349.431 2.335 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001131097271 812389597 /nfs/dbraw/zinc/38/95/97/812389597.db2.gz HTWCMBBWBVRKRE-UHFFFAOYSA-N 1 0 349.431 2.253 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn2ccccc12 ZINC001131175966 812509716 /nfs/dbraw/zinc/50/97/16/812509716.db2.gz GCIDFWXDLYHKNC-UHFFFAOYSA-N 1 0 338.367 2.367 20 5 EEBDRO [NH3+][C@@]1(CO)CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001523009399 1119594844 /nfs/dbraw/zinc/59/48/44/1119594844.db2.gz FRRYOQHYVRADPB-FQEVSTJZSA-N 1 0 335.407 2.314 20 5 EEBDRO CC1(C)CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001548583945 1124352755 /nfs/dbraw/zinc/35/27/55/1124352755.db2.gz DLQUURXYBGOQDO-LBPRGKRZSA-N 1 0 345.321 2.352 20 5 EEBDRO CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000159898074 529401544 /nfs/dbraw/zinc/40/15/44/529401544.db2.gz NHXGGYUQZFVGFS-VXGBXAGGSA-N 1 0 341.383 2.024 20 5 EEBDRO CC[C@@](C)(O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000189718925 529508285 /nfs/dbraw/zinc/50/82/85/529508285.db2.gz ILDHLTHQWTYNSY-QGZVFWFLSA-N 1 0 332.404 2.455 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186969841 529598445 /nfs/dbraw/zinc/59/84/45/529598445.db2.gz PTBMZKWMYIQHLE-ZDUSSCGKSA-N 1 0 349.431 2.074 20 5 EEBDRO CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165144042 529654222 /nfs/dbraw/zinc/65/42/22/529654222.db2.gz HNTXAQWFVADXDW-HOTGVXAUSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000098014360 219069800 /nfs/dbraw/zinc/06/98/00/219069800.db2.gz KEDGTYKVQQGIMY-WBMJQRKESA-N 1 0 343.387 2.175 20 5 EEBDRO C[N@H+](CCCn1ccnc1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129567605 529899060 /nfs/dbraw/zinc/89/90/60/529899060.db2.gz FVYBKXRZWMNTRE-UHFFFAOYSA-N 1 0 349.366 2.281 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186776073 529902813 /nfs/dbraw/zinc/90/28/13/529902813.db2.gz FRNRTJMRWYDRAU-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178072187 232074187 /nfs/dbraw/zinc/07/41/87/232074187.db2.gz MBNWVPWGJUEMSV-CYBMUJFWSA-N 1 0 343.449 2.225 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186776755 236016466 /nfs/dbraw/zinc/01/64/66/236016466.db2.gz LEGROPNTIBUKIZ-CJNGLKHVSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000421878879 240041128 /nfs/dbraw/zinc/04/11/28/240041128.db2.gz WDZJFUIYCPDZDD-AWEZNQCLSA-N 1 0 349.431 2.129 20 5 EEBDRO CN(C(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132629098 223349504 /nfs/dbraw/zinc/34/95/04/223349504.db2.gz OUGGKUCJQACKAB-AWEZNQCLSA-N 1 0 335.404 2.493 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632204 240165813 /nfs/dbraw/zinc/16/58/13/240165813.db2.gz GJVKGSANNNUHQF-MJBXVCDLSA-N 1 0 334.420 2.147 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427137094 241382571 /nfs/dbraw/zinc/38/25/71/241382571.db2.gz QXVQLFNXPQNTRN-MFKMUULPSA-N 1 0 327.331 2.380 20 5 EEBDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438827026 242050158 /nfs/dbraw/zinc/05/01/58/242050158.db2.gz AQIHCTBFTQBAFM-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO CC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000229620147 242182736 /nfs/dbraw/zinc/18/27/36/242182736.db2.gz MZEQKSVEQVJVBV-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447318583 242266216 /nfs/dbraw/zinc/26/62/16/242266216.db2.gz KQOMLOOWGFOKQN-HZPDHXFCSA-N 1 0 344.415 2.289 20 5 EEBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000232477781 242272948 /nfs/dbraw/zinc/27/29/48/242272948.db2.gz JBCBCXLRULFTIK-BDAKNGLRSA-N 1 0 327.182 2.083 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513612 242282801 /nfs/dbraw/zinc/28/28/01/242282801.db2.gz XPLTWUUCGFKABZ-HUUCEWRRSA-N 1 0 343.387 2.164 20 5 EEBDRO C[NH+](C)C(C)(C)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812141 242319785 /nfs/dbraw/zinc/31/97/85/242319785.db2.gz JYRQFYFALBYHDL-UHFFFAOYSA-N 1 0 336.436 2.179 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000245521092 243123121 /nfs/dbraw/zinc/12/31/21/243123121.db2.gz KLFBWCJFGXGUAE-AAEUAGOBSA-N 1 0 349.387 2.126 20 5 EEBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451600815 243173958 /nfs/dbraw/zinc/17/39/58/243173958.db2.gz SWDQUYJYFHEAHV-GUYCJALGSA-N 1 0 337.420 2.412 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000452172922 243364618 /nfs/dbraw/zinc/36/46/18/243364618.db2.gz LMXAKDIPVWXRFG-GFCCVEGCSA-N 1 0 335.379 2.219 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC(C)(C)C ZINC000451106198 296150777 /nfs/dbraw/zinc/15/07/77/296150777.db2.gz VZCOLNJNWHFQAB-WDEREUQCSA-N 1 0 336.392 2.258 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc2c(s1)CCC2 ZINC000459627443 245193281 /nfs/dbraw/zinc/19/32/81/245193281.db2.gz BQVUUNDBLOWHBH-SNVBAGLBSA-N 1 0 334.401 2.053 20 5 EEBDRO C[C@@H](CCO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000093303512 218212237 /nfs/dbraw/zinc/21/22/37/218212237.db2.gz MGINKPHYBGJIPJ-HNNXBMFYSA-N 1 0 345.399 2.030 20 5 EEBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000183354306 533086593 /nfs/dbraw/zinc/08/65/93/533086593.db2.gz HIWKOBTXQHKTBF-AWEZNQCLSA-N 1 0 326.303 2.047 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1C1CC1 ZINC000267991567 256103200 /nfs/dbraw/zinc/10/32/00/256103200.db2.gz QDSILANTCNOITP-QWRGUYRKSA-N 1 0 328.372 2.431 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497413 256141522 /nfs/dbraw/zinc/14/15/22/256141522.db2.gz JXWBTEDZZWRKRQ-BBRMVZONSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159198 256121006 /nfs/dbraw/zinc/12/10/06/256121006.db2.gz HTJOETVBCLAZPW-NHYWBVRUSA-N 1 0 335.429 2.286 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000277004894 256488275 /nfs/dbraw/zinc/48/82/75/256488275.db2.gz IITNIOSBPIZZSH-OAHLLOKOSA-N 1 0 346.431 2.408 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000277163233 256502891 /nfs/dbraw/zinc/50/28/91/256502891.db2.gz LXIRXEZJPNAPHG-CYBMUJFWSA-N 1 0 332.404 2.400 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000119230650 292243156 /nfs/dbraw/zinc/24/31/56/292243156.db2.gz TXMICXABIAXSIL-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173287026 152156088 /nfs/dbraw/zinc/15/60/88/152156088.db2.gz AHYQMCSHJYNPGK-HNNXBMFYSA-N 1 0 347.415 2.354 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000081362269 159152031 /nfs/dbraw/zinc/15/20/31/159152031.db2.gz PKVQVTKJJYBEIU-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000107263232 159329301 /nfs/dbraw/zinc/32/93/01/159329301.db2.gz KYWNUVVONTXAKQ-UHFFFAOYSA-N 1 0 346.362 2.333 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+](CCCCO)C2CC2)cccc1[N+](=O)[O-] ZINC000118844146 159368601 /nfs/dbraw/zinc/36/86/01/159368601.db2.gz MLVYUJAJJNHCAQ-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462547 160347842 /nfs/dbraw/zinc/34/78/42/160347842.db2.gz PZCHCIDKDJUVPM-CHWSQXEVSA-N 1 0 328.434 2.408 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342739025 161086927 /nfs/dbraw/zinc/08/69/27/161086927.db2.gz OENOKCSIDSUZNT-ZBFHGGJFSA-N 1 0 338.404 2.083 20 5 EEBDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343390211 161131294 /nfs/dbraw/zinc/13/12/94/161131294.db2.gz MAOVGGTVIWHZCC-CZUORRHYSA-N 1 0 346.387 2.440 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@](C)(O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344450899 161228898 /nfs/dbraw/zinc/22/88/98/161228898.db2.gz QVIZJDWHTIWRFO-QGZVFWFLSA-N 1 0 330.388 2.246 20 5 EEBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000355039680 163061150 /nfs/dbraw/zinc/06/11/50/163061150.db2.gz ODYBTIGHIQBNSN-UHFFFAOYSA-N 1 0 335.360 2.384 20 5 EEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000355786364 163301627 /nfs/dbraw/zinc/30/16/27/163301627.db2.gz NQCMJFMUQMNTLL-UHFFFAOYSA-N 1 0 349.478 2.396 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356145860 163349231 /nfs/dbraw/zinc/34/92/31/163349231.db2.gz OTVQEOCMBXAOOR-HNNXBMFYSA-N 1 0 345.403 2.141 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359066543 164050230 /nfs/dbraw/zinc/05/02/30/164050230.db2.gz UIFLMNDILZDCHL-AWEZNQCLSA-N 1 0 331.376 2.219 20 5 EEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000360666067 164359996 /nfs/dbraw/zinc/35/99/96/164359996.db2.gz NLDBRNYKPVKTSY-ZJUUUORDSA-N 1 0 347.824 2.009 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)C1CC1 ZINC000360870720 164393926 /nfs/dbraw/zinc/39/39/26/164393926.db2.gz IGCBJFDYWFTEAV-IKGGRYGDSA-N 1 0 334.416 2.151 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368245567 166075523 /nfs/dbraw/zinc/07/55/23/166075523.db2.gz VHFKNSTVKOZYET-IWCQGFGOSA-N 1 0 336.436 2.443 20 5 EEBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000155035421 292533958 /nfs/dbraw/zinc/53/39/58/292533958.db2.gz SZANDZAGSUNMGB-CYBMUJFWSA-N 1 0 337.420 2.456 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC000368859187 166140238 /nfs/dbraw/zinc/14/02/38/166140238.db2.gz MJABGPUAYNZEOG-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO Cc1ccc([C@@]2(C)CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028263 166380348 /nfs/dbraw/zinc/38/03/48/166380348.db2.gz CJUPNDZJLRLKRE-ROUUACIJSA-N 1 0 344.415 2.124 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374059021 167011781 /nfs/dbraw/zinc/01/17/81/167011781.db2.gz ZJLYYJSKLKYKRI-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000272702720 269011435 /nfs/dbraw/zinc/01/14/35/269011435.db2.gz ZAKMHQMCZLYDGZ-MEDUHNTESA-N 1 0 328.372 2.242 20 5 EEBDRO COc1cc(-c2nc([C@H]3CN(C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272716855 269012156 /nfs/dbraw/zinc/01/21/56/269012156.db2.gz YSBAKKLTGCANBB-CQSZACIVSA-N 1 0 348.359 2.435 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1OC ZINC000274973228 269081015 /nfs/dbraw/zinc/08/10/15/269081015.db2.gz WNRNJLSVLIIWGI-YUTCNCBUSA-N 1 0 346.330 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000279273973 269265791 /nfs/dbraw/zinc/26/57/91/269265791.db2.gz NSTXRJMTRPPRMP-UHFFFAOYSA-N 1 0 335.385 2.429 20 5 EEBDRO C[C@@]1(O)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280202549 269338143 /nfs/dbraw/zinc/33/81/43/269338143.db2.gz USLKGDZWICRKNV-MRXNPFEDSA-N 1 0 332.360 2.382 20 5 EEBDRO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554457 274175267 /nfs/dbraw/zinc/17/52/67/274175267.db2.gz RYANZAOGAUAXQF-SUMWQHHRSA-N 1 0 343.431 2.490 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000449295237 274231123 /nfs/dbraw/zinc/23/11/23/274231123.db2.gz QUQZBGGXTOUXJQ-LBPRGKRZSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000278341347 274348885 /nfs/dbraw/zinc/34/88/85/274348885.db2.gz XPZSOZHOYJALCX-QWHCGFSZSA-N 1 0 332.404 2.065 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000279243280 274459501 /nfs/dbraw/zinc/45/95/01/274459501.db2.gz KJAHKRGWUNNUQW-XJKSGUPXSA-N 1 0 335.404 2.373 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289307876 275108717 /nfs/dbraw/zinc/10/87/17/275108717.db2.gz STQOIWBIQSDQHM-INIZCTEOSA-N 1 0 348.359 2.027 20 5 EEBDRO C[C@@H]1CCC[C@](CNc2nccc(C(N)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000290721760 275233143 /nfs/dbraw/zinc/23/31/43/275233143.db2.gz ZAMLJEDCCWETIU-BZNIZROVSA-N 1 0 335.408 2.011 20 5 EEBDRO CON(C)C(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000291333782 275295225 /nfs/dbraw/zinc/29/52/25/275295225.db2.gz UYAWPBPPFCMHTK-FNORWQNLSA-N 1 0 333.388 2.340 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291686211 275330083 /nfs/dbraw/zinc/33/00/83/275330083.db2.gz HDXBISFJGSPWGD-HNNXBMFYSA-N 1 0 343.387 2.375 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000349243378 276573645 /nfs/dbraw/zinc/57/36/45/276573645.db2.gz BJRCRZBLUKSXHI-OLZOCXBDSA-N 1 0 326.418 2.471 20 5 EEBDRO CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447527841 276954275 /nfs/dbraw/zinc/95/42/75/276954275.db2.gz GDRVFQQOQAQWOR-RYUDHWBXSA-N 1 0 349.357 2.359 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338787455 277661635 /nfs/dbraw/zinc/66/16/35/277661635.db2.gz RKJAKOLKORYWIN-STQMWFEESA-N 1 0 334.420 2.262 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000341693671 279132377 /nfs/dbraw/zinc/13/23/77/279132377.db2.gz GLXIHQOMQVSOBY-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO Cc1nn(C)c(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000110436224 279188295 /nfs/dbraw/zinc/18/82/95/279188295.db2.gz GEHXSOPQSKWLNW-UHFFFAOYSA-N 1 0 337.424 2.023 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000296682980 294039036 /nfs/dbraw/zinc/03/90/36/294039036.db2.gz IOTINMQNAGGSOF-UHFFFAOYSA-N 1 0 327.356 2.156 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000296855878 294085259 /nfs/dbraw/zinc/08/52/59/294085259.db2.gz CWHYJEUUYYYKMX-UHFFFAOYSA-N 1 0 343.836 2.456 20 5 EEBDRO COc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000301618186 294875455 /nfs/dbraw/zinc/87/54/55/294875455.db2.gz KWNWZTLKDVQBCV-LBPRGKRZSA-N 1 0 341.383 2.247 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358951 303004774 /nfs/dbraw/zinc/00/47/74/303004774.db2.gz CMWWYUKRLQPDBV-IIAWOOMASA-N 1 0 329.404 2.277 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332408875 312003075 /nfs/dbraw/zinc/00/30/75/312003075.db2.gz DZHFPOHYDXHJGO-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000332440678 312007831 /nfs/dbraw/zinc/00/78/31/312007831.db2.gz ZSTCAIGMKIQEFY-DZGCQCFKSA-N 1 0 346.431 2.250 20 5 EEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000351489082 312385095 /nfs/dbraw/zinc/38/50/95/312385095.db2.gz BZNYHOKPZUKMSF-CJNGLKHVSA-N 1 0 332.360 2.286 20 5 EEBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000414357401 313004092 /nfs/dbraw/zinc/00/40/92/313004092.db2.gz JDOMRBYEXCKYSC-UHFFFAOYSA-N 1 0 340.426 2.392 20 5 EEBDRO CCOc1cc(NC(=O)N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414762202 313079875 /nfs/dbraw/zinc/07/98/75/313079875.db2.gz VMDHYYLTRQDXDQ-JTQLQIEISA-N 1 0 340.380 2.203 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986355 313677899 /nfs/dbraw/zinc/67/78/99/313677899.db2.gz IGBGDVYCIBUJHI-SNVBAGLBSA-N 1 0 328.800 2.088 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999327 313683652 /nfs/dbraw/zinc/68/36/52/313683652.db2.gz WEJKGVIEYDDUOC-WDEREUQCSA-N 1 0 340.811 2.183 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420456196 313964659 /nfs/dbraw/zinc/96/46/59/313964659.db2.gz GSJZPNGSJITFMD-MRXNPFEDSA-N 1 0 349.412 2.136 20 5 EEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000420935322 314001732 /nfs/dbraw/zinc/00/17/32/314001732.db2.gz HSZZTVZYUIJSNV-NEPJUHHUSA-N 1 0 332.360 2.095 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000444261060 315286084 /nfs/dbraw/zinc/28/60/84/315286084.db2.gz DCWHTZFWGIGYFY-SECBINFHSA-N 1 0 342.193 2.229 20 5 EEBDRO C[NH+]1CCC(O)(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000514728766 316417425 /nfs/dbraw/zinc/41/74/25/316417425.db2.gz HSUVINIHTGTVMD-ZDUSSCGKSA-N 1 0 347.337 2.245 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000515621221 316508394 /nfs/dbraw/zinc/50/83/94/316508394.db2.gz JGLXGDANUBBFNU-BPLDGKMQSA-N 1 0 344.415 2.051 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000524720894 317023739 /nfs/dbraw/zinc/02/37/39/317023739.db2.gz LBXADZGSNNWPDK-GFCCVEGCSA-N 1 0 332.404 2.241 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524879226 317033211 /nfs/dbraw/zinc/03/32/11/317033211.db2.gz HHECXOVEYORPNU-ZFWWWQNUSA-N 1 0 349.431 2.477 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525215950 317046922 /nfs/dbraw/zinc/04/69/22/317046922.db2.gz GSTSDOOFDXOUQV-GFCCVEGCSA-N 1 0 349.387 2.127 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000543452853 318158727 /nfs/dbraw/zinc/15/87/27/318158727.db2.gz XEWFTYLGRKEZQM-CYBMUJFWSA-N 1 0 329.784 2.447 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000543608180 318163709 /nfs/dbraw/zinc/16/37/09/318163709.db2.gz HHSSONNMPWLMEQ-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO COc1ccccc1[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000543839766 318175565 /nfs/dbraw/zinc/17/55/65/318175565.db2.gz WFTCOUDXQQWWOZ-CQSZACIVSA-N 1 0 332.356 2.305 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000548041293 318348104 /nfs/dbraw/zinc/34/81/04/318348104.db2.gz GJSSBQPKYBYGMH-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCSCC2)cc1 ZINC000573596299 319949622 /nfs/dbraw/zinc/94/96/22/319949622.db2.gz MCHCFGGKAKYVJW-UHFFFAOYSA-N 1 0 344.458 2.101 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(F)c1N1CCOCC1 ZINC000577004874 320223822 /nfs/dbraw/zinc/22/38/22/320223822.db2.gz NJOSWOCMYNGWSQ-UHFFFAOYSA-N 1 0 338.383 2.078 20 5 EEBDRO [NH3+]Cc1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000577507575 320259788 /nfs/dbraw/zinc/25/97/88/320259788.db2.gz JTLDCIIJYQYRJV-UHFFFAOYSA-N 1 0 340.383 2.321 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000578131460 320296551 /nfs/dbraw/zinc/29/65/51/320296551.db2.gz BGTKWZXRLWLGHC-MRVPVSSYSA-N 1 0 347.318 2.062 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000181312547 323344225 /nfs/dbraw/zinc/34/42/25/323344225.db2.gz CYOFFXJSWGURND-LBPRGKRZSA-N 1 0 349.309 2.087 20 5 EEBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000579582819 323886028 /nfs/dbraw/zinc/88/60/28/323886028.db2.gz PEBVLNWNLDUAMG-INIZCTEOSA-N 1 0 330.384 2.475 20 5 EEBDRO COc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591028 465040801 /nfs/dbraw/zinc/04/08/01/465040801.db2.gz BMLBQRIRDATVSB-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354624241 465060326 /nfs/dbraw/zinc/06/03/26/465060326.db2.gz NZMLITBGNIWISM-ZDUSSCGKSA-N 1 0 334.420 2.417 20 5 EEBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341269558 465085182 /nfs/dbraw/zinc/08/51/82/465085182.db2.gz NNGOHPNHUFDOES-UHFFFAOYSA-N 1 0 344.415 3.037 20 5 EEBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162082 465118117 /nfs/dbraw/zinc/11/81/17/465118117.db2.gz QDFUVRQWDXVFOE-JTQLQIEISA-N 1 0 349.357 2.081 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000296282088 465142120 /nfs/dbraw/zinc/14/21/20/465142120.db2.gz HHIOKQOGWOQMSS-ZDUSSCGKSA-N 1 0 334.376 2.448 20 5 EEBDRO COc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000354823899 465174464 /nfs/dbraw/zinc/17/44/64/465174464.db2.gz YKCXFYMEZYUDPO-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533024 465219452 /nfs/dbraw/zinc/21/94/52/465219452.db2.gz PSMKGCQSGHVOIM-VHSXEESVSA-N 1 0 348.346 2.496 20 5 EEBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000351679807 465288936 /nfs/dbraw/zinc/28/89/36/465288936.db2.gz YFZJRSIYJJYWDR-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000590555987 468272738 /nfs/dbraw/zinc/27/27/38/468272738.db2.gz VZUUMPRECBEHBD-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000337434357 465367628 /nfs/dbraw/zinc/36/76/28/465367628.db2.gz WLVFHYXUADIEQT-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074330957 462588345 /nfs/dbraw/zinc/58/83/45/462588345.db2.gz PJWDXSHDNHFFGU-UHFFFAOYSA-N 1 0 339.440 2.115 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)O ZINC000128647594 462660140 /nfs/dbraw/zinc/66/01/40/462660140.db2.gz NQYUHJFWTWISPH-UHFFFAOYSA-N 1 0 327.356 2.155 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046379278 462674886 /nfs/dbraw/zinc/67/48/86/462674886.db2.gz MCJJHPBFTGYHCN-AWEZNQCLSA-N 1 0 334.420 2.468 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000089644411 462703238 /nfs/dbraw/zinc/70/32/38/462703238.db2.gz SGXQYHYBISESNY-HZPDHXFCSA-N 1 0 342.399 2.346 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115275378 462704275 /nfs/dbraw/zinc/70/42/75/462704275.db2.gz UOKOTEMZLHGMBS-RHSMWYFYSA-N 1 0 349.431 2.462 20 5 EEBDRO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000047433349 462782556 /nfs/dbraw/zinc/78/25/56/462782556.db2.gz HMXQVOLTGRXWAC-STQMWFEESA-N 1 0 335.404 2.132 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000066176278 462859579 /nfs/dbraw/zinc/85/95/79/462859579.db2.gz KAIXFBWISHJFFK-CYBMUJFWSA-N 1 0 337.424 2.036 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000091482830 462883519 /nfs/dbraw/zinc/88/35/19/462883519.db2.gz QUYKCQUMFIGIFV-LBPRGKRZSA-N 1 0 334.376 2.305 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCN1CCOCC1 ZINC000076897607 462919618 /nfs/dbraw/zinc/91/96/18/462919618.db2.gz RNGNEKOUGQOLBC-AWEZNQCLSA-N 1 0 337.420 2.194 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000590752912 468326255 /nfs/dbraw/zinc/32/62/55/468326255.db2.gz VFJJSPYHLAYUQB-HIFRSBDPSA-N 1 0 349.387 2.163 20 5 EEBDRO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1[N+](=O)[O-] ZINC000092198364 462934066 /nfs/dbraw/zinc/93/40/66/462934066.db2.gz QECPDAOTZUCIDV-AWEZNQCLSA-N 1 0 338.327 2.450 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000092630382 462967533 /nfs/dbraw/zinc/96/75/33/462967533.db2.gz BNXWJEARXVDNBH-HZPDHXFCSA-N 1 0 347.463 2.293 20 5 EEBDRO CCc1nn(C)c(NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000092828249 462983226 /nfs/dbraw/zinc/98/32/26/462983226.db2.gz YVLUVBAYJGYXRU-UHFFFAOYSA-N 1 0 329.404 2.361 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000023509335 463067908 /nfs/dbraw/zinc/06/79/08/463067908.db2.gz RDJLJQMSGZMJAG-OKILXGFUSA-N 1 0 335.404 2.132 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCSC1 ZINC000121067211 463074333 /nfs/dbraw/zinc/07/43/33/463074333.db2.gz WIFMHRLJJMQTTJ-LBPRGKRZSA-N 1 0 339.417 2.369 20 5 EEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000135104473 463118937 /nfs/dbraw/zinc/11/89/37/463118937.db2.gz BAWCMFAXDYETQF-UHFFFAOYSA-N 1 0 347.375 2.291 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000121373830 463125509 /nfs/dbraw/zinc/12/55/09/463125509.db2.gz QJYVAHXWHUZZHG-CABCVRRESA-N 1 0 334.420 2.309 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055403233 463316310 /nfs/dbraw/zinc/31/63/10/463316310.db2.gz YEGMYAFYIYJWFS-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139876984 463334127 /nfs/dbraw/zinc/33/41/27/463334127.db2.gz WSHKYJMGWAPUTH-IIAWOOMASA-N 1 0 346.431 2.338 20 5 EEBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000032245067 463367277 /nfs/dbraw/zinc/36/72/77/463367277.db2.gz CSZSHTZTHJNFHB-UHFFFAOYSA-N 1 0 338.364 2.352 20 5 EEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000071893351 463458461 /nfs/dbraw/zinc/45/84/61/463458461.db2.gz KSXWWMPHRKLDPT-UHFFFAOYSA-N 1 0 347.415 2.360 20 5 EEBDRO Cn1cc(C[N@H+](C)CCn2cccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000125240317 463520428 /nfs/dbraw/zinc/52/04/28/463520428.db2.gz KEHRKURYXVGRQA-UHFFFAOYSA-N 1 0 340.387 2.324 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000162584092 463522178 /nfs/dbraw/zinc/52/21/78/463522178.db2.gz VRBNXCOFXQGYRK-UHFFFAOYSA-N 1 0 348.403 2.232 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111292853 463673953 /nfs/dbraw/zinc/67/39/53/463673953.db2.gz CZONORKIKQDUJR-CQSZACIVSA-N 1 0 333.388 2.060 20 5 EEBDRO NC(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152433795 463690326 /nfs/dbraw/zinc/69/03/26/463690326.db2.gz WEGCALDCUNLYHR-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000170684609 463695345 /nfs/dbraw/zinc/69/53/45/463695345.db2.gz NBGISOASYDOIRZ-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283461177 463892502 /nfs/dbraw/zinc/89/25/02/463892502.db2.gz JBGUKDVLOUEXCM-HNNXBMFYSA-N 1 0 349.431 2.290 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194641261 463901186 /nfs/dbraw/zinc/90/11/86/463901186.db2.gz GTHFBAAVPDDOJM-VHSXEESVSA-N 1 0 325.321 2.180 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171744469 463917769 /nfs/dbraw/zinc/91/77/69/463917769.db2.gz NTRVBGHOEBVHHL-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000178673076 463939953 /nfs/dbraw/zinc/93/99/53/463939953.db2.gz IEMYCLVXFVRFCR-ZDUSSCGKSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186348766 463980321 /nfs/dbraw/zinc/98/03/21/463980321.db2.gz IQKMQTAHAQGPCY-UHFFFAOYSA-N 1 0 344.396 2.368 20 5 EEBDRO CCOC(=O)C1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351916281 465439205 /nfs/dbraw/zinc/43/92/05/465439205.db2.gz XSKHHFOKUFQUMO-LBPRGKRZSA-N 1 0 349.387 2.245 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000172269307 464033903 /nfs/dbraw/zinc/03/39/03/464033903.db2.gz UPWNEBCLFJESIX-UHFFFAOYSA-N 1 0 341.795 2.229 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000262773128 464045553 /nfs/dbraw/zinc/04/55/53/464045553.db2.gz BKQPFQGSHVWNDH-CABCVRRESA-N 1 0 349.434 2.411 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCN(c3ccccc3O)CC2)c1 ZINC000269674109 464053052 /nfs/dbraw/zinc/05/30/52/464053052.db2.gz BJQVGPADFBMLLS-GOSISDBHSA-N 1 0 343.383 2.156 20 5 EEBDRO CC[NH+](CC)CCSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000172821198 464149642 /nfs/dbraw/zinc/14/96/42/464149642.db2.gz ZXZMGPFDJVFQDA-UHFFFAOYSA-N 1 0 332.447 2.432 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000280463590 464208453 /nfs/dbraw/zinc/20/84/53/464208453.db2.gz FVVUDXQWBLAMOO-UHFFFAOYSA-N 1 0 349.431 2.472 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000280497137 464214220 /nfs/dbraw/zinc/21/42/20/464214220.db2.gz BTJQIHAMAANCOE-IAQYHMDHSA-N 1 0 345.355 2.491 20 5 EEBDRO Cc1nnc([C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000591053735 468400487 /nfs/dbraw/zinc/40/04/87/468400487.db2.gz HBKIBTYERPJBNA-ZDUSSCGKSA-N 1 0 331.376 2.280 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270271757 464242357 /nfs/dbraw/zinc/24/23/57/464242357.db2.gz GSQMYGMBOJFLDW-KRWDZBQOSA-N 1 0 346.431 2.407 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000173337278 464242483 /nfs/dbraw/zinc/24/24/83/464242483.db2.gz JFSVUTFKNBHRIB-JSGCOSHPSA-N 1 0 341.433 2.007 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237331631 464305216 /nfs/dbraw/zinc/30/52/16/464305216.db2.gz YKGUWZZMUOGMCB-UHFFFAOYSA-N 1 0 325.796 2.249 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180439175 464310914 /nfs/dbraw/zinc/31/09/14/464310914.db2.gz VNAIISRXIVGNRC-GFCCVEGCSA-N 1 0 348.403 2.404 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237410586 464315387 /nfs/dbraw/zinc/31/53/87/464315387.db2.gz GLKNDVXMJZBEIX-RKDXNWHRSA-N 1 0 342.193 2.309 20 5 EEBDRO COCCO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000188825876 464376494 /nfs/dbraw/zinc/37/64/94/464376494.db2.gz XCDPQPYKUZNGJC-ZDUSSCGKSA-N 1 0 346.330 2.434 20 5 EEBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000238052256 464424762 /nfs/dbraw/zinc/42/47/62/464424762.db2.gz ADTDXDXOGLBRDV-CQSZACIVSA-N 1 0 337.445 2.129 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000281448091 464459089 /nfs/dbraw/zinc/45/90/89/464459089.db2.gz FBKQJKCXUZQNCL-ZBFHGGJFSA-N 1 0 347.415 2.225 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285346951 464532627 /nfs/dbraw/zinc/53/26/27/464532627.db2.gz YYBJPNSUCANAOZ-NSHDSACASA-N 1 0 349.416 2.021 20 5 EEBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CC(C)(C)O ZINC000189947284 464568171 /nfs/dbraw/zinc/56/81/71/464568171.db2.gz ITFKCOSZTHRQOC-GFCCVEGCSA-N 1 0 348.403 2.013 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000182190942 464595403 /nfs/dbraw/zinc/59/54/03/464595403.db2.gz SGXMHNNHUDYDPI-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281927229 464637615 /nfs/dbraw/zinc/63/76/15/464637615.db2.gz DAEBKCBNOHHTTA-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247709490 464702982 /nfs/dbraw/zinc/70/29/82/464702982.db2.gz ZVDCJVUIMKMIGT-WMLDXEAASA-N 1 0 332.404 2.453 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000190853674 464733584 /nfs/dbraw/zinc/73/35/84/464733584.db2.gz TUONOPMSKWMWAJ-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936150 464740476 /nfs/dbraw/zinc/74/04/76/464740476.db2.gz FAQUPTMWRLQFMO-QOWREQOWSA-N 1 0 333.388 2.325 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248573716 464765927 /nfs/dbraw/zinc/76/59/27/464765927.db2.gz DCZZDVHGMZQGEP-QLFBSQMISA-N 1 0 344.415 2.004 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997415 464769181 /nfs/dbraw/zinc/76/91/81/464769181.db2.gz YCOWWKNLXLZZRF-DZGCQCFKSA-N 1 0 333.388 2.059 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000282349380 464784325 /nfs/dbraw/zinc/78/43/25/464784325.db2.gz GZTXENYOQWOMIF-IAGOWNOFSA-N 1 0 346.431 2.406 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000248884417 464814826 /nfs/dbraw/zinc/81/48/26/464814826.db2.gz UEVVBNDIAKBMBD-GXTWGEPZSA-N 1 0 333.388 2.160 20 5 EEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000286160527 464823063 /nfs/dbraw/zinc/82/30/63/464823063.db2.gz WHAWPJMZLURBKQ-UHFFFAOYSA-N 1 0 331.376 2.088 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000276144090 464823019 /nfs/dbraw/zinc/82/30/19/464823019.db2.gz BPEBEVFCHOMRGX-UHFFFAOYSA-N 1 0 325.413 2.245 20 5 EEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCC1 ZINC000276157146 464828433 /nfs/dbraw/zinc/82/84/33/464828433.db2.gz FQRQXUCIPWQYMC-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192005810 464846023 /nfs/dbraw/zinc/84/60/23/464846023.db2.gz BTRPCWZNJDWWJM-HNNXBMFYSA-N 1 0 335.404 2.008 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286274597 464864786 /nfs/dbraw/zinc/86/47/86/464864786.db2.gz BKYDPYRPRXTIBL-WADBZAEESA-N 1 0 346.383 2.317 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176924496 464888361 /nfs/dbraw/zinc/88/83/61/464888361.db2.gz UBKUOFONZMTRMK-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000192526194 464941301 /nfs/dbraw/zinc/94/13/01/464941301.db2.gz LYYYQDMZLIVLDK-CYBMUJFWSA-N 1 0 334.401 2.230 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177178093 464950871 /nfs/dbraw/zinc/95/08/71/464950871.db2.gz GGUUFIAQVLUBEQ-NEPJUHHUSA-N 1 0 335.429 2.428 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239293 464988344 /nfs/dbraw/zinc/98/83/44/464988344.db2.gz UNPHWEFNTAXVTL-LKFCYVNXSA-N 1 0 348.359 2.024 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286644767 464990063 /nfs/dbraw/zinc/99/00/63/464990063.db2.gz WCLNQSUQLMRDBW-UHFFFAOYSA-N 1 0 346.387 2.245 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298363015 465374503 /nfs/dbraw/zinc/37/45/03/465374503.db2.gz GBNMOHOHJTVAGL-NWDGAFQWSA-N 1 0 337.376 2.041 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000342931607 465396430 /nfs/dbraw/zinc/39/64/30/465396430.db2.gz XFLJCNPZUZIZNF-ZDUSSCGKSA-N 1 0 341.433 2.049 20 5 EEBDRO Cc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000351898142 465428331 /nfs/dbraw/zinc/42/83/31/465428331.db2.gz QIWIPDCSUHZVKH-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551117 465449185 /nfs/dbraw/zinc/44/91/85/465449185.db2.gz ZHNSVABFAOXTAG-NWDGAFQWSA-N 1 0 334.376 2.386 20 5 EEBDRO COc1cccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000298692923 465473449 /nfs/dbraw/zinc/47/34/49/465473449.db2.gz RUFRIPJZJLNHEG-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299057348 465581515 /nfs/dbraw/zinc/58/15/15/465581515.db2.gz PVDZGCPQDPCUQD-GOEBONIOSA-N 1 0 328.372 2.433 20 5 EEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360648625 465590524 /nfs/dbraw/zinc/59/05/24/465590524.db2.gz SCGCVFCWXGZOAS-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EEBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC=CCC1 ZINC000362262761 465614726 /nfs/dbraw/zinc/61/47/26/465614726.db2.gz QBBFLRYMEUDANB-OAHLLOKOSA-N 1 0 335.404 2.061 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371233171 465659086 /nfs/dbraw/zinc/65/90/86/465659086.db2.gz WUSKTIRUJCQBKC-MGPQQGTHSA-N 1 0 333.388 2.280 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000344578662 465690629 /nfs/dbraw/zinc/69/06/29/465690629.db2.gz JSLMTURLQKCARR-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000357018542 465705044 /nfs/dbraw/zinc/70/50/44/465705044.db2.gz ABHHUXKGBNRRRS-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000340103463 465769486 /nfs/dbraw/zinc/76/94/86/465769486.db2.gz IEYIQUHSNLVLNS-KBPBESRZSA-N 1 0 334.420 2.339 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331045356 465909790 /nfs/dbraw/zinc/90/97/90/465909790.db2.gz UAZFUQHNEZPSDY-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346216006 465999447 /nfs/dbraw/zinc/99/94/47/465999447.db2.gz ZPOMTPTVYVLVGT-JTQLQIEISA-N 1 0 334.401 2.398 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346229323 466011588 /nfs/dbraw/zinc/01/15/88/466011588.db2.gz LUSUMMVUSKATDC-XHBSWPGZSA-N 1 0 332.404 2.101 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362888969 466100789 /nfs/dbraw/zinc/10/07/89/466100789.db2.gz CJAXYNILLCOINP-DYVFJYSZSA-N 1 0 347.415 2.162 20 5 EEBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CC(C)(C)O ZINC000302493766 466146919 /nfs/dbraw/zinc/14/69/19/466146919.db2.gz LCOUQWVRWDHCPB-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1CCO ZINC000302533226 466151810 /nfs/dbraw/zinc/15/18/10/466151810.db2.gz LVBMUGMITZUTOC-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000346798014 466161357 /nfs/dbraw/zinc/16/13/57/466161357.db2.gz PDNIGLBZVDBVQS-ZFWWWQNUSA-N 1 0 340.445 2.473 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000346830811 466182992 /nfs/dbraw/zinc/18/29/92/466182992.db2.gz PDPSBJNKFLYSQF-TVYUQYBPSA-N 1 0 327.331 2.365 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000331703037 466205831 /nfs/dbraw/zinc/20/58/31/466205831.db2.gz GFHQVNIFCISSQY-INIZCTEOSA-N 1 0 347.415 2.279 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1C ZINC000349784312 466239076 /nfs/dbraw/zinc/23/90/76/466239076.db2.gz PTGBYBMWSQTXER-GFCCVEGCSA-N 1 0 343.449 2.219 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000338787453 466377228 /nfs/dbraw/zinc/37/72/28/466377228.db2.gz RKJAKOLKORYWIN-CHWSQXEVSA-N 1 0 334.420 2.262 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358053388 466416636 /nfs/dbraw/zinc/41/66/36/466416636.db2.gz IIWLBXDFUWOJMU-UHFFFAOYSA-N 1 0 335.429 2.455 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000332234960 466461847 /nfs/dbraw/zinc/46/18/47/466461847.db2.gz NIDVMZXQBNWJCK-HNNXBMFYSA-N 1 0 330.388 2.488 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363582057 466490869 /nfs/dbraw/zinc/49/08/69/466490869.db2.gz LEJSAPCRYJIHCY-LLVKDONJSA-N 1 0 343.387 2.218 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000332345149 466519071 /nfs/dbraw/zinc/51/90/71/466519071.db2.gz OIHYPSYPCRVBAN-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354425836 466558221 /nfs/dbraw/zinc/55/82/21/466558221.db2.gz IOCWUXOTXVCACP-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354432675 466564364 /nfs/dbraw/zinc/56/43/64/466564364.db2.gz PCJGCQMQVNOVEL-KBPBESRZSA-N 1 0 335.404 2.305 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000347352017 466584485 /nfs/dbraw/zinc/58/44/85/466584485.db2.gz XMPLUHYQTXGYGU-UONOGXRCSA-N 1 0 348.428 2.292 20 5 EEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000320099549 466604479 /nfs/dbraw/zinc/60/44/79/466604479.db2.gz AYPYXFSDBWVXEL-LLVKDONJSA-N 1 0 335.385 2.093 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000325468815 466659550 /nfs/dbraw/zinc/65/95/50/466659550.db2.gz JVHYGBNAAXHSPT-HNNXBMFYSA-N 1 0 330.388 2.259 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423647337 466794635 /nfs/dbraw/zinc/79/46/35/466794635.db2.gz QJDXHLJDFIDKFN-KRWDZBQOSA-N 1 0 333.388 2.209 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000365620464 466884811 /nfs/dbraw/zinc/88/48/11/466884811.db2.gz HKBOZGHVXGQCTB-ZDUSSCGKSA-N 1 0 344.371 2.357 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000373816903 466929973 /nfs/dbraw/zinc/92/99/73/466929973.db2.gz WINDMQZXYWVUDF-DOTOQJQBSA-N 1 0 333.388 2.389 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000412023999 466969265 /nfs/dbraw/zinc/96/92/65/466969265.db2.gz AYEKPGAVBPRDMZ-CYBMUJFWSA-N 1 0 331.376 2.410 20 5 EEBDRO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709880 466974969 /nfs/dbraw/zinc/97/49/69/466974969.db2.gz RVTGAQBOCIGCGN-WMZOPIPTSA-N 1 0 346.475 2.361 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418095399 467044212 /nfs/dbraw/zinc/04/42/12/467044212.db2.gz VTGVCLNPNQAONE-MRVPVSSYSA-N 1 0 334.298 2.008 20 5 EEBDRO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000413110188 467171931 /nfs/dbraw/zinc/17/19/31/467171931.db2.gz HGVGVEASWIXZHN-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413125531 467174900 /nfs/dbraw/zinc/17/49/00/467174900.db2.gz FUFXSOKIGVHVBM-ZDUSSCGKSA-N 1 0 330.388 2.300 20 5 EEBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000450949166 467212941 /nfs/dbraw/zinc/21/29/41/467212941.db2.gz AAJPFCONTAJDPZ-GFCCVEGCSA-N 1 0 336.392 2.085 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432528510 467247382 /nfs/dbraw/zinc/24/73/82/467247382.db2.gz AAJRWLSMBBHDTD-JFGNBEQYSA-N 1 0 341.795 2.130 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000429078148 467298996 /nfs/dbraw/zinc/29/89/96/467298996.db2.gz RYIPDVAWIHSPTA-KGLIPLIRSA-N 1 0 346.431 2.252 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429229213 467314405 /nfs/dbraw/zinc/31/44/05/467314405.db2.gz SVXJBTVBQWYGCV-ZIAGYGMSSA-N 1 0 348.447 2.416 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452101358 467321905 /nfs/dbraw/zinc/32/19/05/467321905.db2.gz GHVHYBHCVQXLMV-CYBMUJFWSA-N 1 0 341.433 2.006 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452103282 467323485 /nfs/dbraw/zinc/32/34/85/467323485.db2.gz KDLHTDHSMVLFOY-ZDUSSCGKSA-N 1 0 341.433 2.006 20 5 EEBDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318364 467325061 /nfs/dbraw/zinc/32/50/61/467325061.db2.gz NGZXBJBCXCJYJT-YPMHNXCESA-N 1 0 341.367 2.384 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000452344378 467351647 /nfs/dbraw/zinc/35/16/47/467351647.db2.gz NRTOJFGFAWVGNE-ZDUSSCGKSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000420415741 467401039 /nfs/dbraw/zinc/40/10/39/467401039.db2.gz VDXJGUJPNRZMJR-WCQYABFASA-N 1 0 331.376 2.062 20 5 EEBDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000414321581 467402316 /nfs/dbraw/zinc/40/23/16/467402316.db2.gz CTXPUMBPBPPKQN-LBPRGKRZSA-N 1 0 326.418 2.460 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000392689603 467427873 /nfs/dbraw/zinc/42/78/73/467427873.db2.gz RUOLZTDBSRBWIP-QGZVFWFLSA-N 1 0 325.368 2.141 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C[N@@H+]1C ZINC000408069978 467504112 /nfs/dbraw/zinc/50/41/12/467504112.db2.gz HAQIRZVSRLJCMP-NEPJUHHUSA-N 1 0 328.372 2.308 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000454148473 467573060 /nfs/dbraw/zinc/57/30/60/467573060.db2.gz YOSYQOQQKCGXTK-UHFFFAOYSA-N 1 0 349.435 2.132 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448978798 467610161 /nfs/dbraw/zinc/61/01/61/467610161.db2.gz YWUAAVBZHZRKAR-JTQLQIEISA-N 1 0 327.356 2.203 20 5 EEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000449145628 467620680 /nfs/dbraw/zinc/62/06/80/467620680.db2.gz YOXSOBLWHNEVEI-ZDUSSCGKSA-N 1 0 341.433 2.041 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000492722678 467727439 /nfs/dbraw/zinc/72/74/39/467727439.db2.gz OGZXTOGGXYACDB-ZDUSSCGKSA-N 1 0 335.404 2.471 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000457047243 467739105 /nfs/dbraw/zinc/73/91/05/467739105.db2.gz CKESZFQAMZKPLW-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000449939121 467747708 /nfs/dbraw/zinc/74/77/08/467747708.db2.gz IDRHNMQJOXTJTD-TZMCWYRMSA-N 1 0 333.388 2.157 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450109058 467778618 /nfs/dbraw/zinc/77/86/18/467778618.db2.gz ZUFBIWNBOOVVOO-BLLLJJGKSA-N 1 0 345.399 2.157 20 5 EEBDRO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000450303922 467822064 /nfs/dbraw/zinc/82/20/64/467822064.db2.gz KFPRLRBEMHQAHW-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000493304070 467882186 /nfs/dbraw/zinc/88/21/86/467882186.db2.gz QLINFIUCEIFCMB-AJHXJQRKSA-N 1 0 347.415 2.225 20 5 EEBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000493426536 467908981 /nfs/dbraw/zinc/90/89/81/467908981.db2.gz UTMQJHIRUBAXOP-FMIHOVHFSA-N 1 0 333.363 2.489 20 5 EEBDRO CNC(=O)c1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000450871763 467923263 /nfs/dbraw/zinc/92/32/63/467923263.db2.gz AZCARCPVZYVBDV-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000530954096 468019756 /nfs/dbraw/zinc/01/97/56/468019756.db2.gz NYMJDWXKZCVGIR-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494203204 468036761 /nfs/dbraw/zinc/03/67/61/468036761.db2.gz AVTRRVKEVRDRLD-BDJLRTHQSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556637 468088252 /nfs/dbraw/zinc/08/82/52/468088252.db2.gz MRCOQTNXCQNXGD-DYVFJYSZSA-N 1 0 346.383 2.261 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589320655 468142885 /nfs/dbraw/zinc/14/28/85/468142885.db2.gz AAUTVGWOHYQYRH-UHFFFAOYSA-N 1 0 343.383 2.311 20 5 EEBDRO O=C(CNc1ccsc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000590062603 468210633 /nfs/dbraw/zinc/21/06/33/468210633.db2.gz YGAZMWFIQJWEIA-UHFFFAOYSA-N 1 0 326.422 2.060 20 5 EEBDRO NC(=O)C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591848886 468529915 /nfs/dbraw/zinc/52/99/15/468529915.db2.gz ICBKVZYLCCPQIB-VIFPVBQESA-N 1 0 342.193 2.055 20 5 EEBDRO C[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000569841031 468552456 /nfs/dbraw/zinc/55/24/56/468552456.db2.gz MZUBUCZFYXHNFG-KGLIPLIRSA-N 1 0 335.404 2.116 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000594504392 468611455 /nfs/dbraw/zinc/61/14/55/468611455.db2.gz MJGQSIXWHHXCBQ-HOTGVXAUSA-N 1 0 342.399 2.438 20 5 EEBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583079784 468641041 /nfs/dbraw/zinc/64/10/41/468641041.db2.gz LNMBJBLTNBMSTD-BBRMVZONSA-N 1 0 346.383 2.261 20 5 EEBDRO COc1ccc(CC(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000592324903 468677611 /nfs/dbraw/zinc/67/76/11/468677611.db2.gz VNWXHUJSEDPUAS-UHFFFAOYSA-N 1 0 343.383 2.133 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592328304 468678193 /nfs/dbraw/zinc/67/81/93/468678193.db2.gz AZSWIVJCUGLEIO-SNVBAGLBSA-N 1 0 342.193 2.229 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592431345 468697110 /nfs/dbraw/zinc/69/71/10/468697110.db2.gz VMZPXGFPENURFA-UHFFFAOYSA-N 1 0 343.383 2.327 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961903 468732303 /nfs/dbraw/zinc/73/23/03/468732303.db2.gz PAGJSYFJEPQWLS-GPAUDHNESA-N 1 0 326.418 2.383 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000595036307 468747376 /nfs/dbraw/zinc/74/73/76/468747376.db2.gz QSXQJEOWQJSDPQ-LLVKDONJSA-N 1 0 342.417 2.079 20 5 EEBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)cc1 ZINC000601245825 468796458 /nfs/dbraw/zinc/79/64/58/468796458.db2.gz LMXKBQGRENIGHJ-AWEZNQCLSA-N 1 0 328.372 2.236 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598265342 468811770 /nfs/dbraw/zinc/81/17/70/468811770.db2.gz SEBRTOIEDUSIIH-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688590 468824094 /nfs/dbraw/zinc/82/40/94/468824094.db2.gz XESSEBNXMFPXPG-BXUZGUMPSA-N 1 0 339.392 2.191 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCCC1 ZINC000593111053 468874902 /nfs/dbraw/zinc/87/49/02/468874902.db2.gz BYYZJPGDPPEMRD-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536928 468892794 /nfs/dbraw/zinc/89/27/94/468892794.db2.gz XTBIWLXNKDEAGF-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1c(Br)c(=O)n(CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000572758209 468989054 /nfs/dbraw/zinc/98/90/54/468989054.db2.gz BWVUELOZNAWQOE-SNVBAGLBSA-N 1 0 344.209 2.217 20 5 EEBDRO C[NH+](C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCO1 ZINC000602655953 468991389 /nfs/dbraw/zinc/99/13/89/468991389.db2.gz IVJQJRDLFPETPK-AWEZNQCLSA-N 1 0 348.403 2.279 20 5 EEBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683674 469010398 /nfs/dbraw/zinc/01/03/98/469010398.db2.gz KKYPVJWOOJGCQD-LURJTMIESA-N 1 0 336.211 2.033 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000593535067 469021695 /nfs/dbraw/zinc/02/16/95/469021695.db2.gz UNMWVHWANLCVLJ-UKRRQHHQSA-N 1 0 335.379 2.219 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000602804771 469087384 /nfs/dbraw/zinc/08/73/84/469087384.db2.gz KGRVLSQWXSIFPJ-UHFFFAOYSA-N 1 0 346.435 2.489 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000602820187 469097820 /nfs/dbraw/zinc/09/78/20/469097820.db2.gz XSGMIVISQGGLND-MRXNPFEDSA-N 1 0 332.404 2.449 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC([NH+]4CCOCC4)CC3)c2c1 ZINC000599101789 469120816 /nfs/dbraw/zinc/12/08/16/469120816.db2.gz BPZKPXBQUROWGL-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO C[N@H+](CCc1ccccc1)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602084121 469180663 /nfs/dbraw/zinc/18/06/63/469180663.db2.gz QLBVAMHRUMXRQK-UHFFFAOYSA-N 1 0 341.411 2.428 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000602961046 469192017 /nfs/dbraw/zinc/19/20/17/469192017.db2.gz SWFJIMSYDGSLDO-LBPRGKRZSA-N 1 0 347.419 2.058 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611252771 469209591 /nfs/dbraw/zinc/20/95/91/469209591.db2.gz LSOWKOMYKMJTNU-GPCFVJJQSA-N 1 0 331.416 2.405 20 5 EEBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199676 469212368 /nfs/dbraw/zinc/21/23/68/469212368.db2.gz DNYQYJSVWAXXIJ-QGZVFWFLSA-N 1 0 336.388 2.493 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000611522456 469271326 /nfs/dbraw/zinc/27/13/26/469271326.db2.gz ABHBHVMEXVENLC-UHFFFAOYSA-N 1 0 343.431 2.226 20 5 EEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587016 469301274 /nfs/dbraw/zinc/30/12/74/469301274.db2.gz KGUPLAHXGTXUDU-STQMWFEESA-N 1 0 338.408 2.091 20 5 EEBDRO NC(=O)c1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571753 469304034 /nfs/dbraw/zinc/30/40/34/469304034.db2.gz ZPXFMQAYALNFJI-CYBMUJFWSA-N 1 0 332.404 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOC[C@@H]3CCCO3)nc2c1 ZINC000602514282 469345570 /nfs/dbraw/zinc/34/55/70/469345570.db2.gz SHKGWJKVEYYCHM-ZDUSSCGKSA-N 1 0 335.360 2.411 20 5 EEBDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000602544496 469355489 /nfs/dbraw/zinc/35/54/89/469355489.db2.gz KBBIZFDAIKUUPL-LLVKDONJSA-N 1 0 347.337 2.424 20 5 EEBDRO CN(CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)(F)F ZINC000602547599 469356281 /nfs/dbraw/zinc/35/62/81/469356281.db2.gz HZUJFPOXTQCYLZ-UHFFFAOYSA-N 1 0 332.282 2.320 20 5 EEBDRO Nc1c(Cl)cc(Cl)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000602569644 469364727 /nfs/dbraw/zinc/36/47/27/469364727.db2.gz QDPRDFRISPQPPR-UHFFFAOYSA-N 1 0 330.175 2.470 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000616240109 469403774 /nfs/dbraw/zinc/40/37/74/469403774.db2.gz FEPQHXIFRIBUSF-HNNXBMFYSA-N 1 0 332.404 2.187 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c21 ZINC000612449053 469468972 /nfs/dbraw/zinc/46/89/72/469468972.db2.gz RGBKJIUBPKUUAT-CYBMUJFWSA-N 1 0 343.387 2.203 20 5 EEBDRO COc1cc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000619506719 469628567 /nfs/dbraw/zinc/62/85/67/469628567.db2.gz YEIYRXWSOWWXKH-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO COC(=O)C1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCCC1 ZINC000619654393 469659154 /nfs/dbraw/zinc/65/91/54/469659154.db2.gz KYUWDXXKXKSIOW-UHFFFAOYSA-N 1 0 338.360 2.132 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609833421 469963907 /nfs/dbraw/zinc/96/39/07/469963907.db2.gz IGIKRGJHOJRKKW-NSHDSACASA-N 1 0 331.376 2.075 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202833 485603253 /nfs/dbraw/zinc/60/32/53/485603253.db2.gz SKKAWRUVFIOXOA-UONOGXRCSA-N 1 0 333.388 2.107 20 5 EEBDRO COC(=O)c1ccnc(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000598585784 485619785 /nfs/dbraw/zinc/61/97/85/485619785.db2.gz APRAUPUQWWOCKX-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602538262 485641420 /nfs/dbraw/zinc/64/14/20/485641420.db2.gz BUYAEGSNWDWTKO-RKDXNWHRSA-N 1 0 337.323 2.256 20 5 EEBDRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000419394544 485686568 /nfs/dbraw/zinc/68/65/68/485686568.db2.gz PLIQNKFBMQSQCT-MXWKQRLJSA-N 1 0 335.360 2.238 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420371466 534108298 /nfs/dbraw/zinc/10/82/98/534108298.db2.gz PMHBBKZOQNLBCP-UEKVPHQBSA-N 1 0 331.376 2.121 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153630402 528034520 /nfs/dbraw/zinc/03/45/20/528034520.db2.gz PXKHUJMGDYHRHR-CQSZACIVSA-N 1 0 338.408 2.382 20 5 EEBDRO C[NH+](C)CC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738075130 577998462 /nfs/dbraw/zinc/99/84/62/577998462.db2.gz DHILDCMSSWFRGB-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO CC[C@@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000732182100 577153594 /nfs/dbraw/zinc/15/35/94/577153594.db2.gz CVCXMPWIQMIYPL-SJKOYZFVSA-N 1 0 348.403 2.297 20 5 EEBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000773115943 577316957 /nfs/dbraw/zinc/31/69/57/577316957.db2.gz BXBXMQBWHMQKCJ-AWEZNQCLSA-N 1 0 347.337 2.467 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCNc2ncccn2)n1 ZINC000774220286 577389807 /nfs/dbraw/zinc/38/98/07/577389807.db2.gz VMIMDKCQAKJVHS-KBPBESRZSA-N 1 0 345.407 2.157 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000776592282 577463681 /nfs/dbraw/zinc/46/36/81/577463681.db2.gz WIQDVQURSBJGGR-QZTJIDSGSA-N 1 0 328.368 2.220 20 5 EEBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CCOC ZINC000766427232 577519184 /nfs/dbraw/zinc/51/91/84/577519184.db2.gz FAVOBYBTFVLPHJ-GFCCVEGCSA-N 1 0 349.391 2.068 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+](C)[C@H](C)C1 ZINC000761080502 577676019 /nfs/dbraw/zinc/67/60/19/577676019.db2.gz JNQYAPYCFHUUGS-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000754383998 577805589 /nfs/dbraw/zinc/80/55/89/577805589.db2.gz MCIDKJLWPFDKIW-LBPRGKRZSA-N 1 0 329.784 2.447 20 5 EEBDRO CN(C(=O)C[NH2+][C@H](CCO)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000754387691 577805702 /nfs/dbraw/zinc/80/57/02/577805702.db2.gz NXGRNODUALPCMX-CQSZACIVSA-N 1 0 349.412 2.332 20 5 EEBDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000754536705 577808161 /nfs/dbraw/zinc/80/81/61/577808161.db2.gz CWQOOLJARDTFKD-HNNXBMFYSA-N 1 0 349.387 2.163 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539710 577808324 /nfs/dbraw/zinc/80/83/24/577808324.db2.gz LQHVKQCWTRCQTG-RISCZKNCSA-N 1 0 349.387 2.162 20 5 EEBDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000754540259 577808337 /nfs/dbraw/zinc/80/83/37/577808337.db2.gz OQDVIBUGMDQLPT-HNNXBMFYSA-N 1 0 349.387 2.163 20 5 EEBDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260997 577882400 /nfs/dbraw/zinc/88/24/00/577882400.db2.gz NHHJVCUNCSPJRN-FZMZJTMJSA-N 1 0 338.795 2.026 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000749802567 577982102 /nfs/dbraw/zinc/98/21/02/577982102.db2.gz YFGMHXXSBCCKAJ-GJZGRUSLSA-N 1 0 343.387 2.169 20 5 EEBDRO CC[C@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934048268 677768966 /nfs/dbraw/zinc/76/89/66/677768966.db2.gz MWKCTLFBNBHHOH-LBPRGKRZSA-N 1 0 335.408 2.267 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418083 679763508 /nfs/dbraw/zinc/76/35/08/679763508.db2.gz MOQSHTLFXSRFNQ-HNNXBMFYSA-N 1 0 334.420 2.468 20 5 EEBDRO CC[NH2+]CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160691 681249432 /nfs/dbraw/zinc/24/94/32/681249432.db2.gz FFTYPPOFIRTZTQ-UHFFFAOYSA-N 1 0 345.197 2.478 20 5 EEBDRO Cc1c(CNC(=O)N2CCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000894395475 682801095 /nfs/dbraw/zinc/80/10/95/682801095.db2.gz FPPAPPZWOWZXOF-UHFFFAOYSA-N 1 0 332.404 2.283 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000894395294 682801865 /nfs/dbraw/zinc/80/18/65/682801865.db2.gz CNVRHWBNYQHTJI-JKSUJKDBSA-N 1 0 332.404 2.281 20 5 EEBDRO COc1c(O)ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000894413325 682867456 /nfs/dbraw/zinc/86/74/56/682867456.db2.gz LVZJVOHGVVXISE-TZMCWYRMSA-N 1 0 335.404 2.368 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262026088 682885693 /nfs/dbraw/zinc/88/56/93/682885693.db2.gz NGRVEAUPGCVXGN-STQMWFEESA-N 1 0 346.431 2.026 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892899036 683177120 /nfs/dbraw/zinc/17/71/20/683177120.db2.gz IJVCLTFXNJTLBW-SMDDNHRTSA-N 1 0 342.399 2.341 20 5 EEBDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775762 683273293 /nfs/dbraw/zinc/27/32/93/683273293.db2.gz MMNUFBBGOFWYBL-SFFUCWETSA-N 1 0 343.427 2.022 20 5 EEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178935132 683507497 /nfs/dbraw/zinc/50/74/97/683507497.db2.gz SBFTVUBMLKGMPU-LLVKDONJSA-N 1 0 347.824 2.011 20 5 EEBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CC=CC1 ZINC001026010526 683744113 /nfs/dbraw/zinc/74/41/13/683744113.db2.gz KDNXRHIKUOMMMS-FVQHAEBGSA-N 1 0 341.411 2.498 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@H+](C)CCN1C ZINC000895249733 684376695 /nfs/dbraw/zinc/37/66/95/684376695.db2.gz XBWUQAOZCWXERS-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000895280385 684425217 /nfs/dbraw/zinc/42/52/17/684425217.db2.gz SZBQGSDHNGNVFK-CYBMUJFWSA-N 1 0 326.356 2.341 20 5 EEBDRO CC1(C)CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000893369138 684975078 /nfs/dbraw/zinc/97/50/78/684975078.db2.gz QJQQCLQKLFDNNT-UHFFFAOYSA-N 1 0 348.378 2.175 20 5 EEBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3N)n2)cc1 ZINC000904623341 694432891 /nfs/dbraw/zinc/43/28/91/694432891.db2.gz BDUQSFQLZLMGST-UHFFFAOYSA-N 1 0 340.343 2.351 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)CSC)cc1[N+](=O)[O-] ZINC000898305680 691934138 /nfs/dbraw/zinc/93/41/38/691934138.db2.gz NTTYAKXOJKRJRR-UHFFFAOYSA-N 1 0 342.417 2.378 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)on1 ZINC000989936788 692498041 /nfs/dbraw/zinc/49/80/41/692498041.db2.gz AQXWWHPTVAEDRR-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(c1ccon1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990030286 692596995 /nfs/dbraw/zinc/59/69/95/692596995.db2.gz WHYHBDBHAAOGHU-UHFFFAOYSA-N 1 0 336.373 2.039 20 5 EEBDRO COc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898849987 693484727 /nfs/dbraw/zinc/48/47/27/693484727.db2.gz WIBSUWQNPWANGI-HUUCEWRRSA-N 1 0 333.388 2.206 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000129134640 1177675971 /nfs/dbraw/zinc/67/59/71/1177675971.db2.gz ZTIPBTJYZYUJPB-GDBMZVCRSA-N 1 0 343.387 2.312 20 5 EEBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159788499 1188845471 /nfs/dbraw/zinc/84/54/71/1188845471.db2.gz PMTBQWBAXYVWLL-GFCCVEGCSA-N 1 0 342.193 2.167 20 5 EEBDRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905414837 1189713738 /nfs/dbraw/zinc/71/37/38/1189713738.db2.gz BVFQCTOMYLWBCD-OAHLLOKOSA-N 1 0 335.404 2.215 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000905564058 1189778247 /nfs/dbraw/zinc/77/82/47/1189778247.db2.gz JWLQDXGEITZSAC-KBPBESRZSA-N 1 0 347.337 2.245 20 5 EEBDRO Cc1c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095924 1198498370 /nfs/dbraw/zinc/49/83/70/1198498370.db2.gz RLZGGTWSJDQPPR-FUHWJXTLSA-N 1 0 330.384 2.477 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001131986099 1199172227 /nfs/dbraw/zinc/17/22/27/1199172227.db2.gz CJEOQGUOZNZXKI-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC001134269597 1199437357 /nfs/dbraw/zinc/43/73/57/1199437357.db2.gz KZSWFODBEJBSFE-UHFFFAOYSA-N 1 0 339.395 2.216 20 5 EEBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839560 1199773913 /nfs/dbraw/zinc/77/39/13/1199773913.db2.gz XIRQTUDLDQZJFS-HIFRSBDPSA-N 1 0 344.371 2.115 20 5 EEBDRO CCOC(=O)Cc1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000825947816 1199894550 /nfs/dbraw/zinc/89/45/50/1199894550.db2.gz SUXXUUATVKWCCE-UHFFFAOYSA-N 1 0 335.404 2.231 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870870270 1200921701 /nfs/dbraw/zinc/92/17/01/1200921701.db2.gz LYIAXXWTQAGNCU-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccco1 ZINC000866221125 1201469048 /nfs/dbraw/zinc/46/90/48/1201469048.db2.gz NHNWIZDKAIRRPM-NSHDSACASA-N 1 0 335.335 2.278 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC1CC1 ZINC000866305924 1201489039 /nfs/dbraw/zinc/48/90/39/1201489039.db2.gz NTMBPJHLFCDHFD-LLVKDONJSA-N 1 0 344.408 2.079 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866304858 1201489071 /nfs/dbraw/zinc/48/90/71/1201489071.db2.gz AGGMIIBMSBZCAD-SMDDNHRTSA-N 1 0 338.383 2.058 20 5 EEBDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309133 1201489559 /nfs/dbraw/zinc/48/95/59/1201489559.db2.gz BZBHLGOPOVTSJC-LBPRGKRZSA-N 1 0 325.384 2.417 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCOCC1 ZINC000866335114 1201495096 /nfs/dbraw/zinc/49/50/96/1201495096.db2.gz DSRCDESVTCLSIX-XHDPSFHLSA-N 1 0 326.368 2.042 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866777014 1201603747 /nfs/dbraw/zinc/60/37/47/1201603747.db2.gz NQSDSAJANHJYHN-HIFRSBDPSA-N 1 0 335.379 2.219 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000881471447 1201705551 /nfs/dbraw/zinc/70/55/51/1201705551.db2.gz YUJZBTCHTJJNDG-INIZCTEOSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000882075492 1201812274 /nfs/dbraw/zinc/81/22/74/1201812274.db2.gz WIPOIEGQODKCOT-TXEJJXNPSA-N 1 0 326.372 2.430 20 5 EEBDRO COc1cccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882726166 1201929026 /nfs/dbraw/zinc/92/90/26/1201929026.db2.gz LWYKUNVXYWCUQE-CQSZACIVSA-N 1 0 335.404 2.341 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095625622 1205895815 /nfs/dbraw/zinc/89/58/15/1205895815.db2.gz ZDVLBOMQTFISSL-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932279083 1207574523 /nfs/dbraw/zinc/57/45/23/1207574523.db2.gz UOLNXAWXFVUOJF-FHLIZLRMSA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@@H]1[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCN1C ZINC000935211983 1208115925 /nfs/dbraw/zinc/11/59/25/1208115925.db2.gz FIWCKCQTYORFFM-HTQZYQBOSA-N 1 0 344.774 2.134 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001095769853 1208501920 /nfs/dbraw/zinc/50/19/20/1208501920.db2.gz LPRJVEKUKHBKIA-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119413490 1229508050 /nfs/dbraw/zinc/50/80/50/1229508050.db2.gz WPPLSJRRPKPCTF-UHFFFAOYSA-N 1 0 347.462 2.150 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001045436724 1233745117 /nfs/dbraw/zinc/74/51/17/1233745117.db2.gz VIHOXLXDNALZIG-HZPDHXFCSA-N 1 0 331.416 2.131 20 5 EEBDRO CC1(C)CCC(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC001048814284 1238717719 /nfs/dbraw/zinc/71/77/19/1238717719.db2.gz CHUQUPZZEZYMGF-YYIAUSFCSA-N 1 0 349.475 2.258 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001097077814 1243673668 /nfs/dbraw/zinc/67/36/68/1243673668.db2.gz AXVNCTWWEQLUNM-JOCQHMNTSA-N 1 0 349.435 2.088 20 5 EEBDRO O=C(C[NH+]1CCCC1)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001057501423 1244013705 /nfs/dbraw/zinc/01/37/05/1244013705.db2.gz HWMQGDPIAVCBAU-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(c1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC001101370166 1245727308 /nfs/dbraw/zinc/72/73/08/1245727308.db2.gz JAAKZPUOMGUICO-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(C)OCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199603463 1285730861 /nfs/dbraw/zinc/73/08/61/1285730861.db2.gz HJOJNBISFMUIKU-UHFFFAOYSA-N 1 0 341.433 2.162 20 5 EEBDRO COCC1(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001201624770 1289703113 /nfs/dbraw/zinc/70/31/13/1289703113.db2.gz FHEMGLXYWSAIRI-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)[NH3+] ZINC000852754182 1292186480 /nfs/dbraw/zinc/18/64/80/1292186480.db2.gz BRKOVJFPRRPIKJ-SECBINFHSA-N 1 0 328.800 2.244 20 5 EEBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000855810566 1293335721 /nfs/dbraw/zinc/33/57/21/1293335721.db2.gz BTHXHLMDWYRWKY-CYBMUJFWSA-N 1 0 332.404 2.314 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cccc(Br)c3[N+](=O)[O-])C[C@H]21 ZINC000858562483 1294154968 /nfs/dbraw/zinc/15/49/68/1294154968.db2.gz JTMLYERIKNMNMO-GDGBQDQQSA-N 1 0 326.194 2.354 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858580159 1294158878 /nfs/dbraw/zinc/15/88/78/1294158878.db2.gz WPCYFUQXZLLPDJ-MNOVXSKESA-N 1 0 325.365 2.052 20 5 EEBDRO CC(C)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072382033 1295587866 /nfs/dbraw/zinc/58/78/66/1295587866.db2.gz BYWKQBVWCFSMPW-UHFFFAOYSA-N 1 0 335.379 2.377 20 5 EEBDRO COc1cc(O[C@H]2C[NH2+][C@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218386932 1297650094 /nfs/dbraw/zinc/65/00/94/1297650094.db2.gz NURUZNDDPSDSAL-RTHLEPHNSA-N 1 0 343.335 2.105 20 5 EEBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCCC1 ZINC001101626461 1299697905 /nfs/dbraw/zinc/69/79/05/1299697905.db2.gz JEVVWOHCFYYABO-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ccc1COC1CC[NH+](CCF)CC1 ZINC001223451079 1300137854 /nfs/dbraw/zinc/13/78/54/1300137854.db2.gz YAEQCSHFJNLJQJ-UHFFFAOYSA-N 1 0 340.351 2.332 20 5 EEBDRO COc1cc2oc(=O)cc(CO[C@@H](C)C[N+](C)(C)C)c2cc1OC ZINC001223605858 1300191285 /nfs/dbraw/zinc/19/12/85/1300191285.db2.gz NUVQBXYSNKROCB-LBPRGKRZSA-N 1 0 336.408 2.422 20 5 EEBDRO COC(=O)[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC001223641588 1300206602 /nfs/dbraw/zinc/20/66/02/1300206602.db2.gz BILXUGWMUVCHMW-OQMKEHIESA-N 1 0 334.372 2.451 20 5 EEBDRO COC(=O)[C@@H](OC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001223642392 1300207638 /nfs/dbraw/zinc/20/76/38/1300207638.db2.gz HVYKAQIAXFELBV-INIZCTEOSA-N 1 0 334.372 2.452 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3F)C[C@H]1[N@@H+]2C ZINC001225797369 1301159236 /nfs/dbraw/zinc/15/92/36/1301159236.db2.gz TZIHVTUBEVUEAW-HTTKSJEASA-N 1 0 338.335 2.280 20 5 EEBDRO COC(=O)c1cnc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226220905 1301307635 /nfs/dbraw/zinc/30/76/35/1301307635.db2.gz BTQVDTZVCHJWKV-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CCC1 ZINC001111827959 1303956525 /nfs/dbraw/zinc/95/65/25/1303956525.db2.gz KIUZBZSMPKBUCM-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000798141759 1304926652 /nfs/dbraw/zinc/92/66/52/1304926652.db2.gz RBSZWSRIBALDKO-GFCCVEGCSA-N 1 0 336.348 2.059 20 5 EEBDRO Cc1ocnc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235017249 1305087814 /nfs/dbraw/zinc/08/78/14/1305087814.db2.gz XTMGZKDBMZTONH-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO CC[NH+](CC)C1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001121464111 1310019739 /nfs/dbraw/zinc/01/97/39/1310019739.db2.gz KDOVLMGBFLUWCV-UHFFFAOYSA-N 1 0 347.423 2.029 20 5 EEBDRO CC(C)[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC001246683560 1310379781 /nfs/dbraw/zinc/37/97/81/1310379781.db2.gz ATDLZPUAYIXMGH-SFHVURJKSA-N 1 0 332.448 2.493 20 5 EEBDRO Cc1cc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)ccn1 ZINC001248214248 1310864119 /nfs/dbraw/zinc/86/41/19/1310864119.db2.gz MUZYKSCQSRCNOH-CQSZACIVSA-N 1 0 339.355 2.461 20 5 EEBDRO C[NH2+]CCCOc1cc([N+](=O)[O-])ccc1I ZINC000830373547 1314535759 /nfs/dbraw/zinc/53/57/59/1314535759.db2.gz BSJKHPUAYJXNFM-UHFFFAOYSA-N 1 0 336.129 2.188 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000834307756 1314819504 /nfs/dbraw/zinc/81/95/04/1314819504.db2.gz HVMBTTCAXTUFBM-OTYXRUKQSA-N 1 0 341.770 2.092 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000839635742 1315224407 /nfs/dbraw/zinc/22/44/07/1315224407.db2.gz JSPQXIOIKUHHMX-OKZBNKHCSA-N 1 0 328.368 2.436 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000839706634 1315235567 /nfs/dbraw/zinc/23/55/67/1315235567.db2.gz YMRPZYWEAZFERT-ZJPYXAASSA-N 1 0 343.427 2.165 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000839778000 1315243037 /nfs/dbraw/zinc/24/30/37/1315243037.db2.gz BZLKSQREFFPTSU-IAGOWNOFSA-N 1 0 343.427 2.166 20 5 EEBDRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000842305751 1315685715 /nfs/dbraw/zinc/68/57/15/1315685715.db2.gz BMRHXCXLOUGUGF-MWQQHZPXSA-N 1 0 348.399 2.287 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000842832252 1315781779 /nfs/dbraw/zinc/78/17/79/1315781779.db2.gz BXACOPOTEBQZFB-CYBMUJFWSA-N 1 0 338.408 2.190 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000843062194 1315832660 /nfs/dbraw/zinc/83/26/60/1315832660.db2.gz NHQLIKQQGHYMBM-FDQGKXFDSA-N 1 0 346.383 2.046 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000843118559 1315847384 /nfs/dbraw/zinc/84/73/84/1315847384.db2.gz MIRGNTQKGUYXRZ-IPMKNSEASA-N 1 0 342.395 2.384 20 5 EEBDRO COc1cc(OCc2nc(CC3CC[NH2+]CC3)no2)ccc1[N+](=O)[O-] ZINC000843133360 1315851391 /nfs/dbraw/zinc/85/13/91/1315851391.db2.gz RPJKGPKVVMEWDA-UHFFFAOYSA-N 1 0 348.359 2.108 20 5 EEBDRO Cc1cc(F)cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1[N+](=O)[O-] ZINC000843456486 1315918846 /nfs/dbraw/zinc/91/88/46/1315918846.db2.gz CERYAGYLEQUVMC-UHFFFAOYSA-N 1 0 347.350 2.416 20 5 EEBDRO CC(=O)CCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154575178 1317213096 /nfs/dbraw/zinc/21/30/96/1317213096.db2.gz DVDIXQWBTOKGST-UHFFFAOYSA-N 1 0 327.406 2.012 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001155224938 1317509832 /nfs/dbraw/zinc/50/98/32/1317509832.db2.gz LSVZELRCHDOSKS-GFCCVEGCSA-N 1 0 344.799 2.186 20 5 EEBDRO COC(=O)c1ccnc(NCc2ccc3c(c2)CC[NH2+]C3)c1[N+](=O)[O-] ZINC001155268008 1317532464 /nfs/dbraw/zinc/53/24/64/1317532464.db2.gz IVPOEBNLJKZHKO-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO [NH3+]CC1CN([C@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001155375992 1317570561 /nfs/dbraw/zinc/57/05/61/1317570561.db2.gz KFQBHIUZXSAHIG-INIZCTEOSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155460796 1317606679 /nfs/dbraw/zinc/60/66/79/1317606679.db2.gz AIVAJXZRZTUWAO-VIFPVBQESA-N 1 0 333.175 2.087 20 5 EEBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001155473751 1317611896 /nfs/dbraw/zinc/61/18/96/1317611896.db2.gz FXZXDHPYHYEKFS-UHFFFAOYSA-N 1 0 340.430 2.331 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]Cc3ccsc32)n1 ZINC001155571465 1317655556 /nfs/dbraw/zinc/65/55/56/1317655556.db2.gz SYMZSLAUMGDZAU-JTQLQIEISA-N 1 0 334.357 2.094 20 5 EEBDRO Cc1ccnc(-n2c3ccccc3nc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155579185 1317657983 /nfs/dbraw/zinc/65/79/83/1317657983.db2.gz WVXFOEPCMXNTQU-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc21 ZINC001155596362 1317666971 /nfs/dbraw/zinc/66/69/71/1317666971.db2.gz HZSFQMLNRQRJCJ-ZBEGNZNMSA-N 1 0 331.376 2.042 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nc21 ZINC001155826391 1317751264 /nfs/dbraw/zinc/75/12/64/1317751264.db2.gz IRQVQJWYJZHOIB-XJKSGUPXSA-N 1 0 331.376 2.184 20 5 EEBDRO C[C@@H](C[NH+](C)C)Nc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001155922645 1317788650 /nfs/dbraw/zinc/78/86/50/1317788650.db2.gz XPTMEIOOCDSEIA-YFKPBYRVSA-N 1 0 327.694 2.419 20 5 EEBDRO Cc1ccncc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156094393 1317873562 /nfs/dbraw/zinc/87/35/62/1317873562.db2.gz XCMHHMJIJHZMCA-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO Cc1c(CC[NH3+])c(=O)[nH]n1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469426 1318082853 /nfs/dbraw/zinc/08/28/53/1318082853.db2.gz NRKCMKXZPJMKMP-UHFFFAOYSA-N 1 0 345.403 2.148 20 5 EEBDRO COCCOc1nccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254549812 1318118764 /nfs/dbraw/zinc/11/87/64/1318118764.db2.gz WUPCMJQKEMVVMR-ZDUSSCGKSA-N 1 0 346.387 2.131 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001254570120 1318124802 /nfs/dbraw/zinc/12/48/02/1318124802.db2.gz MYINMTSYFYFDSW-UKRRQHHQSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)C2 ZINC001254572542 1318126329 /nfs/dbraw/zinc/12/63/29/1318126329.db2.gz PTUWSQHFZDNHOQ-MJGOQNOKSA-N 1 0 342.395 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@]1(O)CCOc3ccccc31)C2 ZINC001254580144 1318128896 /nfs/dbraw/zinc/12/88/96/1318128896.db2.gz ZGGBHQRIDFDUJR-DNVCBOLYSA-N 1 0 340.379 2.322 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001156922355 1318290706 /nfs/dbraw/zinc/29/07/06/1318290706.db2.gz GQCSAHWBHZWPAL-UHFFFAOYSA-N 1 0 338.364 2.100 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001256081580 1318641164 /nfs/dbraw/zinc/64/11/64/1318641164.db2.gz AFSHEDFXUKIGAS-OAHLLOKOSA-N 1 0 335.404 2.341 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC3(CO)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001256084404 1318643509 /nfs/dbraw/zinc/64/35/09/1318643509.db2.gz CEZCQAMVUBDZQS-UHFFFAOYSA-N 1 0 349.431 2.324 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1-n1ccc2c1CC[NH2+]C2 ZINC001157449044 1318646793 /nfs/dbraw/zinc/64/67/93/1318646793.db2.gz FMPSNHNJXLXDLW-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO [NH3+][C@H]1CN(C(=O)c2ccc3oc4ccccc4c(=O)c3c2)C[C@H]1F ZINC001157560309 1318713855 /nfs/dbraw/zinc/71/38/55/1318713855.db2.gz SZIIVZJYRRVLFT-KGLIPLIRSA-N 1 0 326.327 2.067 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)cc2C1 ZINC001157979849 1318957217 /nfs/dbraw/zinc/95/72/17/1318957217.db2.gz KPPNLIYTKJFIJI-VIFPVBQESA-N 1 0 344.762 2.193 20 5 EEBDRO C[C@H]1C[NH+](CCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258018825 1319132030 /nfs/dbraw/zinc/13/20/30/1319132030.db2.gz GRRKINKNZPWBMY-RYUDHWBXSA-N 1 0 332.360 2.297 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc([N+](=O)[O-])cc1N ZINC001158297227 1319151460 /nfs/dbraw/zinc/15/14/60/1319151460.db2.gz WHKWECUIRWXRFP-UHFFFAOYSA-N 1 0 341.371 2.334 20 5 EEBDRO CCc1ccnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001158690787 1319381118 /nfs/dbraw/zinc/38/11/18/1319381118.db2.gz ISWQQMFPPNNVJM-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CCOC(=O)C1=C(Nc2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]C1 ZINC001159459563 1319818022 /nfs/dbraw/zinc/81/80/22/1319818022.db2.gz NXVKEQCTENSPHB-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160338380 1320138687 /nfs/dbraw/zinc/13/86/87/1320138687.db2.gz ZOJWUKNMNQRNQJ-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COCCC1([NH3+])CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001162042077 1320730912 /nfs/dbraw/zinc/73/09/12/1320730912.db2.gz UOZFRVUUWIXTES-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO COC(=O)COc1c(C)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402812 1320846191 /nfs/dbraw/zinc/84/61/91/1320846191.db2.gz ALDWMXXMMMUKSW-VXGBXAGGSA-N 1 0 337.376 2.137 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162582885 1320904191 /nfs/dbraw/zinc/90/41/91/1320904191.db2.gz GKAKESLOUDLMCY-CYBMUJFWSA-N 1 0 325.369 2.493 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162815986 1320966946 /nfs/dbraw/zinc/96/69/46/1320966946.db2.gz UWTOZOYNONSNFM-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163083256 1321031203 /nfs/dbraw/zinc/03/12/03/1321031203.db2.gz ZEIGZKLZIMTINP-LBPRGKRZSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163083254 1321031541 /nfs/dbraw/zinc/03/15/41/1321031541.db2.gz ZEIGZKLZIMTINP-GFCCVEGCSA-N 1 0 328.372 2.324 20 5 EEBDRO NC1=CC=C(C2CCN(c3cc(Cl)cc([N+](=O)[O-])n3)CC2)[NH2+]C1 ZINC001163131026 1321046380 /nfs/dbraw/zinc/04/63/80/1321046380.db2.gz KDZSITDBIQMDDI-UHFFFAOYSA-N 1 0 335.795 2.189 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1OC(F)(F)F ZINC001163154424 1321052829 /nfs/dbraw/zinc/05/28/29/1321052829.db2.gz MFNHDOFDKNXOPV-ZANVPECISA-N 1 0 347.293 2.141 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)nn2)c1 ZINC001163261817 1321080179 /nfs/dbraw/zinc/08/01/79/1321080179.db2.gz PAARVCFIKOSGLN-INWMFGNUSA-N 1 0 325.372 2.462 20 5 EEBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(Cl)nc(C)c2[N+](=O)[O-])c1 ZINC001163304259 1321091662 /nfs/dbraw/zinc/09/16/62/1321091662.db2.gz YPUOZUNAQFCPSL-LLVKDONJSA-N 1 0 337.767 2.467 20 5 EEBDRO CCOc1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c([N+](=O)[O-])c1 ZINC001163646528 1321180088 /nfs/dbraw/zinc/18/00/88/1321180088.db2.gz RYEAEQMWTSMYRI-GOEBONIOSA-N 1 0 336.392 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163649714 1321181119 /nfs/dbraw/zinc/18/11/19/1321181119.db2.gz FKXGLUJZXTYLQE-SMDDNHRTSA-N 1 0 326.784 2.356 20 5 EEBDRO Cc1ccccc1OCCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163975869 1321260670 /nfs/dbraw/zinc/26/06/70/1321260670.db2.gz JOQNHLOWHSNVAJ-UHFFFAOYSA-N 1 0 343.387 2.261 20 5 EEBDRO CC(C)(O)CC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001164366062 1321362285 /nfs/dbraw/zinc/36/22/85/1321362285.db2.gz ADLGNNJJXAWLSA-UHFFFAOYSA-N 1 0 349.431 2.132 20 5 EEBDRO Cc1ccc(F)c(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001164494368 1321395954 /nfs/dbraw/zinc/39/59/54/1321395954.db2.gz HRJDXJCYKNGDSV-GDBMZVCRSA-N 1 0 349.406 2.175 20 5 EEBDRO C[NH+]1C[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]2C1 ZINC001165148753 1321465728 /nfs/dbraw/zinc/46/57/28/1321465728.db2.gz KDGPOMOTJUIPHL-CHWSQXEVSA-N 1 0 325.372 2.050 20 5 EEBDRO [NH3+]CC1(F)CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001165264272 1321486423 /nfs/dbraw/zinc/48/64/23/1321486423.db2.gz ZRIXTFVAMYCFOH-UHFFFAOYSA-N 1 0 331.351 2.319 20 5 EEBDRO Cc1cc(N(C)C[C@@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166957541 1321825467 /nfs/dbraw/zinc/82/54/67/1321825467.db2.gz FWWLKNVQRYFIEB-CYBMUJFWSA-N 1 0 327.388 2.406 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351950723 1321971863 /nfs/dbraw/zinc/97/18/63/1321971863.db2.gz WUTRJUGBJLAWBA-GUYCJALGSA-N 1 0 335.404 2.262 20 5 EEBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC001262831428 1322381525 /nfs/dbraw/zinc/38/15/25/1322381525.db2.gz IEMFAGAMHYYVTC-UHFFFAOYSA-N 1 0 332.385 2.450 20 5 EEBDRO C[NH+](C)CCCS(=O)(=O)Oc1cccc2nc3ccccc3nc21 ZINC001309966345 1331650472 /nfs/dbraw/zinc/65/04/72/1331650472.db2.gz HJNGFMPMTJNUHO-UHFFFAOYSA-N 1 0 345.424 2.443 20 5 EEBDRO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001310449264 1331691420 /nfs/dbraw/zinc/69/14/20/1331691420.db2.gz PESHQGTVMHPRQU-UHFFFAOYSA-N 1 0 335.408 2.044 20 5 EEBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001320921986 1332979753 /nfs/dbraw/zinc/97/97/53/1332979753.db2.gz HJRJHWDCLPKPMR-OAHLLOKOSA-N 1 0 349.435 2.219 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CC=CC1 ZINC001322270560 1333239889 /nfs/dbraw/zinc/23/98/89/1333239889.db2.gz YUALFCBPHHDBDQ-LLVKDONJSA-N 1 0 339.779 2.004 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC001322743444 1333318886 /nfs/dbraw/zinc/31/88/86/1333318886.db2.gz AKXHKBVWNLTRFV-UHFFFAOYSA-N 1 0 337.424 2.388 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001609095737 1351841280 /nfs/dbraw/zinc/84/12/80/1351841280.db2.gz MCCKDZFVAJUBHW-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001323914392 1333571874 /nfs/dbraw/zinc/57/18/74/1333571874.db2.gz HLTHDNIPLOUWFZ-CYBMUJFWSA-N 1 0 343.387 2.442 20 5 EEBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609191003 1351884332 /nfs/dbraw/zinc/88/43/32/1351884332.db2.gz CDXHKNSPKOYEII-LBPRGKRZSA-N 1 0 336.421 2.348 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001326395003 1334082976 /nfs/dbraw/zinc/08/29/76/1334082976.db2.gz UYRGFTYFSUHNFU-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO CCN(CCC[NH+](CC)CC)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001609223085 1351900808 /nfs/dbraw/zinc/90/08/08/1351900808.db2.gz QWBLSVMGGZZTAZ-UHFFFAOYSA-N 1 0 347.423 2.333 20 5 EEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC001332094280 1335727022 /nfs/dbraw/zinc/72/70/22/1335727022.db2.gz GGUPTCWOLGMVAI-JTQLQIEISA-N 1 0 342.193 2.181 20 5 EEBDRO Cc1cccnc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724200 1336585966 /nfs/dbraw/zinc/58/59/66/1336585966.db2.gz ZXIAOMBNPHTDGN-UONOGXRCSA-N 1 0 331.372 2.389 20 5 EEBDRO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100278615 1338232326 /nfs/dbraw/zinc/23/23/26/1338232326.db2.gz FSUIIJBSMPZKKH-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576017419 1343946381 /nfs/dbraw/zinc/94/63/81/1343946381.db2.gz SRXWKHUILOJYBH-UONOGXRCSA-N 1 0 334.420 2.469 20 5 EEBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001576648006 1344044456 /nfs/dbraw/zinc/04/44/56/1344044456.db2.gz KRAIBDQVXWGAOG-MGPQQGTHSA-N 1 0 335.404 2.338 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001590733140 1349394878 /nfs/dbraw/zinc/39/48/78/1349394878.db2.gz XMAFZBGUTRISLW-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000829126758 1372269488 /nfs/dbraw/zinc/26/94/88/1372269488.db2.gz MJCZHSDUCFHWHF-CYBMUJFWSA-N 1 0 332.404 2.400 20 5 EEBDRO CC(C)(CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000830876857 1372356408 /nfs/dbraw/zinc/35/64/08/1372356408.db2.gz BAZXZZZVCCOHJP-INIZCTEOSA-N 1 0 333.432 2.460 20 5 EEBDRO [NH3+][C@H]1CC[C@@H](CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001574286482 1403519841 /nfs/dbraw/zinc/51/98/41/1403519841.db2.gz ZIQNCJYUJPYSEI-BDAKNGLRSA-N 1 0 334.781 2.084 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[C@@H]1C[NH3+] ZINC001576783292 1403603611 /nfs/dbraw/zinc/60/36/11/1403603611.db2.gz PSQWINFVTMMLAW-DTWKUNHWSA-N 1 0 341.799 2.279 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1CC[NH3+] ZINC001578480878 1403760783 /nfs/dbraw/zinc/76/07/83/1403760783.db2.gz NGLDFVIYPIMEEQ-UHFFFAOYSA-N 1 0 327.384 2.411 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165938683 1405717237 /nfs/dbraw/zinc/71/72/37/1405717237.db2.gz WNUCHIFDIHXIHS-PRHODGIISA-N 1 0 342.193 2.215 20 5 EEBDRO [NH3+]CC1(F)CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164393262 718812645 /nfs/dbraw/zinc/81/26/45/718812645.db2.gz SKOYQSOJUYPJDF-UHFFFAOYSA-N 1 0 338.717 2.455 20 5 EEBDRO CN(C)/C=C\c1cc(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001165044488 721948358 /nfs/dbraw/zinc/94/83/58/721948358.db2.gz BJSZMCUDRKVUDV-FPLPWBNLSA-N 1 0 333.436 2.300 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000846611131 790279086 /nfs/dbraw/zinc/27/90/86/790279086.db2.gz AMGDWJJXLLIWJB-UHFFFAOYSA-N 1 0 339.367 2.057 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(C2CC2)no1 ZINC001167465450 759687059 /nfs/dbraw/zinc/68/70/59/759687059.db2.gz LRDQYPBTHGZEOX-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COCCCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204630314 764922211 /nfs/dbraw/zinc/92/22/11/764922211.db2.gz NTFSSKAHPVQXMQ-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO [NH3+]CCc1nnn(-c2cnc3c4ccccc4c4ccccc4c3n2)n1 ZINC001167791007 770329724 /nfs/dbraw/zinc/32/97/24/770329724.db2.gz HTIMDLZMTXKCCZ-UHFFFAOYSA-N 1 0 341.378 2.413 20 5 EEBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001167945204 781095279 /nfs/dbraw/zinc/09/52/79/781095279.db2.gz PIMWZMFQUKLZND-NSHDSACASA-N 1 0 342.371 2.380 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC001135315858 783599341 /nfs/dbraw/zinc/59/93/41/783599341.db2.gz CDQPTPZOUVHZKP-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001091501368 790991016 /nfs/dbraw/zinc/99/10/16/790991016.db2.gz YKWJQAXAMVVHCB-HDJSIYSDSA-N 1 0 346.431 2.243 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000818535751 785280328 /nfs/dbraw/zinc/28/03/28/785280328.db2.gz LOXXYAYKRXHLNZ-UHFFFAOYSA-N 1 0 327.384 2.345 20 5 EEBDRO CCOC(=O)c1nc(Cl)nc(N[C@@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC001160911912 791098018 /nfs/dbraw/zinc/09/80/18/791098018.db2.gz GFZAWMZDNKCEBP-ZETCQYMHSA-N 1 0 345.787 2.000 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818977683 785346995 /nfs/dbraw/zinc/34/69/95/785346995.db2.gz JMLUBNHLBIXKRD-NSHDSACASA-N 1 0 343.786 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000819149802 785424004 /nfs/dbraw/zinc/42/40/04/785424004.db2.gz MADAUWVZJDPUQD-CJNGLKHVSA-N 1 0 346.362 2.031 20 5 EEBDRO COCC[C@H](Cc1ccco1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819222206 785477023 /nfs/dbraw/zinc/47/70/23/785477023.db2.gz UJHFIWFVIBDUHO-RHSMWYFYSA-N 1 0 334.372 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)cc1 ZINC000819266542 785499714 /nfs/dbraw/zinc/49/97/14/785499714.db2.gz FOHRXTHHRNGIDE-CQSZACIVSA-N 1 0 339.298 2.414 20 5 EEBDRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819375352 785538627 /nfs/dbraw/zinc/53/86/27/785538627.db2.gz SXCGUBAQYKEHMM-CYBMUJFWSA-N 1 0 336.369 2.266 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127740790 786592840 /nfs/dbraw/zinc/59/28/40/786592840.db2.gz NXFHUISXJOSTFO-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107279714 786697963 /nfs/dbraw/zinc/69/79/63/786697963.db2.gz AYYJYOSGXVTBCY-SNAWJCMRSA-N 1 0 338.383 2.160 20 5 EEBDRO CCC(CC)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCOCC1 ZINC000822465581 787220169 /nfs/dbraw/zinc/22/01/69/787220169.db2.gz LSWXUYXDMGWVEG-OAHLLOKOSA-N 1 0 343.468 2.075 20 5 EEBDRO Cc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000843840601 788703691 /nfs/dbraw/zinc/70/36/91/788703691.db2.gz FHDQBFLJFUETSR-GFCCVEGCSA-N 1 0 334.420 2.288 20 5 EEBDRO COc1nc(C)nc(N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546203 789142056 /nfs/dbraw/zinc/14/20/56/789142056.db2.gz UEAYFJYNDKBDOR-NSHDSACASA-N 1 0 329.360 2.286 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001093185236 794791961 /nfs/dbraw/zinc/79/19/61/794791961.db2.gz GJXFNHFNVGNEMU-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001116446913 795298328 /nfs/dbraw/zinc/29/83/28/795298328.db2.gz NGPGTOGXUCGQIS-ZJUUUORDSA-N 1 0 347.462 2.345 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172913687 797148408 /nfs/dbraw/zinc/14/84/08/797148408.db2.gz UFOSTDDFKTWZQL-DOTOQJQBSA-N 1 0 348.399 2.106 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C(=O)NCc2ccccc21 ZINC001173231531 797301099 /nfs/dbraw/zinc/30/10/99/797301099.db2.gz ANGFRANVJYEYKK-SJCJKPOMSA-N 1 0 325.368 2.487 20 5 EEBDRO CCO[C@@H]1C[C@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C1 ZINC001173224456 797307869 /nfs/dbraw/zinc/30/78/69/797307869.db2.gz HAHIRPNMLSGUGY-FHLIZLRMSA-N 1 0 333.432 2.321 20 5 EEBDRO CC1=NC2(CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1C ZINC001173232310 797312245 /nfs/dbraw/zinc/31/22/45/797312245.db2.gz AQGRCMQMQTUQPI-ZDUSSCGKSA-N 1 0 344.415 2.251 20 5 EEBDRO Cc1ccnc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173238518 797324889 /nfs/dbraw/zinc/32/48/89/797324889.db2.gz USQWRWRQCUHAAS-OAHLLOKOSA-N 1 0 341.415 2.446 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccnc1 ZINC001002215151 797718346 /nfs/dbraw/zinc/71/83/46/797718346.db2.gz LXPCMVCDFCMRKR-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC000916967667 798003277 /nfs/dbraw/zinc/00/32/77/798003277.db2.gz UJSISICWUXFHTI-GJZGRUSLSA-N 1 0 338.310 2.230 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110193827 798369050 /nfs/dbraw/zinc/36/90/50/798369050.db2.gz ZNYLZTWLVHNESI-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110227840 799754416 /nfs/dbraw/zinc/75/44/16/799754416.db2.gz OHHWINCNIDVMKA-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001086012052 801928177 /nfs/dbraw/zinc/92/81/77/801928177.db2.gz FOTFQOLZCOUFEH-OTVXOJSOSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC001086023778 801962829 /nfs/dbraw/zinc/96/28/29/801962829.db2.gz PMEGPXXFKFCASX-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC001086040699 801995030 /nfs/dbraw/zinc/99/50/30/801995030.db2.gz RSYRKLVIVJMZLT-FZNQNYSPSA-N 1 0 345.399 2.274 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086363406 802829865 /nfs/dbraw/zinc/82/98/65/802829865.db2.gz RXGISPABHWLGNZ-VDHUWJSZSA-N 1 0 345.443 2.460 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@@H](C)C[NH+](C)C ZINC001155913981 803087417 /nfs/dbraw/zinc/08/74/17/803087417.db2.gz DXNLPKBQRIOIOS-QMMMGPOBSA-N 1 0 330.772 2.182 20 5 EEBDRO [NH3+]CCN(c1cccnc1)c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001168832892 803460876 /nfs/dbraw/zinc/46/08/76/803460876.db2.gz XPTAUCCYMVZIJO-UHFFFAOYSA-N 1 0 334.767 2.407 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962972 803551671 /nfs/dbraw/zinc/55/16/71/803551671.db2.gz NMRLHFCRWBCGLX-FQUUOJAGSA-N 1 0 345.415 2.369 20 5 EEBDRO Cc1nn(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)c1Br ZINC001168968414 803553133 /nfs/dbraw/zinc/55/31/33/803553133.db2.gz YWIHETUMRJOQIJ-NWDGAFQWSA-N 1 0 345.241 2.297 20 5 EEBDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992001 803559886 /nfs/dbraw/zinc/55/98/86/803559886.db2.gz IZDJEKMVOATEMZ-DZGCQCFKSA-N 1 0 325.453 2.449 20 5 EEBDRO COc1cccc(Cn2cncc2C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168994602 803561366 /nfs/dbraw/zinc/56/13/66/803561366.db2.gz QGHRSMKOANDIOE-JKSUJKDBSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001302 803566431 /nfs/dbraw/zinc/56/64/31/803566431.db2.gz FMVBUUBUZWGLMH-IATRGZMQSA-N 1 0 327.425 2.467 20 5 EEBDRO Cc1ccccc1C(=O)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169044688 803585337 /nfs/dbraw/zinc/58/53/37/803585337.db2.gz ISPJUYSTHJPHQC-HOTGVXAUSA-N 1 0 331.416 2.198 20 5 EEBDRO O=C1N[C@H](c2ccccc2)C12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169023307 803589216 /nfs/dbraw/zinc/58/92/16/803589216.db2.gz FHOIUHXYHIZQRD-DJIMGWMZSA-N 1 0 343.427 2.385 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025912 803591213 /nfs/dbraw/zinc/59/12/13/803591213.db2.gz JVHKDBWEUXCHQJ-SJORKVTESA-N 1 0 333.432 2.128 20 5 EEBDRO COC[C@@H]1COCCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026439 803592368 /nfs/dbraw/zinc/59/23/68/803592368.db2.gz XCLGRYCBEPQFJR-OAGGEKHMSA-N 1 0 326.437 2.197 20 5 EEBDRO C[C@@H]([NH3+])c1ccn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC001169233871 803659120 /nfs/dbraw/zinc/65/91/20/803659120.db2.gz TUJANHVDRJTMGR-SNVBAGLBSA-N 1 0 326.316 2.383 20 5 EEBDRO CCOc1cc([N+](=O)[O-])ccc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242915 803666925 /nfs/dbraw/zinc/66/69/25/803666925.db2.gz ZXLNXVYCUAEPSP-UHFFFAOYSA-N 1 0 331.376 2.295 20 5 EEBDRO Cc1nn(C[NH+]2CCC3(CCOCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000789530678 808047707 /nfs/dbraw/zinc/04/77/07/808047707.db2.gz MACOHLYQVIBYEU-UHFFFAOYSA-N 1 0 345.403 2.498 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)CCSC)c([N+](=O)[O-])c1 ZINC001170297198 809869837 /nfs/dbraw/zinc/86/98/37/809869837.db2.gz LWAPALQZNGNPQH-AAEUAGOBSA-N 1 0 328.434 2.238 20 5 EEBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170305296 809874833 /nfs/dbraw/zinc/87/48/33/809874833.db2.gz IVCOZFNFDGZEDK-FPMFFAJLSA-N 1 0 336.388 2.466 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CC=CCC3)CC2)cc1 ZINC000793319005 810263569 /nfs/dbraw/zinc/26/35/69/810263569.db2.gz KIWFLINCZOXMQI-UHFFFAOYSA-N 1 0 330.432 2.415 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000808134063 812467664 /nfs/dbraw/zinc/46/76/64/812467664.db2.gz XRSNJOAAIDABSK-UHFFFAOYSA-N 1 0 345.447 2.463 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nccc2occc21 ZINC001131607616 813020127 /nfs/dbraw/zinc/02/01/27/813020127.db2.gz NVMUOGFXFBGQDM-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO COc1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000051959976 214109918 /nfs/dbraw/zinc/10/99/18/214109918.db2.gz OMJVRLUAXOPEQJ-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049969825 214038615 /nfs/dbraw/zinc/03/86/15/214038615.db2.gz MLPVKFOKVWIELO-CQSZACIVSA-N 1 0 334.420 2.195 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000449715788 295679483 /nfs/dbraw/zinc/67/94/83/295679483.db2.gz FJAFQUONUHYYCH-SNVBAGLBSA-N 1 0 337.323 2.326 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130609806 282204750 /nfs/dbraw/zinc/20/47/50/282204750.db2.gz AELZOTIDODXZKO-CYBMUJFWSA-N 1 0 345.403 2.449 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178481385 232189258 /nfs/dbraw/zinc/18/92/58/232189258.db2.gz CXBDEQWSARVTRY-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000178344265 295829238 /nfs/dbraw/zinc/82/92/38/295829238.db2.gz PCCDKIORHCRZBZ-KBPBESRZSA-N 1 0 334.420 2.149 20 5 EEBDRO Cc1csc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)n1 ZINC000183565362 235143893 /nfs/dbraw/zinc/14/38/93/235143893.db2.gz JUJZDJKNUOKOMG-AWEZNQCLSA-N 1 0 334.401 2.262 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000183636508 235176058 /nfs/dbraw/zinc/17/60/58/235176058.db2.gz LRCSCGJIHLMMKI-OAHLLOKOSA-N 1 0 332.356 2.305 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1([NH+](C)C)CCC1 ZINC000186925034 236066022 /nfs/dbraw/zinc/06/60/22/236066022.db2.gz RJSJJGAKDJEKAS-UHFFFAOYSA-N 1 0 335.404 2.377 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1([NH+](C)C)CCC1 ZINC000186972255 236082776 /nfs/dbraw/zinc/08/27/76/236082776.db2.gz MZVCFGMTKDSIJR-CYBMUJFWSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000420468531 239828417 /nfs/dbraw/zinc/82/84/17/239828417.db2.gz OFGNBCMOJNFCQX-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193234726 240069050 /nfs/dbraw/zinc/06/90/50/240069050.db2.gz VTHIEHHYLJWATF-LBPRGKRZSA-N 1 0 341.433 2.060 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193272826 240085686 /nfs/dbraw/zinc/08/56/86/240085686.db2.gz NPYXOAVWCXNPLN-LLVKDONJSA-N 1 0 347.824 2.011 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC(CC)(CC)C[NH3+])cc([N+](=O)[O-])c1 ZINC000422815856 240240706 /nfs/dbraw/zinc/24/07/06/240240706.db2.gz CRVGUGGRLQLYND-UHFFFAOYSA-N 1 0 337.376 2.019 20 5 EEBDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000424292360 240895902 /nfs/dbraw/zinc/89/59/02/240895902.db2.gz GPTIQYHDAPKRDQ-OAHLLOKOSA-N 1 0 326.418 2.387 20 5 EEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000438471443 242022541 /nfs/dbraw/zinc/02/25/41/242022541.db2.gz SONYDCAZAUBWOH-UHFFFAOYSA-N 1 0 336.417 2.199 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235439235 242282215 /nfs/dbraw/zinc/28/22/15/242282215.db2.gz VTPPGMZFJWFDPN-LDYMZIIASA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H](CC[NH+](C)C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801958 242317774 /nfs/dbraw/zinc/31/77/74/242317774.db2.gz GCZCRSRTABXADZ-CQSZACIVSA-N 1 0 336.436 2.179 20 5 EEBDRO COC(=O)c1cnc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447815832 242319690 /nfs/dbraw/zinc/31/96/90/242319690.db2.gz HXGYISWOBYSBJK-CYBMUJFWSA-N 1 0 336.392 2.309 20 5 EEBDRO [NH3+]CC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000238026809 242904247 /nfs/dbraw/zinc/90/42/47/242904247.db2.gz ZJQITCTWOPLWNG-UHFFFAOYSA-N 1 0 341.795 2.214 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000451492371 243132988 /nfs/dbraw/zinc/13/29/88/243132988.db2.gz OIBHFFMLTBTIOP-OIISXLGYSA-N 1 0 345.399 2.471 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499640 243135953 /nfs/dbraw/zinc/13/59/53/243135953.db2.gz MKBOMFLSJWVVNZ-IUIKQTSFSA-N 1 0 335.404 2.491 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451625683 243181485 /nfs/dbraw/zinc/18/14/85/243181485.db2.gz IPWANEPWAWDGTE-CVEARBPZSA-N 1 0 347.415 2.038 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000453030448 243377292 /nfs/dbraw/zinc/37/72/92/243377292.db2.gz HDSZHIVUEBHONC-NXHRZFHOSA-N 1 0 332.400 2.455 20 5 EEBDRO C[C@H]1C[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000262382542 244952590 /nfs/dbraw/zinc/95/25/90/244952590.db2.gz ODANVFQYABPNJE-KBPBESRZSA-N 1 0 347.415 2.353 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262765808 245166527 /nfs/dbraw/zinc/16/65/27/245166527.db2.gz SDLAJKZQNNHEIK-MLGOLLRUSA-N 1 0 343.387 2.122 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780567 245245118 /nfs/dbraw/zinc/24/51/18/245245118.db2.gz XYLRGTAIXKFSKT-KCPJHIHWSA-N 1 0 333.388 2.469 20 5 EEBDRO CCc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471664716 245389705 /nfs/dbraw/zinc/38/97/05/245389705.db2.gz AUNCDYAPLCLDQO-KBPBESRZSA-N 1 0 349.431 2.386 20 5 EEBDRO O=C1CCCN1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264209685 246185705 /nfs/dbraw/zinc/18/57/05/246185705.db2.gz SBDIWDJRWWMKDG-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000494227707 246918330 /nfs/dbraw/zinc/91/83/30/246918330.db2.gz QHHYSWWNEATKSY-MEDUHNTESA-N 1 0 335.360 2.050 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264957250 247084888 /nfs/dbraw/zinc/08/48/88/247084888.db2.gz YXXTVRDJOKOWGO-CQSZACIVSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266609197 248381679 /nfs/dbraw/zinc/38/16/79/248381679.db2.gz QUQNQRHSLRPDIX-WCQYABFASA-N 1 0 338.795 2.499 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434343 218226035 /nfs/dbraw/zinc/22/60/35/218226035.db2.gz IEEMTWVONNKXPQ-MRVPVSSYSA-N 1 0 329.198 2.316 20 5 EEBDRO CCC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268818076 252268372 /nfs/dbraw/zinc/26/83/72/252268372.db2.gz NARGDLISYXZACO-GOSISDBHSA-N 1 0 348.447 2.190 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([C@@H]4CC[NH2+]C4)CC3)c21 ZINC000420257351 285158714 /nfs/dbraw/zinc/15/87/14/285158714.db2.gz KEPDCOFFDBSESM-CYBMUJFWSA-N 1 0 327.388 2.364 20 5 EEBDRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184224399 533134652 /nfs/dbraw/zinc/13/46/52/533134652.db2.gz HYESVMDNEKXXBQ-LBPRGKRZSA-N 1 0 342.367 2.227 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000267460056 256061341 /nfs/dbraw/zinc/06/13/41/256061341.db2.gz UVMCGTPBCNTVBV-MLGOLLRUSA-N 1 0 343.387 2.175 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267472823 256062706 /nfs/dbraw/zinc/06/27/06/256062706.db2.gz PBDFYZODOUQZGR-SNVBAGLBSA-N 1 0 342.193 2.181 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268140435 256117942 /nfs/dbraw/zinc/11/79/42/256117942.db2.gz KEKSSDATBGCSBG-GWCFXTLKSA-N 1 0 334.376 2.061 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1[NH+](C)C ZINC000271122447 256210514 /nfs/dbraw/zinc/21/05/14/256210514.db2.gz LAIFHQNAIMXQSZ-UONOGXRCSA-N 1 0 348.428 2.194 20 5 EEBDRO O=[N+]([O-])c1cccnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273233432 256278568 /nfs/dbraw/zinc/27/85/68/256278568.db2.gz SAGKNBCRDZDLOL-HNNXBMFYSA-N 1 0 328.372 2.169 20 5 EEBDRO Cc1ccncc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273639618 256313895 /nfs/dbraw/zinc/31/38/95/256313895.db2.gz XYWKHWATXSRPQB-ZDUSSCGKSA-N 1 0 349.412 2.423 20 5 EEBDRO CCOC(=O)[C@@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000120567622 142392930 /nfs/dbraw/zinc/39/29/30/142392930.db2.gz RUQHAFSWULMHOJ-HNNXBMFYSA-N 1 0 349.387 2.259 20 5 EEBDRO Cc1ccc(Sc2ccc(C[NH2+]C(CO)CO)cc2[N+](=O)[O-])cc1 ZINC000344614704 152790002 /nfs/dbraw/zinc/79/00/02/152790002.db2.gz QEQYLMRRUIJCSU-UHFFFAOYSA-N 1 0 348.424 2.497 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389125 154176043 /nfs/dbraw/zinc/17/60/43/154176043.db2.gz FULRDBAIAFUYAK-RHSMWYFYSA-N 1 0 349.387 2.089 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+](C)C)cc1 ZINC000127657067 292328956 /nfs/dbraw/zinc/32/89/56/292328956.db2.gz UHVNDHXHZHSMGJ-OAHLLOKOSA-N 1 0 344.371 2.037 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251843944 160390564 /nfs/dbraw/zinc/39/05/64/160390564.db2.gz MYUVKZGKAZOVBW-MSQAHXEGSA-N 1 0 333.388 2.469 20 5 EEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784886 160416793 /nfs/dbraw/zinc/41/67/93/160416793.db2.gz YFEQBIZJKOAJBS-PBHICJAKSA-N 1 0 335.404 2.052 20 5 EEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000177258857 159879782 /nfs/dbraw/zinc/87/97/82/159879782.db2.gz LSNILOAIEIBMLL-UHFFFAOYSA-N 1 0 349.435 2.164 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245200341 160229885 /nfs/dbraw/zinc/22/98/85/160229885.db2.gz AGKKRPXZQDQJEM-FRRDWIJNSA-N 1 0 335.404 2.481 20 5 EEBDRO CC[C@H](CSC)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248439230 160346001 /nfs/dbraw/zinc/34/60/01/160346001.db2.gz CILNNGYMHAGBKT-CHWSQXEVSA-N 1 0 328.434 2.408 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000339954433 160885571 /nfs/dbraw/zinc/88/55/71/160885571.db2.gz FLVBTVNREKNGIZ-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000341943926 161026137 /nfs/dbraw/zinc/02/61/37/161026137.db2.gz OMRSDAZXEZHKOY-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343483843 161140255 /nfs/dbraw/zinc/14/02/55/161140255.db2.gz FDHYRIHVJSVGQI-IINYFYTJSA-N 1 0 325.796 2.390 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)co2)cc1 ZINC000344062287 161194755 /nfs/dbraw/zinc/19/47/55/161194755.db2.gz NDRJKEKROGIXGQ-APHBMKBZSA-N 1 0 329.356 2.453 20 5 EEBDRO CN(CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000344700170 161237428 /nfs/dbraw/zinc/23/74/28/161237428.db2.gz HCOWEAFHLCOCBL-INIZCTEOSA-N 1 0 348.447 2.268 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000345044812 161266450 /nfs/dbraw/zinc/26/64/50/161266450.db2.gz RCVAIUXHTAEIOG-KPKJPENVSA-N 1 0 326.356 2.282 20 5 EEBDRO Cc1cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000345306895 161290526 /nfs/dbraw/zinc/29/05/26/161290526.db2.gz REMBVQMSHLDVCW-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000349264790 161541174 /nfs/dbraw/zinc/54/11/74/161541174.db2.gz IOMMSUQJCMUPFL-KRWDZBQOSA-N 1 0 349.431 2.097 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000352051456 162047221 /nfs/dbraw/zinc/04/72/21/162047221.db2.gz BTMKNDRBPAXUMM-ZDUSSCGKSA-N 1 0 330.388 2.300 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccco1 ZINC000352543398 162180285 /nfs/dbraw/zinc/18/02/85/162180285.db2.gz DXZCWXIJCLGTBY-OAHLLOKOSA-N 1 0 334.372 2.240 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000358916328 164014965 /nfs/dbraw/zinc/01/49/65/164014965.db2.gz SKQNIZOIBVFYQQ-GFCCVEGCSA-N 1 0 325.413 2.032 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000359204498 164082043 /nfs/dbraw/zinc/08/20/43/164082043.db2.gz DSRBWHSFUUQXDN-ZDUSSCGKSA-N 1 0 325.796 2.391 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210890 164083592 /nfs/dbraw/zinc/08/35/92/164083592.db2.gz DVDSLTUHXRRQNW-SMDDNHRTSA-N 1 0 332.404 2.328 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000359277890 164100727 /nfs/dbraw/zinc/10/07/27/164100727.db2.gz ABHNOQKVSRFYSD-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+](C)C ZINC000359593720 164132949 /nfs/dbraw/zinc/13/29/49/164132949.db2.gz TUQWWOSPOZKYQG-JTQLQIEISA-N 1 0 329.784 2.036 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376407554 167319603 /nfs/dbraw/zinc/31/96/03/167319603.db2.gz MQFLUGTZCIVDBY-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274904264 269072251 /nfs/dbraw/zinc/07/22/51/269072251.db2.gz QWQIHFAHLAZVKT-LBPRGKRZSA-N 1 0 336.392 2.080 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)O1 ZINC000275405074 269113640 /nfs/dbraw/zinc/11/36/40/269113640.db2.gz RSWKSTRHQRNQGF-BETUJISGSA-N 1 0 334.420 2.474 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000277243439 269144826 /nfs/dbraw/zinc/14/48/26/269144826.db2.gz YRECZUCRPIQESR-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCCC1 ZINC000277537872 269161079 /nfs/dbraw/zinc/16/10/79/269161079.db2.gz AYXATUDQBCIXBM-GFCCVEGCSA-N 1 0 345.403 2.352 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278512385 269235311 /nfs/dbraw/zinc/23/53/11/269235311.db2.gz QCDRTFXAYTWQRG-CQSZACIVSA-N 1 0 345.403 2.096 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279673206 269299282 /nfs/dbraw/zinc/29/92/82/269299282.db2.gz NQJVPJSOSCQNNG-LBPRGKRZSA-N 1 0 326.418 2.083 20 5 EEBDRO CCOc1cc(N2CC[NH+](CC3=CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC000279680691 269299703 /nfs/dbraw/zinc/29/97/03/269299703.db2.gz IZMUEABTIVXCAT-UHFFFAOYSA-N 1 0 347.415 2.462 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279784375 269305884 /nfs/dbraw/zinc/30/58/84/269305884.db2.gz HTUFPSKTRCWNAI-SNVBAGLBSA-N 1 0 343.786 2.340 20 5 EEBDRO CCC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000280016965 269322151 /nfs/dbraw/zinc/32/21/51/269322151.db2.gz JNSDXGXILBTMKY-CQSZACIVSA-N 1 0 335.404 2.446 20 5 EEBDRO Cc1cn(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)nc1[N+](=O)[O-] ZINC000280458996 269364174 /nfs/dbraw/zinc/36/41/74/269364174.db2.gz WPZCJGCXBIUTSH-ZDUSSCGKSA-N 1 0 329.360 2.127 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000282882615 269520039 /nfs/dbraw/zinc/52/00/39/269520039.db2.gz RHIMRILIVIKAIR-SWLSCSKDSA-N 1 0 335.404 2.452 20 5 EEBDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000374644444 274062816 /nfs/dbraw/zinc/06/28/16/274062816.db2.gz HCFABYTXBXWFHZ-HZPDHXFCSA-N 1 0 333.388 2.201 20 5 EEBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237219775 274090865 /nfs/dbraw/zinc/09/08/65/274090865.db2.gz UTMQJHIRUBAXOP-MAZNFNOQSA-N 1 0 333.363 2.489 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000269101306 274109878 /nfs/dbraw/zinc/10/98/78/274109878.db2.gz RVOMCYGHAIEDEW-WBVHZDCISA-N 1 0 342.399 2.285 20 5 EEBDRO COCCOCCOCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000274448144 274197631 /nfs/dbraw/zinc/19/76/31/274197631.db2.gz VVOZPIUTUFHVEU-UHFFFAOYSA-N 1 0 326.393 2.063 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279370944 274470347 /nfs/dbraw/zinc/47/03/47/274470347.db2.gz GXNKQCMTFVKTKT-UHFFFAOYSA-N 1 0 338.383 2.310 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000287984624 275012239 /nfs/dbraw/zinc/01/22/39/275012239.db2.gz ARYVVHUMRTYEON-GFCCVEGCSA-N 1 0 331.376 2.164 20 5 EEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000119328283 275040228 /nfs/dbraw/zinc/04/02/28/275040228.db2.gz MYQVBEQNRJOHFB-RTBURBONSA-N 1 0 339.395 2.375 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000288543738 275068767 /nfs/dbraw/zinc/06/87/67/275068767.db2.gz VFGRFEDWDOBRNF-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289483884 275120283 /nfs/dbraw/zinc/12/02/83/275120283.db2.gz CCICZSNEARIALO-KBPBESRZSA-N 1 0 334.420 2.210 20 5 EEBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1O ZINC000289574079 275128917 /nfs/dbraw/zinc/12/89/17/275128917.db2.gz ZYCLABJOOUTJKE-OAHLLOKOSA-N 1 0 346.383 2.250 20 5 EEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289823084 275152152 /nfs/dbraw/zinc/15/21/52/275152152.db2.gz AVHGWVHYWCXNQF-JQWIXIFHSA-N 1 0 331.397 2.491 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000290805357 275241808 /nfs/dbraw/zinc/24/18/08/275241808.db2.gz QKIJCJTVAAFXQQ-SNVBAGLBSA-N 1 0 345.193 2.191 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291223921 275283897 /nfs/dbraw/zinc/28/38/97/275283897.db2.gz LSXCRVSCJGBVSW-GFCCVEGCSA-N 1 0 339.392 2.289 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000264407065 276201965 /nfs/dbraw/zinc/20/19/65/276201965.db2.gz NKROYYYZBNLOTL-AWEZNQCLSA-N 1 0 338.839 2.464 20 5 EEBDRO COc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402043 278068522 /nfs/dbraw/zinc/06/85/22/278068522.db2.gz BDYDPIQVXVIBOC-KGLIPLIRSA-N 1 0 331.376 2.468 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c1C ZINC000320431007 278744972 /nfs/dbraw/zinc/74/49/72/278744972.db2.gz HRVUAJQNPVTKTH-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO NC(=O)c1cccc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000341725540 279606315 /nfs/dbraw/zinc/60/63/15/279606315.db2.gz FHXKPSKNRCWHMF-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269267210 279817412 /nfs/dbraw/zinc/81/74/12/279817412.db2.gz KZRKFKLPMIUMBF-GZMMTYOYSA-N 1 0 331.294 2.423 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000177474513 289377545 /nfs/dbraw/zinc/37/75/45/289377545.db2.gz ABFUMECSIZVIJO-KBPBESRZSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570424 293241476 /nfs/dbraw/zinc/24/14/76/293241476.db2.gz DMMPVEHQGAVVLU-BXUZGUMPSA-N 1 0 349.362 2.407 20 5 EEBDRO Cc1nnsc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293863008 293313257 /nfs/dbraw/zinc/31/32/57/293313257.db2.gz XURIIWJDRDKDMK-SECBINFHSA-N 1 0 335.389 2.262 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCN2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000295908606 293845585 /nfs/dbraw/zinc/84/55/85/293845585.db2.gz JADQNTNTWRPOPP-QGZVFWFLSA-N 1 0 333.432 2.364 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297267659 294197084 /nfs/dbraw/zinc/19/70/84/294197084.db2.gz WMUGNXROLLHBCW-OAHLLOKOSA-N 1 0 349.431 2.478 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000186184590 295253758 /nfs/dbraw/zinc/25/37/58/295253758.db2.gz UIAWTFZNCFORDB-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429345496 298535228 /nfs/dbraw/zinc/53/52/28/298535228.db2.gz PYSUWOXFTGQHTB-QWHCGFSZSA-N 1 0 334.420 2.250 20 5 EEBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000412086532 312612803 /nfs/dbraw/zinc/61/28/03/312612803.db2.gz WCDSFRSTQAQBGD-UONOGXRCSA-N 1 0 337.420 2.328 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)s2)cc1 ZINC000414551435 313039064 /nfs/dbraw/zinc/03/90/64/313039064.db2.gz BDAJAAMZVUNXOI-CZUORRHYSA-N 1 0 348.424 2.498 20 5 EEBDRO COc1cc(CNC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414802287 313093333 /nfs/dbraw/zinc/09/33/33/313093333.db2.gz VLDOSGKXODVBGU-NSHDSACASA-N 1 0 347.362 2.320 20 5 EEBDRO C[NH2+]CCNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414822387 313097134 /nfs/dbraw/zinc/09/71/34/313097134.db2.gz GKOISBPULPWTOO-UHFFFAOYSA-N 1 0 345.399 2.491 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301156 313477540 /nfs/dbraw/zinc/47/75/40/313477540.db2.gz ACNKWJMVETUMAH-BLLLJJGKSA-N 1 0 338.429 2.387 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417723810 313576275 /nfs/dbraw/zinc/57/62/75/313576275.db2.gz XXVNISQRGWGPJK-KBPBESRZSA-N 1 0 349.435 2.084 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000418055440 313701492 /nfs/dbraw/zinc/70/14/92/313701492.db2.gz BJUIVLICQVJPQI-OAHLLOKOSA-N 1 0 334.420 2.481 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418332715 313784656 /nfs/dbraw/zinc/78/46/56/313784656.db2.gz FWWDUPSKGPZVHE-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418408754 313805697 /nfs/dbraw/zinc/80/56/97/313805697.db2.gz MXTWZHJKQNQLOB-DOMZBBRYSA-N 1 0 348.403 2.016 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025304 314029545 /nfs/dbraw/zinc/02/95/45/314029545.db2.gz YJHSHZXMXRFSTP-UONOGXRCSA-N 1 0 335.404 2.406 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425041446 314326996 /nfs/dbraw/zinc/32/69/96/314326996.db2.gz BXVUHQPQUCADGY-WMLDXEAASA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000440087274 315111383 /nfs/dbraw/zinc/11/13/83/315111383.db2.gz JMKHFPHSNDRZLZ-ZDUSSCGKSA-N 1 0 343.449 2.158 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000443803633 315260041 /nfs/dbraw/zinc/26/00/41/315260041.db2.gz BDHFZNDIDRCNSR-KRWDZBQOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC000448744806 315384680 /nfs/dbraw/zinc/38/46/80/315384680.db2.gz COEFUBRASBDSAG-INIZCTEOSA-N 1 0 343.387 2.055 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000451847152 315455974 /nfs/dbraw/zinc/45/59/74/315455974.db2.gz SHZRHPMOTZLQLK-YOEHRIQHSA-N 1 0 346.431 2.116 20 5 EEBDRO O=C(CC[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000519708906 316814971 /nfs/dbraw/zinc/81/49/71/316814971.db2.gz LXBYGXFYPLJWSE-UHFFFAOYSA-N 1 0 343.339 2.442 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000537595627 318021444 /nfs/dbraw/zinc/02/14/44/318021444.db2.gz RPZMEZLDBDMGSE-UHFFFAOYSA-N 1 0 334.420 2.318 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000543792475 318174344 /nfs/dbraw/zinc/17/43/44/318174344.db2.gz VKXCBVNIFFWABX-MRXNPFEDSA-N 1 0 347.463 2.211 20 5 EEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548086183 318353360 /nfs/dbraw/zinc/35/33/60/318353360.db2.gz WUTDQNAXQPTLSB-LBPRGKRZSA-N 1 0 343.387 2.273 20 5 EEBDRO O=C(CC[NH2+][C@H](CO)CC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000566235586 319263571 /nfs/dbraw/zinc/26/35/71/319263571.db2.gz ZHKFQYBJEDYFNG-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000571875341 319794979 /nfs/dbraw/zinc/79/49/79/319794979.db2.gz MRXYULKVQGMJKP-RYUDHWBXSA-N 1 0 330.331 2.360 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H](CO)Cc2ccccc2)n1 ZINC000574068785 319992680 /nfs/dbraw/zinc/99/26/80/319992680.db2.gz TWFFKYXJICXCPA-IXDOHACOSA-N 1 0 344.415 2.468 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576574432 320184197 /nfs/dbraw/zinc/18/41/97/320184197.db2.gz KRJUDWJHQMRUMQ-CYBMUJFWSA-N 1 0 331.376 2.171 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCSC2)cc1 ZINC000577172821 320237949 /nfs/dbraw/zinc/23/79/49/320237949.db2.gz FOUXRURIQLRFCL-GFCCVEGCSA-N 1 0 344.458 2.101 20 5 EEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435860 320314036 /nfs/dbraw/zinc/31/40/36/320314036.db2.gz UZECUUGLRTZUQO-TZMCWYRMSA-N 1 0 326.393 2.128 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000578480022 320316408 /nfs/dbraw/zinc/31/64/08/320316408.db2.gz HVTPZFRXNAKHJY-YOEHRIQHSA-N 1 0 349.431 2.171 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000578480020 320316448 /nfs/dbraw/zinc/31/64/48/320316448.db2.gz HVTPZFRXNAKHJY-RHSMWYFYSA-N 1 0 349.431 2.171 20 5 EEBDRO CCOC(=O)C[C@@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182637231 323381531 /nfs/dbraw/zinc/38/15/31/323381531.db2.gz GSFZQHCWQDZGMT-LLVKDONJSA-N 1 0 348.359 2.418 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3sccc3c2)c1 ZINC000578642627 323675005 /nfs/dbraw/zinc/67/50/05/323675005.db2.gz UVDLIDYPEOTZDS-CQSZACIVSA-N 1 0 332.385 2.157 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccc(F)c1 ZINC000579582317 323884930 /nfs/dbraw/zinc/88/49/30/323884930.db2.gz VISIJKMBZJTDOA-OAHLLOKOSA-N 1 0 334.347 2.306 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000582919450 324557316 /nfs/dbraw/zinc/55/73/16/324557316.db2.gz AGJGEJHYDCFCIY-CQSZACIVSA-N 1 0 332.356 2.133 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120573390 463013567 /nfs/dbraw/zinc/01/35/67/463013567.db2.gz CZVHBHGRMHNPEG-CQSZACIVSA-N 1 0 334.420 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ncccc12 ZINC000325775399 465029987 /nfs/dbraw/zinc/02/99/87/465029987.db2.gz DDGBFLXLIFWIAZ-OLZOCXBDSA-N 1 0 328.372 2.418 20 5 EEBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000326387618 465038060 /nfs/dbraw/zinc/03/80/60/465038060.db2.gz KJCKTFMUAUBPIA-HNNXBMFYSA-N 1 0 346.431 2.023 20 5 EEBDRO CCOC(=O)c1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000296007020 465049850 /nfs/dbraw/zinc/04/98/50/465049850.db2.gz NFABKNCAIQSRQX-YOGCLGLASA-N 1 0 334.376 2.204 20 5 EEBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCC[NH+]1CCCCC1 ZINC000341545062 465226230 /nfs/dbraw/zinc/22/62/30/465226230.db2.gz KUEWCHWALFWHPE-UHFFFAOYSA-N 1 0 332.360 2.288 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351616904 465253900 /nfs/dbraw/zinc/25/39/00/465253900.db2.gz BGBADGUBRQNHAF-OCCSQVGLSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C2CC2)C1 ZINC000590654451 468297114 /nfs/dbraw/zinc/29/71/14/468297114.db2.gz AESMNUCZHPYXTK-ZDUSSCGKSA-N 1 0 347.415 2.282 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074315612 462584744 /nfs/dbraw/zinc/58/47/44/462584744.db2.gz MCNHYXGWZARQNI-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134022 462591645 /nfs/dbraw/zinc/59/16/45/462591645.db2.gz USMXJGXSMQXQCR-ZDUSSCGKSA-N 1 0 344.415 2.147 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134950 462592120 /nfs/dbraw/zinc/59/21/20/462592120.db2.gz SOIZUEWPADGKJR-ZDUSSCGKSA-N 1 0 334.420 2.393 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128216187 462620366 /nfs/dbraw/zinc/62/03/66/462620366.db2.gz RBBLQLNXHCGIPP-LBPRGKRZSA-N 1 0 348.359 2.061 20 5 EEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](CC2CC2)CC1 ZINC000064299658 462692717 /nfs/dbraw/zinc/69/27/17/462692717.db2.gz VQLAKLVHXUARFF-UHFFFAOYSA-N 1 0 328.372 2.244 20 5 EEBDRO Cc1ccnc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089643920 462703094 /nfs/dbraw/zinc/70/30/94/462703094.db2.gz LMSLVWAGJLSRCI-HOTGVXAUSA-N 1 0 342.399 2.346 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC(=O)OC ZINC000064570648 462710626 /nfs/dbraw/zinc/71/06/26/462710626.db2.gz XNIOFXMJQTZEFZ-UHFFFAOYSA-N 1 0 337.376 2.117 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000115519425 462718819 /nfs/dbraw/zinc/71/88/19/462718819.db2.gz OQMDTIFRYXQZSR-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000046954259 462725519 /nfs/dbraw/zinc/72/55/19/462725519.db2.gz HWHIWHCIVIAXEK-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000090181417 462784136 /nfs/dbraw/zinc/78/41/36/462784136.db2.gz STECJYLISPFFTR-AAEUAGOBSA-N 1 0 333.388 2.407 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000090563651 462798940 /nfs/dbraw/zinc/79/89/40/462798940.db2.gz UCEROEKCEMCQJJ-UHFFFAOYSA-N 1 0 349.387 2.071 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000132354417 462850448 /nfs/dbraw/zinc/85/04/48/462850448.db2.gz TWEGATQUSXMSNV-SFHVURJKSA-N 1 0 328.368 2.397 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120056788 462957628 /nfs/dbraw/zinc/95/76/28/462957628.db2.gz XSJHNTVYTXNUSS-UHFFFAOYSA-N 1 0 338.408 2.254 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156145472 462985225 /nfs/dbraw/zinc/98/52/25/462985225.db2.gz BQBZWXQYOXCNBM-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068203705 463104901 /nfs/dbraw/zinc/10/49/01/463104901.db2.gz UKJMALMRLYYNPW-NVXWUHKLSA-N 1 0 342.399 2.293 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068341659 463123292 /nfs/dbraw/zinc/12/32/92/463123292.db2.gz UKRIVKVGTNMDRY-MRXNPFEDSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC1)OCCO2 ZINC000026936724 463177909 /nfs/dbraw/zinc/17/79/09/463177909.db2.gz MYSIDMSFIXCEAU-UHFFFAOYSA-N 1 0 349.387 2.071 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000029620761 463265431 /nfs/dbraw/zinc/26/54/31/463265431.db2.gz DPMLHXUWHMUIRD-UHFFFAOYSA-N 1 0 325.438 2.102 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000069708450 463309192 /nfs/dbraw/zinc/30/91/92/463309192.db2.gz GSQIRWJHPFVBEY-LBPRGKRZSA-N 1 0 336.367 2.017 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000139301938 463321320 /nfs/dbraw/zinc/32/13/20/463321320.db2.gz XVAQEBDIAWTTKH-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160239295 463324104 /nfs/dbraw/zinc/32/41/04/463324104.db2.gz LQACQEQFDNGLKD-LBPRGKRZSA-N 1 0 343.387 2.273 20 5 EEBDRO C[N@@H+](Cc1cccc(O)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080924834 463368314 /nfs/dbraw/zinc/36/83/14/463368314.db2.gz NFSIBXZCGORXED-INIZCTEOSA-N 1 0 332.356 2.172 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032296848 463370360 /nfs/dbraw/zinc/37/03/60/463370360.db2.gz UDHTWYZDHLXWCV-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032730094 463390743 /nfs/dbraw/zinc/39/07/43/463390743.db2.gz WWSXDBOFPPZJIZ-HNNXBMFYSA-N 1 0 334.351 2.105 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCn1ccnc1 ZINC000124316422 463408653 /nfs/dbraw/zinc/40/86/53/463408653.db2.gz HXJJKEOGEQEJKJ-ZDUSSCGKSA-N 1 0 331.376 2.140 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCn1ccnc1 ZINC000124384481 463416515 /nfs/dbraw/zinc/41/65/15/463416515.db2.gz DDTHJFXRBYSLGL-ZDUSSCGKSA-N 1 0 331.376 2.140 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104755214 463421477 /nfs/dbraw/zinc/42/14/77/463421477.db2.gz AJQGSSSGMSKXAN-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1SC ZINC000161686682 463449304 /nfs/dbraw/zinc/44/93/04/463449304.db2.gz CFDNKDYTKILTMH-UWVGGRQHSA-N 1 0 339.417 2.325 20 5 EEBDRO Cc1sc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125093969 463502442 /nfs/dbraw/zinc/50/24/42/463502442.db2.gz BVDUIURYKBIULW-QWRGUYRKSA-N 1 0 347.462 2.116 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000125292505 463526508 /nfs/dbraw/zinc/52/65/08/463526508.db2.gz IGNQWLHVMKOKBE-ZIAGYGMSSA-N 1 0 333.388 2.094 20 5 EEBDRO Cc1sc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125309535 463529637 /nfs/dbraw/zinc/52/96/37/463529637.db2.gz WKFLXHAQISXLLM-JTQLQIEISA-N 1 0 349.478 2.219 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073513908 463620283 /nfs/dbraw/zinc/62/02/83/463620283.db2.gz VPRWGLKKABJUHW-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000043304043 463633720 /nfs/dbraw/zinc/63/37/20/463633720.db2.gz JRNFNKJUVYWCOL-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO CN(C(=O)C[N@H+](CCCO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000109747454 463648423 /nfs/dbraw/zinc/64/84/23/463648423.db2.gz SUKYLNYFZFLHBB-UHFFFAOYSA-N 1 0 337.420 2.288 20 5 EEBDRO NC(=O)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126766794 463662045 /nfs/dbraw/zinc/66/20/45/463662045.db2.gz DFLXCPQRLFJGOB-UHFFFAOYSA-N 1 0 344.371 2.441 20 5 EEBDRO COCCN(CCOC)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126916974 463670685 /nfs/dbraw/zinc/67/06/85/463670685.db2.gz FMCGGRGGDHMYHH-UHFFFAOYSA-N 1 0 346.387 2.459 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000127295170 463694673 /nfs/dbraw/zinc/69/46/73/463694673.db2.gz JBIAAHJKHQWBST-IAQYHMDHSA-N 1 0 345.403 2.273 20 5 EEBDRO NC(=O)c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000170785061 463705136 /nfs/dbraw/zinc/70/51/36/463705136.db2.gz IPLUITFNGDONEM-MRXNPFEDSA-N 1 0 346.431 2.144 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000177592409 463744818 /nfs/dbraw/zinc/74/48/18/463744818.db2.gz KTYZABDNGAZRTN-RYUDHWBXSA-N 1 0 336.348 2.106 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286940414 463748777 /nfs/dbraw/zinc/74/87/77/463748777.db2.gz FCBSAKLOBSIGJR-BBRMVZONSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000255897264 463752647 /nfs/dbraw/zinc/75/26/47/463752647.db2.gz VNDUMGOMTHETNG-SVEBXFOSSA-N 1 0 331.416 2.405 20 5 EEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177790979 463792912 /nfs/dbraw/zinc/79/29/12/463792912.db2.gz OPZOCLAZFFSWBC-MRXNPFEDSA-N 1 0 329.404 2.392 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000177795979 463794171 /nfs/dbraw/zinc/79/41/71/463794171.db2.gz LYCYZYFBDJOFFN-HIFRSBDPSA-N 1 0 333.388 2.059 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261621425 463804772 /nfs/dbraw/zinc/80/47/72/463804772.db2.gz AANWWUYGWRTAMI-ZJUUUORDSA-N 1 0 341.209 2.106 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[NH+]1CCCCC1 ZINC000185755993 463873289 /nfs/dbraw/zinc/87/32/89/463873289.db2.gz KIZHFFRMDFVEHP-UHFFFAOYSA-N 1 0 348.428 2.420 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178681239 463941608 /nfs/dbraw/zinc/94/16/08/463941608.db2.gz KBBXBBVVFUYFME-IUODEOHRSA-N 1 0 343.387 2.093 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000269409526 463980071 /nfs/dbraw/zinc/98/00/71/463980071.db2.gz VCRAAJOMWOKTFJ-LBPRGKRZSA-N 1 0 337.424 2.293 20 5 EEBDRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626910 464039796 /nfs/dbraw/zinc/03/97/96/464039796.db2.gz CYIIYKWTZFLFDH-MZNJEOGPSA-N 1 0 348.424 2.498 20 5 EEBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000173044695 464183147 /nfs/dbraw/zinc/18/31/47/464183147.db2.gz MDQKOBQXFBODID-SNVBAGLBSA-N 1 0 333.392 2.177 20 5 EEBDRO CN(CC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000173083182 464188927 /nfs/dbraw/zinc/18/89/27/464188927.db2.gz VUJJLIGHKGVPLZ-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1OCCc2ccccc21 ZINC000270551903 464260121 /nfs/dbraw/zinc/26/01/21/464260121.db2.gz HDPMPLILPIHHAH-QGZVFWFLSA-N 1 0 343.383 2.002 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292696015 464311371 /nfs/dbraw/zinc/31/13/71/464311371.db2.gz CVUQGPDZZCOKEQ-SECBINFHSA-N 1 0 333.310 2.428 20 5 EEBDRO CC(C)CCOCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271634888 464348248 /nfs/dbraw/zinc/34/82/48/464348248.db2.gz GDEKBFMUAFXMFU-AWEZNQCLSA-N 1 0 337.420 2.424 20 5 EEBDRO CC1CC[NH+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180660181 464363835 /nfs/dbraw/zinc/36/38/35/464363835.db2.gz JGHRVQZVMQEAED-UHFFFAOYSA-N 1 0 334.420 2.419 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778593 464381255 /nfs/dbraw/zinc/38/12/55/464381255.db2.gz LDINLXZOLYSUEH-WFASDCNBSA-N 1 0 340.330 2.171 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264582431 464383097 /nfs/dbraw/zinc/38/30/97/464383097.db2.gz JVVNHCJYENREDT-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264584507 464384046 /nfs/dbraw/zinc/38/40/46/464384046.db2.gz KGQNNKYIUOCUED-SNVBAGLBSA-N 1 0 342.783 2.090 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264620842 464398121 /nfs/dbraw/zinc/39/81/21/464398121.db2.gz RMGLWSREPOGXQH-LSDHHAIUSA-N 1 0 346.431 2.482 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237972611 464413115 /nfs/dbraw/zinc/41/31/15/464413115.db2.gz ZPFIXDBHVFJVAO-CJNGLKHVSA-N 1 0 334.420 2.421 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000264801675 464471077 /nfs/dbraw/zinc/47/10/77/464471077.db2.gz WKUVKUDSDGMJRX-UHFFFAOYSA-N 1 0 347.375 2.209 20 5 EEBDRO Cc1ccnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000265260909 464515027 /nfs/dbraw/zinc/51/50/27/464515027.db2.gz SKJDWZHAXAQBPX-HOTGVXAUSA-N 1 0 347.463 2.293 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281716870 464558202 /nfs/dbraw/zinc/55/82/02/464558202.db2.gz QKTPGGGUCJPJBD-UKRRQHHQSA-N 1 0 335.404 2.081 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272454077 464616575 /nfs/dbraw/zinc/61/65/75/464616575.db2.gz CNWFJEWRLKADFN-DVOMOZLQSA-N 1 0 335.404 2.405 20 5 EEBDRO CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294876363 464634096 /nfs/dbraw/zinc/63/40/96/464634096.db2.gz UMGLUTMNIYFBGB-SNVBAGLBSA-N 1 0 333.392 2.332 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000591144268 468414701 /nfs/dbraw/zinc/41/47/01/468414701.db2.gz DPRMRHNQWCOHOP-IRXDYDNUSA-N 1 0 342.399 2.178 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593895 464672853 /nfs/dbraw/zinc/67/28/53/464672853.db2.gz OJQUXSMLGLXOKA-HZPDHXFCSA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285755298 464683933 /nfs/dbraw/zinc/68/39/33/464683933.db2.gz ZBFJFIDAYYDZGC-CKEIUWERSA-N 1 0 346.431 2.480 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000285960664 464756241 /nfs/dbraw/zinc/75/62/41/464756241.db2.gz AIICSKSCTWJTEH-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000176864943 464870310 /nfs/dbraw/zinc/87/03/10/464870310.db2.gz WZLXUVBDBUUXDH-ROJDOSBLSA-N 1 0 335.404 2.081 20 5 EEBDRO CCOC(CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OCC ZINC000276272622 464872762 /nfs/dbraw/zinc/87/27/62/464872762.db2.gz WCHQYRHTICCXMO-UHFFFAOYSA-N 1 0 328.365 2.188 20 5 EEBDRO CC[C@@H](CO)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000295684619 464928132 /nfs/dbraw/zinc/92/81/32/464928132.db2.gz KUJUUSQOWBCCOW-JTQLQIEISA-N 1 0 334.319 2.408 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286659500 464995277 /nfs/dbraw/zinc/99/52/77/464995277.db2.gz UNLWAOKSFIHRBZ-NWDGAFQWSA-N 1 0 348.321 2.466 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184608567 465007511 /nfs/dbraw/zinc/00/75/11/465007511.db2.gz AUHNKEVYHHALAB-CYBMUJFWSA-N 1 0 333.344 2.494 20 5 EEBDRO COc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864208 465404835 /nfs/dbraw/zinc/40/48/35/465404835.db2.gz WSIVUOJXFPBPSK-NXEZZACHSA-N 1 0 345.346 2.374 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1C ZINC000343572173 465530447 /nfs/dbraw/zinc/53/04/47/465530447.db2.gz VGJGCFHFWXWKRO-FZMZJTMJSA-N 1 0 328.372 2.356 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279332 468437481 /nfs/dbraw/zinc/43/74/81/468437481.db2.gz DFHJBXXAYWMJJP-SECBINFHSA-N 1 0 344.318 2.460 20 5 EEBDRO COc1cc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000591282852 468438241 /nfs/dbraw/zinc/43/82/41/468438241.db2.gz UXWQPRUDEMJLIT-CYBMUJFWSA-N 1 0 335.404 2.376 20 5 EEBDRO COc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000362392844 465701408 /nfs/dbraw/zinc/70/14/08/465701408.db2.gz UKTWRRFAFBCYLP-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330567878 465709366 /nfs/dbraw/zinc/70/93/66/465709366.db2.gz BOULEDDORWNNJZ-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299549213 465794897 /nfs/dbraw/zinc/79/48/97/465794897.db2.gz QOCKBTHNYIVSGB-AWEZNQCLSA-N 1 0 343.387 2.021 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000366627199 465841440 /nfs/dbraw/zinc/84/14/40/465841440.db2.gz MBGRXCBXCSDRIK-UHFFFAOYSA-N 1 0 331.376 2.107 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371546032 465868519 /nfs/dbraw/zinc/86/85/19/465868519.db2.gz XVVMEPQSFQRXMV-OCCSQVGLSA-N 1 0 339.342 2.430 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000340282533 465949287 /nfs/dbraw/zinc/94/92/87/465949287.db2.gz YCZSQTKRPQJXRU-UHFFFAOYSA-N 1 0 326.418 2.288 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000357347583 465968376 /nfs/dbraw/zinc/96/83/76/465968376.db2.gz COFAZXXGSCPBLP-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CCC1 ZINC000346248600 466027618 /nfs/dbraw/zinc/02/76/18/466027618.db2.gz OMOFGXRYBBZYOA-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H]1C[NH+](CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000302147945 466105401 /nfs/dbraw/zinc/10/54/01/466105401.db2.gz IYDHUMVULJXTOB-ZIAGYGMSSA-N 1 0 349.435 2.101 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000338425101 466115708 /nfs/dbraw/zinc/11/57/08/466115708.db2.gz PWFUDWWGPUDBJF-LBPRGKRZSA-N 1 0 336.392 2.080 20 5 EEBDRO CCOc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000361702143 466218455 /nfs/dbraw/zinc/21/84/55/466218455.db2.gz UGTPQMQOTACDKR-UHFFFAOYSA-N 1 0 342.355 2.287 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000331764365 466236494 /nfs/dbraw/zinc/23/64/94/466236494.db2.gz CUYPQIHKAJVMPI-UPJWGTAASA-N 1 0 349.435 2.358 20 5 EEBDRO CC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000338587788 466240339 /nfs/dbraw/zinc/24/03/39/466240339.db2.gz NHSUSTFDRLLFNU-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000349786225 466240816 /nfs/dbraw/zinc/24/08/16/466240816.db2.gz XFYRTHUDRRABQK-LBPRGKRZSA-N 1 0 343.449 2.219 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000346977389 466294135 /nfs/dbraw/zinc/29/41/35/466294135.db2.gz NAFICDILWDBBNJ-UHFFFAOYSA-N 1 0 328.332 2.107 20 5 EEBDRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc([N+](=O)[O-])c1C ZINC000349971742 466333556 /nfs/dbraw/zinc/33/35/56/466333556.db2.gz KIOJKZKYSCFZFH-UHFFFAOYSA-N 1 0 333.388 2.294 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305236262 466388936 /nfs/dbraw/zinc/38/89/36/466388936.db2.gz XKZXTKOZDPQNPH-OLZOCXBDSA-N 1 0 349.387 2.128 20 5 EEBDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027434 466396396 /nfs/dbraw/zinc/39/63/96/466396396.db2.gz RLHQVZPDKSCICX-UKRRQHHQSA-N 1 0 341.433 2.060 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305728628 466439974 /nfs/dbraw/zinc/43/99/74/466439974.db2.gz JZEJRGKACNVKLT-HNNXBMFYSA-N 1 0 349.387 2.128 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000332234962 466461283 /nfs/dbraw/zinc/46/12/83/466461283.db2.gz NIDVMZXQBNWJCK-OAHLLOKOSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305811853 466471999 /nfs/dbraw/zinc/47/19/99/466471999.db2.gz MOKOFVMLPKBKOK-XJKCOSOUSA-N 1 0 335.404 2.405 20 5 EEBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)CC1CC1 ZINC000354475601 466594551 /nfs/dbraw/zinc/59/45/51/466594551.db2.gz YJEBMKKXFUBVLX-UHFFFAOYSA-N 1 0 349.435 2.292 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808888 466597141 /nfs/dbraw/zinc/59/71/41/466597141.db2.gz VNHYWPXDSMRJGU-HZUKXOBISA-N 1 0 333.388 2.387 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000374515733 466660021 /nfs/dbraw/zinc/66/00/21/466660021.db2.gz WXMTZCAEVXBTGK-UHFFFAOYSA-N 1 0 337.807 2.393 20 5 EEBDRO COc1ccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415428665 466675365 /nfs/dbraw/zinc/67/53/65/466675365.db2.gz AKLBEDQOVQHCJQ-HAQNSBGRSA-N 1 0 336.392 2.490 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000411569367 466845491 /nfs/dbraw/zinc/84/54/91/466845491.db2.gz NIVMPCZGGZKGJG-LBPRGKRZSA-N 1 0 349.309 2.169 20 5 EEBDRO [NH3+]C1CCC(OCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000423839577 466871169 /nfs/dbraw/zinc/87/11/69/466871169.db2.gz IAYXVFFTSSOBPQ-UHFFFAOYSA-N 1 0 341.795 2.151 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424019046 466954047 /nfs/dbraw/zinc/95/40/47/466954047.db2.gz JQNZKBOQYGGRLA-CYBMUJFWSA-N 1 0 335.404 2.082 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000411990736 466960094 /nfs/dbraw/zinc/96/00/94/466960094.db2.gz RTZVYRZPTOGRGL-IINYFYTJSA-N 1 0 348.321 2.491 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058703 466988221 /nfs/dbraw/zinc/98/82/21/466988221.db2.gz VODYNRUKNPCFPL-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418085100 467040314 /nfs/dbraw/zinc/04/03/14/467040314.db2.gz WZEZSSYBKARNNY-HZPDHXFCSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418332713 467094174 /nfs/dbraw/zinc/09/41/74/467094174.db2.gz FWWDUPSKGPZVHE-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO C[C@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c3ncccc32)CC1 ZINC000413130344 467175760 /nfs/dbraw/zinc/17/57/60/467175760.db2.gz MZXXQTKXHPQPIL-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000429076922 467298664 /nfs/dbraw/zinc/29/86/64/467298664.db2.gz FTGXOVAWRIEFPE-HIFRSBDPSA-N 1 0 346.431 2.313 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420286625 467338755 /nfs/dbraw/zinc/33/87/55/467338755.db2.gz QMHIPBNHQDFDLF-RPBQFNSTSA-N 1 0 344.415 2.415 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430550224 467438155 /nfs/dbraw/zinc/43/81/55/467438155.db2.gz KBHFULWIUCZUKU-IINYFYTJSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C[NH3+] ZINC000430572528 467442551 /nfs/dbraw/zinc/44/25/51/467442551.db2.gz KFOXYIFCIWDMBS-BXUZGUMPSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc(CN[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414868895 467442702 /nfs/dbraw/zinc/44/27/02/467442702.db2.gz QEHXBHHEWDJCRG-LLVKDONJSA-N 1 0 345.346 2.089 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430579724 467445636 /nfs/dbraw/zinc/44/56/36/467445636.db2.gz CSQWLVXYSFRZRV-HNNXBMFYSA-N 1 0 330.388 2.476 20 5 EEBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624342 467482361 /nfs/dbraw/zinc/48/23/61/467482361.db2.gz JDRSXBQYSNEDTP-OAHLLOKOSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000408209100 467528211 /nfs/dbraw/zinc/52/82/11/467528211.db2.gz QSEBAZMNVMGOSE-XQQFMLRXSA-N 1 0 347.419 2.049 20 5 EEBDRO CNc1nc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000455108088 467635248 /nfs/dbraw/zinc/63/52/48/467635248.db2.gz GJKLTOWBPXRFRR-UHFFFAOYSA-N 1 0 349.435 2.368 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449658590 467680039 /nfs/dbraw/zinc/68/00/39/467680039.db2.gz BEJFGDMBWSCGIU-CABZTGNLSA-N 1 0 345.371 2.189 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CCC[N@H+]1CCCO ZINC000450599240 467877209 /nfs/dbraw/zinc/87/72/09/467877209.db2.gz SIOHTRDGWRFTNG-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO [NH3+]CC12CCC(CC1)CN2C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493587457 467942835 /nfs/dbraw/zinc/94/28/35/467942835.db2.gz QRPNGDXNOAQZQX-DUXPYHPUSA-N 1 0 333.363 2.477 20 5 EEBDRO CC[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](CC)CC ZINC000487118963 468023557 /nfs/dbraw/zinc/02/35/57/468023557.db2.gz REVYUPVXMIUSCT-AWEZNQCLSA-N 1 0 337.424 2.075 20 5 EEBDRO C[N@H+](CCc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1)C1CC1 ZINC000548951020 468161891 /nfs/dbraw/zinc/16/18/91/468161891.db2.gz KBQULROTLBCUNV-UHFFFAOYSA-N 1 0 329.360 2.207 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000533022598 468163135 /nfs/dbraw/zinc/16/31/35/468163135.db2.gz YRXUHPWLRHQONX-NSHDSACASA-N 1 0 339.392 2.287 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000490888530 468262301 /nfs/dbraw/zinc/26/23/01/468262301.db2.gz TWWMOFQHTXUPIO-CTEOGUNLSA-N 1 0 347.415 2.081 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594200398 468510310 /nfs/dbraw/zinc/51/03/10/468510310.db2.gz LSDWZZMCLQUUMR-LSDHHAIUSA-N 1 0 347.415 2.497 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594420557 468580148 /nfs/dbraw/zinc/58/01/48/468580148.db2.gz WRMWTDJPGJLLRJ-HUUCEWRRSA-N 1 0 332.404 2.383 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000594594207 468629803 /nfs/dbraw/zinc/62/98/03/468629803.db2.gz LUQWCXDPBXKIPY-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CNC(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594596944 468631067 /nfs/dbraw/zinc/63/10/67/468631067.db2.gz BJSOGHUFGDXHPP-UKRRQHHQSA-N 1 0 332.404 2.383 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000600816307 468664984 /nfs/dbraw/zinc/66/49/84/468664984.db2.gz BIDKOEIWDYWTKM-UHFFFAOYSA-N 1 0 349.366 2.038 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253734 468665326 /nfs/dbraw/zinc/66/53/26/468665326.db2.gz MTZKVCBUWVKNMM-JKSUJKDBSA-N 1 0 331.416 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592254893 468665469 /nfs/dbraw/zinc/66/54/69/468665469.db2.gz LAINGEOVYFWBSZ-KGLIPLIRSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1cc(CN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000594734770 468668286 /nfs/dbraw/zinc/66/82/86/468668286.db2.gz DUUBFQVMVYAPNC-UHFFFAOYSA-N 1 0 347.362 2.416 20 5 EEBDRO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000592544709 468727134 /nfs/dbraw/zinc/72/71/34/468727134.db2.gz IEUHPPNAXXNYDJ-HZMBPMFUSA-N 1 0 325.796 2.377 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000583626057 468730135 /nfs/dbraw/zinc/73/01/35/468730135.db2.gz CRAQQGHBXVCKBP-MRXNPFEDSA-N 1 0 334.347 2.306 20 5 EEBDRO CCCN1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094091 468756776 /nfs/dbraw/zinc/75/67/76/468756776.db2.gz CHYSKKVVHKJWEC-HIFRSBDPSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595344487 468818505 /nfs/dbraw/zinc/81/85/05/468818505.db2.gz FRFMCVSXYPWKAB-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CNc1nccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000561248050 468881501 /nfs/dbraw/zinc/88/15/01/468881501.db2.gz CRYQOYXFKLCCPA-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572107803 468886097 /nfs/dbraw/zinc/88/60/97/468886097.db2.gz UIXREBKSTDXADX-LBPRGKRZSA-N 1 0 342.399 2.470 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595534026 468890325 /nfs/dbraw/zinc/89/03/25/468890325.db2.gz ACIPTVXFDIDSPM-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000562400993 468951487 /nfs/dbraw/zinc/95/14/87/468951487.db2.gz KFLUYBCMFSIKIY-AWEZNQCLSA-N 1 0 349.431 2.050 20 5 EEBDRO COc1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCOCC2)cc1 ZINC000610447940 468972203 /nfs/dbraw/zinc/97/22/03/468972203.db2.gz OFNKZLSBKQSEOT-UHFFFAOYSA-N 1 0 346.387 2.095 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599126924 469128823 /nfs/dbraw/zinc/12/88/23/469128823.db2.gz PGMYDDZHDVUWST-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000611155063 469175752 /nfs/dbraw/zinc/17/57/52/469175752.db2.gz SYSMPWOMAWSXNC-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589189056 469209352 /nfs/dbraw/zinc/20/93/52/469209352.db2.gz XBUORDKQOBIPNS-ZFWWWQNUSA-N 1 0 347.415 2.425 20 5 EEBDRO CC1(C)CN(C(=O)C2CC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000611462953 469254425 /nfs/dbraw/zinc/25/44/25/469254425.db2.gz QOHFRFKLYBFJCV-UHFFFAOYSA-N 1 0 347.415 2.306 20 5 EEBDRO [NH3+]CCCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231435 469316897 /nfs/dbraw/zinc/31/68/97/469316897.db2.gz PJSGVFQYQRTDOQ-UHFFFAOYSA-N 1 0 329.282 2.145 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602488710 469337811 /nfs/dbraw/zinc/33/78/11/469337811.db2.gz XYSMBKYEKXGUDO-VIFPVBQESA-N 1 0 342.193 2.229 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3n[nH]cc3C2)n1 ZINC000616008168 469353191 /nfs/dbraw/zinc/35/31/91/469353191.db2.gz VZBBOHVWYNDVCF-AEGPPILISA-N 1 0 330.392 2.145 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602549673 469357659 /nfs/dbraw/zinc/35/76/59/469357659.db2.gz JQMOGZDZAZSIHS-RKDXNWHRSA-N 1 0 349.284 2.333 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000602597435 469378311 /nfs/dbraw/zinc/37/83/11/469378311.db2.gz CTGBZUPBXTYETA-ZFWWWQNUSA-N 1 0 346.431 2.393 20 5 EEBDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603555568 469410883 /nfs/dbraw/zinc/41/08/83/469410883.db2.gz GAEOVIUBJWKQAH-UHFFFAOYSA-N 1 0 345.321 2.485 20 5 EEBDRO C[NH+](C)CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618795483 469447574 /nfs/dbraw/zinc/44/75/74/469447574.db2.gz XYIXTSCGCUXBME-UHFFFAOYSA-N 1 0 348.325 2.365 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+]([C@H]4CCOC4)CC3)c21 ZINC000612449054 469468881 /nfs/dbraw/zinc/46/88/81/469468881.db2.gz RGBKJIUBPKUUAT-ZDUSSCGKSA-N 1 0 343.387 2.203 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000618920894 469471516 /nfs/dbraw/zinc/47/15/16/469471516.db2.gz INEXIAABDBFSNN-LBPRGKRZSA-N 1 0 335.429 2.240 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000609268806 469912045 /nfs/dbraw/zinc/91/20/45/469912045.db2.gz CIHNLJFQCOXPKC-ZDUSSCGKSA-N 1 0 347.371 2.182 20 5 EEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000609449042 469928517 /nfs/dbraw/zinc/92/85/17/469928517.db2.gz MMMRJHQTCVIVIY-UHFFFAOYSA-N 1 0 326.422 2.011 20 5 EEBDRO CC(C)(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610336023 470004830 /nfs/dbraw/zinc/00/48/30/470004830.db2.gz DJHYZWJTENDAJF-MRXNPFEDSA-N 1 0 332.404 2.110 20 5 EEBDRO COC(=O)c1cnc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000205272629 485527559 /nfs/dbraw/zinc/52/75/59/485527559.db2.gz DOMBNVLFUSHZJV-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000158044150 534162755 /nfs/dbraw/zinc/16/27/55/534162755.db2.gz UQDCIECYEULPST-OLZOCXBDSA-N 1 0 335.408 2.045 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175088258 534346996 /nfs/dbraw/zinc/34/69/96/534346996.db2.gz KIAKMXHFYOZXSZ-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000183622664 534422580 /nfs/dbraw/zinc/42/25/80/534422580.db2.gz FJKPKPXDILGBHD-GZBFAFLISA-N 1 0 345.403 2.328 20 5 EEBDRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682776 528242662 /nfs/dbraw/zinc/24/26/62/528242662.db2.gz VNHMHJRPDLJEKI-BBRMVZONSA-N 1 0 348.403 2.290 20 5 EEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063633 535521203 /nfs/dbraw/zinc/52/12/03/535521203.db2.gz WJHNSPNSHIIXFG-DLBZAZTESA-N 1 0 334.416 2.389 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451770263 535546936 /nfs/dbraw/zinc/54/69/36/535546936.db2.gz CNHCVLWHQBXNMV-XQQFMLRXSA-N 1 0 349.387 2.243 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459782275 535947999 /nfs/dbraw/zinc/94/79/99/535947999.db2.gz TVASBDHEXLKLLO-QKCSRTOESA-N 1 0 337.376 2.088 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425060101 536487735 /nfs/dbraw/zinc/48/77/35/536487735.db2.gz UKKJARSXGXILKQ-XJKSGUPXSA-N 1 0 331.416 2.425 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000423548871 536891879 /nfs/dbraw/zinc/89/18/79/536891879.db2.gz FDGWFVUJGQFTLP-YUTCNCBUSA-N 1 0 333.388 2.111 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000728605456 576509362 /nfs/dbraw/zinc/50/93/62/576509362.db2.gz CQNNPFQZAPSPAA-GFCCVEGCSA-N 1 0 336.348 2.106 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000773067294 577313965 /nfs/dbraw/zinc/31/39/65/577313965.db2.gz VFUIWLJSOUCPSJ-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770394325 577595405 /nfs/dbraw/zinc/59/54/05/577595405.db2.gz HDRMLKSQZSTDCI-NXEZZACHSA-N 1 0 326.194 2.009 20 5 EEBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000759611830 577646427 /nfs/dbraw/zinc/64/64/27/577646427.db2.gz HPGFGEJSUZNDLF-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@@H](C)O1 ZINC000759696288 577648009 /nfs/dbraw/zinc/64/80/09/577648009.db2.gz GIQMKPNMDZYQOR-VXGBXAGGSA-N 1 0 349.391 2.432 20 5 EEBDRO C[NH+]1CCC(NC(=S)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751918920 577762316 /nfs/dbraw/zinc/76/23/16/577762316.db2.gz SVAHTHBEFQVBMH-UHFFFAOYSA-N 1 0 336.461 2.388 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000754381067 577805387 /nfs/dbraw/zinc/80/53/87/577805387.db2.gz HZNAXXVIRIWGOK-GFCCVEGCSA-N 1 0 329.784 2.447 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000755922627 577834530 /nfs/dbraw/zinc/83/45/30/577834530.db2.gz YROMXPWWEAXQGQ-AWEZNQCLSA-N 1 0 346.431 2.123 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744414607 577897484 /nfs/dbraw/zinc/89/74/84/577897484.db2.gz SLPFWQAYNAGANS-OAHLLOKOSA-N 1 0 332.404 2.252 20 5 EEBDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749675253 577979703 /nfs/dbraw/zinc/97/97/03/577979703.db2.gz XYMDOGZCCGQCRM-KRWDZBQOSA-N 1 0 343.383 2.120 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933056643 676422632 /nfs/dbraw/zinc/42/26/32/676422632.db2.gz UBHVYTHXLUOBKR-HNNXBMFYSA-N 1 0 336.388 2.109 20 5 EEBDRO CCN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000891589571 676707326 /nfs/dbraw/zinc/70/73/26/676707326.db2.gz PLWITHSJHCJSAL-CQSZACIVSA-N 1 0 349.435 2.099 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022629034 678030490 /nfs/dbraw/zinc/03/04/90/678030490.db2.gz XXRMOVATHAWYAT-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001023083538 679117838 /nfs/dbraw/zinc/11/78/38/679117838.db2.gz NBDNIYVPEFHLSH-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000983122935 681856802 /nfs/dbraw/zinc/85/68/02/681856802.db2.gz FHTUTYGEYFRSCP-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1ncoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983430063 682637278 /nfs/dbraw/zinc/63/72/78/682637278.db2.gz YBMUQHXLFVCRCQ-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000894604813 682985528 /nfs/dbraw/zinc/98/55/28/682985528.db2.gz GVCQNMQIGSYVAH-HNNXBMFYSA-N 1 0 346.383 2.344 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892899024 683177103 /nfs/dbraw/zinc/17/71/03/683177103.db2.gz IJVCLTFXNJTLBW-BXUZGUMPSA-N 1 0 342.399 2.341 20 5 EEBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931595947 693752285 /nfs/dbraw/zinc/75/22/85/693752285.db2.gz FFUBOCDYEZVFNU-CYBMUJFWSA-N 1 0 325.434 2.220 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020095899 683542605 /nfs/dbraw/zinc/54/26/05/683542605.db2.gz CYNZANLJOLPGPG-SHTZXODSSA-N 1 0 329.356 2.167 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)n1 ZINC000893012016 683553178 /nfs/dbraw/zinc/55/31/78/683553178.db2.gz FPEBFHVRFLKCII-QWHCGFSZSA-N 1 0 337.424 2.146 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c([N+](=O)[O-])c1 ZINC001059265836 683794486 /nfs/dbraw/zinc/79/44/86/683794486.db2.gz DPECOUSIEPPNRR-HDJSIYSDSA-N 1 0 344.415 2.058 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001029304616 683939780 /nfs/dbraw/zinc/93/97/80/683939780.db2.gz BUXOKPPCGAOODX-YYIAUSFCSA-N 1 0 335.448 2.297 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000895228252 684311289 /nfs/dbraw/zinc/31/12/89/684311289.db2.gz XGHUCQYDHCCBKR-UONOGXRCSA-N 1 0 335.404 2.416 20 5 EEBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895245607 684372152 /nfs/dbraw/zinc/37/21/52/684372152.db2.gz GVYYFUCJRCWUQB-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124899808 686146616 /nfs/dbraw/zinc/14/66/16/686146616.db2.gz ABIPLQHKKIBWDY-NXEZZACHSA-N 1 0 347.824 2.105 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985292149 686243853 /nfs/dbraw/zinc/24/38/53/686243853.db2.gz ZOJDTYGUDAOJSL-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C(F)(F)C2CC[NH2+]CC2)n1 ZINC001211905146 1186855414 /nfs/dbraw/zinc/85/54/14/1186855414.db2.gz UHOPRWGFTOXVQO-UHFFFAOYSA-N 1 0 343.265 2.270 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877796315 1200114268 /nfs/dbraw/zinc/11/42/68/1200114268.db2.gz COGGIKTXJJVUPO-ZDUSSCGKSA-N 1 0 336.388 2.349 20 5 EEBDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877829980 1200134102 /nfs/dbraw/zinc/13/41/02/1200134102.db2.gz BTDNHYWNUYLZQC-NXOUGTEYSA-N 1 0 348.374 2.349 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCOC(F)(F)F)C2)nc1 ZINC000878251472 1200354130 /nfs/dbraw/zinc/35/41/30/1200354130.db2.gz MVAIFEGSAZQUQG-SNVBAGLBSA-N 1 0 334.298 2.403 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](CF)C1 ZINC000880293972 1201449453 /nfs/dbraw/zinc/44/94/53/1201449453.db2.gz GKVFFYGZHQYGDH-QWRGUYRKSA-N 1 0 325.340 2.222 20 5 EEBDRO CCc1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000866797690 1201608600 /nfs/dbraw/zinc/60/86/00/1201608600.db2.gz VMTWYYSZZKWJJK-UHFFFAOYSA-N 1 0 342.417 2.352 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000867832227 1201689883 /nfs/dbraw/zinc/68/98/83/1201689883.db2.gz JVTVZPWXRULRHK-AWEZNQCLSA-N 1 0 335.379 2.410 20 5 EEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883090555 1202010296 /nfs/dbraw/zinc/01/02/96/1202010296.db2.gz OVPMNHLHWZOHGK-ABCZVMIZSA-N 1 0 330.388 2.412 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890072308 1204777289 /nfs/dbraw/zinc/77/72/89/1204777289.db2.gz QRIFOLNLPUAXKM-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095427628 1205736895 /nfs/dbraw/zinc/73/68/95/1205736895.db2.gz MFKWUKXECRCRCI-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095574726 1205878608 /nfs/dbraw/zinc/87/86/08/1205878608.db2.gz LEYJKUZRLGNTRH-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112652 1206193597 /nfs/dbraw/zinc/19/35/97/1206193597.db2.gz BAJDZSGCMNCNOO-GXFFZTMASA-N 1 0 325.796 2.438 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C ZINC000928556472 1206398738 /nfs/dbraw/zinc/39/87/38/1206398738.db2.gz PQSMLEOGHXAGAI-SECBINFHSA-N 1 0 342.193 2.100 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000934080284 1207899056 /nfs/dbraw/zinc/89/90/56/1207899056.db2.gz UKURFEMMQVQNAA-VYDXJSESSA-N 1 0 349.456 2.252 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC000934435116 1207962974 /nfs/dbraw/zinc/96/29/74/1207962974.db2.gz BBCNTUQLGJXHHI-BHIYHBOVSA-N 1 0 342.395 2.164 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000778289044 1208070300 /nfs/dbraw/zinc/07/03/00/1208070300.db2.gz JPPNEPCNYFPVAN-CMPLNLGQSA-N 1 0 327.331 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000796335411 1213861957 /nfs/dbraw/zinc/86/19/57/1213861957.db2.gz SRAQOSDKHIMHDP-FPMFFAJLSA-N 1 0 348.321 2.121 20 5 EEBDRO CCN(CCCNC(=O)C1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095929351 1226452884 /nfs/dbraw/zinc/45/28/84/1226452884.db2.gz HQIGGOXVZHFVAK-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000900268543 1234137003 /nfs/dbraw/zinc/13/70/03/1234137003.db2.gz RKYLBWWNPTYVPH-HNNXBMFYSA-N 1 0 348.447 2.188 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000801965834 1236550440 /nfs/dbraw/zinc/55/04/40/1236550440.db2.gz YXKDZEXZQWLNQU-LLVKDONJSA-N 1 0 336.367 2.063 20 5 EEBDRO COc1cc(COC(=O)[C@@H](C(C)C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000803493409 1240520966 /nfs/dbraw/zinc/52/09/66/1240520966.db2.gz MKMYVOYGPYBSQI-CQSZACIVSA-N 1 0 328.340 2.372 20 5 EEBDRO O=C(NCC1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001396888 1242191762 /nfs/dbraw/zinc/19/17/62/1242191762.db2.gz UEVSITWNBKIXKV-SJJKRXNQSA-N 1 0 343.427 2.193 20 5 EEBDRO C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001097228195 1243852481 /nfs/dbraw/zinc/85/24/81/1243852481.db2.gz YHFZGVGPNXDPJM-OKILXGFUSA-N 1 0 332.404 2.138 20 5 EEBDRO O=C(NCc1cccc2c1CC[N@H+](CC1CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291379 1245487481 /nfs/dbraw/zinc/48/74/81/1245487481.db2.gz QLUFRQZLIAEJEV-QZTJIDSGSA-N 1 0 343.427 2.126 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765539 1293910539 /nfs/dbraw/zinc/91/05/39/1293910539.db2.gz CEOZMUQSAMEUCI-LBPRGKRZSA-N 1 0 343.330 2.071 20 5 EEBDRO O=c1[nH]cccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858562535 1294155033 /nfs/dbraw/zinc/15/50/33/1294155033.db2.gz KLUXXJRQOBZJHX-UHFFFAOYSA-N 1 0 328.372 2.454 20 5 EEBDRO C[C@@H]1CC[C@@H](C)C1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000794603193 1296477086 /nfs/dbraw/zinc/47/70/86/1296477086.db2.gz HPMLNEBIXDSGEP-VXGBXAGGSA-N 1 0 326.418 2.393 20 5 EEBDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886841384 1296774738 /nfs/dbraw/zinc/77/47/38/1296774738.db2.gz JNNTYIUUIFWQGU-MRXNPFEDSA-N 1 0 328.372 2.145 20 5 EEBDRO NC(=[NH2+])Nc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001215357142 1296851627 /nfs/dbraw/zinc/85/16/27/1296851627.db2.gz BJCWGSNLLCLCEW-UHFFFAOYSA-N 1 0 343.278 2.151 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C[NH2+]1 ZINC001218039751 1297554956 /nfs/dbraw/zinc/55/49/56/1297554956.db2.gz UZLIIIWCCIEXPB-HTQZYQBOSA-N 1 0 348.140 2.329 20 5 EEBDRO C[C@@H]1C[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218046131 1297556133 /nfs/dbraw/zinc/55/61/33/1297556133.db2.gz KPOMENRZEXCXQQ-APPZFPTMSA-N 1 0 348.140 2.329 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H](O)CF ZINC001221339365 1298781855 /nfs/dbraw/zinc/78/18/55/1298781855.db2.gz YRDSTLRQPUSYRB-BEFAXECRSA-N 1 0 340.398 2.309 20 5 EEBDRO COC(=O)[C@H](OC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001223642394 1300207010 /nfs/dbraw/zinc/20/70/10/1300207010.db2.gz HVYKAQIAXFELBV-MRXNPFEDSA-N 1 0 334.372 2.452 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(F)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225666129 1301117615 /nfs/dbraw/zinc/11/76/15/1301117615.db2.gz GPVBPROFZCTYCN-MEDZGJRSSA-N 1 0 338.335 2.280 20 5 EEBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733023 1301532118 /nfs/dbraw/zinc/53/21/18/1301532118.db2.gz FBVYCVYNIWWEQS-JSGCOSHPSA-N 1 0 329.360 2.384 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]1CC(=O)C2 ZINC001227217905 1301735526 /nfs/dbraw/zinc/73/55/26/1301735526.db2.gz AOKIOQRWZCNPOS-DRZCJDIDSA-N 1 0 343.339 2.032 20 5 EEBDRO COCCC[NH+]1CCC(Oc2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001227339049 1301787063 /nfs/dbraw/zinc/78/70/63/1301787063.db2.gz XQKMHQIGSZZMLW-UHFFFAOYSA-N 1 0 344.799 2.226 20 5 EEBDRO COCC1(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001228273552 1302184710 /nfs/dbraw/zinc/18/47/10/1302184710.db2.gz FVODEBKTYDLABS-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1nc(NC(=O)C(C)(C)C)nc2[nH]ccc21 ZINC001228924856 1302527490 /nfs/dbraw/zinc/52/74/90/1302527490.db2.gz DAENBZAKGLIUGC-LLVKDONJSA-O 1 0 334.444 2.416 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ncc1C(F)(F)F ZINC001230754010 1303433173 /nfs/dbraw/zinc/43/31/73/1303433173.db2.gz JXBVNIRBZDJLIR-MRVPVSSYSA-N 1 0 341.737 2.116 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111842215 1303982359 /nfs/dbraw/zinc/98/23/59/1303982359.db2.gz DWBAAFJYNAABTM-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO COCC1([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000782524567 1304078981 /nfs/dbraw/zinc/07/89/81/1304078981.db2.gz MRRJECLZBZOQTD-UHFFFAOYSA-N 1 0 325.340 2.173 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000782758140 1304113740 /nfs/dbraw/zinc/11/37/40/1304113740.db2.gz CVSMMQFKYAGTNU-UHFFFAOYSA-N 1 0 339.367 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000783624070 1304313100 /nfs/dbraw/zinc/31/31/00/1304313100.db2.gz WFUYPIOPVAAHBC-STQMWFEESA-N 1 0 325.796 2.201 20 5 EEBDRO CCOC(=O)c1c(O)c(CC)c(C)nc1O[C@H](C)C[N+](C)(C)C ZINC001234459531 1304930404 /nfs/dbraw/zinc/93/04/04/1304930404.db2.gz MJSNTCMNBILPJS-LLVKDONJSA-O 1 0 325.429 2.308 20 5 EEBDRO CCc1cc(NCC[NH+]2CC=CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001116138650 1305858324 /nfs/dbraw/zinc/85/83/24/1305858324.db2.gz MZMMJJBVQLHSBF-UHFFFAOYSA-N 1 0 339.399 2.320 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)COc1ccccc1F ZINC001120480237 1309571320 /nfs/dbraw/zinc/57/13/20/1309571320.db2.gz OIGSXMGAMYZEIQ-CYBMUJFWSA-N 1 0 349.362 2.175 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC001247859136 1310752078 /nfs/dbraw/zinc/75/20/78/1310752078.db2.gz HZELWWFFIMOJJT-NSHDSACASA-N 1 0 349.322 2.010 20 5 EEBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000840036607 1315279876 /nfs/dbraw/zinc/27/98/76/1315279876.db2.gz SOTLJEVSAOXGAC-DYVFJYSZSA-N 1 0 331.372 2.221 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000841452583 1315556527 /nfs/dbraw/zinc/55/65/27/1315556527.db2.gz DMXXYBBJYDBACG-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000841857674 1315625193 /nfs/dbraw/zinc/62/51/93/1315625193.db2.gz JVEWBZMKLBHILP-PWSUYJOCSA-N 1 0 340.811 2.375 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000843086992 1315838103 /nfs/dbraw/zinc/83/81/03/1315838103.db2.gz HPRRYPZLAKEKCR-WMZOPIPTSA-N 1 0 346.383 2.048 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000843093279 1315840560 /nfs/dbraw/zinc/84/05/60/1315840560.db2.gz FZEUNEDYZQAREU-PBHICJAKSA-N 1 0 334.347 2.133 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109625 1315844993 /nfs/dbraw/zinc/84/49/93/1315844993.db2.gz WJSHMIKLUCIEDR-DLBZAZTESA-N 1 0 345.399 2.373 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC000843125422 1315848966 /nfs/dbraw/zinc/84/89/66/1315848966.db2.gz WDVHLPWQFGXIMU-CYBMUJFWSA-N 1 0 339.823 2.436 20 5 EEBDRO C[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H]([NH3+])c1ccccc1 ZINC000843222672 1315870048 /nfs/dbraw/zinc/87/00/48/1315870048.db2.gz ILMOWVJHRXYGDF-KOLCDFICSA-N 1 0 328.332 2.182 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843378178 1315903752 /nfs/dbraw/zinc/90/37/52/1315903752.db2.gz XFHZGKQKLFOTPG-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000843485305 1315921951 /nfs/dbraw/zinc/92/19/51/1315921951.db2.gz QDWUPMAQXAEKIO-LBPRGKRZSA-N 1 0 336.348 2.073 20 5 EEBDRO O=C(COc1ccc(F)cc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150685686 1316342776 /nfs/dbraw/zinc/34/27/76/1316342776.db2.gz QIPUFIVMVUJICW-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO O=C(/C=C/c1ccco1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154218175 1316997109 /nfs/dbraw/zinc/99/71/09/1316997109.db2.gz LIYHPFLIXDSSLV-BQYQJAHWSA-N 1 0 329.356 2.497 20 5 EEBDRO O=C(Cc1ccsc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154320380 1317071884 /nfs/dbraw/zinc/07/18/84/1317071884.db2.gz LJMYHTURPIRMRR-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155035036 1317427318 /nfs/dbraw/zinc/42/73/18/1317427318.db2.gz ZYCRFDQGDMSAMF-NWDGAFQWSA-N 1 0 336.392 2.214 20 5 EEBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ncccc4[N+](=O)[O-])nc32)CC1 ZINC001251525852 1317466402 /nfs/dbraw/zinc/46/64/02/1317466402.db2.gz DWAJLFQJXZNLME-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NCC[C@H]3CCOC34C[NH2+]C4)ccc21 ZINC001155476913 1317613541 /nfs/dbraw/zinc/61/35/41/1317613541.db2.gz JCTUGLLMJXRGQJ-LBPRGKRZSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155826187 1317750570 /nfs/dbraw/zinc/75/05/70/1317750570.db2.gz BDRNIAQUYKQLEN-DOTOQJQBSA-N 1 0 343.387 2.251 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001155843062 1317760437 /nfs/dbraw/zinc/76/04/37/1317760437.db2.gz SOUSJCPYEZTXRI-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO CSCC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465795 1318081938 /nfs/dbraw/zinc/08/19/38/1318081938.db2.gz LUMUXOIXZROSIT-AWEZNQCLSA-N 1 0 339.461 2.267 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001254545769 1318116847 /nfs/dbraw/zinc/11/68/47/1318116847.db2.gz PFVVPHVUFKKDNA-UKRRQHHQSA-N 1 0 327.388 2.184 20 5 EEBDRO O=C(C1CC1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254571866 1318125802 /nfs/dbraw/zinc/12/58/02/1318125802.db2.gz CJZHYEFZOMOAOP-INIZCTEOSA-N 1 0 329.400 2.053 20 5 EEBDRO O=C(C1CC1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254571867 1318126496 /nfs/dbraw/zinc/12/64/96/1318126496.db2.gz CJZHYEFZOMOAOP-MRXNPFEDSA-N 1 0 329.400 2.053 20 5 EEBDRO O=C1CCC2(CCC(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254575163 1318128038 /nfs/dbraw/zinc/12/80/38/1318128038.db2.gz PESRWLNJVVORPU-LWGFOQHQSA-N 1 0 343.427 2.491 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CC1 ZINC001254586991 1318135379 /nfs/dbraw/zinc/13/53/79/1318135379.db2.gz NTURAGMUERUDDU-BRWVUGGUSA-N 1 0 343.427 2.489 20 5 EEBDRO Cc1nscc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156816954 1318223440 /nfs/dbraw/zinc/22/34/40/1318223440.db2.gz UDZCDVGLCCDOQP-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157264655 1318530021 /nfs/dbraw/zinc/53/00/21/1318530021.db2.gz FVLFNGLJIOVPNT-DTWKUNHWSA-N 1 0 343.840 2.291 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256081663 1318641391 /nfs/dbraw/zinc/64/13/91/1318641391.db2.gz CCCQRMSSPYSUTE-UHFFFAOYSA-N 1 0 348.447 2.258 20 5 EEBDRO Cc1cnccc1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001158112037 1319021819 /nfs/dbraw/zinc/02/18/19/1319021819.db2.gz ZLINIWKEBBSRQQ-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3csc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258111016 1319174151 /nfs/dbraw/zinc/17/41/51/1319174151.db2.gz TXLQIMFZTKCTHE-AOOOYVTPSA-N 1 0 338.389 2.358 20 5 EEBDRO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001160096969 1320069575 /nfs/dbraw/zinc/06/95/75/1320069575.db2.gz CXTWFOPOVVJUHO-QZTJIDSGSA-N 1 0 343.427 2.299 20 5 EEBDRO COC(=O)c1cnc(-n2ccc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC001160456789 1320166760 /nfs/dbraw/zinc/16/67/60/1320166760.db2.gz RFMPIWLSOZWQBL-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO O=C(CCc1cccnc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161930677 1320680831 /nfs/dbraw/zinc/68/08/31/1320680831.db2.gz ALVCNENMTJJVEK-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO COc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cnc1[N+](=O)[O-] ZINC001163062831 1321026682 /nfs/dbraw/zinc/02/66/82/1321026682.db2.gz CSHODKIYPCCHGO-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163218017 1321069540 /nfs/dbraw/zinc/06/95/40/1321069540.db2.gz BMDXFLFXMYGQLR-PBHICJAKSA-N 1 0 338.367 2.353 20 5 EEBDRO COc1c(F)cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282615 1321086770 /nfs/dbraw/zinc/08/67/70/1321086770.db2.gz AKMAGUOUJOFOLT-MEDUHNTESA-N 1 0 339.367 2.313 20 5 EEBDRO COc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001163282586 1321086861 /nfs/dbraw/zinc/08/68/61/1321086861.db2.gz AIIHCOJFAQJCLP-DYVFJYSZSA-N 1 0 335.404 2.482 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163282951 1321087297 /nfs/dbraw/zinc/08/72/97/1321087297.db2.gz CNZPDWYMWQGMCG-BONVTDFDSA-N 1 0 349.416 2.170 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163363096 1321105612 /nfs/dbraw/zinc/10/56/12/1321105612.db2.gz PMRJIIXSPQDIKA-FZMZJTMJSA-N 1 0 336.392 2.307 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cocn1 ZINC001163799433 1321219789 /nfs/dbraw/zinc/21/97/89/1321219789.db2.gz HNUUNJRXHBZMMI-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cocn1 ZINC001163799389 1321219864 /nfs/dbraw/zinc/21/98/64/1321219864.db2.gz FSNMOQPBUDPDGH-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164062854 1321283785 /nfs/dbraw/zinc/28/37/85/1321283785.db2.gz OJAWVBUZVCBSQT-JGVFFNPUSA-N 1 0 331.829 2.324 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164072602 1321285434 /nfs/dbraw/zinc/28/54/34/1321285434.db2.gz AJVZWZHFDOFVOI-JGVFFNPUSA-N 1 0 331.829 2.324 20 5 EEBDRO COc1cc2ncnc(N3CC[C@@]4(C3)CCC[NH2+]C4)c2cc1[N+](=O)[O-] ZINC001165240913 1321481810 /nfs/dbraw/zinc/48/18/10/1321481810.db2.gz VZYBZBVZOKSCQH-KRWDZBQOSA-N 1 0 343.387 2.127 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304516 1321497177 /nfs/dbraw/zinc/49/71/77/1321497177.db2.gz FHXQJLIBUFRXCO-LLVKDONJSA-N 1 0 345.325 2.225 20 5 EEBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ncc(C)cc2[N+](=O)[O-])C1 ZINC001166871032 1321805926 /nfs/dbraw/zinc/80/59/26/1321805926.db2.gz SJQHESZLKXEFKK-NSHDSACASA-N 1 0 347.444 2.487 20 5 EEBDRO Cc1nc(Cl)nc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001166901050 1321813123 /nfs/dbraw/zinc/81/31/23/1321813123.db2.gz ZLDAILNJJMZSNI-LLVKDONJSA-N 1 0 325.800 2.315 20 5 EEBDRO COC(=O)C1(Nc2c(Cl)cc(C)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166981600 1321831109 /nfs/dbraw/zinc/83/11/09/1321831109.db2.gz KZEBPCJURRLRAM-UHFFFAOYSA-N 1 0 327.768 2.264 20 5 EEBDRO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCN1C ZINC001262705881 1322354757 /nfs/dbraw/zinc/35/47/57/1322354757.db2.gz WFJFWWHORVWXNN-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307229364 1331520142 /nfs/dbraw/zinc/52/01/42/1331520142.db2.gz AAHKPMSCOKIQSX-PBHICJAKSA-N 1 0 346.431 2.393 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001318139793 1332477964 /nfs/dbraw/zinc/47/79/64/1332477964.db2.gz DLMHIQCBSGVRDR-LBPRGKRZSA-N 1 0 333.388 2.094 20 5 EEBDRO O=C(CN1CC[C@](O)(C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001321057062 1333007719 /nfs/dbraw/zinc/00/77/19/1333007719.db2.gz DGYOMZUOWSWIEL-OAHLLOKOSA-N 1 0 339.779 2.034 20 5 EEBDRO C[N@H+](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001322144402 1333216864 /nfs/dbraw/zinc/21/68/64/1333216864.db2.gz KXHMNZQTDYPTCP-UHFFFAOYSA-N 1 0 332.404 2.494 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609099667 1351842749 /nfs/dbraw/zinc/84/27/49/1351842749.db2.gz TWSSDQLXROSYNG-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1nc(N(CCc2ccccc2)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001324715657 1333744852 /nfs/dbraw/zinc/74/48/52/1333744852.db2.gz DEFUDTMKUBEOFR-UHFFFAOYSA-N 1 0 329.404 2.304 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001328814253 1334528607 /nfs/dbraw/zinc/52/86/07/1334528607.db2.gz DUQVMWMTAHMIBH-ZDUSSCGKSA-N 1 0 332.404 2.352 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331349043 1335000778 /nfs/dbraw/zinc/00/07/78/1335000778.db2.gz ZAOQEHRRSLSQGF-IXDOHACOSA-N 1 0 329.400 2.395 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001332358760 1335810069 /nfs/dbraw/zinc/81/00/69/1335810069.db2.gz BZRLGTMCVCYJKH-UHFFFAOYSA-N 1 0 341.371 2.281 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339606546 1337036769 /nfs/dbraw/zinc/03/67/69/1337036769.db2.gz XQLCEVHTTVGYEK-UHFFFAOYSA-N 1 0 330.388 2.247 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001345717868 1337462267 /nfs/dbraw/zinc/46/22/67/1337462267.db2.gz CQGWTOOBNABNQF-UONOGXRCSA-N 1 0 334.376 2.352 20 5 EEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOCC[NH3+] ZINC001575821408 1343895227 /nfs/dbraw/zinc/89/52/27/1343895227.db2.gz YTWRKOAGDHUJGV-UHFFFAOYSA-N 1 0 341.433 2.143 20 5 EEBDRO Cc1cc(S(=O)(=O)Oc2ccc(C[NH3+])cc2)c(F)cc1[N+](=O)[O-] ZINC001579640759 1344402295 /nfs/dbraw/zinc/40/22/95/1344402295.db2.gz DAFKKZIKPVRXMV-UHFFFAOYSA-N 1 0 340.332 2.269 20 5 EEBDRO C[C@@H](CCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001589830195 1349053022 /nfs/dbraw/zinc/05/30/22/1349053022.db2.gz JNAZJYGDARKLHE-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCc1ccc2c[nH+]cn2c1 ZINC001593489091 1349816768 /nfs/dbraw/zinc/81/67/68/1349816768.db2.gz VLFQARKVTKYGLA-UHFFFAOYSA-N 1 0 342.344 2.096 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCC1(F)F ZINC001603938907 1350808066 /nfs/dbraw/zinc/80/80/66/1350808066.db2.gz YQNLJBIHYWGLTL-SECBINFHSA-N 1 0 338.318 2.252 20 5 EEBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815557829 1368035451 /nfs/dbraw/zinc/03/54/51/1368035451.db2.gz GMGKYTXKRGAEKL-IINYFYTJSA-N 1 0 327.388 2.484 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@]1(C)CO ZINC000852701209 1369294532 /nfs/dbraw/zinc/29/45/32/1369294532.db2.gz AAIKDBMEZUFXEQ-MEDUHNTESA-N 1 0 339.367 2.013 20 5 EEBDRO CCN(CCC[NH+](CC)CC)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830838161 1372352008 /nfs/dbraw/zinc/35/20/08/1372352008.db2.gz LIYSHDHDCMPJBW-MRXNPFEDSA-N 1 0 337.420 2.209 20 5 EEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576381727 1403569279 /nfs/dbraw/zinc/56/92/79/1403569279.db2.gz FHXWKFHRUOKYNC-STQMWFEESA-N 1 0 341.795 2.259 20 5 EEBDRO COc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165046046 721964751 /nfs/dbraw/zinc/96/47/51/721964751.db2.gz HHBJXHKCHDXVPW-CYBMUJFWSA-N 1 0 335.408 2.238 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)n[nH]1 ZINC001167248907 757570747 /nfs/dbraw/zinc/57/07/47/757570747.db2.gz LHONLBMKKVEDOM-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000195161339 770393346 /nfs/dbraw/zinc/39/33/46/770393346.db2.gz DKQKHQGJFOOQLS-CYBMUJFWSA-N 1 0 334.420 2.419 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920275798 770649549 /nfs/dbraw/zinc/64/95/49/770649549.db2.gz LKQHZNUHAGUNHH-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237933588 774429659 /nfs/dbraw/zinc/42/96/59/774429659.db2.gz XNFYYCKAJXPGEE-GXSJLCMTSA-N 1 0 347.824 2.044 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000846944343 790762110 /nfs/dbraw/zinc/76/21/10/790762110.db2.gz VTMFMNHHDPOMJM-GOSISDBHSA-N 1 0 344.415 2.087 20 5 EEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000893938185 780320553 /nfs/dbraw/zinc/32/05/53/780320553.db2.gz BXWFLHBCDIZMJF-ZANVPECISA-N 1 0 326.194 2.498 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118787 780749722 /nfs/dbraw/zinc/74/97/22/780749722.db2.gz DYTFEAZPMPAENL-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO CC(C)(O)CC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997735755 790917410 /nfs/dbraw/zinc/91/74/10/790917410.db2.gz TXKJBKPDIRNFRT-UHFFFAOYSA-N 1 0 349.431 2.084 20 5 EEBDRO CCOC(=O)C1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809733373 783316159 /nfs/dbraw/zinc/31/61/59/783316159.db2.gz UMAKDLWPFPGDFH-ZBCRRDGASA-N 1 0 336.388 2.340 20 5 EEBDRO Cc1cc(N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001105419363 783548034 /nfs/dbraw/zinc/54/80/34/783548034.db2.gz UEMRYRSVOGMXNU-UHFFFAOYSA-N 1 0 348.447 2.140 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000061030911 790981913 /nfs/dbraw/zinc/98/19/13/790981913.db2.gz RXHSSJYMLRSXKP-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO Nc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1[N+](=O)[O-] ZINC000818006410 785160943 /nfs/dbraw/zinc/16/09/43/785160943.db2.gz AXEOSQIGLKSEDJ-UHFFFAOYSA-N 1 0 347.400 2.353 20 5 EEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000818544545 785288558 /nfs/dbraw/zinc/28/85/58/785288558.db2.gz IHLYCYMCKMMQCX-NSHDSACASA-N 1 0 336.348 2.026 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818565207 785294957 /nfs/dbraw/zinc/29/49/57/785294957.db2.gz QVQBGTYUMVNAAM-RKDXNWHRSA-N 1 0 329.759 2.126 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000818613249 785302259 /nfs/dbraw/zinc/30/22/59/785302259.db2.gz KPOBUWRDBRYDQP-CYBMUJFWSA-N 1 0 340.383 2.191 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCSC(F)(F)F)c1 ZINC000818960693 785327869 /nfs/dbraw/zinc/32/78/69/785327869.db2.gz GKINUDWBLGQDMN-JTQLQIEISA-N 1 0 340.323 2.177 20 5 EEBDRO CC(C)(CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[N+](=O)[O-] ZINC000820092660 785786526 /nfs/dbraw/zinc/78/65/26/785786526.db2.gz KTVQGFQSPLICFM-QLPKVWCKSA-N 1 0 331.416 2.069 20 5 EEBDRO Cc1c[nH]nc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996383245 786338919 /nfs/dbraw/zinc/33/89/19/786338919.db2.gz IANXXTXMEBXQAK-UHFFFAOYSA-N 1 0 349.416 2.082 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107322204 786861659 /nfs/dbraw/zinc/86/16/59/786861659.db2.gz PQSVBFOEHFOYBU-PLNGDYQASA-N 1 0 338.383 2.160 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000822287410 787113139 /nfs/dbraw/zinc/11/31/39/787113139.db2.gz NLROMEHKFLAYGB-CYBMUJFWSA-N 1 0 349.431 2.129 20 5 EEBDRO Cn1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc([N+](=O)[O-])c1=O ZINC001171094167 788710931 /nfs/dbraw/zinc/71/09/31/788710931.db2.gz NKKGTHUYUGMWRJ-LLVKDONJSA-N 1 0 338.367 2.053 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453718 789111266 /nfs/dbraw/zinc/11/12/66/789111266.db2.gz HCGOTLBARHRDDB-TXEJJXNPSA-N 1 0 325.315 2.429 20 5 EEBDRO Cc1[nH]nc(C(C)C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147108866 791706234 /nfs/dbraw/zinc/70/62/34/791706234.db2.gz DYKCWVXZTSTYIC-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EEBDRO [NH3+]CCc1cc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001171304441 791830641 /nfs/dbraw/zinc/83/06/41/791830641.db2.gz SZCPFFSRJKWNQS-UHFFFAOYSA-N 1 0 336.351 2.283 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnc(C2CC2)s1 ZINC001148602462 792555372 /nfs/dbraw/zinc/55/53/72/792555372.db2.gz CANLLCNZWJWNCZ-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO C[NH+](C)C[C@H]1COCCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918849 797150317 /nfs/dbraw/zinc/15/03/17/797150317.db2.gz CPGZYZPTIBAXPQ-WMZOPIPTSA-N 1 0 333.432 2.105 20 5 EEBDRO C[C@H](O)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009111 797195499 /nfs/dbraw/zinc/19/54/99/797195499.db2.gz RBFQDGSAUZMIRA-JTQLQIEISA-N 1 0 329.347 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ncc3c2CC[NH2+]C3)c1F ZINC001173180695 797278529 /nfs/dbraw/zinc/27/85/29/797278529.db2.gz LZLHVYGZASAFOX-JTQLQIEISA-N 1 0 334.351 2.388 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1F ZINC001173183244 797280609 /nfs/dbraw/zinc/28/06/09/797280609.db2.gz LRHNOUKTPZWFFE-HERUPUMHSA-N 1 0 326.368 2.423 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c1F ZINC001173189183 797281192 /nfs/dbraw/zinc/28/11/92/797281192.db2.gz NENNKWCMNCFJDP-NSHDSACASA-N 1 0 349.362 2.162 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2ccccn2)c1F ZINC001173193044 797282961 /nfs/dbraw/zinc/28/29/61/797282961.db2.gz SSBPHHZDGFDRNU-IAQYHMDHSA-N 1 0 349.362 2.392 20 5 EEBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235735 797313647 /nfs/dbraw/zinc/31/36/47/797313647.db2.gz YXEMZRXAWBQZQX-WMLDXEAASA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001173211916 797314618 /nfs/dbraw/zinc/31/46/18/797314618.db2.gz VJHHCIVTTRIKLV-XJKSGUPXSA-N 1 0 341.411 2.372 20 5 EEBDRO CC(F)(F)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002229853 797752064 /nfs/dbraw/zinc/75/20/64/797752064.db2.gz IWLDDMKCLBMDJB-UHFFFAOYSA-N 1 0 327.331 2.331 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC001002410297 798028360 /nfs/dbraw/zinc/02/83/60/798028360.db2.gz HNLRDTMAUYQBHE-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002790037 798599729 /nfs/dbraw/zinc/59/97/29/798599729.db2.gz BBQKBTYMDUGIQP-HUUCEWRRSA-N 1 0 337.807 2.086 20 5 EEBDRO COCCC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177697268 799085512 /nfs/dbraw/zinc/08/55/12/799085512.db2.gz ZHQGJOXNTJWOEN-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110227537 799751045 /nfs/dbraw/zinc/75/10/45/799751045.db2.gz CKRMJGFDMRSPKQ-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001110266083 801086096 /nfs/dbraw/zinc/08/60/96/801086096.db2.gz KSNGYTJUIJAONK-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](F)(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168962382 803551171 /nfs/dbraw/zinc/55/11/71/803551171.db2.gz MDNNIWZIFLWHPS-WWGRRREGSA-N 1 0 345.415 2.371 20 5 EEBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168964717 803552054 /nfs/dbraw/zinc/55/20/54/803552054.db2.gz VLAODZRRQRYGEA-AAVRWANBSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)C1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC([NH3+])CC1 ZINC001168973904 803556935 /nfs/dbraw/zinc/55/69/35/803556935.db2.gz PJQLWZDIJUNFED-XCCIUEIHSA-N 1 0 341.452 2.003 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169010095 803570257 /nfs/dbraw/zinc/57/02/57/803570257.db2.gz AXYXMXGLZWWNFQ-GBJTYRQASA-N 1 0 339.436 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)C1 ZINC001169037199 803580626 /nfs/dbraw/zinc/58/06/26/803580626.db2.gz RCAYFFBESWBSJF-KGLIPLIRSA-N 1 0 329.404 2.064 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccccc1 ZINC001169019212 803587703 /nfs/dbraw/zinc/58/77/03/803587703.db2.gz FSPVTGBEXZHKGW-DIECFANBSA-N 1 0 329.400 2.027 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(CC)nc21 ZINC001169022988 803589350 /nfs/dbraw/zinc/58/93/50/803589350.db2.gz NYXIPSJYDHZOPG-BPUTZDHNSA-N 1 0 336.436 2.284 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)c1ccccc1F ZINC001169056358 803598017 /nfs/dbraw/zinc/59/80/17/803598017.db2.gz SJNBQJVXRSBKFD-RBSFLKMASA-N 1 0 349.406 2.465 20 5 EEBDRO CCOC(=O)C1(Nc2cc(F)cc(F)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169490803 803814716 /nfs/dbraw/zinc/81/47/16/803814716.db2.gz CYDXTIXWPSMKOQ-UHFFFAOYSA-N 1 0 343.330 2.312 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804329944 803857636 /nfs/dbraw/zinc/85/76/36/803857636.db2.gz FMTMHYHDCXEKJS-GFCCVEGCSA-N 1 0 338.364 2.272 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)c1 ZINC001169710157 803982121 /nfs/dbraw/zinc/98/21/21/803982121.db2.gz ZIXBFPNHKBWWLZ-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO CC(C)(C)OCC(=[NH2+])NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789592978 808092682 /nfs/dbraw/zinc/09/26/82/808092682.db2.gz SXENNWFVMLIQLZ-UHFFFAOYSA-N 1 0 326.309 2.317 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CO)CCSCC2)c([N+](=O)[O-])c1 ZINC001170317428 809888216 /nfs/dbraw/zinc/88/82/16/809888216.db2.gz IKPRADLDBSTOCF-GFCCVEGCSA-N 1 0 340.445 2.382 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170306576 809900448 /nfs/dbraw/zinc/90/04/48/809900448.db2.gz XSSDMGRWYFQBPZ-DZGCQCFKSA-N 1 0 349.431 2.383 20 5 EEBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(C)n1 ZINC000793558245 810406715 /nfs/dbraw/zinc/40/67/15/810406715.db2.gz FTKDZSMQGARERQ-UHFFFAOYSA-N 1 0 329.404 2.395 20 5 EEBDRO Cc1ncn(-c2ncc(Cl)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157962174 811661750 /nfs/dbraw/zinc/66/17/50/811661750.db2.gz VGVIKZXCLYWTGQ-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808354024 812616109 /nfs/dbraw/zinc/61/61/09/812616109.db2.gz GXFMTKCXMKAOOF-JTQLQIEISA-N 1 0 335.451 2.055 20 5 EEBDRO Cc1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC001520384069 1119153638 /nfs/dbraw/zinc/15/36/38/1119153638.db2.gz ABXQQWJGVNWSBX-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO C[NH2+]C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001521374240 1119245321 /nfs/dbraw/zinc/24/53/21/1119245321.db2.gz XPSDSQXZPOCICN-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001523605777 1119817094 /nfs/dbraw/zinc/81/70/94/1119817094.db2.gz NVDYBHJTHIQVOT-LEWSCRJBSA-N 1 0 335.429 2.462 20 5 EEBDRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049969823 214038562 /nfs/dbraw/zinc/03/85/62/214038562.db2.gz MLPVKFOKVWIELO-AWEZNQCLSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000178653585 232339676 /nfs/dbraw/zinc/33/96/76/232339676.db2.gz KHQGLMGCOBDVAB-VIFPVBQESA-N 1 0 348.325 2.269 20 5 EEBDRO O=C(C[NH2+][C@H](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000181493313 234206454 /nfs/dbraw/zinc/20/64/54/234206454.db2.gz PDVPHJSUQYQNHE-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000236848503 535193443 /nfs/dbraw/zinc/19/34/43/535193443.db2.gz FZOFKBQANRSFGW-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000128282328 222933177 /nfs/dbraw/zinc/93/31/77/222933177.db2.gz CMJXKAMMDBUWBE-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183328567 235010612 /nfs/dbraw/zinc/01/06/12/235010612.db2.gz RFAYONWVPHAZIQ-GHMZBOCLSA-N 1 0 331.376 2.315 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429345497 295894079 /nfs/dbraw/zinc/89/40/79/295894079.db2.gz PYSUWOXFTGQHTB-STQMWFEESA-N 1 0 334.420 2.250 20 5 EEBDRO NC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161925659 283379057 /nfs/dbraw/zinc/37/90/57/283379057.db2.gz AONKFZLZHCTRLN-HIFRSBDPSA-N 1 0 344.415 2.147 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000069559710 283786819 /nfs/dbraw/zinc/78/68/19/283786819.db2.gz JUJBEYDMXAWILG-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193095505 240016742 /nfs/dbraw/zinc/01/67/42/240016742.db2.gz XXLWFPQNWTVGHD-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108037 240023762 /nfs/dbraw/zinc/02/37/62/240023762.db2.gz VMODNAPMPOQPCL-WBVHZDCISA-N 1 0 348.399 2.484 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193287281 240090000 /nfs/dbraw/zinc/09/00/00/240090000.db2.gz KPBCEZQNWSNPFY-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422907203 240286730 /nfs/dbraw/zinc/28/67/30/240286730.db2.gz KYVRIJRJXLGNBD-CQSZACIVSA-N 1 0 329.360 2.277 20 5 EEBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425490852 241148383 /nfs/dbraw/zinc/14/83/83/241148383.db2.gz ZGWAVVCZLFWHJM-MRXNPFEDSA-N 1 0 337.420 2.254 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000427368922 241416178 /nfs/dbraw/zinc/41/61/78/241416178.db2.gz BQJIFPBPZBYDQJ-MRXNPFEDSA-N 1 0 337.420 2.246 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778102 242110926 /nfs/dbraw/zinc/11/09/26/242110926.db2.gz JYCFZVOWKJALIB-NNQSOWQGSA-N 1 0 332.404 2.057 20 5 EEBDRO CC[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447801309 242317310 /nfs/dbraw/zinc/31/73/10/242317310.db2.gz BQDMCMPDCARIPA-UHFFFAOYSA-N 1 0 348.447 2.323 20 5 EEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236835360 242377276 /nfs/dbraw/zinc/37/72/76/242377276.db2.gz VEWJRDPJLLNDPB-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000109992406 220007962 /nfs/dbraw/zinc/00/79/62/220007962.db2.gz RYRMPFHANKFLFM-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451498301 243134016 /nfs/dbraw/zinc/13/40/16/243134016.db2.gz XFOHPLKPLDCWNZ-KBRIMQKVSA-N 1 0 345.399 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615590 243178577 /nfs/dbraw/zinc/17/85/77/243178577.db2.gz QCUVIHNHRBNADS-CXAGYDPISA-N 1 0 330.388 2.358 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1SC ZINC000262723959 245146829 /nfs/dbraw/zinc/14/68/29/245146829.db2.gz GNGHHLUOMDVFGJ-MWLCHTKSSA-N 1 0 339.417 2.053 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262838510 245204819 /nfs/dbraw/zinc/20/48/19/245204819.db2.gz QYVFFTUSJYAHNA-ZDUSSCGKSA-N 1 0 329.360 2.277 20 5 EEBDRO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000459769974 245242227 /nfs/dbraw/zinc/24/22/27/245242227.db2.gz GRMLHJVQNGIMNW-UHFFFAOYSA-N 1 0 329.400 2.365 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000081334782 217384728 /nfs/dbraw/zinc/38/47/28/217384728.db2.gz WDJYGPCHOSHRGS-LLVKDONJSA-N 1 0 338.383 2.120 20 5 EEBDRO C[N@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000264176954 246140103 /nfs/dbraw/zinc/14/01/03/246140103.db2.gz LVNNCNPJOFWADU-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C1OCCN1C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000495964675 247243448 /nfs/dbraw/zinc/24/34/48/247243448.db2.gz YQDHWYZKIIAEOG-KQIUPUNMSA-N 1 0 331.372 2.382 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000266327373 248249799 /nfs/dbraw/zinc/24/97/99/248249799.db2.gz TWHLMHMTQJELGX-MRXNPFEDSA-N 1 0 344.415 2.492 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000266481228 248322721 /nfs/dbraw/zinc/32/27/21/248322721.db2.gz IFXNPOCOVAVFJP-UHFFFAOYSA-N 1 0 346.431 2.311 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364388765 285102092 /nfs/dbraw/zinc/10/20/92/285102092.db2.gz SYGLQFHXCOLZBB-WBVHZDCISA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420438825 285155142 /nfs/dbraw/zinc/15/51/42/285155142.db2.gz FRBINGOESLPFTA-SNVBAGLBSA-N 1 0 347.824 2.059 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000360886774 285161853 /nfs/dbraw/zinc/16/18/53/285161853.db2.gz GDDLAFSMQIBZLD-BZSNNMDCSA-N 1 0 345.443 2.369 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000176242728 285167960 /nfs/dbraw/zinc/16/79/60/285167960.db2.gz IZIJGMURXRZLEC-INIZCTEOSA-N 1 0 330.388 2.163 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262057194 296400823 /nfs/dbraw/zinc/40/08/23/296400823.db2.gz XVGDBSCVNQJBJQ-HIFRSBDPSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000270408849 256132504 /nfs/dbraw/zinc/13/25/04/256132504.db2.gz DLYXGTJSRPOBEL-HIFRSBDPSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000271216618 256221035 /nfs/dbraw/zinc/22/10/35/256221035.db2.gz IZSJPDVFOPQCQD-XYPHTWIQSA-N 1 0 330.388 2.408 20 5 EEBDRO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272855231 256244157 /nfs/dbraw/zinc/24/41/57/256244157.db2.gz HTYWUMXUEHGYLX-LLVKDONJSA-N 1 0 339.417 2.061 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273483861 256300337 /nfs/dbraw/zinc/30/03/37/256300337.db2.gz JJSDGLYYQIHTJO-CABCVRRESA-N 1 0 335.429 2.247 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119367091 221305026 /nfs/dbraw/zinc/30/50/26/221305026.db2.gz JBUPGYGERHLDCX-MRXNPFEDSA-N 1 0 332.404 2.363 20 5 EEBDRO COc1c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000356636553 141029571 /nfs/dbraw/zinc/02/95/71/141029571.db2.gz RQCJLMCOYCUUDT-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000342904727 152673206 /nfs/dbraw/zinc/67/32/06/152673206.db2.gz VARUMRNMTUQXME-UHFFFAOYSA-N 1 0 347.462 2.186 20 5 EEBDRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361346049 153518811 /nfs/dbraw/zinc/51/88/11/153518811.db2.gz LZYHOXCEJJZHKO-AWEZNQCLSA-N 1 0 348.447 2.188 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000249747204 160384574 /nfs/dbraw/zinc/38/45/74/160384574.db2.gz ODKBNDBWDZUCLX-MGPQQGTHSA-N 1 0 334.420 2.384 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000255676386 160397794 /nfs/dbraw/zinc/39/77/94/160397794.db2.gz XTCLUBNPTCDQMB-OICCZTGUSA-N 1 0 331.416 2.262 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000066949222 159005531 /nfs/dbraw/zinc/00/55/31/159005531.db2.gz CYZHAESVWWTMAU-UHFFFAOYSA-N 1 0 349.309 2.217 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081996384 159159374 /nfs/dbraw/zinc/15/93/74/159159374.db2.gz WLEAYWOPPKIDSK-UHFFFAOYSA-N 1 0 349.431 2.143 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000089924579 159188840 /nfs/dbraw/zinc/18/88/40/159188840.db2.gz YOOZPQVJGMADPG-UHFFFAOYSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178167270 159895660 /nfs/dbraw/zinc/89/56/60/159895660.db2.gz QRLMAIVXURXPQW-CHWSQXEVSA-N 1 0 334.420 2.275 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341821975 161016323 /nfs/dbraw/zinc/01/63/23/161016323.db2.gz KCECBEJJUUPUPL-FRRDWIJNSA-N 1 0 334.420 2.472 20 5 EEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342486064 161068996 /nfs/dbraw/zinc/06/89/96/161068996.db2.gz GIMDBTXZTKOIFW-NNQSOWQGSA-N 1 0 335.379 2.360 20 5 EEBDRO C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342577173 161075419 /nfs/dbraw/zinc/07/54/19/161075419.db2.gz BAPUVAYHVKACET-JKSUJKDBSA-N 1 0 333.388 2.201 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000342762027 161088466 /nfs/dbraw/zinc/08/84/66/161088466.db2.gz WMLZGNGDTBNQMF-DOMZBBRYSA-N 1 0 335.379 2.362 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000344102185 161198475 /nfs/dbraw/zinc/19/84/75/161198475.db2.gz DZJVUSZIWFNEFB-UHFFFAOYSA-N 1 0 335.404 2.483 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000344450129 161228758 /nfs/dbraw/zinc/22/87/58/161228758.db2.gz LNXCRNFXZDEALG-OKILXGFUSA-N 1 0 335.404 2.223 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000344864181 161251819 /nfs/dbraw/zinc/25/18/19/161251819.db2.gz LQGVKORNUZISHI-QQGHQYIOSA-N 1 0 347.415 2.224 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000349217873 161533347 /nfs/dbraw/zinc/53/33/47/161533347.db2.gz NFXTYQQKKBHQSA-MRXNPFEDSA-N 1 0 349.431 2.476 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352503679 162161193 /nfs/dbraw/zinc/16/11/93/162161193.db2.gz IVVJZGQDUUUQNS-ZDUSSCGKSA-N 1 0 331.376 2.348 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352574659 162195049 /nfs/dbraw/zinc/19/50/49/162195049.db2.gz IORNMOVYOKYPPF-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898003 166148378 /nfs/dbraw/zinc/14/83/78/166148378.db2.gz VSNWCUNFUDWKDI-UKRRQHHQSA-N 1 0 339.779 2.344 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000369626553 166299478 /nfs/dbraw/zinc/29/94/78/166299478.db2.gz BNNYYZIPQPQUFS-HNNXBMFYSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000370651380 166504205 /nfs/dbraw/zinc/50/42/05/166504205.db2.gz PYXOALKYJCDBDJ-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375739332 167182402 /nfs/dbraw/zinc/18/24/02/167182402.db2.gz ZZMPZPYXZVCWRR-HUUCEWRRSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)s1 ZINC000376297302 167299626 /nfs/dbraw/zinc/29/96/26/167299626.db2.gz YPWZCCCTMXKKQK-VXGBXAGGSA-N 1 0 334.397 2.251 20 5 EEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000157429691 224826335 /nfs/dbraw/zinc/82/63/35/224826335.db2.gz PPPSAKDOYWVYRL-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO CCOc1cccc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275435353 269115040 /nfs/dbraw/zinc/11/50/40/269115040.db2.gz FIERSVQYSWIGJI-ZDUSSCGKSA-N 1 0 337.420 2.275 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000277367347 269150981 /nfs/dbraw/zinc/15/09/81/269150981.db2.gz VGPSQUWKSDPEOW-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277624886 269164049 /nfs/dbraw/zinc/16/40/49/269164049.db2.gz WOHLGWCYWFNKHG-LBPRGKRZSA-N 1 0 335.408 2.017 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C[C@@H]3CCOC3)CC1)CCN2 ZINC000278491694 269233351 /nfs/dbraw/zinc/23/33/51/269233351.db2.gz WGKFDLHOHWDXBM-ZDUSSCGKSA-N 1 0 346.431 2.476 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000278652124 269239414 /nfs/dbraw/zinc/23/94/14/269239414.db2.gz SRJVKQKKTFDZTQ-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281138978 269407955 /nfs/dbraw/zinc/40/79/55/269407955.db2.gz UZFYWKIVUZHQLJ-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO CO[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C[NH3+])C1 ZINC000415478801 274063688 /nfs/dbraw/zinc/06/36/88/274063688.db2.gz DRJNYWBBKDOINU-CHWSQXEVSA-N 1 0 336.392 2.182 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000272795980 274182841 /nfs/dbraw/zinc/18/28/41/274182841.db2.gz GYNFRDBNVNSGMK-OLZOCXBDSA-N 1 0 334.376 2.352 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000274131193 274186609 /nfs/dbraw/zinc/18/66/09/274186609.db2.gz YKCNWRSLUSFZAN-UWVGGRQHSA-N 1 0 327.768 2.201 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275423966 274246874 /nfs/dbraw/zinc/24/68/74/274246874.db2.gz HZKXEBGIUYKNEO-OAHLLOKOSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000286797626 274907246 /nfs/dbraw/zinc/90/72/46/274907246.db2.gz VRMHPJOEILGLHX-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000291334702 275295379 /nfs/dbraw/zinc/29/53/79/275295379.db2.gz WOHOQEIYRGPSCB-UHFFFAOYSA-N 1 0 341.433 2.229 20 5 EEBDRO CC(C)[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000291675554 275328873 /nfs/dbraw/zinc/32/88/73/275328873.db2.gz BUQAOCBBKGRKDT-GFCCVEGCSA-N 1 0 348.325 2.125 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192993125 276389466 /nfs/dbraw/zinc/38/94/66/276389466.db2.gz REGLBFJJAIAQIA-NHYWBVRUSA-N 1 0 326.418 2.385 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000338747794 277073101 /nfs/dbraw/zinc/07/31/01/277073101.db2.gz VBFGCCHGVGYNNS-QGZVFWFLSA-N 1 0 327.388 2.460 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346229260 278239376 /nfs/dbraw/zinc/23/93/76/278239376.db2.gz SCXKHEZBCWLCFP-UWVGGRQHSA-N 1 0 329.784 2.082 20 5 EEBDRO Cc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000374151228 278632617 /nfs/dbraw/zinc/63/26/17/278632617.db2.gz LUWSWMIGGFIAJE-UHFFFAOYSA-N 1 0 346.431 2.433 20 5 EEBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000077248992 279257403 /nfs/dbraw/zinc/25/74/03/279257403.db2.gz VIKPQCDVUJDQHH-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721560 279828743 /nfs/dbraw/zinc/82/87/43/279828743.db2.gz PADQDORAOJOSRA-RHSMWYFYSA-N 1 0 335.404 2.086 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236982088 281433048 /nfs/dbraw/zinc/43/30/48/281433048.db2.gz DCIFWLKZVNDTAB-RISCZKNCSA-N 1 0 341.433 2.048 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000282157630 292815472 /nfs/dbraw/zinc/81/54/72/292815472.db2.gz TZRBFPFBSWWNSN-HNNXBMFYSA-N 1 0 333.388 2.133 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234344 293158112 /nfs/dbraw/zinc/15/81/12/293158112.db2.gz SJBYXHMKVKBOAC-WMLDXEAASA-N 1 0 338.404 2.081 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000293237205 293159025 /nfs/dbraw/zinc/15/90/25/293159025.db2.gz YYOQTCJIYHEVRC-ZDUSSCGKSA-N 1 0 334.420 2.121 20 5 EEBDRO CSC1(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000294141684 293380662 /nfs/dbraw/zinc/38/06/62/293380662.db2.gz UXAILMWVSNWVLE-UHFFFAOYSA-N 1 0 335.429 2.248 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000297158072 294166754 /nfs/dbraw/zinc/16/67/54/294166754.db2.gz MLVRPTLPGSIOLG-UHFFFAOYSA-N 1 0 335.408 2.017 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000161546202 311367683 /nfs/dbraw/zinc/36/76/83/311367683.db2.gz DYFGFWDQYKAEKW-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CNC(=O)NC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000413565675 312890534 /nfs/dbraw/zinc/89/05/34/312890534.db2.gz HMSRXKPLUPIJIW-UHFFFAOYSA-N 1 0 343.387 2.349 20 5 EEBDRO CO[C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000415576387 313147509 /nfs/dbraw/zinc/14/75/09/313147509.db2.gz GCDMCQKVWMRWRW-STQMWFEESA-N 1 0 336.392 2.182 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421008001 314022170 /nfs/dbraw/zinc/02/21/70/314022170.db2.gz CWLDZFIWVLDIDT-UONOGXRCSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025491 314029281 /nfs/dbraw/zinc/02/92/81/314029281.db2.gz QXZLJVCZDCRGRN-QWHCGFSZSA-N 1 0 338.408 2.091 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000439136138 315069983 /nfs/dbraw/zinc/06/99/83/315069983.db2.gz RJEPKPBMTWOLSE-OAHLLOKOSA-N 1 0 344.371 2.491 20 5 EEBDRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443454694 315248264 /nfs/dbraw/zinc/24/82/64/315248264.db2.gz OOYALUBTBUTOBP-LBPRGKRZSA-N 1 0 349.412 2.234 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000444401275 315299668 /nfs/dbraw/zinc/29/96/68/315299668.db2.gz BHVXFPREKUCTMY-ZDUSSCGKSA-N 1 0 333.388 2.350 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444621018 315311516 /nfs/dbraw/zinc/31/15/16/315311516.db2.gz XUCZSMADWBHVKU-UHFFFAOYSA-N 1 0 337.424 2.122 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448881522 315396636 /nfs/dbraw/zinc/39/66/36/315396636.db2.gz MBSXQPCLOZQQRO-CQSZACIVSA-N 1 0 343.387 2.151 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000449225836 315435254 /nfs/dbraw/zinc/43/52/54/315435254.db2.gz PIERYZUPTKLEJG-QWHCGFSZSA-N 1 0 331.372 2.413 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452035086 315486561 /nfs/dbraw/zinc/48/65/61/315486561.db2.gz WEBKVCTUQUKLJF-DJIMGWMZSA-N 1 0 338.404 2.272 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000493186013 315905504 /nfs/dbraw/zinc/90/55/04/315905504.db2.gz GRBSGDNGQSPQDQ-NJELEJDNSA-N 1 0 333.363 2.349 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000514349912 316395108 /nfs/dbraw/zinc/39/51/08/316395108.db2.gz MXSRMZRVXDVHTH-CQSZACIVSA-N 1 0 332.360 2.093 20 5 EEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C[NH3+])C1CC1 ZINC000516570987 316571864 /nfs/dbraw/zinc/57/18/64/316571864.db2.gz JKQWANOSRDJPGJ-QGZVFWFLSA-N 1 0 346.431 2.007 20 5 EEBDRO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141118 318071096 /nfs/dbraw/zinc/07/10/96/318071096.db2.gz CTZBLXWHIODAQO-IPYPFGDCSA-N 1 0 340.445 2.329 20 5 EEBDRO CNc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000545432466 318221004 /nfs/dbraw/zinc/22/10/04/318221004.db2.gz WSRVFYRWNXCCFJ-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](CO)Cc2ccco2)n1 ZINC000562603539 318902369 /nfs/dbraw/zinc/90/23/69/318902369.db2.gz PJXKHTVSNHTJHE-FVQBIDKESA-N 1 0 348.403 2.309 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004833 319234366 /nfs/dbraw/zinc/23/43/66/319234366.db2.gz FZKYDROBDJRJHY-HUUCEWRRSA-N 1 0 331.372 2.470 20 5 EEBDRO CSC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000570837575 319703052 /nfs/dbraw/zinc/70/30/52/319703052.db2.gz ZATKTYDWHBXVRB-ZDUSSCGKSA-N 1 0 326.418 2.210 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2csc3ccccc23)c1 ZINC000578210937 320301153 /nfs/dbraw/zinc/30/11/53/320301153.db2.gz XBBQXQWXUZOEIG-ZDUSSCGKSA-N 1 0 332.385 2.157 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181963193 323360910 /nfs/dbraw/zinc/36/09/10/323360910.db2.gz GNFSBXOFELEJSS-LRDDRELGSA-N 1 0 335.404 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181963169 323361060 /nfs/dbraw/zinc/36/10/60/323361060.db2.gz GNFSBXOFELEJSS-WBMJQRKESA-N 1 0 335.404 2.224 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000182298106 323371678 /nfs/dbraw/zinc/37/16/78/323371678.db2.gz RPKBAWGBJPURPM-TZMCWYRMSA-N 1 0 337.376 2.089 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCc2ccc(O)cc2)c1 ZINC000580709688 324115990 /nfs/dbraw/zinc/11/59/90/324115990.db2.gz LIRXOMNLWRCHHW-QGZVFWFLSA-N 1 0 346.383 2.263 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000580873739 324143299 /nfs/dbraw/zinc/14/32/99/324143299.db2.gz FPTCLKSWFBSILF-CQSZACIVSA-N 1 0 347.415 2.404 20 5 EEBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000581516468 324268162 /nfs/dbraw/zinc/26/81/62/324268162.db2.gz LOQYVOAGRCXDRI-UHFFFAOYSA-N 1 0 346.391 2.238 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000188726585 464353587 /nfs/dbraw/zinc/35/35/87/464353587.db2.gz JLUWOOHTIINBSB-CQSZACIVSA-N 1 0 345.399 2.353 20 5 EEBDRO C[NH+](C)CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000341180847 465035939 /nfs/dbraw/zinc/03/59/39/465035939.db2.gz FBHPRVWNYIDEIF-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO Cc1c(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358549644 465187103 /nfs/dbraw/zinc/18/71/03/465187103.db2.gz ZHIHERJCWMQRRU-CYBMUJFWSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000351522266 465201083 /nfs/dbraw/zinc/20/10/83/465201083.db2.gz JVTWEISZKQLMBR-XJKSGUPXSA-N 1 0 332.360 2.286 20 5 EEBDRO COc1c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000356323716 465312459 /nfs/dbraw/zinc/31/24/59/465312459.db2.gz YKPXASLTYVADEE-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590663848 468299434 /nfs/dbraw/zinc/29/94/34/468299434.db2.gz VPHIWZLJDHRJBI-AWEZNQCLSA-N 1 0 335.404 2.281 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000590668219 468300256 /nfs/dbraw/zinc/30/02/56/468300256.db2.gz RCFYOGULZWQJHO-GFCCVEGCSA-N 1 0 343.387 2.009 20 5 EEBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)[NH+]1C ZINC000339619939 465393502 /nfs/dbraw/zinc/39/35/02/465393502.db2.gz KFJOVBGGOZPBTP-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000063695355 462662509 /nfs/dbraw/zinc/66/25/09/462662509.db2.gz PJPSEAKGOHVOGE-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688174 462667648 /nfs/dbraw/zinc/66/76/48/462667648.db2.gz QSIWZLHMPOYWQD-INIZCTEOSA-N 1 0 328.372 2.409 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154230654 462743841 /nfs/dbraw/zinc/74/38/41/462743841.db2.gz YDZXPANDBDSPFM-GMTAPVOTSA-N 1 0 341.795 2.224 20 5 EEBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000008097890 462767101 /nfs/dbraw/zinc/76/71/01/462767101.db2.gz ZSNNTSBRDGAXJW-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131283293 462803461 /nfs/dbraw/zinc/80/34/61/462803461.db2.gz OZJDVHRMYZTKAM-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CC[NH+](C2CC2)CC1 ZINC000065841962 462833187 /nfs/dbraw/zinc/83/31/87/462833187.db2.gz GYIPLIZAGKPBTE-UHFFFAOYSA-N 1 0 342.399 2.293 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066140298 462854551 /nfs/dbraw/zinc/85/45/51/462854551.db2.gz GRWUDDMWBGZCCK-CYBMUJFWSA-N 1 0 332.404 2.396 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066372839 462880887 /nfs/dbraw/zinc/88/08/87/462880887.db2.gz FFEVJMYHFHFTOB-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000521613427 468323852 /nfs/dbraw/zinc/32/38/52/468323852.db2.gz UIGIKJHKGFFDBJ-MRXNPFEDSA-N 1 0 332.404 2.028 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1CCOCC1 ZINC000155836114 462950053 /nfs/dbraw/zinc/95/00/53/462950053.db2.gz FKDYFYGEONSWHJ-UHFFFAOYSA-N 1 0 349.387 2.251 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000133652829 462955480 /nfs/dbraw/zinc/95/54/80/462955480.db2.gz FIJMYIUHYLETNY-WBVHZDCISA-N 1 0 331.416 2.388 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c2ncccc12 ZINC000092620536 462966002 /nfs/dbraw/zinc/96/60/02/462966002.db2.gz QMJVKOYAZCVFDZ-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133131 463097350 /nfs/dbraw/zinc/09/73/50/463097350.db2.gz ANGLADIVWUHWNC-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000157700857 463160632 /nfs/dbraw/zinc/16/06/32/463160632.db2.gz XHJMUZIZWSUDCK-WFASDCNBSA-N 1 0 332.404 2.052 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000069044898 463201975 /nfs/dbraw/zinc/20/19/75/463201975.db2.gz NGBNMRDTPAZFBM-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000070928429 463394691 /nfs/dbraw/zinc/39/46/91/463394691.db2.gz PRRQZYFVEASBFI-UHFFFAOYSA-N 1 0 330.344 2.229 20 5 EEBDRO CC[NH+](CC)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000124285072 463405374 /nfs/dbraw/zinc/40/53/74/463405374.db2.gz BVOSFWHNWNHZCV-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000033901285 463425751 /nfs/dbraw/zinc/42/57/51/463425751.db2.gz GNHJCPGGHGYXHT-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041758070 463506671 /nfs/dbraw/zinc/50/66/71/463506671.db2.gz PZXIOQUGKUDLMB-UHFFFAOYSA-N 1 0 345.403 2.098 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072860156 463555092 /nfs/dbraw/zinc/55/50/92/463555092.db2.gz QFAMFNACYIBEQA-CQSZACIVSA-N 1 0 334.420 2.115 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126231926 463618402 /nfs/dbraw/zinc/61/84/02/463618402.db2.gz AQYRGLVOMDKKAE-BZNIZROVSA-N 1 0 330.388 2.488 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000152268877 463669294 /nfs/dbraw/zinc/66/92/94/463669294.db2.gz VVKNXRNVPXWTAC-CYBMUJFWSA-N 1 0 335.404 2.467 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112308910 463697176 /nfs/dbraw/zinc/69/71/76/463697176.db2.gz VENBHXTXFNTGQT-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO CC(C)(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCCC1 ZINC000276695567 463722120 /nfs/dbraw/zinc/72/21/20/463722120.db2.gz HVWZVCNKLGJZCL-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177577300 463740744 /nfs/dbraw/zinc/74/07/44/463740744.db2.gz VBUSVZPJBMAZOT-QWHCGFSZSA-N 1 0 334.420 2.263 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178199801 463860243 /nfs/dbraw/zinc/86/02/43/463860243.db2.gz KTOIJCHIEYRAIM-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000287565588 463929904 /nfs/dbraw/zinc/92/99/04/463929904.db2.gz QJNJJVNGMBWIAO-OCCSQVGLSA-N 1 0 343.387 2.101 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000269284949 463940343 /nfs/dbraw/zinc/94/03/43/463940343.db2.gz QVMBUKVWXNLVHH-GDBMZVCRSA-N 1 0 330.388 2.274 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000262110830 463949765 /nfs/dbraw/zinc/94/97/65/463949765.db2.gz AXMWZVVHNXSXFB-JKSUJKDBSA-N 1 0 325.368 2.470 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262278440 463990287 /nfs/dbraw/zinc/99/02/87/463990287.db2.gz UHNFVEOINXEICT-KGLIPLIRSA-N 1 0 331.397 2.471 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625729 464038276 /nfs/dbraw/zinc/03/82/76/464038276.db2.gz COHYHHUINYIHIR-MAUKXSAKSA-N 1 0 333.432 2.436 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000263640600 464136168 /nfs/dbraw/zinc/13/61/68/464136168.db2.gz ASVYJTUBESFKPO-CYBMUJFWSA-N 1 0 349.387 2.008 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000263640601 464136438 /nfs/dbraw/zinc/13/64/38/464136438.db2.gz ASVYJTUBESFKPO-ZDUSSCGKSA-N 1 0 349.387 2.008 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270046756 464169334 /nfs/dbraw/zinc/16/93/34/464169334.db2.gz FAWCFJUOVBTGLJ-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270054432 464172149 /nfs/dbraw/zinc/17/21/49/464172149.db2.gz CXJQQPDHYOPTBS-HNNXBMFYSA-N 1 0 346.431 2.197 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270073751 464179140 /nfs/dbraw/zinc/17/91/40/464179140.db2.gz HEPRISKCUFUHLI-INIZCTEOSA-N 1 0 331.416 2.328 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000188424440 464276352 /nfs/dbraw/zinc/27/63/52/464276352.db2.gz HILNFTHGFQGSFQ-CYBMUJFWSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000237437158 464319841 /nfs/dbraw/zinc/31/98/41/464319841.db2.gz ADSJOBRLRHCOPH-UONOGXRCSA-N 1 0 334.420 2.149 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173965433 464340731 /nfs/dbraw/zinc/34/07/31/464340731.db2.gz ZYIYDEXFOXUOHE-SWLSCSKDSA-N 1 0 343.387 2.175 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCN(CC(F)F)CC1 ZINC000180585486 464342670 /nfs/dbraw/zinc/34/26/70/464342670.db2.gz YIYBQGQZZYCKOG-UHFFFAOYSA-N 1 0 329.347 2.376 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000237608881 464348280 /nfs/dbraw/zinc/34/82/80/464348280.db2.gz OHCTYJWHCAGOAX-CXAGYDPISA-N 1 0 342.399 2.459 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264608181 464392102 /nfs/dbraw/zinc/39/21/02/464392102.db2.gz MSHRYNOFCIBZCN-WCQYABFASA-N 1 0 334.294 2.361 20 5 EEBDRO [NH3+]C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000237928153 464405719 /nfs/dbraw/zinc/40/57/19/464405719.db2.gz TUTQQHCPEXIPQG-UHFFFAOYSA-N 1 0 335.407 2.104 20 5 EEBDRO COCCN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000264653165 464410427 /nfs/dbraw/zinc/41/04/27/464410427.db2.gz XIRYZMUACJERKZ-LBPRGKRZSA-N 1 0 345.346 2.007 20 5 EEBDRO Cc1cc(NC(=O)CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000285315143 464521361 /nfs/dbraw/zinc/52/13/61/464521361.db2.gz MKGHEFMOPDXXFV-UHFFFAOYSA-N 1 0 332.360 2.394 20 5 EEBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000189950825 464569334 /nfs/dbraw/zinc/56/93/34/464569334.db2.gz LROGIMKIEYKSBD-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO CC(C)(CCC(=O)NCc1ccc(-n2ccnc2)c(F)c1)[N+](=O)[O-] ZINC000294709763 464581670 /nfs/dbraw/zinc/58/16/70/464581670.db2.gz ZOFIVGBBRDBUFU-UHFFFAOYSA-N 1 0 334.351 2.463 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294737187 464590736 /nfs/dbraw/zinc/59/07/36/464590736.db2.gz WFQCEXQQALRQGA-NSHDSACASA-N 1 0 339.367 2.347 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000182218235 464602502 /nfs/dbraw/zinc/60/25/02/464602502.db2.gz PJLGDFNQLUTVOC-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000294890235 464639242 /nfs/dbraw/zinc/63/92/42/464639242.db2.gz QTHXGRILCYZZTC-MAUKXSAKSA-N 1 0 347.459 2.352 20 5 EEBDRO CC[C@@H](O)CC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272515914 464641242 /nfs/dbraw/zinc/64/12/42/464641242.db2.gz XOALKPUZUPAMJF-LLVKDONJSA-N 1 0 348.346 2.498 20 5 EEBDRO COc1ccc(NC(=O)CN(C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000295075254 464697043 /nfs/dbraw/zinc/69/70/43/464697043.db2.gz CXJOSCNCJYFVHQ-UHFFFAOYSA-N 1 0 330.344 2.069 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838678 464705327 /nfs/dbraw/zinc/70/53/27/464705327.db2.gz FTJDWMUPVSYPCG-STQMWFEESA-N 1 0 342.417 2.049 20 5 EEBDRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000265863784 464713195 /nfs/dbraw/zinc/71/31/95/464713195.db2.gz TTZKSGVYKFBXSZ-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850678 464717736 /nfs/dbraw/zinc/71/77/36/464717736.db2.gz PHRCQEDLPXSCRC-HIFRSBDPSA-N 1 0 333.388 2.059 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1cccc(Cl)c1 ZINC000176207936 464720718 /nfs/dbraw/zinc/72/07/18/464720718.db2.gz KHMGVZAFLJNYFL-UHFFFAOYSA-N 1 0 337.767 2.015 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000295285355 464774096 /nfs/dbraw/zinc/77/40/96/464774096.db2.gz BQVVBUPBWFCHCH-NEPJUHHUSA-N 1 0 331.376 2.489 20 5 EEBDRO Cn1cc(C[N@H+](C)CC2CC(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191158496 464787245 /nfs/dbraw/zinc/78/72/45/464787245.db2.gz ARHOUZORVGQTSI-UHFFFAOYSA-N 1 0 330.388 2.198 20 5 EEBDRO COCC[N@@H+](Cc1cccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191237445 464804205 /nfs/dbraw/zinc/80/42/05/464804205.db2.gz MCDDNWJJLLCWSG-QGZVFWFLSA-N 1 0 331.372 2.172 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000295413601 464823046 /nfs/dbraw/zinc/82/30/46/464823046.db2.gz NGPHIONUTFGLOR-IINYFYTJSA-N 1 0 335.360 2.228 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192131296 464871274 /nfs/dbraw/zinc/87/12/74/464871274.db2.gz FEUKSIMVLJSMCD-CABCVRRESA-N 1 0 338.314 2.189 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000286432307 464915647 /nfs/dbraw/zinc/91/56/47/464915647.db2.gz WDGFXVFETJPJBW-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000183892840 464923327 /nfs/dbraw/zinc/92/33/27/464923327.db2.gz VVLQRNOJCODXGJ-AWEZNQCLSA-N 1 0 349.435 2.051 20 5 EEBDRO COC(=O)c1oc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1C ZINC000597052687 468428657 /nfs/dbraw/zinc/42/86/57/468428657.db2.gz DHLGITUHRMPGOO-UHFFFAOYSA-N 1 0 334.328 2.451 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000177442762 465015524 /nfs/dbraw/zinc/01/55/24/465015524.db2.gz TZUYGMSTYOTGTE-UHFFFAOYSA-N 1 0 349.435 2.407 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CC[C@@H](C3CCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000591240530 468431931 /nfs/dbraw/zinc/43/19/31/468431931.db2.gz URZZBRIKZMVQFD-CJNGLKHVSA-N 1 0 343.383 2.349 20 5 EEBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339671140 465432466 /nfs/dbraw/zinc/43/24/66/465432466.db2.gz KZDMIECPBQJVPX-OLZOCXBDSA-N 1 0 335.429 2.430 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000554641045 468435368 /nfs/dbraw/zinc/43/53/68/468435368.db2.gz FNCRWOULHWLTJR-XJKSGUPXSA-N 1 0 342.399 2.326 20 5 EEBDRO Cc1cc(N2C[C@@H]([NH+](C)C)[C@@H](O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954150 465510532 /nfs/dbraw/zinc/51/05/32/465510532.db2.gz JTOHWOIPXOPIKH-OLZOCXBDSA-N 1 0 333.310 2.033 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000356750002 465519347 /nfs/dbraw/zinc/51/93/47/465519347.db2.gz ZFZFJLCBPCNHFM-CYBMUJFWSA-N 1 0 345.403 2.239 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000353029193 465586849 /nfs/dbraw/zinc/58/68/49/465586849.db2.gz PIYXCFCRKARSKU-LLVKDONJSA-N 1 0 343.330 2.485 20 5 EEBDRO COC(=O)C1CC[NH+](CCCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299127679 465614518 /nfs/dbraw/zinc/61/45/18/465614518.db2.gz CDMMPABCEXZHEC-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO COC[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000353078042 465620512 /nfs/dbraw/zinc/62/05/12/465620512.db2.gz GNTNSIFKBJTREM-OAHLLOKOSA-N 1 0 345.399 2.460 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000360879603 465621036 /nfs/dbraw/zinc/62/10/36/465621036.db2.gz JFBUZQPWORMENQ-RYUDHWBXSA-N 1 0 325.413 2.031 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cncc(C)c2)cc1[N+](=O)[O-] ZINC000353182201 465697628 /nfs/dbraw/zinc/69/76/28/465697628.db2.gz NBPCHPPQDKCZDN-UHFFFAOYSA-N 1 0 345.355 2.140 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000344592811 465703398 /nfs/dbraw/zinc/70/33/98/465703398.db2.gz BUGUJCVSILOQEW-CQSZACIVSA-N 1 0 345.403 2.321 20 5 EEBDRO COc1cc(CN2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330607079 465728148 /nfs/dbraw/zinc/72/81/48/465728148.db2.gz JGUHIZHVUGIARY-SNVBAGLBSA-N 1 0 345.346 2.341 20 5 EEBDRO C[C@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361064259 465740589 /nfs/dbraw/zinc/74/05/89/465740589.db2.gz BQSLFIOXFLGCBW-SMDDNHRTSA-N 1 0 332.404 2.382 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011021 468450092 /nfs/dbraw/zinc/45/00/92/468450092.db2.gz UDAXVAUZEBONKP-RDJZCZTQSA-N 1 0 331.372 2.470 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000591354738 468456270 /nfs/dbraw/zinc/45/62/70/468456270.db2.gz UOGWMMVCNYQOLY-KCXAZCMYSA-N 1 0 332.404 2.439 20 5 EEBDRO Cn1c2ccccc2nc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348919836 465871899 /nfs/dbraw/zinc/87/18/99/465871899.db2.gz IHPSYVFARCBSLI-UHFFFAOYSA-N 1 0 325.372 2.447 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000361326366 465910934 /nfs/dbraw/zinc/91/09/34/465910934.db2.gz YEZZCTMYTLNPNV-UHFFFAOYSA-N 1 0 329.347 2.423 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4n[nH]cc43)CC2)cn1 ZINC000600110205 468461350 /nfs/dbraw/zinc/46/13/50/468461350.db2.gz YHEGPOASENXVNX-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO O=c1[nH]cnc2cc(N3CCC[C@H]([NH+]4CCCC4)C3)c([N+](=O)[O-])cc21 ZINC000301296153 465937146 /nfs/dbraw/zinc/93/71/46/465937146.db2.gz YGFLPPBFDNISBF-LBPRGKRZSA-N 1 0 343.387 2.308 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000371823120 466018325 /nfs/dbraw/zinc/01/83/25/466018325.db2.gz BDWIMQVSRKINHX-IAGOWNOFSA-N 1 0 349.431 2.025 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301775621 466028938 /nfs/dbraw/zinc/02/89/38/466028938.db2.gz HHOZKZTYJRCWNE-LBPRGKRZSA-N 1 0 340.374 2.089 20 5 EEBDRO CC(C)C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](C)C ZINC000362828537 466055108 /nfs/dbraw/zinc/05/51/08/466055108.db2.gz UWJLMGUMJJVVIK-AWEZNQCLSA-N 1 0 333.392 3.033 20 5 EEBDRO CC1CC[NH+](C[C@H]2CCCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000362853103 466074900 /nfs/dbraw/zinc/07/49/00/466074900.db2.gz SPCNOQGWOLTGBN-OAHLLOKOSA-N 1 0 335.452 2.272 20 5 EEBDRO Cc1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000331541062 466131802 /nfs/dbraw/zinc/13/18/02/466131802.db2.gz QKTQORQOHHDMPS-UHFFFAOYSA-N 1 0 337.424 2.353 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362963506 466147848 /nfs/dbraw/zinc/14/78/48/466147848.db2.gz AHUYHPBTWCKSST-ZDUSSCGKSA-N 1 0 343.387 2.172 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1[NH+](C)C ZINC000331669040 466189245 /nfs/dbraw/zinc/18/92/45/466189245.db2.gz YKQOCNGPPMLKAJ-KGLIPLIRSA-N 1 0 348.428 2.194 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155568 466191933 /nfs/dbraw/zinc/19/19/33/466191933.db2.gz GFSSXXGEAMNCGL-STQMWFEESA-N 1 0 334.372 2.320 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577833 468486061 /nfs/dbraw/zinc/48/60/61/468486061.db2.gz IPCJMPINUKIFPC-GOEBONIOSA-N 1 0 329.404 2.149 20 5 EEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332072261 466372630 /nfs/dbraw/zinc/37/26/30/466372630.db2.gz XDQQPVQZAXSCON-HUUCEWRRSA-N 1 0 339.342 2.159 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000372444906 466385854 /nfs/dbraw/zinc/38/58/54/466385854.db2.gz HKOWOWNKRWYSEL-LBPRGKRZSA-N 1 0 341.795 2.275 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000358036203 466402609 /nfs/dbraw/zinc/40/26/09/466402609.db2.gz KOGSMNUTWDHLFH-TZMCWYRMSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363447192 466408980 /nfs/dbraw/zinc/40/89/80/466408980.db2.gz ADELMCSWEWCUNB-HUUCEWRRSA-N 1 0 335.452 2.415 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000305439523 466409294 /nfs/dbraw/zinc/40/92/94/466409294.db2.gz LGXBVWBWAMVIBL-OAHLLOKOSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305756525 466449361 /nfs/dbraw/zinc/44/93/61/466449361.db2.gz BDJKIVPEHOVABL-LBPRGKRZSA-N 1 0 349.309 2.087 20 5 EEBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000308646635 466499365 /nfs/dbraw/zinc/49/93/65/466499365.db2.gz GOKCLMQOKBWHAH-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO CC(=O)c1ccc(N2CCC(CO)([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000408525966 466679008 /nfs/dbraw/zinc/67/90/08/466679008.db2.gz GPAWVWAPNKJXKB-UHFFFAOYSA-N 1 0 335.404 2.127 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415449921 466682670 /nfs/dbraw/zinc/68/26/70/466682670.db2.gz VZIIHKKBTDGXJG-QMMMGPOBSA-N 1 0 332.282 2.426 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000415448449 466683015 /nfs/dbraw/zinc/68/30/15/466683015.db2.gz UYKNAPRFEFTPFB-DRZSPHRISA-N 1 0 334.376 2.195 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423256356 466704577 /nfs/dbraw/zinc/70/45/77/466704577.db2.gz BPXIPQAHZNYPBV-WMLDXEAASA-N 1 0 343.431 2.397 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000374796348 466746428 /nfs/dbraw/zinc/74/64/28/466746428.db2.gz UXNKYPNARQWONI-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1C ZINC000423604812 466782729 /nfs/dbraw/zinc/78/27/29/466782729.db2.gz HFKHZOKOGIRMDN-OAHLLOKOSA-N 1 0 335.404 2.420 20 5 EEBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423966316 466930420 /nfs/dbraw/zinc/93/04/20/466930420.db2.gz YWESEFMZCYVQGQ-CYBMUJFWSA-N 1 0 341.795 2.213 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000373821139 466931432 /nfs/dbraw/zinc/93/14/32/466931432.db2.gz APILJCUBLOSYNW-CQSZACIVSA-N 1 0 330.344 2.369 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424010657 466950535 /nfs/dbraw/zinc/95/05/35/466950535.db2.gz YCAYKCQFRZAYFF-QGZVFWFLSA-N 1 0 341.367 2.147 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424042681 466961924 /nfs/dbraw/zinc/96/19/24/466961924.db2.gz DDYJRHJZSFPAPN-JFGNBEQYSA-N 1 0 341.795 2.272 20 5 EEBDRO C[C@H]1CC2(CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424230276 467009183 /nfs/dbraw/zinc/00/91/83/467009183.db2.gz DYVNZRBAKTVAFF-AWEZNQCLSA-N 1 0 346.431 2.022 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000417997901 467016790 /nfs/dbraw/zinc/01/67/90/467016790.db2.gz UQLDXGZXIYWWHW-QWRGUYRKSA-N 1 0 340.811 2.183 20 5 EEBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309105 467038682 /nfs/dbraw/zinc/03/86/82/467038682.db2.gz IHDOQMNNHBKJBF-HIFRSBDPSA-N 1 0 336.411 2.196 20 5 EEBDRO Cc1c(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000418075683 467039836 /nfs/dbraw/zinc/03/98/36/467039836.db2.gz FFZXCRNBTXNRLM-MRXNPFEDSA-N 1 0 346.431 2.434 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087564 467041906 /nfs/dbraw/zinc/04/19/06/467041906.db2.gz HOAHTMJARZRLQV-VIFPVBQESA-N 1 0 348.325 2.268 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418380352 467102886 /nfs/dbraw/zinc/10/28/86/467102886.db2.gz HBJWALDOERNOFL-UKRRQHHQSA-N 1 0 334.420 2.339 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418408756 467106804 /nfs/dbraw/zinc/10/68/04/467106804.db2.gz MXTWZHJKQNQLOB-SWLSCSKDSA-N 1 0 348.403 2.016 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418689682 467146355 /nfs/dbraw/zinc/14/63/55/467146355.db2.gz FZBONNUERSCEBV-LBPRGKRZSA-N 1 0 336.392 2.016 20 5 EEBDRO NC(=O)C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000377850591 467153057 /nfs/dbraw/zinc/15/30/57/467153057.db2.gz FVMIBLCQHHISIU-LLVKDONJSA-N 1 0 346.412 2.416 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000427613198 467167001 /nfs/dbraw/zinc/16/70/01/467167001.db2.gz BRFUHOYPHKLTGK-ZDUSSCGKSA-N 1 0 337.424 2.052 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000427962992 467188942 /nfs/dbraw/zinc/18/89/42/467188942.db2.gz HFLPUBGVYOYTGW-DVOMOZLQSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420295714 467341748 /nfs/dbraw/zinc/34/17/48/467341748.db2.gz VZPKBVLOCNVJMH-GHMZBOCLSA-N 1 0 340.811 2.246 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433804200 467354360 /nfs/dbraw/zinc/35/43/60/467354360.db2.gz XVPMDAHUVRWPDT-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343806 467370370 /nfs/dbraw/zinc/37/03/70/467370370.db2.gz RJRUHCHVJYPBFQ-INIZCTEOSA-N 1 0 346.431 2.306 20 5 EEBDRO CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000453289762 467477829 /nfs/dbraw/zinc/47/78/29/467477829.db2.gz MOIDYBFWYYYXGH-VXGBXAGGSA-N 1 0 333.396 2.306 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405351800 467481111 /nfs/dbraw/zinc/48/11/11/467481111.db2.gz OPTUBURCHNYOQF-RISCZKNCSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]Cc2ccccc21 ZINC000430955000 467481925 /nfs/dbraw/zinc/48/19/25/467481925.db2.gz GZLFFWNDUZAGKD-UHFFFAOYSA-N 1 0 340.383 2.452 20 5 EEBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431674651 467532899 /nfs/dbraw/zinc/53/28/99/467532899.db2.gz FHKXSUXIOOLLLJ-CYBMUJFWSA-N 1 0 332.404 2.366 20 5 EEBDRO CNc1nc(C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000454656759 467607943 /nfs/dbraw/zinc/60/79/43/467607943.db2.gz DUHLVJJBVNVKAX-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448978799 467610300 /nfs/dbraw/zinc/61/03/00/467610300.db2.gz YWUAAVBZHZRKAR-SNVBAGLBSA-N 1 0 327.356 2.203 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449204106 467623358 /nfs/dbraw/zinc/62/33/58/467623358.db2.gz MBEOBUYCOMLWPS-CABCVRRESA-N 1 0 346.431 2.245 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000449206675 467623587 /nfs/dbraw/zinc/62/35/87/467623587.db2.gz AXFYZEVCOYJOSQ-ZDUSSCGKSA-N 1 0 340.445 2.330 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000457081383 467748362 /nfs/dbraw/zinc/74/83/62/467748362.db2.gz CUTQWDIDNXTDMR-AWEZNQCLSA-N 1 0 335.404 2.467 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000530668365 468000677 /nfs/dbraw/zinc/00/06/77/468000677.db2.gz MCFJQAGZZIUZLJ-UHFFFAOYSA-N 1 0 334.420 2.369 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494281783 468042293 /nfs/dbraw/zinc/04/22/93/468042293.db2.gz ICTGAGGONQWRMW-BZNIZROVSA-N 1 0 337.376 2.089 20 5 EEBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488989919 468115519 /nfs/dbraw/zinc/11/55/19/468115519.db2.gz FQFFBQWHLPAZIG-GFCCVEGCSA-N 1 0 329.404 2.392 20 5 EEBDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000567688260 468184226 /nfs/dbraw/zinc/18/42/26/468184226.db2.gz MGBVCSRGJSNNRJ-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691980 468185006 /nfs/dbraw/zinc/18/50/06/468185006.db2.gz LGCGDKABPFZTLD-CABCVRRESA-N 1 0 346.383 2.392 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590403779 468247125 /nfs/dbraw/zinc/24/71/25/468247125.db2.gz NVMBGNWAWOBJHZ-NHYWBVRUSA-N 1 0 332.404 2.334 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000590402364 468247160 /nfs/dbraw/zinc/24/71/60/468247160.db2.gz CWDBJFKQDYGFHB-SMDDNHRTSA-N 1 0 328.372 2.308 20 5 EEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520564893 468257683 /nfs/dbraw/zinc/25/76/83/468257683.db2.gz JIYYGZDGONDKSB-INIZCTEOSA-N 1 0 335.404 2.388 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594201016 468510254 /nfs/dbraw/zinc/51/02/54/468510254.db2.gz MOTKSTSFMQSKMI-ZBFHGGJFSA-N 1 0 333.388 2.350 20 5 EEBDRO CC(C)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000591742255 468513455 /nfs/dbraw/zinc/51/34/55/468513455.db2.gz MRWTXQHKJXRNPM-GFCCVEGCSA-N 1 0 335.360 2.236 20 5 EEBDRO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597587777 468608850 /nfs/dbraw/zinc/60/88/50/468608850.db2.gz XMSPTEOUTMITRX-JKSUJKDBSA-N 1 0 329.400 2.443 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000600716211 468631427 /nfs/dbraw/zinc/63/14/27/468631427.db2.gz XIOOEOPNVIWANC-INIZCTEOSA-N 1 0 334.420 2.162 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2COCCN2)s1 ZINC000600771851 468653119 /nfs/dbraw/zinc/65/31/19/468653119.db2.gz BPWOFWNXBBGCBE-GFCCVEGCSA-N 1 0 333.413 2.401 20 5 EEBDRO C[NH+](C)Cc1cccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000600849939 468669998 /nfs/dbraw/zinc/66/99/98/468669998.db2.gz RBHOLWJTJXOFBB-UHFFFAOYSA-N 1 0 328.372 2.367 20 5 EEBDRO CCOc1cc(C(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000597994662 468734094 /nfs/dbraw/zinc/73/40/94/468734094.db2.gz CQMCQJJVWOGZNE-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)CC1CC1 ZINC000595088963 468756110 /nfs/dbraw/zinc/75/61/10/468756110.db2.gz MUJSTMOWOYXZDF-TZMCWYRMSA-N 1 0 335.404 2.310 20 5 EEBDRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000601240734 468794269 /nfs/dbraw/zinc/79/42/69/468794269.db2.gz PFZVYWOOACEJJB-HNNXBMFYSA-N 1 0 342.399 2.246 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1CCC[NH3+] ZINC000595257884 468795753 /nfs/dbraw/zinc/79/57/53/468795753.db2.gz BJOIZVJAJGYFDK-DGCLKSJQSA-N 1 0 349.387 2.303 20 5 EEBDRO C[NH+](C)CCn1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000601289996 468812049 /nfs/dbraw/zinc/81/20/49/468812049.db2.gz YSBVYTAJUFYTCF-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO CC(C)O[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053202 468852164 /nfs/dbraw/zinc/85/21/64/468852164.db2.gz QENYCUQXQWEFGN-DOTOQJQBSA-N 1 0 338.404 2.224 20 5 EEBDRO CO[C@H]([C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602681189 469007487 /nfs/dbraw/zinc/00/74/87/469007487.db2.gz MPXOBYANIWMVAL-SJKOYZFVSA-N 1 0 334.420 2.362 20 5 EEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)CN1CCOCC1 ZINC000602693124 469015433 /nfs/dbraw/zinc/01/54/33/469015433.db2.gz BAXNTRPXBYDZEE-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000610615791 469018136 /nfs/dbraw/zinc/01/81/36/469018136.db2.gz XAUIHJBIBNTAPQ-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595810022 469024094 /nfs/dbraw/zinc/02/40/94/469024094.db2.gz VSCYAIQHMAGEQH-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000593577664 469045589 /nfs/dbraw/zinc/04/55/89/469045589.db2.gz GCVZWUZYKFOREE-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO COc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000610782680 469069996 /nfs/dbraw/zinc/06/99/96/469069996.db2.gz JBLVAJMILGWSQO-UHFFFAOYSA-N 1 0 334.376 2.249 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC[C@H](O)C2)o1 ZINC000599018139 469089494 /nfs/dbraw/zinc/08/94/94/469089494.db2.gz FGOMXZXDANDQLJ-ZDUSSCGKSA-N 1 0 331.372 2.011 20 5 EEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000573560486 469162348 /nfs/dbraw/zinc/16/23/48/469162348.db2.gz IWTCTAGGOPCBAT-RISCZKNCSA-N 1 0 343.387 2.831 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596140225 469173651 /nfs/dbraw/zinc/17/36/51/469173651.db2.gz PJNPOTZJYBGMII-CQSZACIVSA-N 1 0 327.388 2.283 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602140297 469212259 /nfs/dbraw/zinc/21/22/59/469212259.db2.gz GWWLULUIMNMYDF-UHFFFAOYSA-N 1 0 325.796 2.249 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000611336910 469230230 /nfs/dbraw/zinc/23/02/30/469230230.db2.gz DYGNFFOAFUCVJV-OGHNNQOOSA-N 1 0 337.420 2.363 20 5 EEBDRO Cc1cncn1CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000599543481 469287857 /nfs/dbraw/zinc/28/78/57/469287857.db2.gz QALBWPFSNRTIBM-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599605240 469306737 /nfs/dbraw/zinc/30/67/37/469306737.db2.gz WUXRNVOSNAPAKT-AWEZNQCLSA-N 1 0 336.392 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccccc3O)CC2)cn1 ZINC000602526392 469349667 /nfs/dbraw/zinc/34/96/67/469349667.db2.gz KLCVOEVNGRVGHG-UHFFFAOYSA-N 1 0 342.399 2.497 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602541672 469354860 /nfs/dbraw/zinc/35/48/60/469354860.db2.gz QQFKJSKIUZNYRD-KOLCDFICSA-N 1 0 331.294 2.194 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000602542483 469354861 /nfs/dbraw/zinc/35/48/61/469354861.db2.gz YKNLQBPNIRTBGF-YPMHNXCESA-N 1 0 345.321 2.123 20 5 EEBDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000602553515 469358870 /nfs/dbraw/zinc/35/88/70/469358870.db2.gz KRRVPYOWTBCBKH-TZMCWYRMSA-N 1 0 332.404 2.065 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC12CCC[NH+]1CCC2 ZINC000619574088 469642114 /nfs/dbraw/zinc/64/21/14/469642114.db2.gz NXINYPZARFXLRD-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619578442 469644248 /nfs/dbraw/zinc/64/42/48/469644248.db2.gz IDECMKQOCOEZMI-LLVKDONJSA-N 1 0 331.376 2.027 20 5 EEBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCOC1 ZINC000609767147 469960469 /nfs/dbraw/zinc/96/04/69/469960469.db2.gz AMWKUPATAIVHFX-CYBMUJFWSA-N 1 0 349.387 2.251 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609920456 469970553 /nfs/dbraw/zinc/97/05/53/469970553.db2.gz NFKWNGPJJCMAPG-HNNXBMFYSA-N 1 0 332.404 2.221 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000610306016 470002515 /nfs/dbraw/zinc/00/25/15/470002515.db2.gz RWDKPQYTKHHZAT-OAHLLOKOSA-N 1 0 349.431 2.336 20 5 EEBDRO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610404062 470011648 /nfs/dbraw/zinc/01/16/48/470011648.db2.gz QAVIBKBGWXHGSA-ZDUSSCGKSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129389610 533766082 /nfs/dbraw/zinc/76/60/82/533766082.db2.gz MZFMEPAZXHNRFU-VXGBXAGGSA-N 1 0 339.367 2.298 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158745752 534006285 /nfs/dbraw/zinc/00/62/85/534006285.db2.gz QPZGLYWHLSIRQY-MLGOLLRUSA-N 1 0 335.429 2.287 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000178818884 534288629 /nfs/dbraw/zinc/28/86/29/534288629.db2.gz NMCRUFOMMIYFHU-CYBMUJFWSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCN1CCC(O)CC1)C1CC1 ZINC000178520541 534887951 /nfs/dbraw/zinc/88/79/51/534887951.db2.gz ADPXUJOZPNHXKC-SFHVURJKSA-N 1 0 347.459 2.352 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422813347 536467346 /nfs/dbraw/zinc/46/73/46/536467346.db2.gz XYEUJOAODMHZHJ-SNVBAGLBSA-N 1 0 343.836 2.408 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000129499934 528034808 /nfs/dbraw/zinc/03/48/08/528034808.db2.gz NXCKAMUOJAEDGZ-CQSZACIVSA-N 1 0 338.408 2.382 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000187033846 528278809 /nfs/dbraw/zinc/27/88/09/528278809.db2.gz ZUNZWNCUPNBOHH-CYBMUJFWSA-N 1 0 348.359 2.101 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000411077424 529139540 /nfs/dbraw/zinc/13/95/40/529139540.db2.gz UCALJGVHCLVULY-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173714696 529143172 /nfs/dbraw/zinc/14/31/72/529143172.db2.gz YIIWYMWNEIELEH-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451771904 535543269 /nfs/dbraw/zinc/54/32/69/535543269.db2.gz JCMNYJGVKAECHB-CABCVRRESA-N 1 0 349.387 2.245 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000266362458 535753371 /nfs/dbraw/zinc/75/33/71/535753371.db2.gz FHWBWYKDWGYFDZ-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO CNc1nc(C(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000456023569 536422989 /nfs/dbraw/zinc/42/29/89/536422989.db2.gz UEQANVGPHZXRQB-UHFFFAOYSA-N 1 0 349.435 2.226 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000733165326 577206160 /nfs/dbraw/zinc/20/61/60/577206160.db2.gz BUPILZMGWURCSF-INIZCTEOSA-N 1 0 336.436 2.489 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC2)CC1 ZINC000733302294 577221243 /nfs/dbraw/zinc/22/12/43/577221243.db2.gz NIKDSLCCXZXQGK-UHFFFAOYSA-N 1 0 344.415 2.162 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000771815691 577232340 /nfs/dbraw/zinc/23/23/40/577232340.db2.gz CEEHEFOHTAIYLJ-NSHDSACASA-N 1 0 346.330 2.108 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000776587836 577463431 /nfs/dbraw/zinc/46/34/31/577463431.db2.gz PCDYTDUDCOQQNI-GOSISDBHSA-N 1 0 328.368 2.435 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000776587453 577463457 /nfs/dbraw/zinc/46/34/57/577463457.db2.gz HEPYJQWJFIGWKN-CRAIPNDOSA-N 1 0 333.432 2.436 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000776591262 577463563 /nfs/dbraw/zinc/46/35/63/577463563.db2.gz INNCEOCLHWTCKL-NUJGCVRESA-N 1 0 349.431 2.350 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C ZINC000766557179 577521577 /nfs/dbraw/zinc/52/15/77/577521577.db2.gz SZLBFHAQHNSPHZ-STQMWFEESA-N 1 0 334.420 2.216 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000770408357 577595586 /nfs/dbraw/zinc/59/55/86/577595586.db2.gz VNGHPDHLSMVEBE-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO C[NH+]1CCC(CNC(=S)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000760465601 577663303 /nfs/dbraw/zinc/66/33/03/577663303.db2.gz JSBZNPKNDXBRMP-UHFFFAOYSA-N 1 0 326.397 2.362 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000751941955 577762867 /nfs/dbraw/zinc/76/28/67/577762867.db2.gz OTTFKJLHHNMYJD-VXGBXAGGSA-N 1 0 332.360 2.051 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754209011 577802428 /nfs/dbraw/zinc/80/24/28/577802428.db2.gz IVPCVCDSQXGVIK-LBPRGKRZSA-N 1 0 327.768 2.201 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826282877 608554039 /nfs/dbraw/zinc/55/40/39/608554039.db2.gz DVWNPUAUUVVHQE-LLVKDONJSA-N 1 0 339.359 2.329 20 5 EEBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000890880779 675694169 /nfs/dbraw/zinc/69/41/69/675694169.db2.gz GRJBNTASGXUSFW-UHFFFAOYSA-N 1 0 341.383 2.402 20 5 EEBDRO CCc1ocnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021919002 676548901 /nfs/dbraw/zinc/54/89/01/676548901.db2.gz JYPPCGUENAHQHP-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)ns1 ZINC001022013357 676583641 /nfs/dbraw/zinc/58/36/41/676583641.db2.gz JKLFMYYQMBFRBU-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000892187013 678228441 /nfs/dbraw/zinc/22/84/41/678228441.db2.gz HBRMQUCFLONPCZ-RBSFLKMASA-N 1 0 332.404 2.091 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000103119343 682331483 /nfs/dbraw/zinc/33/14/83/682331483.db2.gz PGYLZFAEWYKBMZ-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO CCc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001020094073 683541916 /nfs/dbraw/zinc/54/19/16/683541916.db2.gz XRDJQIBUNUIXRD-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000128540568 693766807 /nfs/dbraw/zinc/76/68/07/693766807.db2.gz SLTVHRZPORFHKP-HUUCEWRRSA-N 1 0 346.431 2.116 20 5 EEBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914850714 683990090 /nfs/dbraw/zinc/99/00/90/683990090.db2.gz QKNUOMMVZMSRNY-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EEBDRO CCCSC[C@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000895947424 684780694 /nfs/dbraw/zinc/78/06/94/684780694.db2.gz DTACORDETVRJLO-NILFDRSVSA-N 1 0 328.434 2.110 20 5 EEBDRO CC1(C)CC[N@H+](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000898034968 691857393 /nfs/dbraw/zinc/85/73/93/691857393.db2.gz DWLOEAZNJRVQPT-UHFFFAOYSA-N 1 0 335.404 2.188 20 5 EEBDRO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001112195445 1186745443 /nfs/dbraw/zinc/74/54/43/1186745443.db2.gz BHQWMCKAJAHREM-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005377300 1195330083 /nfs/dbraw/zinc/33/00/83/1195330083.db2.gz AHNQWAISUMCBFM-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO COCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001128849806 1195829215 /nfs/dbraw/zinc/82/92/15/1195829215.db2.gz JJPDCHAOQBNDER-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000872062216 1198038106 /nfs/dbraw/zinc/03/81/06/1198038106.db2.gz LCLUSRSLIJJIFY-NHYWBVRUSA-N 1 0 325.434 2.034 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000865588759 1198289279 /nfs/dbraw/zinc/28/92/79/1198289279.db2.gz JKTJCJIOZHFLJS-AWEZNQCLSA-N 1 0 335.379 2.363 20 5 EEBDRO COc1ccc(CC(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810846799 1199776589 /nfs/dbraw/zinc/77/65/89/1199776589.db2.gz KAVAIZFVAYQAEA-ZIAGYGMSSA-N 1 0 334.372 2.316 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245893 1199887412 /nfs/dbraw/zinc/88/74/12/1199887412.db2.gz PRWOLKGJZMYFJR-BTTYYORXSA-N 1 0 333.388 2.011 20 5 EEBDRO CC(C)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877929517 1200168589 /nfs/dbraw/zinc/16/85/89/1200168589.db2.gz GGSVBNGISZAXAK-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO COc1ccccc1OCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000877984701 1200199911 /nfs/dbraw/zinc/19/99/11/1200199911.db2.gz LZGPCNRUIJPZAK-UHFFFAOYSA-N 1 0 334.376 2.119 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1csc(C2CC[NH2+]CC2)n1 ZINC000870867293 1200920951 /nfs/dbraw/zinc/92/09/51/1200920951.db2.gz BRWIZSIJJKINPM-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000812766402 1200921329 /nfs/dbraw/zinc/92/13/29/1200921329.db2.gz GHWFUXODSIWPGH-UHFFFAOYSA-N 1 0 325.319 2.231 20 5 EEBDRO CC(C)CC(=O)N1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879761100 1201245044 /nfs/dbraw/zinc/24/50/44/1201245044.db2.gz VFHGOBFUAHGEBV-QGZVFWFLSA-N 1 0 349.431 2.209 20 5 EEBDRO CCc1ccc(C[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000880246264 1201434085 /nfs/dbraw/zinc/43/40/85/1201434085.db2.gz WJQISXXKEOFPMD-UHFFFAOYSA-N 1 0 343.431 2.172 20 5 EEBDRO CN1CC[NH+](C2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866214077 1201467835 /nfs/dbraw/zinc/46/78/35/1201467835.db2.gz HTXLQKSRYXGMDX-UHFFFAOYSA-N 1 0 338.839 2.464 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000866286462 1201484053 /nfs/dbraw/zinc/48/40/53/1201484053.db2.gz XLUBQCHLEVRHAF-WDEREUQCSA-N 1 0 332.397 2.078 20 5 EEBDRO O=[N+]([O-])c1c(F)nccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000881868379 1201778827 /nfs/dbraw/zinc/77/88/27/1201778827.db2.gz CGBCXIIZDPMART-UHFFFAOYSA-N 1 0 338.383 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000131336985 1202036898 /nfs/dbraw/zinc/03/68/98/1202036898.db2.gz CKNNTJCSWMBVGO-CQSZACIVSA-N 1 0 329.404 2.320 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000886240865 1202483741 /nfs/dbraw/zinc/48/37/41/1202483741.db2.gz GWZJXKIMIUBSAX-HZPDHXFCSA-N 1 0 341.367 2.378 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887132899 1204213131 /nfs/dbraw/zinc/21/31/31/1204213131.db2.gz PMZRSBZVUTXVOR-RDTXWAMCSA-N 1 0 342.399 2.234 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887134403 1204213780 /nfs/dbraw/zinc/21/37/80/1204213780.db2.gz JDQMCCQAXKJONH-KSSFIOAISA-N 1 0 342.399 2.234 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095435328 1205747795 /nfs/dbraw/zinc/74/77/95/1205747795.db2.gz FECMTLJAJJMQAW-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000011381004 1205753303 /nfs/dbraw/zinc/75/33/03/1205753303.db2.gz PLZBDGIGKWEENW-PHIMTYICSA-N 1 0 349.391 2.431 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095605633 1205889056 /nfs/dbraw/zinc/88/90/56/1205889056.db2.gz VDRIFENFDBRRQD-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001095721653 1205924764 /nfs/dbraw/zinc/92/47/64/1205924764.db2.gz RYZYWFQZYLNVGA-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000931045423 1206602572 /nfs/dbraw/zinc/60/25/72/1206602572.db2.gz PWHKMFKYWWHYDW-QMTHXVAHSA-N 1 0 340.811 2.211 20 5 EEBDRO COc1ccc(CN2CCC[C@@H]2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000932440001 1207606696 /nfs/dbraw/zinc/60/66/96/1207606696.db2.gz PYAAFAXIAWIMHK-CYBMUJFWSA-N 1 0 335.404 2.483 20 5 EEBDRO CC1(C(=O)NCC[NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001111323790 1210389546 /nfs/dbraw/zinc/38/95/46/1210389546.db2.gz XMADMVZSOUVAMS-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000246398028 1212445812 /nfs/dbraw/zinc/44/58/12/1212445812.db2.gz PURXPRQMKWLMFV-HOCLYGCPSA-N 1 0 333.436 2.314 20 5 EEBDRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420403314 1217546090 /nfs/dbraw/zinc/54/60/90/1217546090.db2.gz NDKXCRSNTGGEKH-HNNXBMFYSA-N 1 0 338.795 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420406059 1217547006 /nfs/dbraw/zinc/54/70/06/1217547006.db2.gz QJZATCPKIOGCBE-QGZVFWFLSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n1C ZINC001019987254 1229429973 /nfs/dbraw/zinc/42/99/73/1229429973.db2.gz UAENWMRFQUXBPI-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119760915 1229594576 /nfs/dbraw/zinc/59/45/76/1229594576.db2.gz HLKMOEJWADQNCA-NSHDSACASA-N 1 0 347.462 2.199 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@@H]2C2OCCO2)c1 ZINC000902624434 1238070626 /nfs/dbraw/zinc/07/06/26/1238070626.db2.gz JWPPBMVUUPIMOY-MRXNPFEDSA-N 1 0 344.371 2.253 20 5 EEBDRO CC1(C)CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001050325456 1243350761 /nfs/dbraw/zinc/35/07/61/1243350761.db2.gz FDQNCRKZLBTMGN-DTZQCDIJSA-N 1 0 337.464 2.352 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097054118 1243633126 /nfs/dbraw/zinc/63/31/26/1243633126.db2.gz KOJPCQHOKRWCLN-SHTZXODSSA-N 1 0 334.420 2.304 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097054468 1243633454 /nfs/dbraw/zinc/63/34/54/1243633454.db2.gz YHOMQJOBALVEBC-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571984 1278149361 /nfs/dbraw/zinc/14/93/61/1278149361.db2.gz RKKOOZZUZLZOJM-KOLCDFICSA-N 1 0 332.326 2.464 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000850584620 1277271115 /nfs/dbraw/zinc/27/11/15/1277271115.db2.gz ONYOKSIHQDRCRK-UHFFFAOYSA-N 1 0 341.433 2.102 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000852124518 1292000516 /nfs/dbraw/zinc/00/05/16/1292000516.db2.gz WUMNIJMZDIILNT-UHFFFAOYSA-N 1 0 339.411 2.306 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767707 1293911187 /nfs/dbraw/zinc/91/11/87/1293911187.db2.gz GKTJEUYIHJTLPU-SNVBAGLBSA-N 1 0 331.319 2.200 20 5 EEBDRO C[C@@H]1C[C@H](Oc2cccc(I)c2[N+](=O)[O-])C[NH2+]1 ZINC001218046745 1297556861 /nfs/dbraw/zinc/55/68/61/1297556861.db2.gz UZLIIIWCCIEXPB-SFYZADRCSA-N 1 0 348.140 2.329 20 5 EEBDRO CCCOCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222563887 1299686766 /nfs/dbraw/zinc/68/67/66/1299686766.db2.gz IBKIPLDUMRVQRR-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C12CCC[NH+](CCC1)C2 ZINC001102033350 1300171720 /nfs/dbraw/zinc/17/17/20/1300171720.db2.gz BFFBPZMTWUOQMQ-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO COC(=O)[C@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC001223641587 1300205817 /nfs/dbraw/zinc/20/58/17/1300205817.db2.gz BILXUGWMUVCHMW-LMOYCYGVSA-N 1 0 334.372 2.451 20 5 EEBDRO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102207580 1300565789 /nfs/dbraw/zinc/56/57/89/1300565789.db2.gz CVOWKQFOZCHBBQ-CALCHBBNSA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096897 1301685951 /nfs/dbraw/zinc/68/59/51/1301685951.db2.gz VKGUHXVMFUZKAO-GFCCVEGCSA-N 1 0 332.360 2.495 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ncc(Br)cc21 ZINC001227772725 1301961017 /nfs/dbraw/zinc/96/10/17/1301961017.db2.gz IHDWTTDWKBBKPY-SECBINFHSA-N 1 0 326.218 2.261 20 5 EEBDRO C[NH+](C)C1CCC(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)CC1 ZINC001228241442 1302170145 /nfs/dbraw/zinc/17/01/45/1302170145.db2.gz BLGOHYPTQDPMGU-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO COC(=O)c1cc(Br)cc(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001229582956 1302868030 /nfs/dbraw/zinc/86/80/30/1302868030.db2.gz KXTKVEUNHLMKIF-VIFPVBQESA-O 1 0 347.229 2.415 20 5 EEBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CCO ZINC000783713779 1304334667 /nfs/dbraw/zinc/33/46/67/1304334667.db2.gz JCTJLHSQDQXJTG-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784722010 1304534307 /nfs/dbraw/zinc/53/43/07/1304534307.db2.gz VHJSGBVZILKDHG-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO COC(=O)c1ccc(OC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000784813896 1304555021 /nfs/dbraw/zinc/55/50/21/1304555021.db2.gz YGSXJAFQZCZZDY-UHFFFAOYSA-N 1 0 348.355 2.161 20 5 EEBDRO COCCCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235338833 1305198662 /nfs/dbraw/zinc/19/86/62/1305198662.db2.gz OZKFQQUIFRDYNE-UHFFFAOYSA-N 1 0 337.420 2.350 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001116027343 1305850614 /nfs/dbraw/zinc/85/06/14/1305850614.db2.gz XGBBAMHLSXGVCD-ZIAGYGMSSA-N 1 0 335.404 2.353 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000838515557 1315172565 /nfs/dbraw/zinc/17/25/65/1315172565.db2.gz ZEVHCSSDVUDLFD-UHFFFAOYSA-N 1 0 328.800 2.388 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCCNC3)CC2)c(F)c1 ZINC001246357747 1310288477 /nfs/dbraw/zinc/28/84/77/1310288477.db2.gz LLGQXORZLZUYFO-GFCCVEGCSA-N 1 0 340.374 2.183 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]CCN4)n3)nc12 ZINC001247717693 1310696667 /nfs/dbraw/zinc/69/66/67/1310696667.db2.gz SOUAKZMXYZTKRV-AWEZNQCLSA-N 1 0 332.367 2.067 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccsn1 ZINC001160698394 1320239197 /nfs/dbraw/zinc/23/91/97/1320239197.db2.gz YZAYDZZCABLXLF-UHFFFAOYSA-N 1 0 326.403 2.023 20 5 EEBDRO [NH3+][C@@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000830708304 1314545820 /nfs/dbraw/zinc/54/58/20/1314545820.db2.gz OROJAZCBZFZYGA-INIZCTEOSA-N 1 0 333.388 2.092 20 5 EEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839676223 1315231128 /nfs/dbraw/zinc/23/11/28/1315231128.db2.gz WJBDUEVJVMMCPO-VXGBXAGGSA-N 1 0 339.367 2.155 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160645 1315492995 /nfs/dbraw/zinc/49/29/95/1315492995.db2.gz DADFPPHAKYLGOE-SSDOTTSWSA-N 1 0 331.170 2.216 20 5 EEBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)n1 ZINC000842670187 1315750744 /nfs/dbraw/zinc/75/07/44/1315750744.db2.gz PYKMYEHHTVHDAX-NSHDSACASA-N 1 0 340.343 2.298 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(F)cc1 ZINC000843076335 1315835719 /nfs/dbraw/zinc/83/57/19/1315835719.db2.gz YNROWRAKIMOPSE-MZPVMMEZSA-N 1 0 334.347 2.479 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)Cc1ccccc1 ZINC000843101819 1315841998 /nfs/dbraw/zinc/84/19/98/1315841998.db2.gz OUBPGSWGJWBHDI-VHSSKADRSA-N 1 0 330.384 2.210 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCO)Cc2ccccc2)cc1 ZINC000843110780 1315845372 /nfs/dbraw/zinc/84/53/72/1315845372.db2.gz APLPTNHHWVENMN-WMZOPIPTSA-N 1 0 330.384 2.212 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843399449 1315907888 /nfs/dbraw/zinc/90/78/88/1315907888.db2.gz QSJFFIKNPGHWIZ-MRXNPFEDSA-N 1 0 335.404 2.100 20 5 EEBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001150376430 1316247088 /nfs/dbraw/zinc/24/70/88/1316247088.db2.gz DHJRPSUKDIFKHY-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001150376543 1316247881 /nfs/dbraw/zinc/24/78/81/1316247881.db2.gz JKPVNQMZNVSLGP-UHFFFAOYSA-N 1 0 340.430 2.249 20 5 EEBDRO CN(C)c1ccccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001153414064 1316825646 /nfs/dbraw/zinc/82/56/46/1316825646.db2.gz JIOLRVQIXDIRJN-UHFFFAOYSA-N 1 0 348.428 2.242 20 5 EEBDRO CCCSCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155152143 1317475937 /nfs/dbraw/zinc/47/59/37/1317475937.db2.gz DGQTUDZTDIXTKY-UHFFFAOYSA-N 1 0 325.434 2.334 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC001155225945 1317509850 /nfs/dbraw/zinc/50/98/50/1317509850.db2.gz ZLYRKMQQOZJAID-LBPRGKRZSA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c2ccccc21 ZINC001155477955 1317614150 /nfs/dbraw/zinc/61/41/50/1317614150.db2.gz PHJZSVRGIHJPIM-LBPRGKRZSA-N 1 0 328.372 2.324 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1Cl ZINC001155616452 1317675753 /nfs/dbraw/zinc/67/57/53/1317675753.db2.gz DJQJISUARFAAFS-IINYFYTJSA-N 1 0 326.784 2.275 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCSCc2ccco2)nc1C1C[NH2+]C1 ZINC001156198271 1317915239 /nfs/dbraw/zinc/91/52/39/1317915239.db2.gz OJNFKIGXJSWAIX-UHFFFAOYSA-N 1 0 335.389 2.010 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC001156398347 1317995120 /nfs/dbraw/zinc/99/51/20/1317995120.db2.gz BBMOFWQKUBCDDY-UHFFFAOYSA-N 1 0 348.790 2.426 20 5 EEBDRO CC(=O)N1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476632 1318082427 /nfs/dbraw/zinc/08/24/27/1318082427.db2.gz UXIBNPILVGGRBQ-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254560535 1318121713 /nfs/dbraw/zinc/12/17/13/1318121713.db2.gz VCNVCCXIEYNPKU-ZFWWWQNUSA-N 1 0 348.399 2.037 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001254571375 1318125634 /nfs/dbraw/zinc/12/56/34/1318125634.db2.gz UBSXVCYTLCGTAQ-CYBMUJFWSA-N 1 0 334.420 2.261 20 5 EEBDRO O=c1ccc2c([nH]1)CC[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254572186 1318125770 /nfs/dbraw/zinc/12/57/70/1318125770.db2.gz JHVXAQXPHDLYLC-LSDHHAIUSA-N 1 0 325.368 2.310 20 5 EEBDRO CCOC(=O)c1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577213 1318127785 /nfs/dbraw/zinc/12/77/85/1318127785.db2.gz CZFKLHZNAGQNQQ-OAHLLOKOSA-N 1 0 341.367 2.424 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254579989 1318128651 /nfs/dbraw/zinc/12/86/51/1318128651.db2.gz YEZPKULYRGQTRG-MRXNPFEDSA-N 1 0 343.383 2.272 20 5 EEBDRO COC(=O)c1cccnc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578063 1318129009 /nfs/dbraw/zinc/12/90/09/1318129009.db2.gz IURLCDYSWKPRFT-CYBMUJFWSA-N 1 0 327.340 2.033 20 5 EEBDRO CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254598945 1318138176 /nfs/dbraw/zinc/13/81/76/1318138176.db2.gz ZMJKVONPZPXELK-IEBWSBKVSA-N 1 0 343.427 2.396 20 5 EEBDRO CC[NH+](CC)C[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606307 1318142950 /nfs/dbraw/zinc/14/29/50/1318142950.db2.gz GHEJXIRJLFBXNR-ROUUACIJSA-N 1 0 333.432 2.105 20 5 EEBDRO Cc1ccn(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157110663 1318415063 /nfs/dbraw/zinc/41/50/63/1318415063.db2.gz LGYMIPXKVCQFNL-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](O)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256093246 1318645908 /nfs/dbraw/zinc/64/59/08/1318645908.db2.gz IVMIXYUQIVOADJ-CJNGLKHVSA-N 1 0 349.431 2.417 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001157692744 1318801311 /nfs/dbraw/zinc/80/13/11/1318801311.db2.gz SFEXOJLLONNJOM-MCXNIAKKSA-N 1 0 345.447 2.300 20 5 EEBDRO O=[N+]([O-])c1c(NCCC2=CCCCC2)ncnc1N1CC[NH2+]CC1 ZINC001157949074 1318943269 /nfs/dbraw/zinc/94/32/69/1318943269.db2.gz XCDFLJBTUFFHTO-UHFFFAOYSA-N 1 0 332.408 2.097 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001158172527 1319058802 /nfs/dbraw/zinc/05/88/02/1319058802.db2.gz GYDPIWXAABJBMN-IUCAKERBSA-N 1 0 342.783 2.007 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001158359368 1319199911 /nfs/dbraw/zinc/19/99/11/1319199911.db2.gz KORGNRQWUWSVHU-UHFFFAOYSA-N 1 0 336.783 2.254 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ncn3c2C[NH2+]CCC3)c2ccccc21 ZINC001158359246 1319200130 /nfs/dbraw/zinc/20/01/30/1319200130.db2.gz GWWKDOFGFCQOQZ-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC[N@@H+]4CC[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001158435263 1319237793 /nfs/dbraw/zinc/23/77/93/1319237793.db2.gz XHHDQGHLOOURHO-AWEZNQCLSA-N 1 0 325.372 2.255 20 5 EEBDRO C[N@H+](C1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1)[C@H]1CCOC1 ZINC001158730936 1319405846 /nfs/dbraw/zinc/40/58/46/1319405846.db2.gz CQANCRNDKUHKAN-ZDUSSCGKSA-N 1 0 328.372 2.052 20 5 EEBDRO C[N@H+](C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1)[C@H]1CCOC1 ZINC001158737767 1319411052 /nfs/dbraw/zinc/41/10/52/1319411052.db2.gz VGXUBXWKTQJFAN-AWEZNQCLSA-N 1 0 328.372 2.052 20 5 EEBDRO COc1ncc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1[N+](=O)[O-] ZINC001159537916 1319867460 /nfs/dbraw/zinc/86/74/60/1319867460.db2.gz XMCBEDQUBBIKMM-UHFFFAOYSA-N 1 0 347.350 2.291 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(NCCCC[NH+](C)C)cc1OC ZINC001161730613 1320602763 /nfs/dbraw/zinc/60/27/63/1320602763.db2.gz MGYGPCYJKJZUEC-UHFFFAOYSA-N 1 0 325.365 2.144 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)n1 ZINC001162296559 1320812109 /nfs/dbraw/zinc/81/21/09/1320812109.db2.gz HLSZKVWFYCIYAA-UHFFFAOYSA-N 1 0 328.785 2.185 20 5 EEBDRO CCc1cncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001162622137 1320913894 /nfs/dbraw/zinc/91/38/94/1320913894.db2.gz GEWJKUOXZPVFPT-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)ccc1C(F)(F)F ZINC001163071539 1321028365 /nfs/dbraw/zinc/02/83/65/1321028365.db2.gz DLDWSOUOPDPUHS-GFCCVEGCSA-N 1 0 331.294 2.404 20 5 EEBDRO O=[N+]([O-])c1c(NCC[C@H]2CCOC23C[NH2+]C3)ccc2cnccc21 ZINC001163094550 1321033862 /nfs/dbraw/zinc/03/38/62/1321033862.db2.gz KYPJNOQTZIPEBZ-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)nc1Cl ZINC001163131286 1321046468 /nfs/dbraw/zinc/04/64/68/1321046468.db2.gz RSBPXLCSCJNAHJ-UHFFFAOYSA-N 1 0 349.822 2.498 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc(C(F)(F)F)c1 ZINC001163154422 1321053053 /nfs/dbraw/zinc/05/30/53/1321053053.db2.gz MDXSHCZREUBIMM-GWCFXTLKSA-N 1 0 331.294 2.262 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277794 1321086014 /nfs/dbraw/zinc/08/60/14/1321086014.db2.gz GRRSMAZVJRODHW-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCO[C@]3(CC[NH2+]C3)C1)CCCC2 ZINC001163308908 1321093911 /nfs/dbraw/zinc/09/39/11/1321093911.db2.gz FPQKCVHQFGJWIS-SUMWQHHRSA-N 1 0 332.404 2.192 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163363982 1321105749 /nfs/dbraw/zinc/10/57/49/1321105749.db2.gz BHDQCKCZVZEGRU-DGCLKSJQSA-N 1 0 336.392 2.307 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001163582416 1321163415 /nfs/dbraw/zinc/16/34/15/1321163415.db2.gz NNMZUEUDLWQOJG-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO COc1cc(NCC2([NH+](C)C)CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC001164213413 1321319860 /nfs/dbraw/zinc/31/98/60/1321319860.db2.gz VAAKKLRWDBXNGN-UHFFFAOYSA-N 1 0 336.436 2.350 20 5 EEBDRO [NH3+][C@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001164282313 1321338415 /nfs/dbraw/zinc/33/84/15/1321338415.db2.gz WBPZXBZKELQRNS-VIFPVBQESA-N 1 0 337.177 2.443 20 5 EEBDRO CN(C)/C=C/c1cc(N2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001165091438 1321453050 /nfs/dbraw/zinc/45/30/50/1321453050.db2.gz UKJCDHNIJNORFO-VOTSOKGWSA-N 1 0 333.436 2.443 20 5 EEBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165183915 1321468341 /nfs/dbraw/zinc/46/83/41/1321468341.db2.gz LAFMGBGZSIGRDH-MADCSZMMSA-N 1 0 332.191 2.080 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1ncc2c1CC[NH2+]C2 ZINC001165219840 1321475941 /nfs/dbraw/zinc/47/59/41/1321475941.db2.gz WWWIDKJCGYUUBH-UHFFFAOYSA-N 1 0 330.735 2.023 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165323281 1321500651 /nfs/dbraw/zinc/50/06/51/1321500651.db2.gz YODSMCXYODHCED-AWEZNQCLSA-N 1 0 348.403 2.135 20 5 EEBDRO Cc1nc(Cl)nc(N2CCCCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165337877 1321503395 /nfs/dbraw/zinc/50/33/95/1321503395.db2.gz WLADEBCGOIKESJ-UHFFFAOYSA-N 1 0 325.800 2.459 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]2CF)CC1 ZINC001165432925 1321525538 /nfs/dbraw/zinc/52/55/38/1321525538.db2.gz VFTKQCZFTHQCOS-CMPLNLGQSA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1c(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1C ZINC001166156588 1321665909 /nfs/dbraw/zinc/66/59/09/1321665909.db2.gz XGNSJICUSXQBRG-UHFFFAOYSA-N 1 0 336.417 2.213 20 5 EEBDRO Cc1cccc(CCN(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1 ZINC001166824580 1321794686 /nfs/dbraw/zinc/79/46/86/1321794686.db2.gz KHHHRRFTWVNWOV-UHFFFAOYSA-N 1 0 327.388 2.059 20 5 EEBDRO N=c1sc2c(n1-c1nc3ccccc3cc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166859967 1321803498 /nfs/dbraw/zinc/80/34/98/1321803498.db2.gz DXZAXCKLZJJVSZ-UHFFFAOYSA-N 1 0 327.369 2.120 20 5 EEBDRO CCOCC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001204356757 1322126582 /nfs/dbraw/zinc/12/65/82/1322126582.db2.gz QSUNCJKVVYQNCY-UHFFFAOYSA-N 1 0 341.433 2.021 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001262706234 1322354688 /nfs/dbraw/zinc/35/46/88/1322354688.db2.gz HKCRBSWPAHCZJB-ZDUSSCGKSA-N 1 0 346.431 2.408 20 5 EEBDRO CC(C)OCCC[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603352442 1350693372 /nfs/dbraw/zinc/69/33/72/1350693372.db2.gz WPYBXKAMGQRGAZ-UHFFFAOYSA-N 1 0 334.380 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)n1 ZINC001307237290 1331520900 /nfs/dbraw/zinc/52/09/00/1331520900.db2.gz XHBMQNCEHVRVQP-HNNXBMFYSA-N 1 0 330.363 2.458 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001320835728 1332962303 /nfs/dbraw/zinc/96/23/03/1332962303.db2.gz BOMSGQLOPNCPQT-IAGOWNOFSA-N 1 0 347.415 2.495 20 5 EEBDRO C[NH+]1CCN(Cc2cccc(CNc3ncc([N+](=O)[O-])s3)c2)CC1 ZINC001321230023 1333049817 /nfs/dbraw/zinc/04/98/17/1333049817.db2.gz FGTJXUINGLLGPB-UHFFFAOYSA-N 1 0 347.444 2.411 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609165866 1351872657 /nfs/dbraw/zinc/87/26/57/1351872657.db2.gz ZEPXOWLCUOIDDS-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO CC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC001329581425 1334678552 /nfs/dbraw/zinc/67/85/52/1334678552.db2.gz GVPCETKCRDBINK-UHFFFAOYSA-N 1 0 344.419 2.227 20 5 EEBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001330930353 1334929097 /nfs/dbraw/zinc/92/90/97/1334929097.db2.gz GYVMRXULVPTXFF-CYBMUJFWSA-N 1 0 347.396 2.452 20 5 EEBDRO [NH3+]Cc1ccccc1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001335307013 1336362215 /nfs/dbraw/zinc/36/22/15/1336362215.db2.gz BFPYHZDNXOAYLZ-IRXDYDNUSA-N 1 0 325.368 2.473 20 5 EEBDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001335460115 1336378641 /nfs/dbraw/zinc/37/86/41/1336378641.db2.gz LHUNDKBDWQKWOO-AWEZNQCLSA-N 1 0 344.433 2.019 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC001336800604 1336596902 /nfs/dbraw/zinc/59/69/02/1336596902.db2.gz HRQXTVZUVNTRKD-QZTJIDSGSA-N 1 0 328.368 2.052 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001337536714 1336712065 /nfs/dbraw/zinc/71/20/65/1336712065.db2.gz XARHRLDJPXVGPW-GFCCVEGCSA-N 1 0 328.372 2.357 20 5 EEBDRO C[NH+]1CCN(c2ccc(CCNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC001338315635 1336839136 /nfs/dbraw/zinc/83/91/36/1336839136.db2.gz LXSSAHXMHWSKBS-UHFFFAOYSA-N 1 0 341.415 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@]2(O)CCCc3ccccc32)cc1 ZINC001346212585 1337481171 /nfs/dbraw/zinc/48/11/71/1337481171.db2.gz AMDBADRKIRMDSM-RBUKOAKNSA-N 1 0 342.395 2.442 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001575693065 1343856996 /nfs/dbraw/zinc/85/69/96/1343856996.db2.gz KVIYOJWUMCUYPG-UHFFFAOYSA-N 1 0 349.370 2.200 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001576017095 1343946346 /nfs/dbraw/zinc/94/63/46/1343946346.db2.gz NXXHBLPOEQWQHS-MCIONIFRSA-N 1 0 334.420 2.467 20 5 EEBDRO C[C@H]([NH3+])C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001576104462 1343967122 /nfs/dbraw/zinc/96/71/22/1343967122.db2.gz ZGXVWMUWCBFWPC-AWEZNQCLSA-N 1 0 349.431 2.178 20 5 EEBDRO COc1cccc(C[C@H]([NH3+])C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001579272306 1344363706 /nfs/dbraw/zinc/36/37/06/1344363706.db2.gz IKQHZUINYDTJAM-INIZCTEOSA-N 1 0 343.383 2.098 20 5 EEBDRO COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001579272307 1344364013 /nfs/dbraw/zinc/36/40/13/1344364013.db2.gz IKQHZUINYDTJAM-MRXNPFEDSA-N 1 0 343.383 2.098 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1F ZINC001579642413 1344402483 /nfs/dbraw/zinc/40/24/83/1344402483.db2.gz FACQPBAEVNOCFK-BDAKNGLRSA-N 1 0 343.330 2.024 20 5 EEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]([NH3+])c1ccccc1 ZINC001579993366 1344445075 /nfs/dbraw/zinc/44/50/75/1344445075.db2.gz VIRZAATVQBREGT-SECBINFHSA-N 1 0 329.282 2.459 20 5 EEBDRO Nc1c(C(=O)NC2CCC([NH3+])CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001580431909 1344519625 /nfs/dbraw/zinc/51/96/25/1344519625.db2.gz YVDRQQBBWWMSRT-UHFFFAOYSA-N 1 0 328.372 2.330 20 5 EEBDRO CC1(C)CC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083446 1349143519 /nfs/dbraw/zinc/14/35/19/1349143519.db2.gz GTTDPLGAKGTONA-UHFFFAOYSA-N 1 0 345.407 2.496 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603904707 1350798715 /nfs/dbraw/zinc/79/87/15/1350798715.db2.gz AWIHORYKEOVJTJ-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO CCCN(CCC[NH+](C)C)c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001604205139 1350892658 /nfs/dbraw/zinc/89/26/58/1350892658.db2.gz XAUYTMGAGYPKNL-UHFFFAOYSA-N 1 0 339.425 2.005 20 5 EEBDRO [NH3+]C[C@]12CC[C@H]1CCN2c1ncc([N+](=O)[O-])cc1Br ZINC000900445175 1369923949 /nfs/dbraw/zinc/92/39/49/1369923949.db2.gz KXQFFQOWXCAKGI-QPUJVOFHSA-N 1 0 327.182 2.070 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909967 1372575531 /nfs/dbraw/zinc/57/55/31/1372575531.db2.gz BWKNMNBMSUOAEN-DETPVDSQSA-N 1 0 345.403 2.481 20 5 EEBDRO CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CC[NH2+]C1 ZINC001577492370 1403657728 /nfs/dbraw/zinc/65/77/28/1403657728.db2.gz QUEVIUQSRQUZTN-QMMMGPOBSA-N 1 0 344.774 2.184 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001100346924 1410550676 /nfs/dbraw/zinc/55/06/76/1410550676.db2.gz KBSXRTFRGNFKHZ-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727356 720351851 /nfs/dbraw/zinc/35/18/51/720351851.db2.gz SXFXWFJVZXKRQL-GJZGRUSLSA-N 1 0 343.362 2.377 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC001165037389 721908459 /nfs/dbraw/zinc/90/84/59/721908459.db2.gz GBUPNSKWSYKUEC-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167087178 757234092 /nfs/dbraw/zinc/23/40/92/757234092.db2.gz MBTZDVCZRRXYAZ-UHFFFAOYSA-N 1 0 342.330 2.265 20 5 EEBDRO NC(=O)[C@H]([NH3+])Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211591131 761016320 /nfs/dbraw/zinc/01/63/20/761016320.db2.gz JGSKKQFRNWJIGO-MRXNPFEDSA-N 1 0 332.363 2.398 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nc(C[NH3+])c3ccccc32)c1 ZINC001167697851 761858012 /nfs/dbraw/zinc/85/80/12/761858012.db2.gz FZIXFCZYTMYNEZ-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO C[NH+](C)CCNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001161663006 781353370 /nfs/dbraw/zinc/35/33/70/781353370.db2.gz DXHKANRMOXAMJK-UHFFFAOYSA-N 1 0 329.360 2.216 20 5 EEBDRO [NH3+]CCN(Cc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000809736526 783319600 /nfs/dbraw/zinc/31/96/00/783319600.db2.gz YOESDAJTJBIGJC-UHFFFAOYSA-N 1 0 329.356 2.331 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC000997770921 791039858 /nfs/dbraw/zinc/03/98/58/791039858.db2.gz BQUYOLYOEKRCMS-HZPDHXFCSA-N 1 0 335.448 2.060 20 5 EEBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001170859601 784622828 /nfs/dbraw/zinc/62/28/28/784622828.db2.gz SNTHTJJEOSENAC-INIZCTEOSA-N 1 0 332.360 2.038 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818563900 785294361 /nfs/dbraw/zinc/29/43/61/785294361.db2.gz VRZHQCKBHTWPHP-RKDXNWHRSA-N 1 0 329.759 2.126 20 5 EEBDRO CC(C)(C)SCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819009853 785362161 /nfs/dbraw/zinc/36/21/61/785362161.db2.gz TYBAKZQMZLEMCH-LBPRGKRZSA-N 1 0 328.434 2.456 20 5 EEBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819112624 785429994 /nfs/dbraw/zinc/42/99/94/785429994.db2.gz GHFOESORRUGSBA-NJZAAPMLSA-N 1 0 326.418 2.208 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000819170808 785444903 /nfs/dbraw/zinc/44/49/03/785444903.db2.gz ARILXNAHQBOVSB-CVEARBPZSA-N 1 0 344.367 2.448 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000820714540 786432933 /nfs/dbraw/zinc/43/29/33/786432933.db2.gz PVLRMCRGJKVPLV-CQSZACIVSA-N 1 0 337.420 2.298 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000842737859 786658100 /nfs/dbraw/zinc/65/81/00/786658100.db2.gz UMMHEFFKOWHQMW-UHFFFAOYSA-N 1 0 349.840 2.162 20 5 EEBDRO CC1CC[NH+](CC(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107300845 786765601 /nfs/dbraw/zinc/76/56/01/786765601.db2.gz YPDXNQJRUXSFEJ-IHWYPQMZSA-N 1 0 346.431 2.411 20 5 EEBDRO CN(CCCNc1cccc(F)c1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001109598071 805741181 /nfs/dbraw/zinc/74/11/81/805741181.db2.gz ILRXTHVPIFKLTI-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000911736214 787671759 /nfs/dbraw/zinc/67/17/59/787671759.db2.gz IGHGWMBTHODCCQ-GFCCVEGCSA-N 1 0 325.796 2.391 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000823974942 788005288 /nfs/dbraw/zinc/00/52/88/788005288.db2.gz XGOMQPDJSDDHAL-ZDUSSCGKSA-N 1 0 347.419 2.373 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000824726185 788289448 /nfs/dbraw/zinc/28/94/48/788289448.db2.gz IKAYBGXYQRZGDW-CABCVRRESA-N 1 0 349.412 2.109 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825129677 788448389 /nfs/dbraw/zinc/44/83/89/788448389.db2.gz ALPVIOFUXBFFAO-CPUCHLNUSA-N 1 0 349.431 2.112 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825384340 788601998 /nfs/dbraw/zinc/60/19/98/788601998.db2.gz KWKZFCZTVKZUEY-INIZCTEOSA-N 1 0 349.431 2.209 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825384341 788602359 /nfs/dbraw/zinc/60/23/59/788602359.db2.gz KWKZFCZTVKZUEY-MRXNPFEDSA-N 1 0 349.431 2.209 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825401152 788613873 /nfs/dbraw/zinc/61/38/73/788613873.db2.gz ZIVCOUZCBAMOKE-UMPJEAMMSA-N 1 0 349.431 2.111 20 5 EEBDRO C[NH+](C)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825510708 788660039 /nfs/dbraw/zinc/66/00/39/788660039.db2.gz FHLNPKBEAHIDJN-KRWDZBQOSA-N 1 0 343.383 2.223 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000844642517 789286648 /nfs/dbraw/zinc/28/66/48/789286648.db2.gz JIMKULUPNMMKCA-BBBLOLIVSA-N 1 0 327.331 2.426 20 5 EEBDRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000844888739 789432690 /nfs/dbraw/zinc/43/26/90/789432690.db2.gz IALHOKJGGBHTQB-HUUCEWRRSA-N 1 0 335.429 2.478 20 5 EEBDRO CCC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000171681517 791439425 /nfs/dbraw/zinc/43/94/25/791439425.db2.gz PQKCRWUVSLFTCG-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001094007565 795855668 /nfs/dbraw/zinc/85/56/68/795855668.db2.gz UGYQRTUDLMWCKY-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)C[N@H+](C)C(C)C ZINC001106779029 796521916 /nfs/dbraw/zinc/52/19/16/796521916.db2.gz RLWDKIICCYULHS-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@H]3C[C@H](CO)C[C@H]31)CC2 ZINC001172903918 797131037 /nfs/dbraw/zinc/13/10/37/797131037.db2.gz JPBWNKYBVUSKMW-ZQNRLITLSA-N 1 0 346.427 2.314 20 5 EEBDRO O=C1NCC[C@]12CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907707 797133231 /nfs/dbraw/zinc/13/32/31/797133231.db2.gz LMVCTBIRMGGHEI-LPHOPBHVSA-N 1 0 343.427 2.444 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCO3)CC2)c(F)c1 ZINC001173012718 797196254 /nfs/dbraw/zinc/19/62/54/797196254.db2.gz XFBQPMBTHVIUGV-GFCCVEGCSA-N 1 0 327.331 2.220 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1F ZINC001173180665 797278840 /nfs/dbraw/zinc/27/88/40/797278840.db2.gz YDBRGYNYOVWLAT-NWDGAFQWSA-N 1 0 325.384 2.357 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001173232367 797311985 /nfs/dbraw/zinc/31/19/85/797311985.db2.gz QSWIGCZSWQVXLZ-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001173238544 797324665 /nfs/dbraw/zinc/32/46/65/797324665.db2.gz VEDZVOPOPPXQSA-XJKSGUPXSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(OC(F)F)c1 ZINC000785802541 806605058 /nfs/dbraw/zinc/60/50/58/806605058.db2.gz VRROXYLROFBVSY-RYUDHWBXSA-N 1 0 343.330 2.471 20 5 EEBDRO Cc1ccnc(NC2(CNC(=O)CCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001110187659 798132357 /nfs/dbraw/zinc/13/23/57/798132357.db2.gz RVUNOXBOTLJCPR-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000786157398 806700169 /nfs/dbraw/zinc/70/01/69/806700169.db2.gz PHWNYFATPNZSNQ-CQSZACIVSA-N 1 0 338.404 2.129 20 5 EEBDRO CCOCC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177826557 799117241 /nfs/dbraw/zinc/11/72/41/799117241.db2.gz CQKWZVZUQCLLML-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO C/C=C(/C)C(=O)NCCCCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001178149259 799301058 /nfs/dbraw/zinc/30/10/58/799301058.db2.gz KMGCRKLDVBQINO-PQMHYQBVSA-N 1 0 337.424 2.061 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363192 802829814 /nfs/dbraw/zinc/82/98/14/802829814.db2.gz HBKVJLNYGMKQLE-CNVPUSNMSA-N 1 0 343.836 2.051 20 5 EEBDRO COc1c(F)cc(-n2cnc(C)c2CSCC[NH3+])cc1[N+](=O)[O-] ZINC001168790882 803341517 /nfs/dbraw/zinc/34/15/17/803341517.db2.gz XZLTZUYUYLFHSX-UHFFFAOYSA-N 1 0 340.380 2.429 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4cc(F)cc([N+](=O)[O-])c4n3)cc2C1 ZINC001168817176 803436623 /nfs/dbraw/zinc/43/66/23/803436623.db2.gz VRZCGSWFIDOCLF-GFCCVEGCSA-N 1 0 327.319 2.284 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168960243 803550063 /nfs/dbraw/zinc/55/00/63/803550063.db2.gz FIDZUFWAPQIWJT-PVAVHDDUSA-N 1 0 345.443 2.151 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)C1 ZINC001168969055 803553347 /nfs/dbraw/zinc/55/33/47/803553347.db2.gz BSGCGSIPQIHFIB-DZGCQCFKSA-N 1 0 335.404 2.174 20 5 EEBDRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967695 803553387 /nfs/dbraw/zinc/55/33/87/803553387.db2.gz SNNDZLPIZVFRQE-WMLDXEAASA-N 1 0 331.416 2.326 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC001168996052 803562608 /nfs/dbraw/zinc/56/26/08/803562608.db2.gz UNWOHRDCESHZHR-RDJZCZTQSA-N 1 0 333.432 2.392 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccncc1 ZINC001168998434 803563842 /nfs/dbraw/zinc/56/38/42/803563842.db2.gz NADLWUDOUCZBCQ-QSPRXWTASA-N 1 0 346.431 2.158 20 5 EEBDRO Cc1cccnc1C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998149 803563874 /nfs/dbraw/zinc/56/38/74/803563874.db2.gz ITWCRDOWLKCSLL-HZPDHXFCSA-N 1 0 333.432 2.473 20 5 EEBDRO COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001168990306 803573688 /nfs/dbraw/zinc/57/36/88/803573688.db2.gz BMHZQWMFRFRIHV-ZACQAIPSSA-N 1 0 333.432 2.305 20 5 EEBDRO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169039001 803581922 /nfs/dbraw/zinc/58/19/22/803581922.db2.gz MHLNMLRILFZQGP-WBVHZDCISA-N 1 0 331.416 2.198 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018708 803587226 /nfs/dbraw/zinc/58/72/26/803587226.db2.gz CDFKFSYNUWBQFN-AKHDSKFASA-N 1 0 344.459 2.281 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)C1 ZINC001169021703 803588414 /nfs/dbraw/zinc/58/84/14/803588414.db2.gz PQOJAFAECSEDHV-ZACQAIPSSA-N 1 0 348.447 2.187 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCn3cnc(COCC4CC4)c3C2)C1 ZINC001169024200 803589817 /nfs/dbraw/zinc/58/98/17/803589817.db2.gz QLHHBPKLUALOJL-JKSUJKDBSA-N 1 0 348.447 2.461 20 5 EEBDRO COCCC(C)(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001169850518 804121605 /nfs/dbraw/zinc/12/16/05/804121605.db2.gz XLGIDEUTNYPNTL-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000788965005 807776244 /nfs/dbraw/zinc/77/62/44/807776244.db2.gz FOMZLRNGLGWMEY-NSHDSACASA-N 1 0 333.344 2.326 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790910448 808992850 /nfs/dbraw/zinc/99/28/50/808992850.db2.gz APFSAULBJRWXKH-VHSXEESVSA-N 1 0 343.786 2.481 20 5 EEBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170327895 809892366 /nfs/dbraw/zinc/89/23/66/809892366.db2.gz SKJSFRLGSNKWAN-UBHSHLNASA-N 1 0 336.388 2.466 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329235 809893795 /nfs/dbraw/zinc/89/37/95/809893795.db2.gz YBHZRMSMMWFOAD-MLGOLLRUSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC001170351422 809919947 /nfs/dbraw/zinc/91/99/47/809919947.db2.gz BYRLOGVSWHKPDX-ZFWWWQNUSA-N 1 0 345.403 2.463 20 5 EEBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792869391 810038079 /nfs/dbraw/zinc/03/80/79/810038079.db2.gz BORHPPCZGHIWAR-CQSZACIVSA-N 1 0 325.321 2.324 20 5 EEBDRO CC(C)(C)c1ccc(NCCOCCOCC[NH3+])c([N+](=O)[O-])c1 ZINC001170511463 811963887 /nfs/dbraw/zinc/96/38/87/811963887.db2.gz VKAJNJMCKPHLRJ-UHFFFAOYSA-N 1 0 325.409 2.296 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+](C)CC23CCCC3)n1 ZINC001158409162 812987982 /nfs/dbraw/zinc/98/79/82/812987982.db2.gz VWCGGUXLRAMZSO-UHFFFAOYSA-N 1 0 325.800 2.411 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055757384 214341016 /nfs/dbraw/zinc/34/10/16/214341016.db2.gz ZQFXNNLMCIWZFI-RWMBFGLXSA-N 1 0 334.420 2.394 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174561328 231243225 /nfs/dbraw/zinc/24/32/25/231243225.db2.gz KYJDGXCPVITZNJ-OAHLLOKOSA-N 1 0 346.431 2.341 20 5 EEBDRO CNC(=O)CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000154995413 529853124 /nfs/dbraw/zinc/85/31/24/529853124.db2.gz NNEDQECMBBHAFB-LLVKDONJSA-N 1 0 347.375 2.164 20 5 EEBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420222973 530037826 /nfs/dbraw/zinc/03/78/26/530037826.db2.gz YUISGXOIFNGGJX-ONXXMXGDSA-N 1 0 329.360 2.364 20 5 EEBDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000065668087 214990970 /nfs/dbraw/zinc/99/09/70/214990970.db2.gz GVEXZHPBUMHKSP-MRXNPFEDSA-N 1 0 332.356 2.435 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000069045601 215355887 /nfs/dbraw/zinc/35/58/87/215355887.db2.gz DVNJVSLTSHQNMD-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000183473579 235098214 /nfs/dbraw/zinc/09/82/14/235098214.db2.gz ICSUYOGSBCUPEE-LBPRGKRZSA-N 1 0 327.768 2.201 20 5 EEBDRO CSc1cccc(C(=O)Nc2ccnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000411004515 238331122 /nfs/dbraw/zinc/33/11/22/238331122.db2.gz WJTTWNVBNRSMDA-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000131333482 223223954 /nfs/dbraw/zinc/22/39/54/223223954.db2.gz OEHYCGRDUSFWQL-AWEZNQCLSA-N 1 0 332.404 2.268 20 5 EEBDRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072719674 216298638 /nfs/dbraw/zinc/29/86/38/216298638.db2.gz JZIRVESMOHEWMJ-OAHLLOKOSA-N 1 0 346.431 2.341 20 5 EEBDRO O=C(CCN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000170743559 283782940 /nfs/dbraw/zinc/78/29/40/283782940.db2.gz RUWZXVRWPHMOOF-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263801057 283787771 /nfs/dbraw/zinc/78/77/71/283787771.db2.gz KTMHWCPZWDSEGE-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000423968583 240764342 /nfs/dbraw/zinc/76/43/42/240764342.db2.gz UXGWMJRTDLJFBH-INIZCTEOSA-N 1 0 343.387 2.028 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447971292 242346618 /nfs/dbraw/zinc/34/66/18/242346618.db2.gz JYVKWGZPOBPOKJ-DOTOQJQBSA-N 1 0 332.356 2.484 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1(C[NH3+])CCC1 ZINC000449678742 242598103 /nfs/dbraw/zinc/59/81/03/242598103.db2.gz QFMOLVRDCCPYKW-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597821 243171316 /nfs/dbraw/zinc/17/13/16/243171316.db2.gz DLUPKRYTQYNYTO-PZSREKOKSA-N 1 0 347.415 2.309 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456289021 244207253 /nfs/dbraw/zinc/20/72/53/244207253.db2.gz XBHDHPFBWGMHEM-AWEZNQCLSA-N 1 0 343.387 2.438 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000457381244 244529153 /nfs/dbraw/zinc/52/91/53/244529153.db2.gz QJOASUOZWFRJIK-RYUDHWBXSA-N 1 0 335.429 2.388 20 5 EEBDRO COCC1(C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459626227 245190009 /nfs/dbraw/zinc/19/00/09/245190009.db2.gz ZPWJKEYDHDLJGW-UHFFFAOYSA-N 1 0 330.388 2.464 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000081364146 217389252 /nfs/dbraw/zinc/38/92/52/217389252.db2.gz MRNWQQWCGRSNTK-LLVKDONJSA-N 1 0 338.383 2.120 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266561144 248360353 /nfs/dbraw/zinc/36/03/53/248360353.db2.gz NADLJHCNICHOAD-UHFFFAOYSA-N 1 0 336.388 2.485 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000095412114 218348998 /nfs/dbraw/zinc/34/89/98/218348998.db2.gz CKMSEPFQZKLPGN-OCCSQVGLSA-N 1 0 333.388 2.444 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117106986 221031151 /nfs/dbraw/zinc/03/11/51/221031151.db2.gz STJOWHMQVXSCOH-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000270453840 256137013 /nfs/dbraw/zinc/13/70/13/256137013.db2.gz LHRDMXWJCUQDLB-CQSZACIVSA-N 1 0 340.387 2.306 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272825959 256242400 /nfs/dbraw/zinc/24/24/00/256242400.db2.gz MAZWBOGXTPUJHQ-FZMZJTMJSA-N 1 0 334.376 2.161 20 5 EEBDRO Cc1c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273066687 256261954 /nfs/dbraw/zinc/26/19/54/256261954.db2.gz YYXPFJBXNMDFHU-LLVKDONJSA-N 1 0 348.359 2.192 20 5 EEBDRO CCOC(=O)CCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665239 292168229 /nfs/dbraw/zinc/16/82/29/292168229.db2.gz GATNLZRRIXAJHL-CYBMUJFWSA-N 1 0 336.392 2.209 20 5 EEBDRO CC1(C)CCCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000112709059 292228297 /nfs/dbraw/zinc/22/82/97/292228297.db2.gz BSTGUZZAPMTOBQ-AWEZNQCLSA-N 1 0 331.372 2.349 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173284991 152156203 /nfs/dbraw/zinc/15/62/03/152156203.db2.gz RCKXQVDEJGZERC-HNNXBMFYSA-N 1 0 347.415 2.354 20 5 EEBDRO [NH3+]CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000262972718 152348844 /nfs/dbraw/zinc/34/88/44/152348844.db2.gz LZHKGBKVOAFSIR-UHFFFAOYSA-N 1 0 346.456 2.400 20 5 EEBDRO CSc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000359493274 153398565 /nfs/dbraw/zinc/39/85/65/153398565.db2.gz MFELUTPYDGGYKJ-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000423638911 286440046 /nfs/dbraw/zinc/44/00/46/286440046.db2.gz BAKREASTAYSONC-CYBMUJFWSA-N 1 0 333.388 2.065 20 5 EEBDRO C[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000131302647 292385776 /nfs/dbraw/zinc/38/57/76/292385776.db2.gz KIRFHGXGBVHZMU-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH+](C)Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000073067701 159049662 /nfs/dbraw/zinc/04/96/62/159049662.db2.gz IJWVEEQDPHZKMZ-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000349939107 286808518 /nfs/dbraw/zinc/80/85/18/286808518.db2.gz RERXZGHBNKUGSJ-OLZOCXBDSA-N 1 0 334.420 2.298 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2c(c1)COCO2 ZINC000246938843 160301855 /nfs/dbraw/zinc/30/18/55/160301855.db2.gz WUIGSZDKKMSBGU-LRDDRELGSA-N 1 0 334.372 2.462 20 5 EEBDRO CC[NH+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000344450127 161228800 /nfs/dbraw/zinc/22/88/00/161228800.db2.gz LNXCRNFXZDEALG-KBPBESRZSA-N 1 0 335.404 2.223 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000345850180 161337212 /nfs/dbraw/zinc/33/72/12/161337212.db2.gz IEPRHBZCNFWRDV-OKILXGFUSA-N 1 0 336.436 2.421 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000346326225 161363342 /nfs/dbraw/zinc/36/33/42/161363342.db2.gz KDEVABHUHBRQRJ-WWGRRREGSA-N 1 0 334.420 2.384 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352498865 162159916 /nfs/dbraw/zinc/15/99/16/162159916.db2.gz ICCUUNMVQLSYME-CQSZACIVSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000352504856 162163324 /nfs/dbraw/zinc/16/33/24/162163324.db2.gz VMNIYIDMIBTJIQ-ZDUSSCGKSA-N 1 0 331.376 2.348 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352512120 162166186 /nfs/dbraw/zinc/16/61/86/162166186.db2.gz NNAFUDRERMIMDO-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352709887 162253661 /nfs/dbraw/zinc/25/36/61/162253661.db2.gz OKITWJFBGFSNDH-CYBMUJFWSA-N 1 0 341.795 2.327 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352926555 162348978 /nfs/dbraw/zinc/34/89/78/162348978.db2.gz VXDAVVCPNAOGDY-YIONKMFJSA-N 1 0 346.431 2.399 20 5 EEBDRO COc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000355269690 163129346 /nfs/dbraw/zinc/12/93/46/163129346.db2.gz CXGNAGCORGYEDT-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356288511 163394371 /nfs/dbraw/zinc/39/43/71/163394371.db2.gz KZCIATAJYOFFQG-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366721857 165843153 /nfs/dbraw/zinc/84/31/53/165843153.db2.gz JENWDSBFZWZTKC-OAHLLOKOSA-N 1 0 349.435 2.013 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000373811704 166962731 /nfs/dbraw/zinc/96/27/31/166962731.db2.gz FVKHJVCMHNSSEJ-RHSMWYFYSA-N 1 0 349.387 2.089 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000374035161 167007402 /nfs/dbraw/zinc/00/74/02/167007402.db2.gz QDRMISYWFVIXOM-HNNXBMFYSA-N 1 0 347.415 2.369 20 5 EEBDRO Cc1cc(N(C)CCN2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272805847 269021950 /nfs/dbraw/zinc/02/19/50/269021950.db2.gz FSMXRZXLUDFQMT-UHFFFAOYSA-N 1 0 330.388 2.220 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000277407533 269153233 /nfs/dbraw/zinc/15/32/33/269153233.db2.gz YXFYVWBEBBKPBO-AWEZNQCLSA-N 1 0 335.404 2.468 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277623248 269164278 /nfs/dbraw/zinc/16/42/78/269164278.db2.gz WNJURGFUKAXUAB-OAHLLOKOSA-N 1 0 347.415 2.497 20 5 EEBDRO O=c1ccn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278510297 269235332 /nfs/dbraw/zinc/23/53/32/269235332.db2.gz DZOYRFIMMNRSLN-INIZCTEOSA-N 1 0 343.383 2.048 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279897078 269314102 /nfs/dbraw/zinc/31/41/02/269314102.db2.gz DHXBZIBDISRIDM-DYVFJYSZSA-N 1 0 335.404 2.467 20 5 EEBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000280364316 269355836 /nfs/dbraw/zinc/35/58/36/269355836.db2.gz YKCNWTINJYINOJ-UHFFFAOYSA-N 1 0 344.415 2.187 20 5 EEBDRO CCC(=O)c1ccc(N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])c1 ZINC000280784767 269389924 /nfs/dbraw/zinc/38/99/24/269389924.db2.gz TVNSFUSJKWBKTI-UHFFFAOYSA-N 1 0 349.431 2.471 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)CO[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342701 274349174 /nfs/dbraw/zinc/34/91/74/274349174.db2.gz MACRONZMNWLQOA-WQVCFCJDSA-N 1 0 326.393 2.048 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287146539 274938991 /nfs/dbraw/zinc/93/89/91/274938991.db2.gz AZGFNPAHUBCLAP-LBPRGKRZSA-N 1 0 326.393 2.432 20 5 EEBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000288276848 275041748 /nfs/dbraw/zinc/04/17/48/275041748.db2.gz QXDPEGVJQPSBNW-WCQYABFASA-N 1 0 328.376 2.042 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000289624798 275133685 /nfs/dbraw/zinc/13/36/85/275133685.db2.gz WPRFKYQRKRREMR-UHFFFAOYSA-N 1 0 330.266 2.306 20 5 EEBDRO Cc1nn2c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])c(C)nc2s1 ZINC000289886520 275158493 /nfs/dbraw/zinc/15/84/93/275158493.db2.gz SKPLGEKFYCWCIS-UHFFFAOYSA-N 1 0 346.416 2.281 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290104967 275180025 /nfs/dbraw/zinc/18/00/25/275180025.db2.gz XXLVWZKSODBWLM-ZWNOBZJWSA-N 1 0 329.360 2.312 20 5 EEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290532912 275215845 /nfs/dbraw/zinc/21/58/45/275215845.db2.gz HOAXVULSQNWICO-NSHDSACASA-N 1 0 335.408 2.011 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C[NH+](C)C ZINC000291638876 275325546 /nfs/dbraw/zinc/32/55/46/275325546.db2.gz AYCIESJRUDNLJT-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000291910606 275352541 /nfs/dbraw/zinc/35/25/41/275352541.db2.gz NQOZKRKQAGVWLA-LLVKDONJSA-N 1 0 339.392 2.071 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133514626 276300874 /nfs/dbraw/zinc/30/08/74/276300874.db2.gz LHYDLEBOCGWBNR-GHMZBOCLSA-N 1 0 334.376 2.204 20 5 EEBDRO COC(=O)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000495121608 277335343 /nfs/dbraw/zinc/33/53/43/277335343.db2.gz HRQNZZZYLSKFOL-UHFFFAOYSA-N 1 0 330.344 2.340 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1[NH+](C)C ZINC000270501367 278165167 /nfs/dbraw/zinc/16/51/67/278165167.db2.gz PTYBHDNWQNLNIX-PWSUYJOCSA-N 1 0 329.447 2.082 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000123280064 278348815 /nfs/dbraw/zinc/34/88/15/278348815.db2.gz QWRRPYDSYKUFHL-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO Cn1ccnc1[C@@H](NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353455386 279375523 /nfs/dbraw/zinc/37/55/23/279375523.db2.gz PSOGXMKXSGVZFY-INIZCTEOSA-N 1 0 329.404 2.102 20 5 EEBDRO CCNC(=O)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447601795 279467693 /nfs/dbraw/zinc/46/76/93/279467693.db2.gz RCJJLHLRRPQOLP-UONOGXRCSA-N 1 0 349.435 2.171 20 5 EEBDRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261765444 279707813 /nfs/dbraw/zinc/70/78/13/279707813.db2.gz KABVDIGQEIZHTO-CMPLNLGQSA-N 1 0 344.371 2.048 20 5 EEBDRO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337830584 280300751 /nfs/dbraw/zinc/30/07/51/280300751.db2.gz VRJANVVTIPHZBZ-IRXDYDNUSA-N 1 0 340.383 2.439 20 5 EEBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[N@H+]1C ZINC000293516617 293227644 /nfs/dbraw/zinc/22/76/44/293227644.db2.gz VRFFXABEEXPNNK-TXEJJXNPSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@@H+](C2CCC2)C1 ZINC000293691102 293271527 /nfs/dbraw/zinc/27/15/27/293271527.db2.gz MHYNEPNWFYSZAZ-GFCCVEGCSA-N 1 0 333.388 2.247 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293706978 293275554 /nfs/dbraw/zinc/27/55/54/293275554.db2.gz SBSHMYLDJATDCG-WUTVXBCWSA-N 1 0 343.387 2.029 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293860679 293312625 /nfs/dbraw/zinc/31/26/25/293312625.db2.gz GZKIYMWPAGXCOU-UHFFFAOYSA-N 1 0 338.383 2.312 20 5 EEBDRO COC(=O)Cc1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000295727801 293801625 /nfs/dbraw/zinc/80/16/25/293801625.db2.gz VNIYCRZZYWRMJF-UKRRQHHQSA-N 1 0 347.415 2.373 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296535285 294001708 /nfs/dbraw/zinc/00/17/08/294001708.db2.gz XBOWCJKCSVEFGO-HNNXBMFYSA-N 1 0 349.431 2.097 20 5 EEBDRO Cc1cc(OCC(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000297232642 294187046 /nfs/dbraw/zinc/18/70/46/294187046.db2.gz RRHGNBUVFBPDJG-UHFFFAOYSA-N 1 0 347.415 2.415 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000297383388 294228955 /nfs/dbraw/zinc/22/89/55/294228955.db2.gz RGIPKZFJVAOOJU-QZTJIDSGSA-N 1 0 347.459 2.352 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000297567165 294282027 /nfs/dbraw/zinc/28/20/27/294282027.db2.gz RWOWKYCCPBHQEN-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000297985129 294389235 /nfs/dbraw/zinc/38/92/35/294389235.db2.gz WNNHZKFSSUVMBR-NEPJUHHUSA-N 1 0 337.376 2.041 20 5 EEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299542221 294769205 /nfs/dbraw/zinc/76/92/05/294769205.db2.gz HNVKJLFWVRXSQL-UHFFFAOYSA-N 1 0 335.408 2.011 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000195116275 303482941 /nfs/dbraw/zinc/48/29/41/303482941.db2.gz PIMXTEBLKAXUIB-AWEZNQCLSA-N 1 0 335.407 2.104 20 5 EEBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313377112 311587099 /nfs/dbraw/zinc/58/70/99/311587099.db2.gz MTTKPRFWYFLVAZ-INIZCTEOSA-N 1 0 341.367 2.390 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332262930 311979488 /nfs/dbraw/zinc/97/94/88/311979488.db2.gz FVLHUHUOJSARPI-OAHLLOKOSA-N 1 0 346.431 2.402 20 5 EEBDRO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1=CC[N@H+](C)CC1 ZINC000332500391 312016135 /nfs/dbraw/zinc/01/61/35/312016135.db2.gz QZVNAKNBDPHNID-ZDUSSCGKSA-N 1 0 344.415 2.313 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332511032 312017624 /nfs/dbraw/zinc/01/76/24/312017624.db2.gz UWBOGXDQGVIJTL-LSDHHAIUSA-N 1 0 346.431 2.400 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)s2)cc1 ZINC000414551436 313039169 /nfs/dbraw/zinc/03/91/69/313039169.db2.gz BDAJAAMZVUNXOI-XJKSGUPXSA-N 1 0 348.424 2.498 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)s1 ZINC000414552299 313039831 /nfs/dbraw/zinc/03/98/31/313039831.db2.gz DEGKWRRNWQSBAC-LRDDRELGSA-N 1 0 348.424 2.498 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414950973 313113735 /nfs/dbraw/zinc/11/37/35/313113735.db2.gz PHWHNRGRPKPENA-RKDXNWHRSA-N 1 0 344.318 2.458 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414962498 313116817 /nfs/dbraw/zinc/11/68/17/313116817.db2.gz ZSJYIBNKXCZCBQ-SNVBAGLBSA-N 1 0 344.318 2.412 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417234441 313459328 /nfs/dbraw/zinc/45/93/28/313459328.db2.gz PSUUKJDOKQGMRT-JKSUJKDBSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417736770 313580839 /nfs/dbraw/zinc/58/08/39/313580839.db2.gz XBZUZETWUHOKBU-QGZVFWFLSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417759007 313587371 /nfs/dbraw/zinc/58/73/71/313587371.db2.gz CZCQUZPYIMZLRM-JKSUJKDBSA-N 1 0 346.431 2.168 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418090165 313709566 /nfs/dbraw/zinc/70/95/66/313709566.db2.gz NHLAOHVBWSPBRG-SNVBAGLBSA-N 1 0 334.298 2.150 20 5 EEBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000421009668 314023044 /nfs/dbraw/zinc/02/30/44/314023044.db2.gz CDIXRWYFQIOEFV-IAGOWNOFSA-N 1 0 344.415 2.420 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000421709460 314148057 /nfs/dbraw/zinc/14/80/57/314148057.db2.gz FJFWKBIMHNWEEP-GFCCVEGCSA-N 1 0 328.372 2.309 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640505 314298137 /nfs/dbraw/zinc/29/81/37/314298137.db2.gz VQYWARDCKPRTEA-BNOWGMLFSA-N 1 0 334.420 2.147 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430551956 314543736 /nfs/dbraw/zinc/54/37/36/314543736.db2.gz ACDFJASBOWUIMR-CQSZACIVSA-N 1 0 328.800 2.150 20 5 EEBDRO NC(=O)c1cccc(NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000439104268 315067926 /nfs/dbraw/zinc/06/79/26/315067926.db2.gz ASOXFQYQMBWKCM-UHFFFAOYSA-N 1 0 340.383 2.164 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255354 315177067 /nfs/dbraw/zinc/17/70/67/315177067.db2.gz KQRJWERUICDCIM-CSMYWGQOSA-N 1 0 337.395 2.417 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342610 315243033 /nfs/dbraw/zinc/24/30/33/315243033.db2.gz FFAXWRMWUKVJAS-YDHLFZDLSA-N 1 0 338.404 2.464 20 5 EEBDRO CNc1nc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455662710 315679597 /nfs/dbraw/zinc/67/95/97/315679597.db2.gz KNBNAVNYSVXUIS-UHFFFAOYSA-N 1 0 349.435 2.224 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000459797030 315760674 /nfs/dbraw/zinc/76/06/74/315760674.db2.gz RUJCKXDJFQCBJP-LLVKDONJSA-N 1 0 347.375 2.016 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000516598163 316573665 /nfs/dbraw/zinc/57/36/65/316573665.db2.gz NUXSLRBCSHVGTK-AWEZNQCLSA-N 1 0 338.310 2.403 20 5 EEBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C[NH+](C)C ZINC000531488556 317799351 /nfs/dbraw/zinc/79/93/51/317799351.db2.gz FSZQKLOJMNWEFA-JTQLQIEISA-N 1 0 337.376 2.030 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000536838164 318011102 /nfs/dbraw/zinc/01/11/02/318011102.db2.gz HAOMJZWONZOJRC-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO CCC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 ZINC000540972598 318089268 /nfs/dbraw/zinc/08/92/68/318089268.db2.gz KDBHPOAOLADYIY-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543751949 318172001 /nfs/dbraw/zinc/17/20/01/318172001.db2.gz XJPXXVZDKCDQNU-CHWSQXEVSA-N 1 0 334.420 2.316 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000565841041 319220222 /nfs/dbraw/zinc/22/02/22/319220222.db2.gz FOYRMRPLXQKQNH-CYBMUJFWSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576031069 320134982 /nfs/dbraw/zinc/13/49/82/320134982.db2.gz ACRDWCRASVBJKX-CYBMUJFWSA-N 1 0 343.387 2.324 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000576808510 320205796 /nfs/dbraw/zinc/20/57/96/320205796.db2.gz MBDSJHHLWLKDTP-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578113319 320294888 /nfs/dbraw/zinc/29/48/88/320294888.db2.gz JAKUYYMKRPJPFU-NSHDSACASA-N 1 0 342.193 2.228 20 5 EEBDRO COc1ncccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578642711 323675639 /nfs/dbraw/zinc/67/56/39/323675639.db2.gz ZEAGPTURPRRRJU-UHFFFAOYSA-N 1 0 344.371 2.159 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000581365013 324237654 /nfs/dbraw/zinc/23/76/54/324237654.db2.gz ZPCYOXSLYHEFGB-INIZCTEOSA-N 1 0 341.367 2.390 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706890 449389590 /nfs/dbraw/zinc/38/95/90/449389590.db2.gz HMWHECOJPMAKCX-OAHLLOKOSA-N 1 0 333.417 2.387 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000286797302 465027274 /nfs/dbraw/zinc/02/72/74/465027274.db2.gz VPTJTWOYNXRFDI-CQSZACIVSA-N 1 0 346.431 2.263 20 5 EEBDRO CC[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](CC)CC ZINC000347461594 465036223 /nfs/dbraw/zinc/03/62/23/465036223.db2.gz GIUCYLNOIAZLEP-INIZCTEOSA-N 1 0 335.404 2.305 20 5 EEBDRO Cc1c(Br)c(NC[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000336817227 465047732 /nfs/dbraw/zinc/04/77/32/465047732.db2.gz PGADXZKWITVEHS-QMMMGPOBSA-N 1 0 331.214 2.670 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000296132433 465091574 /nfs/dbraw/zinc/09/15/74/465091574.db2.gz CFGVVIUBSVFBIK-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000341309142 465103935 /nfs/dbraw/zinc/10/39/35/465103935.db2.gz UXOULEREWFIQFY-UHFFFAOYSA-N 1 0 341.433 2.276 20 5 EEBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000337077328 465181328 /nfs/dbraw/zinc/18/13/28/465181328.db2.gz RPEJDMJKBCXZSV-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520854828 468276317 /nfs/dbraw/zinc/27/63/17/468276317.db2.gz FRZUHQFJDSOQOI-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000590688533 468306752 /nfs/dbraw/zinc/30/67/52/468306752.db2.gz IZTIRSTUDIECCE-IAGOWNOFSA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000153105118 462615714 /nfs/dbraw/zinc/61/57/14/462615714.db2.gz WUIGSZDKKMSBGU-WBMJQRKESA-N 1 0 334.372 2.462 20 5 EEBDRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074743727 462629486 /nfs/dbraw/zinc/62/94/86/462629486.db2.gz DJEQCKVKEBBSTN-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[NH+]1CCCCC1 ZINC000153651455 462675625 /nfs/dbraw/zinc/67/56/25/462675625.db2.gz IBPUYNONLXUPMS-UHFFFAOYSA-N 1 0 330.388 2.221 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@]2(CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128887184 462678037 /nfs/dbraw/zinc/67/80/37/462678037.db2.gz VRUHRPWYFQFFNX-MRXNPFEDSA-N 1 0 337.351 2.175 20 5 EEBDRO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000075633747 462742004 /nfs/dbraw/zinc/74/20/04/462742004.db2.gz CDSBUQBCKVPLHN-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(OC)c1 ZINC000075645681 462744774 /nfs/dbraw/zinc/74/47/74/462744774.db2.gz KMDAJWGFZZEVDY-XJKSGUPXSA-N 1 0 348.403 2.244 20 5 EEBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015506 462766851 /nfs/dbraw/zinc/76/68/51/462766851.db2.gz ZULJWTNRZLATKX-STQMWFEESA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000075954818 462776360 /nfs/dbraw/zinc/77/63/60/462776360.db2.gz LIHISVZWTYDPIW-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000132354617 462852533 /nfs/dbraw/zinc/85/25/33/462852533.db2.gz TWEGATQUSXMSNV-GOSISDBHSA-N 1 0 328.368 2.397 20 5 EEBDRO Cc1nn(C)c(N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051504780 463038364 /nfs/dbraw/zinc/03/83/64/463038364.db2.gz LLKSFOKBPBKZPW-UHFFFAOYSA-N 1 0 329.404 2.001 20 5 EEBDRO Cc1ccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000590781316 468337491 /nfs/dbraw/zinc/33/74/91/468337491.db2.gz VUCGACUHVFDYRJ-UHFFFAOYSA-N 1 0 329.356 2.402 20 5 EEBDRO NC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526584 463124454 /nfs/dbraw/zinc/12/44/54/463124454.db2.gz XFNFPIDTMIWQQQ-CQSZACIVSA-N 1 0 332.404 2.370 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069110999 463208513 /nfs/dbraw/zinc/20/85/13/463208513.db2.gz SJGWFACZHNAEBR-CYBMUJFWSA-N 1 0 338.408 2.003 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079682373 463239800 /nfs/dbraw/zinc/23/98/00/463239800.db2.gz VLEGRQVQUQPUHP-SECBINFHSA-N 1 0 331.294 2.295 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771259 463248806 /nfs/dbraw/zinc/24/88/06/463248806.db2.gz KHZMIGYPKXHBQP-UHFFFAOYSA-N 1 0 342.193 2.183 20 5 EEBDRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000136973621 463268739 /nfs/dbraw/zinc/26/87/39/463268739.db2.gz ZJGFELFVSBTRBU-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000069802541 463327972 /nfs/dbraw/zinc/32/79/72/463327972.db2.gz MILKIMGYWFIHOV-CYBMUJFWSA-N 1 0 325.434 2.201 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000124404168 463418577 /nfs/dbraw/zinc/41/85/77/463418577.db2.gz KOXLYHJMKXQXEX-UHFFFAOYSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000125114580 463505009 /nfs/dbraw/zinc/50/50/09/463505009.db2.gz RFQWJXGKCBLZJO-LBPRGKRZSA-N 1 0 336.392 2.080 20 5 EEBDRO CC(C)C[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041894489 463519100 /nfs/dbraw/zinc/51/91/00/463519100.db2.gz LZJGBDZIKGSJFB-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000072810465 463547833 /nfs/dbraw/zinc/54/78/33/463547833.db2.gz UYWHAPDIONQJNU-GXTWGEPZSA-N 1 0 349.435 2.353 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000151803815 463593745 /nfs/dbraw/zinc/59/37/45/463593745.db2.gz QIFYPFONOIONBZ-UHFFFAOYSA-N 1 0 345.403 2.193 20 5 EEBDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834352 463632899 /nfs/dbraw/zinc/63/28/99/463632899.db2.gz OSRWGRXPOUCADN-CZUORRHYSA-N 1 0 335.404 2.129 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170684748 463695228 /nfs/dbraw/zinc/69/52/28/463695228.db2.gz YQTJEFNHZBCCEG-UHFFFAOYSA-N 1 0 347.396 2.195 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684385 463695276 /nfs/dbraw/zinc/69/52/76/463695276.db2.gz NNXLLJSMFJVJKB-ZDUSSCGKSA-N 1 0 348.359 2.203 20 5 EEBDRO CN(C)C(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000283070870 463754351 /nfs/dbraw/zinc/75/43/51/463754351.db2.gz QJQUFJWPTRGQPC-UHFFFAOYSA-N 1 0 330.388 2.299 20 5 EEBDRO COC(=O)c1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000276799258 463762058 /nfs/dbraw/zinc/76/20/58/463762058.db2.gz QOLJJDLITPNTBW-CYBMUJFWSA-N 1 0 348.403 2.089 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000492292757 468376270 /nfs/dbraw/zinc/37/62/70/468376270.db2.gz YVPQKMNZQZPADL-AJNJCKRNSA-N 1 0 335.429 2.112 20 5 EEBDRO CCOc1cc(CN[C@@](C)(C(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276911967 463804272 /nfs/dbraw/zinc/80/42/72/463804272.db2.gz NLOKMGRLJZYTLQ-GOSISDBHSA-N 1 0 343.383 2.484 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287205721 463832837 /nfs/dbraw/zinc/83/28/37/463832837.db2.gz POKMXMPPGXMQIZ-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1OC ZINC000276997940 463835444 /nfs/dbraw/zinc/83/54/44/463835444.db2.gz NXKPFGOFCIRZHR-GXTWGEPZSA-N 1 0 337.376 2.089 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194380025 463850263 /nfs/dbraw/zinc/85/02/63/463850263.db2.gz KIPITETUHZQISG-OKILXGFUSA-N 1 0 335.404 2.132 20 5 EEBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000178769966 463968306 /nfs/dbraw/zinc/96/83/06/463968306.db2.gz CMFKDRZHSKIFAT-SNVBAGLBSA-N 1 0 327.768 2.155 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000178952868 464024394 /nfs/dbraw/zinc/02/43/94/464024394.db2.gz FIYKINUQFCJENM-CQSZACIVSA-N 1 0 346.431 2.315 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262725912 464039311 /nfs/dbraw/zinc/03/93/11/464039311.db2.gz ACEXLYLVOJQSQE-JSGCOSHPSA-N 1 0 341.433 2.102 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000263283902 464077733 /nfs/dbraw/zinc/07/77/33/464077733.db2.gz USGRSVRVFNCHCQ-BBRMVZONSA-N 1 0 335.360 2.228 20 5 EEBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000591014037 468392255 /nfs/dbraw/zinc/39/22/55/468392255.db2.gz VMBWIIODGXYPEC-SFHVURJKSA-N 1 0 343.383 2.421 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000284338816 464156447 /nfs/dbraw/zinc/15/64/47/464156447.db2.gz XSNOHPMENUSCTP-LBPRGKRZSA-N 1 0 341.358 2.027 20 5 EEBDRO CCC(=O)c1ccc(NCCN2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280094313 464188236 /nfs/dbraw/zinc/18/82/36/464188236.db2.gz TUIKBLBVLOJFKQ-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270780989 464266906 /nfs/dbraw/zinc/26/69/06/464266906.db2.gz JMVPKPYPLLABCU-GDBMZVCRSA-N 1 0 340.383 2.500 20 5 EEBDRO COc1cc(C(=O)NCC2([NH3+])CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237251401 464291619 /nfs/dbraw/zinc/29/16/19/464291619.db2.gz YGMLOXBRCORKGG-UHFFFAOYSA-N 1 0 337.376 2.003 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180423713 464308219 /nfs/dbraw/zinc/30/82/19/464308219.db2.gz IJMYENXBGHXDIH-LLVKDONJSA-N 1 0 334.376 2.014 20 5 EEBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264419938 464318575 /nfs/dbraw/zinc/31/85/75/464318575.db2.gz QXLLLQYHNPKGOV-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188684340 464342891 /nfs/dbraw/zinc/34/28/91/464342891.db2.gz WVPFNJNQMYHKDC-UHFFFAOYSA-N 1 0 325.368 2.447 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180661826 464363031 /nfs/dbraw/zinc/36/30/31/464363031.db2.gz YEHIAXGEVRSLHQ-BETUJISGSA-N 1 0 334.420 2.275 20 5 EEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237968602 464412954 /nfs/dbraw/zinc/41/29/54/464412954.db2.gz GXRUUNPKQWJTMX-PBWFPOADSA-N 1 0 330.388 2.182 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180890516 464415275 /nfs/dbraw/zinc/41/52/75/464415275.db2.gz HVOQUKZKIWOAGH-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264807799 464473607 /nfs/dbraw/zinc/47/36/07/464473607.db2.gz VTKFGZHQNPMBCH-LBPRGKRZSA-N 1 0 325.384 2.263 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153535 464498713 /nfs/dbraw/zinc/49/87/13/464498713.db2.gz CZXYXADEQDFLQJ-FZMZJTMJSA-N 1 0 341.358 2.485 20 5 EEBDRO C[C@H](C(=O)NCC(F)(F)F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285317744 464522567 /nfs/dbraw/zinc/52/25/67/464522567.db2.gz MQRQULTWOWYBNE-SNVBAGLBSA-N 1 0 333.310 2.136 20 5 EEBDRO C[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000294554222 464534814 /nfs/dbraw/zinc/53/48/14/464534814.db2.gz YRSRFPYSDREBCH-GFCCVEGCSA-N 1 0 328.372 2.337 20 5 EEBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000281689806 464548653 /nfs/dbraw/zinc/54/86/53/464548653.db2.gz RROLADHXXHARFY-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000281728019 464561393 /nfs/dbraw/zinc/56/13/93/464561393.db2.gz AOARLOPPHQZAMO-ZIAGYGMSSA-N 1 0 348.428 2.346 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000285482433 464579536 /nfs/dbraw/zinc/57/95/36/464579536.db2.gz LPOQPHBFVJAEJE-CQSZACIVSA-N 1 0 347.337 2.256 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000272371081 464581507 /nfs/dbraw/zinc/58/15/07/464581507.db2.gz RYQXKRVRWBFYMJ-KGLIPLIRSA-N 1 0 338.433 2.413 20 5 EEBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285692132 464661718 /nfs/dbraw/zinc/66/17/18/464661718.db2.gz GYRXNXQODHPCGX-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272606185 464675877 /nfs/dbraw/zinc/67/58/77/464675877.db2.gz VWMLGAVSMBTQKS-XJKCOSOUSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC000295142801 464722009 /nfs/dbraw/zinc/72/20/09/464722009.db2.gz LDKPBDYOWTVBIO-VIFPVBQESA-N 1 0 329.784 2.278 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000248113112 464730788 /nfs/dbraw/zinc/73/07/88/464730788.db2.gz RIJBQBHMMLOYOA-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO CCc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176285379 464740583 /nfs/dbraw/zinc/74/05/83/464740583.db2.gz SPEJQVVPPSRYTG-UHFFFAOYSA-N 1 0 329.404 2.176 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000285960669 464756885 /nfs/dbraw/zinc/75/68/85/464756885.db2.gz AIICSKSCTWJTEH-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285977066 464762031 /nfs/dbraw/zinc/76/20/31/464762031.db2.gz WXFWFVHZAKFOEH-GJZGRUSLSA-N 1 0 347.415 2.367 20 5 EEBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994083 464767164 /nfs/dbraw/zinc/76/71/64/464767164.db2.gz FYULHEQVNVKPRA-WDEREUQCSA-N 1 0 335.360 2.430 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000248840468 464808021 /nfs/dbraw/zinc/80/80/21/464808021.db2.gz QLLQANQWYJGLTH-GXTWGEPZSA-N 1 0 333.388 2.160 20 5 EEBDRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282440106 464820637 /nfs/dbraw/zinc/82/06/37/464820637.db2.gz DTICYZHWKAWWIA-SJKOYZFVSA-N 1 0 349.387 2.054 20 5 EEBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000249047377 464833083 /nfs/dbraw/zinc/83/30/83/464833083.db2.gz NVDXUBGYUSHVEV-QWHCGFSZSA-N 1 0 326.418 2.162 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2cnccn2)CC1 ZINC000266889422 464859434 /nfs/dbraw/zinc/85/94/34/464859434.db2.gz DFEBUBCCEVEMAP-UHFFFAOYSA-N 1 0 333.779 2.360 20 5 EEBDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900510 464863849 /nfs/dbraw/zinc/86/38/49/464863849.db2.gz UBFNXMLQVGSEHZ-RHSMWYFYSA-N 1 0 348.447 2.188 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000286283521 464867275 /nfs/dbraw/zinc/86/72/75/464867275.db2.gz IGKUMRBFCHWCQL-GOSISDBHSA-N 1 0 339.399 2.487 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000286430984 464915183 /nfs/dbraw/zinc/91/51/83/464915183.db2.gz IUCXQAYHBJNVBD-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000177108758 464932606 /nfs/dbraw/zinc/93/26/06/464932606.db2.gz MCLLDMOTISYRAG-UHFFFAOYSA-N 1 0 341.433 2.229 20 5 EEBDRO CNC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286486881 464935869 /nfs/dbraw/zinc/93/58/69/464935869.db2.gz VKXRRFVVBQEZOJ-PBWFPOADSA-N 1 0 332.404 2.016 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1F ZINC000276509694 464961578 /nfs/dbraw/zinc/96/15/78/464961578.db2.gz DPRBSSHLLNAOBI-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CC(C)(C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786440 464963610 /nfs/dbraw/zinc/96/36/10/464963610.db2.gz ZHYQCERAFXSHJX-BBRMVZONSA-N 1 0 349.431 2.242 20 5 EEBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@@H+]1CCOC ZINC000192734237 464987770 /nfs/dbraw/zinc/98/77/70/464987770.db2.gz QTZCIDKRQPKFQE-AWEZNQCLSA-N 1 0 339.440 2.057 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273682 465002299 /nfs/dbraw/zinc/00/22/99/465002299.db2.gz VTZLOWZWIKBUAL-BLLLJJGKSA-N 1 0 331.416 2.471 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000295931842 465008477 /nfs/dbraw/zinc/00/84/77/465008477.db2.gz FZUCJGZBJDXDNB-CQSZACIVSA-N 1 0 337.420 2.398 20 5 EEBDRO [NH3+]C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000342603910 465332549 /nfs/dbraw/zinc/33/25/49/465332549.db2.gz YVJJXMQFIVFZIP-UHFFFAOYSA-N 1 0 335.407 2.152 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593910702 468430011 /nfs/dbraw/zinc/43/00/11/468430011.db2.gz BJSXSMJZQKJLMS-GRDNDAEWSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[NH2+][C@@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000358911910 465364542 /nfs/dbraw/zinc/36/45/42/465364542.db2.gz DLNYLYWMVVHXGR-QMMMGPOBSA-N 1 0 330.182 2.085 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919703 465388411 /nfs/dbraw/zinc/38/84/11/465388411.db2.gz IYQCHNZCTIUWQO-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO CC(C)[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1C ZINC000343217212 465490765 /nfs/dbraw/zinc/49/07/65/465490765.db2.gz QTZBPDSUFWNZQF-AWEZNQCLSA-N 1 0 331.376 2.020 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298944942 465547248 /nfs/dbraw/zinc/54/72/48/465547248.db2.gz RBCFMMSLXCHCPN-CABCVRRESA-N 1 0 348.403 2.029 20 5 EEBDRO CC1(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)COC1 ZINC000360335592 465556722 /nfs/dbraw/zinc/55/67/22/465556722.db2.gz HIBMIKCPPIUYMP-UHFFFAOYSA-N 1 0 345.403 2.020 20 5 EEBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000356927475 465635344 /nfs/dbraw/zinc/63/53/44/465635344.db2.gz VGCDTAYMJOGVCP-UHFFFAOYSA-N 1 0 349.431 2.445 20 5 EEBDRO Cc1c(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000362315548 465649785 /nfs/dbraw/zinc/64/97/85/465649785.db2.gz APBPLJCRJFLTTR-QGZVFWFLSA-N 1 0 349.431 2.313 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371232603 465658090 /nfs/dbraw/zinc/65/80/90/465658090.db2.gz TVDBVEFUBHHTJE-HNNXBMFYSA-N 1 0 333.388 2.208 20 5 EEBDRO CSC1(CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000362331124 465659018 /nfs/dbraw/zinc/65/90/18/465659018.db2.gz BDTDTUFPKZJTKV-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000299236334 465659760 /nfs/dbraw/zinc/65/97/60/465659760.db2.gz HEVFPKVBUFBUIW-NWDGAFQWSA-N 1 0 345.403 2.321 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000356974996 465671402 /nfs/dbraw/zinc/67/14/02/465671402.db2.gz JKMSPRIGDZVZPA-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO Nc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000299429427 465745487 /nfs/dbraw/zinc/74/54/87/465745487.db2.gz CAICENHRGCLQRJ-NSHDSACASA-N 1 0 348.432 2.353 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCCn3ccnc3)CC2)n1 ZINC000361076355 465749550 /nfs/dbraw/zinc/74/95/50/465749550.db2.gz XWFGBIZSTICLRR-UHFFFAOYSA-N 1 0 332.408 2.180 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000593984599 468452301 /nfs/dbraw/zinc/45/23/01/468452301.db2.gz VMZKXJHVVKHHSU-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000371500621 465838733 /nfs/dbraw/zinc/83/87/33/465838733.db2.gz PVXAKCYQJYJOOF-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000330979767 465882496 /nfs/dbraw/zinc/88/24/96/465882496.db2.gz NHXZCMAKDDXSBI-HNNXBMFYSA-N 1 0 334.420 2.114 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346216009 466000544 /nfs/dbraw/zinc/00/05/44/466000544.db2.gz ZPOMTPTVYVLVGT-SNVBAGLBSA-N 1 0 334.401 2.398 20 5 EEBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccon1 ZINC000349239138 466031964 /nfs/dbraw/zinc/03/19/64/466031964.db2.gz KWPIRCYAXWFVMC-SNVBAGLBSA-N 1 0 332.316 2.232 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439445 468469812 /nfs/dbraw/zinc/46/98/12/468469812.db2.gz VFKCAGJPHXCMBV-ABAIWWIYSA-N 1 0 328.372 2.340 20 5 EEBDRO CC(C)[C@@H](O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000304265892 466272888 /nfs/dbraw/zinc/27/28/88/466272888.db2.gz DADVOORKSYXHJK-INIZCTEOSA-N 1 0 332.404 2.492 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000304332297 466284866 /nfs/dbraw/zinc/28/48/66/466284866.db2.gz VOJUZOJTYPXOHP-CABCVRRESA-N 1 0 334.376 2.363 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)n1 ZINC000331911021 466303068 /nfs/dbraw/zinc/30/30/68/466303068.db2.gz YHQIKKQDLWDHHU-IHRRRGAJSA-N 1 0 349.435 2.289 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000340779176 466330668 /nfs/dbraw/zinc/33/06/68/466330668.db2.gz OLPIDLSAXYGUDP-GXTWGEPZSA-N 1 0 328.372 2.200 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+](CCO)CCO)o2)c(Cl)c1 ZINC000600178753 468485748 /nfs/dbraw/zinc/48/57/48/468485748.db2.gz GCZUBODCJQWJAR-UHFFFAOYSA-N 1 0 340.763 2.295 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000591581203 468486372 /nfs/dbraw/zinc/48/63/72/468486372.db2.gz NJLRYLNATJGSLC-CVEARBPZSA-N 1 0 341.415 2.149 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305794095 466466827 /nfs/dbraw/zinc/46/68/27/466466827.db2.gz DZAFSCDWNRLRPG-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000362023590 466492004 /nfs/dbraw/zinc/49/20/04/466492004.db2.gz ONWMHWJTDGDQKB-AWEZNQCLSA-N 1 0 340.383 2.062 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000358200630 466536024 /nfs/dbraw/zinc/53/60/24/466536024.db2.gz JGGMXXIGUQCBEF-LRDDRELGSA-N 1 0 333.388 2.025 20 5 EEBDRO CCc1cnccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358266067 466580715 /nfs/dbraw/zinc/58/07/15/466580715.db2.gz MSWZIHBTGBAFFD-UHFFFAOYSA-N 1 0 337.339 2.412 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000322295099 466631292 /nfs/dbraw/zinc/63/12/92/466631292.db2.gz TWIMDMKYPLIWKF-UWVGGRQHSA-N 1 0 325.315 2.230 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000408435055 466651426 /nfs/dbraw/zinc/65/14/26/466651426.db2.gz LAIFGAUPTFFFAM-KBPBESRZSA-N 1 0 346.431 2.360 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205568 466728509 /nfs/dbraw/zinc/72/85/09/466728509.db2.gz UIIWRJSDYAVNFU-ZWKOTPCHSA-N 1 0 346.358 2.361 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365206252 466744993 /nfs/dbraw/zinc/74/49/93/466744993.db2.gz WXGFTBNDWMHSOU-PBHICJAKSA-N 1 0 349.387 2.089 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000373583100 466855534 /nfs/dbraw/zinc/85/55/34/466855534.db2.gz PGBRRGQHMQKRNG-KRWDZBQOSA-N 1 0 328.372 2.350 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)s1 ZINC000373587724 466857379 /nfs/dbraw/zinc/85/73/79/466857379.db2.gz YPWZCCCTMXKKQK-NWDGAFQWSA-N 1 0 334.397 2.251 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708742 466914257 /nfs/dbraw/zinc/91/42/57/466914257.db2.gz AEIVQSZINOPDIN-UKRRQHHQSA-N 1 0 334.420 2.296 20 5 EEBDRO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365818682 466950146 /nfs/dbraw/zinc/95/01/46/466950146.db2.gz GKXAMZMBJMOLNS-CYBMUJFWSA-N 1 0 337.424 2.123 20 5 EEBDRO C[C@@H]1C[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424053084 466964129 /nfs/dbraw/zinc/96/41/29/466964129.db2.gz NTKFXPQYCNUASN-HZSPNIEDSA-N 1 0 334.420 2.229 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418743350 467153176 /nfs/dbraw/zinc/15/31/76/467153176.db2.gz CYIZQWLVTZKTPT-CQSZACIVSA-N 1 0 348.403 2.031 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427617881 467167531 /nfs/dbraw/zinc/16/75/31/467167531.db2.gz LEPMKYVQQWFSKO-JFGNBEQYSA-N 1 0 341.795 2.130 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000413182481 467185742 /nfs/dbraw/zinc/18/57/42/467185742.db2.gz XPRVKYDGFOCNOB-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000428041633 467197407 /nfs/dbraw/zinc/19/74/07/467197407.db2.gz RAHIBNDWYVAKMJ-ZBFHGGJFSA-N 1 0 342.399 2.476 20 5 EEBDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318359 467325237 /nfs/dbraw/zinc/32/52/37/467325237.db2.gz NGZXBJBCXCJYJT-AAEUAGOBSA-N 1 0 341.367 2.384 20 5 EEBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420245304 467329305 /nfs/dbraw/zinc/32/93/05/467329305.db2.gz ZSAFCUMZFCDFLG-UONOGXRCSA-N 1 0 327.388 2.464 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420264990 467332958 /nfs/dbraw/zinc/33/29/58/467332958.db2.gz DIGBCAJZGZORJK-UONOGXRCSA-N 1 0 343.387 2.471 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420325888 467357214 /nfs/dbraw/zinc/35/72/14/467357214.db2.gz BZWGGTDHPJEKDO-SWLSCSKDSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430640237 467454503 /nfs/dbraw/zinc/45/45/03/467454503.db2.gz GUCDYRCYQOKNPA-RISCZKNCSA-N 1 0 331.376 2.347 20 5 EEBDRO C[NH2+]CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430969868 467484512 /nfs/dbraw/zinc/48/45/12/467484512.db2.gz HCMGBZYSFAJCRE-UHFFFAOYSA-N 1 0 331.376 2.076 20 5 EEBDRO CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449069378 467616286 /nfs/dbraw/zinc/61/62/86/467616286.db2.gz GCKSOXIMPOSELC-YJBOKZPZSA-N 1 0 335.448 2.472 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202122 467623198 /nfs/dbraw/zinc/62/31/98/467623198.db2.gz FGOLDRCKESFIHW-JKSUJKDBSA-N 1 0 331.416 2.376 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496730731 467699910 /nfs/dbraw/zinc/69/99/10/467699910.db2.gz OCKGREBBGGYXHK-CQSZACIVSA-N 1 0 339.392 2.085 20 5 EEBDRO O=C1OCCN1C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000496861012 467724845 /nfs/dbraw/zinc/72/48/45/467724845.db2.gz ZEOGYWBYGHBUKD-NSHDSACASA-N 1 0 346.343 2.010 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457132128 467762567 /nfs/dbraw/zinc/76/25/67/467762567.db2.gz UJXZOWVXCAECBS-GFCCVEGCSA-N 1 0 331.376 2.026 20 5 EEBDRO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000458224748 467792427 /nfs/dbraw/zinc/79/24/27/467792427.db2.gz RPPWXQQGROOPJD-ZDUSSCGKSA-N 1 0 335.404 2.374 20 5 EEBDRO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458260637 467799196 /nfs/dbraw/zinc/79/91/96/467799196.db2.gz HZQWKMRZDBSTQB-UHFFFAOYSA-N 1 0 330.344 2.318 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000450253486 467810033 /nfs/dbraw/zinc/81/00/33/467810033.db2.gz OIWCMJXWAWVBCX-KGLIPLIRSA-N 1 0 333.388 2.349 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450331002 467828528 /nfs/dbraw/zinc/82/85/28/467828528.db2.gz UTJCJTGVSLWKJZ-INIZCTEOSA-N 1 0 344.415 2.648 20 5 EEBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598677 468180537 /nfs/dbraw/zinc/18/05/37/468180537.db2.gz RTWKHNWDFZFDNA-MAUKXSAKSA-N 1 0 346.383 2.312 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1(C)C ZINC000549721785 468193295 /nfs/dbraw/zinc/19/32/95/468193295.db2.gz WPLMIWOORZVGHK-UHFFFAOYSA-N 1 0 328.372 2.309 20 5 EEBDRO [NH3+]CC1(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000567803019 468213278 /nfs/dbraw/zinc/21/32/78/468213278.db2.gz IRJXGUHRTNDLST-UHFFFAOYSA-N 1 0 335.404 2.389 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590403781 468246713 /nfs/dbraw/zinc/24/67/13/468246713.db2.gz NVMBGNWAWOBJHZ-XHDPSFHLSA-N 1 0 332.404 2.334 20 5 EEBDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000591758004 468515016 /nfs/dbraw/zinc/51/50/16/468515016.db2.gz HRCVPFVCGJTGLP-IBGZPJMESA-N 1 0 343.427 2.220 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600310562 468529139 /nfs/dbraw/zinc/52/91/39/468529139.db2.gz KACCWOBYUQLEMS-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1ccc(NC(=O)CSCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000569807583 468546440 /nfs/dbraw/zinc/54/64/40/468546440.db2.gz JSXKGKWVKBAHRG-UHFFFAOYSA-N 1 0 339.417 2.275 20 5 EEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000570228519 468607986 /nfs/dbraw/zinc/60/79/86/468607986.db2.gz NSEWKXGFMVBTJF-HNNXBMFYSA-N 1 0 345.403 2.204 20 5 EEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583022067 468631113 /nfs/dbraw/zinc/63/11/13/468631113.db2.gz RWOPQSNIMRQJOX-AGUYFDCRSA-N 1 0 333.388 2.011 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597696070 468642036 /nfs/dbraw/zinc/64/20/36/468642036.db2.gz BDNJMMKFAQLAOX-MEDUHNTESA-N 1 0 343.387 2.150 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597714197 468648764 /nfs/dbraw/zinc/64/87/64/468648764.db2.gz HDVHPWCWVMYKJG-SFHVURJKSA-N 1 0 331.416 2.390 20 5 EEBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000592333676 468678688 /nfs/dbraw/zinc/67/86/88/468678688.db2.gz NOEKAOGWFKKUHQ-VXGBXAGGSA-N 1 0 343.387 2.240 20 5 EEBDRO CC[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331666 468678984 /nfs/dbraw/zinc/67/89/84/468678984.db2.gz MHOLSSWZDJMIND-SMDDNHRTSA-N 1 0 332.404 2.369 20 5 EEBDRO CC[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000592488754 468709893 /nfs/dbraw/zinc/70/98/93/468709893.db2.gz NFHPAGTVOSLCFD-FZMZJTMJSA-N 1 0 331.376 2.204 20 5 EEBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@]1(O)CCCOC1 ZINC000594997362 468741128 /nfs/dbraw/zinc/74/11/28/468741128.db2.gz WPSLCNNPRNFRSE-INIZCTEOSA-N 1 0 326.368 2.391 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000559637752 468749930 /nfs/dbraw/zinc/74/99/30/468749930.db2.gz ZQWPJBICYRGOBM-RDJZCZTQSA-N 1 0 343.383 2.219 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601160630 468765593 /nfs/dbraw/zinc/76/55/93/468765593.db2.gz YGZLGPTTXSLVEK-NXEZZACHSA-N 1 0 348.277 2.187 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223279 468787790 /nfs/dbraw/zinc/78/77/90/468787790.db2.gz XNSOFUKLGFQBEH-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258668 468795762 /nfs/dbraw/zinc/79/57/62/468795762.db2.gz VUHLMUFJCUSYPW-KRWDZBQOSA-N 1 0 341.367 2.437 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598262893 468810961 /nfs/dbraw/zinc/81/09/61/468810961.db2.gz NNMQLCAJDCMYFA-LBPRGKRZSA-N 1 0 345.403 2.321 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571670389 468822140 /nfs/dbraw/zinc/82/21/40/468822140.db2.gz BIPKCQVGLSIXFG-NHYWBVRUSA-N 1 0 349.387 2.333 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388290 468835610 /nfs/dbraw/zinc/83/56/10/468835610.db2.gz FSWWVAFQCGNIPM-VYDXJSESSA-N 1 0 337.395 2.417 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595505035 468880382 /nfs/dbraw/zinc/88/03/82/468880382.db2.gz PSCNCJNWKMDMDT-QGZVFWFLSA-N 1 0 329.404 2.389 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000595523083 468888050 /nfs/dbraw/zinc/88/80/50/468888050.db2.gz HMEXADMZYWZWNT-HOTGVXAUSA-N 1 0 347.463 2.090 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595522026 468888118 /nfs/dbraw/zinc/88/81/18/468888118.db2.gz IBWASSOJFLGSNE-AWEZNQCLSA-N 1 0 334.420 2.309 20 5 EEBDRO COC(=O)c1ccnc(NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598590464 468925092 /nfs/dbraw/zinc/92/50/92/468925092.db2.gz ZCBICAMRRXUTPQ-UHFFFAOYSA-N 1 0 344.371 2.320 20 5 EEBDRO COC(=O)c1ccnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598627957 468937670 /nfs/dbraw/zinc/93/76/70/468937670.db2.gz XKOCFFCFNVHPEN-GFCCVEGCSA-N 1 0 348.403 2.087 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635446 468979463 /nfs/dbraw/zinc/97/94/63/468979463.db2.gz YVPCPWLDIPVGJN-CYBMUJFWSA-N 1 0 348.403 2.327 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000602644932 468984363 /nfs/dbraw/zinc/98/43/63/468984363.db2.gz PJMJNACIMZTQCG-NWDGAFQWSA-N 1 0 348.321 2.348 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1C ZINC000610519075 468994520 /nfs/dbraw/zinc/99/45/20/468994520.db2.gz HGDMWKBWTDNSER-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO C[C@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC(=O)N1 ZINC000602689711 469012778 /nfs/dbraw/zinc/01/27/78/469012778.db2.gz YGQFKPGWQTWOKC-LLVKDONJSA-N 1 0 348.222 2.177 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H](CC)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000610575728 469006818 /nfs/dbraw/zinc/00/68/18/469006818.db2.gz FIXBCWCRPHQSGN-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000610582716 469010494 /nfs/dbraw/zinc/01/04/94/469010494.db2.gz QZTPKRYDXVPBCN-HNNXBMFYSA-N 1 0 326.360 2.019 20 5 EEBDRO Cc1ccncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602686592 469012119 /nfs/dbraw/zinc/01/21/19/469012119.db2.gz XQWZOGZBNYJVKM-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000593535066 469022045 /nfs/dbraw/zinc/02/20/45/469022045.db2.gz UNMWVHWANLCVLJ-HIFRSBDPSA-N 1 0 335.379 2.219 20 5 EEBDRO COC[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000610635760 469023364 /nfs/dbraw/zinc/02/33/64/469023364.db2.gz WKKUGUPVLZXQBQ-ZDUSSCGKSA-N 1 0 330.344 2.032 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000593730502 469112798 /nfs/dbraw/zinc/11/27/98/469112798.db2.gz JSJFPJHSXRGNNE-RISCZKNCSA-N 1 0 341.433 2.041 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000593739413 469118397 /nfs/dbraw/zinc/11/83/97/469118397.db2.gz ZRIVFTKQYOFPAW-UHFFFAOYSA-N 1 0 335.379 2.410 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599137793 469132426 /nfs/dbraw/zinc/13/24/26/469132426.db2.gz DCOCUJKFDCJWOY-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO CC1(C)C[C@@]1(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596070544 469139126 /nfs/dbraw/zinc/13/91/26/469139126.db2.gz RHSKNALFSRMUEM-FUHWJXTLSA-N 1 0 344.415 2.110 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596077692 469142968 /nfs/dbraw/zinc/14/29/68/469142968.db2.gz NQOYKAHUXVDBQJ-CHWSQXEVSA-N 1 0 334.420 2.474 20 5 EEBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000611208167 469192192 /nfs/dbraw/zinc/19/21/92/469192192.db2.gz HLWREOIXTRZRRG-CQSZACIVSA-N 1 0 343.387 2.275 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000602998032 469215145 /nfs/dbraw/zinc/21/51/45/469215145.db2.gz WGEDQLKCVMQKHW-ZACQAIPSSA-N 1 0 347.415 2.183 20 5 EEBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000611337297 469230341 /nfs/dbraw/zinc/23/03/41/469230341.db2.gz ZMOMPNQBJVJYSW-GFCCVEGCSA-N 1 0 329.360 2.200 20 5 EEBDRO C[C@@H](CN1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602508480 469343415 /nfs/dbraw/zinc/34/34/15/469343415.db2.gz NAMCZOCLVUVYBJ-HNNXBMFYSA-N 1 0 347.463 2.423 20 5 EEBDRO CC[C@@H](C)N(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533683 469352611 /nfs/dbraw/zinc/35/26/11/469352611.db2.gz QHMNGPONPMALEG-CQSZACIVSA-N 1 0 335.452 2.279 20 5 EEBDRO C[N@H+](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)CC(C)(C)C ZINC000608886375 469884493 /nfs/dbraw/zinc/88/44/93/469884493.db2.gz CPGOLMGMVNAJAI-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609878240 469968008 /nfs/dbraw/zinc/96/80/08/469968008.db2.gz UBRHLEYEZOGHAS-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209672 469988582 /nfs/dbraw/zinc/98/85/82/469988582.db2.gz WNXASGLVSAMPCX-RISCZKNCSA-N 1 0 332.404 2.382 20 5 EEBDRO CCN(CC[NH3+])C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000602539966 485642977 /nfs/dbraw/zinc/64/29/77/485642977.db2.gz NPZAEDLXOWBYCL-KBPBESRZSA-N 1 0 348.447 2.498 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132828970 534325119 /nfs/dbraw/zinc/32/51/19/534325119.db2.gz SLGWDQRNDVVTOC-HOCLYGCPSA-N 1 0 334.420 2.478 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000183573701 534423072 /nfs/dbraw/zinc/42/30/72/534423072.db2.gz LTVYFSITGUALFC-UHFFFAOYSA-N 1 0 333.392 2.472 20 5 EEBDRO CC[NH+](CC)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181416381 528113757 /nfs/dbraw/zinc/11/37/57/528113757.db2.gz ZFMYPQYFZCVVMZ-UHFFFAOYSA-N 1 0 335.451 2.204 20 5 EEBDRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682798 528242925 /nfs/dbraw/zinc/24/29/25/528242925.db2.gz VNHMHJRPDLJEKI-XJKSGUPXSA-N 1 0 348.403 2.290 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000263881818 536006399 /nfs/dbraw/zinc/00/63/99/536006399.db2.gz BZCVAVNDKDYJDQ-LLVKDONJSA-N 1 0 325.413 2.121 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000426895824 536886283 /nfs/dbraw/zinc/88/62/83/536886283.db2.gz VCKATZNSUDDBJQ-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccc2nc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000727059282 576393840 /nfs/dbraw/zinc/39/38/40/576393840.db2.gz DUMASKKJCHOZLV-MRXNPFEDSA-N 1 0 326.356 2.374 20 5 EEBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521152 576663120 /nfs/dbraw/zinc/66/31/20/576663120.db2.gz BPJGNGUBUZGGEQ-STQMWFEESA-N 1 0 334.420 2.478 20 5 EEBDRO C[NH+]1CCN(CCCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731205817 577086334 /nfs/dbraw/zinc/08/63/34/577086334.db2.gz LUVOCDQYYWEEDT-UHFFFAOYSA-N 1 0 335.433 2.254 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732004614 577141886 /nfs/dbraw/zinc/14/18/86/577141886.db2.gz NTVJIYBLBVIUON-UHFFFAOYSA-N 1 0 346.387 2.150 20 5 EEBDRO CCn1cc(CN(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000733790770 577256781 /nfs/dbraw/zinc/25/67/81/577256781.db2.gz QYPYEGIXMDYOQK-UHFFFAOYSA-N 1 0 341.375 2.159 20 5 EEBDRO Cn1nccc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279121 577456700 /nfs/dbraw/zinc/45/67/00/577456700.db2.gz XHSMUGWAECVNDF-YOEHRIQHSA-N 1 0 330.388 2.241 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581335 577463116 /nfs/dbraw/zinc/46/31/16/577463116.db2.gz CXRUUSSBWODWRS-IRXDYDNUSA-N 1 0 347.415 2.105 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000776590476 577463669 /nfs/dbraw/zinc/46/36/69/577463669.db2.gz GPNSQXNJSASFLF-MSOLQXFVSA-N 1 0 328.368 2.052 20 5 EEBDRO CCCNC(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776592737 577463679 /nfs/dbraw/zinc/46/36/79/577463679.db2.gz YIDZAGBLJUCGNF-MRXNPFEDSA-N 1 0 349.431 2.447 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735369 577485529 /nfs/dbraw/zinc/48/55/29/577485529.db2.gz JGCJEHLSMPLUDY-ROUUACIJSA-N 1 0 346.358 2.361 20 5 EEBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105879 577495057 /nfs/dbraw/zinc/49/50/57/577495057.db2.gz LSHRQSFKHGXEPI-BBRMVZONSA-N 1 0 344.419 2.022 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000765424140 577500778 /nfs/dbraw/zinc/50/07/78/577500778.db2.gz BSDKRQDNEUYHAN-STQMWFEESA-N 1 0 341.408 2.160 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000766970104 577528164 /nfs/dbraw/zinc/52/81/64/577528164.db2.gz OKSVTIKKAUGMAV-JEBQAFNWSA-N 1 0 330.384 2.382 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000768843902 577563894 /nfs/dbraw/zinc/56/38/94/577563894.db2.gz XWYGQUDGXOLIDA-WDEREUQCSA-N 1 0 347.462 2.150 20 5 EEBDRO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC000770692602 577601939 /nfs/dbraw/zinc/60/19/39/577601939.db2.gz OVHNOMQWIJSNHF-OAHLLOKOSA-N 1 0 342.779 2.450 20 5 EEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000749311509 577974454 /nfs/dbraw/zinc/97/44/54/577974454.db2.gz MPSMAPWIKXLCLM-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000749849359 577982974 /nfs/dbraw/zinc/98/29/74/577982974.db2.gz ZJAVDDRMPQTTLX-SNVBAGLBSA-N 1 0 327.768 2.155 20 5 EEBDRO COc1ccc(CC(=O)N(C)CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000890883717 675695610 /nfs/dbraw/zinc/69/56/10/675695610.db2.gz KTKRKWWJHNZDNO-UHFFFAOYSA-N 1 0 337.420 2.192 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000890884153 675696314 /nfs/dbraw/zinc/69/63/14/675696314.db2.gz YLSRSOAFAUZZOQ-UHFFFAOYSA-N 1 0 341.383 2.159 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890885270 675696957 /nfs/dbraw/zinc/69/69/57/675696957.db2.gz BWGRGFZSUAECSZ-UHFFFAOYSA-N 1 0 336.436 2.321 20 5 EEBDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000891383900 676530946 /nfs/dbraw/zinc/53/09/46/676530946.db2.gz XAMVNNCBFFPSJD-RJZRQDKASA-N 1 0 332.404 2.486 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021941918 676555813 /nfs/dbraw/zinc/55/58/13/676555813.db2.gz SETBJGAVCQJLPY-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC000934237096 676912575 /nfs/dbraw/zinc/91/25/75/676912575.db2.gz VRPXSPLKEZPKSE-CYBMUJFWSA-N 1 0 328.372 2.458 20 5 EEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])cnn1C ZINC000892737955 682973820 /nfs/dbraw/zinc/97/38/20/682973820.db2.gz PUIRJQSUHCJYJA-OAHLLOKOSA-N 1 0 329.404 2.287 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])cnn1C ZINC000892737954 682973996 /nfs/dbraw/zinc/97/39/96/682973996.db2.gz PUIRJQSUHCJYJA-HNNXBMFYSA-N 1 0 329.404 2.287 20 5 EEBDRO CC(C)c1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000983654641 683068456 /nfs/dbraw/zinc/06/84/56/683068456.db2.gz PHQKSUVUPUIULT-VDHUWJSZSA-N 1 0 345.443 2.460 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983658106 683084497 /nfs/dbraw/zinc/08/44/97/683084497.db2.gz PXTMBPRVHXTBRW-BNEJOLLZSA-N 1 0 343.427 2.214 20 5 EEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895247921 684384440 /nfs/dbraw/zinc/38/44/40/684384440.db2.gz KERLVWXXPVJWGR-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO Cc1nocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000984724468 685074755 /nfs/dbraw/zinc/07/47/55/685074755.db2.gz AFEGRRPSJDRRAV-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909611984 687130335 /nfs/dbraw/zinc/13/03/35/687130335.db2.gz AQUDHHAOOAVAJM-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893447504 687592702 /nfs/dbraw/zinc/59/27/02/687592702.db2.gz GTGRZRMRRVVKBQ-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000989909401 692455282 /nfs/dbraw/zinc/45/52/82/692455282.db2.gz VMIOERJUCSFLRW-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001034643239 1196464084 /nfs/dbraw/zinc/46/40/84/1196464084.db2.gz KYPSGSZDEKBLRI-QBPKDAKJSA-N 1 0 331.416 2.177 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)O1 ZINC000865427249 1198211817 /nfs/dbraw/zinc/21/18/17/1198211817.db2.gz BNSQZYTUCSWUSR-TXEJJXNPSA-N 1 0 341.383 2.137 20 5 EEBDRO COC(=O)[C@@]1(C)C[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000872635793 1198294960 /nfs/dbraw/zinc/29/49/60/1198294960.db2.gz WKLYPMXYBCHBBK-GTNSWQLSSA-N 1 0 346.387 2.341 20 5 EEBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cccc1[N+](=O)[O-] ZINC000873102829 1198500741 /nfs/dbraw/zinc/50/07/41/1198500741.db2.gz AXDHEYMNGPSFBM-UHFFFAOYSA-N 1 0 325.368 2.479 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001134215698 1199393433 /nfs/dbraw/zinc/39/34/33/1199393433.db2.gz JAQAHWOVGHAPKN-UHFFFAOYSA-N 1 0 331.294 2.143 20 5 EEBDRO CC[S@@](=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877042384 1199852673 /nfs/dbraw/zinc/85/26/73/1199852673.db2.gz VMQCXPSSMCZRKF-QGZVFWFLSA-N 1 0 341.252 2.277 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000877125578 1199866404 /nfs/dbraw/zinc/86/64/04/1199866404.db2.gz PPZCSABHRJKEPY-WMZOPIPTSA-N 1 0 330.384 2.212 20 5 EEBDRO C[C@@H]1CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877153359 1199871216 /nfs/dbraw/zinc/87/12/16/1199871216.db2.gz HJKNJXDKPOBEEP-CQSZACIVSA-N 1 0 333.436 2.033 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961164 1201324028 /nfs/dbraw/zinc/32/40/28/1201324028.db2.gz ADMMIHCPMKINQW-CHWSQXEVSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)COCC1CC1 ZINC000866252318 1201476251 /nfs/dbraw/zinc/47/62/51/1201476251.db2.gz WXDPUKMKIXAOFI-NHYWBVRUSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000866261441 1201479321 /nfs/dbraw/zinc/47/93/21/1201479321.db2.gz TWIGDAVPOLVMIX-DAXOMENPSA-N 1 0 337.395 2.118 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CCCO ZINC000866364144 1201500782 /nfs/dbraw/zinc/50/07/82/1201500782.db2.gz AWXFBVRNXBISKM-CZUORRHYSA-N 1 0 339.411 2.101 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866707462 1201585850 /nfs/dbraw/zinc/58/58/50/1201585850.db2.gz ADOKWJVXDHPHIL-ZFWWWQNUSA-N 1 0 335.379 2.219 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882054897 1201808941 /nfs/dbraw/zinc/80/89/41/1201808941.db2.gz BJHSTWQYCRLDSN-UHFFFAOYSA-N 1 0 326.372 2.066 20 5 EEBDRO C[N@H+](CCCn1ccnc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130576865 1201984274 /nfs/dbraw/zinc/98/42/74/1201984274.db2.gz SVDKITINYWCLHO-UHFFFAOYSA-N 1 0 341.375 2.029 20 5 EEBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000131255494 1202033629 /nfs/dbraw/zinc/03/36/29/1202033629.db2.gz SCKNLCXFDDMZAA-QWRGUYRKSA-N 1 0 326.194 2.009 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000884350947 1202299367 /nfs/dbraw/zinc/29/93/67/1202299367.db2.gz GGHKQMIDNOSFJJ-MNOVXSKESA-N 1 0 331.294 2.469 20 5 EEBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000886424093 1202506638 /nfs/dbraw/zinc/50/66/38/1202506638.db2.gz ZIEPILXKIHOUHE-IAGOWNOFSA-N 1 0 332.404 2.009 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795707697 1215000779 /nfs/dbraw/zinc/00/07/79/1215000779.db2.gz OPEQNOQVZUZXNQ-CZUORRHYSA-N 1 0 329.404 2.461 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC000957547849 1215200533 /nfs/dbraw/zinc/20/05/33/1215200533.db2.gz SFXOTCHPNGWNLF-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cs1 ZINC001212971519 1216616114 /nfs/dbraw/zinc/61/61/14/1216616114.db2.gz XCTDJPXCNZADHU-UHFFFAOYSA-N 1 0 329.341 2.414 20 5 EEBDRO COC(=O)CC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000112959082 1226369222 /nfs/dbraw/zinc/36/92/22/1226369222.db2.gz LHDQQCPLMJCQIY-UHFFFAOYSA-N 1 0 347.375 2.084 20 5 EEBDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001020138911 1229505088 /nfs/dbraw/zinc/50/50/88/1229505088.db2.gz HPCIRNHAMQUPOP-KCYZZUKISA-N 1 0 331.416 2.014 20 5 EEBDRO CC[C@@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641176 1234597860 /nfs/dbraw/zinc/59/78/60/1234597860.db2.gz MZYRFCFZYULRLC-SNVBAGLBSA-N 1 0 340.181 2.407 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097054131 1243633941 /nfs/dbraw/zinc/63/39/41/1243633941.db2.gz LVNVFUOAMWUEIZ-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097056721 1243669765 /nfs/dbraw/zinc/66/97/65/1243669765.db2.gz ICYMZEABJWWZIN-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC001097230882 1243855131 /nfs/dbraw/zinc/85/51/31/1243855131.db2.gz CKZKEXDYTKJOCV-BETUJISGSA-N 1 0 349.435 2.088 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627648 1278154440 /nfs/dbraw/zinc/15/44/40/1278154440.db2.gz FRWYDLZBVAWCOA-NSHDSACASA-N 1 0 328.372 2.056 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000154697488 1278997994 /nfs/dbraw/zinc/99/79/94/1278997994.db2.gz BACCVIZWNUTPNG-ZDUSSCGKSA-N 1 0 334.420 2.170 20 5 EEBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Br)c1 ZINC001225815084 1301163050 /nfs/dbraw/zinc/16/30/50/1301163050.db2.gz ASSRWNJTDJVXKN-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO CC[C@@H](C)[N@H+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852293566 1292078085 /nfs/dbraw/zinc/07/80/85/1292078085.db2.gz OHERXTGBICCJLI-OAHLLOKOSA-N 1 0 348.447 2.364 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](OCCC[N+](C)(C)C)[C@H]2OCC[C@@H]21 ZINC001224620385 1300671684 /nfs/dbraw/zinc/67/16/84/1300671684.db2.gz XRQUXSQNACXCRO-JYJNAYRXSA-N 1 0 343.488 2.266 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893860 1301191577 /nfs/dbraw/zinc/19/15/77/1301191577.db2.gz ZZHHZNWJVSBZGT-SNVBAGLBSA-N 1 0 335.282 2.108 20 5 EEBDRO CC(C)OCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226176527 1301286268 /nfs/dbraw/zinc/28/62/68/1301286268.db2.gz CPPJHMOCELBRFW-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ncc(Br)cc21 ZINC001227772733 1301960641 /nfs/dbraw/zinc/96/06/41/1301960641.db2.gz IHDWTTDWKBBKPY-VIFPVBQESA-N 1 0 326.218 2.261 20 5 EEBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228140005 1302121414 /nfs/dbraw/zinc/12/14/14/1302121414.db2.gz DIAIHHRJOZOCEI-NWDGAFQWSA-N 1 0 345.359 2.090 20 5 EEBDRO O=c1[nH]cnc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001228140726 1302121840 /nfs/dbraw/zinc/12/18/40/1302121840.db2.gz MLAVROHMQOXCPL-GFCCVEGCSA-N 1 0 348.334 2.273 20 5 EEBDRO CC(=O)Nc1cc(O[C@H](C)C[N+](C)(C)C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128067 1302633090 /nfs/dbraw/zinc/63/30/90/1302633090.db2.gz KEPHTMAPCSFETL-SNVBAGLBSA-O 1 0 338.384 2.229 20 5 EEBDRO COc1ccc(-c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2)cc1 ZINC001229153334 1302645160 /nfs/dbraw/zinc/64/51/60/1302645160.db2.gz DLQXTLFEVCZZIJ-MRXNPFEDSA-N 1 0 345.419 2.120 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229918634 1302986644 /nfs/dbraw/zinc/98/66/44/1302986644.db2.gz AGMZFORKZORNKZ-CQSZACIVSA-N 1 0 338.424 2.005 20 5 EEBDRO CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763088 1303438550 /nfs/dbraw/zinc/43/85/50/1303438550.db2.gz QUKLWAYQHDWNTC-IAGOWNOFSA-N 1 0 346.431 2.021 20 5 EEBDRO CC(=O)c1cc2c(cc1OC(=O)C[C@@H](O)C[N+](C)(C)C)CCCC2 ZINC001230787435 1303457317 /nfs/dbraw/zinc/45/73/17/1303457317.db2.gz ZGQOXHZNCUFZTL-MRXNPFEDSA-N 1 0 334.436 2.131 20 5 EEBDRO CC(=O)CCCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233896954 1304632228 /nfs/dbraw/zinc/63/22/28/1304632228.db2.gz TWGLZVNYWIVRJQ-UHFFFAOYSA-N 1 0 335.404 2.292 20 5 EEBDRO O=C(NCC1([NH2+]Cc2ccccc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530798 1305286602 /nfs/dbraw/zinc/28/66/02/1305286602.db2.gz RYTYQKCSRUOGDX-GDBMZVCRSA-N 1 0 349.406 2.400 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001119075339 1308985888 /nfs/dbraw/zinc/98/58/88/1308985888.db2.gz FMTGZIFRVSXEDK-TVQRCGJNSA-N 1 0 333.779 2.380 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)nc12 ZINC001248352098 1310894575 /nfs/dbraw/zinc/89/45/75/1310894575.db2.gz IKUDVEGFPKDCJP-CQSZACIVSA-N 1 0 347.378 2.364 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840151355 1315310755 /nfs/dbraw/zinc/31/07/55/1315310755.db2.gz GAEBPQAHGGXPNL-MRXNPFEDSA-N 1 0 344.419 2.225 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000843353903 1315897993 /nfs/dbraw/zinc/89/79/93/1315897993.db2.gz QFZGGTOMEXDMJQ-IINYFYTJSA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843376900 1315903757 /nfs/dbraw/zinc/90/37/57/1315903757.db2.gz GOLMZRFEFBYCFT-MFKMUULPSA-N 1 0 340.811 2.246 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001155229467 1317513010 /nfs/dbraw/zinc/51/30/10/1317513010.db2.gz BXHAVHYPPDVBMP-ZDUSSCGKSA-N 1 0 338.408 2.150 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001155300964 1317543801 /nfs/dbraw/zinc/54/38/01/1317543801.db2.gz YSMHYXMEFUJLQI-LBPRGKRZSA-N 1 0 342.355 2.188 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NCc3noc4c3C[NH2+]CC4)nc2c1 ZINC001155497131 1317624212 /nfs/dbraw/zinc/62/42/12/1317624212.db2.gz HDBNAXWFMZDTLD-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO Cc1nc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)ncc1[N+](=O)[O-] ZINC001156221428 1317927861 /nfs/dbraw/zinc/92/78/61/1317927861.db2.gz QKHMFUDBAMMRLD-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO COC(=O)CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469770 1318083150 /nfs/dbraw/zinc/08/31/50/1318083150.db2.gz FJAAFNMIBFVYGI-UHFFFAOYSA-N 1 0 335.404 2.497 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001254571248 1318126767 /nfs/dbraw/zinc/12/67/67/1318126767.db2.gz RDSXXRWBPPPPRS-WBVHZDCISA-N 1 0 333.432 2.322 20 5 EEBDRO COc1cccc(C[C@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254579898 1318129757 /nfs/dbraw/zinc/12/97/57/1318129757.db2.gz WVPNJFKWJIOFAN-DLBZAZTESA-N 1 0 342.395 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCN(CC3CCOCC3)C1)C2 ZINC001254583991 1318132286 /nfs/dbraw/zinc/13/22/86/1318132286.db2.gz FROYETZRKMIDSL-MSOLQXFVSA-N 1 0 345.443 2.153 20 5 EEBDRO O=C1CCC[C@@]2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594580 1318138028 /nfs/dbraw/zinc/13/80/28/1318138028.db2.gz GEMHRGRNYAHOEP-WMZOPIPTSA-N 1 0 329.400 2.197 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157435545 1318638889 /nfs/dbraw/zinc/63/88/89/1318638889.db2.gz QZBZYHALBCHJGG-INIZCTEOSA-N 1 0 342.399 2.295 20 5 EEBDRO COc1cc(C)nc(N2CCN(c3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC001158104510 1319016753 /nfs/dbraw/zinc/01/67/53/1319016753.db2.gz CGDALFPAFGDLJK-UHFFFAOYSA-N 1 0 343.387 2.337 20 5 EEBDRO Nc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ncc1[N+](=O)[O-] ZINC001158137618 1319038374 /nfs/dbraw/zinc/03/83/74/1319038374.db2.gz XGCIWVBGKOKOCD-UHFFFAOYSA-N 1 0 346.778 2.456 20 5 EEBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC001258018827 1319132113 /nfs/dbraw/zinc/13/21/13/1319132113.db2.gz GRRKINKNZPWBMY-VXGBXAGGSA-N 1 0 332.360 2.297 20 5 EEBDRO COc1ncc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160114828 1320073902 /nfs/dbraw/zinc/07/39/02/1320073902.db2.gz ZNHPLZGEZHPBKX-UHFFFAOYSA-N 1 0 347.350 2.291 20 5 EEBDRO [NH3+]Cc1nc2cnccc2n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001162214489 1320785476 /nfs/dbraw/zinc/78/54/76/1320785476.db2.gz HLAKYGIMVKNWBU-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001162587789 1320905420 /nfs/dbraw/zinc/90/54/20/1320905420.db2.gz XLWASQCRGDKJIP-MRXNPFEDSA-N 1 0 339.367 2.204 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001162690052 1320931584 /nfs/dbraw/zinc/93/15/84/1320931584.db2.gz HPKRBSBTHIJOPH-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163321251 1321097168 /nfs/dbraw/zinc/09/71/68/1321097168.db2.gz CADQKRKINYONBZ-YVEFUNNKSA-N 1 0 349.387 2.095 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccon1 ZINC001163604515 1321168877 /nfs/dbraw/zinc/16/88/77/1321168877.db2.gz PUDUPHUVGJNNBX-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO COc1nc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001163668815 1321186731 /nfs/dbraw/zinc/18/67/31/1321186731.db2.gz FBVBWCKTZKHQMB-OAHLLOKOSA-N 1 0 328.372 2.492 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163904921 1321243843 /nfs/dbraw/zinc/24/38/43/1321243843.db2.gz KUMOZRACWKVXJC-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO Cc1cc(Cl)nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165429613 1321524537 /nfs/dbraw/zinc/52/45/37/1321524537.db2.gz JWFSVERDXLPHAZ-VHSXEESVSA-N 1 0 328.775 2.465 20 5 EEBDRO Cc1ncccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165450667 1321528402 /nfs/dbraw/zinc/52/84/02/1321528402.db2.gz DVEQYAYPPPOUBK-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001166700914 1321769354 /nfs/dbraw/zinc/76/93/54/1321769354.db2.gz ABODEIBIHCCFLM-ZDUSSCGKSA-N 1 0 336.355 2.233 20 5 EEBDRO [NH3+][C@@H]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1(F)F ZINC001166962162 1321826137 /nfs/dbraw/zinc/82/61/37/1321826137.db2.gz SWBWDBPQHURIER-LLVKDONJSA-N 1 0 343.721 2.364 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001262558216 1322322644 /nfs/dbraw/zinc/32/26/44/1322322644.db2.gz YBJMWNHMJWGVBH-INIZCTEOSA-N 1 0 346.343 2.238 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000843323530 1367739559 /nfs/dbraw/zinc/73/95/59/1367739559.db2.gz WIZQBSMHJOVODK-YUMQZZPRSA-N 1 0 337.348 2.129 20 5 EEBDRO COc1c(O)ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)c1[N+](=O)[O-] ZINC001308783923 1331605406 /nfs/dbraw/zinc/60/54/06/1331605406.db2.gz XVXLPOYTSCIOIB-UHFFFAOYSA-N 1 0 342.355 2.486 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC2(C1)OCCO2 ZINC001308932954 1331609334 /nfs/dbraw/zinc/60/93/34/1331609334.db2.gz USKNVKCWTWQCDQ-LBPRGKRZSA-N 1 0 349.387 2.055 20 5 EEBDRO C[NH2+]C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC001310159098 1331659050 /nfs/dbraw/zinc/65/90/50/1331659050.db2.gz BFOAAIUGURJRDY-UHFFFAOYSA-N 1 0 344.318 2.460 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001320212995 1332849093 /nfs/dbraw/zinc/84/90/93/1332849093.db2.gz QVXBGJOIHFYPJU-GFCCVEGCSA-N 1 0 330.344 2.366 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001325962292 1334007663 /nfs/dbraw/zinc/00/76/63/1334007663.db2.gz XTSOMKMRLAFUBM-OAHLLOKOSA-N 1 0 332.404 2.241 20 5 EEBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001358477235 1339044865 /nfs/dbraw/zinc/04/48/65/1339044865.db2.gz YHLGEBPODGPLRF-GFCCVEGCSA-N 1 0 328.372 2.405 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001576017802 1343947215 /nfs/dbraw/zinc/94/72/15/1343947215.db2.gz YMKLZMXWWDJNIO-OLZOCXBDSA-N 1 0 334.420 2.467 20 5 EEBDRO CN(C)c1cccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001578426751 1344278230 /nfs/dbraw/zinc/27/82/30/1344278230.db2.gz DQWUHBMBSLDTRD-SFHVURJKSA-N 1 0 342.399 2.151 20 5 EEBDRO C[C@H](CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831442 1349052847 /nfs/dbraw/zinc/05/28/47/1349052847.db2.gz YQOFVUZGAVVDAI-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001590376953 1349293026 /nfs/dbraw/zinc/29/30/26/1349293026.db2.gz CSWKGMLKOVILLM-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001603295066 1350681749 /nfs/dbraw/zinc/68/17/49/1350681749.db2.gz RXJGXXNHNOYIIQ-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1F ZINC001100576427 1367065922 /nfs/dbraw/zinc/06/59/22/1367065922.db2.gz BWVQZHHXRYONIO-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921052 1368095938 /nfs/dbraw/zinc/09/59/38/1368095938.db2.gz MUYLEVAJYUTWNM-LLVKDONJSA-N 1 0 335.408 2.419 20 5 EEBDRO CC[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000853686044 1369368030 /nfs/dbraw/zinc/36/80/30/1369368030.db2.gz DOIKJCWTYYRBGB-LBPRGKRZSA-N 1 0 332.404 2.400 20 5 EEBDRO CO[C@]1(C)CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000794653683 1369596283 /nfs/dbraw/zinc/59/62/83/1369596283.db2.gz DXAJCOIVDIMGFF-QGZVFWFLSA-N 1 0 348.403 2.295 20 5 EEBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886837592 1369681702 /nfs/dbraw/zinc/68/17/02/1369681702.db2.gz JSODQVLXLCFPSF-HNNXBMFYSA-N 1 0 328.372 2.145 20 5 EEBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092304 1371273832 /nfs/dbraw/zinc/27/38/32/1371273832.db2.gz UGULNNOYZWEEES-PXAZEXFGSA-N 1 0 332.356 2.172 20 5 EEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117959558 1371768521 /nfs/dbraw/zinc/76/85/21/1371768521.db2.gz JWJNBXIIGYBCIZ-UHFFFAOYSA-N 1 0 339.355 2.183 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832495989 1372447758 /nfs/dbraw/zinc/44/77/58/1372447758.db2.gz LEMKRPZAXSMWBF-CHWSQXEVSA-N 1 0 336.348 2.024 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001578275773 1403730950 /nfs/dbraw/zinc/73/09/50/1403730950.db2.gz ZBISRGCAJGZRCI-HNNXBMFYSA-N 1 0 328.372 2.290 20 5 EEBDRO COCC[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001579040532 1403777455 /nfs/dbraw/zinc/77/74/55/1403777455.db2.gz YAXYRJYFPQKGEZ-UHFFFAOYSA-N 1 0 343.383 2.364 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000090111966 719478781 /nfs/dbraw/zinc/47/87/81/719478781.db2.gz NKKBVQUROHIIPU-JKSUJKDBSA-N 1 0 340.383 2.176 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091350413 790345877 /nfs/dbraw/zinc/34/58/77/790345877.db2.gz REILMVJZOVYLIC-OKILXGFUSA-N 1 0 334.420 2.242 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000178589566 779573219 /nfs/dbraw/zinc/57/32/19/779573219.db2.gz XDTUTVIZXLPAGJ-SNVBAGLBSA-N 1 0 332.385 2.139 20 5 EEBDRO COc1c(O)ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1[N+](=O)[O-] ZINC000893942219 780323427 /nfs/dbraw/zinc/32/34/27/780323427.db2.gz ZVSBRZTXKHJEHQ-SNVBAGLBSA-N 1 0 338.282 2.366 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000809769004 783340086 /nfs/dbraw/zinc/34/00/86/783340086.db2.gz ACBLROFBYKKVEI-NSHDSACASA-N 1 0 332.809 2.163 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1cccc(Br)c1[N+](=O)[O-])C1CC1 ZINC000905981689 783615511 /nfs/dbraw/zinc/61/55/11/783615511.db2.gz WYQREUMIHMTDSP-SNVBAGLBSA-N 1 0 345.193 2.191 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170875278 784903539 /nfs/dbraw/zinc/90/35/39/784903539.db2.gz RVDQBJNOISHHJD-MWLCHTKSSA-N 1 0 327.768 2.120 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000818950450 785339447 /nfs/dbraw/zinc/33/94/47/785339447.db2.gz WZSYSOWLLDNITA-UWVGGRQHSA-N 1 0 335.187 2.118 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000823305593 787664259 /nfs/dbraw/zinc/66/42/59/787664259.db2.gz KHFHSRSYTNXAJT-HNNXBMFYSA-N 1 0 335.404 2.260 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923442252 789568986 /nfs/dbraw/zinc/56/89/86/789568986.db2.gz MCTQCWBWDIHJLL-GRYCIOLGSA-N 1 0 331.376 2.216 20 5 EEBDRO Cc1nc[nH]c1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997435482 789904882 /nfs/dbraw/zinc/90/48/82/789904882.db2.gz HFRNKLFINGMEDY-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173499511 791862344 /nfs/dbraw/zinc/86/23/44/791862344.db2.gz OTRQLXZNCIKDJH-CQSZACIVSA-N 1 0 344.419 2.084 20 5 EEBDRO Cc1c(C(=O)NCC[NH2+]C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000174250714 792046179 /nfs/dbraw/zinc/04/61/79/792046179.db2.gz YRAFHFWTNWPLKB-UHFFFAOYSA-N 1 0 338.364 2.238 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncnc2sc([N+](=O)[O-])cc21 ZINC001171399347 794715151 /nfs/dbraw/zinc/71/51/51/794715151.db2.gz HXAODAMERPXQDX-VIFPVBQESA-N 1 0 343.368 2.457 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)N1CCCC1 ZINC001172900762 797128868 /nfs/dbraw/zinc/12/88/68/797128868.db2.gz ZJWPGLDETPUOEZ-INIZCTEOSA-N 1 0 331.416 2.444 20 5 EEBDRO CCOC(=O)CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172899747 797129125 /nfs/dbraw/zinc/12/91/25/797129125.db2.gz CECBXAVEWKSAAM-OAHLLOKOSA-N 1 0 348.399 2.154 20 5 EEBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902116 797129574 /nfs/dbraw/zinc/12/95/74/797129574.db2.gz VLTWOGTZOUOZPY-DZKIICNBSA-N 1 0 338.429 2.007 20 5 EEBDRO CN(C1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@H]1CCOC1 ZINC001172913786 797148268 /nfs/dbraw/zinc/14/82/68/797148268.db2.gz VBOVTWSWTAIVLC-WMZOPIPTSA-N 1 0 345.443 2.247 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCC3COC3)CC2)c(F)c1 ZINC001173008307 797195319 /nfs/dbraw/zinc/19/53/19/797195319.db2.gz SPKRWNWNSCFJNK-UHFFFAOYSA-N 1 0 341.358 2.468 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H](O)C3CC3)CC2)c(F)c1 ZINC001173008591 797195561 /nfs/dbraw/zinc/19/55/61/797195561.db2.gz GZAXXTDPGZEHHY-HNNXBMFYSA-N 1 0 341.358 2.202 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CCO3)CC2)c(F)c1 ZINC001173012719 797196446 /nfs/dbraw/zinc/19/64/46/797196446.db2.gz XFBQPMBTHVIUGV-LBPRGKRZSA-N 1 0 327.331 2.220 20 5 EEBDRO COC(=O)CCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177067 797277038 /nfs/dbraw/zinc/27/70/38/797277038.db2.gz NSDQYMCGZBIEHT-SNVBAGLBSA-N 1 0 328.340 2.216 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@](C)(C(N)=O)C(C)C)c1F ZINC001173180600 797278493 /nfs/dbraw/zinc/27/84/93/797278493.db2.gz XBDWWKVIOLZBSS-QFYYESIMSA-N 1 0 341.383 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C[C@@](C)(O)C2)c1F ZINC001173180966 797279652 /nfs/dbraw/zinc/27/96/52/797279652.db2.gz AEDPRGQSJRTSTG-XMZIXOGTSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2nccnc2C[NH3+])c1F ZINC001173184185 797280619 /nfs/dbraw/zinc/28/06/19/797280619.db2.gz OWVUOUFIGMZVMA-SECBINFHSA-N 1 0 335.339 2.034 20 5 EEBDRO CCOC(=O)CN1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221337 797302323 /nfs/dbraw/zinc/30/23/23/797302323.db2.gz LZHDDDIZNMLTSF-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001173225524 797309916 /nfs/dbraw/zinc/30/99/16/797309916.db2.gz DHLQHKWTQPRLTN-DOMZBBRYSA-N 1 0 327.388 2.499 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001173233324 797312142 /nfs/dbraw/zinc/31/21/42/797312142.db2.gz KYWMVNMPDAECMD-KRWDZBQOSA-N 1 0 346.475 2.239 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001095241322 797577640 /nfs/dbraw/zinc/57/76/40/797577640.db2.gz BFPXBTBUFKLYEP-UHFFFAOYSA-N 1 0 349.435 2.123 20 5 EEBDRO CCc1cccc(NC(=O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000916570790 797655589 /nfs/dbraw/zinc/65/55/89/797655589.db2.gz VIYZSOXSHLFOSA-KRWDZBQOSA-N 1 0 343.383 2.419 20 5 EEBDRO Cc1cnc(NC2(CNC(=O)CCCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001110187354 798145015 /nfs/dbraw/zinc/14/50/15/798145015.db2.gz AWIFDTQWVKQXFB-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001176161387 798374424 /nfs/dbraw/zinc/37/44/24/798374424.db2.gz OXDVGLPFPOOMJG-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CC(=O)NCCCCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001112641323 806915216 /nfs/dbraw/zinc/91/52/16/806915216.db2.gz NSZCECAOZVWPTJ-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1 ZINC000946589105 801552334 /nfs/dbraw/zinc/55/23/34/801552334.db2.gz GHCHWYRHIDKPPN-YYIAUSFCSA-N 1 0 335.448 2.012 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001086012598 801930342 /nfs/dbraw/zinc/93/03/42/801930342.db2.gz GCVZNLVYJABYKA-FZNQNYSPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCC1 ZINC001086040298 801989791 /nfs/dbraw/zinc/98/97/91/801989791.db2.gz BHIVIMQWUNAVTP-FZNQNYSPSA-N 1 0 345.399 2.274 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962984 803551711 /nfs/dbraw/zinc/55/17/11/803551711.db2.gz NMRLHFCRWBCGLX-RQJABVFESA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)C1 ZINC001168969057 803553288 /nfs/dbraw/zinc/55/32/88/803553288.db2.gz BSGCGSIPQIHFIB-UKRRQHHQSA-N 1 0 335.404 2.174 20 5 EEBDRO COc1ccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001169000593 803565778 /nfs/dbraw/zinc/56/57/78/803565778.db2.gz XWEYKIOJQIDDSV-GJZGRUSLSA-N 1 0 349.431 2.173 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ncccc2Br)C1 ZINC001169001519 803566505 /nfs/dbraw/zinc/56/65/05/803566505.db2.gz GUNYEUHPHVMDBD-GHMZBOCLSA-N 1 0 328.210 2.422 20 5 EEBDRO CCOC(=O)c1ncn2c1cccc2C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008219 803569347 /nfs/dbraw/zinc/56/93/47/803569347.db2.gz SDUMXDGORAVTQO-CHWSQXEVSA-N 1 0 346.387 2.046 20 5 EEBDRO COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001168990305 803573791 /nfs/dbraw/zinc/57/37/91/803573791.db2.gz BMHZQWMFRFRIHV-ULQDDVLXSA-N 1 0 333.432 2.305 20 5 EEBDRO COc1cccc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169054984 803597273 /nfs/dbraw/zinc/59/72/73/803597273.db2.gz OTKAFGNWNGXXDK-ZFWWWQNUSA-N 1 0 334.420 2.094 20 5 EEBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001169060889 803598872 /nfs/dbraw/zinc/59/88/72/803598872.db2.gz XPBBJQHZGDBRHU-UHFFFAOYSA-N 1 0 333.344 2.106 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2CCCc3ccc(C[NH3+])nc32)c1 ZINC001169591380 803864735 /nfs/dbraw/zinc/86/47/35/803864735.db2.gz VSLZGXJSNFIXIE-UHFFFAOYSA-N 1 0 342.355 2.319 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCCCO)CC1 ZINC000787406488 807118894 /nfs/dbraw/zinc/11/88/94/807118894.db2.gz ODAJASLSVANGHK-DTQAZKPQSA-N 1 0 333.432 2.388 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000789509906 808033392 /nfs/dbraw/zinc/03/33/92/808033392.db2.gz WGLANSZYSMDUCW-HOTGVXAUSA-N 1 0 343.387 2.454 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170353428 809902080 /nfs/dbraw/zinc/90/20/80/809902080.db2.gz YAVBVBZZPCPUFT-LBPRGKRZSA-N 1 0 349.387 2.109 20 5 EEBDRO CCc1cnccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130608091 811838779 /nfs/dbraw/zinc/83/87/79/811838779.db2.gz SRKUOMPPGAIFOY-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC001170515743 812045733 /nfs/dbraw/zinc/04/57/33/812045733.db2.gz NJNVCQMRHOUBSZ-UHFFFAOYSA-N 1 0 325.752 2.471 20 5 EEBDRO CCc1cncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001131375123 812752630 /nfs/dbraw/zinc/75/26/30/812752630.db2.gz SNSPKSOQIJDILN-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000078617811 282256752 /nfs/dbraw/zinc/25/67/52/282256752.db2.gz IOVREGOZBPOZDX-AWEZNQCLSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130200465 223132465 /nfs/dbraw/zinc/13/24/65/223132465.db2.gz QRMJMXPVCRZKAW-QWRGUYRKSA-N 1 0 341.795 2.131 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000072580390 216276759 /nfs/dbraw/zinc/27/67/59/216276759.db2.gz FEWPZFYUOHIHOG-SJLPKXTDSA-N 1 0 342.399 2.304 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422736898 240202463 /nfs/dbraw/zinc/20/24/63/240202463.db2.gz YRMADTPQKOBMRO-IAQYHMDHSA-N 1 0 349.387 2.113 20 5 EEBDRO COc1cccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000423517103 240514853 /nfs/dbraw/zinc/51/48/53/240514853.db2.gz ULNCBRFSMDGOEF-NSHDSACASA-N 1 0 342.355 2.067 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000426888673 241353090 /nfs/dbraw/zinc/35/30/90/241353090.db2.gz IZEKJVCLQPNHLN-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451699296 243209588 /nfs/dbraw/zinc/20/95/88/243209588.db2.gz UUEXONUFHOWALS-TUVASFSCSA-N 1 0 347.415 2.405 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079318240 217208625 /nfs/dbraw/zinc/20/86/25/217208625.db2.gz ORKODHHINDHHMM-HNNXBMFYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC[NH+]1CCN(CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074014 220239589 /nfs/dbraw/zinc/23/95/89/220239589.db2.gz NHOCWJOWGBGFJW-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494705087 247008276 /nfs/dbraw/zinc/00/82/76/247008276.db2.gz XZEVASGLEGDWCS-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000265137067 247237682 /nfs/dbraw/zinc/23/76/82/247237682.db2.gz OZRKMSHANZWLGR-UHFFFAOYSA-N 1 0 332.404 2.012 20 5 EEBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521102 248343081 /nfs/dbraw/zinc/34/30/81/248343081.db2.gz CPNGUUVVCUEBIG-ABAIWWIYSA-N 1 0 338.795 2.499 20 5 EEBDRO COC(=O)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000266523901 248344712 /nfs/dbraw/zinc/34/47/12/248344712.db2.gz JNSBSWBFRAEMDD-UHFFFAOYSA-N 1 0 340.376 2.256 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000186783206 533140408 /nfs/dbraw/zinc/14/04/08/533140408.db2.gz NANNISJBUABXIG-BXUZGUMPSA-N 1 0 334.376 2.161 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000154342195 533213094 /nfs/dbraw/zinc/21/30/94/533213094.db2.gz GKZZVHVYYXDBBW-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269376536 255572060 /nfs/dbraw/zinc/57/20/60/255572060.db2.gz NTILJKSFXLLOIU-LLVKDONJSA-N 1 0 342.827 2.172 20 5 EEBDRO Nc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000267193070 256036242 /nfs/dbraw/zinc/03/62/42/256036242.db2.gz LMDDBUVGJWHXMW-CQSZACIVSA-N 1 0 340.383 2.181 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268140441 256118387 /nfs/dbraw/zinc/11/83/87/256118387.db2.gz KEKSSDATBGCSBG-ZWNOBZJWSA-N 1 0 334.376 2.061 20 5 EEBDRO Cc1cc(N2CCC[C@H](OCCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272863985 256245061 /nfs/dbraw/zinc/24/50/61/256245061.db2.gz RBXWYRUHJBSHHP-AWEZNQCLSA-N 1 0 331.372 2.429 20 5 EEBDRO CCOc1cccc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000273872891 256334275 /nfs/dbraw/zinc/33/42/75/256334275.db2.gz OYDOTWVCTRHZNE-GXTWGEPZSA-N 1 0 325.434 2.475 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277188277 256505026 /nfs/dbraw/zinc/50/50/26/256505026.db2.gz OKPXLXXYGDCWRT-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000156271640 224595332 /nfs/dbraw/zinc/59/53/32/224595332.db2.gz GKUKOONPBMAHJE-YPMHNXCESA-N 1 0 332.404 2.369 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000192463567 533411159 /nfs/dbraw/zinc/41/11/59/533411159.db2.gz HGTVNCZIUCQWTR-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO NC(=O)C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000119874247 292248931 /nfs/dbraw/zinc/24/89/31/292248931.db2.gz ANNYQLPZANPNQR-ZDUSSCGKSA-N 1 0 341.795 2.008 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000173848082 152202153 /nfs/dbraw/zinc/20/21/53/152202153.db2.gz YYYRLHYGGRMCQP-IAGOWNOFSA-N 1 0 346.431 2.116 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132025 159015881 /nfs/dbraw/zinc/01/58/81/159015881.db2.gz YOOOJLQQXTWTEA-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087057039 159171522 /nfs/dbraw/zinc/17/15/22/159171522.db2.gz ZDWPNYWLMJQWKL-AWEZNQCLSA-N 1 0 346.431 2.394 20 5 EEBDRO [NH3+]C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000178156146 159894915 /nfs/dbraw/zinc/89/49/15/159894915.db2.gz AWPGFBGEYLTABT-UHFFFAOYSA-N 1 0 333.388 2.236 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245393480 160231089 /nfs/dbraw/zinc/23/10/89/160231089.db2.gz DAHQWHLJYLVXQQ-XJKSGUPXSA-N 1 0 332.404 2.092 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245901458 160256765 /nfs/dbraw/zinc/25/67/65/160256765.db2.gz DRXDLWFXIFABQO-DOTOQJQBSA-N 1 0 346.431 2.263 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000246427102 160277953 /nfs/dbraw/zinc/27/79/53/160277953.db2.gz AUOKGUJEEIZKAH-XJKSGUPXSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c2c(c1)COCO2 ZINC000246938825 160301497 /nfs/dbraw/zinc/30/14/97/160301497.db2.gz WUIGSZDKKMSBGU-BLLLJJGKSA-N 1 0 334.372 2.462 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCC[NH+]1CCCC1 ZINC000337284581 160622785 /nfs/dbraw/zinc/62/27/85/160622785.db2.gz ZAIWELVRNDTXER-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340413126 160928976 /nfs/dbraw/zinc/92/89/76/160928976.db2.gz OZYXKDHKFSCALC-SVGFKBNWSA-N 1 0 334.416 2.436 20 5 EEBDRO Cn1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000344447020 161228663 /nfs/dbraw/zinc/22/86/63/161228663.db2.gz QLGIYIZOPOLESX-CQSZACIVSA-N 1 0 334.351 2.105 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccn1 ZINC000345314676 161291219 /nfs/dbraw/zinc/29/12/19/161291219.db2.gz NCYZEAYOSNSGRW-UHFFFAOYSA-N 1 0 348.334 2.322 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345371990 161296246 /nfs/dbraw/zinc/29/62/46/161296246.db2.gz CRDKLHSRISXKJK-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000346316934 161362584 /nfs/dbraw/zinc/36/25/84/161362584.db2.gz IHWRBOKUQWPBAQ-SFHVURJKSA-N 1 0 347.415 2.226 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000352584478 162199762 /nfs/dbraw/zinc/19/97/62/162199762.db2.gz UEUJDFQLOPSAGL-NSHDSACASA-N 1 0 331.376 2.177 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CSC[C@H]1C ZINC000352788931 162287697 /nfs/dbraw/zinc/28/76/97/162287697.db2.gz BGOZCCVRAMJQSA-MFKMUULPSA-N 1 0 339.417 2.273 20 5 EEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447586425 298466261 /nfs/dbraw/zinc/46/62/61/298466261.db2.gz NSHKSIYZEWLWRK-OCWCGTNQSA-N 1 0 328.438 2.022 20 5 EEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000356254662 163381467 /nfs/dbraw/zinc/38/14/67/163381467.db2.gz PLKGJZGQRDSJCP-MLGOLLRUSA-N 1 0 330.388 2.355 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)n1 ZINC000367983518 166031437 /nfs/dbraw/zinc/03/14/37/166031437.db2.gz POHSYFRGYKGHML-CQSZACIVSA-N 1 0 326.360 2.088 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000359748276 164164617 /nfs/dbraw/zinc/16/46/17/164164617.db2.gz ZPFWJBPNHJXLMO-NSHDSACASA-N 1 0 325.413 2.292 20 5 EEBDRO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369265380 166224323 /nfs/dbraw/zinc/22/43/23/166224323.db2.gz GGMZPDRSCXDCNW-LBPRGKRZSA-N 1 0 349.391 2.083 20 5 EEBDRO Cc1nccn1CCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369678058 166311674 /nfs/dbraw/zinc/31/16/74/166311674.db2.gz BUXXLYYVUVNBJS-UHFFFAOYSA-N 1 0 332.408 2.414 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000271459002 268831275 /nfs/dbraw/zinc/83/12/75/268831275.db2.gz FSWCTUJWOJNXNS-DOMZBBRYSA-N 1 0 326.418 2.207 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000274559189 269039473 /nfs/dbraw/zinc/03/94/73/269039473.db2.gz YXOLNTZXOFTOFT-LBPRGKRZSA-N 1 0 336.348 2.106 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000275119785 269096236 /nfs/dbraw/zinc/09/62/36/269096236.db2.gz PEHASAMVPNXKJV-LBPRGKRZSA-N 1 0 345.321 2.138 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N(C)C)CCC1 ZINC000275680678 269135254 /nfs/dbraw/zinc/13/52/54/269135254.db2.gz HYQVKIACAXJKLZ-ZDUSSCGKSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCCC1 ZINC000277537881 269160961 /nfs/dbraw/zinc/16/09/61/269160961.db2.gz AYXATUDQBCIXBM-LBPRGKRZSA-N 1 0 345.403 2.352 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278249438 269219178 /nfs/dbraw/zinc/21/91/78/269219178.db2.gz MLVMJFJHTPMLNN-SCZZXKLOSA-N 1 0 342.193 2.228 20 5 EEBDRO O=C(NCC[N@H+]1CC=CCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000279921976 269316653 /nfs/dbraw/zinc/31/66/53/269316653.db2.gz MURIDEWQSUMCQL-UHFFFAOYSA-N 1 0 338.795 2.309 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000154550343 273980019 /nfs/dbraw/zinc/98/00/19/273980019.db2.gz SVXJBTVBQWYGCV-KBPBESRZSA-N 1 0 348.447 2.416 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000181968160 274010102 /nfs/dbraw/zinc/01/01/02/274010102.db2.gz CNCICZIDXBPLEC-OKILXGFUSA-N 1 0 338.429 2.491 20 5 EEBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000189041481 274036201 /nfs/dbraw/zinc/03/62/01/274036201.db2.gz YJUKGQALPNFYGJ-UHFFFAOYSA-N 1 0 325.368 2.383 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371349668 274364679 /nfs/dbraw/zinc/36/46/79/274364679.db2.gz LCLUPJQNMGKYAP-CZUORRHYSA-N 1 0 336.411 2.196 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)C3CCCC3)n2)cc1 ZINC000289460342 275117710 /nfs/dbraw/zinc/11/77/10/275117710.db2.gz GWIIBQJHXONPBQ-AWEZNQCLSA-N 1 0 332.360 2.286 20 5 EEBDRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289591219 275130589 /nfs/dbraw/zinc/13/05/89/275130589.db2.gz QWBUJPGWMPJVCC-CYBMUJFWSA-N 1 0 341.795 2.327 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000290125194 275182063 /nfs/dbraw/zinc/18/20/63/275182063.db2.gz LJAUWNYOMCRFIR-CQSZACIVSA-N 1 0 333.388 2.065 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)n1 ZINC000291607342 275322272 /nfs/dbraw/zinc/32/22/72/275322272.db2.gz CDLLIUXMVLZPJN-GOSISDBHSA-N 1 0 344.415 2.109 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000349301252 276100336 /nfs/dbraw/zinc/10/03/36/276100336.db2.gz VQGUGWITCPTEQN-INIZCTEOSA-N 1 0 349.431 2.476 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420273357 278317143 /nfs/dbraw/zinc/31/71/43/278317143.db2.gz NFVHSUOIJGVMKT-QMTHXVAHSA-N 1 0 340.811 2.388 20 5 EEBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000069078720 279768339 /nfs/dbraw/zinc/76/83/39/279768339.db2.gz QXYZBOJZRZBXEU-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000176388710 281838400 /nfs/dbraw/zinc/83/84/00/281838400.db2.gz CARXWXSMLVRYNV-UHFFFAOYSA-N 1 0 348.447 2.465 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255430973 292706092 /nfs/dbraw/zinc/70/60/92/292706092.db2.gz WZLXUVBDBUUXDH-HLRDLLSLSA-N 1 0 335.404 2.081 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000352475968 290537159 /nfs/dbraw/zinc/53/71/59/290537159.db2.gz FVZKMSQKUNEWTC-GXTWGEPZSA-N 1 0 339.461 2.373 20 5 EEBDRO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000293523837 293229640 /nfs/dbraw/zinc/22/96/40/293229640.db2.gz WIWKJRPSMNOTBJ-KRWDZBQOSA-N 1 0 344.415 2.298 20 5 EEBDRO COc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000296909687 294099311 /nfs/dbraw/zinc/09/93/11/294099311.db2.gz ZYSDSOMHRMVARZ-UHFFFAOYSA-N 1 0 339.367 2.204 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000297048866 294137827 /nfs/dbraw/zinc/13/78/27/294137827.db2.gz IHPANYBTFQCHDZ-OAHLLOKOSA-N 1 0 347.415 2.232 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158393717 304516041 /nfs/dbraw/zinc/51/60/41/304516041.db2.gz BOYAGBXWOXURSU-CQSZACIVSA-N 1 0 343.305 2.439 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000247440176 298535074 /nfs/dbraw/zinc/53/50/74/298535074.db2.gz WRFODIFYSKKUJM-HZSPNIEDSA-N 1 0 348.447 2.496 20 5 EEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261852015 303010079 /nfs/dbraw/zinc/01/00/79/303010079.db2.gz YDFZOTIXKZPBHP-CQSZACIVSA-N 1 0 335.795 2.128 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000170949976 311398767 /nfs/dbraw/zinc/39/87/67/311398767.db2.gz GEBGJTLCMKCBOU-UHFFFAOYSA-N 1 0 334.401 2.255 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000413198122 312819104 /nfs/dbraw/zinc/81/91/04/312819104.db2.gz PRVZBXRARYSOKG-LSDHHAIUSA-N 1 0 338.383 2.309 20 5 EEBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414519904 313036136 /nfs/dbraw/zinc/03/61/36/313036136.db2.gz CRLDIXJFNYKYJJ-BLLLJJGKSA-N 1 0 326.393 2.497 20 5 EEBDRO C[NH2+]CCNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000414819626 313097064 /nfs/dbraw/zinc/09/70/64/313097064.db2.gz AOSPGTUPDUMIMT-UHFFFAOYSA-N 1 0 345.399 2.491 20 5 EEBDRO COc1cc(CNC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414895827 313109331 /nfs/dbraw/zinc/10/93/31/313109331.db2.gz ZXJAPHPGXQOLJE-LLVKDONJSA-N 1 0 345.346 2.074 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000418615811 313861762 /nfs/dbraw/zinc/86/17/62/313861762.db2.gz YICHDADMDAHZDO-GXTWGEPZSA-N 1 0 332.404 2.409 20 5 EEBDRO [NH3+]C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000418616544 313861876 /nfs/dbraw/zinc/86/18/76/313861876.db2.gz HWCOJXOLPVUUID-INIZCTEOSA-N 1 0 332.404 2.180 20 5 EEBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000421009554 314024032 /nfs/dbraw/zinc/02/40/32/314024032.db2.gz FLXAUVLHCQWUFT-YOEHRIQHSA-N 1 0 347.415 2.185 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421391237 314095203 /nfs/dbraw/zinc/09/52/03/314095203.db2.gz ACZXFQMRBKVJCN-ZDUSSCGKSA-N 1 0 330.392 2.199 20 5 EEBDRO CN(CC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000421679533 314140000 /nfs/dbraw/zinc/14/00/00/314140000.db2.gz LNMHSALAWSASFT-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421787550 314165063 /nfs/dbraw/zinc/16/50/63/314165063.db2.gz PVLGCOPPKLMAAE-CQSZACIVSA-N 1 0 337.420 2.298 20 5 EEBDRO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430602470 314557351 /nfs/dbraw/zinc/55/73/51/314557351.db2.gz LFHQCVOXBYEFTQ-ZIAGYGMSSA-N 1 0 334.420 2.162 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432119692 314680361 /nfs/dbraw/zinc/68/03/61/314680361.db2.gz HZTINLWXEIERMQ-CYBMUJFWSA-N 1 0 337.420 2.375 20 5 EEBDRO Cc1cc(OCC(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000432318473 314693766 /nfs/dbraw/zinc/69/37/66/314693766.db2.gz BJBNFUKPOZQFHB-UHFFFAOYSA-N 1 0 335.404 2.130 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000444262871 315285748 /nfs/dbraw/zinc/28/57/48/315285748.db2.gz CSHHIMRQTXOZPT-SNVBAGLBSA-N 1 0 342.193 2.229 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448825696 315388197 /nfs/dbraw/zinc/38/81/97/315388197.db2.gz XFIBRAHRGUJGEA-AWEZNQCLSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449196270 315430386 /nfs/dbraw/zinc/43/03/86/315430386.db2.gz XCTHFPLMTYKVAX-GOSISDBHSA-N 1 0 325.368 2.142 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449209996 315432995 /nfs/dbraw/zinc/43/29/95/315432995.db2.gz SUOYLVWQNPKEIN-STQMWFEESA-N 1 0 333.388 2.065 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000515466933 316496565 /nfs/dbraw/zinc/49/65/65/316496565.db2.gz FVZHHMLXFNIGFE-NSHDSACASA-N 1 0 344.209 2.461 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000517539616 316673806 /nfs/dbraw/zinc/67/38/06/316673806.db2.gz OTYOITUTUNIAPT-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536628051 318005309 /nfs/dbraw/zinc/00/53/09/318005309.db2.gz WZEHZSPZDSIFLM-UONOGXRCSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1ccc(CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000537590134 318021037 /nfs/dbraw/zinc/02/10/37/318021037.db2.gz FFJJSIXGYMPWEV-CYBMUJFWSA-N 1 0 349.431 2.335 20 5 EEBDRO Cc1cccnc1CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564205031 319072306 /nfs/dbraw/zinc/07/23/06/319072306.db2.gz UOEHUFKIPLXUOV-MRXNPFEDSA-N 1 0 345.399 2.260 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000564280568 319075225 /nfs/dbraw/zinc/07/52/25/319075225.db2.gz HYHPZAVWCBSLAW-DUVNUKRYSA-N 1 0 332.404 2.090 20 5 EEBDRO CCc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000564958291 319132640 /nfs/dbraw/zinc/13/26/40/319132640.db2.gz ZNMMFJFUQJWDOI-HNNXBMFYSA-N 1 0 343.449 2.199 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565481847 319186591 /nfs/dbraw/zinc/18/65/91/319186591.db2.gz IAURUDRTXOBHCN-UONOGXRCSA-N 1 0 346.431 2.020 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567882734 319430390 /nfs/dbraw/zinc/43/03/90/319430390.db2.gz BKPBRIRXKMNLFI-CQSZACIVSA-N 1 0 346.431 2.009 20 5 EEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000570394650 319662256 /nfs/dbraw/zinc/66/22/56/319662256.db2.gz GULAFONVZKUHLP-GXTWGEPZSA-N 1 0 349.435 2.027 20 5 EEBDRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000574380917 320019794 /nfs/dbraw/zinc/01/97/94/320019794.db2.gz KOTAGHDEGXZFKW-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[C@H]1CCCCO1 ZINC000575742607 320109617 /nfs/dbraw/zinc/10/96/17/320109617.db2.gz NWXYVVKHORHEMB-LSDHHAIUSA-N 1 0 338.404 2.273 20 5 EEBDRO CSC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000575862875 320120567 /nfs/dbraw/zinc/12/05/67/320120567.db2.gz VKXVZCKNAYTLLJ-GFCCVEGCSA-N 1 0 326.418 2.210 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000577228863 320243933 /nfs/dbraw/zinc/24/39/33/320243933.db2.gz PDDNFYORXMCKCR-SCVCMEIPSA-N 1 0 341.795 2.354 20 5 EEBDRO [NH3+][C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000577630637 320267420 /nfs/dbraw/zinc/26/74/20/320267420.db2.gz QZSUGVIPIQGZHL-HNNXBMFYSA-N 1 0 343.387 2.045 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578113318 320294870 /nfs/dbraw/zinc/29/48/70/320294870.db2.gz JAKUYYMKRPJPFU-LLVKDONJSA-N 1 0 342.193 2.228 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181663677 323352077 /nfs/dbraw/zinc/35/20/77/323352077.db2.gz YJOJBPSILNGLIZ-SNVBAGLBSA-N 1 0 343.330 2.268 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606162 448916703 /nfs/dbraw/zinc/91/67/03/448916703.db2.gz KWCUPWBOYAXGSY-FRRDWIJNSA-N 1 0 347.419 2.049 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032833 465057542 /nfs/dbraw/zinc/05/75/42/465057542.db2.gz ZUVRIFKRBFPZEM-CJNGLKHVSA-N 1 0 347.415 2.356 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354624233 465060456 /nfs/dbraw/zinc/06/04/56/465060456.db2.gz NZMLITBGNIWISM-CYBMUJFWSA-N 1 0 334.420 2.417 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000339081549 465072559 /nfs/dbraw/zinc/07/25/59/465072559.db2.gz KHIOASFYXKAVKD-AWEZNQCLSA-N 1 0 348.321 2.491 20 5 EEBDRO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCSC1 ZINC000341264337 465082603 /nfs/dbraw/zinc/08/26/03/465082603.db2.gz AIHGTSZGHJPCOE-GFCCVEGCSA-N 1 0 343.836 2.302 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000341291265 465094726 /nfs/dbraw/zinc/09/47/26/465094726.db2.gz VIQCGJVRJBFVAQ-UMVBOHGHSA-N 1 0 334.420 2.384 20 5 EEBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419848 465188162 /nfs/dbraw/zinc/18/81/62/465188162.db2.gz VMVCSKRGLDXCPR-YJBOKZPZSA-N 1 0 347.415 2.277 20 5 EEBDRO COC(=O)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000347814470 465243975 /nfs/dbraw/zinc/24/39/75/465243975.db2.gz RAOOBRAQVRSYRF-XQRVVYSFSA-N 1 0 334.372 2.310 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000339428708 465266573 /nfs/dbraw/zinc/26/65/73/465266573.db2.gz UZSVXZJGNVNMBK-QGZVFWFLSA-N 1 0 329.404 2.389 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1SC ZINC000590663599 468297493 /nfs/dbraw/zinc/29/74/93/468297493.db2.gz NSNFUSHXTXFKFR-ZDUSSCGKSA-N 1 0 339.417 2.196 20 5 EEBDRO Cc1cccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000112921551 462554892 /nfs/dbraw/zinc/55/48/92/462554892.db2.gz OKHYXQGVDIBTBM-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000127516297 462560031 /nfs/dbraw/zinc/56/00/31/462560031.db2.gz YVRWNHPCYMBTOJ-MNOVXSKESA-N 1 0 331.376 2.026 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267733 462583599 /nfs/dbraw/zinc/58/35/99/462583599.db2.gz PZPXTAXWRJZVAZ-ZFWWWQNUSA-N 1 0 332.404 2.010 20 5 EEBDRO CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128271460 462624287 /nfs/dbraw/zinc/62/42/87/462624287.db2.gz WTLRXBDHHGLVSW-LBPRGKRZSA-N 1 0 325.340 2.173 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCCOC1 ZINC000128587519 462655390 /nfs/dbraw/zinc/65/53/90/462655390.db2.gz CIEDDGRZQFRDOH-LBPRGKRZSA-N 1 0 339.367 2.421 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046168969 462655721 /nfs/dbraw/zinc/65/57/21/462655721.db2.gz MTDIEAXBHBJWMY-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCCC1 ZINC000064021179 462685152 /nfs/dbraw/zinc/68/51/52/462685152.db2.gz GVPVMDIFUJBDHK-UHFFFAOYSA-N 1 0 335.360 2.384 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153744824 462686513 /nfs/dbraw/zinc/68/65/13/462686513.db2.gz SEPFPDPXYWEJHT-GFCCVEGCSA-N 1 0 328.800 2.148 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000047272574 462763138 /nfs/dbraw/zinc/76/31/38/462763138.db2.gz NVPDYMRRQOYHOS-UONOGXRCSA-N 1 0 339.417 2.037 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068630 462771791 /nfs/dbraw/zinc/77/17/91/462771791.db2.gz BNRCERNAHZGQBB-HOTGVXAUSA-N 1 0 343.387 2.175 20 5 EEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000008222351 462774180 /nfs/dbraw/zinc/77/41/80/462774180.db2.gz RJTYMWMFKQKOKE-CHWSQXEVSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000047423090 462780650 /nfs/dbraw/zinc/78/06/50/462780650.db2.gz WALUIRMETAMYGL-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000090191999 462785999 /nfs/dbraw/zinc/78/59/99/462785999.db2.gz BHFNJWQYIHMITI-MRXNPFEDSA-N 1 0 343.431 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000090562236 462798476 /nfs/dbraw/zinc/79/84/76/462798476.db2.gz CZPNWKVRGGRHIG-UHFFFAOYSA-N 1 0 349.387 2.071 20 5 EEBDRO C[N@H+](CC1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000155835597 462949467 /nfs/dbraw/zinc/94/94/67/462949467.db2.gz RFCGXXNVGQYGBR-INIZCTEOSA-N 1 0 333.388 2.059 20 5 EEBDRO O=c1[nH]cnc2cc(N3CC[C@H]([NH+]4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000521672051 468327895 /nfs/dbraw/zinc/32/78/95/468327895.db2.gz OKVSZAUSNOTOLY-LBPRGKRZSA-N 1 0 343.387 2.308 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000155911911 462958266 /nfs/dbraw/zinc/95/82/66/462958266.db2.gz PORVOBRCVWWWMH-TZMCWYRMSA-N 1 0 332.404 2.042 20 5 EEBDRO Cc1c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049992645 462983338 /nfs/dbraw/zinc/98/33/38/462983338.db2.gz KQMJVNKJXKKVMT-LBPRGKRZSA-N 1 0 348.359 2.122 20 5 EEBDRO COc1ccc(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067910906 463065844 /nfs/dbraw/zinc/06/58/44/463065844.db2.gz FHFNOVBEKIPMLD-UONOGXRCSA-N 1 0 349.431 2.383 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1csc([N+](=O)[O-])c1 ZINC000053991396 463201779 /nfs/dbraw/zinc/20/17/79/463201779.db2.gz SIAHEJUCADWLJO-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000028067644 463216585 /nfs/dbraw/zinc/21/65/85/463216585.db2.gz DIBYZPMGEBKPSO-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO COC1CC[NH+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079683908 463240660 /nfs/dbraw/zinc/24/06/60/463240660.db2.gz XVULFAGANUJTEP-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030362998 463295898 /nfs/dbraw/zinc/29/58/98/463295898.db2.gz RIULVBJVOGZQQE-UHFFFAOYSA-N 1 0 339.395 2.312 20 5 EEBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160911565 463381250 /nfs/dbraw/zinc/38/12/50/463381250.db2.gz HXMZXPZNSAQHGX-STQMWFEESA-N 1 0 333.388 2.092 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150827131 463435040 /nfs/dbraw/zinc/43/50/40/463435040.db2.gz NBGBSMWKIYTSFB-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170743591 463701613 /nfs/dbraw/zinc/70/16/13/463701613.db2.gz NDJQLFHDVSTBCG-HNNXBMFYSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193851044 463748312 /nfs/dbraw/zinc/74/83/12/463748312.db2.gz DFXMTNGHPYRPKH-ZDUSSCGKSA-N 1 0 343.387 2.444 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000185426938 463820669 /nfs/dbraw/zinc/82/06/69/463820669.db2.gz KMOIFMKNVLUKJE-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185897985 463901796 /nfs/dbraw/zinc/90/17/96/463901796.db2.gz JBOVQSCBRLDPJF-UHFFFAOYSA-N 1 0 348.403 2.080 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269199133 463907209 /nfs/dbraw/zinc/90/72/09/463907209.db2.gz WRKQUMLLZQZXDM-KGLIPLIRSA-N 1 0 344.415 2.162 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000178721866 463952407 /nfs/dbraw/zinc/95/24/07/463952407.db2.gz QGCHZJUJKUQEQQ-HXUWFJFHSA-N 1 0 337.423 2.430 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339674111 465434164 /nfs/dbraw/zinc/43/41/64/465434164.db2.gz XDMVBUAIXASGKD-OCCSQVGLSA-N 1 0 335.429 2.430 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000287772175 463995932 /nfs/dbraw/zinc/99/59/32/463995932.db2.gz IAGWAHGMIXCDOB-WDEREUQCSA-N 1 0 334.376 2.122 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262745808 464043578 /nfs/dbraw/zinc/04/35/78/464043578.db2.gz LPVOPPVJUGCDEW-MWLCHTKSSA-N 1 0 347.824 2.139 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)(C)C ZINC000279419129 464101784 /nfs/dbraw/zinc/10/17/84/464101784.db2.gz LGFDSKIRRXHPPM-CQSZACIVSA-N 1 0 340.399 2.412 20 5 EEBDRO COCCO[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179344391 464111322 /nfs/dbraw/zinc/11/13/22/464111322.db2.gz XNOWJTSBOQHVBP-KRWDZBQOSA-N 1 0 338.404 2.491 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000270057371 464173559 /nfs/dbraw/zinc/17/35/59/464173559.db2.gz GMWAECIGTBDYSH-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000270117193 464191226 /nfs/dbraw/zinc/19/12/26/464191226.db2.gz NFPIXXGAMMTBSB-YGRLFVJLSA-N 1 0 341.795 2.280 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280696021 464233726 /nfs/dbraw/zinc/23/37/26/464233726.db2.gz ZYSNNIGDXAVBRX-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000280991662 464290414 /nfs/dbraw/zinc/29/04/14/464290414.db2.gz NEPGOQLEAWFXME-CQSZACIVSA-N 1 0 348.403 2.222 20 5 EEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281102385 464332833 /nfs/dbraw/zinc/33/28/33/464332833.db2.gz ANZKYYPFZAFZMX-QGZVFWFLSA-N 1 0 336.388 2.387 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000281214198 464373643 /nfs/dbraw/zinc/37/36/43/464373643.db2.gz LWPWHUSAFGSLCY-UHFFFAOYSA-N 1 0 347.415 2.226 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237824679 464385656 /nfs/dbraw/zinc/38/56/56/464385656.db2.gz PPRJGXMZFUINOA-RHSMWYFYSA-N 1 0 349.434 2.398 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264626213 464399875 /nfs/dbraw/zinc/39/98/75/464399875.db2.gz KNAREBIRVODMIH-GFCCVEGCSA-N 1 0 335.429 2.287 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237926920 464405202 /nfs/dbraw/zinc/40/52/02/464405202.db2.gz LIKOFDWKVDZHMK-GXTWGEPZSA-N 1 0 332.404 2.416 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264647313 464408021 /nfs/dbraw/zinc/40/80/21/464408021.db2.gz WJLFBXGKMNNJNJ-WMLDXEAASA-N 1 0 346.431 2.482 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000264693630 464426401 /nfs/dbraw/zinc/42/64/01/464426401.db2.gz ZSVYTLJMFDUMRH-UHFFFAOYSA-N 1 0 326.828 2.322 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(O)CCOCC2)o1 ZINC000238144925 464435828 /nfs/dbraw/zinc/43/58/28/464435828.db2.gz FZKFVINUKGJWQD-UHFFFAOYSA-N 1 0 332.356 2.486 20 5 EEBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174703415 464438628 /nfs/dbraw/zinc/43/86/28/464438628.db2.gz IVMDIJCMKIQPEW-MFKMUULPSA-N 1 0 340.330 2.123 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237444 464460865 /nfs/dbraw/zinc/46/08/65/464460865.db2.gz KJSDXJWBLNGZJW-IUODEOHRSA-N 1 0 344.415 2.266 20 5 EEBDRO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CO ZINC000294616066 464554713 /nfs/dbraw/zinc/55/47/13/464554713.db2.gz OKELFBXGXPLLOY-UWVGGRQHSA-N 1 0 336.310 2.177 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175502013 464562824 /nfs/dbraw/zinc/56/28/24/464562824.db2.gz XQHCPNWKFVLSCW-MRXNPFEDSA-N 1 0 335.404 2.004 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281747413 464570451 /nfs/dbraw/zinc/57/04/51/464570451.db2.gz IVBWKUKECPURMC-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013693 464586796 /nfs/dbraw/zinc/58/67/96/464586796.db2.gz ORFOBWPFFFMVPS-RDJZCZTQSA-N 1 0 338.404 2.129 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000246644220 464608286 /nfs/dbraw/zinc/60/82/86/464608286.db2.gz JWWRJYCCCUODGT-GXTWGEPZSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272454086 464616965 /nfs/dbraw/zinc/61/69/65/464616965.db2.gz CNWFJEWRLKADFN-XJKCOSOUSA-N 1 0 335.404 2.405 20 5 EEBDRO Cn1ccnc1[C@H](NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272502583 464636668 /nfs/dbraw/zinc/63/66/68/464636668.db2.gz HFJXLYNRQALENS-QGZVFWFLSA-N 1 0 343.431 2.493 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518827 464642260 /nfs/dbraw/zinc/64/22/60/464642260.db2.gz KSLCREBYPZMVFP-HZPDHXFCSA-N 1 0 329.404 2.102 20 5 EEBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000182526245 464675104 /nfs/dbraw/zinc/67/51/04/464675104.db2.gz UJUQABVOYJUPOG-LBPRGKRZSA-N 1 0 344.371 2.066 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265840613 464705127 /nfs/dbraw/zinc/70/51/27/464705127.db2.gz VNTROSBLIDPAQS-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO CN(C)C(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000295112960 464710153 /nfs/dbraw/zinc/71/01/53/464710153.db2.gz ISWHDQHHJJYORA-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CCN1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000295193469 464740160 /nfs/dbraw/zinc/74/01/60/464740160.db2.gz DKYULNYAIYVIEU-ZDUSSCGKSA-N 1 0 333.388 2.110 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000282373550 464793979 /nfs/dbraw/zinc/79/39/79/464793979.db2.gz ABEOJGMULRSTPO-HOCLYGCPSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000295343635 464796735 /nfs/dbraw/zinc/79/67/35/464796735.db2.gz YIZFPPMSWGDDPF-CYBMUJFWSA-N 1 0 334.420 2.442 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000176698849 464827982 /nfs/dbraw/zinc/82/79/82/464827982.db2.gz MMSKLVXFVJQZIY-UHFFFAOYSA-N 1 0 349.431 2.143 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000248998530 464829402 /nfs/dbraw/zinc/82/94/02/464829402.db2.gz YJSGZWXFXDMJSK-SKDRFNHKSA-N 1 0 346.330 2.408 20 5 EEBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000176913805 464885869 /nfs/dbraw/zinc/88/58/69/464885869.db2.gz BFYQJVYUGPUAOG-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H](C)C1 ZINC000286402091 464904590 /nfs/dbraw/zinc/90/45/90/464904590.db2.gz PQHAJWMYYFSQRZ-CQSZACIVSA-N 1 0 346.431 2.361 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249789770 464917181 /nfs/dbraw/zinc/91/71/81/464917181.db2.gz FAXMJFOJDNLEIS-MLGOLLRUSA-N 1 0 330.388 2.198 20 5 EEBDRO C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000295812769 464973667 /nfs/dbraw/zinc/97/36/67/464973667.db2.gz ULEBSINETGEUBC-ZDUSSCGKSA-N 1 0 345.399 2.324 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908672 464998290 /nfs/dbraw/zinc/99/82/90/464998290.db2.gz YKSPRMOYAHWJRT-DYVFJYSZSA-N 1 0 346.431 2.261 20 5 EEBDRO Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000184607260 465007773 /nfs/dbraw/zinc/00/77/73/465007773.db2.gz ULJVKOYWVFPMHX-CQSZACIVSA-N 1 0 348.403 2.089 20 5 EEBDRO NC(=O)c1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000342774176 465349479 /nfs/dbraw/zinc/34/94/79/465349479.db2.gz BUQILDBIPHDSKT-DOMZBBRYSA-N 1 0 344.415 2.147 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934790 465399201 /nfs/dbraw/zinc/39/92/01/465399201.db2.gz OAGIZOWNWPYDAU-QMTHXVAHSA-N 1 0 328.372 2.289 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000359553227 465450852 /nfs/dbraw/zinc/45/08/52/465450852.db2.gz RKFZQWKTBLZQDB-AWEZNQCLSA-N 1 0 343.387 2.336 20 5 EEBDRO Cn1cc(CNC[C@H]2CCCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591275572 468435322 /nfs/dbraw/zinc/43/53/22/468435322.db2.gz FBUCXJMQEYGCDY-OAHLLOKOSA-N 1 0 329.404 2.227 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000371253584 465669303 /nfs/dbraw/zinc/66/93/03/465669303.db2.gz LTROWJFCXGLQKM-PIIMJCKOSA-N 1 0 337.379 2.455 20 5 EEBDRO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059495 465733582 /nfs/dbraw/zinc/73/35/82/465733582.db2.gz XFHQNJPUJZFRAJ-GJZGRUSLSA-N 1 0 341.415 2.037 20 5 EEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371461448 465812017 /nfs/dbraw/zinc/81/20/17/465812017.db2.gz XYLLQQJICQJETG-MSOLQXFVSA-N 1 0 344.415 2.459 20 5 EEBDRO CC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184473 465821421 /nfs/dbraw/zinc/82/14/21/465821421.db2.gz QRNYEUDOSSOSOD-WBVHZDCISA-N 1 0 348.447 2.223 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000330919149 465859927 /nfs/dbraw/zinc/85/99/27/465859927.db2.gz YCRXKKKRJIVVQG-PWSUYJOCSA-N 1 0 325.796 2.390 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000366801659 465943676 /nfs/dbraw/zinc/94/36/76/465943676.db2.gz FBXKSIDSAXDEDN-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357459605 466053575 /nfs/dbraw/zinc/05/35/75/466053575.db2.gz PAPWFJWOWBYLPY-GFCCVEGCSA-N 1 0 335.408 2.011 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000338354563 466053788 /nfs/dbraw/zinc/05/37/88/466053788.db2.gz KHOUTFGXOQDSOQ-DGCLKSJQSA-N 1 0 335.335 2.219 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367171885 466171699 /nfs/dbraw/zinc/17/16/99/466171699.db2.gz SUUJEZHRUAUZDU-IAGOWNOFSA-N 1 0 343.427 2.166 20 5 EEBDRO COC(=O)c1cnc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761149 466179868 /nfs/dbraw/zinc/17/98/68/466179868.db2.gz KFZHVJPRMCWGLE-NWDGAFQWSA-N 1 0 336.392 2.309 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000597203067 468478975 /nfs/dbraw/zinc/47/89/75/468478975.db2.gz MDRFUAUIFHFTMD-RXBGNRNISA-N 1 0 331.416 2.405 20 5 EEBDRO CS[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+](C)C ZINC000340742137 466304158 /nfs/dbraw/zinc/30/41/58/466304158.db2.gz KHNMKIRQIJZANY-CHWSQXEVSA-N 1 0 349.416 2.127 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000338770055 466369286 /nfs/dbraw/zinc/36/92/86/466369286.db2.gz YVEXJZXEEHVJBQ-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO COc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332097560 466386801 /nfs/dbraw/zinc/38/68/01/466386801.db2.gz XSUSTGKLRWHZQK-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332205136 466446286 /nfs/dbraw/zinc/44/62/86/466446286.db2.gz RGUDWSLOZNMDOV-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332205138 466446296 /nfs/dbraw/zinc/44/62/96/466446296.db2.gz RGUDWSLOZNMDOV-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000367695109 466497128 /nfs/dbraw/zinc/49/71/28/466497128.db2.gz XOUQOHADZWBSAN-AWEZNQCLSA-N 1 0 342.399 2.362 20 5 EEBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332344214 466517239 /nfs/dbraw/zinc/51/72/39/466517239.db2.gz XRPBOIKTPJEOSX-WQGACYEGSA-N 1 0 336.388 2.443 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000358200629 466536152 /nfs/dbraw/zinc/53/61/52/466536152.db2.gz JGGMXXIGUQCBEF-BLLLJJGKSA-N 1 0 333.388 2.025 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000354421768 466554982 /nfs/dbraw/zinc/55/49/82/466554982.db2.gz GXYQHUBJRKZAJC-RYUDHWBXSA-N 1 0 345.403 2.416 20 5 EEBDRO CN(CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000347324118 466565433 /nfs/dbraw/zinc/56/54/33/466565433.db2.gz SRHZTAYTXRVGAB-HNNXBMFYSA-N 1 0 346.431 2.164 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341082812 466568875 /nfs/dbraw/zinc/56/88/75/466568875.db2.gz AEPFHBFTDYRJKC-MRXNPFEDSA-N 1 0 332.404 2.365 20 5 EEBDRO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591687133 468503080 /nfs/dbraw/zinc/50/30/80/468503080.db2.gz KGRZFRVGGXRNDO-HNNXBMFYSA-N 1 0 341.367 2.390 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000373153010 466709001 /nfs/dbraw/zinc/70/90/01/466709001.db2.gz MVDDFARECMIKHU-UHFFFAOYSA-N 1 0 344.415 2.385 20 5 EEBDRO C[C@@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375697383 466865323 /nfs/dbraw/zinc/86/53/23/466865323.db2.gz LIGFULQEYDLQCM-GFCCVEGCSA-N 1 0 333.388 2.471 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000373738204 466906120 /nfs/dbraw/zinc/90/61/20/466906120.db2.gz VVHGMJPFVBMJQU-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO CC1(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000417716302 466916104 /nfs/dbraw/zinc/91/61/04/466916104.db2.gz JSFYGRNDPRODQK-UHFFFAOYSA-N 1 0 334.420 2.359 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417726638 466918435 /nfs/dbraw/zinc/91/84/35/466918435.db2.gz MVGMPVDYKQPAOL-HOTGVXAUSA-N 1 0 346.431 2.168 20 5 EEBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000423945220 466923338 /nfs/dbraw/zinc/92/33/38/466923338.db2.gz IDOAKOJTERPXOI-IBGZPJMESA-N 1 0 349.434 2.350 20 5 EEBDRO C[C@H]1[C@H](CO)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066932 466992939 /nfs/dbraw/zinc/99/29/39/466992939.db2.gz DKUJANJHVFZFKY-QWRGUYRKSA-N 1 0 341.795 2.280 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086962 467041979 /nfs/dbraw/zinc/04/19/79/467041979.db2.gz FHRZADHPVNAYHG-QMMMGPOBSA-N 1 0 334.298 2.150 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@H](C)C1 ZINC000413253571 467197025 /nfs/dbraw/zinc/19/70/25/467197025.db2.gz VLMCGCFFNALLLW-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO COC[C@@]1(CO)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000450896463 467199958 /nfs/dbraw/zinc/19/99/58/467199958.db2.gz NKFREWSBFGSOJQ-KRWDZBQOSA-N 1 0 331.372 2.287 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428718864 467261902 /nfs/dbraw/zinc/26/19/02/467261902.db2.gz NYSWTIROMMZDQL-XJKSGUPXSA-N 1 0 335.379 2.219 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429055440 467297093 /nfs/dbraw/zinc/29/70/93/467297093.db2.gz SYPLOPJJDWODSX-STQMWFEESA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429246439 467315787 /nfs/dbraw/zinc/31/57/87/467315787.db2.gz RLANLSNNSDLULK-KGLIPLIRSA-N 1 0 346.431 2.265 20 5 EEBDRO [NH3+]CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000420306901 467347877 /nfs/dbraw/zinc/34/78/77/467347877.db2.gz LHNUMBIWPWFGQN-UHFFFAOYSA-N 1 0 342.399 2.384 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000434238612 467383785 /nfs/dbraw/zinc/38/37/85/467383785.db2.gz XEZZXFNEMYVZIA-JTQLQIEISA-N 1 0 325.413 2.147 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430550223 467438148 /nfs/dbraw/zinc/43/81/48/467438148.db2.gz KBHFULWIUCZUKU-HZMBPMFUSA-N 1 0 340.811 2.246 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430582785 467445188 /nfs/dbraw/zinc/44/51/88/467445188.db2.gz LPZBAPUGEBTZIU-UHFFFAOYSA-N 1 0 328.800 2.103 20 5 EEBDRO [NH3+]CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)F ZINC000414990795 467462272 /nfs/dbraw/zinc/46/22/72/467462272.db2.gz OQNBXBLVNXHYKS-SECBINFHSA-N 1 0 325.262 2.268 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2C[NH2+]CCCO2)o1 ZINC000415031769 467470861 /nfs/dbraw/zinc/47/08/61/467470861.db2.gz FIRJVLCWKGMEQM-CQSZACIVSA-N 1 0 331.372 2.323 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000453267281 467474051 /nfs/dbraw/zinc/47/40/51/467474051.db2.gz PCFDERVOOUTPOD-ROUUACIJSA-N 1 0 347.459 2.352 20 5 EEBDRO CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[NH2+]C1 ZINC000430920513 467474355 /nfs/dbraw/zinc/47/43/55/467474355.db2.gz PMULMCDMABMRBM-AWEZNQCLSA-N 1 0 331.376 2.219 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431483489 467520100 /nfs/dbraw/zinc/52/01/00/467520100.db2.gz NWRAZXALDKSVIF-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cnn1C ZINC000431665724 467531632 /nfs/dbraw/zinc/53/16/32/467531632.db2.gz GOXKEHUZDJQNDM-JKSUJKDBSA-N 1 0 334.351 2.396 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448979121 467610267 /nfs/dbraw/zinc/61/02/67/467610267.db2.gz GIMMCQNQJOABQR-CYBMUJFWSA-N 1 0 333.388 2.110 20 5 EEBDRO COc1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1O ZINC000449503507 467653584 /nfs/dbraw/zinc/65/35/84/467653584.db2.gz IEKOEFSHRKFBTF-SUMWQHHRSA-N 1 0 336.388 2.196 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000449558510 467661505 /nfs/dbraw/zinc/66/15/05/467661505.db2.gz WLLPUTFPXJUNIT-XNJGSVPQSA-N 1 0 348.399 2.444 20 5 EEBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585489 467666681 /nfs/dbraw/zinc/66/66/81/467666681.db2.gz FERCIIRHCYHWCB-BLLLJJGKSA-N 1 0 334.351 2.477 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000457017916 467732672 /nfs/dbraw/zinc/73/26/72/467732672.db2.gz CNOPBKXPAMYUCX-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486925055 468013093 /nfs/dbraw/zinc/01/30/93/468013093.db2.gz FEWIKJZYSNKGFY-LBPRGKRZSA-N 1 0 331.376 2.423 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000486929422 468014000 /nfs/dbraw/zinc/01/40/00/468014000.db2.gz CXGUZZRGLOOHKY-UHFFFAOYSA-N 1 0 329.360 2.177 20 5 EEBDRO CCOc1cc(NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000486974748 468016255 /nfs/dbraw/zinc/01/62/55/468016255.db2.gz TUQNFRVKGULOQF-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594437046 468586594 /nfs/dbraw/zinc/58/65/94/468586594.db2.gz SOGKWPDVWJKCEZ-CRAIPNDOSA-N 1 0 329.400 2.476 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000556959373 468602694 /nfs/dbraw/zinc/60/26/94/468602694.db2.gz UXKUGYYYFLAFEF-PBFPGSCMSA-N 1 0 335.404 2.453 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC000597568710 468603048 /nfs/dbraw/zinc/60/30/48/468603048.db2.gz QCYYYRAREAMOMM-UHFFFAOYSA-N 1 0 343.305 2.391 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600716629 468630784 /nfs/dbraw/zinc/63/07/84/468630784.db2.gz ZPGAGOUIQMNDNA-AWEZNQCLSA-N 1 0 331.376 2.075 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629023 468639677 /nfs/dbraw/zinc/63/96/77/468639677.db2.gz WPZMKTLALIURRN-UHFFFAOYSA-N 1 0 333.388 2.108 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255425 468665755 /nfs/dbraw/zinc/66/57/55/468665755.db2.gz OYTFZYOXBDXJIT-ZIAGYGMSSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000558259780 468670838 /nfs/dbraw/zinc/67/08/38/468670838.db2.gz XFMBCNPOQMFFEW-OLZOCXBDSA-N 1 0 326.418 2.379 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854609 468694121 /nfs/dbraw/zinc/69/41/21/468694121.db2.gz JUBFZTNYWOETPG-GFCCVEGCSA-N 1 0 334.420 2.487 20 5 EEBDRO CN(CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000597860954 468697307 /nfs/dbraw/zinc/69/73/07/468697307.db2.gz QCRQJBMQGDYIQN-CQSZACIVSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592489563 468710528 /nfs/dbraw/zinc/71/05/28/468710528.db2.gz NPMXBTRLTQQRIG-DGCLKSJQSA-N 1 0 343.387 2.118 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569019 468731686 /nfs/dbraw/zinc/73/16/86/468731686.db2.gz VLDLJIJPGUOUMP-LBPRGKRZSA-N 1 0 335.429 2.478 20 5 EEBDRO COc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594994124 468740247 /nfs/dbraw/zinc/74/02/47/468740247.db2.gz CBLXBQNUDZBJOE-QGZVFWFLSA-N 1 0 338.404 2.261 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000601188215 468775229 /nfs/dbraw/zinc/77/52/29/468775229.db2.gz DPOFIUHCIBCZNU-LBPRGKRZSA-N 1 0 336.392 2.005 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000598262505 468810220 /nfs/dbraw/zinc/81/02/20/468810220.db2.gz LQEBKHJNAMDVRF-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595322799 468812127 /nfs/dbraw/zinc/81/21/27/468812127.db2.gz OLDMDPLPCZDUKQ-UHFFFAOYSA-N 1 0 325.384 2.013 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595344775 468818023 /nfs/dbraw/zinc/81/80/23/468818023.db2.gz IXMOKYWXRJGQNN-CQSZACIVSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)O[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053755 468853404 /nfs/dbraw/zinc/85/34/04/468853404.db2.gz LPPLDVXIYYJFAS-GJZGRUSLSA-N 1 0 338.404 2.224 20 5 EEBDRO COc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000598541980 468907530 /nfs/dbraw/zinc/90/75/30/468907530.db2.gz PQKKJEKVSOJZRG-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595576241 468908825 /nfs/dbraw/zinc/90/88/25/468908825.db2.gz XHRAIYHCFVBSDV-AWEZNQCLSA-N 1 0 334.420 2.309 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595597474 468916839 /nfs/dbraw/zinc/91/68/39/468916839.db2.gz RIFVKKXPOMNESG-QGZVFWFLSA-N 1 0 334.416 2.295 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598590863 468925593 /nfs/dbraw/zinc/92/55/93/468925593.db2.gz RJVGHRCURZIPEB-NEPJUHHUSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598647010 468943465 /nfs/dbraw/zinc/94/34/65/468943465.db2.gz BOTGSENXRVVLIG-JSGCOSHPSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595674538 468949057 /nfs/dbraw/zinc/94/90/57/468949057.db2.gz LDYOUVAVFIVRNL-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO CNc1ccc(-c2nc([C@@H]3CN(C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000572656368 468965187 /nfs/dbraw/zinc/96/51/87/468965187.db2.gz APEICNQRUQZGNC-AWEZNQCLSA-N 1 0 345.359 2.222 20 5 EEBDRO Cn1cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718037 468972133 /nfs/dbraw/zinc/97/21/33/468972133.db2.gz IXDMODXSKCVYHV-YJBOKZPZSA-N 1 0 341.415 2.309 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716545 468972271 /nfs/dbraw/zinc/97/22/71/468972271.db2.gz MEDIPDJFZHROLV-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716900 468972370 /nfs/dbraw/zinc/97/23/70/468972370.db2.gz VJQCPDUJQJLTBE-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@H]1C[N@H+](CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635449 468979109 /nfs/dbraw/zinc/97/91/09/468979109.db2.gz YVPCPWLDIPVGJN-ZDUSSCGKSA-N 1 0 348.403 2.327 20 5 EEBDRO Cc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000585117610 468979453 /nfs/dbraw/zinc/97/94/53/468979453.db2.gz NLDUTGHAHYFHTO-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000602659891 468994612 /nfs/dbraw/zinc/99/46/12/468994612.db2.gz YKGKFRYNPWPQRW-UHFFFAOYSA-N 1 0 331.372 2.394 20 5 EEBDRO C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)O1 ZINC000602690482 469013508 /nfs/dbraw/zinc/01/35/08/469013508.db2.gz NOSCSIBAAVMJSR-HZSPNIEDSA-N 1 0 334.420 2.362 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c(F)c1 ZINC000595806006 469021072 /nfs/dbraw/zinc/02/10/72/469021072.db2.gz CXMKBCMADJTTRI-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CCCN1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602712727 469027751 /nfs/dbraw/zinc/02/77/51/469027751.db2.gz FHODECQXHCXSSU-OAHLLOKOSA-N 1 0 333.436 2.033 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000610719180 469049707 /nfs/dbraw/zinc/04/97/07/469049707.db2.gz KEBPKLUZTHOKOY-CQSZACIVSA-N 1 0 349.435 2.180 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598976772 469073961 /nfs/dbraw/zinc/07/39/61/469073961.db2.gz PXNBHQMRGUFEDG-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593673197 469088604 /nfs/dbraw/zinc/08/86/04/469088604.db2.gz BHFWTDKTKMDHAH-CHWSQXEVSA-N 1 0 332.356 2.436 20 5 EEBDRO COc1cc(C[NH+]2CCC([C@@H](C)CO)CC2)c([N+](=O)[O-])cc1OC ZINC000593677324 469091695 /nfs/dbraw/zinc/09/16/95/469091695.db2.gz YSIZPZALCQOCSZ-LBPRGKRZSA-N 1 0 338.404 2.452 20 5 EEBDRO C[C@@]1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]C1 ZINC000595992077 469108807 /nfs/dbraw/zinc/10/88/07/469108807.db2.gz NTCMWTQFZNMSFC-OAHLLOKOSA-N 1 0 332.385 2.200 20 5 EEBDRO Cc1c(Br)c(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000599084179 469111485 /nfs/dbraw/zinc/11/14/85/469111485.db2.gz PJHSXGYJGMLHHV-GDGBQDQQSA-N 1 0 341.209 2.057 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CO2 ZINC000562998061 469130102 /nfs/dbraw/zinc/13/01/02/469130102.db2.gz YXMUPYZRVJSEOZ-RHSMWYFYSA-N 1 0 344.367 2.366 20 5 EEBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000596065020 469135541 /nfs/dbraw/zinc/13/55/41/469135541.db2.gz NHRHPOUDOLQYNB-WMLDXEAASA-N 1 0 338.404 2.129 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599161175 469141957 /nfs/dbraw/zinc/14/19/57/469141957.db2.gz URRCSDLZZBMIJE-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596078826 469145024 /nfs/dbraw/zinc/14/50/24/469145024.db2.gz UPDWAINPRMRKPQ-AWEZNQCLSA-N 1 0 336.436 2.350 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000588822966 469168361 /nfs/dbraw/zinc/16/83/61/469168361.db2.gz HMZAWVXZQPQADC-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOC3)CC2)c2c(c1)COCO2 ZINC000611177542 469183037 /nfs/dbraw/zinc/18/30/37/469183037.db2.gz GVMSEXIJMIJNRP-UHFFFAOYSA-N 1 0 334.372 2.464 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602955149 469188004 /nfs/dbraw/zinc/18/80/04/469188004.db2.gz YGRTWTBWMHHROC-CHWSQXEVSA-N 1 0 335.408 2.057 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1-n1cncn1)c1ccccc1[N+](=O)[O-] ZINC000589191313 469210019 /nfs/dbraw/zinc/21/00/19/469210019.db2.gz BAGVKVVNBLKZST-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611281034 469219013 /nfs/dbraw/zinc/21/90/13/469219013.db2.gz ORAPDUVUGFBTSU-JTQLQIEISA-N 1 0 347.462 2.027 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712256 469307328 /nfs/dbraw/zinc/30/73/28/469307328.db2.gz ZCLGUMVPSQEJMH-BLLLJJGKSA-N 1 0 327.388 2.459 20 5 EEBDRO C[NH2+]C(C)(C)c1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)nn1 ZINC000603216693 469312530 /nfs/dbraw/zinc/31/25/30/469312530.db2.gz XDFUHXRVXPHIOG-UHFFFAOYSA-N 1 0 333.392 2.476 20 5 EEBDRO C[C@@H]1CCCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602514325 469345875 /nfs/dbraw/zinc/34/58/75/469345875.db2.gz JICFFOQFWWONFC-OAHLLOKOSA-N 1 0 347.463 2.280 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3)nc2c1 ZINC000602535360 469353880 /nfs/dbraw/zinc/35/38/80/469353880.db2.gz ZFOQXAVEWPXYLE-VIFPVBQESA-N 1 0 344.293 2.462 20 5 EEBDRO CC[C@H](C)[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547008 469356706 /nfs/dbraw/zinc/35/67/06/469356706.db2.gz WDLLUHBUFPHGLJ-SUMWQHHRSA-N 1 0 336.436 2.345 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(CC4CC4)C3)CC2)cn1 ZINC000602567095 469364379 /nfs/dbraw/zinc/36/43/79/469364379.db2.gz UQVGGDYNWJJMIB-MRXNPFEDSA-N 1 0 345.447 2.033 20 5 EEBDRO COCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000612063856 469382827 /nfs/dbraw/zinc/38/28/27/469382827.db2.gz KDLUOGCHGMLVKR-OAHLLOKOSA-N 1 0 338.404 2.226 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000604474999 469481012 /nfs/dbraw/zinc/48/10/12/469481012.db2.gz SFYPCMWELQJKHN-GOSISDBHSA-N 1 0 349.431 2.160 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000619264416 469562931 /nfs/dbraw/zinc/56/29/31/469562931.db2.gz DQCILIBJQMBQPJ-AWEZNQCLSA-N 1 0 327.388 2.498 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000619583445 469645314 /nfs/dbraw/zinc/64/53/14/469645314.db2.gz RWFGXVZBSNRECA-CQSZACIVSA-N 1 0 335.404 2.082 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000609016479 469888759 /nfs/dbraw/zinc/88/87/59/469888759.db2.gz FHFNOVBEKIPMLD-KBPBESRZSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609135539 469894919 /nfs/dbraw/zinc/89/49/19/469894919.db2.gz PPYBISQBGAJCJH-CQSZACIVSA-N 1 0 335.404 2.135 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609268883 469911314 /nfs/dbraw/zinc/91/13/14/469911314.db2.gz HLTXMXDXHVNNMA-LBPRGKRZSA-N 1 0 341.795 2.089 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609671951 469954029 /nfs/dbraw/zinc/95/40/29/469954029.db2.gz RNKYMEBRBBOPTR-CQSZACIVSA-N 1 0 338.404 2.224 20 5 EEBDRO C[N@@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000609891904 469969047 /nfs/dbraw/zinc/96/90/47/469969047.db2.gz JGJRKPOONPXPQZ-UHFFFAOYSA-N 1 0 327.816 2.083 20 5 EEBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1[N+](=O)[O-] ZINC000609965091 469971779 /nfs/dbraw/zinc/97/17/79/469971779.db2.gz SNMNWTQLCZFBOK-UHFFFAOYSA-N 1 0 341.415 2.248 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000618445593 469990558 /nfs/dbraw/zinc/99/05/58/469990558.db2.gz CJZGUTPLMZTEKJ-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368118 470008275 /nfs/dbraw/zinc/00/82/75/470008275.db2.gz YJJJHCYSVKMDBK-MRXNPFEDSA-N 1 0 348.403 2.073 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610369443 470008667 /nfs/dbraw/zinc/00/86/67/470008667.db2.gz OBHVTKBBNXHISY-SFHVURJKSA-N 1 0 346.383 2.480 20 5 EEBDRO Cc1ccc(NC(=O)CC[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000591735635 485594857 /nfs/dbraw/zinc/59/48/57/485594857.db2.gz ZWIOSWUMPDCPCT-UHFFFAOYSA-N 1 0 344.371 2.295 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430595630 485702939 /nfs/dbraw/zinc/70/29/39/485702939.db2.gz VFUVPOYGSRLUFW-BBRMVZONSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000173836978 534316791 /nfs/dbraw/zinc/31/67/91/534316791.db2.gz PLQZKQMBLWTEPU-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154366245 528111006 /nfs/dbraw/zinc/11/10/06/528111006.db2.gz JRFJHXLLSHLJQL-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534436 528207941 /nfs/dbraw/zinc/20/79/41/528207941.db2.gz PYIVDVCFAQSLJT-XJKSGUPXSA-N 1 0 348.403 2.290 20 5 EEBDRO CC1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178167182 528236718 /nfs/dbraw/zinc/23/67/18/528236718.db2.gz RHVWFQPZUXLIKM-UHFFFAOYSA-N 1 0 334.420 2.419 20 5 EEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2c(c1)OCO2 ZINC000159740248 528612787 /nfs/dbraw/zinc/61/27/87/528612787.db2.gz ZFHXCHYAAVDILO-UHFFFAOYSA-N 1 0 345.355 2.007 20 5 EEBDRO CCC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178671804 529006756 /nfs/dbraw/zinc/00/67/56/529006756.db2.gz DFIAMMCYXHTTEZ-QGZVFWFLSA-N 1 0 348.447 2.190 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491532557 535857717 /nfs/dbraw/zinc/85/77/17/535857717.db2.gz LNDXDIKAWOFPJV-SCOAYWHSSA-N 1 0 347.415 2.177 20 5 EEBDRO COc1cc(C[NH2+]CCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000266137504 536796581 /nfs/dbraw/zinc/79/65/81/536796581.db2.gz GBSCVLJYDNSYTL-UHFFFAOYSA-N 1 0 340.376 2.433 20 5 EEBDRO CC(C)[C@@H](C)[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726587123 576278465 /nfs/dbraw/zinc/27/84/65/576278465.db2.gz VFDDPRPYZHTYIF-GFCCVEGCSA-N 1 0 334.376 2.297 20 5 EEBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521148 576663052 /nfs/dbraw/zinc/66/30/52/576663052.db2.gz BPJGNGUBUZGGEQ-OLZOCXBDSA-N 1 0 334.420 2.478 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732031676 577142761 /nfs/dbraw/zinc/14/27/61/577142761.db2.gz GDLIWQQZCYFEBV-CQSZACIVSA-N 1 0 332.404 2.017 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000732804454 577193086 /nfs/dbraw/zinc/19/30/86/577193086.db2.gz ZBYDQRQHTZXAOV-LBPRGKRZSA-N 1 0 332.404 2.258 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000733165316 577206111 /nfs/dbraw/zinc/20/61/11/577206111.db2.gz BQIYKNCMPOAZFA-AWEZNQCLSA-N 1 0 325.434 2.389 20 5 EEBDRO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000771780008 577229515 /nfs/dbraw/zinc/22/95/15/577229515.db2.gz IMOQLCPNZNIYCT-LBPRGKRZSA-N 1 0 347.371 2.440 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000733791710 577256908 /nfs/dbraw/zinc/25/69/08/577256908.db2.gz CJIGSZWPFWBSKR-AWEZNQCLSA-N 1 0 344.371 2.177 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cccc1[N+](=O)[O-] ZINC000773064149 577313661 /nfs/dbraw/zinc/31/36/61/577313661.db2.gz FAPZOECKNWFINH-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000773195984 577322167 /nfs/dbraw/zinc/32/21/67/577322167.db2.gz ZJJALALQFXPGTP-LBPRGKRZSA-N 1 0 332.404 2.383 20 5 EEBDRO COC(=O)C[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682048 577601642 /nfs/dbraw/zinc/60/16/42/577601642.db2.gz YPQLEOFMCDOHLT-BBOMDTFKSA-N 1 0 334.372 2.310 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000759696287 577647969 /nfs/dbraw/zinc/64/79/69/577647969.db2.gz GIQMKPNMDZYQOR-TXEJJXNPSA-N 1 0 349.391 2.432 20 5 EEBDRO CC[N@H+](CCC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000760539453 577665187 /nfs/dbraw/zinc/66/51/87/577665187.db2.gz UMOZRMMGDISZOB-UHFFFAOYSA-N 1 0 346.387 2.443 20 5 EEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000760579779 577666201 /nfs/dbraw/zinc/66/62/01/577666201.db2.gz MJKNOFBIZXRZHI-UHFFFAOYSA-N 1 0 330.388 2.161 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCc1ccccc1)C1CC1 ZINC000761653958 577687183 /nfs/dbraw/zinc/68/71/83/577687183.db2.gz DDIYSHKZITYALZ-UHFFFAOYSA-N 1 0 327.384 2.464 20 5 EEBDRO C[C@@H]([N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1(C)CC1 ZINC000753108349 577781685 /nfs/dbraw/zinc/78/16/85/577781685.db2.gz DAQJZIQQXGNSCX-GFCCVEGCSA-N 1 0 346.387 2.441 20 5 EEBDRO C[NH+]1CCC(NC(=S)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756787483 577850239 /nfs/dbraw/zinc/85/02/39/577850239.db2.gz FGZFYCMKQBSBJI-UHFFFAOYSA-N 1 0 342.852 2.307 20 5 EEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000742413109 577872661 /nfs/dbraw/zinc/87/26/61/577872661.db2.gz ZWCHZQZIYAXUEH-AAEUAGOBSA-N 1 0 332.404 2.382 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000746667126 577932074 /nfs/dbraw/zinc/93/20/74/577932074.db2.gz VRCXXYHDSAPAJQ-HOTGVXAUSA-N 1 0 339.823 2.279 20 5 EEBDRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749662485 577979510 /nfs/dbraw/zinc/97/95/10/577979510.db2.gz MAXYUSQWDCJZRC-KRWDZBQOSA-N 1 0 343.383 2.120 20 5 EEBDRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749670737 577979605 /nfs/dbraw/zinc/97/96/05/577979605.db2.gz LGGUTEVNDCUCGT-MRXNPFEDSA-N 1 0 332.356 2.435 20 5 EEBDRO C[S@](=O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000735084675 578133024 /nfs/dbraw/zinc/13/30/24/578133024.db2.gz OMUUKGLLENUIOU-NRFANRHFSA-N 1 0 325.415 2.186 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001020494358 674936363 /nfs/dbraw/zinc/93/63/63/674936363.db2.gz HQVCYKSAZALRFO-GUWHFVFCSA-N 1 0 329.400 2.378 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000891347841 676417146 /nfs/dbraw/zinc/41/71/46/676417146.db2.gz KFCNDVKDGGAVMK-UHFFFAOYSA-N 1 0 343.387 2.179 20 5 EEBDRO C[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000840527102 676431394 /nfs/dbraw/zinc/43/13/94/676431394.db2.gz OMBRMWCZAMKTMU-CPCISQLKSA-N 1 0 337.273 2.404 20 5 EEBDRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177926383 681596300 /nfs/dbraw/zinc/59/63/00/681596300.db2.gz XNYYYDVCIBGIGA-UHFFFAOYSA-N 1 0 337.376 2.163 20 5 EEBDRO CC(F)(F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000982987625 681614147 /nfs/dbraw/zinc/61/41/47/681614147.db2.gz IQGLVXFXTCEFBE-HAQNSBGRSA-N 1 0 327.331 2.234 20 5 EEBDRO Cc1ccc(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000892536208 681625315 /nfs/dbraw/zinc/62/53/15/681625315.db2.gz BUAAPDZVKXBSEV-QDMKHBRRSA-N 1 0 332.404 2.233 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108459435 682741254 /nfs/dbraw/zinc/74/12/54/682741254.db2.gz LJTJAJYCGVTZAG-CYBMUJFWSA-N 1 0 348.359 2.026 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124899572 686146702 /nfs/dbraw/zinc/14/67/02/686146702.db2.gz ABIPLQHKKIBWDY-UWVGGRQHSA-N 1 0 347.824 2.105 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124899288 686146807 /nfs/dbraw/zinc/14/68/07/686146807.db2.gz ABIPLQHKKIBWDY-VHSXEESVSA-N 1 0 347.824 2.105 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262643767 687733956 /nfs/dbraw/zinc/73/39/56/687733956.db2.gz UCPRNTNWTOVUHQ-NHCYSSNCSA-N 1 0 341.795 2.259 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000897418945 689328224 /nfs/dbraw/zinc/32/82/24/689328224.db2.gz RQAOSRZVZKVGFK-UHFFFAOYSA-N 1 0 342.399 2.496 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000129134868 1177676302 /nfs/dbraw/zinc/67/63/02/1177676302.db2.gz ZTIPBTJYZYUJPB-ZBFHGGJFSA-N 1 0 343.387 2.312 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000843802668 1188554262 /nfs/dbraw/zinc/55/42/62/1188554262.db2.gz ZRVILZBHEYTHEC-UHFFFAOYSA-N 1 0 338.364 2.225 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccsc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936955 1189067571 /nfs/dbraw/zinc/06/75/71/1189067571.db2.gz YNKILSCUWKDJRD-HZPDHXFCSA-N 1 0 345.424 2.286 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000905522153 1189768212 /nfs/dbraw/zinc/76/82/12/1189768212.db2.gz WMXIOFQIWATBBY-GFCCVEGCSA-N 1 0 349.412 2.070 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3cccc(F)c3)CCC2)c1 ZINC000905564104 1189778527 /nfs/dbraw/zinc/77/85/27/1189778527.db2.gz KDQDMYKGMOMXOP-MRXNPFEDSA-N 1 0 348.378 2.003 20 5 EEBDRO COCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001128837742 1195807977 /nfs/dbraw/zinc/80/79/77/1195807977.db2.gz PAOFNGZAYIVAMI-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCSC1 ZINC000865583832 1198286785 /nfs/dbraw/zinc/28/67/85/1198286785.db2.gz XFGGZTVEKHEANO-CQSZACIVSA-N 1 0 329.397 2.075 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000874264778 1198840314 /nfs/dbraw/zinc/84/03/14/1198840314.db2.gz ZIPBHCYCRPIMIW-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825743466 1198933156 /nfs/dbraw/zinc/93/31/56/1198933156.db2.gz YHRWQRJZMYXNJR-WMZOPIPTSA-N 1 0 346.431 2.151 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000877125577 1199866255 /nfs/dbraw/zinc/86/62/55/1199866255.db2.gz PPZCSABHRJKEPY-SJLPKXTDSA-N 1 0 330.384 2.212 20 5 EEBDRO Cc1c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000877345994 1199909362 /nfs/dbraw/zinc/90/93/62/1199909362.db2.gz FMFCJLBFQGMRPJ-OAHLLOKOSA-N 1 0 325.368 2.348 20 5 EEBDRO COc1ncc([N+](=O)[O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001170631358 1199967419 /nfs/dbraw/zinc/96/74/19/1199967419.db2.gz UQPJQBURLBVNQU-UHFFFAOYSA-N 1 0 347.419 2.127 20 5 EEBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001132730526 1199972747 /nfs/dbraw/zinc/97/27/47/1199972747.db2.gz ZGTYEWLOFIVQSD-UHFFFAOYSA-N 1 0 330.388 2.244 20 5 EEBDRO Cc1cccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001133182553 1200558863 /nfs/dbraw/zinc/55/88/63/1200558863.db2.gz FQNLSLBZKMZRPO-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC[C@@H]1CCOC1 ZINC000866262333 1201479210 /nfs/dbraw/zinc/47/92/10/1201479210.db2.gz SWKQPHBLTJQOPP-QWHCGFSZSA-N 1 0 326.368 2.308 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000882725938 1201929023 /nfs/dbraw/zinc/92/90/23/1201929023.db2.gz FTRCARASTPKTTM-CQSZACIVSA-N 1 0 335.404 2.341 20 5 EEBDRO COc1ccc(CC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889833613 1204722147 /nfs/dbraw/zinc/72/21/47/1204722147.db2.gz IOBGLLFAYOKQSG-UHFFFAOYSA-N 1 0 347.415 2.279 20 5 EEBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924899432 1206048214 /nfs/dbraw/zinc/04/82/14/1206048214.db2.gz FKKFDZBWNUPNOS-SWLSCSKDSA-N 1 0 346.387 2.062 20 5 EEBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000925196372 1206082273 /nfs/dbraw/zinc/08/22/73/1206082273.db2.gz FKKFDZBWNUPNOS-IUODEOHRSA-N 1 0 346.387 2.062 20 5 EEBDRO CC(C)CC(=O)NCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001111309929 1210112650 /nfs/dbraw/zinc/11/26/50/1210112650.db2.gz FAZMZKBWJJNEDM-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000078231728 1210118068 /nfs/dbraw/zinc/11/80/68/1210118068.db2.gz CFFCAGFLMFPEAR-LLVKDONJSA-N 1 0 336.348 2.026 20 5 EEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000119777182 1229597618 /nfs/dbraw/zinc/59/76/18/1229597618.db2.gz WIWVBWARBLGWNU-NSHDSACASA-N 1 0 349.478 2.301 20 5 EEBDRO CC1(NC(=O)c2ccon2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045373198 1233701552 /nfs/dbraw/zinc/70/15/52/1233701552.db2.gz WYRFUKVMRIJCKX-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO Cc1ccc(C)c(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001045436597 1233744790 /nfs/dbraw/zinc/74/47/90/1233744790.db2.gz SSSDFDGILYHFNW-IAGOWNOFSA-N 1 0 345.443 2.439 20 5 EEBDRO CC[NH+](CC)Cc1ccc(C(=O)OCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000801425651 1235562437 /nfs/dbraw/zinc/56/24/37/1235562437.db2.gz KNZAFZUSXWQXOT-UHFFFAOYSA-N 1 0 346.387 2.490 20 5 EEBDRO CC(C)(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC001055970507 1238541270 /nfs/dbraw/zinc/54/12/70/1238541270.db2.gz VTLLNGKIYTYSNU-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO O=C(NCC1=CC[N@H+](CCC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674444 1240708372 /nfs/dbraw/zinc/70/83/72/1240708372.db2.gz OQXUBFHWHKWNIU-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101367422 1245724289 /nfs/dbraw/zinc/72/42/89/1245724289.db2.gz SGEVYTSBDJEOJM-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001134754539 1278018632 /nfs/dbraw/zinc/01/86/32/1278018632.db2.gz RZYIIWMPTJUGAZ-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851950881 1291928701 /nfs/dbraw/zinc/92/87/01/1291928701.db2.gz ABBAHYUJWUVCJZ-ZYHUDNBSSA-N 1 0 340.380 2.238 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000852121960 1292000039 /nfs/dbraw/zinc/00/00/39/1292000039.db2.gz CKACXHGRRLDRRP-UHFFFAOYSA-N 1 0 339.411 2.306 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764847 1293910748 /nfs/dbraw/zinc/91/07/48/1293910748.db2.gz CAUPQLNCGKONPI-WDEREUQCSA-N 1 0 343.330 2.152 20 5 EEBDRO O=C1NCCN1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000886745464 1296707687 /nfs/dbraw/zinc/70/76/87/1296707687.db2.gz XWKJBIMEFXTAJF-QGZVFWFLSA-N 1 0 340.383 2.299 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CCC[C@@]23CC[NH2+]C3)[nH]1 ZINC001218096147 1297570902 /nfs/dbraw/zinc/57/09/02/1297570902.db2.gz STPKECWQZYTDKJ-BBRMVZONSA-N 1 0 330.344 2.155 20 5 EEBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001227124958 1301701577 /nfs/dbraw/zinc/70/15/77/1301701577.db2.gz ULOAUMWPQNRABU-JYAVWHMHSA-N 1 0 334.372 2.491 20 5 EEBDRO O=c1[nH]cnc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001228140727 1302122230 /nfs/dbraw/zinc/12/22/30/1302122230.db2.gz MLAVROHMQOXCPL-LBPRGKRZSA-N 1 0 348.334 2.273 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103432124 1302952291 /nfs/dbraw/zinc/95/22/91/1302952291.db2.gz RUACFLSRRXKBCB-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO C[NH+](C)CCC(=O)NC1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001103455986 1302985894 /nfs/dbraw/zinc/98/58/94/1302985894.db2.gz QNBYOEKZHOHKBF-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC001103645327 1303183583 /nfs/dbraw/zinc/18/35/83/1303183583.db2.gz SAMWXDPGSLEDMH-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO O=C(NCC1([NH2+]CCc2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530926 1305286986 /nfs/dbraw/zinc/28/69/86/1305286986.db2.gz ZDSHUNQMBSJANR-IAGOWNOFSA-N 1 0 345.443 2.303 20 5 EEBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001119321806 1309048748 /nfs/dbraw/zinc/04/87/48/1309048748.db2.gz KJBJVEIWNYMBAI-PWSUYJOCSA-N 1 0 341.795 2.226 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001120559166 1309610437 /nfs/dbraw/zinc/61/04/37/1309610437.db2.gz NVTWWJYLUDTXQE-KRWDZBQOSA-N 1 0 329.400 2.177 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2[C@H](C)C[NH2+]C[C@H]2C)c1F ZINC001246884664 1310458988 /nfs/dbraw/zinc/45/89/88/1310458988.db2.gz SWOOLLSKQXITBJ-QJPTWQEYSA-N 1 0 325.384 2.356 20 5 EEBDRO COCCN([C@H]1CC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246930024 1310468909 /nfs/dbraw/zinc/46/89/09/1310468909.db2.gz RJQCVMUVEPSONY-AEFFLSMTSA-N 1 0 333.432 2.153 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(CN[C@H]4CC[NH2+]C4)n3)nc12 ZINC001247697695 1310684768 /nfs/dbraw/zinc/68/47/68/1310684768.db2.gz HZOZPWCTJXYGFR-AWEZNQCLSA-N 1 0 346.394 2.285 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@]3(CO2)CCC[NH2+]C3)n1 ZINC001247931735 1310788326 /nfs/dbraw/zinc/78/83/26/1310788326.db2.gz MUJVDMFTXJVSPR-ABAIWWIYSA-N 1 0 349.322 2.010 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247940088 1310790897 /nfs/dbraw/zinc/79/08/97/1310790897.db2.gz KPCIOANIORQAKH-HOSYDEDBSA-N 1 0 347.350 2.357 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476484 1315712780 /nfs/dbraw/zinc/71/27/80/1315712780.db2.gz PNUNMAPNUWPFJZ-HFBDOXOYSA-N 1 0 340.811 2.163 20 5 EEBDRO C[NH2+]C[C@@H](C)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000842579186 1315725309 /nfs/dbraw/zinc/72/53/09/1315725309.db2.gz MBKFUSQHFWRBTK-SNVBAGLBSA-N 1 0 328.332 2.153 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000843132703 1315850973 /nfs/dbraw/zinc/85/09/73/1315850973.db2.gz HCCCNDKLCPCAPE-UHFFFAOYSA-N 1 0 331.376 2.175 20 5 EEBDRO C[C@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]C1 ZINC000843169849 1315857575 /nfs/dbraw/zinc/85/75/75/1315857575.db2.gz UQGUUEFRZINTIS-PWSUYJOCSA-N 1 0 331.376 2.405 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001149630428 1316001586 /nfs/dbraw/zinc/00/15/86/1316001586.db2.gz WRLIWLJGEODXFZ-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1scnc1Cl ZINC001151213490 1316477789 /nfs/dbraw/zinc/47/77/89/1316477789.db2.gz OGRJLRJMNAVISD-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)c2c1 ZINC001155510418 1317628646 /nfs/dbraw/zinc/62/86/46/1317628646.db2.gz KZOJZEAYKATNMT-LERXQTSPSA-N 1 0 334.763 2.195 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155616462 1317675235 /nfs/dbraw/zinc/67/52/35/1317675235.db2.gz DMCMVHIOLJZYHU-YGRLFVJLSA-N 1 0 326.784 2.275 20 5 EEBDRO Cn1cc2c(n1)CC[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254479326 1318084401 /nfs/dbraw/zinc/08/44/01/1318084401.db2.gz XTQDXUMSBYJKIE-UHFFFAOYSA-N 1 0 341.415 2.355 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1-n1cnnn1 ZINC001254538966 1318116040 /nfs/dbraw/zinc/11/60/40/1318116040.db2.gz AFMXHNHADQEUHG-CYBMUJFWSA-N 1 0 338.371 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ccncn1)C1CC[NH2+]CC1)C2 ZINC001254610350 1318144171 /nfs/dbraw/zinc/14/41/71/1318144171.db2.gz JZIFMTBXGDNWHA-KRWDZBQOSA-N 1 0 339.399 2.111 20 5 EEBDRO [NH3+]CCc1ccn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)n1 ZINC001156905258 1318277375 /nfs/dbraw/zinc/27/73/75/1318277375.db2.gz JIPGSLHQAWYQOC-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO COc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001156929359 1318296337 /nfs/dbraw/zinc/29/63/37/1318296337.db2.gz UQFAAKGPZYHMAS-NSHDSACASA-N 1 0 339.396 2.078 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cncnc3)CC2)ccc1[N+](=O)[O-] ZINC001256087278 1318644642 /nfs/dbraw/zinc/64/46/42/1318644642.db2.gz VHBOMTWIKCULBV-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO COc1cc(N2CCC(n3c(C)cnc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256087757 1318645467 /nfs/dbraw/zinc/64/54/67/1318645467.db2.gz OGROCSHNDUFXTO-UHFFFAOYSA-N 1 0 345.403 2.409 20 5 EEBDRO Cc1nc(Cl)nc(N2CCCC[C@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157469061 1318659789 /nfs/dbraw/zinc/65/97/89/1318659789.db2.gz WVCAXKUYSBKRCA-CQSZACIVSA-N 1 0 325.800 2.459 20 5 EEBDRO COCC1(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001157814562 1318880584 /nfs/dbraw/zinc/88/05/84/1318880584.db2.gz NFYIYNZXUXEVDD-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001159241195 1319701096 /nfs/dbraw/zinc/70/10/96/1319701096.db2.gz YJVAAMOLFODFHL-JTNHKYCSSA-N 1 0 344.799 2.088 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160196152 1320095823 /nfs/dbraw/zinc/09/58/23/1320095823.db2.gz SNWOHLGWJCMDDA-GFCCVEGCSA-N 1 0 337.339 2.396 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2cc([N+](=O)[O-])cc(Cl)n2)C2COC2)CC1 ZINC001161275417 1320441764 /nfs/dbraw/zinc/44/17/64/1320441764.db2.gz TYJJYENEBCEGEF-MGCOHNPYSA-N 1 0 326.784 2.118 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c2ncnc(Cl)c2c1 ZINC001162803547 1320962533 /nfs/dbraw/zinc/96/25/33/1320962533.db2.gz SNOPPNTTYUGERM-KPXOXKRLSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)nc21 ZINC001163088142 1321031869 /nfs/dbraw/zinc/03/18/69/1321031869.db2.gz WYNZJCGPRBGWDG-GFCCVEGCSA-N 1 0 346.362 2.463 20 5 EEBDRO NC1=CC=C(C2CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)[NH2+]C1 ZINC001163133194 1321047549 /nfs/dbraw/zinc/04/75/49/1321047549.db2.gz CYIBCOXYSVVQOH-UHFFFAOYSA-N 1 0 340.387 2.017 20 5 EEBDRO Cc1cncc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001163317803 1321095974 /nfs/dbraw/zinc/09/59/74/1321095974.db2.gz HGULKWPNPKPTKC-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CCOC(=O)c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163328518 1321099195 /nfs/dbraw/zinc/09/91/95/1321099195.db2.gz QFUNUNHPFVYEJL-GUYCJALGSA-N 1 0 349.387 2.095 20 5 EEBDRO CN1Cc2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)cc([N+](=O)[O-])c2N1 ZINC001163653944 1321182313 /nfs/dbraw/zinc/18/23/13/1321182313.db2.gz TXZNEIZIFCQWEF-DOTOQJQBSA-N 1 0 347.419 2.080 20 5 EEBDRO CCCOCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163694130 1321194874 /nfs/dbraw/zinc/19/48/74/1321194874.db2.gz RQFVZISNYPXWJS-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COc1cc2ncnc(N3C[C@H](C[NH3+])CC[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164469252 1321388651 /nfs/dbraw/zinc/38/86/51/1321388651.db2.gz ZDGNJXXLGWIZJN-MNOVXSKESA-N 1 0 331.376 2.110 20 5 EEBDRO O=C(NCCC1(C[NH2+]CC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494558 1321395755 /nfs/dbraw/zinc/39/57/55/1321395755.db2.gz MFUAGUUNJRNHEA-HZPDHXFCSA-N 1 0 337.464 2.498 20 5 EEBDRO C[N@H+](C1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165204245 1321471453 /nfs/dbraw/zinc/47/14/53/1321471453.db2.gz XUCVQZLQRKXMCD-MRVPVSSYSA-N 1 0 347.202 2.206 20 5 EEBDRO [NH3+]CC1(F)CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165264055 1321486343 /nfs/dbraw/zinc/48/63/43/1321486343.db2.gz NSZNTIIDDXSCHE-UHFFFAOYSA-N 1 0 349.341 2.458 20 5 EEBDRO Cc1ncccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165451277 1321528498 /nfs/dbraw/zinc/52/84/98/1321528498.db2.gz UGCCGUVTFCULDF-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001166702830 1321769929 /nfs/dbraw/zinc/76/99/29/1321769929.db2.gz UCZVVIJMASZVNJ-CQSZACIVSA-N 1 0 336.355 2.233 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1-n1ncc2cc(N3CC[NH2+]CC3)ccc21 ZINC001167019165 1321840129 /nfs/dbraw/zinc/84/01/29/1321840129.db2.gz MAXBEGGHLAXWSN-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH2+][C@@H](Cc4ccccc4)C3)nc2c1 ZINC001307196570 1329820464 /nfs/dbraw/zinc/82/04/64/1329820464.db2.gz WNOQPFCDOZTEFI-AWEZNQCLSA-N 1 0 337.383 2.492 20 5 EEBDRO CCOC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001308119767 1331565813 /nfs/dbraw/zinc/56/58/13/1331565813.db2.gz CTOPLSSOACYZSQ-CYBMUJFWSA-N 1 0 349.387 2.117 20 5 EEBDRO COC(=O)CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC001308634858 1331600518 /nfs/dbraw/zinc/60/05/18/1331600518.db2.gz NJZYVBPIFMHRIQ-UHFFFAOYSA-N 1 0 326.349 2.083 20 5 EEBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308862175 1331607221 /nfs/dbraw/zinc/60/72/21/1331607221.db2.gz SZKTZIZEBVQHFM-LNSITVRQSA-N 1 0 349.387 2.392 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001318079257 1332468731 /nfs/dbraw/zinc/46/87/31/1332468731.db2.gz ZZLNHHMNTNCSHB-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318829990 1332606039 /nfs/dbraw/zinc/60/60/39/1332606039.db2.gz ZDFXBOCCMVMICT-HZPDHXFCSA-N 1 0 330.388 2.247 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001326515616 1334108301 /nfs/dbraw/zinc/10/83/01/1334108301.db2.gz IDGFWHSGUPXMQS-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001326571861 1334117587 /nfs/dbraw/zinc/11/75/87/1334117587.db2.gz KXSAHWASXKDACP-UONOGXRCSA-N 1 0 349.387 2.163 20 5 EEBDRO Cc1cc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001333206231 1335982884 /nfs/dbraw/zinc/98/28/84/1335982884.db2.gz UMXYTFLSCOFJAI-UHFFFAOYSA-N 1 0 336.436 2.217 20 5 EEBDRO CC(C)(C)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336000394 1336463630 /nfs/dbraw/zinc/46/36/30/1336463630.db2.gz CHKLMKOARPOVIX-CYBMUJFWSA-N 1 0 334.420 2.386 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H](F)C2)cc1 ZINC001336841704 1336603817 /nfs/dbraw/zinc/60/38/17/1336603817.db2.gz XZQLHAZZKKBDIS-NEPJUHHUSA-N 1 0 330.381 2.239 20 5 EEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291680 1336677607 /nfs/dbraw/zinc/67/76/07/1336677607.db2.gz YPERXFIHRQWULP-YOEHRIQHSA-N 1 0 344.415 2.316 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001337744288 1336732795 /nfs/dbraw/zinc/73/27/95/1336732795.db2.gz ZNODXFLWZUZXKF-UHFFFAOYSA-N 1 0 327.331 2.335 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001578683796 1340478219 /nfs/dbraw/zinc/47/82/19/1340478219.db2.gz AAELSVNJWONXTI-UHFFFAOYSA-N 1 0 345.197 2.431 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001578606315 1344291213 /nfs/dbraw/zinc/29/12/13/1344291213.db2.gz BIOPALVBWNUIBY-ZCFIWIBFSA-N 1 0 336.150 2.475 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580262986 1344502838 /nfs/dbraw/zinc/50/28/38/1344502838.db2.gz GBUWEVONTCDXQN-VIFPVBQESA-N 1 0 331.294 2.425 20 5 EEBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001580277682 1344505340 /nfs/dbraw/zinc/50/53/40/1344505340.db2.gz XXFNUBVNIDWRFG-VXNVDRBHSA-N 1 0 334.254 2.076 20 5 EEBDRO O=C(CSC1C[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001580565269 1344537763 /nfs/dbraw/zinc/53/77/63/1344537763.db2.gz PYTTWKLAMDSLOH-UHFFFAOYSA-N 1 0 335.307 2.257 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001580570296 1344539002 /nfs/dbraw/zinc/53/90/02/1344539002.db2.gz XINBMNCHTCXPJU-UKRRQHHQSA-N 1 0 335.379 2.267 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591187692 1349446994 /nfs/dbraw/zinc/44/69/94/1349446994.db2.gz WTWJZPIRJYCVBT-SNVBAGLBSA-N 1 0 349.370 2.058 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001607084440 1351410780 /nfs/dbraw/zinc/41/07/80/1351410780.db2.gz GFSBGCCXWWQGKF-LBPRGKRZSA-N 1 0 343.391 2.204 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000851821774 1369247500 /nfs/dbraw/zinc/24/75/00/1369247500.db2.gz ZRGKOLVJEVDTNJ-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001117993326 1371771144 /nfs/dbraw/zinc/77/11/44/1371771144.db2.gz SPCNXOQVEYAZEE-UHFFFAOYSA-N 1 0 337.376 2.054 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000829965333 1372303375 /nfs/dbraw/zinc/30/33/75/1372303375.db2.gz PPABOIJGGICVCP-IAGOWNOFSA-N 1 0 340.383 2.476 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)O[C@H]1C[C@@H](N2CCOCC2)C1 ZINC000838911528 1372875542 /nfs/dbraw/zinc/87/55/42/1372875542.db2.gz COVCFRIHGJQODD-SFEDUPDISA-N 1 0 332.356 2.014 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881372 1403614421 /nfs/dbraw/zinc/61/44/21/1403614421.db2.gz UDSPJIYNQLPVEO-DCAQKATOSA-N 1 0 327.331 2.284 20 5 EEBDRO CCNc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001577902099 1403693120 /nfs/dbraw/zinc/69/31/20/1403693120.db2.gz JPDCTLLNYPYHLG-CALCHBBNSA-N 1 0 332.404 2.098 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH3+])cc1 ZINC001578194596 1403724244 /nfs/dbraw/zinc/72/42/44/1403724244.db2.gz SIIKTQSYTUSYRH-UHFFFAOYSA-N 1 0 329.356 2.382 20 5 EEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001164814879 720073610 /nfs/dbraw/zinc/07/36/10/720073610.db2.gz XSOOBBKEGVYATF-QAPCUYQASA-N 1 0 346.431 2.175 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)n1 ZINC001167068987 757124508 /nfs/dbraw/zinc/12/45/08/757124508.db2.gz HKPPHRQHWIZHAP-UHFFFAOYSA-N 1 0 325.372 2.466 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001091347521 790336440 /nfs/dbraw/zinc/33/64/40/790336440.db2.gz GLISLYMAOHSBIP-FZNQNYSPSA-N 1 0 346.431 2.306 20 5 EEBDRO CCc1nn(C)c(CC)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734586 783315436 /nfs/dbraw/zinc/31/54/36/783315436.db2.gz KSBUMDOCNOHTJN-UHFFFAOYSA-N 1 0 331.420 2.418 20 5 EEBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)oc1C ZINC000809734864 783319271 /nfs/dbraw/zinc/31/92/71/783319271.db2.gz MTXIQKWDRFDCOT-UHFFFAOYSA-N 1 0 333.344 2.248 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818560218 785292333 /nfs/dbraw/zinc/29/23/33/785292333.db2.gz DSGFBAXKTLYJDF-GXFFZTMASA-N 1 0 336.348 2.153 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000819171621 785446327 /nfs/dbraw/zinc/44/63/27/785446327.db2.gz KOHCWYPNDKWAMA-CVEARBPZSA-N 1 0 344.367 2.448 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000819210088 785472076 /nfs/dbraw/zinc/47/20/76/785472076.db2.gz RMSVAEPQWNSXNC-HZPDHXFCSA-N 1 0 336.388 2.294 20 5 EEBDRO Cc1nn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000819896503 785704667 /nfs/dbraw/zinc/70/46/67/785704667.db2.gz DLPTXCXMDNLPRW-FUHWJXTLSA-N 1 0 341.415 2.264 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107275208 786686135 /nfs/dbraw/zinc/68/61/35/786686135.db2.gz QNVPUMVYVNWREB-SREVYHEPSA-N 1 0 334.420 2.411 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107321648 786858614 /nfs/dbraw/zinc/85/86/14/786858614.db2.gz IMDUKTQQGHFWAD-PLNGDYQASA-N 1 0 338.383 2.160 20 5 EEBDRO C[NH+](C)C1(C(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CCC1 ZINC001107379904 787070922 /nfs/dbraw/zinc/07/09/22/787070922.db2.gz OSCVKDOVDLTMAJ-WAYWQWQTSA-N 1 0 332.404 2.163 20 5 EEBDRO CC[NH+]1CCC(n2nccc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823026140 787538663 /nfs/dbraw/zinc/53/86/63/787538663.db2.gz XLIYDWUGQIUZJX-UHFFFAOYSA-N 1 0 337.424 2.314 20 5 EEBDRO C[N@H+](CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001107564904 787666147 /nfs/dbraw/zinc/66/61/47/787666147.db2.gz JZUVVLDYYBJMIZ-IHWYPQMZSA-N 1 0 332.404 2.163 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000911906861 787818834 /nfs/dbraw/zinc/81/88/34/787818834.db2.gz LIEJNJNJKVPNEL-IVMMDQJWSA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923444661 789554316 /nfs/dbraw/zinc/55/43/16/789554316.db2.gz SGMQRXVORWZGTK-RDBSUJKOSA-N 1 0 334.420 2.303 20 5 EEBDRO CC(C)(C)c1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001127172073 790251695 /nfs/dbraw/zinc/25/16/95/790251695.db2.gz BWHVHENCZKEOSW-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO CC(C)(C)c1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001127172210 790252312 /nfs/dbraw/zinc/25/23/12/790252312.db2.gz JKNYGJBXXZWKCM-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO COc1ncc([N+](=O)[O-])cc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171286588 791514458 /nfs/dbraw/zinc/51/44/58/791514458.db2.gz XXSHLXSWTGUQMV-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(C)(C)C[NH+](C)C ZINC000173056932 791811341 /nfs/dbraw/zinc/81/13/41/791811341.db2.gz ITWGZQOTLQVQHL-GFCCVEGCSA-N 1 0 336.436 2.367 20 5 EEBDRO Cc1cc(NCCNC(=O)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094033443 795886099 /nfs/dbraw/zinc/88/60/99/795886099.db2.gz NYVFJVXOTJUJTL-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922583 797153191 /nfs/dbraw/zinc/15/31/91/797153191.db2.gz YWFWSBALPSTSFX-WBVHZDCISA-N 1 0 331.416 2.395 20 5 EEBDRO CC1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)COC1 ZINC001173005927 797193916 /nfs/dbraw/zinc/19/39/16/797193916.db2.gz LTPAXAVITRXBEL-UHFFFAOYSA-N 1 0 341.358 2.468 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCC[C@@H]3CO)CC2)c(F)c1 ZINC001173010241 797196087 /nfs/dbraw/zinc/19/60/87/797196087.db2.gz OSINDEGUYWNBSL-GFCCVEGCSA-N 1 0 341.358 2.299 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cnc3c2C[NH2+]CC3)c1F ZINC001173179335 797278695 /nfs/dbraw/zinc/27/86/95/797278695.db2.gz DQTQGHAUEPRMDP-SNVBAGLBSA-N 1 0 334.351 2.388 20 5 EEBDRO COCCOCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185269 797280382 /nfs/dbraw/zinc/28/03/82/797280382.db2.gz XLHVUSHRZIINOQ-LBPRGKRZSA-N 1 0 344.383 2.316 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC001173190978 797281750 /nfs/dbraw/zinc/28/17/50/797281750.db2.gz YWSUFZHNGNDMPG-CHWSQXEVSA-N 1 0 337.395 2.454 20 5 EEBDRO Cc1ncoc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002538000 798219913 /nfs/dbraw/zinc/21/99/13/798219913.db2.gz YNFGNWINQCWBMW-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(CCc1cscn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177321831 798860923 /nfs/dbraw/zinc/86/09/23/798860923.db2.gz VZKZOHCAYMTCET-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168708488 799637637 /nfs/dbraw/zinc/63/76/37/799637637.db2.gz XYNYLBSQQDBESV-UHFFFAOYSA-N 1 0 349.354 2.220 20 5 EEBDRO Cc1cnoc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003889031 800432481 /nfs/dbraw/zinc/43/24/81/800432481.db2.gz LIVUFKKBOGVAOB-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2CC1 ZINC000946589189 801539697 /nfs/dbraw/zinc/53/96/97/801539697.db2.gz LLJXSWPPAAYYNR-XMTFNYHQSA-N 1 0 349.475 2.402 20 5 EEBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000786850392 806918914 /nfs/dbraw/zinc/91/89/14/806918914.db2.gz AGRFRFDKIIHBFG-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]c1 ZINC001086093385 802153217 /nfs/dbraw/zinc/15/32/17/802153217.db2.gz OAEFJWMMEPUCJT-OTVXOJSOSA-N 1 0 328.372 2.221 20 5 EEBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168978249 803543636 /nfs/dbraw/zinc/54/36/36/803543636.db2.gz QHBWNEXYLVCREX-OIISXLGYSA-N 1 0 331.416 2.326 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965995 803552559 /nfs/dbraw/zinc/55/25/59/803552559.db2.gz FMDNMUXQQXKGNV-OCCSQVGLSA-N 1 0 327.425 2.278 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168969921 803553805 /nfs/dbraw/zinc/55/38/05/803553805.db2.gz GLLXLWPUEGUONA-FQUUOJAGSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Br)cn2)C1 ZINC001168970957 803554524 /nfs/dbraw/zinc/55/45/24/803554524.db2.gz JIIORQZAZCUEOA-MFKMUULPSA-N 1 0 328.210 2.422 20 5 EEBDRO Cc1ccnc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168992327 803559970 /nfs/dbraw/zinc/55/99/70/803559970.db2.gz JJPAKWKRASHRRK-HOTGVXAUSA-N 1 0 333.432 2.473 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034966 803579735 /nfs/dbraw/zinc/57/97/35/803579735.db2.gz IXDYJUXEFPXDQQ-MGPQQGTHSA-N 1 0 327.425 2.278 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(CC)c21 ZINC001169019741 803588038 /nfs/dbraw/zinc/58/80/38/803588038.db2.gz JEMHBRKDDKCQCL-CWRNSKLLSA-N 1 0 336.436 2.284 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001169047044 803592654 /nfs/dbraw/zinc/59/26/54/803592654.db2.gz QJSBBHWQYAQCST-SUMWQHHRSA-N 1 0 349.406 2.465 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ncc3c2cccc3C[NH3+])c1 ZINC001169195195 803646064 /nfs/dbraw/zinc/64/60/64/803646064.db2.gz CJADMZIFGWXNCG-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804339363 804091635 /nfs/dbraw/zinc/09/16/35/804091635.db2.gz FGVDTWYGIIMTRR-TXEJJXNPSA-N 1 0 338.364 2.414 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])O1 ZINC001170271446 809857337 /nfs/dbraw/zinc/85/73/37/809857337.db2.gz ZTYOOKQBFHYIGU-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC001170295209 809869284 /nfs/dbraw/zinc/86/92/84/809869284.db2.gz BARILHNEMRCILU-GFCCVEGCSA-N 1 0 335.404 2.183 20 5 EEBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330105 809895080 /nfs/dbraw/zinc/89/50/80/809895080.db2.gz YTAZASARYLFJAN-TZMCWYRMSA-N 1 0 336.388 2.419 20 5 EEBDRO Cc1nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000793750973 810519777 /nfs/dbraw/zinc/51/97/77/810519777.db2.gz ZWDMJUYVVITIGC-QGZVFWFLSA-N 1 0 329.404 2.238 20 5 EEBDRO C[NH+]1C(C)(C)CC(Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC1(C)C ZINC001170454532 810893570 /nfs/dbraw/zinc/89/35/70/810893570.db2.gz WJCLHUDCHFRKDD-UHFFFAOYSA-N 1 0 335.408 2.152 20 5 EEBDRO [NH3+]CCOCCOCCNc1cc2cccnc2c2ncccc12 ZINC001170513069 812015424 /nfs/dbraw/zinc/01/54/24/812015424.db2.gz QYQMTULYMIAHRA-UHFFFAOYSA-N 1 0 326.400 2.187 20 5 EEBDRO Cc1cncc(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131295864 812621060 /nfs/dbraw/zinc/62/10/60/812621060.db2.gz CNYVFOOEWHUWFT-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174450965 231210081 /nfs/dbraw/zinc/21/00/81/231210081.db2.gz CCVIZPXGCNWKTJ-UHFFFAOYSA-N 1 0 344.799 2.338 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171804148 529468035 /nfs/dbraw/zinc/46/80/35/529468035.db2.gz HCJUCNZOSMFILH-BDJLRTHQSA-N 1 0 337.424 2.121 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000174255289 529831767 /nfs/dbraw/zinc/83/17/67/529831767.db2.gz NOIFKSHMVRKYFL-GOEBONIOSA-N 1 0 332.404 2.015 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129672386 529865325 /nfs/dbraw/zinc/86/53/25/529865325.db2.gz YJKKOZUJVLGMSU-UHFFFAOYSA-N 1 0 344.415 2.419 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000178681034 232370002 /nfs/dbraw/zinc/37/00/02/232370002.db2.gz PWVYDODMPNMPLL-NWDGAFQWSA-N 1 0 336.392 2.177 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000189840892 237305750 /nfs/dbraw/zinc/30/57/50/237305750.db2.gz ZKZQLUVAVQUSGY-AWEZNQCLSA-N 1 0 345.399 2.353 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000129515893 223063826 /nfs/dbraw/zinc/06/38/26/223063826.db2.gz SIZRBFXYPGPSJW-ZDUSSCGKSA-N 1 0 349.412 2.224 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131484278 223238392 /nfs/dbraw/zinc/23/83/92/223238392.db2.gz ZNIZWYHEQOYNON-QGZVFWFLSA-N 1 0 333.388 2.257 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000422834511 240250067 /nfs/dbraw/zinc/25/00/67/240250067.db2.gz HPVQKGOYFIREMQ-LLVKDONJSA-N 1 0 339.370 2.254 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1C ZINC000193703134 240270594 /nfs/dbraw/zinc/27/05/94/240270594.db2.gz RYADFLZCMHPHAU-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000075329318 216608942 /nfs/dbraw/zinc/60/89/42/216608942.db2.gz VHYZKEJWKOKPKH-ZDUSSCGKSA-N 1 0 334.420 2.289 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424053085 240814158 /nfs/dbraw/zinc/81/41/58/240814158.db2.gz NTKFXPQYCNUASN-MCIONIFRSA-N 1 0 334.420 2.229 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000425348844 241135001 /nfs/dbraw/zinc/13/50/01/241135001.db2.gz JRPJZJWLHHERNP-OAHLLOKOSA-N 1 0 331.376 2.422 20 5 EEBDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000229349969 242156202 /nfs/dbraw/zinc/15/62/02/242156202.db2.gz RMDHBJIHDZTSGC-KGLIPLIRSA-N 1 0 336.417 2.359 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236624607 242298364 /nfs/dbraw/zinc/29/83/64/242298364.db2.gz QOPQRZXCGFXLKH-SNVBAGLBSA-N 1 0 349.840 2.208 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236818775 242369763 /nfs/dbraw/zinc/36/97/63/242369763.db2.gz QBVAJQZATUPBSV-UHFFFAOYSA-N 1 0 345.403 2.243 20 5 EEBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451600444 243172232 /nfs/dbraw/zinc/17/22/32/243172232.db2.gz RTFSPUOTAGQHBI-GOEBONIOSA-N 1 0 337.420 2.072 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246050536 243185996 /nfs/dbraw/zinc/18/59/96/243185996.db2.gz PLAUOWXHQMJBKE-XKQJLSEDSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452134798 243349079 /nfs/dbraw/zinc/34/90/79/243349079.db2.gz VCHYXEJIJGBGTH-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455673583 244056986 /nfs/dbraw/zinc/05/69/86/244056986.db2.gz YIHAQVPZUSVFIR-LBPRGKRZSA-N 1 0 346.391 2.236 20 5 EEBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455778684 244077955 /nfs/dbraw/zinc/07/79/55/244077955.db2.gz WBVPZOMZTUOIBU-CYBMUJFWSA-N 1 0 347.419 2.026 20 5 EEBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3N)ccc21 ZINC000456279909 244204930 /nfs/dbraw/zinc/20/49/30/244204930.db2.gz PUABHZSXAQBSJN-OAHLLOKOSA-N 1 0 341.371 2.373 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262522233 245013706 /nfs/dbraw/zinc/01/37/06/245013706.db2.gz XRFFJMIAFFUDKO-UHFFFAOYSA-N 1 0 332.385 2.200 20 5 EEBDRO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000080941535 217343578 /nfs/dbraw/zinc/34/35/78/217343578.db2.gz YGUTWDKNDUAWPH-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000081333745 217384891 /nfs/dbraw/zinc/38/48/91/217384891.db2.gz SAUXSIKFLXEMMI-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO [NH3+][C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000137464669 223695951 /nfs/dbraw/zinc/69/59/51/223695951.db2.gz VXCYBOSVAZBSHN-NSHDSACASA-N 1 0 347.293 2.003 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491829120 246170705 /nfs/dbraw/zinc/17/07/05/246170705.db2.gz XTOSREBWMRISNU-YVMONPNESA-N 1 0 347.415 2.177 20 5 EEBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265020582 247140454 /nfs/dbraw/zinc/14/04/54/247140454.db2.gz DXJFFOBREUTVID-JTQLQIEISA-N 1 0 337.767 2.062 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000265094662 247196416 /nfs/dbraw/zinc/19/64/16/247196416.db2.gz VEWZUXVANUAQLX-GFCCVEGCSA-N 1 0 337.424 2.265 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000266445730 248305113 /nfs/dbraw/zinc/30/51/13/248305113.db2.gz WRPDUSWQEQRPQR-QWRGUYRKSA-N 1 0 345.346 2.088 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000190856857 284888982 /nfs/dbraw/zinc/88/89/82/284888982.db2.gz ZLCQSOAAXBGKOH-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261614919 285083298 /nfs/dbraw/zinc/08/32/98/285083298.db2.gz TWTLSIUYXLYFKR-ZJUUUORDSA-N 1 0 326.194 2.403 20 5 EEBDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184224387 533113629 /nfs/dbraw/zinc/11/36/29/533113629.db2.gz HYESVMDNEKXXBQ-GFCCVEGCSA-N 1 0 342.367 2.227 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1SC ZINC000186790814 533132414 /nfs/dbraw/zinc/13/24/14/533132414.db2.gz LAHKVGCDZOJFSF-ONGXEEELSA-N 1 0 339.417 2.053 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181292102 533138505 /nfs/dbraw/zinc/13/85/05/533138505.db2.gz HGGDFFUCEBGRCB-NSHDSACASA-N 1 0 330.344 2.288 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000269212624 255546000 /nfs/dbraw/zinc/54/60/00/255546000.db2.gz OHWYCVUTUIUYIS-CZUORRHYSA-N 1 0 346.431 2.394 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCSC1 ZINC000267379329 256053879 /nfs/dbraw/zinc/05/38/79/256053879.db2.gz YZSAAEAQUZPWHQ-MRXNPFEDSA-N 1 0 348.428 2.243 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270334194 256124497 /nfs/dbraw/zinc/12/44/97/256124497.db2.gz IVYLMOHQBKDQDE-HOTGVXAUSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118826752 221190619 /nfs/dbraw/zinc/19/06/19/221190619.db2.gz HODZBNLMWYJJPE-UHFFFAOYSA-N 1 0 340.811 2.214 20 5 EEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146815 256212784 /nfs/dbraw/zinc/21/27/84/256212784.db2.gz RTWWLQAKDSMVHR-GOEBONIOSA-N 1 0 349.431 2.266 20 5 EEBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559564 292219327 /nfs/dbraw/zinc/21/93/27/292219327.db2.gz FPHGMLAWTUURQA-GJZGRUSLSA-N 1 0 337.420 2.282 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173320744 152159270 /nfs/dbraw/zinc/15/92/70/152159270.db2.gz WVCSDADFMHVNLI-AWEZNQCLSA-N 1 0 334.420 2.022 20 5 EEBDRO COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312061 154046411 /nfs/dbraw/zinc/04/64/11/154046411.db2.gz QLWAULYKNQNAOV-HOCLYGCPSA-N 1 0 348.447 2.066 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000081527690 159154695 /nfs/dbraw/zinc/15/46/95/159154695.db2.gz UOKUTSQYUZNWKG-LBPRGKRZSA-N 1 0 346.387 2.106 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245901466 160256768 /nfs/dbraw/zinc/25/67/68/160256768.db2.gz DRXDLWFXIFABQO-RDJZCZTQSA-N 1 0 346.431 2.263 20 5 EEBDRO C[NH+]1CCN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000343322847 161124505 /nfs/dbraw/zinc/12/45/05/161124505.db2.gz RDRNGRMOPBLANE-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000343934992 161182173 /nfs/dbraw/zinc/18/21/73/161182173.db2.gz WFOOZPZSHQJFAP-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO [NH3+]Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000344094645 161197751 /nfs/dbraw/zinc/19/77/51/161197751.db2.gz FDMMYVLGAAAONE-UHFFFAOYSA-N 1 0 326.356 2.253 20 5 EEBDRO CC[NH+]1C[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344476368 161231552 /nfs/dbraw/zinc/23/15/52/161231552.db2.gz YDQINDOQGADMLC-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCC(F)(F)F ZINC000344844817 161250561 /nfs/dbraw/zinc/25/05/61/161250561.db2.gz CNHKHDGSRPHKBZ-BJMVGYQFSA-N 1 0 331.294 2.266 20 5 EEBDRO Cn1cnc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000344903808 161254753 /nfs/dbraw/zinc/25/47/53/161254753.db2.gz LFRLTLCAEBTRRG-UHFFFAOYSA-N 1 0 344.400 2.179 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344946637 161258304 /nfs/dbraw/zinc/25/83/04/161258304.db2.gz XGOSWMOEWZLBPM-NWDGAFQWSA-N 1 0 339.417 2.037 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C[N@@H+]1C ZINC000352030842 162037271 /nfs/dbraw/zinc/03/72/71/162037271.db2.gz XNNKHQIZHVVNCN-NEPJUHHUSA-N 1 0 330.388 2.170 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181695106 286912599 /nfs/dbraw/zinc/91/25/99/286912599.db2.gz SNGCLXMOECJLJB-HUUCEWRRSA-N 1 0 341.433 2.060 20 5 EEBDRO CSCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352504545 162162963 /nfs/dbraw/zinc/16/29/63/162162963.db2.gz REJJCAGTVAVKPI-SMDDNHRTSA-N 1 0 325.434 2.455 20 5 EEBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352709888 162253712 /nfs/dbraw/zinc/25/37/12/162253712.db2.gz OKITWJFBGFSNDH-ZDUSSCGKSA-N 1 0 341.795 2.327 20 5 EEBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000355342064 163153064 /nfs/dbraw/zinc/15/30/64/163153064.db2.gz PBFVIMAZBLKUIJ-QGZVFWFLSA-N 1 0 341.367 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000355440865 163191441 /nfs/dbraw/zinc/19/14/41/163191441.db2.gz HUZRVGMNHJZAFB-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000359037572 164043233 /nfs/dbraw/zinc/04/32/33/164043233.db2.gz FYPKIHSHDBQBDT-OAHLLOKOSA-N 1 0 334.420 2.306 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000359210121 164083268 /nfs/dbraw/zinc/08/32/68/164083268.db2.gz ITXLZWDAQUUWSF-INIZCTEOSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1c(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000359266431 164098538 /nfs/dbraw/zinc/09/85/38/164098538.db2.gz DXPHOMKETDPUTB-CYBMUJFWSA-N 1 0 332.404 2.353 20 5 EEBDRO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000360613827 164350957 /nfs/dbraw/zinc/35/09/57/164350957.db2.gz VPJWVZVIVCRWAJ-HOCLYGCPSA-N 1 0 336.436 2.445 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368267709 166079493 /nfs/dbraw/zinc/07/94/93/166079493.db2.gz SGROSSBPQQHIHE-CTASWTNQSA-N 1 0 336.436 2.480 20 5 EEBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368700454 166111311 /nfs/dbraw/zinc/11/13/11/166111311.db2.gz TVCKYMAATRVBFO-INIZCTEOSA-N 1 0 343.431 2.425 20 5 EEBDRO CN1CC[NH+](CC2(C)CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000374932022 167070602 /nfs/dbraw/zinc/07/06/02/167070602.db2.gz UXKVZZSZHVWQBF-UHFFFAOYSA-N 1 0 332.448 2.449 20 5 EEBDRO C[C@@H](CSC(C)(C)C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123448332 222279380 /nfs/dbraw/zinc/27/93/80/222279380.db2.gz NROZEUHEKJURGE-NILFDRSVSA-N 1 0 342.461 2.499 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275764090 269140121 /nfs/dbraw/zinc/14/01/21/269140121.db2.gz PBSJYHHDZWKMHB-TZMCWYRMSA-N 1 0 334.376 2.352 20 5 EEBDRO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000277551098 269161725 /nfs/dbraw/zinc/16/17/25/269161725.db2.gz CFIDYBOERULLKJ-TUAOUCFPSA-N 1 0 345.403 2.349 20 5 EEBDRO Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278285387 269221359 /nfs/dbraw/zinc/22/13/59/269221359.db2.gz ATDFDVWVZSVTOK-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000271540372 274140940 /nfs/dbraw/zinc/14/09/40/274140940.db2.gz QUVGSKIMHBIXBD-NOZJJQNGSA-N 1 0 349.309 2.215 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271612466 274145697 /nfs/dbraw/zinc/14/56/97/274145697.db2.gz COCFEDNTOACLMU-UHFFFAOYSA-N 1 0 338.427 2.192 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557566 274175520 /nfs/dbraw/zinc/17/55/20/274175520.db2.gz SNGNJTQQYDCDIN-KRWDZBQOSA-N 1 0 341.415 2.269 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000279205633 274451279 /nfs/dbraw/zinc/45/12/79/274451279.db2.gz LSPRBAMVUFHLCN-UHFFFAOYSA-N 1 0 336.367 2.017 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285012029 274664915 /nfs/dbraw/zinc/66/49/15/274664915.db2.gz GMSRMSDDOBYVCT-NSHDSACASA-N 1 0 337.376 2.101 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285385776 274722127 /nfs/dbraw/zinc/72/21/27/274722127.db2.gz BSSHVFNKYDVWPG-ZIAGYGMSSA-N 1 0 332.404 2.092 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[NH+]2CCSCC2)s1 ZINC000286431691 274871060 /nfs/dbraw/zinc/87/10/60/274871060.db2.gz BQWKBQCPJOCDAY-UHFFFAOYSA-N 1 0 325.419 2.060 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCSC1 ZINC000288446224 275059231 /nfs/dbraw/zinc/05/92/31/275059231.db2.gz PBLRAYMHUFTPFT-CYBMUJFWSA-N 1 0 339.446 2.449 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289458319 275117626 /nfs/dbraw/zinc/11/76/26/275117626.db2.gz LSLLOCAHEXUUNR-NSHDSACASA-N 1 0 345.321 2.485 20 5 EEBDRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289500532 275122127 /nfs/dbraw/zinc/12/21/27/275122127.db2.gz KUIYTCQNUXLIDZ-CQSZACIVSA-N 1 0 341.795 2.327 20 5 EEBDRO O=C(CN1CCC[C@@H](C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289506091 275122758 /nfs/dbraw/zinc/12/27/58/275122758.db2.gz UQXDLUIGLXIQFT-GFCCVEGCSA-N 1 0 347.371 2.384 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290556489 275217868 /nfs/dbraw/zinc/21/78/68/275217868.db2.gz ZKOBYFBDFWPHQU-UHFFFAOYSA-N 1 0 335.385 2.429 20 5 EEBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000291712546 275332737 /nfs/dbraw/zinc/33/27/37/275332737.db2.gz ZYYSGEKZBHXONB-JPQUEUOBSA-N 1 0 331.416 2.403 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000291906877 275352022 /nfs/dbraw/zinc/35/20/22/275352022.db2.gz NIWKDZKXPXZMDW-CYBMUJFWSA-N 1 0 345.403 2.239 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000234389332 277283431 /nfs/dbraw/zinc/28/34/31/277283431.db2.gz JPNHWKCSZMYPBE-SECBINFHSA-N 1 0 329.198 2.188 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235170908 278313515 /nfs/dbraw/zinc/31/35/15/278313515.db2.gz XLAFVPYTJZKNQK-RKDXNWHRSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449586635 279411497 /nfs/dbraw/zinc/41/14/97/279411497.db2.gz GFTCUXBJPPRNEL-IUCAKERBSA-N 1 0 348.325 2.268 20 5 EEBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000340356492 282028222 /nfs/dbraw/zinc/02/82/22/282028222.db2.gz VVXHSGROLIMTAF-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000281640770 292771631 /nfs/dbraw/zinc/77/16/31/292771631.db2.gz VNBWHTZPZAMRFS-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293129167 293133330 /nfs/dbraw/zinc/13/33/30/293133330.db2.gz RNHQZIMXLLWGPR-STQMWFEESA-N 1 0 333.310 2.033 20 5 EEBDRO Cc1nc(NCc2ccccc2OCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295579397 293759296 /nfs/dbraw/zinc/75/92/96/293759296.db2.gz RWGSLBPFMSHFID-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH+]1CCC(O)CC1 ZINC000296100443 293892646 /nfs/dbraw/zinc/89/26/46/293892646.db2.gz UPSSWBISLUWVQX-UHFFFAOYSA-N 1 0 333.310 2.482 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000297113374 294155065 /nfs/dbraw/zinc/15/50/65/294155065.db2.gz YGZPSRPANVPFCE-LLVKDONJSA-N 1 0 339.367 2.299 20 5 EEBDRO CC(C)[C@@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000297310649 294208538 /nfs/dbraw/zinc/20/85/38/294208538.db2.gz BRSQXNYNZCQYSP-QGZVFWFLSA-N 1 0 346.387 2.282 20 5 EEBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298556985 294528318 /nfs/dbraw/zinc/52/83/18/294528318.db2.gz ZMWYYLOGMAMZCY-UHFFFAOYSA-N 1 0 339.392 2.337 20 5 EEBDRO C[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298932227 294619683 /nfs/dbraw/zinc/61/96/83/294619683.db2.gz IERSURXPBPWALP-ZDUSSCGKSA-N 1 0 332.404 2.393 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000299499561 294758245 /nfs/dbraw/zinc/75/82/45/294758245.db2.gz CIHKYBFLXUGKID-CQSZACIVSA-N 1 0 343.387 2.193 20 5 EEBDRO CC(C)C1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000301544410 294867733 /nfs/dbraw/zinc/86/77/33/294867733.db2.gz DJYHEQUJPWUDKP-UHFFFAOYSA-N 1 0 348.451 2.304 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000238025788 295268331 /nfs/dbraw/zinc/26/83/31/295268331.db2.gz AYIXBWJKHRCJLU-MWLCHTKSSA-N 1 0 347.824 2.044 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237553352 297113122 /nfs/dbraw/zinc/11/31/22/297113122.db2.gz JEEFNIFGFNRJHD-QWHCGFSZSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237575442 298994928 /nfs/dbraw/zinc/99/49/28/298994928.db2.gz POIZFOUKPCAHNT-GXSJLCMTSA-N 1 0 347.824 2.139 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000420464676 301859774 /nfs/dbraw/zinc/85/97/74/301859774.db2.gz KJKUGZDYBVASET-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261997882 303389436 /nfs/dbraw/zinc/38/94/36/303389436.db2.gz UTZRJEPNYJBKKH-SNVBAGLBSA-N 1 0 347.824 2.140 20 5 EEBDRO C[NH+](C)CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000332514743 312018322 /nfs/dbraw/zinc/01/83/22/312018322.db2.gz LYFDBPURTBORKL-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413182573 312813651 /nfs/dbraw/zinc/81/36/51/312813651.db2.gz KULQTUKMVTXDMU-CYBMUJFWSA-N 1 0 326.372 2.066 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000417980582 313675005 /nfs/dbraw/zinc/67/50/05/313675005.db2.gz BGSHZDYKWGSNAY-GXFFZTMASA-N 1 0 340.811 2.230 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000417999322 313682511 /nfs/dbraw/zinc/68/25/11/313682511.db2.gz WEJKGVIEYDDUOC-GHMZBOCLSA-N 1 0 340.811 2.183 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420993362 314017566 /nfs/dbraw/zinc/01/75/66/314017566.db2.gz MAYZZZNWERNPLQ-KBPBESRZSA-N 1 0 340.330 2.138 20 5 EEBDRO CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000437787320 315052197 /nfs/dbraw/zinc/05/21/97/315052197.db2.gz QPMAVXAWPNVELN-UHFFFAOYSA-N 1 0 346.387 2.261 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441650739 315190769 /nfs/dbraw/zinc/19/07/69/315190769.db2.gz VJDMMANBPOXFEY-UONOGXRCSA-N 1 0 333.388 2.200 20 5 EEBDRO CC[N@H+](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000445011280 315337129 /nfs/dbraw/zinc/33/71/29/315337129.db2.gz GMYICKJYJOVYFM-UHFFFAOYSA-N 1 0 348.407 2.001 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCC(C)CC1 ZINC000520866966 316883453 /nfs/dbraw/zinc/88/34/53/316883453.db2.gz LKTOAHMDYQCBIX-GFCCVEGCSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000547412746 318286076 /nfs/dbraw/zinc/28/60/76/318286076.db2.gz DBPZEVNINUJQKG-NSHDSACASA-N 1 0 331.376 2.180 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548394548 318385013 /nfs/dbraw/zinc/38/50/13/318385013.db2.gz QVIMLVVNCVPEOW-OAHLLOKOSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000574566924 320036909 /nfs/dbraw/zinc/03/69/09/320036909.db2.gz VAEOORBCOBYBIV-FMKPAKJESA-N 1 0 338.404 2.129 20 5 EEBDRO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000574873214 320065209 /nfs/dbraw/zinc/06/52/09/320065209.db2.gz GNBKJVROQARBPM-UKRRQHHQSA-N 1 0 333.388 2.424 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575432471 320106068 /nfs/dbraw/zinc/10/60/68/320106068.db2.gz DTTZUQNYBPOCNT-INIZCTEOSA-N 1 0 346.383 2.175 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 ZINC000578127047 320295986 /nfs/dbraw/zinc/29/59/86/320295986.db2.gz WHTXJIGXDNWPIG-AWEZNQCLSA-N 1 0 349.387 2.003 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000580066091 323985818 /nfs/dbraw/zinc/98/58/18/323985818.db2.gz LBRZVWVVZOJTQV-YPMHNXCESA-N 1 0 337.401 2.184 20 5 EEBDRO CC(C)Oc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000581296990 324223550 /nfs/dbraw/zinc/22/35/50/324223550.db2.gz KRTWPZXRPRINPV-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000184786987 465026286 /nfs/dbraw/zinc/02/62/86/465026286.db2.gz USNUMJVMGNFBIB-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000339472270 465293070 /nfs/dbraw/zinc/29/30/70/465293070.db2.gz XAHAZSZXDVRLHE-OAHLLOKOSA-N 1 0 349.406 2.467 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590567139 468274305 /nfs/dbraw/zinc/27/43/05/468274305.db2.gz XRCZVXKCEPRYDI-YGRLFVJLSA-N 1 0 325.796 2.342 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590569588 468274931 /nfs/dbraw/zinc/27/49/31/468274931.db2.gz JVOGILFEJPBLFK-AWEZNQCLSA-N 1 0 344.371 2.491 20 5 EEBDRO Cc1cccc(C[NH+]2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)c1 ZINC000590569030 468275385 /nfs/dbraw/zinc/27/53/85/468275385.db2.gz HUWFDYVPBWSKIP-UHFFFAOYSA-N 1 0 327.388 2.203 20 5 EEBDRO COC(=O)N1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000496481126 468275762 /nfs/dbraw/zinc/27/57/62/468275762.db2.gz OXKSZLJUZRNGTI-UHFFFAOYSA-N 1 0 346.387 2.439 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCC1 ZINC000061548262 462588644 /nfs/dbraw/zinc/58/86/44/462588644.db2.gz WYNUIDLNEWPOGJ-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000045779328 462617415 /nfs/dbraw/zinc/61/74/15/462617415.db2.gz BEILGVFTSWMXBA-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000114748862 462677461 /nfs/dbraw/zinc/67/74/61/462677461.db2.gz FBFOAPCPRCHIDH-SKDRFNHKSA-N 1 0 331.294 2.409 20 5 EEBDRO COc1ccc(C[C@](C)([NH3+])CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000089512456 462687823 /nfs/dbraw/zinc/68/78/23/462687823.db2.gz ADUSEDIOYUQARW-INIZCTEOSA-N 1 0 333.392 2.017 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000153865126 462701900 /nfs/dbraw/zinc/70/19/00/462701900.db2.gz OYBPBRPJYALCOM-INIZCTEOSA-N 1 0 346.383 2.475 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000075613741 462741215 /nfs/dbraw/zinc/74/12/15/462741215.db2.gz JSFLUJRCIAKVBY-CABCVRRESA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000090017362 462767404 /nfs/dbraw/zinc/76/74/04/462767404.db2.gz NKLXJDPDCAYJHO-DOMZBBRYSA-N 1 0 343.387 2.093 20 5 EEBDRO O=C(NCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000076250186 462830562 /nfs/dbraw/zinc/83/05/62/462830562.db2.gz JPZCTWWOEFGKPZ-UHFFFAOYSA-N 1 0 336.348 2.109 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000590756121 468328656 /nfs/dbraw/zinc/32/86/56/468328656.db2.gz GSHZJHYHRPONIG-XZJROXQQSA-N 1 0 333.388 2.245 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)cc1OC(F)F ZINC000092620520 462965785 /nfs/dbraw/zinc/96/57/85/462965785.db2.gz HGKGLMVMTGCAIK-UHFFFAOYSA-N 1 0 345.346 2.455 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000016599283 462982825 /nfs/dbraw/zinc/98/28/25/462982825.db2.gz WXBWGJGIZPWAEB-MRXNPFEDSA-N 1 0 343.383 2.393 20 5 EEBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000068115402 463095171 /nfs/dbraw/zinc/09/51/71/463095171.db2.gz DRYLHJAUNOUDEG-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134417 463097438 /nfs/dbraw/zinc/09/74/38/463097438.db2.gz XCGAKAPIRAGFFW-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068341660 463123497 /nfs/dbraw/zinc/12/34/97/463123497.db2.gz UKRIVKVGTNMDRY-INIZCTEOSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000157490521 463137078 /nfs/dbraw/zinc/13/70/78/463137078.db2.gz ACOKNOXGKJRYKL-CQSZACIVSA-N 1 0 334.420 2.372 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000157642138 463153335 /nfs/dbraw/zinc/15/33/35/463153335.db2.gz UHJGVVOCXCTFQH-HNNXBMFYSA-N 1 0 334.420 2.372 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079783550 463248408 /nfs/dbraw/zinc/24/84/08/463248408.db2.gz JYEWIIHFMUHBSP-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000141180440 463350381 /nfs/dbraw/zinc/35/03/81/463350381.db2.gz PPAPTONQWLOQSC-SFHVURJKSA-N 1 0 342.395 2.434 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1OC[C@H]1CC[NH2+]C1 ZINC000097351133 463355100 /nfs/dbraw/zinc/35/51/00/463355100.db2.gz GYHKAHRKCXWZTK-QMMMGPOBSA-N 1 0 348.140 2.188 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160910155 463381273 /nfs/dbraw/zinc/38/12/73/463381273.db2.gz OFLNDNMGCVYVRF-JKSUJKDBSA-N 1 0 333.388 2.092 20 5 EEBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000056890514 463431249 /nfs/dbraw/zinc/43/12/49/463431249.db2.gz YUCRNJFDDMWXMB-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CN1CC[NH+](CC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000057151574 463457678 /nfs/dbraw/zinc/45/76/78/463457678.db2.gz FORSLUBZORQHNE-UHFFFAOYSA-N 1 0 336.411 2.198 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000071899489 463463450 /nfs/dbraw/zinc/46/34/50/463463450.db2.gz HDAYMFKMJIOVJM-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000071946053 463477305 /nfs/dbraw/zinc/47/73/05/463477305.db2.gz RDWGRCVZHHMXJR-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162181769 463490203 /nfs/dbraw/zinc/49/02/03/463490203.db2.gz VCNZPXZCLKLZBT-NSHDSACASA-N 1 0 329.784 2.183 20 5 EEBDRO C[NH+](C)C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000041620655 463498554 /nfs/dbraw/zinc/49/85/54/463498554.db2.gz HUILEJYCTMPKDF-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO CCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000125337587 463532669 /nfs/dbraw/zinc/53/26/69/463532669.db2.gz MQNYJBRNADDEKE-GFCCVEGCSA-N 1 0 329.422 2.041 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000126608437 463651684 /nfs/dbraw/zinc/65/16/84/463651684.db2.gz GEFSNJBILZYEBG-XJKSGUPXSA-N 1 0 344.415 2.266 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000171126138 463792256 /nfs/dbraw/zinc/79/22/56/463792256.db2.gz KEDBMYPOJOGDKZ-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287253874 463848415 /nfs/dbraw/zinc/84/84/15/463848415.db2.gz RPCRBSGTSLIXCZ-PBHICJAKSA-N 1 0 347.415 2.367 20 5 EEBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000269180473 463901676 /nfs/dbraw/zinc/90/16/76/463901676.db2.gz ICHROEXEPPNZQH-KBPBESRZSA-N 1 0 334.420 2.291 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000171804156 463928345 /nfs/dbraw/zinc/92/83/45/463928345.db2.gz JFROLRAOAKDYHA-UHFFFAOYSA-N 1 0 349.435 2.218 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000262271121 463987306 /nfs/dbraw/zinc/98/73/06/463987306.db2.gz SMLLYTBAKGKHSB-SJORKVTESA-N 1 0 339.395 2.338 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000195111766 463992419 /nfs/dbraw/zinc/99/24/19/463992419.db2.gz HKIYTQLVDLQEDN-QGZVFWFLSA-N 1 0 325.368 2.141 20 5 EEBDRO CC(=O)c1ccc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000278884273 464005021 /nfs/dbraw/zinc/00/50/21/464005021.db2.gz WQIXNBWCINJOIV-CYBMUJFWSA-N 1 0 347.415 2.487 20 5 EEBDRO COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000591016556 468392529 /nfs/dbraw/zinc/39/25/29/468392529.db2.gz AOFYHFDCMBKYEN-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804395 464145764 /nfs/dbraw/zinc/14/57/64/464145764.db2.gz ACASPIGHRVNSFW-CZUORRHYSA-N 1 0 332.404 2.092 20 5 EEBDRO Cc1nnc([C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000591053731 468400127 /nfs/dbraw/zinc/40/01/27/468400127.db2.gz HBKIBTYERPJBNA-CYBMUJFWSA-N 1 0 331.376 2.280 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188482018 464292750 /nfs/dbraw/zinc/29/27/50/464292750.db2.gz UQUFYGMFICJTDL-CYBMUJFWSA-N 1 0 334.420 2.275 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173635020 464297422 /nfs/dbraw/zinc/29/74/22/464297422.db2.gz OCWWJGYIBBASDC-UHFFFAOYSA-N 1 0 335.404 2.305 20 5 EEBDRO Cc1cc(OCC(=O)N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281065351 464318965 /nfs/dbraw/zinc/31/89/65/464318965.db2.gz KJYJUHCSAVOKTE-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292842181 464360899 /nfs/dbraw/zinc/36/08/99/464360899.db2.gz BGBXJPCYWWNNHX-RDTXWAMCSA-N 1 0 346.431 2.340 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188947732 464402895 /nfs/dbraw/zinc/40/28/95/464402895.db2.gz ZXWHFDRBNBTFGP-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000285192335 464482641 /nfs/dbraw/zinc/48/26/41/464482641.db2.gz DWGJRRLPFRSGHW-NSHDSACASA-N 1 0 343.374 2.150 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000281507899 464483119 /nfs/dbraw/zinc/48/31/19/464483119.db2.gz IJHACHSIFNPLNE-KGLIPLIRSA-N 1 0 347.415 2.414 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000272190813 464511910 /nfs/dbraw/zinc/51/19/10/464511910.db2.gz MIXYRZCDGHENOO-ZBEGNZNMSA-N 1 0 330.388 2.010 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208097 464517983 /nfs/dbraw/zinc/51/79/83/464517983.db2.gz PTRNUODGJDRUNL-SJKOYZFVSA-N 1 0 344.415 2.017 20 5 EEBDRO CC[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181995988 464547624 /nfs/dbraw/zinc/54/76/24/464547624.db2.gz RRZYBZVFFKUWOA-HNNXBMFYSA-N 1 0 331.372 2.252 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281716869 464558316 /nfs/dbraw/zinc/55/83/16/464558316.db2.gz QKTPGGGUCJPJBD-HIFRSBDPSA-N 1 0 335.404 2.081 20 5 EEBDRO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1COC[C@H]1O ZINC000285421971 464558704 /nfs/dbraw/zinc/55/87/04/464558704.db2.gz DSKILCRYCWKEBX-HZPDHXFCSA-N 1 0 325.364 2.138 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981295 464579138 /nfs/dbraw/zinc/57/91/38/464579138.db2.gz LRJWMGFCEDWCFY-RDJZCZTQSA-N 1 0 338.404 2.129 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000190012320 464586523 /nfs/dbraw/zinc/58/65/23/464586523.db2.gz NODKHOAZCGINQO-WBVHZDCISA-N 1 0 338.404 2.259 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000176214317 464721183 /nfs/dbraw/zinc/72/11/83/464721183.db2.gz YKQADWLYBFGVEO-UHFFFAOYSA-N 1 0 335.452 2.379 20 5 EEBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000295452129 464840394 /nfs/dbraw/zinc/84/03/94/464840394.db2.gz WPQOFNPISGQDDI-LLVKDONJSA-N 1 0 343.387 2.027 20 5 EEBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295538796 464874601 /nfs/dbraw/zinc/87/46/01/464874601.db2.gz KJQBQHFNJPNVLI-CQSZACIVSA-N 1 0 347.415 2.306 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000177097243 464929301 /nfs/dbraw/zinc/92/93/01/464929301.db2.gz VQXBPWMIRCKPLX-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000177101374 464930882 /nfs/dbraw/zinc/93/08/82/464930882.db2.gz LTLXTKSRFBOPPG-UHFFFAOYSA-N 1 0 341.433 2.229 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1C1CC1 ZINC000342935571 465398680 /nfs/dbraw/zinc/39/86/80/465398680.db2.gz SMINHBIDGNBJON-QWRGUYRKSA-N 1 0 328.372 2.431 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348201573 465487449 /nfs/dbraw/zinc/48/74/49/465487449.db2.gz QAMDVQBHBMVTSC-INIZCTEOSA-N 1 0 333.388 2.059 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352349893 465517168 /nfs/dbraw/zinc/51/71/68/465517168.db2.gz HWDNDOJELDOCOJ-OAHLLOKOSA-N 1 0 344.415 2.912 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000366440788 465728789 /nfs/dbraw/zinc/72/87/89/465728789.db2.gz WVRSEXCLTAQRNX-XOKHGSTOSA-N 1 0 347.415 2.227 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000371353315 465737876 /nfs/dbraw/zinc/73/78/76/465737876.db2.gz IICUPTKHAKGWFC-IRXDYDNUSA-N 1 0 325.368 2.422 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000330678298 465758455 /nfs/dbraw/zinc/75/84/55/465758455.db2.gz JXGFTWAJLNHHLU-ZIAGYGMSSA-N 1 0 335.404 2.223 20 5 EEBDRO CCCCOC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000362471923 465764714 /nfs/dbraw/zinc/76/47/14/465764714.db2.gz YSJRLFYUCIANKP-UHFFFAOYSA-N 1 0 335.404 2.475 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591352753 468456185 /nfs/dbraw/zinc/45/61/85/468456185.db2.gz IMOKDYKQEPYBCR-DOTOQJQBSA-N 1 0 346.431 2.311 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000348998092 465910802 /nfs/dbraw/zinc/91/08/02/465910802.db2.gz KDQOYBVLOJCYCT-AWEZNQCLSA-N 1 0 340.383 2.377 20 5 EEBDRO Cc1c(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331064179 465918596 /nfs/dbraw/zinc/91/85/96/465918596.db2.gz WOQBDEUZQSLSNP-DZGCQCFKSA-N 1 0 326.418 2.349 20 5 EEBDRO Cc1nc(Sc2nnc(C3CC[NH2+]CC3)n2C)ccc1[N+](=O)[O-] ZINC000301672238 466006752 /nfs/dbraw/zinc/00/67/52/466006752.db2.gz QUUMCULPJMWBTA-UHFFFAOYSA-N 1 0 334.405 2.045 20 5 EEBDRO COc1ccncc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402044 466067028 /nfs/dbraw/zinc/06/70/28/466067028.db2.gz BDYDPIQVXVIBOC-UONOGXRCSA-N 1 0 331.376 2.468 20 5 EEBDRO CCOC(=O)C1CCC([N@H+](CC)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000338373536 466069683 /nfs/dbraw/zinc/06/96/83/466069683.db2.gz ZCKCOWLBJVDCPU-UHFFFAOYSA-N 1 0 338.408 2.235 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000353781574 466143547 /nfs/dbraw/zinc/14/35/47/466143547.db2.gz SHVZGUPZPUWZCV-UHFFFAOYSA-N 1 0 340.401 2.132 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000591509248 468478421 /nfs/dbraw/zinc/47/84/21/468478421.db2.gz XUIJIUXZQBGFAX-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO Cn1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000340714570 466282801 /nfs/dbraw/zinc/28/28/01/466282801.db2.gz UROZTFJVQBAMMQ-HNNXBMFYSA-N 1 0 342.399 2.328 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363447191 466409260 /nfs/dbraw/zinc/40/92/60/466409260.db2.gz ADELMCSWEWCUNB-GJZGRUSLSA-N 1 0 335.452 2.415 20 5 EEBDRO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305709900 466431737 /nfs/dbraw/zinc/43/17/37/466431737.db2.gz XFJGMYJLHHEVEM-GFCCVEGCSA-N 1 0 342.758 2.077 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362136760 466581468 /nfs/dbraw/zinc/58/14/68/466581468.db2.gz MSOSEJZDYDKQMA-SJORKVTESA-N 1 0 347.415 2.105 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000591685116 468502465 /nfs/dbraw/zinc/50/24/65/468502465.db2.gz QZTHFODWZNRCMT-OCCSQVGLSA-N 1 0 343.387 2.028 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422826757 466683732 /nfs/dbraw/zinc/68/37/32/466683732.db2.gz MBULVDPDEZTMQI-LLVKDONJSA-N 1 0 341.386 2.406 20 5 EEBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391515 466736605 /nfs/dbraw/zinc/73/66/05/466736605.db2.gz WXLASEPIQAYCGG-XPKDYRNWSA-N 1 0 329.404 2.148 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000374796346 466746662 /nfs/dbraw/zinc/74/66/62/466746662.db2.gz UXNKYPNARQWONI-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411497787 466836532 /nfs/dbraw/zinc/83/65/32/466836532.db2.gz AFSMQIVRKSJMPW-GFCCVEGCSA-N 1 0 337.376 2.197 20 5 EEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829364 466864501 /nfs/dbraw/zinc/86/45/01/466864501.db2.gz RVWAGZRTZJVTQN-OAHLLOKOSA-N 1 0 349.435 2.253 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712516 466915671 /nfs/dbraw/zinc/91/56/71/466915671.db2.gz FXUODNGGZFQSLS-ZIAGYGMSSA-N 1 0 349.435 2.274 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000417715599 466916160 /nfs/dbraw/zinc/91/61/60/466916160.db2.gz KHTWXLBWEAQVGY-HNNXBMFYSA-N 1 0 334.420 2.216 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000423975197 466934069 /nfs/dbraw/zinc/93/40/69/466934069.db2.gz LGXLJBHXMPXISY-MRXNPFEDSA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000411979131 466955905 /nfs/dbraw/zinc/95/59/05/466955905.db2.gz CKQLMHZFTGMUCU-CQSZACIVSA-N 1 0 329.404 2.035 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424059251 466967586 /nfs/dbraw/zinc/96/75/86/466967586.db2.gz VMMSPXWBASSMPW-BZPMIXESSA-N 1 0 335.404 2.439 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424105364 466980497 /nfs/dbraw/zinc/98/04/97/466980497.db2.gz JJOAXHKXOWCJAZ-UHFFFAOYSA-N 1 0 336.392 2.169 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412119189 467018772 /nfs/dbraw/zinc/01/87/72/467018772.db2.gz GATBSYPICICPNQ-BBWFWOEESA-N 1 0 331.416 2.497 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186955 467034961 /nfs/dbraw/zinc/03/49/61/467034961.db2.gz TWMZBRMYOGDVBN-UQCMEYCASA-N 1 0 329.400 2.297 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418380353 467102575 /nfs/dbraw/zinc/10/25/75/467102575.db2.gz HBJWALDOERNOFL-ZFWWWQNUSA-N 1 0 334.420 2.339 20 5 EEBDRO CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])c3ncccc23)[N@H+](C)C1 ZINC000413282966 467205729 /nfs/dbraw/zinc/20/57/29/467205729.db2.gz RRPDUEZRPZCZIJ-STQMWFEESA-N 1 0 330.388 2.298 20 5 EEBDRO Cc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000378140179 467209240 /nfs/dbraw/zinc/20/92/40/467209240.db2.gz RYLLGBJNIHOXGB-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000413434358 467241664 /nfs/dbraw/zinc/24/16/64/467241664.db2.gz FXGRHVODUXYUDK-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000451860814 467275304 /nfs/dbraw/zinc/27/53/04/467275304.db2.gz XCNHTJIAPKKXEJ-GJZGRUSLSA-N 1 0 333.388 2.083 20 5 EEBDRO CN(CCN1CCOC(C)(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000432956541 467279321 /nfs/dbraw/zinc/27/93/21/467279321.db2.gz UDWGPIWIAPTJST-UHFFFAOYSA-N 1 0 336.392 2.169 20 5 EEBDRO CC[C@@H]1CN(CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000451929217 467286069 /nfs/dbraw/zinc/28/60/69/467286069.db2.gz GWEUUHUXWXIHSS-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452116522 467329666 /nfs/dbraw/zinc/32/96/66/467329666.db2.gz NFPZANPUNAJSAB-OAHLLOKOSA-N 1 0 334.420 2.256 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429380320 467331869 /nfs/dbraw/zinc/33/18/69/467331869.db2.gz FLPBZMMMNMNBJB-BBRMVZONSA-N 1 0 336.388 2.493 20 5 EEBDRO Cc1c(Br)c(NC[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420290589 467339633 /nfs/dbraw/zinc/33/96/33/467339633.db2.gz UQFAREZWNHMCDA-VHSXEESVSA-N 1 0 343.225 2.990 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378640895 467363881 /nfs/dbraw/zinc/36/38/81/467363881.db2.gz BUMDAWREYVULJL-INIZCTEOSA-N 1 0 347.346 2.049 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420336364 467364829 /nfs/dbraw/zinc/36/48/29/467364829.db2.gz MDIGEKOMAMKTMW-IUODEOHRSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420371467 467382737 /nfs/dbraw/zinc/38/27/37/467382737.db2.gz PMHBBKZOQNLBCP-ZETOZRRWSA-N 1 0 331.376 2.121 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430553976 467438563 /nfs/dbraw/zinc/43/85/63/467438563.db2.gz LXBUKLFOWMKZJM-LRDDRELGSA-N 1 0 334.420 2.291 20 5 EEBDRO CCC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116537 467455843 /nfs/dbraw/zinc/45/58/43/467455843.db2.gz IRZIZKBSONOUAL-DZGCQCFKSA-N 1 0 341.433 2.060 20 5 EEBDRO CC(C)c1nnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000453289759 467477951 /nfs/dbraw/zinc/47/79/51/467477951.db2.gz MOIDYBFWYYYXGH-NWDGAFQWSA-N 1 0 333.396 2.306 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405353841 467480892 /nfs/dbraw/zinc/48/08/92/467480892.db2.gz PWPVYJRWFQVKOL-YPMHNXCESA-N 1 0 341.433 2.041 20 5 EEBDRO CNc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000456004842 467703765 /nfs/dbraw/zinc/70/37/65/467703765.db2.gz XQQLTBNJFJKBII-CYBMUJFWSA-N 1 0 349.435 2.272 20 5 EEBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450319766 467826623 /nfs/dbraw/zinc/82/66/23/467826623.db2.gz RYFRAXRKBZEXRF-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000450804976 467911115 /nfs/dbraw/zinc/91/11/15/467911115.db2.gz BVDLOBWTGKLVDA-AWEZNQCLSA-N 1 0 327.388 2.343 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000493511737 467928592 /nfs/dbraw/zinc/92/85/92/467928592.db2.gz ALVGHCHBBRHYIC-MORRKMRCSA-N 1 0 335.257 2.143 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000514678092 467948297 /nfs/dbraw/zinc/94/82/97/467948297.db2.gz OBTPPVJNPMOOKA-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO CC(C)[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000487966294 468063514 /nfs/dbraw/zinc/06/35/14/468063514.db2.gz WDHRBBOZEBTGKX-HNNXBMFYSA-N 1 0 345.403 2.417 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000565483214 468132221 /nfs/dbraw/zinc/13/22/21/468132221.db2.gz TVEXXQBXOWUTIX-ZIAGYGMSSA-N 1 0 337.423 2.397 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000567710787 468192314 /nfs/dbraw/zinc/19/23/14/468192314.db2.gz SESSSRYIWPOIQF-SOLBZPMBSA-N 1 0 344.415 2.153 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000534293678 468245457 /nfs/dbraw/zinc/24/54/57/468245457.db2.gz YKPOLIZRCCPREL-OLZOCXBDSA-N 1 0 335.404 2.087 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000490888529 468261553 /nfs/dbraw/zinc/26/15/53/468261553.db2.gz TWWMOFQHTXUPIO-AFCDSYGPSA-N 1 0 347.415 2.081 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000600316284 468530934 /nfs/dbraw/zinc/53/09/34/468530934.db2.gz YXFOAINGGGOKAU-AWEZNQCLSA-N 1 0 344.415 2.398 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000569724335 468534601 /nfs/dbraw/zinc/53/46/01/468534601.db2.gz VBKSDHZFVVWRNY-VXGBXAGGSA-N 1 0 339.417 2.015 20 5 EEBDRO CCOC(=O)Cc1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000591940343 468578166 /nfs/dbraw/zinc/57/81/66/468578166.db2.gz XDCKKYFUQQTQJE-UHFFFAOYSA-N 1 0 333.388 2.374 20 5 EEBDRO Cc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000582959891 468622348 /nfs/dbraw/zinc/62/23/48/468622348.db2.gz QSASMSGFUSMUCA-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599325 468631847 /nfs/dbraw/zinc/63/18/47/468631847.db2.gz JELZCMQHSRAJCT-CHWSQXEVSA-N 1 0 334.376 2.205 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592245307 468663800 /nfs/dbraw/zinc/66/38/00/468663800.db2.gz FYXIQNXIAYAKEY-OAHLLOKOSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594802254 468691560 /nfs/dbraw/zinc/69/15/60/468691560.db2.gz WOCMVPMWKXGIPI-LBPRGKRZSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592489562 468711016 /nfs/dbraw/zinc/71/10/16/468711016.db2.gz NPMXBTRLTQQRIG-AAEUAGOBSA-N 1 0 343.387 2.118 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000595007747 468742422 /nfs/dbraw/zinc/74/24/22/468742422.db2.gz JNDOURIGYFLRCQ-ZIAGYGMSSA-N 1 0 337.420 2.222 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000601113503 468745472 /nfs/dbraw/zinc/74/54/72/468745472.db2.gz HKFXVKFAAOZCQQ-MSOLQXFVSA-N 1 0 342.399 2.178 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595102343 468759055 /nfs/dbraw/zinc/75/90/55/468759055.db2.gz KDHSVXPWHNCSCM-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000601177607 468772267 /nfs/dbraw/zinc/77/22/67/468772267.db2.gz YBRXFOZIZSLKGF-MRXNPFEDSA-N 1 0 332.404 2.010 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571402677 468783453 /nfs/dbraw/zinc/78/34/53/468783453.db2.gz WVHASQXKNSOREN-YOEHRIQHSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223200 468788074 /nfs/dbraw/zinc/78/80/74/468788074.db2.gz ROXUPMJQBCADFN-HNNXBMFYSA-N 1 0 346.431 2.245 20 5 EEBDRO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593059983 468856798 /nfs/dbraw/zinc/85/67/98/468856798.db2.gz UNWSLRQEMLKULA-UONOGXRCSA-N 1 0 338.404 2.224 20 5 EEBDRO C[N@H+](CCc1nnn(C(C)(C)C)n1)CCc1cccc([N+](=O)[O-])c1 ZINC000595477132 468869280 /nfs/dbraw/zinc/86/92/80/468869280.db2.gz QQPHOLBHZHUUCO-UHFFFAOYSA-N 1 0 332.408 2.053 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595509982 468881770 /nfs/dbraw/zinc/88/17/70/468881770.db2.gz IISMGBUJCZBFFG-UHFFFAOYSA-N 1 0 325.384 2.059 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593187832 468898668 /nfs/dbraw/zinc/89/86/68/468898668.db2.gz UNIJBQJBYDYJGG-MJBXVCDLSA-N 1 0 334.420 2.336 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562017 468914618 /nfs/dbraw/zinc/91/46/18/468914618.db2.gz RQTQYGWNYSOWJX-HNNXBMFYSA-N 1 0 331.416 2.376 20 5 EEBDRO COC(=O)c1ccnc(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000598594190 468926124 /nfs/dbraw/zinc/92/61/24/468926124.db2.gz ZIKMKTZYVUOWJH-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000601705291 468975450 /nfs/dbraw/zinc/97/54/50/468975450.db2.gz LCRVDLPQUDWMAD-DZGCQCFKSA-N 1 0 342.399 2.421 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586780970 469065009 /nfs/dbraw/zinc/06/50/09/469065009.db2.gz GFCGXICPIUXBBN-UHFFFAOYSA-N 1 0 338.360 2.045 20 5 EEBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ncc1Br ZINC000598968300 469071333 /nfs/dbraw/zinc/07/13/33/469071333.db2.gz XGCDYOLJOLMDDM-UHFFFAOYSA-N 1 0 340.181 2.047 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587626229 469091668 /nfs/dbraw/zinc/09/16/68/469091668.db2.gz GPHIYFWPEKNRDJ-NSHDSACASA-N 1 0 331.376 2.210 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000595940039 469092866 /nfs/dbraw/zinc/09/28/66/469092866.db2.gz AGOMAPDWZICWRK-UHFFFAOYSA-N 1 0 342.193 2.359 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC(C)(C)[NH3+] ZINC000595959186 469097326 /nfs/dbraw/zinc/09/73/26/469097326.db2.gz CDWNZYHSPLBCID-SECBINFHSA-N 1 0 329.784 2.211 20 5 EEBDRO Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000573438924 469132010 /nfs/dbraw/zinc/13/20/10/469132010.db2.gz KKRZSQWSNYWZBV-UHFFFAOYSA-N 1 0 329.360 2.120 20 5 EEBDRO O=[N+]([O-])c1cc(N2CC[NH+](CCCO)CC2)ccc1C(F)(F)F ZINC000596097018 469153052 /nfs/dbraw/zinc/15/30/52/469153052.db2.gz CESLHNPQISEXAH-UHFFFAOYSA-N 1 0 333.310 2.118 20 5 EEBDRO Nc1ccc(NCC2CC[NH+](Cc3cccs3)CC2)nc1[N+](=O)[O-] ZINC000596096521 469153484 /nfs/dbraw/zinc/15/34/84/469153484.db2.gz IMZBWRNBLGLHNT-UHFFFAOYSA-N 1 0 347.444 2.958 20 5 EEBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000573547304 469156599 /nfs/dbraw/zinc/15/65/99/469156599.db2.gz VBNKUDBHJMFJIJ-MRXNPFEDSA-N 1 0 347.415 2.210 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611088337 469158431 /nfs/dbraw/zinc/15/84/31/469158431.db2.gz QJCGPIBJNSRWJC-NSHDSACASA-N 1 0 344.371 2.015 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000611092413 469159936 /nfs/dbraw/zinc/15/99/36/469159936.db2.gz SRKUMFAIISWVAU-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602072401 469174209 /nfs/dbraw/zinc/17/42/09/469174209.db2.gz MMBYNLFLJCHXMF-ZDUSSCGKSA-N 1 0 335.404 2.130 20 5 EEBDRO COc1ccc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602079798 469177487 /nfs/dbraw/zinc/17/74/87/469177487.db2.gz MBFTXSGJSDDFHX-CQSZACIVSA-N 1 0 333.388 2.237 20 5 EEBDRO O=C1[C@@H]([NH+]2CCC3(CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611177718 469183594 /nfs/dbraw/zinc/18/35/94/469183594.db2.gz KDGBFCNIFZTHKV-INIZCTEOSA-N 1 0 345.399 2.203 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197910 469211907 /nfs/dbraw/zinc/21/19/07/469211907.db2.gz PVWOTICNOLWZKQ-UHFFFAOYSA-N 1 0 346.387 2.393 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000611404325 469242487 /nfs/dbraw/zinc/24/24/87/469242487.db2.gz TVGOKVNYTXGUDJ-QWHCGFSZSA-N 1 0 326.418 2.379 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000615724212 469305586 /nfs/dbraw/zinc/30/55/86/469305586.db2.gz SPTGUNSKLXMQEB-WQLSENKSSA-N 1 0 326.418 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3nccs3)CC2)cn1 ZINC000602533888 469352720 /nfs/dbraw/zinc/35/27/20/469352720.db2.gz QLSBTIGEYIGMJW-UHFFFAOYSA-N 1 0 333.417 2.247 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602542146 469354673 /nfs/dbraw/zinc/35/46/73/469354673.db2.gz ULXDQPMCKJQBCE-WCQYABFASA-N 1 0 345.321 2.123 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595969 469377479 /nfs/dbraw/zinc/37/74/79/469377479.db2.gz KPUCTDDMOGVADT-SCZZXKLOSA-N 1 0 329.809 2.288 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@]2(CC)CCOC2)c([N+](=O)[O-])c1 ZINC000616866054 469526599 /nfs/dbraw/zinc/52/65/99/469526599.db2.gz JWCIKYDALRMZCK-MRXNPFEDSA-N 1 0 337.376 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000619527167 469632168 /nfs/dbraw/zinc/63/21/68/469632168.db2.gz PBRWYROVLNFSRJ-STQMWFEESA-N 1 0 328.347 2.452 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386306 469924447 /nfs/dbraw/zinc/92/44/47/469924447.db2.gz ONQSWEDLFHBBLL-KGLIPLIRSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@@H](CN1CCOCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180696798 533856480 /nfs/dbraw/zinc/85/64/80/533856480.db2.gz ZWTSWQPCLJDIMI-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO COc1cc(F)c([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000183436146 533991946 /nfs/dbraw/zinc/99/19/46/533991946.db2.gz JFGVXOXGCMGOCY-JTQLQIEISA-N 1 0 338.339 2.298 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153973399 534067275 /nfs/dbraw/zinc/06/72/75/534067275.db2.gz QQFBPMLMOREERV-QGZVFWFLSA-N 1 0 346.383 2.131 20 5 EEBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179615065 527685827 /nfs/dbraw/zinc/68/58/27/527685827.db2.gz RNQSRYGRCWLNFU-AWEZNQCLSA-N 1 0 337.420 2.159 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000174312038 528258444 /nfs/dbraw/zinc/25/84/44/528258444.db2.gz DTBWLKGEQRGHNS-CQSZACIVSA-N 1 0 337.420 2.398 20 5 EEBDRO CC(C)[NH+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000129726005 528906945 /nfs/dbraw/zinc/90/69/45/528906945.db2.gz AFYDZCHQPDJAPN-UHFFFAOYSA-N 1 0 343.449 2.133 20 5 EEBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1OC ZINC000191359706 529108757 /nfs/dbraw/zinc/10/87/57/529108757.db2.gz DBJLIZIGXRYEID-HUUCEWRRSA-N 1 0 335.404 2.377 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181500935 529344041 /nfs/dbraw/zinc/34/40/41/529344041.db2.gz SLOGLBCIMXPKPF-SECBINFHSA-N 1 0 335.451 2.202 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449752621 534983585 /nfs/dbraw/zinc/98/35/85/534983585.db2.gz NBLKNRZFLNLHKY-ZDUSSCGKSA-N 1 0 341.795 2.274 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000111353277 535491557 /nfs/dbraw/zinc/49/15/57/535491557.db2.gz DWEFUDWCRNSJPT-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000265128048 535705368 /nfs/dbraw/zinc/70/53/68/535705368.db2.gz HROOBBDUVZRNEM-UHFFFAOYSA-N 1 0 339.392 2.025 20 5 EEBDRO CNc1nc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000456005011 536422172 /nfs/dbraw/zinc/42/21/72/536422172.db2.gz KSSGHQUDZHNLEH-UHFFFAOYSA-N 1 0 337.424 2.222 20 5 EEBDRO CC(C)C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726584674 576277610 /nfs/dbraw/zinc/27/76/10/576277610.db2.gz JEUZJZXDCGUEKS-UHFFFAOYSA-N 1 0 346.387 2.441 20 5 EEBDRO CC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727833395 576453060 /nfs/dbraw/zinc/45/30/60/576453060.db2.gz SANWBEDLXQLWQX-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000729659721 576671186 /nfs/dbraw/zinc/67/11/86/576671186.db2.gz CKVUIYZCDILJFB-UHFFFAOYSA-N 1 0 341.383 2.164 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730807378 577058600 /nfs/dbraw/zinc/05/86/00/577058600.db2.gz VIRLQRGKVMTNMC-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000731809288 577125797 /nfs/dbraw/zinc/12/57/97/577125797.db2.gz SSSMYIYRIQUUJI-CHWSQXEVSA-N 1 0 348.359 2.168 20 5 EEBDRO C[N@H+]1CC=C(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000776168914 577453723 /nfs/dbraw/zinc/45/37/23/577453723.db2.gz UERLCXZIUFNXJL-UHFFFAOYSA-N 1 0 330.432 2.415 20 5 EEBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764923435 577490981 /nfs/dbraw/zinc/49/09/81/577490981.db2.gz ATXFYSYKTZRUBX-AWEZNQCLSA-N 1 0 345.403 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000766579568 577521825 /nfs/dbraw/zinc/52/18/25/577521825.db2.gz AGFHHTMUVSPSFY-HNNXBMFYSA-N 1 0 341.415 2.434 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000757786350 577864083 /nfs/dbraw/zinc/86/40/83/577864083.db2.gz DGNZVMVBZGXMGD-HZMBPMFUSA-N 1 0 334.376 2.208 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000750097897 577987058 /nfs/dbraw/zinc/98/70/58/577987058.db2.gz ZFECHLKTQGUJAA-GOSISDBHSA-N 1 0 328.368 2.435 20 5 EEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CCCC1 ZINC000736799680 578224370 /nfs/dbraw/zinc/22/43/70/578224370.db2.gz CXQIEAQFXZKFNY-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO CCC[NH+](CCC)CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821099183 606706477 /nfs/dbraw/zinc/70/64/77/606706477.db2.gz AUSCEHTWINYMIL-UHFFFAOYSA-N 1 0 348.411 2.094 20 5 EEBDRO Cn1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C1CC1 ZINC000892081199 677980976 /nfs/dbraw/zinc/98/09/76/677980976.db2.gz VWXALVDSIUABII-CQSZACIVSA-N 1 0 342.403 2.287 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)ccn1C ZINC001022673530 678191968 /nfs/dbraw/zinc/19/19/68/678191968.db2.gz RPVUJJIYLIPYTA-BETUJISGSA-N 1 0 348.428 2.354 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000162120443 679410174 /nfs/dbraw/zinc/41/01/74/679410174.db2.gz VNFFGEVDVRZMMT-BETUJISGSA-N 1 0 336.392 2.168 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892536510 681626718 /nfs/dbraw/zinc/62/67/18/681626718.db2.gz FVNYWSIPJLLAHO-HZPDHXFCSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC000983301399 682215186 /nfs/dbraw/zinc/21/51/86/682215186.db2.gz LSVYJCGEDBWYBX-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3COCO3)o2)c([N+](=O)[O-])c1 ZINC000894872366 683263045 /nfs/dbraw/zinc/26/30/45/683263045.db2.gz IMUVHXZYWJFBQV-CYBMUJFWSA-N 1 0 334.328 2.326 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccns1 ZINC000983796163 683506589 /nfs/dbraw/zinc/50/65/89/683506589.db2.gz NIFOMSIPPSMZSC-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO CCC[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057090 683576779 /nfs/dbraw/zinc/57/67/79/683576779.db2.gz DJWNOUVYAAPUAE-GFCCVEGCSA-N 1 0 330.388 2.025 20 5 EEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262151561 684096791 /nfs/dbraw/zinc/09/67/91/684096791.db2.gz ZWVQFSGLAXEBBO-CQSZACIVSA-N 1 0 335.795 2.128 20 5 EEBDRO CC[C@@H]1COCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128657747 694005504 /nfs/dbraw/zinc/00/55/04/694005504.db2.gz MILAYFQRYUAWKP-LLVKDONJSA-N 1 0 325.340 2.173 20 5 EEBDRO CC1(C)CN([C@@H](C[NH2+]CC[N+](=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC000905098824 694528882 /nfs/dbraw/zinc/52/88/82/694528882.db2.gz WOGPJIRFBFKRGR-HNNXBMFYSA-N 1 0 341.839 2.358 20 5 EEBDRO O=[N+]([O-])CC[NH2+]CCSCCOc1cccc(Br)c1 ZINC000905102150 694529927 /nfs/dbraw/zinc/52/99/27/694529927.db2.gz AKTQUDYZKGBAFT-UHFFFAOYSA-N 1 0 349.250 2.427 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000989937827 692499643 /nfs/dbraw/zinc/49/96/43/692499643.db2.gz XLQXOMNVHSKLRC-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(CCC(F)(F)F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125227818 1193312372 /nfs/dbraw/zinc/31/23/72/1193312372.db2.gz ZMZCACNNRXEARG-UHFFFAOYSA-N 1 0 325.312 2.205 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000905519760 1189766513 /nfs/dbraw/zinc/76/65/13/1189766513.db2.gz FUGJLLWNRQTQSY-NSHDSACASA-N 1 0 349.412 2.070 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2ccccn2c1 ZINC001134700534 1199758805 /nfs/dbraw/zinc/75/88/05/1199758805.db2.gz CKPBHEOUDLHMAE-UHFFFAOYSA-N 1 0 338.367 2.367 20 5 EEBDRO COc1cc(OC)cc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877033528 1199850061 /nfs/dbraw/zinc/85/00/61/1199850061.db2.gz DILDPSXIWPZSPY-SFHVURJKSA-N 1 0 346.383 2.478 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000877165803 1199873279 /nfs/dbraw/zinc/87/32/79/1199873279.db2.gz QLYSYEPOCOMRSY-ZFWWWQNUSA-N 1 0 344.415 2.017 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878040782 1200228363 /nfs/dbraw/zinc/22/83/63/1200228363.db2.gz OFFPWWPRJKYFHF-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[N@H+](C)C1 ZINC000878124970 1200271091 /nfs/dbraw/zinc/27/10/91/1200271091.db2.gz LLZDHFAWWTVCIS-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000866254923 1201477066 /nfs/dbraw/zinc/47/70/66/1201477066.db2.gz CRNRIGPLBQWWCJ-IINYFYTJSA-N 1 0 333.367 2.169 20 5 EEBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866324341 1201492490 /nfs/dbraw/zinc/49/24/90/1201492490.db2.gz RKTHJWWLCKBNAR-NSHDSACASA-N 1 0 325.384 2.417 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000881469200 1201704922 /nfs/dbraw/zinc/70/49/22/1201704922.db2.gz KVRWMCUCMIQQLT-MRXNPFEDSA-N 1 0 347.415 2.276 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000882726442 1201929042 /nfs/dbraw/zinc/92/90/42/1201929042.db2.gz UQPHPTGMZVWGSH-LBPRGKRZSA-N 1 0 340.811 2.381 20 5 EEBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000800138223 1202212049 /nfs/dbraw/zinc/21/20/49/1202212049.db2.gz DPZHJJHPIBLRHA-UHFFFAOYSA-N 1 0 325.321 2.392 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000884353667 1202299836 /nfs/dbraw/zinc/29/98/36/1202299836.db2.gz DDZSXSWPWVYEQN-MNOVXSKESA-N 1 0 342.193 2.213 20 5 EEBDRO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000886193720 1202480130 /nfs/dbraw/zinc/48/01/30/1202480130.db2.gz BAYOFYVGVBISBV-KRWDZBQOSA-N 1 0 326.400 2.349 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1 ZINC000886229699 1202482732 /nfs/dbraw/zinc/48/27/32/1202482732.db2.gz UTGRXRDZXCFJBR-WCQYABFASA-N 1 0 346.330 2.216 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C[C@H]3CCCO3)CC2)cc1 ZINC000886668777 1202541769 /nfs/dbraw/zinc/54/17/69/1202541769.db2.gz ZHQPMYZWCNBGQZ-CRAIPNDOSA-N 1 0 349.431 2.083 20 5 EEBDRO CN(CCCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC001095657549 1205905033 /nfs/dbraw/zinc/90/50/33/1205905033.db2.gz BEUUKRXKZABQTJ-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001095658221 1205905324 /nfs/dbraw/zinc/90/53/24/1205905324.db2.gz PUXSLESJPXKGAQ-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CSCC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000932587436 1207631945 /nfs/dbraw/zinc/63/19/45/1207631945.db2.gz KMWBGTIXAVMMTN-CQSZACIVSA-N 1 0 340.445 2.410 20 5 EEBDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934237574 1207928790 /nfs/dbraw/zinc/92/87/90/1207928790.db2.gz ZGCJACGQRHTATA-CYBMUJFWSA-N 1 0 340.383 2.100 20 5 EEBDRO Cc1nn(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000158482703 1208401238 /nfs/dbraw/zinc/40/12/38/1208401238.db2.gz QYUMVAJRBHIVON-HNNXBMFYSA-N 1 0 329.404 2.359 20 5 EEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090462549 1212730226 /nfs/dbraw/zinc/73/02/26/1212730226.db2.gz CVMHFHNXRIPONB-FZMZJTMJSA-N 1 0 341.433 2.387 20 5 EEBDRO CC1(C)CC(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)C1 ZINC000963791171 1218041487 /nfs/dbraw/zinc/04/14/87/1218041487.db2.gz OPTMWTMLOURUHP-BSGOTLCWSA-N 1 0 335.448 2.105 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1O ZINC001019991872 1229432915 /nfs/dbraw/zinc/43/29/15/1229432915.db2.gz JNSUAAFDXGZUQD-HDJSIYSDSA-N 1 0 341.367 2.351 20 5 EEBDRO O=C(CC1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020034384 1229450732 /nfs/dbraw/zinc/45/07/32/1229450732.db2.gz AHXJRMPQVYWQMH-WKILWMFISA-N 1 0 347.415 2.148 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1F ZINC001020040837 1229453815 /nfs/dbraw/zinc/45/38/15/1229453815.db2.gz FFSQIQIMKGZHRY-JOCQHMNTSA-N 1 0 344.346 2.180 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001020045393 1229456504 /nfs/dbraw/zinc/45/65/04/1229456504.db2.gz AFWZJCYYWSGLCR-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC(F)(F)C1 ZINC001020058588 1229464586 /nfs/dbraw/zinc/46/45/86/1229464586.db2.gz OIXMVGOGCKCBDO-JOCQHMNTSA-N 1 0 339.342 2.377 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000119561928 1229547175 /nfs/dbraw/zinc/54/71/75/1229547175.db2.gz CWBLTWMYGICXNE-MNOVXSKESA-N 1 0 347.462 2.055 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119885470 1229623263 /nfs/dbraw/zinc/62/32/63/1229623263.db2.gz BFLNRVHSQNTBQI-LLVKDONJSA-N 1 0 347.462 2.009 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096111783 1234966169 /nfs/dbraw/zinc/96/61/69/1234966169.db2.gz KEGPPWRECIJQIV-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801971535 1236567026 /nfs/dbraw/zinc/56/70/26/1236567026.db2.gz LENURUOLCQDBHR-AWEZNQCLSA-N 1 0 338.383 2.166 20 5 EEBDRO CC(C)=CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096243550 1236595900 /nfs/dbraw/zinc/59/59/00/1236595900.db2.gz XQCSBAVRLYBQQT-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO O=C(c1cc[nH]c1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048834875 1238852588 /nfs/dbraw/zinc/85/25/88/1238852588.db2.gz GUYROYRJINTEGA-IYBDPMFKSA-N 1 0 340.383 2.127 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000903290982 1240187346 /nfs/dbraw/zinc/18/73/46/1240187346.db2.gz LANGORAUOURDQF-HNNXBMFYSA-N 1 0 341.433 2.061 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903337998 1240267833 /nfs/dbraw/zinc/26/78/33/1240267833.db2.gz APDUBCWQPMSEFH-CZUORRHYSA-N 1 0 339.411 2.365 20 5 EEBDRO CCCN(CCNC(=O)C1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001101194954 1245506734 /nfs/dbraw/zinc/50/67/34/1245506734.db2.gz QUVQQLWYYQWUEL-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001101708961 1246156565 /nfs/dbraw/zinc/15/65/65/1246156565.db2.gz ICQSQZBPUAOBAE-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000827506819 1248321710 /nfs/dbraw/zinc/32/17/10/1248321710.db2.gz ZEWYVRQKAHMPHS-CQSZACIVSA-N 1 0 335.404 2.277 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000815626766 1278154741 /nfs/dbraw/zinc/15/47/41/1278154741.db2.gz LPPWUVYMLYWXKI-SIUGBPQLSA-N 1 0 346.431 2.475 20 5 EEBDRO C[NH+]1CCN(c2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)nc2)CC1 ZINC001199801696 1285836846 /nfs/dbraw/zinc/83/68/46/1285836846.db2.gz GYBUPDHZLLKLNB-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851950880 1291929207 /nfs/dbraw/zinc/92/92/07/1291929207.db2.gz ABBAHYUJWUVCJZ-PWSUYJOCSA-N 1 0 340.380 2.238 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC(C[NH+](C)C)C1 ZINC000853651621 1292431736 /nfs/dbraw/zinc/43/17/36/1292431736.db2.gz ILQYNQURZYITED-UHFFFAOYSA-N 1 0 327.768 2.033 20 5 EEBDRO Cc1c(C(=O)NCC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855410019 1293205463 /nfs/dbraw/zinc/20/54/63/1293205463.db2.gz AGRZYJUQYHMSIP-VIFPVBQESA-N 1 0 338.364 2.190 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([NH+]4CCOCC4)CC3)nc2c1 ZINC000859354668 1294407335 /nfs/dbraw/zinc/40/73/35/1294407335.db2.gz GFLAZVLARWBRLP-UHFFFAOYSA-N 1 0 346.387 2.033 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000861034311 1295224771 /nfs/dbraw/zinc/22/47/71/1295224771.db2.gz PBCXOHQRYWABGM-ZDUSSCGKSA-N 1 0 326.324 2.002 20 5 EEBDRO C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC001218048209 1297558318 /nfs/dbraw/zinc/55/83/18/1297558318.db2.gz ULHGLJPTGQLVJA-APPZFPTMSA-N 1 0 348.140 2.329 20 5 EEBDRO COCC[NH+]1CCC(OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001223487062 1300151518 /nfs/dbraw/zinc/15/15/18/1300151518.db2.gz FGYQYWTXIFZVDU-UHFFFAOYSA-N 1 0 339.348 2.130 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[N@@H+]2C ZINC001225916230 1301198971 /nfs/dbraw/zinc/19/89/71/1301198971.db2.gz PEAMNIZGOIXTIU-SPGJAERMSA-N 1 0 338.335 2.280 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[N@@H+]2C ZINC001225916229 1301199054 /nfs/dbraw/zinc/19/90/54/1301199054.db2.gz PEAMNIZGOIXTIU-GDJRKYJOSA-N 1 0 338.335 2.280 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])c(C(=O)OC)cc1OC ZINC001226430869 1301409436 /nfs/dbraw/zinc/40/94/36/1301409436.db2.gz JVZNXPOQESHFSG-LLVKDONJSA-N 1 0 340.376 2.499 20 5 EEBDRO COc1cc2ncnc(O[C@@H](C)C[N+](C)(C)C)c2cc1OC(C)=O ZINC001228917721 1302521393 /nfs/dbraw/zinc/52/13/93/1302521393.db2.gz MMHJZHUUZTZEOX-NSHDSACASA-N 1 0 334.396 2.037 20 5 EEBDRO COC(=O)C[C@H]1CC(c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)=NO1 ZINC001229689196 1302916967 /nfs/dbraw/zinc/91/69/67/1302916967.db2.gz JGHJWOCLZSDXGA-CZUORRHYSA-N 1 0 335.424 2.216 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC001231204787 1303679646 /nfs/dbraw/zinc/67/96/46/1303679646.db2.gz WATPHYOXEVBADD-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001112359550 1304490936 /nfs/dbraw/zinc/49/09/36/1304490936.db2.gz YJVGPWFEFPOMDR-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncc(OCc2ccccc2)c1 ZINC001234293563 1304846204 /nfs/dbraw/zinc/84/62/04/1304846204.db2.gz GTKNZGBDZKTVSZ-MRXNPFEDSA-N 1 0 345.419 2.023 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1coc(CO[C@H]2CCCCO2)cc1=O ZINC001234845304 1305037825 /nfs/dbraw/zinc/03/78/25/1305037825.db2.gz SHXKLMFPNYBBPW-DYVFJYSZSA-N 1 0 326.413 2.157 20 5 EEBDRO CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530888 1305286308 /nfs/dbraw/zinc/28/63/08/1305286308.db2.gz WXZMWEMNBFUTGE-HUUCEWRRSA-N 1 0 325.453 2.497 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001120559167 1309610109 /nfs/dbraw/zinc/61/01/09/1309610109.db2.gz NVTWWJYLUDTXQE-QGZVFWFLSA-N 1 0 329.400 2.177 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])OCCc1cn2c(n1)CCCC2 ZINC001123036644 1310453710 /nfs/dbraw/zinc/45/37/10/1310453710.db2.gz ZCDGTAVMVPDUOI-UHFFFAOYSA-N 1 0 345.355 2.292 20 5 EEBDRO C[C@H]([NH3+])CN(C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246979497 1310487078 /nfs/dbraw/zinc/48/70/78/1310487078.db2.gz BKJSJYNWJOSJBZ-JTQLQIEISA-N 1 0 328.363 2.121 20 5 EEBDRO O[C@H]1CC[NH2+]C[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247756162 1310713329 /nfs/dbraw/zinc/71/33/29/1310713329.db2.gz INFNLCURURLZCV-ZFWWWQNUSA-N 1 0 347.378 2.271 20 5 EEBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162454888 1320860629 /nfs/dbraw/zinc/86/06/29/1320860629.db2.gz BAUXZZLOWIEYCZ-JQWIXIFHSA-N 1 0 336.392 2.132 20 5 EEBDRO CO[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000840121483 1315301086 /nfs/dbraw/zinc/30/10/86/1315301086.db2.gz ADNQOQANBZBMKF-SWLSCSKDSA-N 1 0 331.376 2.168 20 5 EEBDRO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H](C)[C@H]1C ZINC000841693838 1315598996 /nfs/dbraw/zinc/59/89/96/1315598996.db2.gz WCNRNQBNAGUTOL-AGIUHOORSA-N 1 0 346.387 2.297 20 5 EEBDRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843097214 1315841383 /nfs/dbraw/zinc/84/13/83/1315841383.db2.gz XLBNDCQVLHAHCS-FUHWJXTLSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)C[NH3+] ZINC000843354874 1315897944 /nfs/dbraw/zinc/89/79/44/1315897944.db2.gz ITOJQNIPAYNLEK-SNVBAGLBSA-N 1 0 342.827 2.492 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2C1 ZINC000843455175 1315917951 /nfs/dbraw/zinc/91/79/51/1315917951.db2.gz JZCJXLNEGPSGDZ-LLVKDONJSA-N 1 0 330.319 2.197 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccc(O)cc1 ZINC001249179342 1317018870 /nfs/dbraw/zinc/01/88/70/1317018870.db2.gz ISRROAXJFWFIFI-LLVKDONJSA-N 1 0 345.290 2.127 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001156000242 1317823791 /nfs/dbraw/zinc/82/37/91/1317823791.db2.gz RVBONTZBZRVQJQ-UHFFFAOYSA-N 1 0 343.387 2.011 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC001156477206 1318031326 /nfs/dbraw/zinc/03/13/26/1318031326.db2.gz IOASLZTWWLRRDY-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ncc(F)cn3)CC2)cc1 ZINC001254464193 1318080640 /nfs/dbraw/zinc/08/06/40/1318080640.db2.gz BRVHIIZAEPWFJK-UHFFFAOYSA-N 1 0 331.351 2.283 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](F)C[C@H](CO)C3)CC2)cc1 ZINC001254475237 1318082261 /nfs/dbraw/zinc/08/22/61/1318082261.db2.gz CUCHJLREJMCFKQ-UONOGXRCSA-N 1 0 337.395 2.216 20 5 EEBDRO CCOC(=O)C[N@H+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481080 1318084007 /nfs/dbraw/zinc/08/40/07/1318084007.db2.gz RCHZXPWWQOGEOD-UHFFFAOYSA-N 1 0 335.404 2.449 20 5 EEBDRO CC[N@@H+]1CCO[C@@H]2CN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557296 1318119761 /nfs/dbraw/zinc/11/97/61/1318119761.db2.gz PGSZQAZJABSYRC-QILLFSRXSA-N 1 0 333.432 2.178 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)Cc1cccc(F)c1)C2 ZINC001254578250 1318129846 /nfs/dbraw/zinc/12/98/46/1318129846.db2.gz CEKIILBYQIJXCN-IAGOWNOFSA-N 1 0 330.359 2.394 20 5 EEBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001254606090 1318142828 /nfs/dbraw/zinc/14/28/28/1318142828.db2.gz DNYSXGACPPKHGL-IAOVAPTHSA-N 1 0 329.400 2.005 20 5 EEBDRO Cc1nc(Cl)nc(N(c2cnccn2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157537700 1318701689 /nfs/dbraw/zinc/70/16/89/1318701689.db2.gz LRKOQFZWEXPJRY-UHFFFAOYSA-N 1 0 349.782 2.027 20 5 EEBDRO Cc1c(C)c(-n2nc(-c3ccccc3)nc2CC[NH3+])ncc1[N+](=O)[O-] ZINC001157897583 1318922540 /nfs/dbraw/zinc/92/25/40/1318922540.db2.gz WILMBPJEYWEUGJ-UHFFFAOYSA-N 1 0 338.371 2.356 20 5 EEBDRO CCOc1nc(-n2cc(CC[NH3+])c3ncccc32)ccc1[N+](=O)[O-] ZINC001158751803 1319419009 /nfs/dbraw/zinc/41/90/09/1319419009.db2.gz OUPJHYIMNUFSKV-UHFFFAOYSA-N 1 0 327.344 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001159025205 1319564615 /nfs/dbraw/zinc/56/46/15/1319564615.db2.gz NCRPHLJUKYOWRS-UHFFFAOYSA-N 1 0 325.372 2.242 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])n1 ZINC001160661108 1320224605 /nfs/dbraw/zinc/22/46/05/1320224605.db2.gz CYIZZSIRNNTLJZ-LBPRGKRZSA-N 1 0 345.403 2.303 20 5 EEBDRO COc1nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161364341 1320475468 /nfs/dbraw/zinc/47/54/68/1320475468.db2.gz PNNHGVCLPDYVEW-HAQNSBGRSA-N 1 0 344.375 2.196 20 5 EEBDRO COc1cc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161364235 1320475521 /nfs/dbraw/zinc/47/55/21/1320475521.db2.gz NGLVMKKFAVQPMS-HAQNSBGRSA-N 1 0 344.375 2.196 20 5 EEBDRO Cc1nc(-n2cnc(C[NH3+])c2)c([N+](=O)[O-])c(C)c1Br ZINC001162304215 1320816101 /nfs/dbraw/zinc/81/61/01/1320816101.db2.gz NCAJVHKJWSGMQG-UHFFFAOYSA-N 1 0 326.154 2.014 20 5 EEBDRO CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162370993 1320839329 /nfs/dbraw/zinc/83/93/29/1320839329.db2.gz QNPULTSABWSIFD-CQSZACIVSA-N 1 0 325.409 2.354 20 5 EEBDRO COc1cc(-n2cncc2-c2cccc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001162564021 1320899343 /nfs/dbraw/zinc/89/93/43/1320899343.db2.gz SGALMVZCWQFKNE-UHFFFAOYSA-N 1 0 325.328 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163071518 1321027913 /nfs/dbraw/zinc/02/79/13/1321027913.db2.gz DGCNZTZDVZMIOW-GFCCVEGCSA-N 1 0 331.294 2.404 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163363099 1321105940 /nfs/dbraw/zinc/10/59/40/1321105940.db2.gz PMRJIIXSPQDIKA-RISCZKNCSA-N 1 0 336.392 2.307 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163363094 1321105981 /nfs/dbraw/zinc/10/59/81/1321105981.db2.gz PMRJIIXSPQDIKA-BXUZGUMPSA-N 1 0 336.392 2.307 20 5 EEBDRO Cc1nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165421008 1321522516 /nfs/dbraw/zinc/52/25/16/1321522516.db2.gz GQXRIQCOMGLXCF-QAPCUYQASA-N 1 0 339.399 2.277 20 5 EEBDRO Cc1ncccc1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001166585230 1321745082 /nfs/dbraw/zinc/74/50/82/1321745082.db2.gz CWNHOIAMTCURJL-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO N=c1sc2c(n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC[NH2+]C2 ZINC001166859978 1321803732 /nfs/dbraw/zinc/80/37/32/1321803732.db2.gz FKYAJNQSPKZVBV-UHFFFAOYSA-N 1 0 346.199 2.274 20 5 EEBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001261435710 1322102883 /nfs/dbraw/zinc/10/28/83/1322102883.db2.gz CNLDOXNXBVFGCI-MUIFIZLQSA-N 1 0 338.452 2.450 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325326979 1333864245 /nfs/dbraw/zinc/86/42/45/1333864245.db2.gz RYYYJWNYIZCQTK-CORIIIEPSA-N 1 0 330.388 2.008 20 5 EEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC001328506191 1334470528 /nfs/dbraw/zinc/47/05/28/1334470528.db2.gz RATPHNWAXGGAJC-SCLBCKFNSA-N 1 0 344.415 2.148 20 5 EEBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001330931372 1334929508 /nfs/dbraw/zinc/92/95/08/1334929508.db2.gz YCKUHABGDXDZGW-KRWDZBQOSA-N 1 0 341.367 2.390 20 5 EEBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001332034621 1335711119 /nfs/dbraw/zinc/71/11/19/1335711119.db2.gz OVSMQIVMHVOVMA-QGZVFWFLSA-N 1 0 341.367 2.390 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001338535909 1336873624 /nfs/dbraw/zinc/87/36/24/1336873624.db2.gz WLYPIFUEJIHTOS-JSGCOSHPSA-N 1 0 347.337 2.245 20 5 EEBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001338717654 1336898759 /nfs/dbraw/zinc/89/87/59/1336898759.db2.gz CBWVEJRGGROTLL-QGZVFWFLSA-N 1 0 344.367 2.327 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(O)CCCc3ccccc32)cc1 ZINC001346212586 1337481254 /nfs/dbraw/zinc/48/12/54/1337481254.db2.gz AMDBADRKIRMDSM-RTBURBONSA-N 1 0 342.395 2.442 20 5 EEBDRO Nc1nccc(C(=O)NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000847384848 1338009248 /nfs/dbraw/zinc/00/92/48/1338009248.db2.gz UVKDXAHQYXOOKO-UHFFFAOYSA-N 1 0 349.435 2.348 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@H]1C ZINC000848485760 1338707513 /nfs/dbraw/zinc/70/75/13/1338707513.db2.gz WJDRADVDLJNWDG-JSGCOSHPSA-N 1 0 344.371 2.299 20 5 EEBDRO C[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001575063041 1343726101 /nfs/dbraw/zinc/72/61/01/1343726101.db2.gz PJKYHKRJIUSZNY-MZPVMMEZSA-N 1 0 335.379 2.295 20 5 EEBDRO CCOc1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001578168313 1344244326 /nfs/dbraw/zinc/24/43/26/1344244326.db2.gz GHZMFVBDHVAAIZ-INIZCTEOSA-N 1 0 334.376 2.211 20 5 EEBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC001579268078 1344362195 /nfs/dbraw/zinc/36/21/95/1344362195.db2.gz KWWLRMGBKRHITI-HNNXBMFYSA-N 1 0 335.404 2.004 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001580257888 1344501824 /nfs/dbraw/zinc/50/18/24/1344501824.db2.gz AHRIEFOKCNGHDJ-BDAKNGLRSA-N 1 0 329.303 2.053 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001580257890 1344501972 /nfs/dbraw/zinc/50/19/72/1344501972.db2.gz AHRIEFOKCNGHDJ-IUCAKERBSA-N 1 0 329.303 2.053 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC001580265037 1344503275 /nfs/dbraw/zinc/50/32/75/1344503275.db2.gz BODDGNHPUXHWLM-LLVKDONJSA-N 1 0 326.356 2.270 20 5 EEBDRO Nc1cc[nH+]cc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580462128 1344523861 /nfs/dbraw/zinc/52/38/61/1344523861.db2.gz DHGSWYWLIPHOFX-UHFFFAOYSA-N 1 0 340.261 2.351 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580566264 1344537722 /nfs/dbraw/zinc/53/77/22/1344537722.db2.gz PNAZFVWAJKBEOT-PXAZEXFGSA-N 1 0 342.399 2.219 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590256534 1349233178 /nfs/dbraw/zinc/23/31/78/1349233178.db2.gz GMZCFHYRWSGCQY-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+](CC1CC1)CC1CC1 ZINC001593467016 1349803401 /nfs/dbraw/zinc/80/34/01/1349803401.db2.gz JXXCJVWBYIARKW-UHFFFAOYSA-N 1 0 328.376 2.397 20 5 EEBDRO CC(C)(CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001603152018 1350650966 /nfs/dbraw/zinc/65/09/66/1350650966.db2.gz VCPCDMPXDNVQCK-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001604110560 1350861989 /nfs/dbraw/zinc/86/19/89/1350861989.db2.gz YNYSNXPBRQNRPO-GFCCVEGCSA-N 1 0 334.405 2.102 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1-c1nn[nH]n1 ZINC001604791680 1351005730 /nfs/dbraw/zinc/00/57/30/1351005730.db2.gz DKEFBJPJEWANOE-UHFFFAOYSA-N 1 0 338.371 2.449 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](CCCCO)CC1 ZINC000853373114 1369329310 /nfs/dbraw/zinc/32/93/10/1369329310.db2.gz LYRJUIRQYWKLIZ-UHFFFAOYSA-N 1 0 329.347 2.427 20 5 EEBDRO COc1cc(C[NH2+][C@H](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000799350823 1371647283 /nfs/dbraw/zinc/64/72/83/1371647283.db2.gz YBJJCEKGLJEMNU-OAHLLOKOSA-N 1 0 346.383 2.392 20 5 EEBDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001119243501 1371790224 /nfs/dbraw/zinc/79/02/24/1371790224.db2.gz UTKUJFRTQGTHTN-SJORKVTESA-N 1 0 347.463 2.421 20 5 EEBDRO Cc1cnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000834908854 1372574849 /nfs/dbraw/zinc/57/48/49/1372574849.db2.gz MEMBDGHZIKHXPZ-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO Cc1ccc(N(C)CCNC(=O)C23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC001100407116 1373035354 /nfs/dbraw/zinc/03/53/54/1373035354.db2.gz FCNNRWICFKXXBW-UHFFFAOYSA-N 1 0 346.431 2.084 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351981 1373141147 /nfs/dbraw/zinc/14/11/47/1373141147.db2.gz IWGAJQOSAYFBMG-UONOGXRCSA-N 1 0 332.404 2.232 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001576792314 1403604996 /nfs/dbraw/zinc/60/49/96/1403604996.db2.gz YCKWJPKQVSFPFC-DTORHVGOSA-N 1 0 331.294 2.436 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580609134 1403862603 /nfs/dbraw/zinc/86/26/03/1403862603.db2.gz KFNBVLIFZMXADV-QJPTWQEYSA-N 1 0 328.372 2.194 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc21 ZINC001165039827 721908286 /nfs/dbraw/zinc/90/82/86/721908286.db2.gz VSQCLFHUDVGUDS-OAHLLOKOSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000591137293 721916257 /nfs/dbraw/zinc/91/62/57/721916257.db2.gz SETWUEWOOCRZAO-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(-n2ccc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167730339 765274754 /nfs/dbraw/zinc/27/47/54/765274754.db2.gz GSGJRAXOZVTQHU-UHFFFAOYSA-N 1 0 332.360 2.237 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC001127534356 770602658 /nfs/dbraw/zinc/60/26/58/770602658.db2.gz DEUOCZHLDJHUSK-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000920445540 770707689 /nfs/dbraw/zinc/70/76/89/770707689.db2.gz JZWGIEVVEYYQAT-SNVBAGLBSA-N 1 0 336.348 2.026 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC000981138155 776584287 /nfs/dbraw/zinc/58/42/87/776584287.db2.gz NEAGSMKEJOEPIQ-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO CCC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000847032380 790846545 /nfs/dbraw/zinc/84/65/45/790846545.db2.gz KMOWSYVJFAGPCW-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO COC(=O)c1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001227911738 783305496 /nfs/dbraw/zinc/30/54/96/783305496.db2.gz NGGFDEJOMUJUFY-VIFPVBQESA-N 1 0 332.218 2.104 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)C(C)C ZINC000809790357 783395211 /nfs/dbraw/zinc/39/52/11/783395211.db2.gz CFOGTQJRARTJSR-UKTHLTGXSA-N 1 0 326.418 2.411 20 5 EEBDRO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000997770905 791040594 /nfs/dbraw/zinc/04/05/94/791040594.db2.gz AUCOIXHJMRXDEF-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO COc1nc(C)cc(C)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819011295 785362762 /nfs/dbraw/zinc/36/27/62/785362762.db2.gz OLXAILOXCUYNON-INIZCTEOSA-N 1 0 331.372 2.438 20 5 EEBDRO C[C@@H](COc1ccccc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818968454 785364146 /nfs/dbraw/zinc/36/41/46/785364146.db2.gz AWBNQSOQZYOWBK-HOCLYGCPSA-N 1 0 346.383 2.392 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000819170811 785445203 /nfs/dbraw/zinc/44/52/03/785445203.db2.gz ARILXNAHQBOVSB-JKSUJKDBSA-N 1 0 344.367 2.448 20 5 EEBDRO CN1Cc2ccccc2[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190228 785455805 /nfs/dbraw/zinc/45/58/05/785455805.db2.gz IHTUWSGEBAEHDQ-QZTJIDSGSA-N 1 0 327.384 2.405 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000820343429 785881233 /nfs/dbraw/zinc/88/12/33/785881233.db2.gz VTQZBRCRESHYTF-INIZCTEOSA-N 1 0 335.429 2.485 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001107276475 786689519 /nfs/dbraw/zinc/68/95/19/786689519.db2.gz JOQAAOJKHANNPR-IHWYPQMZSA-N 1 0 344.415 2.083 20 5 EEBDRO CC(C)c1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000911944050 787828694 /nfs/dbraw/zinc/82/86/94/787828694.db2.gz VLRALKVGORWGKM-UHFFFAOYSA-N 1 0 349.431 2.247 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000823605377 787828809 /nfs/dbraw/zinc/82/88/09/787828809.db2.gz JPSGNARKVXQPAO-ROUUACIJSA-N 1 0 330.384 2.468 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@](C)(O)c1ccccc1 ZINC000823606198 787829718 /nfs/dbraw/zinc/82/97/18/787829718.db2.gz QZIUSXDUAACVCW-MSOLQXFVSA-N 1 0 330.384 2.468 20 5 EEBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001109653467 805830616 /nfs/dbraw/zinc/83/06/16/805830616.db2.gz XAMGEKQFYBRVJN-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825110776 788440447 /nfs/dbraw/zinc/44/04/47/788440447.db2.gz INQUESLSKXZHMB-WMLDXEAASA-N 1 0 349.431 2.399 20 5 EEBDRO [NH3+]CCC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846226055 790094208 /nfs/dbraw/zinc/09/42/08/790094208.db2.gz YNCFPIKGPAFWSX-UHFFFAOYSA-N 1 0 340.811 2.248 20 5 EEBDRO CC(C)c1oncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146441205 791269007 /nfs/dbraw/zinc/26/90/07/791269007.db2.gz IEAMSPDRYYNULK-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000173532883 791862786 /nfs/dbraw/zinc/86/27/86/791862786.db2.gz XQKXAGYRRZEPET-HNNXBMFYSA-N 1 0 329.404 2.345 20 5 EEBDRO CCCc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001147719463 791924448 /nfs/dbraw/zinc/92/44/48/791924448.db2.gz ZPDSGOWABJYGOF-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO O=C(CCc1ccccc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148824876 792700019 /nfs/dbraw/zinc/70/00/19/792700019.db2.gz JKPYKXARMWEMCT-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cnn(CC3CCC3)c2)cc1 ZINC000921705899 795550912 /nfs/dbraw/zinc/55/09/12/795550912.db2.gz ZMARBZBHXVMSLX-QGZVFWFLSA-N 1 0 330.388 2.415 20 5 EEBDRO Cc1cc(NCCCNC(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001094472026 796303710 /nfs/dbraw/zinc/30/37/10/796303710.db2.gz TVHRKTYSNOZLIN-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206157947 796885968 /nfs/dbraw/zinc/88/59/68/796885968.db2.gz LKMDMZJWFIJYLQ-UHFFFAOYSA-N 1 0 341.371 2.402 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2ccnc2C)c1F ZINC001173175323 797276428 /nfs/dbraw/zinc/27/64/28/797276428.db2.gz AFEMWUFDSMHLPR-LLVKDONJSA-N 1 0 336.367 2.468 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1-n1cnnn1 ZINC001173218167 797298734 /nfs/dbraw/zinc/29/87/34/797298734.db2.gz JKIYHKRGQZYIGW-ZDUSSCGKSA-N 1 0 338.371 2.291 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001095181496 797491947 /nfs/dbraw/zinc/49/19/47/797491947.db2.gz BIPLAQSSWAXEFS-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO Cc1noc(C)c1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175875861 798276706 /nfs/dbraw/zinc/27/67/06/798276706.db2.gz ULBSIXSCNRTMOQ-UHFFFAOYSA-N 1 0 346.387 2.038 20 5 EEBDRO COc1ccc(Nc2cccnc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001176360610 798440171 /nfs/dbraw/zinc/44/01/71/798440171.db2.gz UAVOKLCVMNNRHJ-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786444 798607739 /nfs/dbraw/zinc/60/77/39/798607739.db2.gz AVTBPZCTTGFZMC-UKRRQHHQSA-N 1 0 337.807 2.086 20 5 EEBDRO Cc1cc(NC2(CNC(=O)CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001110317131 801241606 /nfs/dbraw/zinc/24/16/06/801241606.db2.gz DLDIODQSSJHKGH-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)CN1CCOCC1 ZINC000922588897 801419473 /nfs/dbraw/zinc/41/94/73/801419473.db2.gz DHOABJWJZCUQHR-OAHLLOKOSA-N 1 0 337.420 2.194 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001086042988 802003087 /nfs/dbraw/zinc/00/30/87/802003087.db2.gz HKWUYPWRAOYIID-BJHJDKERSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1nocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086465926 803032840 /nfs/dbraw/zinc/03/28/40/803032840.db2.gz BZLLMZDHOIOFFX-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967594 803553292 /nfs/dbraw/zinc/55/32/92/803553292.db2.gz RBSMUKKPPANQMP-MCIONIFRSA-N 1 0 327.425 2.421 20 5 EEBDRO COc1ccc(Cn2cncc2C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168996547 803562422 /nfs/dbraw/zinc/56/24/22/803562422.db2.gz VVNIJFCXXANGQZ-HZPDHXFCSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001487 803566428 /nfs/dbraw/zinc/56/64/28/803566428.db2.gz GLLXLWPUEGUONA-AAVRWANBSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169013856 803571541 /nfs/dbraw/zinc/57/15/41/803571541.db2.gz WWXVJDVGUUMJOS-KBPBESRZSA-N 1 0 339.436 2.375 20 5 EEBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169033628 803578767 /nfs/dbraw/zinc/57/87/67/803578767.db2.gz CQHYEWIASDLEQW-MCIONIFRSA-N 1 0 327.425 2.373 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)C1 ZINC001169017518 803586675 /nfs/dbraw/zinc/58/66/75/803586675.db2.gz AGMLSBVTPANWPD-IAVJCBSLSA-N 1 0 347.415 2.138 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)C1 ZINC001169020580 803587474 /nfs/dbraw/zinc/58/74/74/803587474.db2.gz JKCNCBRYRNQLFI-CWQOZTLDSA-N 1 0 338.448 2.480 20 5 EEBDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022222 803588717 /nfs/dbraw/zinc/58/87/17/803588717.db2.gz QWRZCNJRMGTTJB-LTIDMASMSA-N 1 0 326.437 2.339 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)C1 ZINC001169021997 803588750 /nfs/dbraw/zinc/58/87/50/803588750.db2.gz MCCFRAUDVFFDSV-ATLSCFEFSA-N 1 0 347.415 2.139 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)C1 ZINC001169025892 803591248 /nfs/dbraw/zinc/59/12/48/803591248.db2.gz ZTVBDAMTLMNOJE-IKGGRYGDSA-N 1 0 338.448 2.482 20 5 EEBDRO Cn1cc([C@@H]2COC3(C2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)cn1 ZINC001169025839 803591323 /nfs/dbraw/zinc/59/13/23/803591323.db2.gz ZGJRBEIBZMLMQX-HLLBOEOZSA-N 1 0 348.447 2.204 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026561 803592459 /nfs/dbraw/zinc/59/24/59/803592459.db2.gz MMZXCRFFFBRXHI-UONOGXRCSA-N 1 0 330.388 2.395 20 5 EEBDRO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169053142 803595947 /nfs/dbraw/zinc/59/59/47/803595947.db2.gz HRCQYQVEMLDVQH-UKPHBRMFSA-N 1 0 347.415 2.074 20 5 EEBDRO COc1cc(OC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169054220 803596470 /nfs/dbraw/zinc/59/64/70/803596470.db2.gz KWYGETSIWZELSE-KGLIPLIRSA-N 1 0 335.404 2.379 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169057880 803598189 /nfs/dbraw/zinc/59/81/89/803598189.db2.gz YNQKHLSZLPKPLN-RKTXRCNFSA-N 1 0 332.400 2.320 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000792040131 809573158 /nfs/dbraw/zinc/57/31/58/809573158.db2.gz HTJHKXLALKDDQQ-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO Cc1cc(N[C@@H]2C[NH+]3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001516166243 1118996848 /nfs/dbraw/zinc/99/68/48/1118996848.db2.gz PTVQNEIJKFPLGR-MRXNPFEDSA-N 1 0 339.399 2.288 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000054510002 214242221 /nfs/dbraw/zinc/24/22/21/214242221.db2.gz DDHBZNKXYHZVIX-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000173965160 231084480 /nfs/dbraw/zinc/08/44/80/231084480.db2.gz ITRTVFVGLRUXRG-SWLSCSKDSA-N 1 0 343.387 2.093 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174464412 231214441 /nfs/dbraw/zinc/21/44/41/231214441.db2.gz LAXRVPWVBSJNCK-UHFFFAOYSA-N 1 0 344.799 2.338 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175089361 231382049 /nfs/dbraw/zinc/38/20/49/231382049.db2.gz YDPXBPGQEHXEHZ-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1c(NC(=O)NCCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000175088035 231382184 /nfs/dbraw/zinc/38/21/84/231382184.db2.gz GMUPHKIFQSMFPL-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175086966 231382267 /nfs/dbraw/zinc/38/22/67/231382267.db2.gz ZJLQIWBUVKUPQJ-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103453156 282294849 /nfs/dbraw/zinc/29/48/49/282294849.db2.gz CHJXIMAWYWRWAD-UHFFFAOYSA-N 1 0 334.420 2.075 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000236746800 535035536 /nfs/dbraw/zinc/03/55/36/535035536.db2.gz ZRQKDEQKVDOIBM-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000103133675 219259165 /nfs/dbraw/zinc/25/91/65/219259165.db2.gz UZDMFXIPRXCUPF-HNNXBMFYSA-N 1 0 343.383 2.482 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183328551 235010717 /nfs/dbraw/zinc/01/07/17/235010717.db2.gz RFAYONWVPHAZIQ-QWRGUYRKSA-N 1 0 331.376 2.315 20 5 EEBDRO C[C@@H](Cc1ccccc1F)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188020478 236387631 /nfs/dbraw/zinc/38/76/31/236387631.db2.gz QFYWIDAQDKVTIT-JBBXEZCESA-N 1 0 348.374 2.349 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237993474 283503112 /nfs/dbraw/zinc/50/31/12/283503112.db2.gz CPDFLYJNYJWXTC-WBMJQRKESA-N 1 0 343.387 2.028 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129655148 223078864 /nfs/dbraw/zinc/07/88/64/223078864.db2.gz AZHXINJHJUCRIS-SWLSCSKDSA-N 1 0 328.372 2.022 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072834216 216313453 /nfs/dbraw/zinc/31/34/53/216313453.db2.gz NGWJTUCLOFBMGZ-MRXNPFEDSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000193303585 240097363 /nfs/dbraw/zinc/09/73/63/240097363.db2.gz FKOLNQGNWDOSFZ-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423577707 240532515 /nfs/dbraw/zinc/53/25/15/240532515.db2.gz SMOBTLWKPFJCQX-LLVKDONJSA-N 1 0 339.370 2.160 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c2c(c1)COCO2 ZINC000428566715 241612651 /nfs/dbraw/zinc/61/26/51/241612651.db2.gz POCFRHLOYSGYIE-CQSZACIVSA-N 1 0 342.351 2.424 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)[C@H]3CCCO3)o2)cc1 ZINC000447985564 242349335 /nfs/dbraw/zinc/34/93/35/242349335.db2.gz GNAJGHMXVZKAJG-NVXWUHKLSA-N 1 0 332.356 2.484 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237868421 242829374 /nfs/dbraw/zinc/82/93/74/242829374.db2.gz ZPFIXDBHVFJVAO-BBRMVZONSA-N 1 0 334.420 2.421 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237998873 242889975 /nfs/dbraw/zinc/88/99/75/242889975.db2.gz PMDMPDSZHNKDDA-NSHDSACASA-N 1 0 346.412 2.448 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451414611 243106558 /nfs/dbraw/zinc/10/65/58/243106558.db2.gz SSWJCMGWYBDVDT-UHFFFAOYSA-N 1 0 335.404 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC000451542749 243151085 /nfs/dbraw/zinc/15/10/85/243151085.db2.gz ADBQANZBENUFCO-WBVHZDCISA-N 1 0 330.388 2.032 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245521477 243124448 /nfs/dbraw/zinc/12/44/48/243124448.db2.gz KPDYWFIGWFDFCG-RYUDHWBXSA-N 1 0 349.387 2.174 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479571 243129168 /nfs/dbraw/zinc/12/91/68/243129168.db2.gz NMTIGFZAQSWSOW-DJIMGWMZSA-N 1 0 347.415 2.351 20 5 EEBDRO O=C(CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451611401 243176852 /nfs/dbraw/zinc/17/68/52/243176852.db2.gz PHIJYIIBEXBXMC-KBXCAEBGSA-N 1 0 347.415 2.310 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247167450 243386820 /nfs/dbraw/zinc/38/68/20/243386820.db2.gz AQYRGLVOMDKKAE-BDJLRTHQSA-N 1 0 330.388 2.488 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773475 245243538 /nfs/dbraw/zinc/24/35/38/245243538.db2.gz STTCOJXQODXLIN-HUUCEWRRSA-N 1 0 349.387 2.089 20 5 EEBDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263715114 245571023 /nfs/dbraw/zinc/57/10/23/245571023.db2.gz VQMMADXNKJCFMO-AVGNSLFASA-N 1 0 335.404 2.481 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264081214 246047391 /nfs/dbraw/zinc/04/73/91/246047391.db2.gz QGXMBQQIISZWFC-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000491796738 246156827 /nfs/dbraw/zinc/15/68/27/246156827.db2.gz NITWIOKCQBZELS-IMMZDGJCSA-N 1 0 333.363 2.300 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000266316876 248243686 /nfs/dbraw/zinc/24/36/86/248243686.db2.gz FBKXPIVTCCPCEP-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000091987474 218099578 /nfs/dbraw/zinc/09/95/78/218099578.db2.gz YZANSDQQIXBWKZ-SECBINFHSA-N 1 0 332.303 2.437 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770303 218248935 /nfs/dbraw/zinc/24/89/35/218248935.db2.gz RMYQAZSWQSATBX-ZDUSSCGKSA-N 1 0 337.420 2.386 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000160496275 255797572 /nfs/dbraw/zinc/79/75/72/255797572.db2.gz OBIPXGDXISHHMN-VHSXEESVSA-N 1 0 327.331 2.476 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000164067690 533211818 /nfs/dbraw/zinc/21/18/18/533211818.db2.gz QPHKCFWDULSQKY-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267166808 256033637 /nfs/dbraw/zinc/03/36/37/256033637.db2.gz BDTRBWLNVUPRPT-QGZVFWFLSA-N 1 0 342.399 2.129 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373435 256128329 /nfs/dbraw/zinc/12/83/29/256128329.db2.gz NHSUZTZFJGENMG-GTNSWQLSSA-N 1 0 342.399 2.218 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000270800982 256173947 /nfs/dbraw/zinc/17/39/47/256173947.db2.gz NPJASKIURHYNNL-OALUTQOASA-N 1 0 339.395 2.375 20 5 EEBDRO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000272983420 256254376 /nfs/dbraw/zinc/25/43/76/256254376.db2.gz UYPRHRNUZYHDMB-CQSZACIVSA-N 1 0 349.387 2.185 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000273391316 256292534 /nfs/dbraw/zinc/29/25/34/256292534.db2.gz IBIMKTBYSMMJRY-GGZOMVNGSA-N 1 0 343.305 2.423 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000119075966 221238911 /nfs/dbraw/zinc/23/89/11/221238911.db2.gz BDPGMPPWBMPETO-LBPRGKRZSA-N 1 0 335.408 2.011 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970141 256342429 /nfs/dbraw/zinc/34/24/29/256342429.db2.gz HIQFIFOHLREZCJ-GRYCIOLGSA-N 1 0 337.376 2.099 20 5 EEBDRO Cc1[nH]nc2ncc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc12 ZINC000348918076 144802101 /nfs/dbraw/zinc/80/21/01/144802101.db2.gz BIHCEVYOYGXBSH-UHFFFAOYSA-N 1 0 326.360 2.140 20 5 EEBDRO C[NH+](C)Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000078228629 292191404 /nfs/dbraw/zinc/19/14/04/292191404.db2.gz AILUMGBCBIVBDA-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000072897775 286167389 /nfs/dbraw/zinc/16/73/89/286167389.db2.gz XLFFBCQJNAZJCS-WMLDXEAASA-N 1 0 335.404 2.329 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000346210243 152851994 /nfs/dbraw/zinc/85/19/94/152851994.db2.gz ADNWESBOORMQCV-QWRGUYRKSA-N 1 0 335.360 2.193 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246915064 160300639 /nfs/dbraw/zinc/30/06/39/160300639.db2.gz MTFYVIBNGJBYCB-JKIFEVAISA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851087 161095714 /nfs/dbraw/zinc/09/57/14/161095714.db2.gz IGONZARNHCXYQG-SWLSCSKDSA-N 1 0 331.416 2.471 20 5 EEBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000343617447 161151719 /nfs/dbraw/zinc/15/17/19/161151719.db2.gz KNKZNDBZJCLJRP-NSHDSACASA-N 1 0 338.360 2.235 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344066306 161195546 /nfs/dbraw/zinc/19/55/46/161195546.db2.gz OUVYEWFKWYSWNJ-BQPHKTIFSA-N 1 0 344.371 2.409 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344699349 161236977 /nfs/dbraw/zinc/23/69/77/161236977.db2.gz WCTXQXCRNSASDL-OAHLLOKOSA-N 1 0 334.420 2.243 20 5 EEBDRO Cn1cnc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000344899444 161254635 /nfs/dbraw/zinc/25/46/35/161254635.db2.gz FJPUYYZWLHCEPQ-UHFFFAOYSA-N 1 0 327.344 2.316 20 5 EEBDRO CC(C)C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000345145520 161275990 /nfs/dbraw/zinc/27/59/90/161275990.db2.gz HKBGZEDGPHBWRX-LBPRGKRZSA-N 1 0 343.449 2.387 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000352915376 162344968 /nfs/dbraw/zinc/34/49/68/162344968.db2.gz OOTLNHMTOFGYOQ-PBHICJAKSA-N 1 0 348.447 2.456 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000355728686 163283673 /nfs/dbraw/zinc/28/36/73/163283673.db2.gz DSVMWGSXVOETLO-OKILXGFUSA-N 1 0 334.372 2.379 20 5 EEBDRO C[NH+]1CCC(N2CC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850307 165293891 /nfs/dbraw/zinc/29/38/91/165293891.db2.gz KVMUUJHALBXBDM-NSHDSACASA-N 1 0 340.374 2.453 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000373816904 166964180 /nfs/dbraw/zinc/96/41/80/166964180.db2.gz WINDMQZXYWVUDF-NVXWUHKLSA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000374397142 167034543 /nfs/dbraw/zinc/03/45/43/167034543.db2.gz AAQKQNDAEZUSFV-CQSZACIVSA-N 1 0 332.404 2.090 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277367530 269150969 /nfs/dbraw/zinc/15/09/69/269150969.db2.gz HKANTKYRFRLRST-QGZVFWFLSA-N 1 0 346.431 2.453 20 5 EEBDRO CC(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCN(C)CC1 ZINC000278500834 269234297 /nfs/dbraw/zinc/23/42/97/269234297.db2.gz XDUIMLPMSOKOFM-KRWDZBQOSA-N 1 0 347.463 2.247 20 5 EEBDRO CC1(C)C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052270 269258772 /nfs/dbraw/zinc/25/87/72/269258772.db2.gz KGFBDLBBWFBGRB-RHSMWYFYSA-N 1 0 333.432 2.364 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280252636 269342805 /nfs/dbraw/zinc/34/28/05/269342805.db2.gz BNYOKZSXMCGWLI-PBHICJAKSA-N 1 0 338.404 2.226 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280656299 269382999 /nfs/dbraw/zinc/38/29/99/269382999.db2.gz ZOJZZTAVRVCAIR-WBVHZDCISA-N 1 0 338.404 2.226 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280681869 269385075 /nfs/dbraw/zinc/38/50/75/269385075.db2.gz ATYCZAHDEMPBOF-UHFFFAOYSA-N 1 0 328.372 2.338 20 5 EEBDRO CCC(=O)c1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000280718064 269386296 /nfs/dbraw/zinc/38/62/96/269386296.db2.gz LYQBRBNSCNXWRX-UHFFFAOYSA-N 1 0 335.404 2.446 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000280933883 269398728 /nfs/dbraw/zinc/39/87/28/269398728.db2.gz KRPCGKMGYNKNBQ-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497797 274094533 /nfs/dbraw/zinc/09/45/33/274094533.db2.gz YBGCZYFYKKSJSZ-KGLIPLIRSA-N 1 0 331.376 2.468 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000278211689 274341531 /nfs/dbraw/zinc/34/15/31/274341531.db2.gz FRJFLRPCKJXNTR-SNVBAGLBSA-N 1 0 348.325 2.267 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000286843553 274911858 /nfs/dbraw/zinc/91/18/58/274911858.db2.gz LXLCGONEORQZTE-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246977361 275029707 /nfs/dbraw/zinc/02/97/07/275029707.db2.gz XZTVTCMKPROHCH-XYPHTWIQSA-N 1 0 345.399 2.201 20 5 EEBDRO CCC[C@]1(CO)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000288721337 275082322 /nfs/dbraw/zinc/08/23/22/275082322.db2.gz FYWNINDJILVNCW-KRWDZBQOSA-N 1 0 335.404 2.326 20 5 EEBDRO CCC[C@@]1(CO)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288752137 275083840 /nfs/dbraw/zinc/08/38/40/275083840.db2.gz IBZWCMNPQHEVES-QGZVFWFLSA-N 1 0 338.404 2.467 20 5 EEBDRO CC[NH+](CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290503908 275213297 /nfs/dbraw/zinc/21/32/97/275213297.db2.gz DPTRZJLGVJFQND-GFCCVEGCSA-N 1 0 347.375 2.177 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1OCCc2sccc21 ZINC000292404346 275422871 /nfs/dbraw/zinc/42/28/71/275422871.db2.gz LNRNCFWNMHXEKG-ZBEGNZNMSA-N 1 0 349.412 2.110 20 5 EEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165089181 276587856 /nfs/dbraw/zinc/58/78/56/276587856.db2.gz XNYURZKUHFLJPX-ZFWWWQNUSA-N 1 0 335.404 2.191 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269267216 288028525 /nfs/dbraw/zinc/02/85/25/288028525.db2.gz KZRKFKLPMIUMBF-LDYMZIIASA-N 1 0 331.294 2.423 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262588700 278408420 /nfs/dbraw/zinc/40/84/20/278408420.db2.gz YANNBDFVMUIAJB-GHMZBOCLSA-N 1 0 341.795 2.131 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000408435059 288101697 /nfs/dbraw/zinc/10/16/97/288101697.db2.gz LAIFGAUPTFFFAM-UONOGXRCSA-N 1 0 346.431 2.360 20 5 EEBDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344206079 279264040 /nfs/dbraw/zinc/26/40/40/279264040.db2.gz DUJJPKWXXKGQOE-GFCCVEGCSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000182664554 281019653 /nfs/dbraw/zinc/01/96/53/281019653.db2.gz XYEWCAWRBHTWHH-CYBMUJFWSA-N 1 0 332.404 2.454 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237459119 289777868 /nfs/dbraw/zinc/77/78/68/289777868.db2.gz NHSPXNMMUPZCQG-ONGXEEELSA-N 1 0 347.824 2.139 20 5 EEBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294279368 293413780 /nfs/dbraw/zinc/41/37/80/293413780.db2.gz MFZITVKZSFPEBW-NSHDSACASA-N 1 0 341.433 2.185 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000295419250 293713732 /nfs/dbraw/zinc/71/37/32/293713732.db2.gz DWMFJMIUQGPVDQ-UHFFFAOYSA-N 1 0 335.404 2.277 20 5 EEBDRO NC(=O)[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225139 294185082 /nfs/dbraw/zinc/18/50/82/294185082.db2.gz HMEXGFSUAGFKKB-GDBMZVCRSA-N 1 0 326.356 2.183 20 5 EEBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298912135 294615725 /nfs/dbraw/zinc/61/57/25/294615725.db2.gz DENZYDGJDRQMNH-UHFFFAOYSA-N 1 0 338.433 2.014 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237903374 303400246 /nfs/dbraw/zinc/40/02/46/303400246.db2.gz AYIXBWJKHRCJLU-ONGXEEELSA-N 1 0 347.824 2.044 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171447434 303579107 /nfs/dbraw/zinc/57/91/07/303579107.db2.gz SIIZASJECIBBPN-KRWDZBQOSA-N 1 0 346.431 2.484 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000160946161 311360158 /nfs/dbraw/zinc/36/01/58/311360158.db2.gz FPVHUKILHVQQKY-AWEZNQCLSA-N 1 0 345.403 2.141 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330661043 311774916 /nfs/dbraw/zinc/77/49/16/311774916.db2.gz ZCQNGAKMOWIDSI-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331404678 311847979 /nfs/dbraw/zinc/84/79/79/311847979.db2.gz DZZSXKJMFBLOKF-HZPDHXFCSA-N 1 0 346.435 2.458 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000417712541 313573966 /nfs/dbraw/zinc/57/39/66/313573966.db2.gz GBRSRFJLTSBHMS-ZIAGYGMSSA-N 1 0 349.435 2.084 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418368488 313795428 /nfs/dbraw/zinc/79/54/28/313795428.db2.gz MRHKAAWNEWBKCU-HUUCEWRRSA-N 1 0 332.404 2.236 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000421767458 314159450 /nfs/dbraw/zinc/15/94/50/314159450.db2.gz ARNZSJZUMTZNLS-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000517004255 316626862 /nfs/dbraw/zinc/62/68/62/316626862.db2.gz SWSSINPQJCQYGE-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000536833370 318010884 /nfs/dbraw/zinc/01/08/84/318010884.db2.gz NNGJQFLXTJGILV-GHMZBOCLSA-N 1 0 330.406 2.077 20 5 EEBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539043366 318051182 /nfs/dbraw/zinc/05/11/82/318051182.db2.gz BOACOKLOCISNHZ-WFASDCNBSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553830184 318541782 /nfs/dbraw/zinc/54/17/82/318541782.db2.gz AGIPLXIPQYVIIB-CJNGLKHVSA-N 1 0 332.404 2.363 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558691702 318726331 /nfs/dbraw/zinc/72/63/31/318726331.db2.gz HKBTWDJXOZEWGV-XJKSGUPXSA-N 1 0 337.420 2.171 20 5 EEBDRO Cc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000565244122 319166083 /nfs/dbraw/zinc/16/60/83/319166083.db2.gz FHRIUNLQBCRFST-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cc3ccccc3s2)c1 ZINC000566005331 319234586 /nfs/dbraw/zinc/23/45/86/319234586.db2.gz DQCFNIKOZHSDFL-AWEZNQCLSA-N 1 0 346.412 2.199 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567841543 319424998 /nfs/dbraw/zinc/42/49/98/319424998.db2.gz HLOXGOSCYSRFMO-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569494014 319582296 /nfs/dbraw/zinc/58/22/96/319582296.db2.gz FQSZQFMQWPIENK-GFCCVEGCSA-N 1 0 331.376 2.095 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000573250870 319917687 /nfs/dbraw/zinc/91/76/87/319917687.db2.gz IJEOECMKMPDCLU-MRXNPFEDSA-N 1 0 348.447 2.301 20 5 EEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000581022082 324171332 /nfs/dbraw/zinc/17/13/32/324171332.db2.gz KMJAVWCYFOPERN-LBPRGKRZSA-N 1 0 340.399 2.323 20 5 EEBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000581022081 324171707 /nfs/dbraw/zinc/17/17/07/324171707.db2.gz KMJAVWCYFOPERN-GFCCVEGCSA-N 1 0 340.399 2.323 20 5 EEBDRO CCCc1nc(C)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000581938964 324344660 /nfs/dbraw/zinc/34/46/60/324344660.db2.gz DIXLJBGNLPWLGB-CQSZACIVSA-N 1 0 349.387 2.373 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000584048107 324785304 /nfs/dbraw/zinc/78/53/04/324785304.db2.gz CMNMTFSQIIMRIA-ZIAGYGMSSA-N 1 0 336.388 2.026 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000292517593 464259430 /nfs/dbraw/zinc/25/94/30/464259430.db2.gz BNRDFSLOSNXINP-JTQLQIEISA-N 1 0 326.372 2.166 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251489 465129503 /nfs/dbraw/zinc/12/95/03/465129503.db2.gz XLBDIOKYURLSKO-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](SC)C1 ZINC000296329873 465158891 /nfs/dbraw/zinc/15/88/91/465158891.db2.gz PFTGUIGBAVSHKK-LBPRGKRZSA-N 1 0 339.417 2.369 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000358682603 465262179 /nfs/dbraw/zinc/26/21/79/465262179.db2.gz LSDPQWDMTFFYLJ-GOEBONIOSA-N 1 0 332.404 2.329 20 5 EEBDRO COCc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000521104509 468290690 /nfs/dbraw/zinc/29/06/90/468290690.db2.gz XAEDVGYUQCRCQA-MRXNPFEDSA-N 1 0 346.383 2.271 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000060859436 462568171 /nfs/dbraw/zinc/56/81/71/462568171.db2.gz JMTLROZJSGKJIW-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000127785262 462582920 /nfs/dbraw/zinc/58/29/20/462582920.db2.gz XDGRBJKVWGTDRH-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000062270039 462612135 /nfs/dbraw/zinc/61/21/35/462612135.db2.gz JPQDHWYXVAVTCB-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000114147978 462629590 /nfs/dbraw/zinc/62/95/90/462629590.db2.gz RIAFRZLYKSHIHX-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688175 462667677 /nfs/dbraw/zinc/66/76/77/462667677.db2.gz QSIWZLHMPOYWQD-MRXNPFEDSA-N 1 0 328.372 2.409 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000154374787 462761137 /nfs/dbraw/zinc/76/11/37/462761137.db2.gz XDZYHIOFIGALHE-UHFFFAOYSA-N 1 0 349.387 2.187 20 5 EEBDRO COc1ccccc1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550126 462796335 /nfs/dbraw/zinc/79/63/35/462796335.db2.gz SRNCNUXNEVBJRY-CQSZACIVSA-N 1 0 343.383 2.255 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000077570700 463007260 /nfs/dbraw/zinc/00/72/60/463007260.db2.gz JQNDSUFNXNFHPN-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000067806722 463053743 /nfs/dbraw/zinc/05/37/43/463053743.db2.gz XDBBIMOHHFUBLB-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000052641247 463097918 /nfs/dbraw/zinc/09/79/18/463097918.db2.gz NTEJLXNYRXYMRH-LBPRGKRZSA-N 1 0 332.404 2.383 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078454820 463118042 /nfs/dbraw/zinc/11/80/42/463118042.db2.gz FVMAYNUSBZJKDA-GFCCVEGCSA-N 1 0 345.403 2.142 20 5 EEBDRO Cn1cc(C(=O)NCC(C)(C)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053117241 463134216 /nfs/dbraw/zinc/13/42/16/463134216.db2.gz KZQNBNZOVJSZLN-UHFFFAOYSA-N 1 0 345.403 2.065 20 5 EEBDRO COC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000026219670 463155732 /nfs/dbraw/zinc/15/57/32/463155732.db2.gz JJTFBSRMZGECGP-UHFFFAOYSA-N 1 0 349.387 2.117 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000069045149 463202279 /nfs/dbraw/zinc/20/22/79/463202279.db2.gz ZWSVPZBSGPBAMG-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000055400471 463315336 /nfs/dbraw/zinc/31/53/36/463315336.db2.gz VTFCIOIFHVQSDD-UONOGXRCSA-N 1 0 335.404 2.210 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140037381 463336233 /nfs/dbraw/zinc/33/62/33/463336233.db2.gz UQNZSOBPFIXRIX-RHSMWYFYSA-N 1 0 346.431 2.258 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032730096 463390805 /nfs/dbraw/zinc/39/08/05/463390805.db2.gz WWSXDBOFPPZJIZ-OAHLLOKOSA-N 1 0 334.351 2.105 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000071063216 463405903 /nfs/dbraw/zinc/40/59/03/463405903.db2.gz APZWSODRUKGFMT-KRWDZBQOSA-N 1 0 343.383 2.393 20 5 EEBDRO CCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161963273 463472421 /nfs/dbraw/zinc/47/24/21/463472421.db2.gz ASWJXCBQVBOQHZ-GFCCVEGCSA-N 1 0 329.422 2.041 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125046789 463495648 /nfs/dbraw/zinc/49/56/48/463495648.db2.gz XBNJGHWRNNXORL-UWVGGRQHSA-N 1 0 347.824 2.105 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000041630987 463499256 /nfs/dbraw/zinc/49/92/56/463499256.db2.gz IYFYMISUVHFKGI-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000073132202 463588133 /nfs/dbraw/zinc/58/81/33/463588133.db2.gz IJPBGHBQQVOOLL-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000108395400 463603707 /nfs/dbraw/zinc/60/37/07/463603707.db2.gz SWXLBUAUPPLSRW-OAHLLOKOSA-N 1 0 335.404 2.475 20 5 EEBDRO C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000286828175 463718278 /nfs/dbraw/zinc/71/82/78/463718278.db2.gz OKOFNEFBJBEBDF-CQSZACIVSA-N 1 0 346.431 2.429 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286928262 463745282 /nfs/dbraw/zinc/74/52/82/463745282.db2.gz DQNYJATXFTWXMM-BBRMVZONSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287006825 463770846 /nfs/dbraw/zinc/77/08/46/463770846.db2.gz KLSXQZQHTHVPMQ-KGLIPLIRSA-N 1 0 340.445 2.330 20 5 EEBDRO CCOc1cc(CN(CCS(C)(=O)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276987671 463831730 /nfs/dbraw/zinc/83/17/30/463831730.db2.gz ZJTPPHQFUJKXEY-UHFFFAOYSA-N 1 0 344.433 2.249 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261713732 463836258 /nfs/dbraw/zinc/83/62/58/463836258.db2.gz KRIULEJZVDOAEN-JKSUJKDBSA-N 1 0 341.367 2.170 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000287310087 463866003 /nfs/dbraw/zinc/86/60/03/463866003.db2.gz NEIJSYGVRDOCSH-CYBMUJFWSA-N 1 0 335.404 2.468 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194532643 463878834 /nfs/dbraw/zinc/87/88/34/463878834.db2.gz QUWICSMAZFSXCI-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000269124441 463883692 /nfs/dbraw/zinc/88/36/92/463883692.db2.gz LKQPMVYACYQALV-CQSZACIVSA-N 1 0 346.431 2.265 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000269284950 463940278 /nfs/dbraw/zinc/94/02/78/463940278.db2.gz QVMBUKVWXNLVHH-GOEBONIOSA-N 1 0 330.388 2.274 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262570432 464032862 /nfs/dbraw/zinc/03/28/62/464032862.db2.gz GYTRBEOPKGAPOU-SECBINFHSA-N 1 0 347.293 2.018 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000269760139 464084680 /nfs/dbraw/zinc/08/46/80/464084680.db2.gz APJXJFHMBCHORS-KRWDZBQOSA-N 1 0 333.388 2.257 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172840281 464153270 /nfs/dbraw/zinc/15/32/70/464153270.db2.gz WSJAPDKXWZNNGC-GFCCVEGCSA-N 1 0 345.403 2.418 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270070057 464178473 /nfs/dbraw/zinc/17/84/73/464178473.db2.gz HXOOJPPARKAEDM-MRXNPFEDSA-N 1 0 346.431 2.468 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000270117187 464191818 /nfs/dbraw/zinc/19/18/18/464191818.db2.gz NFPIXXGAMMTBSB-HZMBPMFUSA-N 1 0 341.795 2.280 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000284458765 464199401 /nfs/dbraw/zinc/19/94/01/464199401.db2.gz RTOYBXYSNZNQAU-XHDPSFHLSA-N 1 0 333.388 2.206 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180006564 464223533 /nfs/dbraw/zinc/22/35/33/464223533.db2.gz BLWZAACGVYLZEU-LLVKDONJSA-N 1 0 343.330 2.410 20 5 EEBDRO COc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000237081983 464262444 /nfs/dbraw/zinc/26/24/44/464262444.db2.gz WMXHEJPBDLGHMC-LBPRGKRZSA-N 1 0 339.392 2.057 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)cc1OC(F)F ZINC000188501303 464296304 /nfs/dbraw/zinc/29/63/04/464296304.db2.gz CAHFJYPNTKURCF-UHFFFAOYSA-N 1 0 331.319 2.330 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[N@@H+]1CCCOCC1 ZINC000188498599 464296470 /nfs/dbraw/zinc/29/64/70/464296470.db2.gz LOYONNFLLIQYRK-UHFFFAOYSA-N 1 0 344.209 2.492 20 5 EEBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180463484 464315817 /nfs/dbraw/zinc/31/58/17/464315817.db2.gz HQRRSAAOZPXCAJ-OAHLLOKOSA-N 1 0 343.449 2.353 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000237570570 464341975 /nfs/dbraw/zinc/34/19/75/464341975.db2.gz QKGQDBHFRIHVGV-GUYCJALGSA-N 1 0 342.399 2.459 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281199176 464368545 /nfs/dbraw/zinc/36/85/45/464368545.db2.gz PDCPYBGSUDFMCF-IAQYHMDHSA-N 1 0 343.387 2.164 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000188882473 464387921 /nfs/dbraw/zinc/38/79/21/464387921.db2.gz UXSVKNGDNGRCQJ-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000281507898 464482982 /nfs/dbraw/zinc/48/29/82/464482982.db2.gz IJHACHSIFNPLNE-KBPBESRZSA-N 1 0 347.415 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000281582420 464511898 /nfs/dbraw/zinc/51/18/98/464511898.db2.gz MYXBVRMPENRDCG-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccnc1 ZINC000181655794 464518702 /nfs/dbraw/zinc/51/87/02/464518702.db2.gz OVFXCSDAMQYJTH-WBMJQRKESA-N 1 0 326.356 2.446 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272226265 464526363 /nfs/dbraw/zinc/52/63/63/464526363.db2.gz CWXXDBQLIIYURN-BXUZGUMPSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000182226371 464604150 /nfs/dbraw/zinc/60/41/50/464604150.db2.gz YXCRVSVGMPQCEP-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285615371 464629612 /nfs/dbraw/zinc/62/96/12/464629612.db2.gz WBTZCIWQXJZJMJ-CHWSQXEVSA-N 1 0 335.408 2.045 20 5 EEBDRO CC[NH+](CC)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272516398 464641190 /nfs/dbraw/zinc/64/11/90/464641190.db2.gz KDQNCBKNQQVVGM-MRXNPFEDSA-N 1 0 331.420 2.349 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000285664616 464648446 /nfs/dbraw/zinc/64/84/46/464648446.db2.gz DNSLZZSYFMPJKG-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272568896 464663229 /nfs/dbraw/zinc/66/32/29/464663229.db2.gz YQTUGQPILYMYPO-UHFFFAOYSA-N 1 0 325.796 2.249 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000175980754 464672390 /nfs/dbraw/zinc/67/23/90/464672390.db2.gz LZGYZHWCYXZTHD-OAHLLOKOSA-N 1 0 334.420 2.417 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593894 464672599 /nfs/dbraw/zinc/67/25/99/464672599.db2.gz OJQUXSMLGLXOKA-HOTGVXAUSA-N 1 0 346.431 2.263 20 5 EEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(OC)c1 ZINC000247485163 464684343 /nfs/dbraw/zinc/68/43/43/464684343.db2.gz KMDAJWGFZZEVDY-CZUORRHYSA-N 1 0 348.403 2.244 20 5 EEBDRO C[C@H](c1ccccc1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266750731 464809034 /nfs/dbraw/zinc/80/90/34/464809034.db2.gz PRYWAFCQXGYRTC-DYVFJYSZSA-N 1 0 330.388 2.378 20 5 EEBDRO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282456370 464826015 /nfs/dbraw/zinc/82/60/15/464826015.db2.gz MFNPAXARJZONOU-JTQLQIEISA-N 1 0 333.310 2.136 20 5 EEBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192189109 464882590 /nfs/dbraw/zinc/88/25/90/464882590.db2.gz SIKYZTXDEYPARA-JSGCOSHPSA-N 1 0 326.418 2.162 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286659505 464995417 /nfs/dbraw/zinc/99/54/17/464995417.db2.gz UNLWAOKSFIHRBZ-RYUDHWBXSA-N 1 0 348.321 2.466 20 5 EEBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cn2)nnc1C1CC[NH2+]CC1 ZINC000253419593 465006934 /nfs/dbraw/zinc/00/69/34/465006934.db2.gz QCGXVCXZHONJPJ-UHFFFAOYSA-N 1 0 349.420 2.175 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193036724 465023518 /nfs/dbraw/zinc/02/35/18/465023518.db2.gz UFCKOUKQQBPYFQ-SWLSCSKDSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1C1CC1 ZINC000342935569 465399461 /nfs/dbraw/zinc/39/94/61/465399461.db2.gz SMINHBIDGNBJON-MNOVXSKESA-N 1 0 328.372 2.431 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339628068 465399549 /nfs/dbraw/zinc/39/95/49/465399549.db2.gz GPCRZHDMQQUYPA-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000352350718 465519027 /nfs/dbraw/zinc/51/90/27/465519027.db2.gz PIOCDQQBVJZKBI-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339814781 465526573 /nfs/dbraw/zinc/52/65/73/465526573.db2.gz OPKIBQKSXJCLQZ-UHFFFAOYSA-N 1 0 326.312 2.181 20 5 EEBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCO1 ZINC000348283443 465530393 /nfs/dbraw/zinc/53/03/93/465530393.db2.gz XMVNNZQWCWRZAZ-UKRRQHHQSA-N 1 0 349.387 2.440 20 5 EEBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)CC1CC1 ZINC000356772402 465531540 /nfs/dbraw/zinc/53/15/40/465531540.db2.gz ASYDDFWNYKASNH-UHFFFAOYSA-N 1 0 348.451 2.305 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299057357 465581337 /nfs/dbraw/zinc/58/13/37/465581337.db2.gz PVDZGCPQDPCUQD-ZBFHGGJFSA-N 1 0 328.372 2.433 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360879604 465621392 /nfs/dbraw/zinc/62/13/92/465621392.db2.gz JFBUZQPWORMENQ-TXEJJXNPSA-N 1 0 325.413 2.031 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330584253 465718712 /nfs/dbraw/zinc/71/87/12/465718712.db2.gz KWWQPNKTXWXCAZ-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO CNc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125157 465783474 /nfs/dbraw/zinc/78/34/74/465783474.db2.gz VRJSZRYDBODQPS-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340146538 465814697 /nfs/dbraw/zinc/81/46/97/465814697.db2.gz GJJDFERATOJLIX-LBPRGKRZSA-N 1 0 330.388 2.171 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000591352775 468456189 /nfs/dbraw/zinc/45/61/89/468456189.db2.gz PLYCGRJPOMKVST-AWEZNQCLSA-N 1 0 349.435 2.147 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166682 465953350 /nfs/dbraw/zinc/95/33/50/465953350.db2.gz SAOANSKCSPKOHI-VBQJREDUSA-N 1 0 331.416 2.326 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346183357 465971069 /nfs/dbraw/zinc/97/10/69/465971069.db2.gz CSIWBYVIDYSLAD-SNVBAGLBSA-N 1 0 334.401 2.398 20 5 EEBDRO COc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346249696 466028376 /nfs/dbraw/zinc/02/83/76/466028376.db2.gz XKRKEQOOVYECLO-UMVBOHGHSA-N 1 0 347.415 2.406 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3sccc3[N+](=O)[O-])cn2)CC1 ZINC000302008967 466078849 /nfs/dbraw/zinc/07/88/49/466078849.db2.gz XKTWVKWKMVZCBP-UHFFFAOYSA-N 1 0 333.417 2.415 20 5 EEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336013 466086041 /nfs/dbraw/zinc/08/60/41/466086041.db2.gz PKEZPCMUBWTZAM-IAOVAPTHSA-N 1 0 342.399 2.198 20 5 EEBDRO Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338693890 466316440 /nfs/dbraw/zinc/31/64/40/466316440.db2.gz CWWUHEKCVRMBPH-ZDUSSCGKSA-N 1 0 333.310 2.401 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332056373 466365373 /nfs/dbraw/zinc/36/53/73/466365373.db2.gz OSKJFJSMLWMXSI-CJNGLKHVSA-N 1 0 332.404 2.139 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000305460160 466410682 /nfs/dbraw/zinc/41/06/82/466410682.db2.gz VGYGZXOXCSXRPA-WBMJQRKESA-N 1 0 335.404 2.325 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000340900953 466420993 /nfs/dbraw/zinc/42/09/93/466420993.db2.gz JGEDEYXJYNUBJU-LBPRGKRZSA-N 1 0 325.413 2.032 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000350320517 466461961 /nfs/dbraw/zinc/46/19/61/466461961.db2.gz RIRGZZVHBXSHRH-UHFFFAOYSA-N 1 0 341.367 2.179 20 5 EEBDRO COCCNC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000347280683 466532556 /nfs/dbraw/zinc/53/25/56/466532556.db2.gz XSISIXYWLFFITN-CZUORRHYSA-N 1 0 337.420 2.423 20 5 EEBDRO CC[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591669272 468500673 /nfs/dbraw/zinc/50/06/73/468500673.db2.gz MWSLWJLCWZMQBB-STQMWFEESA-N 1 0 327.331 2.407 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000347401550 466613882 /nfs/dbraw/zinc/61/38/82/466613882.db2.gz CWDSCMOYNASLPZ-SNVBAGLBSA-N 1 0 343.225 2.449 20 5 EEBDRO O=c1[nH]cnc2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000324340884 466646056 /nfs/dbraw/zinc/64/60/56/466646056.db2.gz YTZMZLJGRSHMAR-SNVBAGLBSA-N 1 0 329.360 2.140 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000324810320 466649683 /nfs/dbraw/zinc/64/96/83/466649683.db2.gz SDSHWXKVDCSCOE-AWEZNQCLSA-N 1 0 332.404 2.337 20 5 EEBDRO C[N@@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000369775309 466752271 /nfs/dbraw/zinc/75/22/71/466752271.db2.gz XHTWEKOJTQIVIA-QZTJIDSGSA-N 1 0 339.395 2.351 20 5 EEBDRO COc1cccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000423517092 466763662 /nfs/dbraw/zinc/76/36/62/466763662.db2.gz ULNCBRFSMDGOEF-LLVKDONJSA-N 1 0 342.355 2.067 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820100 466855152 /nfs/dbraw/zinc/85/51/52/466855152.db2.gz BNQLHKDWVRKCQE-LSDHHAIUSA-N 1 0 332.404 2.172 20 5 EEBDRO O=C(CC[NH2+]C1(C2CC2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000375697351 466865700 /nfs/dbraw/zinc/86/57/00/466865700.db2.gz LECVFMPDLHMCRB-UHFFFAOYSA-N 1 0 333.388 2.472 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000365604121 466878956 /nfs/dbraw/zinc/87/89/56/466878956.db2.gz VKUJTAWEFCBQOA-ZWKOTPCHSA-N 1 0 349.431 2.207 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712514 466915439 /nfs/dbraw/zinc/91/54/39/466915439.db2.gz FXUODNGGZFQSLS-KGLIPLIRSA-N 1 0 349.435 2.274 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417733559 466919270 /nfs/dbraw/zinc/91/92/70/466919270.db2.gz UQHOCHDSXQUOCB-CVEARBPZSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417759006 466925664 /nfs/dbraw/zinc/92/56/64/466925664.db2.gz CZCQUZPYIMZLRM-HZPDHXFCSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@H]1CN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@H]1[NH3+] ZINC000423980966 466935317 /nfs/dbraw/zinc/93/53/17/466935317.db2.gz QKDKXFOSQNDGNJ-ZUZCIYMTSA-N 1 0 339.370 2.240 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000424045255 466962866 /nfs/dbraw/zinc/96/28/66/466962866.db2.gz HRLQYUOXXNAPOY-UHFFFAOYSA-N 1 0 344.209 2.143 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417937689 466993927 /nfs/dbraw/zinc/99/39/27/466993927.db2.gz IOMINHNCDFPLAO-SHTZXODSSA-N 1 0 334.420 2.202 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418227858 467080212 /nfs/dbraw/zinc/08/02/12/467080212.db2.gz CWMFITZMLPPLOL-AEGPPILISA-N 1 0 332.404 2.297 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418406447 467106038 /nfs/dbraw/zinc/10/60/38/467106038.db2.gz DYUMLDTTXDCGPM-LSDHHAIUSA-N 1 0 334.420 2.296 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000451849206 467272595 /nfs/dbraw/zinc/27/25/95/467272595.db2.gz VWWNUGQTPHUBOT-JTQLQIEISA-N 1 0 327.356 2.201 20 5 EEBDRO CCOc1cc(C[N@H+](C)[C@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433156681 467299854 /nfs/dbraw/zinc/29/98/54/467299854.db2.gz KBMQCWULKLAKAJ-CQSZACIVSA-N 1 0 326.393 2.211 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCNc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281002 467313570 /nfs/dbraw/zinc/31/35/70/467313570.db2.gz AJQBAPBBQXHJCN-HNNXBMFYSA-N 1 0 327.388 2.809 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429345494 467328570 /nfs/dbraw/zinc/32/85/70/467328570.db2.gz PYSUWOXFTGQHTB-CHWSQXEVSA-N 1 0 334.420 2.250 20 5 EEBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420245300 467329450 /nfs/dbraw/zinc/32/94/50/467329450.db2.gz ZSAFCUMZFCDFLG-KGLIPLIRSA-N 1 0 327.388 2.464 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420318815 467353942 /nfs/dbraw/zinc/35/39/42/467353942.db2.gz OZJPXTQDBZVGGY-CQSZACIVSA-N 1 0 328.800 2.150 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434444572 467398636 /nfs/dbraw/zinc/39/86/36/467398636.db2.gz DHGLXQPBLOHRCN-HNNXBMFYSA-N 1 0 335.379 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405339452 467480996 /nfs/dbraw/zinc/48/09/96/467480996.db2.gz HDFMFDDEIOPOQB-RISCZKNCSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415119936 467493658 /nfs/dbraw/zinc/49/36/58/467493658.db2.gz FWHSTOBNKDHXSZ-CRAIPNDOSA-N 1 0 349.431 2.322 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000408074305 467505039 /nfs/dbraw/zinc/50/50/39/467505039.db2.gz VYRMGNOHXUNJJS-KBPBESRZSA-N 1 0 346.431 2.360 20 5 EEBDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449123424 467619592 /nfs/dbraw/zinc/61/95/92/467619592.db2.gz CLKWKMRJBXTQSN-JSGCOSHPSA-N 1 0 329.404 2.284 20 5 EEBDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449123423 467619721 /nfs/dbraw/zinc/61/97/21/467619721.db2.gz CLKWKMRJBXTQSN-GXTWGEPZSA-N 1 0 329.404 2.284 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000449530019 467658855 /nfs/dbraw/zinc/65/88/55/467658855.db2.gz BNSIRENDRRUNNB-SZWOSNRGSA-N 1 0 333.432 2.385 20 5 EEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449585546 467666806 /nfs/dbraw/zinc/66/68/06/467666806.db2.gz GHCQTECUSPRZSS-YUMQZZPRSA-N 1 0 335.282 2.001 20 5 EEBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449745214 467704394 /nfs/dbraw/zinc/70/43/94/467704394.db2.gz LWBUPYXYSNYDEC-PWSUYJOCSA-N 1 0 346.412 2.462 20 5 EEBDRO C[N@H+](CCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000457210374 467778320 /nfs/dbraw/zinc/77/83/20/467778320.db2.gz VLUSFFSPZMOSLQ-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000458158754 467779748 /nfs/dbraw/zinc/77/97/48/467779748.db2.gz DTQBRSYPRUJUHY-AWEZNQCLSA-N 1 0 344.415 2.398 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000458161538 467779958 /nfs/dbraw/zinc/77/99/58/467779958.db2.gz HHKUPVUKOLTXCC-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000450217618 467800700 /nfs/dbraw/zinc/80/07/00/467800700.db2.gz UTLIGZZFCIXLOF-CQSZACIVSA-N 1 0 331.376 2.417 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000493304071 467882436 /nfs/dbraw/zinc/88/24/36/467882436.db2.gz QLINFIUCEIFCMB-WUKHSURWSA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642132 467944765 /nfs/dbraw/zinc/94/47/65/467944765.db2.gz MPEKJWJCYIYEGM-GJZGRUSLSA-N 1 0 349.431 2.315 20 5 EEBDRO COCC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493868791 468000323 /nfs/dbraw/zinc/00/03/23/468000323.db2.gz AINHGFXJGXDUHB-LBPRGKRZSA-N 1 0 327.812 2.401 20 5 EEBDRO C[C@@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000516943395 468057864 /nfs/dbraw/zinc/05/78/64/468057864.db2.gz YJVDXFCBSYNLPM-ZJUUUORDSA-N 1 0 329.360 2.281 20 5 EEBDRO Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589687921 468177015 /nfs/dbraw/zinc/17/70/15/468177015.db2.gz QBSOBVFVFZNUGV-CQSZACIVSA-N 1 0 336.411 2.259 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2F)c1 ZINC000550085216 468206672 /nfs/dbraw/zinc/20/66/72/468206672.db2.gz IEHMSVUBTHCGKP-OAHLLOKOSA-N 1 0 334.347 2.306 20 5 EEBDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000567899482 468234374 /nfs/dbraw/zinc/23/43/74/468234374.db2.gz SECKEDICIZMPRR-KRWDZBQOSA-N 1 0 341.367 2.107 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594195755 468508923 /nfs/dbraw/zinc/50/89/23/468508923.db2.gz IUXGGXUNJMDRLG-LSDHHAIUSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594217082 468516093 /nfs/dbraw/zinc/51/60/93/468516093.db2.gz OWHSDBYPZWQSHB-IRXDYDNUSA-N 1 0 346.431 2.453 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCSC2)c1 ZINC000591767556 468518225 /nfs/dbraw/zinc/51/82/25/468518225.db2.gz ZUGPKBUXMRWDJR-OCCSQVGLSA-N 1 0 326.418 2.067 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594227252 468520169 /nfs/dbraw/zinc/52/01/69/468520169.db2.gz VGFLODBGQNWMBB-HZPDHXFCSA-N 1 0 332.404 2.411 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594227251 468520295 /nfs/dbraw/zinc/52/02/95/468520295.db2.gz VGFLODBGQNWMBB-HOTGVXAUSA-N 1 0 332.404 2.411 20 5 EEBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000582983852 468625515 /nfs/dbraw/zinc/62/55/15/468625515.db2.gz UIXJJXZVQCLVTN-OAHLLOKOSA-N 1 0 349.431 2.479 20 5 EEBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)n1 ZINC000592357213 468682644 /nfs/dbraw/zinc/68/26/44/468682644.db2.gz UYWXEWYQKFALMM-JTQLQIEISA-N 1 0 326.316 2.255 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854421 468694525 /nfs/dbraw/zinc/69/45/25/468694525.db2.gz HPLDUBHHNPUOIY-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597861447 468697202 /nfs/dbraw/zinc/69/72/02/468697202.db2.gz UKXGBHAYXZVRPY-NSHDSACASA-N 1 0 337.424 2.121 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000571117806 468741795 /nfs/dbraw/zinc/74/17/95/468741795.db2.gz UOVIZKKHFBDOQS-OAHLLOKOSA-N 1 0 334.420 2.340 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045068 468748394 /nfs/dbraw/zinc/74/83/94/468748394.db2.gz QUXPISABUFONJY-NSHDSACASA-N 1 0 330.406 2.079 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000595046579 468748461 /nfs/dbraw/zinc/74/84/61/468748461.db2.gz AVFXHQGGGHMHMW-VXGBXAGGSA-N 1 0 342.417 2.079 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000595054331 468749976 /nfs/dbraw/zinc/74/99/76/468749976.db2.gz ZYUNOEOKVCHURT-LLVKDONJSA-N 1 0 344.433 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595219920 468787055 /nfs/dbraw/zinc/78/70/55/468787055.db2.gz BVYFOZNZXWZORC-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595274107 468798424 /nfs/dbraw/zinc/79/84/24/468798424.db2.gz NNMUPDMWSNFQAB-MRVPVSSYSA-N 1 0 334.298 2.021 20 5 EEBDRO C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601310198 468821151 /nfs/dbraw/zinc/82/11/51/468821151.db2.gz NIHFIPXLSIHBGA-ZDUSSCGKSA-N 1 0 341.433 2.061 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388289 468835179 /nfs/dbraw/zinc/83/51/79/468835179.db2.gz FSWWVAFQCGNIPM-INMHGKMJSA-N 1 0 337.395 2.417 20 5 EEBDRO CC(C)O[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053754 468853725 /nfs/dbraw/zinc/85/37/25/468853725.db2.gz LPPLDVXIYYJFAS-CABCVRRESA-N 1 0 338.404 2.224 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000593190041 468900043 /nfs/dbraw/zinc/90/00/43/468900043.db2.gz CYSWEMCIBHFVNN-OUAUKWLOSA-N 1 0 339.367 2.296 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601562600 468919947 /nfs/dbraw/zinc/91/99/47/468919947.db2.gz GDANFRNIKWTDGR-IUCAKERBSA-N 1 0 330.266 2.192 20 5 EEBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595678114 468951516 /nfs/dbraw/zinc/95/15/16/468951516.db2.gz QXANLEITYIDAMK-DZGCQCFKSA-N 1 0 335.404 2.406 20 5 EEBDRO Cn1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718029 468972170 /nfs/dbraw/zinc/97/21/70/468972170.db2.gz IXDMODXSKCVYHV-CRAIPNDOSA-N 1 0 341.415 2.309 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716546 468972262 /nfs/dbraw/zinc/97/22/62/468972262.db2.gz MEDIPDJFZHROLV-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683675 469010196 /nfs/dbraw/zinc/01/01/96/469010196.db2.gz KKYPVJWOOJGCQD-ZCFIWIBFSA-N 1 0 336.211 2.033 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000585718540 469019760 /nfs/dbraw/zinc/01/97/60/469019760.db2.gz KQHKKKRWPGSQRA-INIZCTEOSA-N 1 0 349.431 2.160 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915156 469048344 /nfs/dbraw/zinc/04/83/44/469048344.db2.gz IXGNUWSHAYYTMD-UFBFGSQYSA-N 1 0 342.783 2.483 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000598941546 469058910 /nfs/dbraw/zinc/05/89/10/469058910.db2.gz XBTWNQIEETVVTE-LLVKDONJSA-N 1 0 329.360 2.093 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000598994549 469080820 /nfs/dbraw/zinc/08/08/20/469080820.db2.gz AMBFJMXODLPBPG-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000593667118 469084926 /nfs/dbraw/zinc/08/49/26/469084926.db2.gz UAIUEUQSMCNKJF-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO CC(C)C[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+](C)C ZINC000587100849 469085845 /nfs/dbraw/zinc/08/58/45/469085845.db2.gz DBXJEUDREJHPHC-GFCCVEGCSA-N 1 0 349.435 2.173 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCC1 ZINC000595967956 469101746 /nfs/dbraw/zinc/10/17/46/469101746.db2.gz ZKFQYJRODHVJIA-JTQLQIEISA-N 1 0 341.795 2.403 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)C1CC1 ZINC000593722550 469108356 /nfs/dbraw/zinc/10/83/56/469108356.db2.gz WROGFHWDZVNBGS-SJLPKXTDSA-N 1 0 334.416 2.437 20 5 EEBDRO C[N@@H+]1CCCN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610929222 469114623 /nfs/dbraw/zinc/11/46/23/469114623.db2.gz FQJVJUQHFHPGPP-UHFFFAOYSA-N 1 0 327.816 2.083 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(F)c1F ZINC000601968310 469118565 /nfs/dbraw/zinc/11/85/65/469118565.db2.gz KEXRJCCEIFMYJU-GFCCVEGCSA-N 1 0 338.310 2.403 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066366 469157637 /nfs/dbraw/zinc/15/76/37/469157637.db2.gz NJCPSYXAKNAEMN-HUUCEWRRSA-N 1 0 333.388 2.085 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000602113121 469195458 /nfs/dbraw/zinc/19/54/58/469195458.db2.gz ULWAJOCIGQQYMM-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1nn(C)c(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596467595 469277043 /nfs/dbraw/zinc/27/70/43/469277043.db2.gz UAFMKPOXFACUFN-MRXNPFEDSA-N 1 0 343.431 2.390 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602429750 469313126 /nfs/dbraw/zinc/31/31/26/469313126.db2.gz YEUMICSSVXGLMW-VIFPVBQESA-N 1 0 342.193 2.181 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602431517 469313547 /nfs/dbraw/zinc/31/35/47/469313547.db2.gz NXXIYFVGXQRKIJ-VIFPVBQESA-N 1 0 342.193 2.229 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c[nH]1 ZINC000599629470 469315609 /nfs/dbraw/zinc/31/56/09/469315609.db2.gz GLAURNJBYCDNHM-CJNGLKHVSA-N 1 0 333.319 2.454 20 5 EEBDRO CC(C)CC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602475950 469332231 /nfs/dbraw/zinc/33/22/31/469332231.db2.gz UKZXELZRPDXZHQ-INIZCTEOSA-N 1 0 334.420 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000602568799 469365160 /nfs/dbraw/zinc/36/51/60/469365160.db2.gz MYKDJSWVXYASMM-UHFFFAOYSA-N 1 0 346.408 2.257 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603424467 469391487 /nfs/dbraw/zinc/39/14/87/469391487.db2.gz XHXWQKCHMXBPJJ-MRXNPFEDSA-N 1 0 348.447 2.112 20 5 EEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc1OCc1ccccc1 ZINC000613179779 469649284 /nfs/dbraw/zinc/64/92/84/469649284.db2.gz AFZMJUDZNCRAKQ-HUUCEWRRSA-N 1 0 340.383 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483856 469931150 /nfs/dbraw/zinc/93/11/50/469931150.db2.gz LREYGAHJTZFROV-SFHVURJKSA-N 1 0 343.383 2.339 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000662609911 472174428 /nfs/dbraw/zinc/17/44/28/472174428.db2.gz RNEDDQBYVZSGSF-UHFFFAOYSA-N 1 0 337.423 2.350 20 5 EEBDRO C[C@@]1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]C1 ZINC000663008105 472326151 /nfs/dbraw/zinc/32/61/51/472326151.db2.gz JNAHHUBACRFRFV-HXUWFJFHSA-N 1 0 335.407 2.023 20 5 EEBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602570806 485643750 /nfs/dbraw/zinc/64/37/50/485643750.db2.gz UFAHYNSVXAYLFC-ZIAGYGMSSA-N 1 0 334.420 2.363 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129270018 534007063 /nfs/dbraw/zinc/00/70/63/534007063.db2.gz OYTJEHBYLAMTSA-FKJOKYEKSA-N 1 0 335.429 2.475 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000272321245 518182580 /nfs/dbraw/zinc/18/25/80/518182580.db2.gz TZQBBCMVCMKVNW-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO CC(C)(C)OC(=O)NCCCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000495997951 534882635 /nfs/dbraw/zinc/88/26/35/534882635.db2.gz KQGWXJSKJUSXOG-UHFFFAOYSA-N 1 0 338.408 2.275 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000423065571 536446454 /nfs/dbraw/zinc/44/64/54/536446454.db2.gz UVHPENKMPBUTPJ-UHFFFAOYSA-N 1 0 343.383 2.295 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000174659616 527977859 /nfs/dbraw/zinc/97/78/59/527977859.db2.gz SYCSDOUPGJAYSW-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CC[NH+](CC)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192909841 528114713 /nfs/dbraw/zinc/11/47/13/528114713.db2.gz BTJOERAMAGGTSW-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451771628 535542928 /nfs/dbraw/zinc/54/29/28/535542928.db2.gz IBECUJHGGJGJQW-KGLIPLIRSA-N 1 0 349.387 2.163 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733167510 577206305 /nfs/dbraw/zinc/20/63/05/577206305.db2.gz OHBMARAZDUFBMS-INIZCTEOSA-N 1 0 345.403 2.097 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774634316 577407939 /nfs/dbraw/zinc/40/79/39/577407939.db2.gz DLRVXNQJQLZYDT-NSHDSACASA-N 1 0 337.811 2.439 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276587 577456463 /nfs/dbraw/zinc/45/64/63/577456463.db2.gz OBCFFBIFADQTRT-KRWDZBQOSA-N 1 0 343.383 2.120 20 5 EEBDRO COCCCOC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585002 577463358 /nfs/dbraw/zinc/46/33/58/577463358.db2.gz QUMOXIPROKDNIS-KRWDZBQOSA-N 1 0 338.404 2.146 20 5 EEBDRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588803 577463534 /nfs/dbraw/zinc/46/35/34/577463534.db2.gz BXKXWXWMFRUWIR-MZNJEOGPSA-N 1 0 348.424 2.498 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765015705 577492812 /nfs/dbraw/zinc/49/28/12/577492812.db2.gz UJJCRGABGZTCGK-CYBMUJFWSA-N 1 0 346.387 2.295 20 5 EEBDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000754536707 577808156 /nfs/dbraw/zinc/80/81/56/577808156.db2.gz CWQOOLJARDTFKD-OAHLLOKOSA-N 1 0 349.387 2.163 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000756950050 577853671 /nfs/dbraw/zinc/85/36/71/577853671.db2.gz AOQIKWNKOHLGMR-LLVKDONJSA-N 1 0 338.795 2.284 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000743399086 577884711 /nfs/dbraw/zinc/88/47/11/577884711.db2.gz PGKFGOJNLLJLGV-CQSZACIVSA-N 1 0 344.419 2.084 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000746667131 577931971 /nfs/dbraw/zinc/93/19/71/577931971.db2.gz VRCXXYHDSAPAJQ-JKSUJKDBSA-N 1 0 339.823 2.279 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749691719 577980081 /nfs/dbraw/zinc/98/00/81/577980081.db2.gz RGDAIANPSAXCIW-MRXNPFEDSA-N 1 0 331.328 2.369 20 5 EEBDRO O=C(Cc1cscn1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020687389 675409155 /nfs/dbraw/zinc/40/91/55/675409155.db2.gz ASLSFDVJZPXKDL-JOCQHMNTSA-N 1 0 346.412 2.031 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000175793440 675648854 /nfs/dbraw/zinc/64/88/54/675648854.db2.gz ZCPHHDBMVWELBJ-SNVBAGLBSA-N 1 0 338.364 2.209 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891410929 676573294 /nfs/dbraw/zinc/57/32/94/676573294.db2.gz WWUDRHTYWKUMRK-GOSISDBHSA-N 1 0 346.431 2.313 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891722271 676802440 /nfs/dbraw/zinc/80/24/40/676802440.db2.gz APNXCQHIAXLLQZ-GOSISDBHSA-N 1 0 346.431 2.313 20 5 EEBDRO CCC1(NC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000934040777 677766344 /nfs/dbraw/zinc/76/63/44/677766344.db2.gz OOJZTORAELHLCE-UHFFFAOYSA-N 1 0 347.419 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cn4ccnc4s3)C2)nc1 ZINC000892078087 677977434 /nfs/dbraw/zinc/97/74/34/677977434.db2.gz GMHHRAGPHHFFBV-LLVKDONJSA-N 1 0 344.400 2.385 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC001022883469 678714619 /nfs/dbraw/zinc/71/46/19/678714619.db2.gz KDHAMICWGLADKW-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892541872 681688752 /nfs/dbraw/zinc/68/87/52/681688752.db2.gz IILKQXARUZDVQK-UHFFFAOYSA-N 1 0 348.378 2.175 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CCCC1 ZINC001025646214 683206617 /nfs/dbraw/zinc/20/66/17/683206617.db2.gz JBABFCLUEKPTEA-FVQHAEBGSA-N 1 0 329.400 2.331 20 5 EEBDRO CC(C)c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778333 683268586 /nfs/dbraw/zinc/26/85/86/683268586.db2.gz SJUZVHRCTBGFSI-SFFUCWETSA-N 1 0 343.427 2.022 20 5 EEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119656687 683571552 /nfs/dbraw/zinc/57/15/52/683571552.db2.gz YRQBLDAQKGVUSD-UHFFFAOYSA-N 1 0 347.462 2.199 20 5 EEBDRO CCC(=O)N1CCOC2(CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000948995766 683923032 /nfs/dbraw/zinc/92/30/32/683923032.db2.gz OJRBTBABFLERSH-UHFFFAOYSA-N 1 0 347.415 2.198 20 5 EEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985287598 686229265 /nfs/dbraw/zinc/22/92/65/686229265.db2.gz RHTIXAMTBCHFSB-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1(C[NH3+])CCOCC1 ZINC000903808258 694252319 /nfs/dbraw/zinc/25/23/19/694252319.db2.gz FHOSOIQCVYTTPX-UHFFFAOYSA-N 1 0 337.420 2.322 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000897457037 690561556 /nfs/dbraw/zinc/56/15/56/690561556.db2.gz QGRDLLXTRJOHKI-CQSZACIVSA-N 1 0 334.420 2.121 20 5 EEBDRO O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)C12CCC[NH+]1CCC2 ZINC001059881725 690605548 /nfs/dbraw/zinc/60/55/48/690605548.db2.gz MHNZVVAGLLVJQH-GASCZTMLSA-N 1 0 344.415 2.282 20 5 EEBDRO O=C(C1CCOCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989841093 692376173 /nfs/dbraw/zinc/37/61/73/692376173.db2.gz UHURRHMLWSWGOA-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCc3ccccc32)c1 ZINC000905577080 1189792825 /nfs/dbraw/zinc/79/28/25/1189792825.db2.gz UXUUZWRZWBNYJR-GOSISDBHSA-N 1 0 327.384 2.281 20 5 EEBDRO COCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001128837360 1195804321 /nfs/dbraw/zinc/80/43/21/1195804321.db2.gz GWPKDTUKANWSSS-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794749777 1197929297 /nfs/dbraw/zinc/92/92/97/1197929297.db2.gz BEKGMNSRQANRDE-LJQANCHMSA-N 1 0 341.411 2.444 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(F)(F)F ZINC000872149560 1198058264 /nfs/dbraw/zinc/05/82/64/1198058264.db2.gz OQPBVUYFEBILGH-PSASIEDQSA-N 1 0 344.293 2.305 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000873842810 1198717232 /nfs/dbraw/zinc/71/72/32/1198717232.db2.gz HUJABKHTNJFKJP-HNNXBMFYSA-N 1 0 349.431 2.298 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000810315571 1199448592 /nfs/dbraw/zinc/44/85/92/1199448592.db2.gz BVAGSSSEVOTAQF-HUUCEWRRSA-N 1 0 348.403 2.142 20 5 EEBDRO COc1ccc(CC(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810846796 1199776060 /nfs/dbraw/zinc/77/60/60/1199776060.db2.gz KAVAIZFVAYQAEA-KGLIPLIRSA-N 1 0 334.372 2.316 20 5 EEBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[N@@H+]1C ZINC000878722125 1200639600 /nfs/dbraw/zinc/63/96/00/1200639600.db2.gz AJVYYVCALIQVPI-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866241695 1201474179 /nfs/dbraw/zinc/47/41/79/1201474179.db2.gz FVEUMCUULOTLAZ-LLVKDONJSA-N 1 0 339.367 2.485 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)COCC1CC1 ZINC000866252317 1201476395 /nfs/dbraw/zinc/47/63/95/1201476395.db2.gz WXDPUKMKIXAOFI-IAQYHMDHSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000866261701 1201479335 /nfs/dbraw/zinc/47/93/35/1201479335.db2.gz YUHSSYLBDWWTTA-RDBSUJKOSA-N 1 0 339.411 2.364 20 5 EEBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000866268923 1201480954 /nfs/dbraw/zinc/48/09/54/1201480954.db2.gz LAMICQIRXGLXIL-KBPBESRZSA-N 1 0 339.411 2.223 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140956 1202476912 /nfs/dbraw/zinc/47/69/12/1202476912.db2.gz SWOHRHJOQGRRGU-GOEBONIOSA-N 1 0 336.436 2.216 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095625546 1205895527 /nfs/dbraw/zinc/89/55/27/1205895527.db2.gz VQHWDFWKABVNPB-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927699304 1206292596 /nfs/dbraw/zinc/29/25/96/1206292596.db2.gz QHPPQZBYZIQYRB-UHFFFAOYSA-N 1 0 344.371 2.385 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931040957 1206602140 /nfs/dbraw/zinc/60/21/40/1206602140.db2.gz ATLGOPGNANFJHH-CZUORRHYSA-N 1 0 334.420 2.256 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccs1 ZINC000195129684 1211321782 /nfs/dbraw/zinc/32/17/82/1211321782.db2.gz SPYUFJJZGOMBJE-CYBMUJFWSA-N 1 0 334.401 2.271 20 5 EEBDRO Cc1ncoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020054465 1229462044 /nfs/dbraw/zinc/46/20/44/1229462044.db2.gz PSTBPXSHJYWLLD-XYPYZODXSA-N 1 0 336.373 2.003 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)co1 ZINC001020100119 1229483650 /nfs/dbraw/zinc/48/36/50/1229483650.db2.gz NBMNGYWOIGYBHH-XYPYZODXSA-N 1 0 336.373 2.003 20 5 EEBDRO CC1(NC(=O)c2ccn[nH]2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045370786 1233700045 /nfs/dbraw/zinc/70/00/45/1233700045.db2.gz SGGTVHXAIQKYAO-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCc2ccccc2F)CC1 ZINC001045437307 1233744864 /nfs/dbraw/zinc/74/48/64/1233744864.db2.gz MTIYGVPFMONDBM-GDBMZVCRSA-N 1 0 349.406 2.004 20 5 EEBDRO O=C(NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]c1 ZINC001000717849 1240787860 /nfs/dbraw/zinc/78/78/60/1240787860.db2.gz RLMCKCWXYSBBCQ-UHFFFAOYSA-N 1 0 340.383 2.485 20 5 EEBDRO Cc1ccc(NC2CCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001057335153 1243340730 /nfs/dbraw/zinc/34/07/30/1243340730.db2.gz WABCRSWWHLPUDL-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326355 1243351899 /nfs/dbraw/zinc/35/18/99/1243351899.db2.gz YUQCAMNPTHDDCN-MWQQHZPXSA-N 1 0 349.406 2.256 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001097260475 1243886977 /nfs/dbraw/zinc/88/69/77/1243886977.db2.gz BOGNJCLKKDXUCB-GASCZTMLSA-N 1 0 346.431 2.447 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000827495944 1248225772 /nfs/dbraw/zinc/22/57/72/1248225772.db2.gz ATLMGARCBPZIBC-GJZGRUSLSA-N 1 0 328.372 2.418 20 5 EEBDRO O=C(C1CCC1)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072388890 1255120869 /nfs/dbraw/zinc/12/08/69/1255120869.db2.gz GQVYUHJIFZWOEO-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO O=C(N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2)C1(CF)CC1 ZINC001072969827 1255530988 /nfs/dbraw/zinc/53/09/88/1255530988.db2.gz QHMWWVUSKVYBBH-UHFFFAOYSA-N 1 0 347.390 2.379 20 5 EEBDRO CC1(C)OC[C@H](CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851714628 1277726833 /nfs/dbraw/zinc/72/68/33/1277726833.db2.gz IMZQDMULVRFVSR-INIZCTEOSA-N 1 0 335.404 2.258 20 5 EEBDRO CC1(C)OC[C@H](CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000851729388 1277732098 /nfs/dbraw/zinc/73/20/98/1277732098.db2.gz MLIWTVRCRSSWTH-INIZCTEOSA-N 1 0 335.404 2.258 20 5 EEBDRO COCC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001201619784 1289701733 /nfs/dbraw/zinc/70/17/33/1289701733.db2.gz UGAVNLNFGLZLAU-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000853232074 1292334597 /nfs/dbraw/zinc/33/45/97/1292334597.db2.gz RAPPSMGURMLRFD-LBPRGKRZSA-N 1 0 330.388 2.136 20 5 EEBDRO COCC[N@H+](CC(C)C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853489488 1292396485 /nfs/dbraw/zinc/39/64/85/1292396485.db2.gz PWQGFJULMXXYJK-UHFFFAOYSA-N 1 0 333.392 2.415 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000854738533 1292935082 /nfs/dbraw/zinc/93/50/82/1292935082.db2.gz MRQBWICNTMWIGG-QGZVFWFLSA-N 1 0 332.404 2.043 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000113437961 1293253328 /nfs/dbraw/zinc/25/33/28/1293253328.db2.gz NPFNFFBKQGFTSO-ZDUSSCGKSA-N 1 0 334.420 2.480 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858588168 1294160902 /nfs/dbraw/zinc/16/09/02/1294160902.db2.gz WPCYFUQXZLLPDJ-WDEREUQCSA-N 1 0 325.365 2.052 20 5 EEBDRO CC[N@H+](CC1CCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000794683730 1296525450 /nfs/dbraw/zinc/52/54/50/1296525450.db2.gz QWACLQJUJZCOPK-UHFFFAOYSA-N 1 0 346.387 2.443 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217977317 1297540239 /nfs/dbraw/zinc/54/02/39/1297540239.db2.gz AGKVZMDUFZZLJT-FZMZJTMJSA-N 1 0 326.324 2.159 20 5 EEBDRO Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4C[NH2+][C@H](C)C4)c3nc2cc1C ZINC001218046176 1297556780 /nfs/dbraw/zinc/55/67/80/1297556780.db2.gz MNYCXRODJPTSPZ-MNOVXSKESA-N 1 0 325.372 2.025 20 5 EEBDRO CCOCCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222604372 1299718699 /nfs/dbraw/zinc/71/86/99/1299718699.db2.gz AAGNDZKFTHOALS-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225746314 1301143973 /nfs/dbraw/zinc/14/39/73/1301143973.db2.gz GSQVUMBVMYUBTC-LLVKDONJSA-N 1 0 328.166 2.225 20 5 EEBDRO CCCCOCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226689713 1301510401 /nfs/dbraw/zinc/51/04/01/1301510401.db2.gz FNFZXXBRDNXGSR-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC001231231914 1303693904 /nfs/dbraw/zinc/69/39/04/1303693904.db2.gz YKLJATJFJTVYND-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO CC1(C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000781961847 1303911086 /nfs/dbraw/zinc/91/10/86/1303911086.db2.gz YBQHRZAZBBZLLK-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCN4CCOC[C@@H]4C3)nc12 ZINC001232218571 1304041206 /nfs/dbraw/zinc/04/12/06/1304041206.db2.gz IPDQDBQSYYHOFN-SFHVURJKSA-N 1 0 334.423 2.299 20 5 EEBDRO CN1[C@@H]2C[C@H](Oc3c4cccnc4ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233780016 1304589646 /nfs/dbraw/zinc/58/96/46/1304589646.db2.gz WSEFGQRMDMODAM-JQAFLVLXSA-N 1 0 327.340 2.326 20 5 EEBDRO CSCC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120577076 1309621537 /nfs/dbraw/zinc/62/15/37/1309621537.db2.gz VYXIAOBXJGBEDP-UHFFFAOYSA-N 1 0 349.456 2.475 20 5 EEBDRO N[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1F ZINC001246582126 1310349398 /nfs/dbraw/zinc/34/93/98/1310349398.db2.gz FXFCYIXHRLNEAB-DLBZAZTESA-N 1 0 336.411 2.325 20 5 EEBDRO COc1cc2ncnc(N[C@@]3(C)CCC[N@H+](C)C3)c2cc1[N+](=O)[O-] ZINC001162336968 1320828090 /nfs/dbraw/zinc/82/80/90/1320828090.db2.gz JDUVLUNNFGVGTO-INIZCTEOSA-N 1 0 331.376 2.443 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857368 1315625176 /nfs/dbraw/zinc/62/51/76/1315625176.db2.gz XDYSJTDYZADRCE-SNVBAGLBSA-N 1 0 326.784 2.129 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCCC[NH3+])cc1C ZINC000842922150 1315798939 /nfs/dbraw/zinc/79/89/39/1315798939.db2.gz OETDVYZHWXMNFT-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000843502550 1315925137 /nfs/dbraw/zinc/92/51/37/1315925137.db2.gz DVZFSQOZJVWGLE-GFCCVEGCSA-N 1 0 348.359 2.216 20 5 EEBDRO O=C(Cc1ccc(F)cc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149610284 1315998381 /nfs/dbraw/zinc/99/83/81/1315998381.db2.gz MAMVYXIITNGTFF-UHFFFAOYSA-N 1 0 331.347 2.182 20 5 EEBDRO N[C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CCC[NH2+]C1 ZINC001249229578 1317029885 /nfs/dbraw/zinc/02/98/85/1317029885.db2.gz YKBMGJASDICCKM-LJQANCHMSA-N 1 0 346.394 2.370 20 5 EEBDRO O=C(CCc1ccco1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154544763 1317195409 /nfs/dbraw/zinc/19/54/09/1317195409.db2.gz KCPZYATUOKGTEA-UHFFFAOYSA-N 1 0 331.372 2.417 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001154672510 1317258596 /nfs/dbraw/zinc/25/85/96/1317258596.db2.gz HXTIWKHYVPSWTE-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001155305806 1317545486 /nfs/dbraw/zinc/54/54/86/1317545486.db2.gz FMLHOGGQQUVVBM-GFCCVEGCSA-N 1 0 342.355 2.188 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001155624062 1317679138 /nfs/dbraw/zinc/67/91/38/1317679138.db2.gz VDUDFTKKUJSHRU-PXAZEXFGSA-N 1 0 328.372 2.466 20 5 EEBDRO CCc1ocnc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156035080 1317841831 /nfs/dbraw/zinc/84/18/31/1317841831.db2.gz KNJYYGBTRZGHIX-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001156471637 1318027344 /nfs/dbraw/zinc/02/73/44/1318027344.db2.gz DQYSPXRLQCGXDB-UHFFFAOYSA-N 1 0 338.364 2.100 20 5 EEBDRO CN(C)/C=C/c1cc(NCc2ccccc2C(N)=O)ncc1[N+](=O)[O-] ZINC001156474292 1318030089 /nfs/dbraw/zinc/03/00/89/1318030089.db2.gz ZZRYRDIFDQJSHI-BQYQJAHWSA-N 1 0 341.371 2.233 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001254570963 1318126657 /nfs/dbraw/zinc/12/66/57/1318126657.db2.gz QVWWEBWNXPXDAI-NUEKZKHPSA-N 1 0 331.416 2.469 20 5 EEBDRO CC(C)(CC(=O)N1CCCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580302 1318128763 /nfs/dbraw/zinc/12/87/63/1318128763.db2.gz DOUJYEQZPVJACM-HNNXBMFYSA-N 1 0 331.416 2.443 20 5 EEBDRO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580516 1318129600 /nfs/dbraw/zinc/12/96/00/1318129600.db2.gz GDKUEZHQXQWFSJ-OAHLLOKOSA-N 1 0 346.408 2.255 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581989 1318131584 /nfs/dbraw/zinc/13/15/84/1318131584.db2.gz RKJOKWJVJRYHQI-HOTGVXAUSA-N 1 0 325.368 2.288 20 5 EEBDRO CCN1CC[C@@]2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254599021 1318138428 /nfs/dbraw/zinc/13/84/28/1318138428.db2.gz ZMJKVONPZPXELK-PKOBYXMFSA-N 1 0 343.427 2.396 20 5 EEBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001254606091 1318142091 /nfs/dbraw/zinc/14/20/91/1318142091.db2.gz DNYSXGACPPKHGL-KBRIMQKVSA-N 1 0 329.400 2.005 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001254852416 1318204967 /nfs/dbraw/zinc/20/49/67/1318204967.db2.gz YXZAPJKWMJCTQX-CYBMUJFWSA-N 1 0 345.315 2.362 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157022078 1318349848 /nfs/dbraw/zinc/34/98/48/1318349848.db2.gz UAHNKJJGKBBTKN-GFCCVEGCSA-N 1 0 336.392 2.085 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001157208113 1318488640 /nfs/dbraw/zinc/48/86/40/1318488640.db2.gz BDWCYQVILUJXCY-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256083657 1318642409 /nfs/dbraw/zinc/64/24/09/1318642409.db2.gz VAPMEMBCLYGKET-ZFWWWQNUSA-N 1 0 335.404 2.075 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157916270 1318928917 /nfs/dbraw/zinc/92/89/17/1318928917.db2.gz QNIIMDYYHCHRPT-UHFFFAOYSA-N 1 0 348.794 2.390 20 5 EEBDRO Cc1ncn(-c2nccc(Cl)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157962096 1318949196 /nfs/dbraw/zinc/94/91/96/1318949196.db2.gz UPWFVSCWXJWLQN-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)cc2C1 ZINC001157987864 1318960759 /nfs/dbraw/zinc/96/07/59/1318960759.db2.gz RVWCLEPRVMSAQZ-SECBINFHSA-N 1 0 344.762 2.193 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001158494931 1319270554 /nfs/dbraw/zinc/27/05/54/1319270554.db2.gz DWDOFSHOLWNZSQ-LBPRGKRZSA-N 1 0 336.392 2.085 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158679734 1319374020 /nfs/dbraw/zinc/37/40/20/1319374020.db2.gz XBDBPPDGWYBERQ-LBPRGKRZSA-N 1 0 331.829 2.325 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1CCc2ccccc21 ZINC001158920150 1319507630 /nfs/dbraw/zinc/50/76/30/1319507630.db2.gz JDHOBDSHRMFYBB-CQSZACIVSA-N 1 0 325.372 2.195 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159019962 1319560265 /nfs/dbraw/zinc/56/02/65/1319560265.db2.gz LDGAGLXLYKJUJZ-UHFFFAOYSA-N 1 0 339.399 2.213 20 5 EEBDRO CC(C)Oc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161471432 1320510515 /nfs/dbraw/zinc/51/05/15/1320510515.db2.gz BJLOHYAVHDLZRS-CQSZACIVSA-N 1 0 349.435 2.015 20 5 EEBDRO COc1cnc(NCC2(c3cccnc3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001162037559 1320729222 /nfs/dbraw/zinc/72/92/22/1320729222.db2.gz ZUDKMYMOCHRCND-UHFFFAOYSA-N 1 0 343.387 2.127 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001162740900 1320946153 /nfs/dbraw/zinc/94/61/53/1320946153.db2.gz YZBDBBCRNIWMFO-HNNXBMFYSA-N 1 0 335.367 2.428 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162777634 1320955299 /nfs/dbraw/zinc/95/52/99/1320955299.db2.gz DKTWIQWABJTSCX-SECBINFHSA-N 1 0 341.327 2.135 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)c2c1 ZINC001162791901 1320959728 /nfs/dbraw/zinc/95/97/28/1320959728.db2.gz FBZUKAZATFAGQC-XTWCZFFVSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nn1 ZINC001162808999 1320964438 /nfs/dbraw/zinc/96/44/38/1320964438.db2.gz UOCKMBKKYRCKSV-AAEUAGOBSA-N 1 0 331.351 2.411 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC001163058804 1321025952 /nfs/dbraw/zinc/02/59/52/1321025952.db2.gz SFCRLAMVCFFFEY-LBPRGKRZSA-N 1 0 339.355 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)c2ccncc21 ZINC001163088190 1321031942 /nfs/dbraw/zinc/03/19/42/1321031942.db2.gz AYNPXXCPFRWGOC-LBPRGKRZSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001163159387 1321054294 /nfs/dbraw/zinc/05/42/94/1321054294.db2.gz IJTFIZYPHPEBJY-XPKDYRNWSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc2cnccc21 ZINC001163176892 1321059739 /nfs/dbraw/zinc/05/97/39/1321059739.db2.gz ZUUVHRUTCBUFEV-IOASZLSFSA-N 1 0 328.372 2.179 20 5 EEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163321250 1321096996 /nfs/dbraw/zinc/09/69/96/1321096996.db2.gz CADQKRKINYONBZ-SJKOYZFVSA-N 1 0 349.387 2.095 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163321863 1321097182 /nfs/dbraw/zinc/09/71/82/1321097182.db2.gz DZOJKPNXEBXKHG-NOZJJQNGSA-N 1 0 346.309 2.332 20 5 EEBDRO O=[N+]([O-])c1cccc2cnc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nc21 ZINC001163644953 1321179441 /nfs/dbraw/zinc/17/94/41/1321179441.db2.gz OPPQJSVSBPRIEU-WMLDXEAASA-N 1 0 343.387 2.251 20 5 EEBDRO COc1cc2ncnc(N3CCC[C@H]3C[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001165073184 1321450265 /nfs/dbraw/zinc/45/02/65/1321450265.db2.gz SFJDPVQEJKJQQL-NSHDSACASA-N 1 0 331.376 2.077 20 5 EEBDRO COC(=O)c1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165324707 1321500636 /nfs/dbraw/zinc/50/06/36/1321500636.db2.gz RTJNQXGFLCWXDS-AWEZNQCLSA-N 1 0 348.403 2.135 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2CF)CC1 ZINC001165428507 1321524098 /nfs/dbraw/zinc/52/40/98/1321524098.db2.gz DITLSEZIADSQOQ-ZYHUDNBSSA-N 1 0 331.351 2.051 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2cccnc2)nc1C1C[NH2+]C1 ZINC001166576720 1321743265 /nfs/dbraw/zinc/74/32/65/1321743265.db2.gz NXWSTWIMFWLRJO-AWEZNQCLSA-N 1 0 340.387 2.198 20 5 EEBDRO Cc1cc(Cl)nc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c1[N+](=O)[O-] ZINC001166700594 1321769214 /nfs/dbraw/zinc/76/92/14/1321769214.db2.gz KKHJWJFTYSXJQF-VIFPVBQESA-N 1 0 334.767 2.041 20 5 EEBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC001263201571 1322443035 /nfs/dbraw/zinc/44/30/35/1322443035.db2.gz IDTAILHYRSUZGJ-IHRRRGAJSA-N 1 0 346.431 2.406 20 5 EEBDRO O=[N+]([O-])c1c(N2CC([NH2+][C@H]3CCOC3)C2)cccc1C(F)(F)F ZINC001307217815 1331518331 /nfs/dbraw/zinc/51/83/31/1331518331.db2.gz UHKGBNCWBRJCOH-VIFPVBQESA-N 1 0 331.294 2.181 20 5 EEBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307229370 1331520089 /nfs/dbraw/zinc/52/00/89/1331520089.db2.gz AAHKPMSCOKIQSX-WMLDXEAASA-N 1 0 346.431 2.393 20 5 EEBDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001308329758 1331584145 /nfs/dbraw/zinc/58/41/45/1331584145.db2.gz BAUQMBLFNDCBLC-UHFFFAOYSA-N 1 0 334.397 2.429 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001318413645 1332529005 /nfs/dbraw/zinc/52/90/05/1332529005.db2.gz NETSRQNTAKOVIZ-HIFRSBDPSA-N 1 0 339.367 2.102 20 5 EEBDRO O=C(NC[C@H]1CCCCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001336994351 1336627381 /nfs/dbraw/zinc/62/73/81/1336627381.db2.gz ZSSYILSWCRBNEA-OAHLLOKOSA-N 1 0 332.404 2.195 20 5 EEBDRO Cc1c(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C)cccc1[N+](=O)[O-] ZINC001338152442 1336803674 /nfs/dbraw/zinc/80/36/74/1336803674.db2.gz GZJPWTZPNSVEBA-UHFFFAOYSA-N 1 0 344.419 2.229 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001345084316 1337424366 /nfs/dbraw/zinc/42/43/66/1337424366.db2.gz KRBHEBBCQFEKPI-INIZCTEOSA-N 1 0 334.376 2.163 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352533 1338690942 /nfs/dbraw/zinc/69/09/42/1338690942.db2.gz QIYWJVDFORJHDO-KGLIPLIRSA-N 1 0 336.367 2.063 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000848583943 1338725307 /nfs/dbraw/zinc/72/53/07/1338725307.db2.gz JOQBTRFYWSINBH-GHMZBOCLSA-N 1 0 343.330 2.165 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001576080014 1343963373 /nfs/dbraw/zinc/96/33/73/1343963373.db2.gz ATGGMSCFGWFTJJ-KRWDZBQOSA-N 1 0 349.337 2.406 20 5 EEBDRO CCCN(CCC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001577519630 1344158028 /nfs/dbraw/zinc/15/80/28/1344158028.db2.gz QHSORDCMEMLHQB-UHFFFAOYSA-N 1 0 332.408 2.438 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1F ZINC001579642387 1344402311 /nfs/dbraw/zinc/40/23/11/1344402311.db2.gz CUVOSZSEQBLLRF-UHFFFAOYSA-N 1 0 339.342 2.397 20 5 EEBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001580163253 1344482716 /nfs/dbraw/zinc/48/27/16/1344482716.db2.gz MJOWFGUNOHEETE-GJZGRUSLSA-N 1 0 330.388 2.169 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589134371 1348963159 /nfs/dbraw/zinc/96/31/59/1348963159.db2.gz CDRRMYYKRGRJQQ-SNVBAGLBSA-N 1 0 331.380 2.060 20 5 EEBDRO CC[C@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001604500013 1350949827 /nfs/dbraw/zinc/94/98/27/1350949827.db2.gz STZZORAFJVWGJK-HNNXBMFYSA-N 1 0 339.359 2.411 20 5 EEBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091501 1371273727 /nfs/dbraw/zinc/27/37/27/1371273727.db2.gz JVFVLWFLNQALDD-WMLDXEAASA-N 1 0 332.356 2.172 20 5 EEBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000782500796 1371303762 /nfs/dbraw/zinc/30/37/62/1371303762.db2.gz NUTHXMWXZTVALZ-UHFFFAOYSA-N 1 0 349.366 2.411 20 5 EEBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001116399026 1371724935 /nfs/dbraw/zinc/72/49/35/1371724935.db2.gz SFAFZOSPJKJLDH-HNNXBMFYSA-N 1 0 329.404 2.381 20 5 EEBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001118088174 1371776280 /nfs/dbraw/zinc/77/62/80/1371776280.db2.gz ILUCLLLZVUBJJA-DZGCQCFKSA-N 1 0 334.420 2.386 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000831534221 1372378582 /nfs/dbraw/zinc/37/85/82/1372378582.db2.gz NPLOVGMVVIBURT-WMZOPIPTSA-N 1 0 333.432 2.231 20 5 EEBDRO C[N@H+](CCNC(=O)/C=C\c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753047609 1406635237 /nfs/dbraw/zinc/63/52/37/1406635237.db2.gz NPFURCZJELAYSH-TWGQIWQCSA-N 1 0 328.372 2.184 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(CC[NH3+])cc1 ZINC001578480278 1403760698 /nfs/dbraw/zinc/76/06/98/1403760698.db2.gz DLGSZIQCHAGKAZ-UHFFFAOYSA-N 1 0 327.384 2.411 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001580268771 1403855707 /nfs/dbraw/zinc/85/57/07/1403855707.db2.gz MXTBKZBJSDSBGF-LDYMZIIASA-N 1 0 332.282 2.196 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100546485 1410668473 /nfs/dbraw/zinc/66/84/73/1410668473.db2.gz ZRDVXLYJTJQVRT-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)nc21 ZINC001167207991 757501112 /nfs/dbraw/zinc/50/11/12/757501112.db2.gz JRUFPSALLYZRGN-KUHUBIRLSA-N 1 0 349.394 2.449 20 5 EEBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167626391 760765935 /nfs/dbraw/zinc/76/59/35/760765935.db2.gz JFNUBMIANAOWGX-UHFFFAOYSA-N 1 0 332.404 2.323 20 5 EEBDRO C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001091379390 790509229 /nfs/dbraw/zinc/50/92/29/790509229.db2.gz LIBRBFSIOBZKKB-OKILXGFUSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846742281 790527430 /nfs/dbraw/zinc/52/74/30/790527430.db2.gz HSDGVXVDNZPSMB-PSASIEDQSA-N 1 0 329.759 2.268 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000178566460 779409880 /nfs/dbraw/zinc/40/98/80/779409880.db2.gz ORZOBDYEILVEHI-ZDUSSCGKSA-N 1 0 332.404 2.006 20 5 EEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000894046785 780459424 /nfs/dbraw/zinc/45/94/24/780459424.db2.gz QQXSICAUJVPCBE-AWEZNQCLSA-N 1 0 335.404 2.416 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000894061156 780480821 /nfs/dbraw/zinc/48/08/21/780480821.db2.gz FJJNOIDSCIWANN-ZDUSSCGKSA-N 1 0 346.387 2.422 20 5 EEBDRO Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c1 ZINC001035704367 784984483 /nfs/dbraw/zinc/98/44/83/784984483.db2.gz LAVCCJHEXHYCIW-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819311165 785490145 /nfs/dbraw/zinc/49/01/45/785490145.db2.gz LICWEZZEGNDIHJ-BXKMTCNYSA-N 1 0 348.424 2.297 20 5 EEBDRO Cc1c[nH]nc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996384408 786339725 /nfs/dbraw/zinc/33/97/25/786339725.db2.gz ZGHALJUDNGNPOX-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107322205 786861946 /nfs/dbraw/zinc/86/19/46/786861946.db2.gz PQSVBFOEHFOYBU-SNAWJCMRSA-N 1 0 338.383 2.160 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000822662976 787320498 /nfs/dbraw/zinc/32/04/98/787320498.db2.gz JLNGUGQANOOEPI-LLVKDONJSA-N 1 0 339.367 2.347 20 5 EEBDRO O=C(NC/C=C/CNc1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001107592403 787799920 /nfs/dbraw/zinc/79/99/20/787799920.db2.gz DILPUHRVEPZJGD-ONEGZZNKSA-N 1 0 344.415 2.308 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379645 788600814 /nfs/dbraw/zinc/60/08/14/788600814.db2.gz REHBZZNNXBOPNO-CZUORRHYSA-N 1 0 337.420 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844335023 789008574 /nfs/dbraw/zinc/00/85/74/789008574.db2.gz OLVHZQQQXOCSFM-UHFFFAOYSA-N 1 0 337.395 2.060 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000844642520 789287140 /nfs/dbraw/zinc/28/71/40/789287140.db2.gz JIMKULUPNMMKCA-IVZWLZJFSA-N 1 0 327.331 2.426 20 5 EEBDRO [NH3+][C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000923377868 789460723 /nfs/dbraw/zinc/46/07/23/789460723.db2.gz QUFQPOFEJJHZLW-JQHSSLGASA-N 1 0 345.374 2.194 20 5 EEBDRO Cc1nc[nH]c1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997433541 789903449 /nfs/dbraw/zinc/90/34/49/789903449.db2.gz AMQITWNUXHVEAS-UHFFFAOYSA-N 1 0 349.416 2.082 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000845668914 789915186 /nfs/dbraw/zinc/91/51/86/789915186.db2.gz QBJLYFCGXPEURW-ZDUSSCGKSA-N 1 0 344.371 2.422 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC001112108658 789931510 /nfs/dbraw/zinc/93/15/10/789931510.db2.gz KQVNGQUSQJOKDH-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc(C3CC[NH2+]CC3)no2)ccc1-n1ccnc1 ZINC000843137655 795777688 /nfs/dbraw/zinc/77/76/88/795777688.db2.gz DDNLUNRUVLCRQP-UHFFFAOYSA-N 1 0 340.343 2.298 20 5 EEBDRO Cc1ccnc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)c1[N+](=O)[O-] ZINC000952880342 796063478 /nfs/dbraw/zinc/06/34/78/796063478.db2.gz AJTXQLMFPQRHEC-UHFFFAOYSA-N 1 0 336.436 2.217 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915521713 796302458 /nfs/dbraw/zinc/30/24/58/796302458.db2.gz MNNSZJMSOAXTJZ-CQSZACIVSA-N 1 0 346.387 2.362 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094640126 796510107 /nfs/dbraw/zinc/51/01/07/796510107.db2.gz SISQKZGORCTMGB-UHFFFAOYSA-N 1 0 340.399 2.382 20 5 EEBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904428 797131261 /nfs/dbraw/zinc/13/12/61/797131261.db2.gz NJYBGHZYTACVHT-IRXDYDNUSA-N 1 0 343.427 2.443 20 5 EEBDRO CC1(CO)C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010132 797195754 /nfs/dbraw/zinc/19/57/54/797195754.db2.gz MVMNEHSWOWVFLM-UHFFFAOYSA-N 1 0 341.358 2.156 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCN2C)c1F ZINC001173180873 797278596 /nfs/dbraw/zinc/27/85/96/797278596.db2.gz YQSOIDANSDAYIO-NWDGAFQWSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1F ZINC001173180147 797278707 /nfs/dbraw/zinc/27/87/07/797278707.db2.gz IRWVCXSJAAMSOI-UHIISALHSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC([NH+]3CCCC3)C2)c1F ZINC001173191039 797281693 /nfs/dbraw/zinc/28/16/93/797281693.db2.gz ZUGOYAIZCWCHHF-GFCCVEGCSA-N 1 0 337.395 2.454 20 5 EEBDRO Cc1cc(N2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001095182537 797492934 /nfs/dbraw/zinc/49/29/34/797492934.db2.gz ZRDSWNDUXBBYQA-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO CC(C)(C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173692189 797603675 /nfs/dbraw/zinc/60/36/75/797603675.db2.gz RRNJNVAFZLVGEY-UHFFFAOYSA-N 1 0 341.433 2.136 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000916979174 798007941 /nfs/dbraw/zinc/00/79/41/798007941.db2.gz KBMIXTOBKBEANG-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC001086232126 802557234 /nfs/dbraw/zinc/55/72/34/802557234.db2.gz SDSBOEBRMPRRIS-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]c1 ZINC001086373783 802848428 /nfs/dbraw/zinc/84/84/28/802848428.db2.gz OAEFJWMMEPUCJT-CTYIDZIISA-N 1 0 328.372 2.221 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984276 803548250 /nfs/dbraw/zinc/54/82/50/803548250.db2.gz LPCHEFHRFIHCKR-YIYPIFLZSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168962423 803551213 /nfs/dbraw/zinc/55/12/13/803551213.db2.gz MOZLJFHGGCSRTK-JFILPPLUSA-N 1 0 325.409 2.031 20 5 EEBDRO Cc1ccnc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168992328 803560105 /nfs/dbraw/zinc/56/01/05/803560105.db2.gz JJPAKWKRASHRRK-HZPDHXFCSA-N 1 0 333.432 2.473 20 5 EEBDRO C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033627 803578734 /nfs/dbraw/zinc/57/87/34/803578734.db2.gz CQHYEWIASDLEQW-HZSPNIEDSA-N 1 0 327.425 2.373 20 5 EEBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169033630 803578808 /nfs/dbraw/zinc/57/88/08/803578808.db2.gz CQHYEWIASDLEQW-MGPQQGTHSA-N 1 0 327.425 2.373 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018259 803586986 /nfs/dbraw/zinc/58/69/86/803586986.db2.gz AGNMVOBMDBTHOM-WBVHZDCISA-N 1 0 345.443 2.104 20 5 EEBDRO Cn1nc(COCC2CC2)c2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023668 803590104 /nfs/dbraw/zinc/59/01/04/803590104.db2.gz PJSYMOSTMAEFOO-CABCVRRESA-N 1 0 348.447 2.150 20 5 EEBDRO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056324 803597627 /nfs/dbraw/zinc/59/76/27/803597627.db2.gz RSYLGWKWUZRIDF-HZSPNIEDSA-N 1 0 347.390 2.301 20 5 EEBDRO O=C(CCn1cccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001169185635 803643608 /nfs/dbraw/zinc/64/36/08/803643608.db2.gz YYARYHKTEJCLAU-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001169684046 803953298 /nfs/dbraw/zinc/95/32/98/803953298.db2.gz QLVIIDMMWABCIG-LBPRGKRZSA-N 1 0 341.371 2.329 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787675086 807177137 /nfs/dbraw/zinc/17/71/37/807177137.db2.gz JEOFSLBVCXSBIG-INIZCTEOSA-N 1 0 337.395 2.421 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CCCCO)CC1 ZINC000788846532 807716071 /nfs/dbraw/zinc/71/60/71/807716071.db2.gz SOUCSHZHXIZVAC-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000789509346 808033184 /nfs/dbraw/zinc/03/31/84/808033184.db2.gz UMCAPBRSTZHVPL-CABCVRRESA-N 1 0 331.376 2.249 20 5 EEBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170318668 809888028 /nfs/dbraw/zinc/88/80/28/809888028.db2.gz RFZAZTXOIVYVFV-JSGCOSHPSA-N 1 0 335.404 2.135 20 5 EEBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170318669 809888102 /nfs/dbraw/zinc/88/81/02/809888102.db2.gz RFZAZTXOIVYVFV-OCCSQVGLSA-N 1 0 335.404 2.135 20 5 EEBDRO Cc1onc(C2CC2)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131436575 812844916 /nfs/dbraw/zinc/84/49/16/812844916.db2.gz KWXQDGIDRGRKAV-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174566006 231244107 /nfs/dbraw/zinc/24/41/07/231244107.db2.gz OTPKLSGWWYHPCX-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171804147 529467763 /nfs/dbraw/zinc/46/77/63/529467763.db2.gz HCJUCNZOSMFILH-BZNIZROVSA-N 1 0 337.424 2.121 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c2ncccc12 ZINC000176742035 231722324 /nfs/dbraw/zinc/72/23/24/231722324.db2.gz DFVMXZIWUTZOFZ-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422848257 535212810 /nfs/dbraw/zinc/21/28/10/535212810.db2.gz JLJROOLFJUUNJK-JTQLQIEISA-N 1 0 331.825 2.440 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000349868135 283336116 /nfs/dbraw/zinc/33/61/16/283336116.db2.gz LOXUNCJEGWKQBO-CQSZACIVSA-N 1 0 349.435 2.180 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072703884 216296051 /nfs/dbraw/zinc/29/60/51/216296051.db2.gz YGSKCTYSLNQXNO-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000072839759 216315363 /nfs/dbraw/zinc/31/53/63/216315363.db2.gz ZCHGJQVWNHDOJC-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132629334 223349263 /nfs/dbraw/zinc/34/92/63/223349263.db2.gz OUGGKUCJQACKAB-CQSZACIVSA-N 1 0 335.404 2.493 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000422891237 240277935 /nfs/dbraw/zinc/27/79/35/240277935.db2.gz UWQBSFRPALKTCX-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@@H]1[NH3+] ZINC000423980963 240770562 /nfs/dbraw/zinc/77/05/62/240770562.db2.gz QKDKXFOSQNDGNJ-BMIGLBTASA-N 1 0 339.370 2.240 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000424464181 240955154 /nfs/dbraw/zinc/95/51/54/240955154.db2.gz PAOLVCQQCQVRAL-HZPDHXFCSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314175 241740851 /nfs/dbraw/zinc/74/08/51/241740851.db2.gz HPEOKAOWWGBOAH-SMDDNHRTSA-N 1 0 341.367 2.384 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)F)n1 ZINC000447536868 242285445 /nfs/dbraw/zinc/28/54/45/242285445.db2.gz QSJNOAJZNMCHSA-MNOVXSKESA-N 1 0 336.314 2.444 20 5 EEBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541496 242287952 /nfs/dbraw/zinc/28/79/52/242287952.db2.gz MQCOTQURUZEYJL-LSDHHAIUSA-N 1 0 332.408 2.415 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262584356 245046038 /nfs/dbraw/zinc/04/60/38/245046038.db2.gz NRVOUOLZVZONJH-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000262590907 245049744 /nfs/dbraw/zinc/04/97/44/245049744.db2.gz RGUFGBXOZHOIBY-NSHDSACASA-N 1 0 341.795 2.133 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+](C)C)cc1SC ZINC000264058252 246025457 /nfs/dbraw/zinc/02/54/57/246025457.db2.gz VNGQHLONDFAXSL-JTQLQIEISA-N 1 0 341.433 2.395 20 5 EEBDRO COCC1=CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000185819028 533159352 /nfs/dbraw/zinc/15/93/52/533159352.db2.gz YWKZYDMQKRMFFP-UHFFFAOYSA-N 1 0 349.387 2.211 20 5 EEBDRO COc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266174587 256020697 /nfs/dbraw/zinc/02/06/97/256020697.db2.gz SIBHSAFOMINWFC-MRXNPFEDSA-N 1 0 336.436 2.287 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267114206 256028504 /nfs/dbraw/zinc/02/85/04/256028504.db2.gz ODDXPVPYNPBZKH-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000267988845 256102619 /nfs/dbraw/zinc/10/26/19/256102619.db2.gz PRJVPOXGPUWMIL-GXTWGEPZSA-N 1 0 342.399 2.291 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000271216617 256221067 /nfs/dbraw/zinc/22/10/67/256221067.db2.gz IZSJPDVFOPQCQD-XOKHGSTOSA-N 1 0 330.388 2.408 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000273504454 256302608 /nfs/dbraw/zinc/30/26/08/256302608.db2.gz VWXLZORWPJGXHJ-OLZOCXBDSA-N 1 0 342.396 2.243 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273597123 256310620 /nfs/dbraw/zinc/31/06/20/256310620.db2.gz IRMHEAXZKJGVQW-CQSZACIVSA-N 1 0 327.388 2.486 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CC2CC2)CC1 ZINC000053238265 292137098 /nfs/dbraw/zinc/13/70/98/292137098.db2.gz SWOFQKKHWWPBLF-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000191730145 152270883 /nfs/dbraw/zinc/27/08/83/152270883.db2.gz YHGRJFUIYGDOGD-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO CCC(=O)c1ccc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000359490509 153395810 /nfs/dbraw/zinc/39/58/10/153395810.db2.gz JAXFHDIJYBHXMZ-UHFFFAOYSA-N 1 0 335.404 2.304 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000363150134 286381383 /nfs/dbraw/zinc/38/13/83/286381383.db2.gz MAAORVPONLEBNF-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000249004472 160370705 /nfs/dbraw/zinc/37/07/05/160370705.db2.gz HUWXFOMMTLBBAQ-JQHSSLGASA-N 1 0 344.415 2.153 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000249295308 160378002 /nfs/dbraw/zinc/37/80/02/160378002.db2.gz QXICHXSCVDZZCK-KBPBESRZSA-N 1 0 348.428 2.346 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000129159266 292353230 /nfs/dbraw/zinc/35/32/30/292353230.db2.gz ICZHPAKMDWCPFT-UHFFFAOYSA-N 1 0 342.399 2.385 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106787517 159321621 /nfs/dbraw/zinc/32/16/21/159321621.db2.gz SFYPXRCOBUOBQD-CYBMUJFWSA-N 1 0 333.388 2.107 20 5 EEBDRO CCOc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827408 160018531 /nfs/dbraw/zinc/01/85/31/160018531.db2.gz KKQBKDIQRGAHCQ-CQSZACIVSA-N 1 0 336.436 2.431 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000193896237 160188780 /nfs/dbraw/zinc/18/87/80/160188780.db2.gz NPRPLOXXDPNPHM-QIYSSYPNSA-N 1 0 348.447 2.347 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000338056217 160701336 /nfs/dbraw/zinc/70/13/36/160701336.db2.gz GKDSBOLMLDBLDY-UKRRQHHQSA-N 1 0 346.431 2.404 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000343055461 161098853 /nfs/dbraw/zinc/09/88/53/161098853.db2.gz SSOAGQVHNIQKNR-ZDUSSCGKSA-N 1 0 336.392 2.309 20 5 EEBDRO CS[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000343634106 161153051 /nfs/dbraw/zinc/15/30/51/161153051.db2.gz GALIGUHEPULRTD-JKSUJKDBSA-N 1 0 339.461 2.341 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343768773 161166573 /nfs/dbraw/zinc/16/65/73/161166573.db2.gz MXSFZVFCQGZMTR-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CO[C@@H]1C[C@@H](CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343875943 161176838 /nfs/dbraw/zinc/17/68/38/161176838.db2.gz LTVCEGUXKJFVCW-VHSXEESVSA-N 1 0 348.325 2.164 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)o2)c1 ZINC000344036283 161192371 /nfs/dbraw/zinc/19/23/71/161192371.db2.gz SMACOWBLKUHRJY-BPUTZDHNSA-N 1 0 343.383 2.495 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000345980422 161347440 /nfs/dbraw/zinc/34/74/40/161347440.db2.gz KSCFRBQJQRAPMK-ZIAGYGMSSA-N 1 0 344.415 2.491 20 5 EEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351518730 161812112 /nfs/dbraw/zinc/81/21/12/161812112.db2.gz SUFNBFCVLLKNTC-CZUORRHYSA-N 1 0 332.360 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)C3CCCC3)o2)cc1 ZINC000352708476 162253078 /nfs/dbraw/zinc/25/30/78/162253078.db2.gz WNPLJKAVOOZCGH-AWEZNQCLSA-N 1 0 332.360 2.286 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353794741 162697439 /nfs/dbraw/zinc/69/74/39/162697439.db2.gz BKKCWXQOXXXBHT-UKRRQHHQSA-N 1 0 349.435 2.169 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000359266433 164098457 /nfs/dbraw/zinc/09/84/57/164098457.db2.gz DXPHOMKETDPUTB-ZDUSSCGKSA-N 1 0 332.404 2.353 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368245569 166075772 /nfs/dbraw/zinc/07/57/72/166075772.db2.gz VHFKNSTVKOZYET-XBVQOTNRSA-N 1 0 336.436 2.443 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000364047393 165010742 /nfs/dbraw/zinc/01/07/42/165010742.db2.gz ZNSYOLFBEONEFY-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250666 166221602 /nfs/dbraw/zinc/22/16/02/166221602.db2.gz MDAYOTUDJZYWIL-SJORKVTESA-N 1 0 330.388 2.416 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375963360 167236751 /nfs/dbraw/zinc/23/67/51/167236751.db2.gz JNBBPOIGDUFXBX-MRXNPFEDSA-N 1 0 340.383 2.010 20 5 EEBDRO CN(CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000378224401 167644041 /nfs/dbraw/zinc/64/40/41/167644041.db2.gz IMNCRRHRFOVZKD-OAHLLOKOSA-N 1 0 346.431 2.022 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+](C)C ZINC000271769937 268857085 /nfs/dbraw/zinc/85/70/85/268857085.db2.gz IKJGLMAFBCAMPX-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO COc1ccc(OCCN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277280694 269147226 /nfs/dbraw/zinc/14/72/26/269147226.db2.gz SFTQFHIWOMKLHE-AWEZNQCLSA-N 1 0 337.420 2.398 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279066566 269260552 /nfs/dbraw/zinc/26/05/52/269260552.db2.gz ACSLRYKSSBKKIH-HIFRSBDPSA-N 1 0 347.415 2.109 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000279543325 269287043 /nfs/dbraw/zinc/28/70/43/269287043.db2.gz SGMYOGVOTANWJZ-JTQLQIEISA-N 1 0 341.795 2.423 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000193208236 274056301 /nfs/dbraw/zinc/05/63/01/274056301.db2.gz RTIZTUOSGHPQLL-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272479277 274173478 /nfs/dbraw/zinc/17/34/78/274173478.db2.gz GJYUKPBENXSXTR-UHFFFAOYSA-N 1 0 339.342 2.430 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272614349 274177569 /nfs/dbraw/zinc/17/75/69/274177569.db2.gz XEYFPJRCKWACQN-LLVKDONJSA-N 1 0 339.342 2.287 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCOCC1 ZINC000129901432 274246217 /nfs/dbraw/zinc/24/62/17/274246217.db2.gz VXGUKEWKQLOOIR-LLVKDONJSA-N 1 0 339.367 2.467 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CCOCC1 ZINC000275514956 274255237 /nfs/dbraw/zinc/25/52/37/274255237.db2.gz IHYQSEZMFFZGJL-UHFFFAOYSA-N 1 0 338.404 2.355 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000277597818 274318364 /nfs/dbraw/zinc/31/83/64/274318364.db2.gz OGNLHGOXTYVCBA-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262755670 274377151 /nfs/dbraw/zinc/37/71/51/274377151.db2.gz KHNUKVDGVPYXAC-PELKAZGASA-N 1 0 342.193 2.085 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997424 274825827 /nfs/dbraw/zinc/82/58/27/274825827.db2.gz YCOWWKNLXLZZRF-UKRRQHHQSA-N 1 0 333.388 2.059 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC1CC[NH+](C)CC1 ZINC000288091767 275022889 /nfs/dbraw/zinc/02/28/89/275022889.db2.gz WKBRIPOQTADPMT-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289183189 275102789 /nfs/dbraw/zinc/10/27/89/275102789.db2.gz ILMDNQASVCSYKP-GOSISDBHSA-N 1 0 346.431 2.389 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289741462 275144518 /nfs/dbraw/zinc/14/45/18/275144518.db2.gz QODBSNXSVQSVFO-UHFFFAOYSA-N 1 0 344.799 2.338 20 5 EEBDRO COc1cc(C[NH2+]CCc2cccnc2OC)c([N+](=O)[O-])cc1O ZINC000289758591 275146172 /nfs/dbraw/zinc/14/61/72/275146172.db2.gz IVGMIDJSRFVLEK-UHFFFAOYSA-N 1 0 333.344 2.045 20 5 EEBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289854001 275155431 /nfs/dbraw/zinc/15/54/31/275155431.db2.gz QDVBNJJYRGQPOU-UHFFFAOYSA-N 1 0 346.343 2.477 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[N@@H+](CC)CCC)c1[N+](=O)[O-] ZINC000291625993 275324414 /nfs/dbraw/zinc/32/44/14/275324414.db2.gz UJLRDHQYPFGGMY-LLVKDONJSA-N 1 0 325.413 2.121 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292059731 275369647 /nfs/dbraw/zinc/36/96/47/275369647.db2.gz AQTGKEYHSSGJOC-SFHVURJKSA-N 1 0 342.399 2.104 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000292065639 275370655 /nfs/dbraw/zinc/37/06/55/275370655.db2.gz KPNIDDPHMIAJPN-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000292437940 275428026 /nfs/dbraw/zinc/42/80/26/275428026.db2.gz RJFJSOQEQAQIHY-NSHDSACASA-N 1 0 325.384 2.325 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412147787 276074207 /nfs/dbraw/zinc/07/42/07/276074207.db2.gz HPBJXJSVFVMNIZ-XOKHGSTOSA-N 1 0 331.416 2.499 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000408194152 277070545 /nfs/dbraw/zinc/07/05/45/277070545.db2.gz GXCNPRSBPBCEPS-TZMCWYRMSA-N 1 0 327.388 2.459 20 5 EEBDRO CC(C)c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352714200 278036104 /nfs/dbraw/zinc/03/61/04/278036104.db2.gz AVWUVPJSYZYRQF-MRXNPFEDSA-N 1 0 332.448 2.198 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(F)c1 ZINC000339759861 280359457 /nfs/dbraw/zinc/35/94/57/280359457.db2.gz JFFKXZVQDVIJRJ-CVEARBPZSA-N 1 0 342.342 2.283 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000121373680 289301627 /nfs/dbraw/zinc/30/16/27/289301627.db2.gz QJYVAHXWHUZZHG-HUUCEWRRSA-N 1 0 334.420 2.309 20 5 EEBDRO CN(CCC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281244187 292744344 /nfs/dbraw/zinc/74/43/44/292744344.db2.gz LZBPXRQJROXYGG-UHFFFAOYSA-N 1 0 335.404 2.379 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536694 294002261 /nfs/dbraw/zinc/00/22/61/294002261.db2.gz SAWINLYTUKPPDE-BFQNTYOBSA-N 1 0 332.404 2.438 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000296985428 294120910 /nfs/dbraw/zinc/12/09/10/294120910.db2.gz DZZOULQXPXAAFW-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297406762 294235803 /nfs/dbraw/zinc/23/58/03/294235803.db2.gz NPEAACGRRRQVMO-LBPRGKRZSA-N 1 0 346.391 2.236 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298138805 294429383 /nfs/dbraw/zinc/42/93/83/294429383.db2.gz FLPPYTBPEBNPCD-UHFFFAOYSA-N 1 0 335.404 2.305 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000298783006 294585407 /nfs/dbraw/zinc/58/54/07/294585407.db2.gz GRCRBADNWCULDS-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CC[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cn3)c2)CC1 ZINC000302232105 294945307 /nfs/dbraw/zinc/94/53/07/294945307.db2.gz CMSXUHIETWGINT-UHFFFAOYSA-N 1 0 328.376 2.270 20 5 EEBDRO COc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332329739 311990244 /nfs/dbraw/zinc/99/02/44/311990244.db2.gz PBMDGDBPJTVBPH-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332374340 311997297 /nfs/dbraw/zinc/99/72/97/311997297.db2.gz CMSSLXNGHJRHNJ-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344127975 312268602 /nfs/dbraw/zinc/26/86/02/312268602.db2.gz KQOCKHAEDZROOT-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411769087 312571521 /nfs/dbraw/zinc/57/15/21/312571521.db2.gz HPQOPWZQWBYOSQ-INIZCTEOSA-N 1 0 335.404 2.310 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413204286 312820485 /nfs/dbraw/zinc/82/04/85/312820485.db2.gz XPUVJZXUUVWBDM-LLVKDONJSA-N 1 0 348.325 2.166 20 5 EEBDRO [NH3+]C1(c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)CCC1 ZINC000414631855 313052034 /nfs/dbraw/zinc/05/20/34/313052034.db2.gz YMWKLDFCQGSPTE-UHFFFAOYSA-N 1 0 326.316 2.168 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415652676 313162161 /nfs/dbraw/zinc/16/21/61/313162161.db2.gz HRSPKRIRHYWXCE-MRXNPFEDSA-N 1 0 334.376 2.211 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000418137487 313723407 /nfs/dbraw/zinc/72/34/07/313723407.db2.gz RRMXVEAQLAHRMV-LLVKDONJSA-N 1 0 345.346 2.041 20 5 EEBDRO [NH3+][C@@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418494895 313828117 /nfs/dbraw/zinc/82/81/17/313828117.db2.gz ZMGRHGGEIIKPFK-ZBFHGGJFSA-N 1 0 332.404 2.221 20 5 EEBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1cccs1 ZINC000439135948 315069682 /nfs/dbraw/zinc/06/96/82/315069682.db2.gz WONNUHNGGSEMFZ-LBPRGKRZSA-N 1 0 334.401 2.470 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621261 315088980 /nfs/dbraw/zinc/08/89/80/315088980.db2.gz CAPPDZGSJCTVFI-RBSFLKMASA-N 1 0 333.388 2.103 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](CC)CC ZINC000441798292 315191711 /nfs/dbraw/zinc/19/17/11/315191711.db2.gz DTXPIVUNVARRLB-UHFFFAOYSA-N 1 0 343.449 2.167 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342608 315242981 /nfs/dbraw/zinc/24/29/81/315242981.db2.gz FFAXWRMWUKVJAS-KCQAQPDRSA-N 1 0 338.404 2.464 20 5 EEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121281 315274735 /nfs/dbraw/zinc/27/47/35/315274735.db2.gz HNZHJJQIUUXWCW-CRAIPNDOSA-N 1 0 347.415 2.012 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444270813 315286421 /nfs/dbraw/zinc/28/64/21/315286421.db2.gz PRWGCSVPWDNAKI-CMPLNLGQSA-N 1 0 341.795 2.274 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637911 316404651 /nfs/dbraw/zinc/40/46/51/316404651.db2.gz WCUVSNHMIQXWQO-DRABBMOASA-N 1 0 333.388 2.325 20 5 EEBDRO CN(C)C(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000523851048 317003881 /nfs/dbraw/zinc/00/38/81/317003881.db2.gz INUSGXRQSJLGCR-KRWDZBQOSA-N 1 0 343.383 2.393 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000524137625 317008314 /nfs/dbraw/zinc/00/83/14/317008314.db2.gz GOXFZPNFFLYQNX-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO COc1ccc(CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000537590140 318020990 /nfs/dbraw/zinc/02/09/90/318020990.db2.gz FFJJSIXGYMPWEV-ZDUSSCGKSA-N 1 0 349.431 2.335 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548370313 318382136 /nfs/dbraw/zinc/38/21/36/318382136.db2.gz GYXSEOHWXDAMGA-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000564735595 319106179 /nfs/dbraw/zinc/10/61/79/319106179.db2.gz WWKTUDVHBIXZMV-UHFFFAOYSA-N 1 0 328.372 2.344 20 5 EEBDRO COc1cc(C(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000564840423 319116646 /nfs/dbraw/zinc/11/66/46/319116646.db2.gz HFECTDKAXSDNHT-UHFFFAOYSA-N 1 0 347.318 2.062 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000564942429 319131055 /nfs/dbraw/zinc/13/10/55/319131055.db2.gz KVXBASDFJUFMTQ-ZIAGYGMSSA-N 1 0 332.404 2.098 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000566043476 319237413 /nfs/dbraw/zinc/23/74/13/319237413.db2.gz BBYQCXJHAWYBNA-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO O=c1[nH]cnc2cc(N3CC[C@H](C[NH+]4CCCC4)C3)c([N+](=O)[O-])cc21 ZINC000568300087 319476536 /nfs/dbraw/zinc/47/65/36/319476536.db2.gz YTCUERIFFWBEDN-GFCCVEGCSA-N 1 0 343.387 2.166 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000572149610 319820011 /nfs/dbraw/zinc/82/00/11/319820011.db2.gz LWEIWERICMWSDT-XJKSGUPXSA-N 1 0 330.388 2.164 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000574389895 320020611 /nfs/dbraw/zinc/02/06/11/320020611.db2.gz DWCUSXICCCBTJO-CQSZACIVSA-N 1 0 345.403 2.001 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000583095527 324593739 /nfs/dbraw/zinc/59/37/39/324593739.db2.gz MLUBWUJFHQRQOA-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO C[N@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCC1 ZINC000600817728 449561639 /nfs/dbraw/zinc/56/16/39/449561639.db2.gz UNYXQFMAIPXAIW-UHFFFAOYSA-N 1 0 329.360 2.408 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000133661636 462957108 /nfs/dbraw/zinc/95/71/08/462957108.db2.gz MMKJYVWHGMMWOS-JOYOIKCWSA-N 1 0 348.359 2.166 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295951517 465032223 /nfs/dbraw/zinc/03/22/23/465032223.db2.gz HDMBIHTXJYQSAQ-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CCNc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000326900838 465045648 /nfs/dbraw/zinc/04/56/48/465045648.db2.gz KZMIAYOSGGPSMH-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)n1 ZINC000339130860 465099876 /nfs/dbraw/zinc/09/98/76/465099876.db2.gz FRQLARXXPNMKAE-MRXNPFEDSA-N 1 0 348.378 2.171 20 5 EEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635782 465138778 /nfs/dbraw/zinc/13/87/78/465138778.db2.gz YDDDWPHDCBBJJN-IUODEOHRSA-N 1 0 347.371 2.089 20 5 EEBDRO CCC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315054 465153402 /nfs/dbraw/zinc/15/34/02/465153402.db2.gz GOTMFTHMXBLGHX-DZGCQCFKSA-N 1 0 343.449 2.353 20 5 EEBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337324610 465306595 /nfs/dbraw/zinc/30/65/95/465306595.db2.gz UKIKQPHRFDDMFD-LBPRGKRZSA-N 1 0 337.376 2.197 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1Cl ZINC000590570780 468275051 /nfs/dbraw/zinc/27/50/51/468275051.db2.gz ZXNRMELFJOVEBQ-ZDUSSCGKSA-N 1 0 335.795 2.940 20 5 EEBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000127739219 462578023 /nfs/dbraw/zinc/57/80/23/462578023.db2.gz CXQTVNXRDOUFJW-HNNXBMFYSA-N 1 0 340.383 2.299 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000113229421 462580113 /nfs/dbraw/zinc/58/01/13/462580113.db2.gz BTIHRTVVLJFWCG-GXTWGEPZSA-N 1 0 335.429 2.382 20 5 EEBDRO CC[NH+]1CCC(N2CCCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000579097493 468308753 /nfs/dbraw/zinc/30/87/53/468308753.db2.gz BNFHAZMHSCTJHT-UHFFFAOYSA-N 1 0 339.465 2.048 20 5 EEBDRO CCOCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128584960 462654318 /nfs/dbraw/zinc/65/43/18/462654318.db2.gz NMMACBLQUUCMDS-UHFFFAOYSA-N 1 0 327.356 2.421 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000046199776 462660089 /nfs/dbraw/zinc/66/00/89/462660089.db2.gz RKTSTUMNJJJLBZ-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000115519839 462718643 /nfs/dbraw/zinc/71/86/43/462718643.db2.gz LQBUYVIGQWNPLA-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000008269870 462776032 /nfs/dbraw/zinc/77/60/32/462776032.db2.gz RJTYMWMFKQKOKE-QWHCGFSZSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000047433348 462783070 /nfs/dbraw/zinc/78/30/70/462783070.db2.gz HMXQVOLTGRXWAC-CHWSQXEVSA-N 1 0 335.404 2.132 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000154621717 462790238 /nfs/dbraw/zinc/79/02/38/462790238.db2.gz NMMFVYHJDPOBII-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000065867381 462834888 /nfs/dbraw/zinc/83/48/88/462834888.db2.gz VSXJHMFLUFDSSC-ZIAGYGMSSA-N 1 0 334.420 2.243 20 5 EEBDRO Nc1nc(NCc2cccc(C[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000076677392 462895462 /nfs/dbraw/zinc/89/54/62/462895462.db2.gz KRAYZSXQZOGLBK-UHFFFAOYSA-N 1 0 328.376 2.175 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000579226570 468327168 /nfs/dbraw/zinc/32/71/68/468327168.db2.gz SQJQXTTWPCCWHJ-CQSZACIVSA-N 1 0 326.356 2.078 20 5 EEBDRO C[N@H+](CC1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000155835465 462949812 /nfs/dbraw/zinc/94/98/12/462949812.db2.gz RFCGXXNVGQYGBR-MRXNPFEDSA-N 1 0 333.388 2.059 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000155951570 462962374 /nfs/dbraw/zinc/96/23/74/462962374.db2.gz OFRMQWFYZLZWKO-CYBMUJFWSA-N 1 0 335.379 2.221 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120136038 462965609 /nfs/dbraw/zinc/96/56/09/462965609.db2.gz KAPGVEMICPQVPA-UHFFFAOYSA-N 1 0 338.408 2.301 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000120374435 462991680 /nfs/dbraw/zinc/99/16/80/462991680.db2.gz ONYNQEUASHZIDX-HNNXBMFYSA-N 1 0 346.431 2.313 20 5 EEBDRO CCOc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000156363767 463013596 /nfs/dbraw/zinc/01/35/96/463013596.db2.gz AFOUIFAIELDSAB-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000067901124 463065216 /nfs/dbraw/zinc/06/52/16/463065216.db2.gz LCKZGASJFXCAEC-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC([NH+](C)C)C2)CC1 ZINC000134927536 463097248 /nfs/dbraw/zinc/09/72/48/463097248.db2.gz BFXYNCIYFDTZGX-UHFFFAOYSA-N 1 0 346.431 2.217 20 5 EEBDRO CC1CC[NH+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068203060 463105266 /nfs/dbraw/zinc/10/52/66/463105266.db2.gz QGAFMRPIHJQLJW-UHFFFAOYSA-N 1 0 344.415 2.398 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079718504 463244328 /nfs/dbraw/zinc/24/43/28/463244328.db2.gz VZCVHPMKPHMTJS-HUUCEWRRSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@H]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995049 468346532 /nfs/dbraw/zinc/34/65/32/468346532.db2.gz CVTBWKJTZYPGOJ-OLZOCXBDSA-N 1 0 326.418 2.394 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC(C)(C)C1 ZINC000030196621 463289078 /nfs/dbraw/zinc/28/90/78/463289078.db2.gz LCQLRGSTNSEUDY-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000069642792 463293478 /nfs/dbraw/zinc/29/34/78/463293478.db2.gz HKALAASGAZPIIG-UHFFFAOYSA-N 1 0 333.348 2.293 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000139934026 463333802 /nfs/dbraw/zinc/33/38/02/463333802.db2.gz VLKHTGYSDSSHIP-UHFFFAOYSA-N 1 0 345.403 2.049 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000102932891 463393571 /nfs/dbraw/zinc/39/35/71/463393571.db2.gz ZCVWTKDSWFYJAD-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+](C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000124466437 463427639 /nfs/dbraw/zinc/42/76/39/463427639.db2.gz BXJKORNSJYVJDR-UHFFFAOYSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[N@H+](C)C1CC1 ZINC000057716076 463513534 /nfs/dbraw/zinc/51/35/34/463513534.db2.gz CMJDEWZCHKQAEB-ZDUSSCGKSA-N 1 0 346.431 2.408 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000042157833 463547987 /nfs/dbraw/zinc/54/79/87/463547987.db2.gz ITLHOBXFHJGQNP-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072859104 463555194 /nfs/dbraw/zinc/55/51/94/463555194.db2.gz UXHIOSPMIFUBLD-KBPBESRZSA-N 1 0 334.420 2.195 20 5 EEBDRO C[NH+](C)CCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590901869 468368920 /nfs/dbraw/zinc/36/89/20/468368920.db2.gz XZLPXHLVGXJNPV-OAHLLOKOSA-N 1 0 334.420 2.436 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]12 ZINC000185105680 463753981 /nfs/dbraw/zinc/75/39/81/463753981.db2.gz FMIVFUHYWPSUPY-APHBMKBZSA-N 1 0 344.415 2.004 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000286983868 463763497 /nfs/dbraw/zinc/76/34/97/463763497.db2.gz OXXNMGPSQCFFND-TZMCWYRMSA-N 1 0 336.417 2.297 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000171047384 463768597 /nfs/dbraw/zinc/76/85/97/463768597.db2.gz HVBYRCFNICTDAJ-GFCCVEGCSA-N 1 0 338.408 2.133 20 5 EEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261633415 463808606 /nfs/dbraw/zinc/80/86/06/463808606.db2.gz BIKIBKGGFZAUQS-UHFFFAOYSA-N 1 0 327.384 2.167 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553830186 468381453 /nfs/dbraw/zinc/38/14/53/468381453.db2.gz AGIPLXIPQYVIIB-XJKSGUPXSA-N 1 0 332.404 2.363 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269072994 463866686 /nfs/dbraw/zinc/86/66/86/463866686.db2.gz VGTMUOAMYMLNIA-DLBZAZTESA-N 1 0 347.415 2.093 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269072997 463866911 /nfs/dbraw/zinc/86/69/11/463866911.db2.gz VGTMUOAMYMLNIA-SJORKVTESA-N 1 0 347.415 2.093 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000287503670 463907903 /nfs/dbraw/zinc/90/79/03/463907903.db2.gz UEFLAYIZERJJNL-AWEZNQCLSA-N 1 0 333.388 2.048 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000287534628 463918224 /nfs/dbraw/zinc/91/82/24/463918224.db2.gz VRXZZONTEDLWQP-LBPRGKRZSA-N 1 0 339.392 2.025 20 5 EEBDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000283540409 463919489 /nfs/dbraw/zinc/91/94/89/463919489.db2.gz PBWJEEXXCIPRAB-UHFFFAOYSA-N 1 0 344.419 2.168 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000194776044 463926189 /nfs/dbraw/zinc/92/61/89/463926189.db2.gz MMIVKETWEINLDW-AWEZNQCLSA-N 1 0 341.433 2.007 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277715150 463929547 /nfs/dbraw/zinc/92/95/47/463929547.db2.gz ITTLFXXWYNVAHA-UHFFFAOYSA-N 1 0 344.415 2.109 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972474 468388231 /nfs/dbraw/zinc/38/82/31/468388231.db2.gz XXKMFBUBOWTNMN-CJNGLKHVSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1([NH+](C)C)CCC1 ZINC000186981741 464088102 /nfs/dbraw/zinc/08/81/02/464088102.db2.gz OMZKINQUAFKJSX-ZDUSSCGKSA-N 1 0 334.420 2.338 20 5 EEBDRO COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000284244323 464122703 /nfs/dbraw/zinc/12/27/03/464122703.db2.gz VYFGSVBGQQGIIQ-UHFFFAOYSA-N 1 0 325.321 2.277 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000591020016 468394822 /nfs/dbraw/zinc/39/48/22/468394822.db2.gz YEFLILAZGBBUAW-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000591032508 468397878 /nfs/dbraw/zinc/39/78/78/468397878.db2.gz KRUPVADCRZSGKR-MRXNPFEDSA-N 1 0 337.376 2.091 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292652274 464299678 /nfs/dbraw/zinc/29/96/78/464299678.db2.gz BTZGMKLKTSSPNM-KRWDZBQOSA-N 1 0 348.403 2.089 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180470489 464316509 /nfs/dbraw/zinc/31/65/09/464316509.db2.gz HLTXHJXMNWTDFC-UHFFFAOYSA-N 1 0 343.330 2.412 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237477303 464326528 /nfs/dbraw/zinc/32/65/28/464326528.db2.gz DXYOSUWYOMOZDT-GHMZBOCLSA-N 1 0 341.795 2.213 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000237486749 464327805 /nfs/dbraw/zinc/32/78/05/464327805.db2.gz GIHVMCJJNJBETD-CZUORRHYSA-N 1 0 334.420 2.373 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264494200 464349842 /nfs/dbraw/zinc/34/98/42/464349842.db2.gz JPGVYFXNQPKGKA-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237663893 464361036 /nfs/dbraw/zinc/36/10/36/464361036.db2.gz CPBWODASBAMSBR-OCCSQVGLSA-N 1 0 341.433 2.007 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761956 464374849 /nfs/dbraw/zinc/37/48/49/464374849.db2.gz VOTRLLCOAUNNDY-SWLSCSKDSA-N 1 0 340.330 2.171 20 5 EEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188896152 464389893 /nfs/dbraw/zinc/38/98/93/464389893.db2.gz LFDDQBQXPIHKJZ-PMGBHYCQSA-N 1 0 333.432 2.385 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264633904 464402847 /nfs/dbraw/zinc/40/28/47/464402847.db2.gz VUQWPZPQAUEMFQ-CHWSQXEVSA-N 1 0 334.294 2.361 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237929705 464405502 /nfs/dbraw/zinc/40/55/02/464405502.db2.gz MUZUJMYPBIDRLB-SWLSCSKDSA-N 1 0 343.387 2.028 20 5 EEBDRO COCCN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000264653164 464410523 /nfs/dbraw/zinc/41/05/23/464410523.db2.gz XIRYZMUACJERKZ-GFCCVEGCSA-N 1 0 345.346 2.007 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000294359855 464477969 /nfs/dbraw/zinc/47/79/69/464477969.db2.gz GHKPSRADICQQTK-HZPDHXFCSA-N 1 0 345.399 2.301 20 5 EEBDRO Cc1c(C[N@H+](CCO)CCOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000264870796 464498320 /nfs/dbraw/zinc/49/83/20/464498320.db2.gz PFBKQDHCEQYKKE-UHFFFAOYSA-N 1 0 336.310 2.276 20 5 EEBDRO COCC[N@H+](C)CCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000189431654 464504106 /nfs/dbraw/zinc/50/41/06/464504106.db2.gz OSFNWGLKTCPNOB-UHFFFAOYSA-N 1 0 347.213 2.133 20 5 EEBDRO Cc1nc(NCc2cccc(CN3CCOCC3)c2)ncc1[N+](=O)[O-] ZINC000294795020 464606291 /nfs/dbraw/zinc/60/62/91/464606291.db2.gz BSYNLXPRRMKFKT-UHFFFAOYSA-N 1 0 343.387 2.138 20 5 EEBDRO C[C@@H](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000182243214 464609076 /nfs/dbraw/zinc/60/90/76/464609076.db2.gz GSSUCXNDAKFCDC-LBPRGKRZSA-N 1 0 345.403 2.465 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C ZINC000246685124 464610960 /nfs/dbraw/zinc/61/09/60/464610960.db2.gz VXSKOHCKWFVCQT-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281857755 464611919 /nfs/dbraw/zinc/61/19/19/464611919.db2.gz YUNVWWQNCZVEMN-KBPBESRZSA-N 1 0 335.404 2.271 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182329221 464627684 /nfs/dbraw/zinc/62/76/84/464627684.db2.gz XFTLXXDWIRWPAM-OLZOCXBDSA-N 1 0 347.371 2.022 20 5 EEBDRO C[C@@H]1CSCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000190397280 464635967 /nfs/dbraw/zinc/63/59/67/464635967.db2.gz LTZCIUQGVYCFRP-STQMWFEESA-N 1 0 326.418 2.019 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664025 464649452 /nfs/dbraw/zinc/64/94/52/464649452.db2.gz FMKGQGGBTLDUHI-UONOGXRCSA-N 1 0 333.388 2.059 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295013666 464677818 /nfs/dbraw/zinc/67/78/18/464677818.db2.gz XVRFDUBEMGZFEL-LLVKDONJSA-N 1 0 341.383 2.449 20 5 EEBDRO CCOc1ccc(NC(=O)CN(C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000295090672 464701049 /nfs/dbraw/zinc/70/10/49/464701049.db2.gz FILQCFUZFMOWBY-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO COc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191246793 464806252 /nfs/dbraw/zinc/80/62/52/464806252.db2.gz FNEOSCKSOAESRW-AWEZNQCLSA-N 1 0 335.404 2.468 20 5 EEBDRO Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000348185523 465479895 /nfs/dbraw/zinc/47/98/95/465479895.db2.gz ZHTQGPDRRWJAAI-GOSISDBHSA-N 1 0 342.399 2.347 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295583217 464891205 /nfs/dbraw/zinc/89/12/05/464891205.db2.gz VXULEAQIOBOVOE-HNNXBMFYSA-N 1 0 349.431 2.295 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[N@@H+]1C1CC1 ZINC000177089749 464927546 /nfs/dbraw/zinc/92/75/46/464927546.db2.gz OQMTZIGNYGSUDI-VXGBXAGGSA-N 1 0 332.404 2.016 20 5 EEBDRO C[NH+]1CCN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276533429 464969627 /nfs/dbraw/zinc/96/96/27/464969627.db2.gz CCZHMJGZVMRDMZ-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000192777779 464994171 /nfs/dbraw/zinc/99/41/71/464994171.db2.gz QLLQANQWYJGLTH-JSGCOSHPSA-N 1 0 333.388 2.160 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184584321 465001244 /nfs/dbraw/zinc/00/12/44/465001244.db2.gz VFLLZLFOOPCKPM-UHFFFAOYSA-N 1 0 328.800 2.388 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286764892 465022884 /nfs/dbraw/zinc/02/28/84/465022884.db2.gz GETQQVFUIQGTFT-GOEBONIOSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356398589 465360351 /nfs/dbraw/zinc/36/03/51/465360351.db2.gz ZCJFNCYEZLOBJU-MXWKQRLJSA-N 1 0 341.795 2.224 20 5 EEBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000298502306 465414171 /nfs/dbraw/zinc/41/41/71/465414171.db2.gz POOOCLLIJUDFIT-ZIAGYGMSSA-N 1 0 335.404 2.210 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337551011 465428364 /nfs/dbraw/zinc/42/83/64/465428364.db2.gz PNKUTVAYDVCMMN-GJZGRUSLSA-N 1 0 332.404 2.363 20 5 EEBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339671142 465432357 /nfs/dbraw/zinc/43/23/57/465432357.db2.gz KZDMIECPBQJVPX-QWHCGFSZSA-N 1 0 335.429 2.430 20 5 EEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538402 465440695 /nfs/dbraw/zinc/44/06/95/465440695.db2.gz AXVPRXZYJKGSIY-KOLCDFICSA-N 1 0 335.364 2.079 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298636779 465455924 /nfs/dbraw/zinc/45/59/24/465455924.db2.gz WJXUPZRFOGRDTK-GFCCVEGCSA-N 1 0 339.392 2.025 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298662004 465464801 /nfs/dbraw/zinc/46/48/01/465464801.db2.gz YASLWYBFFPQKDA-GFCCVEGCSA-N 1 0 339.392 2.025 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299057343 465581260 /nfs/dbraw/zinc/58/12/60/465581260.db2.gz PVDZGCPQDPCUQD-GDBMZVCRSA-N 1 0 328.372 2.433 20 5 EEBDRO CC(=O)N[C@]1(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[NH2+]C1 ZINC000356886542 465602379 /nfs/dbraw/zinc/60/23/79/465602379.db2.gz CFGKZMMIUNBNHN-OAHLLOKOSA-N 1 0 332.385 2.043 20 5 EEBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@@H+]1CCOC ZINC000361073788 465747150 /nfs/dbraw/zinc/74/71/50/465747150.db2.gz MTKXTGAECXQOEL-CQSZACIVSA-N 1 0 339.440 2.057 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000344654993 465753081 /nfs/dbraw/zinc/75/30/81/465753081.db2.gz DBPYPTYWHQENEG-HNNXBMFYSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371451944 465802596 /nfs/dbraw/zinc/80/25/96/465802596.db2.gz NPUPYJYNGGPGHP-GOEBONIOSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871747 465839758 /nfs/dbraw/zinc/83/97/58/465839758.db2.gz RFTNUXQUXAFJAV-PBHICJAKSA-N 1 0 348.447 2.362 20 5 EEBDRO CC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](CC)CC ZINC000346232136 466013069 /nfs/dbraw/zinc/01/30/69/466013069.db2.gz YSMQITLPOUGBDY-UKRRQHHQSA-N 1 0 349.435 2.123 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000349217872 466024073 /nfs/dbraw/zinc/02/40/73/466024073.db2.gz NFXTYQQKKBHQSA-INIZCTEOSA-N 1 0 349.431 2.476 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000362820907 466052101 /nfs/dbraw/zinc/05/21/01/466052101.db2.gz SHBKTPYYBJWTJY-KBPBESRZSA-N 1 0 334.420 2.019 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000346292704 466066780 /nfs/dbraw/zinc/06/67/80/466066780.db2.gz JNQAZDRFGPUWKY-GOSISDBHSA-N 1 0 331.416 2.427 20 5 EEBDRO COCC[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302050175 466087917 /nfs/dbraw/zinc/08/79/17/466087917.db2.gz ZYXSKMABXMZICR-UHFFFAOYSA-N 1 0 330.388 2.220 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000346830805 466183325 /nfs/dbraw/zinc/18/33/25/466183325.db2.gz PDPSBJNKFLYSQF-JIMOISOXSA-N 1 0 327.331 2.365 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331709526 466209358 /nfs/dbraw/zinc/20/93/58/466209358.db2.gz FCHWZSCSONILAA-KSSFIOAISA-N 1 0 347.415 2.105 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000304267354 466272240 /nfs/dbraw/zinc/27/22/40/466272240.db2.gz BAKFWJALVTYLQZ-QGZVFWFLSA-N 1 0 330.388 2.032 20 5 EEBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000367373844 466298829 /nfs/dbraw/zinc/29/88/29/466298829.db2.gz YQHQIWAPMNJGEU-KRWDZBQOSA-N 1 0 336.388 2.446 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000332034085 466354738 /nfs/dbraw/zinc/35/47/38/466354738.db2.gz WOYFHPOWFRDHMU-OAHLLOKOSA-N 1 0 330.388 2.488 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305631331 466411968 /nfs/dbraw/zinc/41/19/68/466411968.db2.gz FTGCUDHCNHKNFN-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305652140 466416263 /nfs/dbraw/zinc/41/62/63/466416263.db2.gz NYDHJRBZCLEPKN-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358123024 466475010 /nfs/dbraw/zinc/47/50/10/466475010.db2.gz MHVGENZJPUBKOJ-LLVKDONJSA-N 1 0 335.379 2.364 20 5 EEBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000313333824 466538874 /nfs/dbraw/zinc/53/88/74/466538874.db2.gz AMYSOYDQOBZHNA-KRWDZBQOSA-N 1 0 340.383 2.180 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312079 466555407 /nfs/dbraw/zinc/55/54/07/466555407.db2.gz PMUARBFIKFCLIT-UKRRQHHQSA-N 1 0 342.399 2.499 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347402912 466613587 /nfs/dbraw/zinc/61/35/87/466613587.db2.gz GPOSJTXFNJARMI-CYBMUJFWSA-N 1 0 329.404 3.070 20 5 EEBDRO C[N@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1)C1CC1 ZINC000354525039 466630153 /nfs/dbraw/zinc/63/01/53/466630153.db2.gz IRNPOMCSDRXKPX-UHFFFAOYSA-N 1 0 329.360 2.207 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000374503925 466655061 /nfs/dbraw/zinc/65/50/61/466655061.db2.gz LJTYGMYZJQXETG-RGYTYGDFSA-N 1 0 333.388 2.469 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423243536 466702523 /nfs/dbraw/zinc/70/25/23/466702523.db2.gz GLHBQFHEFKIPRG-CZUORRHYSA-N 1 0 329.404 2.007 20 5 EEBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423731290 466817116 /nfs/dbraw/zinc/81/71/16/466817116.db2.gz XPHSTBBLWMUNJX-INIZCTEOSA-N 1 0 329.400 2.476 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000365509521 466842380 /nfs/dbraw/zinc/84/23/80/466842380.db2.gz DFOUFCFTHVSUBJ-CYBMUJFWSA-N 1 0 349.435 2.218 20 5 EEBDRO Nc1ccc([N+](=O)[O-])c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000375695200 466865229 /nfs/dbraw/zinc/86/52/29/466865229.db2.gz AGGCFOIKUFFYIC-UHFFFAOYSA-N 1 0 334.420 2.116 20 5 EEBDRO CCOC(=O)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676369 466885497 /nfs/dbraw/zinc/88/54/97/466885497.db2.gz WEMRIIRJPKHNKS-ZIAGYGMSSA-N 1 0 349.387 2.047 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411906009 466929496 /nfs/dbraw/zinc/92/94/96/466929496.db2.gz NMPDRXVGBGNPOL-NSHDSACASA-N 1 0 341.383 2.132 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417773192 466929639 /nfs/dbraw/zinc/92/96/39/466929639.db2.gz WRQUKQROONZBBS-HDJSIYSDSA-N 1 0 334.420 2.202 20 5 EEBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973235 466953072 /nfs/dbraw/zinc/95/30/72/466953072.db2.gz RJCYFEVJPVSOBF-SJKOYZFVSA-N 1 0 335.404 2.351 20 5 EEBDRO COc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424221065 467007037 /nfs/dbraw/zinc/00/70/37/467007037.db2.gz GAKLJTAEBCLFMZ-LBPRGKRZSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233290 467081410 /nfs/dbraw/zinc/08/14/10/467081410.db2.gz ODUHWXFWLNPYAE-DLKVLKDVSA-N 1 0 332.404 2.425 20 5 EEBDRO O=C(NC1CC1)c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377639936 467103355 /nfs/dbraw/zinc/10/33/55/467103355.db2.gz LOBIRSCYFHIDLF-HNNXBMFYSA-N 1 0 344.415 2.162 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000418603485 467134149 /nfs/dbraw/zinc/13/41/49/467134149.db2.gz NXJCGDZKDUQKCN-TZMCWYRMSA-N 1 0 332.404 2.409 20 5 EEBDRO CCOc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000427386609 467154855 /nfs/dbraw/zinc/15/48/55/467154855.db2.gz IWLJGVWTTGCYLN-HNNXBMFYSA-N 1 0 337.420 2.498 20 5 EEBDRO C[C@H]1COCCN1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413121909 467173430 /nfs/dbraw/zinc/17/34/30/467173430.db2.gz HZSVCHBKTPAFAC-VIFPVBQESA-N 1 0 334.298 2.141 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000427887347 467184604 /nfs/dbraw/zinc/18/46/04/467184604.db2.gz SKFPIXOGYGHAFZ-OCCSQVGLSA-N 1 0 343.387 2.113 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000378170220 467218148 /nfs/dbraw/zinc/21/81/48/467218148.db2.gz LQVSHKQWNNCFOL-GOEBONIOSA-N 1 0 339.823 2.279 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378236657 467237666 /nfs/dbraw/zinc/23/76/66/467237666.db2.gz PHQWLKPSNIYDOW-HZSPNIEDSA-N 1 0 333.388 2.280 20 5 EEBDRO Cc1cc(NC(=O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451571843 467261138 /nfs/dbraw/zinc/26/11/38/467261138.db2.gz QFXHJFNFKHBHBJ-CQSZACIVSA-N 1 0 344.371 2.709 20 5 EEBDRO C[NH2+]CCC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420224875 467324083 /nfs/dbraw/zinc/32/40/83/467324083.db2.gz HNNWHZIDIIPBGO-UHFFFAOYSA-N 1 0 331.376 2.471 20 5 EEBDRO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420324879 467357136 /nfs/dbraw/zinc/35/71/36/467357136.db2.gz VNYDHKHAQZYSLJ-LBPRGKRZSA-N 1 0 338.795 2.013 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429694858 467360066 /nfs/dbraw/zinc/36/00/66/467360066.db2.gz CKWZSRNHVNWJPS-HOTGVXAUSA-N 1 0 334.420 2.421 20 5 EEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434682651 467417483 /nfs/dbraw/zinc/41/74/83/467417483.db2.gz XFHDUPUMCBTXQT-GFCCVEGCSA-N 1 0 339.392 2.025 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000420595050 467431253 /nfs/dbraw/zinc/43/12/53/467431253.db2.gz FDOSYHUXRDPXJW-CYBMUJFWSA-N 1 0 332.404 2.370 20 5 EEBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000430875217 467471841 /nfs/dbraw/zinc/47/18/41/467471841.db2.gz MMMQNULJCJDEOQ-UHFFFAOYSA-N 1 0 336.436 2.421 20 5 EEBDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430974009 467484905 /nfs/dbraw/zinc/48/49/05/467484905.db2.gz ZXBHIXUPFYLHNP-NXEZZACHSA-N 1 0 345.346 2.387 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000449144678 467620656 /nfs/dbraw/zinc/62/06/56/467620656.db2.gz JNENLGHOFPKMIS-ZYHUDNBSSA-N 1 0 345.321 2.279 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449209164 467623808 /nfs/dbraw/zinc/62/38/08/467623808.db2.gz OUUSMTNKEGHZRN-HZPDHXFCSA-N 1 0 331.416 2.294 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000449233559 467625155 /nfs/dbraw/zinc/62/51/55/467625155.db2.gz MDSZNZKPZIFEFF-OCCSQVGLSA-N 1 0 326.418 2.083 20 5 EEBDRO CNc1nc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000455698065 467696225 /nfs/dbraw/zinc/69/62/25/467696225.db2.gz JPVFCPJYTFJKJQ-CYBMUJFWSA-N 1 0 337.424 2.128 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000458171393 467782207 /nfs/dbraw/zinc/78/22/07/467782207.db2.gz PVSQNNRGQPQRGL-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1c1ccc(F)cc1 ZINC000457372526 467810397 /nfs/dbraw/zinc/81/03/97/467810397.db2.gz IXCNRNKZTZZBID-ZIAGYGMSSA-N 1 0 332.335 2.019 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450301757 467821875 /nfs/dbraw/zinc/82/18/75/467821875.db2.gz GECLGYPCYQJKBQ-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450797681 467909888 /nfs/dbraw/zinc/90/98/88/467909888.db2.gz USAWTELPAUSEJJ-RNCFNFMXSA-N 1 0 326.194 2.498 20 5 EEBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642133 467944741 /nfs/dbraw/zinc/94/47/41/467944741.db2.gz MPEKJWJCYIYEGM-HUUCEWRRSA-N 1 0 349.431 2.315 20 5 EEBDRO O=C([C@H]1CC12CC[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000517378164 468083929 /nfs/dbraw/zinc/08/39/29/468083929.db2.gz PWBKREYBJLDEJH-MRXNPFEDSA-N 1 0 329.400 2.476 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000589495369 468156716 /nfs/dbraw/zinc/15/67/16/468156716.db2.gz RVKQXFLERVDOLH-UHFFFAOYSA-N 1 0 335.404 2.155 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000533447441 468201091 /nfs/dbraw/zinc/20/10/91/468201091.db2.gz BBAJFHYUMXTCMY-UHFFFAOYSA-N 1 0 327.768 2.298 20 5 EEBDRO CC(C)([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000590019605 468206761 /nfs/dbraw/zinc/20/67/61/468206761.db2.gz ZCGQUNBNWBZMSD-GFCCVEGCSA-N 1 0 326.418 2.244 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)ccnc21 ZINC000590079872 468212493 /nfs/dbraw/zinc/21/24/93/468212493.db2.gz VJCFGSKHKKCQQP-DOTOQJQBSA-N 1 0 342.399 2.178 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590403775 468246776 /nfs/dbraw/zinc/24/67/76/468246776.db2.gz NVMBGNWAWOBJHZ-ABAIWWIYSA-N 1 0 332.404 2.334 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594195350 468508643 /nfs/dbraw/zinc/50/86/43/468508643.db2.gz FZRZICZNPDJQCF-WBVHZDCISA-N 1 0 347.415 2.415 20 5 EEBDRO CC(C)c1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000591742180 468513196 /nfs/dbraw/zinc/51/31/96/468513196.db2.gz HGFBEBOSPBKPOO-ZDUSSCGKSA-N 1 0 335.360 2.236 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000594390318 468569905 /nfs/dbraw/zinc/56/99/05/468569905.db2.gz UWJVBWSBMVCTSK-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597696073 468642434 /nfs/dbraw/zinc/64/24/34/468642434.db2.gz BDNJMMKFAQLAOX-ZBEGNZNMSA-N 1 0 343.387 2.150 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253617 468665438 /nfs/dbraw/zinc/66/54/38/468665438.db2.gz KIYUOCMLJOHRCV-CABCVRRESA-N 1 0 347.415 2.455 20 5 EEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1[NH3+] ZINC000592332252 468679190 /nfs/dbraw/zinc/67/91/90/468679190.db2.gz INNBGCPWAIRCBZ-FZMZJTMJSA-N 1 0 328.372 2.342 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854422 468694402 /nfs/dbraw/zinc/69/44/02/468694402.db2.gz HPLDUBHHNPUOIY-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000559559176 468745204 /nfs/dbraw/zinc/74/52/04/468745204.db2.gz AMNSSXJXLRHTIO-CQSZACIVSA-N 1 0 334.420 2.467 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000595036308 468747244 /nfs/dbraw/zinc/74/72/44/468747244.db2.gz QSXQJEOWQJSDPQ-NSHDSACASA-N 1 0 342.417 2.079 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595093306 468757182 /nfs/dbraw/zinc/75/71/82/468757182.db2.gz ZFSMAQVRMLGMLP-JSGCOSHPSA-N 1 0 335.404 2.310 20 5 EEBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829731 468798341 /nfs/dbraw/zinc/79/83/41/468798341.db2.gz XBCQQSXLZRVQLG-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598262851 468811126 /nfs/dbraw/zinc/81/11/26/468811126.db2.gz MSTXTUHWCUDKPJ-OAHLLOKOSA-N 1 0 348.447 2.268 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000598343875 468837738 /nfs/dbraw/zinc/83/77/38/468837738.db2.gz XDVPUYRBLFYLNA-LBPRGKRZSA-N 1 0 328.372 2.357 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058778 468855851 /nfs/dbraw/zinc/85/58/51/468855851.db2.gz OJUSVFIBCMDXJD-SOUVJXGZSA-N 1 0 338.404 2.224 20 5 EEBDRO O=C(CC[N@H+](C1CC1)C1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595534192 468890177 /nfs/dbraw/zinc/89/01/77/468890177.db2.gz QNOMWCRNOBVDGP-UHFFFAOYSA-N 1 0 333.388 2.303 20 5 EEBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598558820 468912354 /nfs/dbraw/zinc/91/23/54/468912354.db2.gz DOCZSCIXEGDZEX-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO COC(=O)c1ccnc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598606741 468930218 /nfs/dbraw/zinc/93/02/18/468930218.db2.gz JQIKWMTYODHIIE-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682097 468957771 /nfs/dbraw/zinc/95/77/71/468957771.db2.gz LLCFSEQZKMWJJS-GUYCJALGSA-N 1 0 332.404 2.045 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000602640167 468982229 /nfs/dbraw/zinc/98/22/29/468982229.db2.gz WCFMWHYYJYZVHF-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593494038 469004514 /nfs/dbraw/zinc/00/45/14/469004514.db2.gz XPRNVJVBBOYDHN-CYBMUJFWSA-N 1 0 337.395 2.467 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791917 469012140 /nfs/dbraw/zinc/01/21/40/469012140.db2.gz YCZQMWSRFJDYJQ-NVXWUHKLSA-N 1 0 347.415 2.475 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000598914018 469048459 /nfs/dbraw/zinc/04/84/59/469048459.db2.gz VKUWBERHNXDEPL-CZUORRHYSA-N 1 0 348.403 2.345 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1O ZINC000598989068 469077273 /nfs/dbraw/zinc/07/72/73/469077273.db2.gz ZLVKBQVTDLQXGC-NSHDSACASA-N 1 0 345.346 2.128 20 5 EEBDRO COc1cc(C[NH+]2CCC([C@H](C)CO)CC2)c([N+](=O)[O-])cc1OC ZINC000593677323 469091334 /nfs/dbraw/zinc/09/13/34/469091334.db2.gz YSIZPZALCQOCSZ-GFCCVEGCSA-N 1 0 338.404 2.452 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000602819523 469095836 /nfs/dbraw/zinc/09/58/36/469095836.db2.gz STEZWEBIYYHUFE-UHFFFAOYSA-N 1 0 345.403 2.347 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593729682 469113022 /nfs/dbraw/zinc/11/30/22/469113022.db2.gz IFZCAUPRTLYTLK-QGZVFWFLSA-N 1 0 335.379 2.221 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611091716 469158061 /nfs/dbraw/zinc/15/80/61/469158061.db2.gz BYQCWTJBTZKEJU-CYBMUJFWSA-N 1 0 334.420 2.258 20 5 EEBDRO CC1(C)CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC(C)(C)[NH2+]1 ZINC000588738218 469161027 /nfs/dbraw/zinc/16/10/27/469161027.db2.gz PHXVGNDWBPINLA-UHFFFAOYSA-N 1 0 349.387 2.363 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2)CC1 ZINC000611178063 469183099 /nfs/dbraw/zinc/18/30/99/469183099.db2.gz QJZMVTFAKSASDD-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO CSc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000596247655 469220594 /nfs/dbraw/zinc/22/05/94/469220594.db2.gz KNRBSJAYVDJBHF-AWEZNQCLSA-N 1 0 347.444 3.009 20 5 EEBDRO Cc1cc(N2CCC(CO)([NH2+]C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000596251702 469221781 /nfs/dbraw/zinc/22/17/81/469221781.db2.gz WVOUJEYYUXHIOW-UHFFFAOYSA-N 1 0 325.384 2.372 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000596254712 469222366 /nfs/dbraw/zinc/22/23/66/469222366.db2.gz RREINCHFUUQWGI-UHFFFAOYSA-N 1 0 325.384 2.311 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000611404324 469242352 /nfs/dbraw/zinc/24/23/52/469242352.db2.gz TVGOKVNYTXGUDJ-OLZOCXBDSA-N 1 0 326.418 2.379 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602430067 469312585 /nfs/dbraw/zinc/31/25/85/469312585.db2.gz VHHABVPLCHYSSG-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO COCCOCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602521839 469349108 /nfs/dbraw/zinc/34/91/08/469349108.db2.gz SKWYSFCMXOFEIF-UHFFFAOYSA-N 1 0 339.211 2.171 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000616014432 469353772 /nfs/dbraw/zinc/35/37/72/469353772.db2.gz VISAUQUPSWOEFL-DOTOQJQBSA-N 1 0 337.395 2.467 20 5 EEBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602545631 469355550 /nfs/dbraw/zinc/35/55/50/469355550.db2.gz HLOVOFVSPPPUGG-CYBMUJFWSA-N 1 0 336.310 2.491 20 5 EEBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551683 469358066 /nfs/dbraw/zinc/35/80/66/469358066.db2.gz PMAKRAZWLOPTDE-GFCCVEGCSA-N 1 0 344.419 2.351 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595967 469376932 /nfs/dbraw/zinc/37/69/32/469376932.db2.gz KPUCTDDMOGVADT-PSASIEDQSA-N 1 0 329.809 2.288 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000616326001 469424361 /nfs/dbraw/zinc/42/43/61/469424361.db2.gz MYUNJICCUODSCW-AWEZNQCLSA-N 1 0 333.388 2.126 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000604185801 469461797 /nfs/dbraw/zinc/46/17/97/469461797.db2.gz OLYAEZFROVCPKM-CYBMUJFWSA-N 1 0 334.420 2.488 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532708 469488015 /nfs/dbraw/zinc/48/80/15/469488015.db2.gz VGNSFXBZFWMCNH-ZDUSSCGKSA-N 1 0 335.404 2.186 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619818361 469686752 /nfs/dbraw/zinc/68/67/52/469686752.db2.gz VLIJSGSVYOEJSG-INIZCTEOSA-N 1 0 334.420 2.263 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609382322 469923124 /nfs/dbraw/zinc/92/31/24/469923124.db2.gz ANSIECWPRUGMDS-HNNXBMFYSA-N 1 0 344.415 2.383 20 5 EEBDRO COC[C@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609600467 469946564 /nfs/dbraw/zinc/94/65/64/469946564.db2.gz FCWCDQDLTYAHHW-OAHLLOKOSA-N 1 0 337.401 2.205 20 5 EEBDRO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610028160 469975598 /nfs/dbraw/zinc/97/55/98/469975598.db2.gz XXYUKGXWLSLEHU-CYBMUJFWSA-N 1 0 334.420 2.467 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000602539457 485642893 /nfs/dbraw/zinc/64/28/93/485642893.db2.gz GLENNOBDORVYPS-ZYHUDNBSSA-N 1 0 331.294 2.194 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181137016 529013351 /nfs/dbraw/zinc/01/33/51/529013351.db2.gz BNXDXWGNOSPDSL-LBPRGKRZSA-N 1 0 349.387 2.174 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000425491052 536466583 /nfs/dbraw/zinc/46/65/83/536466583.db2.gz LKFGMBOPQKTIHI-RISCZKNCSA-N 1 0 340.221 2.493 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000728775180 576525691 /nfs/dbraw/zinc/52/56/91/576525691.db2.gz UJPODVSXASKDIG-LBPRGKRZSA-N 1 0 336.369 2.132 20 5 EEBDRO COCCOc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677952 577116009 /nfs/dbraw/zinc/11/60/09/577116009.db2.gz CSMJPAMPEOVPJD-SFHVURJKSA-N 1 0 346.383 2.443 20 5 EEBDRO CC[C@@H](C)C[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732183405 577153813 /nfs/dbraw/zinc/15/38/13/577153813.db2.gz PBVVEWVGFWYLMR-GFCCVEGCSA-N 1 0 334.376 2.299 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000733300087 577221052 /nfs/dbraw/zinc/22/10/52/577221052.db2.gz LYRWSGRCGSDXAY-UHFFFAOYSA-N 1 0 346.431 2.454 20 5 EEBDRO CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000772576265 577283387 /nfs/dbraw/zinc/28/33/87/577283387.db2.gz DLCVPBQBWUPPGU-CHWSQXEVSA-N 1 0 347.444 2.259 20 5 EEBDRO CC(C)CNC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574458 577462819 /nfs/dbraw/zinc/46/28/19/577462819.db2.gz HUDJCGDGJIUGMD-KRWDZBQOSA-N 1 0 349.431 2.112 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC(C)(C)C ZINC000765422598 577500698 /nfs/dbraw/zinc/50/06/98/577500698.db2.gz AIRSNHSILQGCIF-ZDUSSCGKSA-N 1 0 348.447 2.456 20 5 EEBDRO NC(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000766028495 577511397 /nfs/dbraw/zinc/51/13/97/577511397.db2.gz NPHUOQIMTIZUHA-UHFFFAOYSA-N 1 0 346.431 2.199 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000770135592 577590980 /nfs/dbraw/zinc/59/09/80/577590980.db2.gz VWJAGSLFOOMNJI-GHMZBOCLSA-N 1 0 336.417 2.096 20 5 EEBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000760458479 577663163 /nfs/dbraw/zinc/66/31/63/577663163.db2.gz LWMLOKJIAUFORK-UHFFFAOYSA-N 1 0 328.376 2.270 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000754372714 577805190 /nfs/dbraw/zinc/80/51/90/577805190.db2.gz IIZXOIAMJWZSKB-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000755170492 577821113 /nfs/dbraw/zinc/82/11/13/577821113.db2.gz SEJBDZHTVZTSHS-ZUZCIYMTSA-N 1 0 325.340 2.220 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000755921887 577834430 /nfs/dbraw/zinc/83/44/30/577834430.db2.gz VJAPLTRZVSDTBV-CQSZACIVSA-N 1 0 329.404 2.411 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000756281919 577841413 /nfs/dbraw/zinc/84/14/13/577841413.db2.gz VNHMFSPCOBLHGF-UHFFFAOYSA-N 1 0 341.383 2.131 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000748432859 577961597 /nfs/dbraw/zinc/96/15/97/577961597.db2.gz CQCKEJHPBHBBJF-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749646785 577979401 /nfs/dbraw/zinc/97/94/01/577979401.db2.gz LQTCQMPZGQOHKY-HNNXBMFYSA-N 1 0 332.356 2.435 20 5 EEBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CCCC1 ZINC000749950825 577984413 /nfs/dbraw/zinc/98/44/13/577984413.db2.gz WZHFHLQYJGHYBS-UHFFFAOYSA-N 1 0 333.392 2.496 20 5 EEBDRO CN(CC(F)F)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750110278 577987237 /nfs/dbraw/zinc/98/72/37/577987237.db2.gz ZZNCYILVOZWPTB-OAHLLOKOSA-N 1 0 343.374 2.290 20 5 EEBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742149688 578127973 /nfs/dbraw/zinc/12/79/73/578127973.db2.gz MAMWFGTXQMVTAA-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000741951774 578226706 /nfs/dbraw/zinc/22/67/06/578226706.db2.gz ZNIQOSVVNXDXEG-UHFFFAOYSA-N 1 0 338.364 2.225 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826282878 608554102 /nfs/dbraw/zinc/55/41/02/608554102.db2.gz DVWNPUAUUVVHQE-NSHDSACASA-N 1 0 339.359 2.329 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(C)C ZINC000102481109 679803251 /nfs/dbraw/zinc/80/32/51/679803251.db2.gz KUDUXOODKOMSQD-UHFFFAOYSA-N 1 0 338.364 2.272 20 5 EEBDRO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000894333955 682516241 /nfs/dbraw/zinc/51/62/41/682516241.db2.gz WWOLVIASCJRIRM-ZDUSSCGKSA-N 1 0 334.420 2.482 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000894611290 682994523 /nfs/dbraw/zinc/99/45/23/682994523.db2.gz NURWQGWSNRCRNQ-UHFFFAOYSA-N 1 0 331.376 2.346 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1(F)CCCC1 ZINC001025838301 683337662 /nfs/dbraw/zinc/33/76/62/683337662.db2.gz QUQBNFGUHSVFLI-FOLVSLTJSA-N 1 0 347.390 2.424 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000893139418 683846567 /nfs/dbraw/zinc/84/65/67/683846567.db2.gz MLVYPWGCKNGEPB-UHFFFAOYSA-N 1 0 345.403 2.201 20 5 EEBDRO CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001059703266 688365441 /nfs/dbraw/zinc/36/54/41/688365441.db2.gz XGLKDTXOFVQDOT-IYBDPMFKSA-N 1 0 346.431 2.386 20 5 EEBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000991055541 694466768 /nfs/dbraw/zinc/46/67/68/694466768.db2.gz KCTRUTJUUONOKW-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO CC(C)(CCC(=O)OCC[NH+]1CC(C)(C)OC(C)(C)C1)[N+](=O)[O-] ZINC000893478879 692234171 /nfs/dbraw/zinc/23/41/71/692234171.db2.gz RVHFSUVRCBQECI-UHFFFAOYSA-N 1 0 330.425 2.255 20 5 EEBDRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905246737 694578409 /nfs/dbraw/zinc/57/84/09/694578409.db2.gz GIMZBIVANDLVBQ-SNVBAGLBSA-N 1 0 348.184 2.479 20 5 EEBDRO CN(C(=O)c1cocn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005163340 1194641793 /nfs/dbraw/zinc/64/17/93/1194641793.db2.gz SFHAWKUTAGKSEB-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000864602527 1197829634 /nfs/dbraw/zinc/82/96/34/1197829634.db2.gz QUPQTBQCDXBEMV-UHFFFAOYSA-N 1 0 344.346 2.020 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)CC1 ZINC000865642408 1198312180 /nfs/dbraw/zinc/31/21/80/1198312180.db2.gz VXMSRINCHYLBNX-CYBMUJFWSA-N 1 0 337.395 2.394 20 5 EEBDRO O=C1N=NCN1C1CC[NH+](CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000813328971 1198963982 /nfs/dbraw/zinc/96/39/82/1198963982.db2.gz WABGKIUSHKMTEF-HWKANZROSA-N 1 0 329.360 2.242 20 5 EEBDRO O=C(CC(F)(F)C(F)F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133886017 1199154688 /nfs/dbraw/zinc/15/46/88/1199154688.db2.gz GMTDPUJHCURBCO-UHFFFAOYSA-N 1 0 337.273 2.091 20 5 EEBDRO COc1ccc(F)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132096237 1199286697 /nfs/dbraw/zinc/28/66/97/1199286697.db2.gz BHIUFIINKZLFOW-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000876515262 1199653909 /nfs/dbraw/zinc/65/39/09/1199653909.db2.gz ZQGBEUAHIFDRQY-UHFFFAOYSA-N 1 0 332.404 2.201 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1 ZINC000876965765 1199831772 /nfs/dbraw/zinc/83/17/72/1199831772.db2.gz JWOVLOMYNVLXKP-MRXNPFEDSA-N 1 0 334.347 2.306 20 5 EEBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877830186 1200134635 /nfs/dbraw/zinc/13/46/35/1200134635.db2.gz DQBFOBRPBBCUET-DTZQCDIJSA-N 1 0 340.445 2.109 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCOCC1 ZINC000866340858 1201496195 /nfs/dbraw/zinc/49/61/95/1201496195.db2.gz UEHXYJVCHDRIGN-MLGOLLRUSA-N 1 0 340.395 2.432 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(F)(F)F ZINC000866465784 1201525097 /nfs/dbraw/zinc/52/50/97/1201525097.db2.gz VHCZUDPJVLPYDT-QMTHXVAHSA-N 1 0 347.337 2.465 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000868763251 1201874642 /nfs/dbraw/zinc/87/46/42/1201874642.db2.gz GDFWJNVFMKVAAI-UHFFFAOYSA-N 1 0 335.379 2.410 20 5 EEBDRO O=C1NCCN1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000886324455 1202492518 /nfs/dbraw/zinc/49/25/18/1202492518.db2.gz RMOZHRYSGQPSEJ-UHFFFAOYSA-N 1 0 346.412 2.438 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095574566 1205879196 /nfs/dbraw/zinc/87/91/96/1205879196.db2.gz AMZHEQZQSQRIHE-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931047105 1206602777 /nfs/dbraw/zinc/60/27/77/1206602777.db2.gz XPIUQEQAKLKTFG-GWCFXTLKSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934237575 1207928565 /nfs/dbraw/zinc/92/85/65/1207928565.db2.gz ZGCJACGQRHTATA-ZDUSSCGKSA-N 1 0 340.383 2.100 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159090116 1208428800 /nfs/dbraw/zinc/42/88/00/1208428800.db2.gz PABHTEWCCOXDIP-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000077164963 1209697882 /nfs/dbraw/zinc/69/78/82/1209697882.db2.gz LIRKKHPDJWGNEC-HNNXBMFYSA-N 1 0 329.404 2.345 20 5 EEBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001111309419 1210105942 /nfs/dbraw/zinc/10/59/42/1210105942.db2.gz NCWNOTXNKNRDLW-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796091643 1215292921 /nfs/dbraw/zinc/29/29/21/1215292921.db2.gz BVMVTKDJFVREDH-UHFFFAOYSA-N 1 0 347.462 2.153 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000722191704 1277789143 /nfs/dbraw/zinc/78/91/43/1277789143.db2.gz XBVLPFFVGHBFCH-QMMMGPOBSA-N 1 0 330.182 2.085 20 5 EEBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801870157 1236327221 /nfs/dbraw/zinc/32/72/21/1236327221.db2.gz RSCRRJDXOXKZJL-UHFFFAOYSA-N 1 0 344.371 2.244 20 5 EEBDRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000801874576 1236335444 /nfs/dbraw/zinc/33/54/44/1236335444.db2.gz GWFCNCQJYMHEEX-UHFFFAOYSA-N 1 0 332.356 2.195 20 5 EEBDRO O=C(CC1CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048639855 1238162610 /nfs/dbraw/zinc/16/26/10/1238162610.db2.gz JYZWLWOVNODBEE-IYBDPMFKSA-N 1 0 329.400 2.285 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)c1 ZINC001056062933 1238662983 /nfs/dbraw/zinc/66/29/83/1238662983.db2.gz YQQIUAWAHKLBJX-UHFFFAOYSA-N 1 0 346.431 2.036 20 5 EEBDRO Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050325703 1243351634 /nfs/dbraw/zinc/35/16/34/1243351634.db2.gz LEFCJDQGSXKSQH-VDHUWJSZSA-N 1 0 345.443 2.425 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101707039 1246154332 /nfs/dbraw/zinc/15/43/32/1246154332.db2.gz YFUKBYUFZFDSOO-UHFFFAOYSA-N 1 0 343.387 2.240 20 5 EEBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CCC1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264974 1247934041 /nfs/dbraw/zinc/93/40/41/1247934041.db2.gz YCUKIZGIIGQVIJ-IAGOWNOFSA-N 1 0 329.400 2.084 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000155904184 1279723474 /nfs/dbraw/zinc/72/34/74/1279723474.db2.gz NQRHMIHHRBOKLP-CQSZACIVSA-N 1 0 337.423 2.269 20 5 EEBDRO CNC(=O)CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000853116148 1292287647 /nfs/dbraw/zinc/28/76/47/1292287647.db2.gz HEXDBTGRZXIWFO-MRXNPFEDSA-N 1 0 349.431 2.304 20 5 EEBDRO C[C@@]1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000853316378 1292352036 /nfs/dbraw/zinc/35/20/36/1292352036.db2.gz OSWDVMKMSJSQOQ-GFCCVEGCSA-N 1 0 343.181 2.231 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000853656940 1292433813 /nfs/dbraw/zinc/43/38/13/1292433813.db2.gz HNAVJHVFBFGOKL-UHFFFAOYSA-N 1 0 329.347 2.202 20 5 EEBDRO CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861892872 1295582779 /nfs/dbraw/zinc/58/27/79/1295582779.db2.gz VSAPEMAAYYRRLF-UHFFFAOYSA-N 1 0 349.416 2.156 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001072724667 1296054561 /nfs/dbraw/zinc/05/45/61/1296054561.db2.gz ARRPBILHPVQLGJ-HZPDHXFCSA-N 1 0 333.432 2.076 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000863587680 1296346800 /nfs/dbraw/zinc/34/68/00/1296346800.db2.gz RHJCGJSYICGYHH-ZFWWWQNUSA-N 1 0 336.779 2.083 20 5 EEBDRO CC(C)OC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886729055 1296689413 /nfs/dbraw/zinc/68/94/13/1296689413.db2.gz ZDFJXMCMJRZIDT-INIZCTEOSA-N 1 0 336.388 2.292 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]21 ZINC000931276965 1297128576 /nfs/dbraw/zinc/12/85/76/1297128576.db2.gz MSSFLOOALKIHOD-MSRIBSCDSA-N 1 0 340.221 2.349 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)[nH]1 ZINC001218096152 1297570202 /nfs/dbraw/zinc/57/02/02/1297570202.db2.gz STPKECWQZYTDKJ-CJNGLKHVSA-N 1 0 330.344 2.155 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1CN(Cc1ccccc1)C2 ZINC001226622039 1301482409 /nfs/dbraw/zinc/48/24/09/1301482409.db2.gz FYQCZTAGEZDLOH-CQSZACIVSA-O 1 0 343.451 2.172 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229085675 1302604802 /nfs/dbraw/zinc/60/48/02/1302604802.db2.gz GVJAEFAXMDPJTF-LLVKDONJSA-N 1 0 345.193 2.457 20 5 EEBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)C1 ZINC001229938466 1302992399 /nfs/dbraw/zinc/99/23/99/1302992399.db2.gz ITKBIMTUCZBDRJ-JTQLQIEISA-N 1 0 326.324 2.384 20 5 EEBDRO C[NH+]1CCC2(CC[C@@H](COc3cc4n[nH]cc4cc3[N+](=O)[O-])O2)CC1 ZINC001230593831 1303301071 /nfs/dbraw/zinc/30/10/71/1303301071.db2.gz BRTDIBKQIRSVNN-ZDUSSCGKSA-N 1 0 346.387 2.493 20 5 EEBDRO CC[N@H+](CCc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784172276 1304430054 /nfs/dbraw/zinc/43/00/54/1304430054.db2.gz AHJPMBUNAGPZLX-INIZCTEOSA-N 1 0 345.399 2.294 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C1 ZINC001116147154 1305858478 /nfs/dbraw/zinc/85/84/78/1305858478.db2.gz KZLSDSHRSZKLQW-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001120556278 1309609258 /nfs/dbraw/zinc/60/92/58/1309609258.db2.gz UHQFQLGVTGOFKP-INIZCTEOSA-N 1 0 346.383 2.271 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C1 ZINC001121297779 1309973647 /nfs/dbraw/zinc/97/36/47/1309973647.db2.gz SFZSYPVUAVLESC-LBPRGKRZSA-N 1 0 348.407 2.151 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@H](C)NC3)CC2)ccc1[N+](=O)[O-] ZINC001246079314 1310232403 /nfs/dbraw/zinc/23/24/03/1310232403.db2.gz JTDNTTPHRHXYKR-ZFWWWQNUSA-N 1 0 348.447 2.302 20 5 EEBDRO O=[N+]([O-])c1ccccc1Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247576850 1310639602 /nfs/dbraw/zinc/63/96/02/1310639602.db2.gz JVBPGHICWWNGKD-UHFFFAOYSA-N 1 0 337.339 2.276 20 5 EEBDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841763627 1315609910 /nfs/dbraw/zinc/60/99/10/1315609910.db2.gz OHILQMPVCGYFTJ-LBPRGKRZSA-N 1 0 337.420 2.395 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842335046 1315687179 /nfs/dbraw/zinc/68/71/79/1315687179.db2.gz IQMBRWIQHYWZLB-MMTVNHQJSA-N 1 0 336.363 2.370 20 5 EEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842869755 1315788128 /nfs/dbraw/zinc/78/81/28/1315788128.db2.gz QMRFGRCLHYFWPK-SECBINFHSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000843099765 1315841740 /nfs/dbraw/zinc/84/17/40/1315841740.db2.gz FTXYAJNGQFNPRG-MORSLUCNSA-N 1 0 330.384 2.210 20 5 EEBDRO [NH3+]CC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCCC1 ZINC000843183967 1315861359 /nfs/dbraw/zinc/86/13/59/1315861359.db2.gz BASJYDGMJVVJQA-UHFFFAOYSA-N 1 0 331.376 2.403 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346147 1315895314 /nfs/dbraw/zinc/89/53/14/1315895314.db2.gz MGDNOHFKXATMNK-IAQYHMDHSA-N 1 0 338.383 2.264 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000843353902 1315898330 /nfs/dbraw/zinc/89/83/30/1315898330.db2.gz QFZGGTOMEXDMJQ-HZMBPMFUSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843356045 1315898880 /nfs/dbraw/zinc/89/88/80/1315898880.db2.gz PKTHSLFANNGHDF-AWEZNQCLSA-N 1 0 328.800 2.150 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000843472201 1315920140 /nfs/dbraw/zinc/92/01/40/1315920140.db2.gz XDPDWCOFCRMTCM-PSASIEDQSA-N 1 0 329.759 2.187 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508530 1315926059 /nfs/dbraw/zinc/92/60/59/1315926059.db2.gz WAZCZSVAZVWRFR-GFCCVEGCSA-N 1 0 332.404 2.065 20 5 EEBDRO Cc1noc(C)c1CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150619254 1316318382 /nfs/dbraw/zinc/31/83/82/1316318382.db2.gz GGTREDVTHFWUIO-UHFFFAOYSA-N 1 0 346.387 2.038 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001152311039 1316656069 /nfs/dbraw/zinc/65/60/69/1316656069.db2.gz REBBIDVBHMAPAF-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155562441 1317653825 /nfs/dbraw/zinc/65/38/25/1317653825.db2.gz UMQBKQVUVPLHTL-MRVPVSSYSA-N 1 0 326.765 2.200 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc2[nH]ccc21 ZINC001155598038 1317667480 /nfs/dbraw/zinc/66/74/80/1317667480.db2.gz MYCDASGPRNZXGV-ZBEGNZNMSA-N 1 0 331.376 2.042 20 5 EEBDRO O=C(CC1CCOCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155978311 1317813130 /nfs/dbraw/zinc/81/31/30/1317813130.db2.gz FZVOLAWWCZFCHJ-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001156576544 1318082502 /nfs/dbraw/zinc/08/25/02/1318082502.db2.gz OFJYDEYUKWQZQF-UHFFFAOYSA-N 1 0 335.408 2.014 20 5 EEBDRO CC[NH+](CC)CCN1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550963 1318118867 /nfs/dbraw/zinc/11/88/67/1318118867.db2.gz UENPSZDWXZCPJX-KRWDZBQOSA-N 1 0 348.491 2.485 20 5 EEBDRO COc1ncnc2c1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254556323 1318119732 /nfs/dbraw/zinc/11/97/32/1318119732.db2.gz KMQZWUNLCNAFCG-ZDUSSCGKSA-N 1 0 342.399 2.425 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001254565462 1318121965 /nfs/dbraw/zinc/12/19/65/1318121965.db2.gz PJZJRSZPAIYJAE-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)COCc1ccccc1)C2 ZINC001254578356 1318129046 /nfs/dbraw/zinc/12/90/46/1318129046.db2.gz KHWJRTWDFQBXMV-MSOLQXFVSA-N 1 0 342.395 2.229 20 5 EEBDRO CC(C)Oc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254587648 1318135213 /nfs/dbraw/zinc/13/52/13/1318135213.db2.gz RYEPJPXAIOWGMB-CQSZACIVSA-N 1 0 328.372 2.429 20 5 EEBDRO O=C1NCCCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254604765 1318142643 /nfs/dbraw/zinc/14/26/43/1318142643.db2.gz XLTVKVTVZXCXAS-MRXNPFEDSA-N 1 0 329.400 2.054 20 5 EEBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612151 1318145617 /nfs/dbraw/zinc/14/56/17/1318145617.db2.gz VKNKWIHBVJKAJB-DLBZAZTESA-N 1 0 340.383 2.314 20 5 EEBDRO Cc1cc(N([C@H]2CC[NH2+]C2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254612459 1318145936 /nfs/dbraw/zinc/14/59/36/1318145936.db2.gz WNXWPSMPXPJXSR-IRXDYDNUSA-N 1 0 339.399 2.029 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])ns1 ZINC001157209091 1318490145 /nfs/dbraw/zinc/49/01/45/1318490145.db2.gz SVUKMMHYMCABAO-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H](C)CN(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256086635 1318644474 /nfs/dbraw/zinc/64/44/74/1318644474.db2.gz ZVXQVDROOOAAKS-ZDUSSCGKSA-N 1 0 336.436 2.112 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101522 1318647059 /nfs/dbraw/zinc/64/70/59/1318647059.db2.gz MPJDOEVRJUUWOE-AWEZNQCLSA-N 1 0 347.415 2.483 20 5 EEBDRO Cc1nc(CC[NH3+])nn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158133136 1319035368 /nfs/dbraw/zinc/03/53/68/1319035368.db2.gz WBRJXXQHKBWFAI-UHFFFAOYSA-N 1 0 332.751 2.187 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC001257903127 1319102855 /nfs/dbraw/zinc/10/28/55/1319102855.db2.gz ZRFUEESJDXKIFS-GFCCVEGCSA-N 1 0 334.380 2.058 20 5 EEBDRO Cc1cc(N(c2cc([N+](=O)[O-])ccn2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158388384 1319215956 /nfs/dbraw/zinc/21/59/56/1319215956.db2.gz QERTZSLMBQQGOW-UHFFFAOYSA-N 1 0 328.376 2.287 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160735564 1320253733 /nfs/dbraw/zinc/25/37/33/1320253733.db2.gz GVJSRFVSTCJPCS-RNFRBKRXSA-N 1 0 339.705 2.299 20 5 EEBDRO CN1CCc2c(NC[C@@]3(F)CCCC[NH2+]C3)ccc([N+](=O)[O-])c2C1 ZINC001162587491 1320905652 /nfs/dbraw/zinc/90/56/52/1320905652.db2.gz SFDSRJACPSMDLX-QGZVFWFLSA-N 1 0 336.411 2.476 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001162690473 1320931921 /nfs/dbraw/zinc/93/19/21/1320931921.db2.gz UREPYNVFOCSAOI-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)ccc12 ZINC001162959291 1320996993 /nfs/dbraw/zinc/99/69/93/1320996993.db2.gz YSYCCTGYZQKIHB-LBPRGKRZSA-N 1 0 345.403 2.432 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@@H]1CCOC13C[NH2+]C3)CCCC2 ZINC001163087485 1321031707 /nfs/dbraw/zinc/03/17/07/1321031707.db2.gz MNEAFKXUIUCEHU-CYBMUJFWSA-N 1 0 332.404 2.049 20 5 EEBDRO COc1c(F)cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163322229 1321096844 /nfs/dbraw/zinc/09/68/44/1321096844.db2.gz HDOKAVKZNFGJCS-MEBBXXQBSA-N 1 0 325.340 2.066 20 5 EEBDRO COc1cc(NCc2cccnc2C2CC[NH2+]CC2)cnc1[N+](=O)[O-] ZINC001163911789 1321246623 /nfs/dbraw/zinc/24/66/23/1321246623.db2.gz MJBDTFHNFNFXEH-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001165109313 1321456648 /nfs/dbraw/zinc/45/66/48/1321456648.db2.gz SZQTXTQNWPPUEE-CYBMUJFWSA-N 1 0 338.383 2.209 20 5 EEBDRO COCc1nn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2c1C[NH2+]C2 ZINC001165633035 1321556365 /nfs/dbraw/zinc/55/63/65/1321556365.db2.gz MDYHLSDXYOHAFH-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO CC(C)[NH+]1CCC(CNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])CC1 ZINC001166593508 1321746224 /nfs/dbraw/zinc/74/62/24/1321746224.db2.gz DJVJSOPUFFLHBW-UHFFFAOYSA-N 1 0 328.800 2.414 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261374444 1322083597 /nfs/dbraw/zinc/08/35/97/1322083597.db2.gz JXLVKLAIWVEKAN-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001261435712 1322102932 /nfs/dbraw/zinc/10/29/32/1322102932.db2.gz CNLDOXNXBVFGCI-YALNPMBYSA-N 1 0 338.452 2.450 20 5 EEBDRO C[NH+]1CCN(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001262554032 1322322029 /nfs/dbraw/zinc/32/20/29/1322322029.db2.gz QCBSYDCBVQGZFD-UHFFFAOYSA-N 1 0 332.326 2.273 20 5 EEBDRO CC(C)c1[nH]nc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320327151 1332862367 /nfs/dbraw/zinc/86/23/67/1332862367.db2.gz JWHAJDNWIAOYLQ-JTQLQIEISA-N 1 0 332.364 2.301 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001322654008 1333301198 /nfs/dbraw/zinc/30/11/98/1333301198.db2.gz NYACACWUZKZTEP-OUCADQQQSA-N 1 0 349.387 2.162 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609167043 1351872784 /nfs/dbraw/zinc/87/27/84/1351872784.db2.gz YPTBGBNXYDBGOG-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609165865 1351873117 /nfs/dbraw/zinc/87/31/17/1351873117.db2.gz ZEPXOWLCUOIDDS-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC001333667177 1336100848 /nfs/dbraw/zinc/10/08/48/1336100848.db2.gz FLKIYVDGIAKJDK-DLBZAZTESA-N 1 0 329.400 2.253 20 5 EEBDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001335651180 1336406718 /nfs/dbraw/zinc/40/67/18/1336406718.db2.gz XSOSNAPKHMSUDP-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO CN(C(=O)[C@H](Cc1ccccc1)NCC[N+](=O)[O-])c1ccccc1 ZINC001335985300 1336460592 /nfs/dbraw/zinc/46/05/92/1336460592.db2.gz BOBVLOWYEPWTRK-KRWDZBQOSA-N 1 0 327.384 2.127 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001337944213 1336760527 /nfs/dbraw/zinc/76/05/27/1336760527.db2.gz VAOIJQMYDAEGPD-PWSUYJOCSA-N 1 0 349.416 2.202 20 5 EEBDRO CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100674920 1338628678 /nfs/dbraw/zinc/62/86/78/1338628678.db2.gz FDYVWODPQSFDFB-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000848583946 1338725399 /nfs/dbraw/zinc/72/53/99/1338725399.db2.gz JOQBTRFYWSINBH-WDEREUQCSA-N 1 0 343.330 2.165 20 5 EEBDRO CCCC[N@H+](C)CC1CCN(c2nnc(C[N+](=O)[O-])n2CC)CC1 ZINC001356349676 1338818013 /nfs/dbraw/zinc/81/80/13/1338818013.db2.gz STFHMAYSTMCOBW-UHFFFAOYSA-N 1 0 338.456 2.023 20 5 EEBDRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001576016927 1343945852 /nfs/dbraw/zinc/94/58/52/1343945852.db2.gz IJQGLIKRWKEQCG-VRKREXBASA-N 1 0 346.431 2.467 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001576794486 1344062229 /nfs/dbraw/zinc/06/22/29/1344062229.db2.gz DDKXSYCIDWXAKF-STQMWFEESA-N 1 0 340.383 2.479 20 5 EEBDRO COCc1ccccc1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579093912 1344338564 /nfs/dbraw/zinc/33/85/64/1344338564.db2.gz QHODHEAFINTXJC-SFHVURJKSA-N 1 0 343.383 2.232 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC001579515846 1344390700 /nfs/dbraw/zinc/39/07/00/1344390700.db2.gz APFJNZMYWTYUCE-UHFFFAOYSA-N 1 0 342.193 2.148 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001579642390 1344402130 /nfs/dbraw/zinc/40/21/30/1344402130.db2.gz CWQDLQGPWORHGN-WHOFXGATSA-N 1 0 334.420 2.289 20 5 EEBDRO O=[N+]([O-])c1cnn(C2CC(Nc3ccc4c(c3F)CC[NH2+]C4)C2)c1 ZINC001580876148 1344567902 /nfs/dbraw/zinc/56/79/02/1344567902.db2.gz CGURSAVTWGCDBU-UHFFFAOYSA-N 1 0 331.351 2.392 20 5 EEBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590259536 1349234351 /nfs/dbraw/zinc/23/43/51/1349234351.db2.gz LCDMXGFESNUJLG-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO CCN(CCC[NH+](CC)CC)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001590687360 1349389151 /nfs/dbraw/zinc/38/91/51/1349389151.db2.gz LMAPSEKKKTZFDU-UHFFFAOYSA-N 1 0 347.423 2.333 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590731830 1349394284 /nfs/dbraw/zinc/39/42/84/1349394284.db2.gz DNGGPBNBMJFVFQ-CYBMUJFWSA-N 1 0 345.407 2.370 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2csc(-c3nn[nH]n3)c2)c1 ZINC001593482508 1349814414 /nfs/dbraw/zinc/81/44/14/1349814414.db2.gz CYDGQUUTRYZOAK-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001607081192 1351409227 /nfs/dbraw/zinc/40/92/27/1351409227.db2.gz AZMIKTLJOWIHKE-GXTWGEPZSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001607081194 1351409570 /nfs/dbraw/zinc/40/95/70/1351409570.db2.gz AZMIKTLJOWIHKE-OCCSQVGLSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001607083124 1351411085 /nfs/dbraw/zinc/41/10/85/1351411085.db2.gz XLUDMCQZAJWEJH-ZDUSSCGKSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001607084780 1351411716 /nfs/dbraw/zinc/41/17/16/1351411716.db2.gz YEKLNLJQPAPBPY-GFCCVEGCSA-N 1 0 343.391 2.204 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589102 1368041901 /nfs/dbraw/zinc/04/19/01/1368041901.db2.gz IRNUNOMTRGJLBS-IAOVAPTHSA-N 1 0 348.447 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCN(C)C(=O)CC[NH+](C)C)c1 ZINC001112164360 1371358258 /nfs/dbraw/zinc/35/82/58/1371358258.db2.gz FEPBOGNXXBQHFP-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C1 ZINC000839533488 1372908674 /nfs/dbraw/zinc/90/86/74/1372908674.db2.gz UTNQPCXNFDNLMS-IAOVAPTHSA-N 1 0 331.416 2.200 20 5 EEBDRO C[C@@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)[N@H+]1C ZINC000840090969 1372921210 /nfs/dbraw/zinc/92/12/10/1372921210.db2.gz VXSIHKOJHISJDD-OKILXGFUSA-N 1 0 329.404 2.440 20 5 EEBDRO CC(C)(C(=O)NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001343714297 1372960524 /nfs/dbraw/zinc/96/05/24/1372960524.db2.gz NCONKLBVRSXKAB-ZDUSSCGKSA-N 1 0 337.445 2.084 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000852923566 1410387171 /nfs/dbraw/zinc/38/71/71/1410387171.db2.gz RILIKTBCFBSLSS-SECBINFHSA-N 1 0 325.674 2.210 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846612228 790279676 /nfs/dbraw/zinc/27/96/76/790279676.db2.gz LJLWSCMRTNZLLF-UHFFFAOYSA-N 1 0 334.420 2.219 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(C)C ZINC000780854868 759845369 /nfs/dbraw/zinc/84/53/69/759845369.db2.gz ASFRZBLNAFGEJY-UHFFFAOYSA-N 1 0 347.412 2.051 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167753303 769548378 /nfs/dbraw/zinc/54/83/78/769548378.db2.gz GWLRRVKAOLWKNT-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001106926491 779004348 /nfs/dbraw/zinc/00/43/48/779004348.db2.gz IEKCBQAXOUSHCE-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO [NH3+]CCN(CC1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000809736468 783319063 /nfs/dbraw/zinc/31/90/63/783319063.db2.gz WGBPMWFQQCMELA-UHFFFAOYSA-N 1 0 335.404 2.293 20 5 EEBDRO CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186903 784063717 /nfs/dbraw/zinc/06/37/17/784063717.db2.gz KQIKKSJADYEZHZ-HUUCEWRRSA-N 1 0 337.464 2.402 20 5 EEBDRO CC(C)(CC(F)F)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129162923 784330691 /nfs/dbraw/zinc/33/06/91/784330691.db2.gz NEYCWIXEGZIKEX-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000817995008 785113169 /nfs/dbraw/zinc/11/31/69/785113169.db2.gz SBRQSFFSDBEFRG-SCZZXKLOSA-N 1 0 329.759 2.173 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817993227 785143093 /nfs/dbraw/zinc/14/30/93/785143093.db2.gz FBAPHYTXATYJEH-CYBMUJFWSA-N 1 0 343.786 2.434 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2c([nH]1)CCC2 ZINC001170903129 785255600 /nfs/dbraw/zinc/25/56/00/785255600.db2.gz OLCJZWQSSJDLOY-UHFFFAOYSA-N 1 0 342.399 2.321 20 5 EEBDRO CSCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819088491 785396684 /nfs/dbraw/zinc/39/66/84/785396684.db2.gz SNIIJSWJTMOOGW-LLVKDONJSA-N 1 0 332.447 2.100 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819110619 785429095 /nfs/dbraw/zinc/42/90/95/785429095.db2.gz FQOLVBCNKVDGEA-MRXNPFEDSA-N 1 0 331.328 2.369 20 5 EEBDRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190230 785455966 /nfs/dbraw/zinc/45/59/66/785455966.db2.gz IHTUWSGEBAEHDQ-ROUUACIJSA-N 1 0 327.384 2.405 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107205180 786397175 /nfs/dbraw/zinc/39/71/75/786397175.db2.gz XAWFAOAQYAAGPQ-SREVYHEPSA-N 1 0 334.420 2.329 20 5 EEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000821280734 786657577 /nfs/dbraw/zinc/65/75/77/786657577.db2.gz ZBYMEZJPWHEZMZ-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CCCC[NH+](C)C)n1 ZINC001107269494 786668929 /nfs/dbraw/zinc/66/89/29/786668929.db2.gz RALNWQGJOFOKTN-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107269604 786669445 /nfs/dbraw/zinc/66/94/45/786669445.db2.gz UBNNIIJGKGFSCV-VOTSOKGWSA-N 1 0 334.420 2.411 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000822287411 787113452 /nfs/dbraw/zinc/11/34/52/787113452.db2.gz NLROMEHKFLAYGB-ZDUSSCGKSA-N 1 0 349.431 2.129 20 5 EEBDRO C[NH+]1CCN(c2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822335103 787135550 /nfs/dbraw/zinc/13/55/50/787135550.db2.gz DWFXOYQQKWHDGU-UHFFFAOYSA-N 1 0 334.420 2.212 20 5 EEBDRO CCOC(=O)C(C)(CCCO[C@@H](C)C[N+](C)(C)C)C(=O)OCC ZINC001224879680 788343527 /nfs/dbraw/zinc/34/35/27/788343527.db2.gz OAYFLDYUQUVFNM-AWEZNQCLSA-N 1 0 332.461 2.010 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000825188848 788513346 /nfs/dbraw/zinc/51/33/46/788513346.db2.gz QHXHDZBEDYAALJ-KBPBESRZSA-N 1 0 346.431 2.442 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000923376020 789458673 /nfs/dbraw/zinc/45/86/73/789458673.db2.gz SZMYFTJSQCYGER-MSOLQXFVSA-N 1 0 327.384 2.275 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000923376024 789458927 /nfs/dbraw/zinc/45/89/27/789458927.db2.gz SZMYFTJSQCYGER-ZWKOTPCHSA-N 1 0 327.384 2.275 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1coc(C2CCC2)n1 ZINC001147096483 791699008 /nfs/dbraw/zinc/69/90/08/791699008.db2.gz NRUVCVSUDGQANP-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147182245 791748115 /nfs/dbraw/zinc/74/81/15/791748115.db2.gz RRESPRIZEKCWEA-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093977723 795866636 /nfs/dbraw/zinc/86/66/36/795866636.db2.gz PDINRMNLHXFCDW-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO CCN1C[C@@H](C)[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172921820 797152202 /nfs/dbraw/zinc/15/22/02/797152202.db2.gz UKAYMMYSJHMJPC-CJNGLKHVSA-N 1 0 331.416 2.395 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](F)C(C)(C)O)c1F ZINC001173177702 797278171 /nfs/dbraw/zinc/27/81/71/797278171.db2.gz DIBSMNFPBLWCBA-TVQRCGJNSA-N 1 0 332.347 2.372 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(C)([NH+](C)C)C2)c1F ZINC001173196807 797283450 /nfs/dbraw/zinc/28/34/50/797283450.db2.gz PBQJHUNHFIHZPV-NSHDSACASA-N 1 0 325.384 2.309 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccnn2)CC1 ZINC001173225061 797309230 /nfs/dbraw/zinc/30/92/30/797309230.db2.gz BEIYIQWQRKZUMO-CQSZACIVSA-N 1 0 327.388 2.138 20 5 EEBDRO COC(=O)C1(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173209530 797314069 /nfs/dbraw/zinc/31/40/69/797314069.db2.gz CSVPJOORSGJTSQ-CYBMUJFWSA-N 1 0 336.388 2.085 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001173237169 797322740 /nfs/dbraw/zinc/32/27/40/797322740.db2.gz IQFLXRHDJSEHGD-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000917061871 798048446 /nfs/dbraw/zinc/04/84/46/798048446.db2.gz BNNSUXUHKDYRGG-GFCCVEGCSA-N 1 0 344.415 2.383 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001168707390 799562317 /nfs/dbraw/zinc/56/23/17/799562317.db2.gz FXUNAVPSEKOPFZ-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CCO ZINC001179576501 799980777 /nfs/dbraw/zinc/98/07/77/799980777.db2.gz IWRADZWBDUXNRB-UHFFFAOYSA-N 1 0 325.368 2.277 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnon1 ZINC001179856624 800134428 /nfs/dbraw/zinc/13/44/28/800134428.db2.gz RPGDEJFFQQPKER-UHFFFAOYSA-N 1 0 347.375 2.058 20 5 EEBDRO Cc1cncn1CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110279344 801117785 /nfs/dbraw/zinc/11/77/85/801117785.db2.gz CGEYTEZSDPZADL-UHFFFAOYSA-N 1 0 343.387 2.169 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC001110319029 801264075 /nfs/dbraw/zinc/26/40/75/801264075.db2.gz JTCFYGPXMFPDAU-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO Cc1ncoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086055805 802025846 /nfs/dbraw/zinc/02/58/46/802025846.db2.gz LQUFHIUJPCGOHH-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984275 803548061 /nfs/dbraw/zinc/54/80/61/803548061.db2.gz LPCHEFHRFIHCKR-XUXIUFHCSA-N 1 0 327.425 2.467 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964201 803551996 /nfs/dbraw/zinc/55/19/96/803551996.db2.gz RTTKWOHKWQGIAU-XUXIUFHCSA-N 1 0 327.425 2.277 20 5 EEBDRO COc1cccc(Cn2cnc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2)c1 ZINC001168998803 803564003 /nfs/dbraw/zinc/56/40/03/803564003.db2.gz QFPKUPIFOSFNTI-HZPDHXFCSA-N 1 0 344.415 2.475 20 5 EEBDRO COc1ccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001169000591 803566196 /nfs/dbraw/zinc/56/61/96/803566196.db2.gz XWEYKIOJQIDDSV-CABCVRRESA-N 1 0 349.431 2.173 20 5 EEBDRO COc1ccccc1CN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030275 803577376 /nfs/dbraw/zinc/57/73/76/803577376.db2.gz XUEHQYLRRSALCJ-DOTOQJQBSA-N 1 0 333.432 2.258 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039761 803582729 /nfs/dbraw/zinc/58/27/29/803582729.db2.gz SXVKPNFXNTZJKV-GJZGRUSLSA-N 1 0 334.420 2.048 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001169043758 803584845 /nfs/dbraw/zinc/58/48/45/803584845.db2.gz HNSKPFKEQCUNJC-ZFWWWQNUSA-N 1 0 349.406 2.465 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccccc1 ZINC001169019214 803587999 /nfs/dbraw/zinc/58/79/99/803587999.db2.gz FSPVTGBEXZHKGW-OTRWWLKZSA-N 1 0 329.400 2.027 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026562 803592379 /nfs/dbraw/zinc/59/23/79/803592379.db2.gz MMZXCRFFFBRXHI-ZIAGYGMSSA-N 1 0 330.388 2.395 20 5 EEBDRO CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)C[C@](C)(C[NH3+])C1 ZINC001169137983 803630277 /nfs/dbraw/zinc/63/02/77/803630277.db2.gz NHRGGTLDDHSPDB-QFYYESIMSA-N 1 0 335.408 2.044 20 5 EEBDRO Cc1c(NCc2ncn3c2C[NH2+]CCC3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169242046 803666179 /nfs/dbraw/zinc/66/61/79/803666179.db2.gz FXPXWBFYWIXWTD-UHFFFAOYSA-N 1 0 346.347 2.113 20 5 EEBDRO COc1c(F)cc(NCc2ncn3c2C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001169242522 803666797 /nfs/dbraw/zinc/66/67/97/803666797.db2.gz NOOYNOWVEOLQOB-UHFFFAOYSA-N 1 0 335.339 2.044 20 5 EEBDRO CCOc1cc(NCc2ncn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001169243492 803667013 /nfs/dbraw/zinc/66/70/13/803667013.db2.gz LDEGCFGOIMMAPA-UHFFFAOYSA-N 1 0 331.376 2.295 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109463345 805502971 /nfs/dbraw/zinc/50/29/71/805502971.db2.gz CELQUASELJDTSR-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO CC(C)(C)c1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001130732251 811978893 /nfs/dbraw/zinc/97/88/93/811978893.db2.gz HFGFJKAVFJUNMX-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO Cc1cncc(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001131135989 812426700 /nfs/dbraw/zinc/42/67/00/812426700.db2.gz QDCHLXMVRNSHHK-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000808131846 812466926 /nfs/dbraw/zinc/46/69/26/812466926.db2.gz WZLMAXDNYMSVCO-UHFFFAOYSA-N 1 0 337.449 2.500 20 5 EEBDRO Cc1csc(CCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001131374462 812752126 /nfs/dbraw/zinc/75/21/26/812752126.db2.gz BBEDDJURCXILJV-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)cn1 ZINC000808707162 812815202 /nfs/dbraw/zinc/81/52/02/812815202.db2.gz GCPDGXWGAPLFJK-KRWDZBQOSA-N 1 0 342.399 2.236 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000054647824 214247225 /nfs/dbraw/zinc/24/72/25/214247225.db2.gz YZQDLYYMNNQEDR-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189674482 529431136 /nfs/dbraw/zinc/43/11/36/529431136.db2.gz JXTFMXSNBXCJMS-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000178570246 529962111 /nfs/dbraw/zinc/96/21/11/529962111.db2.gz QYJVJQNWDMPLDY-HOTGVXAUSA-N 1 0 344.367 2.400 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418788771 530004271 /nfs/dbraw/zinc/00/42/71/530004271.db2.gz KNICAFXOQRSTTH-NWANDNLSSA-N 1 0 332.404 2.124 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155052135 530064020 /nfs/dbraw/zinc/06/40/20/530064020.db2.gz ZARRWDMQFQEXIC-GJZGRUSLSA-N 1 0 347.415 2.306 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181884016 530057840 /nfs/dbraw/zinc/05/78/40/530057840.db2.gz KPSWUJUPOIXQSZ-SNVBAGLBSA-N 1 0 329.303 2.020 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000178568145 232262627 /nfs/dbraw/zinc/26/26/27/232262627.db2.gz MJEYNNXYRQAYHZ-RISCZKNCSA-N 1 0 327.344 2.022 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187902 215021179 /nfs/dbraw/zinc/02/11/79/215021179.db2.gz YRMGATYOQMURBV-INIZCTEOSA-N 1 0 332.404 2.017 20 5 EEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000103127110 219258203 /nfs/dbraw/zinc/25/82/03/219258203.db2.gz LRURFWIEOOZKLQ-UHFFFAOYSA-N 1 0 347.371 2.448 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068008127 215269130 /nfs/dbraw/zinc/26/91/30/215269130.db2.gz VTAHEORYQLNUAK-LBPRGKRZSA-N 1 0 345.403 2.465 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCC(C)CC1 ZINC000181071168 234078231 /nfs/dbraw/zinc/07/82/31/234078231.db2.gz CCCUSJFVZMBEQY-GFCCVEGCSA-N 1 0 349.387 2.174 20 5 EEBDRO Cn1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129407496 223053246 /nfs/dbraw/zinc/05/32/46/223053246.db2.gz ZYYJACROIKAXAO-KRWDZBQOSA-N 1 0 330.388 2.342 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000130011714 223112367 /nfs/dbraw/zinc/11/23/67/223112367.db2.gz QDFPUFSEVXQRIW-CQSZACIVSA-N 1 0 325.340 2.077 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130228505 223133850 /nfs/dbraw/zinc/13/38/50/223133850.db2.gz JYAGUCRKSBCXAS-UHFFFAOYSA-N 1 0 331.332 2.364 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000416308700 239175705 /nfs/dbraw/zinc/17/57/05/239175705.db2.gz RKAOVZYZYQRAMU-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424040264 240809044 /nfs/dbraw/zinc/80/90/44/240809044.db2.gz LPLSSSZBHXDELO-KRWDZBQOSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541494 242287990 /nfs/dbraw/zinc/28/79/90/242287990.db2.gz MQCOTQURUZEYJL-HUUCEWRRSA-N 1 0 332.408 2.415 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1C ZINC000236722571 242335329 /nfs/dbraw/zinc/33/53/29/242335329.db2.gz SPPFVEKIYDOKQX-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589606 242293241 /nfs/dbraw/zinc/29/32/41/242293241.db2.gz YNHPNEDQVAUFQL-STQMWFEESA-N 1 0 337.424 2.169 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245748300 243151756 /nfs/dbraw/zinc/15/17/56/243151756.db2.gz AJLHQHPZYINYST-KSYCFECVSA-N 1 0 333.388 2.469 20 5 EEBDRO CCn1cc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000451890131 243293319 /nfs/dbraw/zinc/29/33/19/243293319.db2.gz OOYPNCUPUWFFDR-BLLLJJGKSA-N 1 0 343.387 2.267 20 5 EEBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000459758453 245237186 /nfs/dbraw/zinc/23/71/86/245237186.db2.gz IAVUPVGMXACRMY-ZDUSSCGKSA-N 1 0 333.363 2.459 20 5 EEBDRO CC(C)[NH2+]C1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111837586 220203269 /nfs/dbraw/zinc/20/32/69/220203269.db2.gz HDCSNWDECVTXPP-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000112079692 220239596 /nfs/dbraw/zinc/23/95/96/220239596.db2.gz CINANIGJNPHMJQ-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493346072 246671749 /nfs/dbraw/zinc/67/17/49/246671749.db2.gz AWTGMRSHWCMQJI-KTYGHDLGSA-N 1 0 329.400 2.456 20 5 EEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000264915378 247042047 /nfs/dbraw/zinc/04/20/47/247042047.db2.gz KMQVKMBVEKTAIS-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000265024112 247141551 /nfs/dbraw/zinc/14/15/51/247141551.db2.gz FJQOOYPKYCFAJD-GFCCVEGCSA-N 1 0 331.376 2.107 20 5 EEBDRO Cc1ccnc(NCc2cccnc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265194894 247287814 /nfs/dbraw/zinc/28/78/14/247287814.db2.gz LSXQQNPRGPSLPK-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253624 218130423 /nfs/dbraw/zinc/13/04/23/218130423.db2.gz SZTRPGYOEWMWBW-ZDUSSCGKSA-N 1 0 337.420 2.386 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261653957 285085322 /nfs/dbraw/zinc/08/53/22/285085322.db2.gz JXJZTJCNMUJOPE-LBPRGKRZSA-N 1 0 344.337 2.098 20 5 EEBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153525955 224117707 /nfs/dbraw/zinc/11/77/07/224117707.db2.gz NVKDYQUMYQTXNY-CQSZACIVSA-N 1 0 332.404 2.335 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000270800619 256173403 /nfs/dbraw/zinc/17/34/03/256173403.db2.gz CKZGUHSXSCQGNI-ZDUSSCGKSA-N 1 0 335.404 2.162 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000118994666 221219156 /nfs/dbraw/zinc/21/91/56/221219156.db2.gz USOWQWUIEXIXKT-NVXWUHKLSA-N 1 0 331.416 2.470 20 5 EEBDRO CNC(=O)[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272814644 256241480 /nfs/dbraw/zinc/24/14/80/256241480.db2.gz HPPMASKGXJCPJG-LBPRGKRZSA-N 1 0 328.372 2.414 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000272824283 256241876 /nfs/dbraw/zinc/24/18/76/256241876.db2.gz LOMRUYLYVCMKTJ-DGCLKSJQSA-N 1 0 334.376 2.304 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119050352 221232006 /nfs/dbraw/zinc/23/20/06/221232006.db2.gz KFGCKZSJYUQPCD-LLVKDONJSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000273066659 256262285 /nfs/dbraw/zinc/26/22/85/256262285.db2.gz ZRQHEAZTJCQOFN-QGZVFWFLSA-N 1 0 334.420 2.293 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000342900547 291993200 /nfs/dbraw/zinc/99/32/00/291993200.db2.gz JEBAEEPHUXBPHM-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332580 292143239 /nfs/dbraw/zinc/14/32/39/292143239.db2.gz IVHLRCZNXBAUQY-UHFFFAOYSA-N 1 0 343.387 2.068 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)n1 ZINC000360630828 152132369 /nfs/dbraw/zinc/13/23/69/152132369.db2.gz XQHOFRJXEFVQAL-UHFFFAOYSA-N 1 0 348.378 2.000 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262580762 152294289 /nfs/dbraw/zinc/29/42/89/152294289.db2.gz OKKRXCRTVPBYJA-WDEREUQCSA-N 1 0 341.795 2.083 20 5 EEBDRO C[N@@H+]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374306332 154043850 /nfs/dbraw/zinc/04/38/50/154043850.db2.gz DFTRNPGUTZMACY-QZTJIDSGSA-N 1 0 339.395 2.351 20 5 EEBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374322446 154050317 /nfs/dbraw/zinc/05/03/17/154050317.db2.gz DARUNCYQFVLKEX-DOTOQJQBSA-N 1 0 332.448 2.053 20 5 EEBDRO CC1CC[NH+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000130533414 292375229 /nfs/dbraw/zinc/37/52/29/292375229.db2.gz YKLCEBFCOGUBJO-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000077248989 159097522 /nfs/dbraw/zinc/09/75/22/159097522.db2.gz XRGASBWPPJDFDI-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000120906783 159396785 /nfs/dbraw/zinc/39/67/85/159396785.db2.gz JWJAHXJUKOEWRI-CYBMUJFWSA-N 1 0 331.303 2.422 20 5 EEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184674349 160014192 /nfs/dbraw/zinc/01/41/92/160014192.db2.gz TVZGPNPIASMBRY-UHFFFAOYSA-N 1 0 349.435 2.156 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2cccc(-n3ccnc3)c2)c1[N+](=O)[O-] ZINC000194109839 160191307 /nfs/dbraw/zinc/19/13/07/160191307.db2.gz FNYYPZWAKDQTEC-UHFFFAOYSA-N 1 0 326.316 2.075 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000342117727 161040828 /nfs/dbraw/zinc/04/08/28/161040828.db2.gz ZIWUMRQPDKDYKI-BYNSBNAKSA-N 1 0 346.431 2.289 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343402178 161132630 /nfs/dbraw/zinc/13/26/30/161132630.db2.gz LLGRJOYAQTZBTP-NVXWUHKLSA-N 1 0 338.404 2.129 20 5 EEBDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343629350 161152692 /nfs/dbraw/zinc/15/26/92/161152692.db2.gz UAMZDKPVQBDWHU-JKSUJKDBSA-N 1 0 333.388 2.201 20 5 EEBDRO C[N@H+](CCc1ccccc1O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344164917 161203899 /nfs/dbraw/zinc/20/38/99/161203899.db2.gz PLBBXLKAQGQZIE-MRXNPFEDSA-N 1 0 346.383 2.215 20 5 EEBDRO CNc1c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344682672 161235866 /nfs/dbraw/zinc/23/58/66/161235866.db2.gz OFIXJZPTGUPURR-CQSZACIVSA-N 1 0 334.420 2.487 20 5 EEBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344880819 161253329 /nfs/dbraw/zinc/25/33/29/161253329.db2.gz HDMKTVSWOWZQBH-CYBMUJFWSA-N 1 0 344.371 2.358 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345371994 161296249 /nfs/dbraw/zinc/29/62/49/161296249.db2.gz CRDKLHSRISXKJK-ZFWWWQNUSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345941778 161344080 /nfs/dbraw/zinc/34/40/80/161344080.db2.gz DNDINWQMYWMQLR-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345975069 161346904 /nfs/dbraw/zinc/34/69/04/161346904.db2.gz XTKOQMGHZBFTDE-KGLIPLIRSA-N 1 0 335.404 2.305 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000356272815 163387572 /nfs/dbraw/zinc/38/75/72/163387572.db2.gz DCWAMRBHPXFFRW-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358981607 164028854 /nfs/dbraw/zinc/02/88/54/164028854.db2.gz OFDBIFYVZRCIDE-SNVBAGLBSA-N 1 0 343.330 2.362 20 5 EEBDRO Cn1ccnc1N1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000364608417 165205877 /nfs/dbraw/zinc/20/58/77/165205877.db2.gz RCURQWSHROWEQZ-UHFFFAOYSA-N 1 0 347.404 2.118 20 5 EEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250665 166221712 /nfs/dbraw/zinc/22/17/12/166221712.db2.gz MDAYOTUDJZYWIL-IRXDYDNUSA-N 1 0 330.388 2.416 20 5 EEBDRO CCOc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000376055926 167252815 /nfs/dbraw/zinc/25/28/15/167252815.db2.gz SZWJWHJLWVACSQ-UHFFFAOYSA-N 1 0 347.415 2.438 20 5 EEBDRO COC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275417945 269114803 /nfs/dbraw/zinc/11/48/03/269114803.db2.gz CDQGVZGZOYQKHV-NSHDSACASA-N 1 0 325.340 2.031 20 5 EEBDRO C[C@H](CS(C)(=O)=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279620715 269294936 /nfs/dbraw/zinc/29/49/36/269294936.db2.gz YGTJXXPIVZWHMC-MRVPVSSYSA-N 1 0 340.323 2.136 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000280195423 269336900 /nfs/dbraw/zinc/33/69/00/269336900.db2.gz BCKHNQCSKQHUJM-VIFPVBQESA-N 1 0 331.319 2.025 20 5 EEBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000280268237 269345391 /nfs/dbraw/zinc/34/53/91/269345391.db2.gz CPPVDFKEURUZKW-UHFFFAOYSA-N 1 0 332.326 2.273 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000281294803 269418650 /nfs/dbraw/zinc/41/86/50/269418650.db2.gz YLOSEWPYIQVPID-UHFFFAOYSA-N 1 0 331.376 2.210 20 5 EEBDRO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554464 274021825 /nfs/dbraw/zinc/02/18/25/274021825.db2.gz ZUGLRXUVAMHHDF-HOCLYGCPSA-N 1 0 349.431 2.315 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273141747 274109029 /nfs/dbraw/zinc/10/90/29/274109029.db2.gz FELHAOMSFUIAKL-UHFFFAOYSA-N 1 0 343.387 2.106 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000279243279 274459478 /nfs/dbraw/zinc/45/94/78/274459478.db2.gz KJAHKRGWUNNUQW-CZUORRHYSA-N 1 0 335.404 2.373 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286612089 274889243 /nfs/dbraw/zinc/88/92/43/274889243.db2.gz UIGBOCWWKNIQNW-XJKSGUPXSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286967784 274922668 /nfs/dbraw/zinc/92/26/68/274922668.db2.gz GCCUGNDTFFGRRE-HOCLYGCPSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364388760 275034462 /nfs/dbraw/zinc/03/44/62/275034462.db2.gz SYGLQFHXCOLZBB-DOTOQJQBSA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccncc21 ZINC000375777084 275036436 /nfs/dbraw/zinc/03/64/36/275036436.db2.gz PXBABRTVCFNWJN-ZWKOTPCHSA-N 1 0 342.399 2.178 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000288893026 275090178 /nfs/dbraw/zinc/09/01/78/275090178.db2.gz AZCFULDVWPBUIL-HDJSIYSDSA-N 1 0 335.404 2.245 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289684171 275138896 /nfs/dbraw/zinc/13/88/96/275138896.db2.gz GNAXONNQKVBCMJ-NEPJUHHUSA-N 1 0 330.331 2.312 20 5 EEBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000291223893 275283868 /nfs/dbraw/zinc/28/38/68/275283868.db2.gz LSVATLORASYZIT-VXGBXAGGSA-N 1 0 339.392 2.287 20 5 EEBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589604 275818689 /nfs/dbraw/zinc/81/86/89/275818689.db2.gz YNHPNEDQVAUFQL-OLZOCXBDSA-N 1 0 337.424 2.169 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237102337 277277487 /nfs/dbraw/zinc/27/74/87/277277487.db2.gz FORKGUSMXHGEPS-PWSUYJOCSA-N 1 0 341.795 2.226 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000366440784 281016305 /nfs/dbraw/zinc/01/63/05/281016305.db2.gz WVRSEXCLTAQRNX-IAOVAPTHSA-N 1 0 347.415 2.227 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+](C)C ZINC000283859225 293002893 /nfs/dbraw/zinc/00/28/93/293002893.db2.gz HJZPAXKYLMLGHN-SNVBAGLBSA-N 1 0 326.372 2.022 20 5 EEBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1C ZINC000293884057 293318657 /nfs/dbraw/zinc/31/86/57/293318657.db2.gz FZCQCVQVJPRLDC-GOSISDBHSA-N 1 0 347.415 2.470 20 5 EEBDRO C[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000294554226 293484396 /nfs/dbraw/zinc/48/43/96/293484396.db2.gz YRSRFPYSDREBCH-LBPRGKRZSA-N 1 0 328.372 2.337 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297241295 294189454 /nfs/dbraw/zinc/18/94/54/294189454.db2.gz SKDDULNFUJANJJ-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO C[NH+](C)C1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000302131786 294932562 /nfs/dbraw/zinc/93/25/62/294932562.db2.gz KNBOGGZJEWUWMQ-UHFFFAOYSA-N 1 0 334.254 2.272 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000127735122 297362409 /nfs/dbraw/zinc/36/24/09/297362409.db2.gz VAZMTDZSDFKSOI-VNHYZAJKSA-N 1 0 346.431 2.169 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000307822472 311582221 /nfs/dbraw/zinc/58/22/21/311582221.db2.gz QJRPNVVXYNTEIT-QMMMGPOBSA-N 1 0 325.674 2.258 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414951665 313114050 /nfs/dbraw/zinc/11/40/50/313114050.db2.gz PXCNJPMDZKNKCP-SECBINFHSA-N 1 0 344.318 2.460 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000417168922 313439397 /nfs/dbraw/zinc/43/93/97/313439397.db2.gz BEAHVNHRPQDSIO-UHFFFAOYSA-N 1 0 336.392 2.064 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418000876 313684303 /nfs/dbraw/zinc/68/43/03/313684303.db2.gz XHJUYIRCBOHOJW-ZWNOBZJWSA-N 1 0 340.811 2.217 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418090296 313709599 /nfs/dbraw/zinc/70/95/99/313709599.db2.gz NNVONRDQOZBYED-QMMMGPOBSA-N 1 0 334.298 2.150 20 5 EEBDRO CC[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096954 313710680 /nfs/dbraw/zinc/71/06/80/313710680.db2.gz XXXPZXYMDUBKRU-UHFFFAOYSA-N 1 0 334.298 2.022 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418375650 313797679 /nfs/dbraw/zinc/79/76/79/313797679.db2.gz FCQWPKRHKAIDJH-GJZGRUSLSA-N 1 0 332.404 2.236 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418434395 313813131 /nfs/dbraw/zinc/81/31/31/313813131.db2.gz VSQQIOLVNMOPJQ-XJKSGUPXSA-N 1 0 332.404 2.180 20 5 EEBDRO CC[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000420957055 314009260 /nfs/dbraw/zinc/00/92/60/314009260.db2.gz ZALKEODEYKXOSG-BZUAXINKSA-N 1 0 338.404 2.224 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000439136137 315069739 /nfs/dbraw/zinc/06/97/39/315069739.db2.gz RJEPKPBMTWOLSE-HNNXBMFYSA-N 1 0 344.371 2.491 20 5 EEBDRO CNc1c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000444619818 315311392 /nfs/dbraw/zinc/31/13/92/315311392.db2.gz ZRKRNJDXOAOERW-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458587063 315732735 /nfs/dbraw/zinc/73/27/35/315732735.db2.gz PTTXJGQUNKZKCV-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CCOc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)ccc1[N+](=O)[O-] ZINC000496880550 316309659 /nfs/dbraw/zinc/30/96/59/316309659.db2.gz FLJQHMJCSJFFGT-UHFFFAOYSA-N 1 0 335.360 2.068 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000516968365 316622459 /nfs/dbraw/zinc/62/24/59/316622459.db2.gz BSPTYMVKCOOKEI-NXEZZACHSA-N 1 0 328.800 2.216 20 5 EEBDRO CC[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539043365 318051041 /nfs/dbraw/zinc/05/10/41/318051041.db2.gz BOACOKLOCISNHZ-SWLSCSKDSA-N 1 0 341.433 2.041 20 5 EEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000548084021 318353309 /nfs/dbraw/zinc/35/33/09/318353309.db2.gz JDHFYOKVJHETPV-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000564942426 319131163 /nfs/dbraw/zinc/13/11/63/319131163.db2.gz KVXBASDFJUFMTQ-KBPBESRZSA-N 1 0 332.404 2.098 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1SC ZINC000566011519 319235152 /nfs/dbraw/zinc/23/51/52/319235152.db2.gz WAJBQVJYMJKBKV-DTWKUNHWSA-N 1 0 327.406 2.181 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1SC ZINC000566011518 319235319 /nfs/dbraw/zinc/23/53/19/319235319.db2.gz WAJBQVJYMJKBKV-BDAKNGLRSA-N 1 0 327.406 2.181 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000568979277 319535530 /nfs/dbraw/zinc/53/55/30/319535530.db2.gz YJFGLZICGDORBY-AWEZNQCLSA-N 1 0 334.351 2.105 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000574292649 320013603 /nfs/dbraw/zinc/01/36/03/320013603.db2.gz PXZMKYXGLVIGEU-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO CCOc1cc(NC(=O)N(C)CCC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000574739344 320052025 /nfs/dbraw/zinc/05/20/25/320052025.db2.gz MPOZFKYFHXDJRW-UHFFFAOYSA-N 1 0 340.380 2.205 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000576254375 320155903 /nfs/dbraw/zinc/15/59/03/320155903.db2.gz JJSMUSCWQHTLQS-FZMZJTMJSA-N 1 0 331.376 2.048 20 5 EEBDRO O=C(CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576908160 320213975 /nfs/dbraw/zinc/21/39/75/320213975.db2.gz NTWMEURNPWCXHE-INIZCTEOSA-N 1 0 345.399 2.254 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000578435566 320314189 /nfs/dbraw/zinc/31/41/89/320314189.db2.gz HOPNGSXOSCFGCW-CQSZACIVSA-N 1 0 338.310 2.403 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000578962365 323742111 /nfs/dbraw/zinc/74/21/11/323742111.db2.gz MVMKUWQFGJNOLF-KFWWJZLASA-N 1 0 326.418 2.472 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000582900328 324553200 /nfs/dbraw/zinc/55/32/00/324553200.db2.gz LLKAYUWFZCHUGL-ZENOOKHLSA-N 1 0 333.388 2.471 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611699354 449387068 /nfs/dbraw/zinc/38/70/68/449387068.db2.gz APPHAPSUCFXBGQ-CQSZACIVSA-N 1 0 345.403 2.307 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000133661863 462957216 /nfs/dbraw/zinc/95/72/16/462957216.db2.gz MMKJYVWHGMMWOS-CABZTGNLSA-N 1 0 348.359 2.166 20 5 EEBDRO CC[N@H+](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000263803531 464197483 /nfs/dbraw/zinc/19/74/83/464197483.db2.gz ZZLJJEVZWRNKEL-UHFFFAOYSA-N 1 0 330.388 2.150 20 5 EEBDRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000326381134 465038326 /nfs/dbraw/zinc/03/83/26/465038326.db2.gz IMLMWOBSZSUPNJ-OAHLLOKOSA-N 1 0 346.431 2.023 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336794081 465047233 /nfs/dbraw/zinc/04/72/33/465047233.db2.gz ZPBFGSFBDPRJFN-CVEARBPZSA-N 1 0 341.415 2.287 20 5 EEBDRO COC(=O)c1cc(C(=O)NCC2([NH3+])CCCCCC2)cc([N+](=O)[O-])c1 ZINC000347502466 465061898 /nfs/dbraw/zinc/06/18/98/465061898.db2.gz RNGYZLKBTZXRGP-UHFFFAOYSA-N 1 0 349.387 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000339081965 465072575 /nfs/dbraw/zinc/07/25/75/465072575.db2.gz KHIOASFYXKAVKD-CQSZACIVSA-N 1 0 348.321 2.491 20 5 EEBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341390066 465144325 /nfs/dbraw/zinc/14/43/25/465144325.db2.gz KQPPFTGHCARTKJ-NHYWBVRUSA-N 1 0 341.433 2.016 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000347707264 465181135 /nfs/dbraw/zinc/18/11/35/465181135.db2.gz OECPAOYGSPHEOG-UHFFFAOYSA-N 1 0 330.388 2.315 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](SC)C1 ZINC000296424577 465190247 /nfs/dbraw/zinc/19/02/47/465190247.db2.gz VAKYZHAOXSOQRK-GFCCVEGCSA-N 1 0 339.417 2.369 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCCC1 ZINC000351868880 465408575 /nfs/dbraw/zinc/40/85/75/465408575.db2.gz OHBRGPYAZMIPIA-UHFFFAOYSA-N 1 0 349.387 2.318 20 5 EEBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046063040 462643523 /nfs/dbraw/zinc/64/35/23/462643523.db2.gz BBUMARWRRAVUPB-UHFFFAOYSA-N 1 0 328.372 2.101 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128513552 462647041 /nfs/dbraw/zinc/64/70/41/462647041.db2.gz BMBGAXDLDZNCPZ-VXGBXAGGSA-N 1 0 341.795 2.403 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000089620034 462698944 /nfs/dbraw/zinc/69/89/44/462698944.db2.gz QZTUVVFANLTGCH-DGCLKSJQSA-N 1 0 339.417 2.037 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000090574077 462800888 /nfs/dbraw/zinc/80/08/88/462800888.db2.gz DYGNFFOAFUCVJV-AHIWAGSCSA-N 1 0 337.420 2.363 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066945748 462952236 /nfs/dbraw/zinc/95/22/36/462952236.db2.gz DEUGYFGBMLLXML-CQSZACIVSA-N 1 0 333.388 2.060 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000077937453 463073401 /nfs/dbraw/zinc/07/34/01/463073401.db2.gz QUUFOSZCLYAKKP-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000068084454 463089758 /nfs/dbraw/zinc/08/97/58/463089758.db2.gz HEVFPKVBUFBUIW-RYUDHWBXSA-N 1 0 345.403 2.321 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000068118553 463095417 /nfs/dbraw/zinc/09/54/17/463095417.db2.gz CXKKRSUDYOUVMD-MNOVXSKESA-N 1 0 338.383 2.166 20 5 EEBDRO Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988678 463130610 /nfs/dbraw/zinc/13/06/10/463130610.db2.gz FURJAZRNZGJISY-CQSZACIVSA-N 1 0 343.431 2.499 20 5 EEBDRO CCOc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000068473689 463141253 /nfs/dbraw/zinc/14/12/53/463141253.db2.gz VVABNYWHWLOACR-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO C[N@H+](CCOc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712009 463169177 /nfs/dbraw/zinc/16/91/77/463169177.db2.gz UZKLJVOIRWTXBB-MRXNPFEDSA-N 1 0 346.383 2.345 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000158571623 463241763 /nfs/dbraw/zinc/24/17/63/463241763.db2.gz OWXHPRVVSMNEJB-LLVKDONJSA-N 1 0 332.385 2.282 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491319395 468349686 /nfs/dbraw/zinc/34/96/86/468349686.db2.gz JMWSWUKRZZMYPN-JFOCPDPESA-N 1 0 333.363 2.490 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000056191928 463382778 /nfs/dbraw/zinc/38/27/78/463382778.db2.gz NNQWFOJPUCJPSO-UHFFFAOYSA-N 1 0 346.362 2.178 20 5 EEBDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196726 463384458 /nfs/dbraw/zinc/38/44/58/463384458.db2.gz YUFZUULMSBCUMM-NWDGAFQWSA-N 1 0 336.392 2.116 20 5 EEBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000161408736 463429098 /nfs/dbraw/zinc/42/90/98/463429098.db2.gz YUDUTTABRPHAKG-LBPRGKRZSA-N 1 0 330.319 2.138 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000161838772 463460982 /nfs/dbraw/zinc/46/09/82/463460982.db2.gz ZQIYHFNONWUEEZ-KGLIPLIRSA-N 1 0 332.404 2.195 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000041630849 463499865 /nfs/dbraw/zinc/49/98/65/463499865.db2.gz SACRTYSPTNAODI-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000125351988 463533905 /nfs/dbraw/zinc/53/39/05/463533905.db2.gz OSSIPKKSLYDPPS-LRDDRELGSA-N 1 0 333.388 2.105 20 5 EEBDRO O=C1[C@H]([N@@H+]2CCC3(C2)CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072899020 463561805 /nfs/dbraw/zinc/56/18/05/463561805.db2.gz MAXDCGQOLJUHLK-MRXNPFEDSA-N 1 0 345.399 2.203 20 5 EEBDRO CC(C)SCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568621688 468363804 /nfs/dbraw/zinc/36/38/04/468363804.db2.gz CBXUGLCCHBMBIG-UHFFFAOYSA-N 1 0 332.447 2.100 20 5 EEBDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559071 463615426 /nfs/dbraw/zinc/61/54/26/463615426.db2.gz PXTANXFWUVWGNM-DOMZBBRYSA-N 1 0 332.404 2.439 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+](C)C ZINC000109317211 463638167 /nfs/dbraw/zinc/63/81/67/463638167.db2.gz OKRRRRXUPMGCNU-CQSZACIVSA-N 1 0 332.360 2.262 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170713192 463698918 /nfs/dbraw/zinc/69/89/18/463698918.db2.gz MYOIUTXDKQNVGB-HNNXBMFYSA-N 1 0 332.404 2.012 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276678935 463715953 /nfs/dbraw/zinc/71/59/53/463715953.db2.gz FGUQTZHOFXLIKB-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000276867942 463787478 /nfs/dbraw/zinc/78/74/78/463787478.db2.gz HEGCFNOOFBTHGG-OAHLLOKOSA-N 1 0 335.404 2.342 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261723530 463840452 /nfs/dbraw/zinc/84/04/52/463840452.db2.gz QYBMLYBACIRLTD-KRWDZBQOSA-N 1 0 325.368 2.141 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000269002556 463843047 /nfs/dbraw/zinc/84/30/47/463843047.db2.gz ZPAVOBKIDDGHJB-JKSUJKDBSA-N 1 0 346.431 2.263 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171447438 463865479 /nfs/dbraw/zinc/86/54/79/463865479.db2.gz SIIZASJECIBBPN-QGZVFWFLSA-N 1 0 346.431 2.484 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000277130201 463883368 /nfs/dbraw/zinc/88/33/68/463883368.db2.gz TVJMLAHSWQRSKJ-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447013 463888185 /nfs/dbraw/zinc/88/81/85/463888185.db2.gz KNQZLXANVLJILC-QWRGUYRKSA-N 1 0 338.383 2.166 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277157237 463892017 /nfs/dbraw/zinc/89/20/17/463892017.db2.gz JZZIKGDRKALRQJ-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166797 463895657 /nfs/dbraw/zinc/89/56/57/463895657.db2.gz KODIHWQISSKYKD-DZGCQCFKSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283623113 463947463 /nfs/dbraw/zinc/94/74/63/463947463.db2.gz STHOLZSQMXGNIJ-CQSZACIVSA-N 1 0 348.447 2.483 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262225945 463977806 /nfs/dbraw/zinc/97/78/06/463977806.db2.gz NGMCBKNANIEXTD-DLBZAZTESA-N 1 0 325.368 2.091 20 5 EEBDRO CC[C@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000279004001 464024888 /nfs/dbraw/zinc/02/48/88/464024888.db2.gz MOCPUGFYJUQEHW-OCCSQVGLSA-N 1 0 343.387 2.276 20 5 EEBDRO CC[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000279003991 464025069 /nfs/dbraw/zinc/02/50/69/464025069.db2.gz MOCPUGFYJUQEHW-GXTWGEPZSA-N 1 0 343.387 2.276 20 5 EEBDRO COc1cc(C[NH2+]CCCn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000263654724 464141544 /nfs/dbraw/zinc/14/15/44/464141544.db2.gz FNHQRIFWTFFQRH-UHFFFAOYSA-N 1 0 334.376 2.297 20 5 EEBDRO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292278304 464183233 /nfs/dbraw/zinc/18/32/33/464183233.db2.gz MAUSNMYINJPTEH-GFCCVEGCSA-N 1 0 332.404 2.004 20 5 EEBDRO Nc1nc(N2CCC[N@H+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000263958168 464252461 /nfs/dbraw/zinc/25/24/61/464252461.db2.gz NIXOUYPMIVZGRJ-UHFFFAOYSA-N 1 0 334.424 2.059 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292512098 464258077 /nfs/dbraw/zinc/25/80/77/464258077.db2.gz YDLLYZBIVUVOFY-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000237507196 464331874 /nfs/dbraw/zinc/33/18/74/464331874.db2.gz HVWFHWZPDXYQFW-YGRLFVJLSA-N 1 0 325.796 2.377 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000348164382 465461594 /nfs/dbraw/zinc/46/15/94/465461594.db2.gz SRSYZCHMYKNBKE-STQMWFEESA-N 1 0 334.376 2.205 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000237761355 464376006 /nfs/dbraw/zinc/37/60/06/464376006.db2.gz RJUUHHDZHRFZOB-GFCCVEGCSA-N 1 0 341.795 2.275 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264600384 464389664 /nfs/dbraw/zinc/38/96/64/464389664.db2.gz NGVUAZYKJPMLEH-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO [NH3+]C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238041029 464424019 /nfs/dbraw/zinc/42/40/19/464424019.db2.gz IKPKJYQKEUTAMF-CQSZACIVSA-N 1 0 335.407 2.104 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175466429 464555814 /nfs/dbraw/zinc/55/58/14/464555814.db2.gz OUSJTBHTEXFDGI-UHFFFAOYSA-N 1 0 349.431 2.160 20 5 EEBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000285478016 464580546 /nfs/dbraw/zinc/58/05/46/464580546.db2.gz HWSJUGOFCLKVHZ-MRXNPFEDSA-N 1 0 337.376 2.091 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272481572 464625307 /nfs/dbraw/zinc/62/53/07/464625307.db2.gz GROPDOHPVQFPAO-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO CN1CCC[N@H+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591143061 468413560 /nfs/dbraw/zinc/41/35/60/468413560.db2.gz WTCTYNJAAKQFAC-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000281979966 464656896 /nfs/dbraw/zinc/65/68/96/464656896.db2.gz OQXORNLSGSGJRR-AWEZNQCLSA-N 1 0 346.431 2.396 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(N3CCc4ccccc43)CC2)c1 ZINC000282016116 464669799 /nfs/dbraw/zinc/66/97/99/464669799.db2.gz KAMVUGHEGZPDAR-UHFFFAOYSA-N 1 0 341.415 2.318 20 5 EEBDRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247458815 464681309 /nfs/dbraw/zinc/68/13/09/464681309.db2.gz IDSNDDFOHSHQMY-NVXWUHKLSA-N 1 0 332.404 2.105 20 5 EEBDRO Cc1cc(OCC(=O)N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593884163 468420078 /nfs/dbraw/zinc/42/00/78/468420078.db2.gz UGVORTPPPGQPQW-UHFFFAOYSA-N 1 0 335.404 2.226 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176286168 464739599 /nfs/dbraw/zinc/73/95/99/464739599.db2.gz KODNZWASTWBWFR-QGZVFWFLSA-N 1 0 343.431 2.245 20 5 EEBDRO CC1(C)CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000591155549 468417568 /nfs/dbraw/zinc/41/75/68/468417568.db2.gz QZMFDOIVHYCAOB-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266350119 464772095 /nfs/dbraw/zinc/77/20/95/464772095.db2.gz WXBDNPSUHAYINM-SNVBAGLBSA-N 1 0 331.294 2.438 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3CN(C4CC4)CCO3)no2)c1 ZINC000356668526 465480146 /nfs/dbraw/zinc/48/01/46/465480146.db2.gz HVQCHOWNJWTQGG-CYBMUJFWSA-N 1 0 334.307 2.320 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192131301 464871851 /nfs/dbraw/zinc/87/18/51/464871851.db2.gz FEUKSIMVLJSMCD-LSDHHAIUSA-N 1 0 338.314 2.189 20 5 EEBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286352156 464887906 /nfs/dbraw/zinc/88/79/06/464887906.db2.gz WQEFQOXDNWECMG-YIONKMFJSA-N 1 0 346.431 2.480 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282641276 464894315 /nfs/dbraw/zinc/89/43/15/464894315.db2.gz BRFCKKQREALLDM-UHFFFAOYSA-N 1 0 338.427 2.192 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000295824751 464977405 /nfs/dbraw/zinc/97/74/05/464977405.db2.gz UZKCQPMOFOKIHW-UHFFFAOYSA-N 1 0 348.359 2.027 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286618962 464981206 /nfs/dbraw/zinc/98/12/06/464981206.db2.gz RYBXPBFPWCVJIV-RISCZKNCSA-N 1 0 348.321 2.466 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599992608 468430616 /nfs/dbraw/zinc/43/06/16/468430616.db2.gz YTUBCQMGQZBYJN-QMCVQRASSA-N 1 0 331.416 2.182 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000359496705 465412894 /nfs/dbraw/zinc/41/28/94/465412894.db2.gz NIDCJERVHDHYRB-GFCCVEGCSA-N 1 0 331.376 2.789 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000356730124 465510521 /nfs/dbraw/zinc/51/05/21/465510521.db2.gz NEEYLYYGHKDQBM-UHFFFAOYSA-N 1 0 349.435 2.057 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352816667 465558980 /nfs/dbraw/zinc/55/89/80/465558980.db2.gz PVDBQKCYYGTBAT-NRUUGDAUSA-N 1 0 339.417 2.272 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519823 465649087 /nfs/dbraw/zinc/64/90/87/465649087.db2.gz GCTFGLMHVGUDJW-PWSUYJOCSA-N 1 0 329.303 2.283 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337902404 465670241 /nfs/dbraw/zinc/67/02/41/465670241.db2.gz RIQTXRXCOCHMEF-QWHCGFSZSA-N 1 0 331.376 2.187 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000330501714 465683692 /nfs/dbraw/zinc/68/36/92/465683692.db2.gz AVBXTSJWYMJGAH-LLVKDONJSA-N 1 0 344.209 2.393 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCOc1ccccc1[N+](=O)[O-] ZINC000371293837 465693027 /nfs/dbraw/zinc/69/30/27/465693027.db2.gz HXUMZGBXXLLMQG-VKJFTORMSA-N 1 0 349.431 2.157 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000362466458 465760986 /nfs/dbraw/zinc/76/09/86/465760986.db2.gz OLOMJAXHEINZQQ-QGZVFWFLSA-N 1 0 343.383 2.300 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338027510 465761480 /nfs/dbraw/zinc/76/14/80/465761480.db2.gz JEBJZBNWQAWZFT-MGPQQGTHSA-N 1 0 334.420 2.384 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301073252 465895895 /nfs/dbraw/zinc/89/58/95/465895895.db2.gz FXSQJWDEHFYGNV-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340252070 465923245 /nfs/dbraw/zinc/92/32/45/465923245.db2.gz RZQFPAUSQAAOCJ-HNNXBMFYSA-N 1 0 342.399 2.217 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361424061 465982995 /nfs/dbraw/zinc/98/29/95/465982995.db2.gz FPTAEDYZGHJOEA-QGZVFWFLSA-N 1 0 336.388 2.244 20 5 EEBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000331288751 466014645 /nfs/dbraw/zinc/01/46/45/466014645.db2.gz NLXYRMCKUPUGLZ-XJKCOSOUSA-N 1 0 335.404 2.039 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301941557 466065983 /nfs/dbraw/zinc/06/59/83/466065983.db2.gz UXHUFIVXALTBTC-STQMWFEESA-N 1 0 332.408 2.417 20 5 EEBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346646759 466123018 /nfs/dbraw/zinc/12/30/18/466123018.db2.gz DAJHEINLPTYLAD-KGLIPLIRSA-N 1 0 329.404 2.428 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000361634203 466165572 /nfs/dbraw/zinc/16/55/72/466165572.db2.gz ABOJKJKZVXPVNJ-HUUCEWRRSA-N 1 0 337.807 2.086 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363234804 466297782 /nfs/dbraw/zinc/29/77/82/466297782.db2.gz REBYIZBWKSFDJU-AWEZNQCLSA-N 1 0 337.807 2.487 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000357912009 466313123 /nfs/dbraw/zinc/31/31/23/466313123.db2.gz WVGRMWOJCGVQNJ-UHFFFAOYSA-N 1 0 335.379 2.410 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591581761 468487324 /nfs/dbraw/zinc/48/73/24/468487324.db2.gz QZKRXRZFMYSDHF-JKSUJKDBSA-N 1 0 341.415 2.149 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC000372430555 466375701 /nfs/dbraw/zinc/37/57/01/466375701.db2.gz FYZVYARCSQUJQW-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000358027428 466396367 /nfs/dbraw/zinc/39/63/67/466396367.db2.gz RJXUXTHQTTYMIE-CYBMUJFWSA-N 1 0 335.404 2.191 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H](O)C1CC1 ZINC000305748366 466446712 /nfs/dbraw/zinc/44/67/12/466446712.db2.gz QJMXCDICYHNIBE-XPTSAGLGSA-N 1 0 341.795 2.278 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332234646 466461607 /nfs/dbraw/zinc/46/16/07/466461607.db2.gz RRDYCXTYIIDDCW-WDEREUQCSA-N 1 0 344.371 2.013 20 5 EEBDRO C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237518 466462514 /nfs/dbraw/zinc/46/25/14/466462514.db2.gz HKWRAPCIHHVSRG-MKBNYLNASA-N 1 0 335.379 2.390 20 5 EEBDRO CC[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591669270 468500378 /nfs/dbraw/zinc/50/03/78/468500378.db2.gz MWSLWJLCWZMQBB-OLZOCXBDSA-N 1 0 327.331 2.407 20 5 EEBDRO CC(C)[N@H+](C)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000318983634 466593504 /nfs/dbraw/zinc/59/35/04/466593504.db2.gz KDIQBSGETISHNR-UHFFFAOYSA-N 1 0 329.422 2.141 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591676244 468501453 /nfs/dbraw/zinc/50/14/53/468501453.db2.gz HIROTGAPCLFRMX-CYBMUJFWSA-N 1 0 344.209 2.461 20 5 EEBDRO C[C@@H]1COCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372925136 466639136 /nfs/dbraw/zinc/63/91/36/466639136.db2.gz JNUABBPHJOAKMG-NSHDSACASA-N 1 0 325.340 2.031 20 5 EEBDRO COC[C@@]1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]1 ZINC000423412836 466743191 /nfs/dbraw/zinc/74/31/91/466743191.db2.gz IUIHIHFNDLJFQF-AEFFLSMTSA-N 1 0 333.432 2.274 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000369775308 466752580 /nfs/dbraw/zinc/75/25/80/466752580.db2.gz XHTWEKOJTQIVIA-MSOLQXFVSA-N 1 0 339.395 2.351 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423726376 466814973 /nfs/dbraw/zinc/81/49/73/466814973.db2.gz UBTYUVFPPGHTLA-KBPBESRZSA-N 1 0 347.415 2.374 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411717085 466886377 /nfs/dbraw/zinc/88/63/77/466886377.db2.gz HUMSBOGVNHZPAD-RHGTVDNUSA-N 1 0 345.399 2.279 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411726125 466887908 /nfs/dbraw/zinc/88/79/08/466887908.db2.gz XMMWKMCWUUMFOL-OKILXGFUSA-N 1 0 334.420 2.338 20 5 EEBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972117 466953543 /nfs/dbraw/zinc/95/35/43/466953543.db2.gz PLFGNOCSNKKPHH-KPZWWZAWSA-N 1 0 347.415 2.277 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373932266 466973865 /nfs/dbraw/zinc/97/38/65/466973865.db2.gz GVJWDTMADCWGAV-UONOGXRCSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1F ZINC000412367437 467075001 /nfs/dbraw/zinc/07/50/01/467075001.db2.gz VNEXSKIRGPCTFV-NSHDSACASA-N 1 0 341.383 2.130 20 5 EEBDRO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000418349152 467096436 /nfs/dbraw/zinc/09/64/36/467096436.db2.gz RUBDHUPTVPDYRP-JSGCOSHPSA-N 1 0 332.404 2.051 20 5 EEBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000425766858 467131399 /nfs/dbraw/zinc/13/13/99/467131399.db2.gz KFBLVSNSJMCHNX-DUVNUKRYSA-N 1 0 332.404 2.391 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000378398487 467290866 /nfs/dbraw/zinc/29/08/66/467290866.db2.gz SATRHQSCDMTHFV-UHFFFAOYSA-N 1 0 326.356 2.207 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429127791 467302529 /nfs/dbraw/zinc/30/25/29/467302529.db2.gz LMDSUPUIDRTGSN-JFGNBEQYSA-N 1 0 341.795 2.211 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420335699 467363293 /nfs/dbraw/zinc/36/32/93/467363293.db2.gz LXBORYVIOLJGDK-CMPLNLGQSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[C@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000414141581 467383369 /nfs/dbraw/zinc/38/33/69/467383369.db2.gz JUXCHIZYEICBGU-JKSUJKDBSA-N 1 0 336.436 2.443 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000434238051 467384281 /nfs/dbraw/zinc/38/42/81/467384281.db2.gz UPMCYVXDORODQX-NWDGAFQWSA-N 1 0 337.424 2.386 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420375325 467384552 /nfs/dbraw/zinc/38/45/52/467384552.db2.gz IVTYSHDQQXAUEN-WDEREUQCSA-N 1 0 340.811 2.103 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420477175 467419989 /nfs/dbraw/zinc/41/99/89/467419989.db2.gz ZJOJPTVBNZWJAD-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO C[NH+](C)C1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420634184 467438397 /nfs/dbraw/zinc/43/83/97/467438397.db2.gz ZOGQZJHUKCVLOD-UHFFFAOYSA-N 1 0 331.376 2.930 20 5 EEBDRO CC1(C)CCC[N@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000443960115 467581473 /nfs/dbraw/zinc/58/14/73/467581473.db2.gz JJXGFBDTTCDVGW-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000449179125 467622301 /nfs/dbraw/zinc/62/23/01/467622301.db2.gz YWMNZYRRIZGTBR-ZDUSSCGKSA-N 1 0 343.383 2.180 20 5 EEBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449605676 467669923 /nfs/dbraw/zinc/66/99/23/467669923.db2.gz WWLXDSJCGLFWSS-SNVBAGLBSA-N 1 0 334.401 2.333 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450351792 467833416 /nfs/dbraw/zinc/83/34/16/467833416.db2.gz ABSIFOOKRVNYAR-RYUDHWBXSA-N 1 0 330.388 2.468 20 5 EEBDRO CO[C@@H]1COCC[C@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000450700228 467894338 /nfs/dbraw/zinc/89/43/38/467894338.db2.gz LWVVCKCZBUKVEM-YVEFUNNKSA-N 1 0 331.372 2.337 20 5 EEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408268 467905259 /nfs/dbraw/zinc/90/52/59/467905259.db2.gz AZVQLZJUVTUAMU-UKRRQHHQSA-N 1 0 341.795 2.327 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493752782 467976275 /nfs/dbraw/zinc/97/62/75/467976275.db2.gz ITMFBYJVTPSYAU-BQYQJAHWSA-N 1 0 347.415 2.177 20 5 EEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283033 468042071 /nfs/dbraw/zinc/04/20/71/468042071.db2.gz SEIYFAGHUSSHSO-LKFCYVNXSA-N 1 0 327.768 2.344 20 5 EEBDRO C[C@H](CO)[N@@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487764627 468052931 /nfs/dbraw/zinc/05/29/31/468052931.db2.gz YRPXRIHJZYIGPC-CYBMUJFWSA-N 1 0 330.388 2.036 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000517129422 468072457 /nfs/dbraw/zinc/07/24/57/468072457.db2.gz LLQMYEDOEBCKKT-LZLYRXPVSA-N 1 0 344.415 2.468 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000519574296 468173455 /nfs/dbraw/zinc/17/34/55/468173455.db2.gz YNDSBGAFFOIIOY-CYBMUJFWSA-N 1 0 337.420 2.383 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000489916512 468176833 /nfs/dbraw/zinc/17/68/33/468176833.db2.gz PRTYXFRELGJJAB-ZDUSSCGKSA-N 1 0 337.420 2.275 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccnc21 ZINC000590079880 468213086 /nfs/dbraw/zinc/21/30/86/468213086.db2.gz VJCFGSKHKKCQQP-WBVHZDCISA-N 1 0 342.399 2.178 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594195752 468508654 /nfs/dbraw/zinc/50/86/54/468508654.db2.gz IUXGGXUNJMDRLG-CABCVRRESA-N 1 0 333.388 2.350 20 5 EEBDRO CN(C)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728916 468511975 /nfs/dbraw/zinc/51/19/75/468511975.db2.gz YRMSXZBWSVRFDR-MRXNPFEDSA-N 1 0 345.399 2.190 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000591764382 468517490 /nfs/dbraw/zinc/51/74/90/468517490.db2.gz HHUBKICSPRABBH-NWDGAFQWSA-N 1 0 330.331 2.360 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]3)CC2)c(Br)c1 ZINC000582540419 468554813 /nfs/dbraw/zinc/55/48/13/468554813.db2.gz AQKWVLMMAWOCGI-UHFFFAOYSA-N 1 0 327.182 2.085 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597440452 468556448 /nfs/dbraw/zinc/55/64/48/468556448.db2.gz NODWAGBCKDIUQN-MRXNPFEDSA-N 1 0 344.415 2.411 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000582899819 468612476 /nfs/dbraw/zinc/61/24/76/468612476.db2.gz KCGPJZABZBCDGJ-AWEZNQCLSA-N 1 0 338.310 2.403 20 5 EEBDRO CC[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332321 468678781 /nfs/dbraw/zinc/67/87/81/468678781.db2.gz WNPQQAPSSNRWLB-DZGCQCFKSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594992943 468739891 /nfs/dbraw/zinc/73/98/91/468739891.db2.gz LZCAKLRCLRTHTD-NJELEJDNSA-N 1 0 331.416 2.451 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000595041997 468748522 /nfs/dbraw/zinc/74/85/22/468748522.db2.gz SAIWFVMYHOCZPR-CMPLNLGQSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000571184050 468752889 /nfs/dbraw/zinc/75/28/89/468752889.db2.gz XNOIRNDGNIKMHS-MRXNPFEDSA-N 1 0 332.404 2.268 20 5 EEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601144297 468759239 /nfs/dbraw/zinc/75/92/39/468759239.db2.gz ILXDUFOJSPFEJQ-AWEZNQCLSA-N 1 0 343.431 2.003 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000595295965 468803509 /nfs/dbraw/zinc/80/35/09/468803509.db2.gz IQAPTPWYJYJKOY-INIZCTEOSA-N 1 0 337.395 2.421 20 5 EEBDRO CNc1ccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261902 468810079 /nfs/dbraw/zinc/81/00/79/468810079.db2.gz IDRQIWSIUIEFFV-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000598342439 468837162 /nfs/dbraw/zinc/83/71/62/468837162.db2.gz NJVXVWLILAFQLR-CQSZACIVSA-N 1 0 330.388 2.150 20 5 EEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCO[C@H]21 ZINC000584323117 468843548 /nfs/dbraw/zinc/84/35/48/468843548.db2.gz YSVYXUVDRJAEDY-KLHDSHLOSA-N 1 0 345.399 2.103 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593058800 468855978 /nfs/dbraw/zinc/85/59/78/468855978.db2.gz OTYUGGPJHRUSHZ-VNQPRFMTSA-N 1 0 338.404 2.224 20 5 EEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595496787 468875805 /nfs/dbraw/zinc/87/58/05/468875805.db2.gz IMSFWPOKRYZJDU-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153529 468888826 /nfs/dbraw/zinc/88/88/26/468888826.db2.gz ONQYQGVJHLFODI-IUODEOHRSA-N 1 0 335.379 2.362 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543087 468894837 /nfs/dbraw/zinc/89/48/37/468894837.db2.gz IPAJDWWIUGUZOH-SFHVURJKSA-N 1 0 343.358 2.363 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598558032 468911770 /nfs/dbraw/zinc/91/17/70/468911770.db2.gz BNJLLXLIJOHOMZ-CYBMUJFWSA-N 1 0 349.435 2.122 20 5 EEBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595637872 468934243 /nfs/dbraw/zinc/93/42/43/468934243.db2.gz YRGUCBUEIWGZQE-HZSPNIEDSA-N 1 0 333.388 2.016 20 5 EEBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639249 468983177 /nfs/dbraw/zinc/98/31/77/468983177.db2.gz IESIDJKUMMKLIJ-NOZJJQNGSA-N 1 0 334.294 2.243 20 5 EEBDRO O=C1CCCN1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602712258 469027443 /nfs/dbraw/zinc/02/74/43/469027443.db2.gz LPLZISIGRSYDDV-UHFFFAOYSA-N 1 0 348.222 2.131 20 5 EEBDRO CCCN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602712725 469027660 /nfs/dbraw/zinc/02/76/60/469027660.db2.gz FHODECQXHCXSSU-HNNXBMFYSA-N 1 0 333.436 2.033 20 5 EEBDRO CC[N@H+](CCOc1ccccc1OC)CCn1cc([N+](=O)[O-])cn1 ZINC000595883904 469063533 /nfs/dbraw/zinc/06/35/33/469063533.db2.gz DBIKOPUKRIBLLU-UHFFFAOYSA-N 1 0 334.376 2.201 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000602791872 469078168 /nfs/dbraw/zinc/07/81/68/469078168.db2.gz WTVCDZVPXLQNHP-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599002271 469084640 /nfs/dbraw/zinc/08/46/40/469084640.db2.gz GKEVJJVHSTYQQR-DYVFJYSZSA-N 1 0 345.355 2.324 20 5 EEBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595940447 469093057 /nfs/dbraw/zinc/09/30/57/469093057.db2.gz RANXVWNJDJLHOB-INIZCTEOSA-N 1 0 347.415 2.353 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000596065018 469135677 /nfs/dbraw/zinc/13/56/77/469135677.db2.gz NHRHPOUDOLQYNB-PBHICJAKSA-N 1 0 338.404 2.129 20 5 EEBDRO CCC(CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000596071110 469139997 /nfs/dbraw/zinc/13/99/97/469139997.db2.gz WCTVJSJRSGETGH-OAHLLOKOSA-N 1 0 347.419 3.022 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC000599159568 469142479 /nfs/dbraw/zinc/14/24/79/469142479.db2.gz BHQWVSIYQYGZLO-UHFFFAOYSA-N 1 0 334.420 2.298 20 5 EEBDRO C[NH+](C)CC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602104120 469190644 /nfs/dbraw/zinc/19/06/44/469190644.db2.gz DZZUFCIGRDTZCE-UHFFFAOYSA-N 1 0 347.415 2.306 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000573713910 469192568 /nfs/dbraw/zinc/19/25/68/469192568.db2.gz QPKWEQRWUOABLJ-AWEZNQCLSA-N 1 0 342.399 2.457 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190132 469209347 /nfs/dbraw/zinc/20/93/47/469209347.db2.gz PHVMLQGTGUIZFA-DZGCQCFKSA-N 1 0 347.415 2.425 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000573843872 469217300 /nfs/dbraw/zinc/21/73/00/469217300.db2.gz CMBNNXRAUICXKB-QWHCGFSZSA-N 1 0 339.417 2.015 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000573843870 469217695 /nfs/dbraw/zinc/21/76/95/469217695.db2.gz CMBNNXRAUICXKB-CHWSQXEVSA-N 1 0 339.417 2.015 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000596306602 469239140 /nfs/dbraw/zinc/23/91/40/469239140.db2.gz HINWJAGRBWUXES-LLVKDONJSA-N 1 0 336.392 2.309 20 5 EEBDRO CC(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000611395234 469241272 /nfs/dbraw/zinc/24/12/72/469241272.db2.gz FZLADLSTFINYNR-INIZCTEOSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602482089 469335386 /nfs/dbraw/zinc/33/53/86/469335386.db2.gz MKTVTUJMOPYRTO-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H](O)C3)CC2)cn1 ZINC000602557877 469360057 /nfs/dbraw/zinc/36/00/57/469360057.db2.gz JRWUIOOKDYBDLA-BBRMVZONSA-N 1 0 334.420 2.099 20 5 EEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557030 469360367 /nfs/dbraw/zinc/36/03/67/469360367.db2.gz IYJLOBGUUIUYEX-ZIAGYGMSSA-N 1 0 336.436 2.345 20 5 EEBDRO COc1ccc(C)cc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612029839 469369587 /nfs/dbraw/zinc/36/95/87/469369587.db2.gz FXXNWGDRBKNEQK-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO C[C@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602582033 469371293 /nfs/dbraw/zinc/37/12/93/469371293.db2.gz MMIVSYJKVIBGQY-UONOGXRCSA-N 1 0 334.420 2.363 20 5 EEBDRO C[N@H+](CCOC(C)(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612092306 469391584 /nfs/dbraw/zinc/39/15/84/469391584.db2.gz INGOSYBUHGLPLC-CYBMUJFWSA-N 1 0 326.393 2.081 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386053 469924541 /nfs/dbraw/zinc/92/45/41/469924541.db2.gz JWMUUEPPURICOI-DZGCQCFKSA-N 1 0 334.420 2.384 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602538248 485641003 /nfs/dbraw/zinc/64/10/03/485641003.db2.gz BPNKWGFNJKFARD-CMPLNLGQSA-N 1 0 331.294 2.194 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183345456 533949080 /nfs/dbraw/zinc/94/90/80/533949080.db2.gz JDDAUOWPNASBTP-GHMZBOCLSA-N 1 0 331.376 2.315 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168319 533987591 /nfs/dbraw/zinc/98/75/91/533987591.db2.gz AJLHQHPZYINYST-AEAUEXCSSA-N 1 0 333.388 2.469 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000192496918 534888643 /nfs/dbraw/zinc/88/86/43/534888643.db2.gz PLLFADBONLUTKI-VXGBXAGGSA-N 1 0 326.422 2.231 20 5 EEBDRO CC(C)([NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160018843 527244471 /nfs/dbraw/zinc/24/44/71/527244471.db2.gz MZGKFQHJYIPYSK-UHFFFAOYSA-N 1 0 348.325 2.269 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189797577 528070683 /nfs/dbraw/zinc/07/06/83/528070683.db2.gz CPQQOIPHYBTIQU-CQSZACIVSA-N 1 0 348.447 2.084 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173992838 528259713 /nfs/dbraw/zinc/25/97/13/528259713.db2.gz NNSJALBHQODHIZ-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000174175046 528283588 /nfs/dbraw/zinc/28/35/88/528283588.db2.gz VGVKGKSUZXRQGW-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000194629748 535535693 /nfs/dbraw/zinc/53/56/93/535535693.db2.gz FBYMOLUUFYDPCB-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422934845 536446551 /nfs/dbraw/zinc/44/65/51/536446551.db2.gz KGYFMTDJBCJWGA-UHFFFAOYSA-N 1 0 342.399 2.199 20 5 EEBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591263 577463616 /nfs/dbraw/zinc/46/36/16/577463616.db2.gz INNCEOCLHWTCKL-RYRKJORJSA-N 1 0 349.431 2.350 20 5 EEBDRO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028583 577589228 /nfs/dbraw/zinc/58/92/28/577589228.db2.gz GOUOSTQFJKPMLP-GDBMZVCRSA-N 1 0 330.388 2.241 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1C ZINC000754079011 577799841 /nfs/dbraw/zinc/79/98/41/577799841.db2.gz FGKAFIPIKBXBBY-LBPRGKRZSA-N 1 0 334.376 2.082 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755790406 577831415 /nfs/dbraw/zinc/83/14/15/577831415.db2.gz OBIJIQXZIRQVPM-LBPRGKRZSA-N 1 0 326.360 2.125 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638871 577979342 /nfs/dbraw/zinc/97/93/42/577979342.db2.gz LZHXMKBOCLDCBI-IEBWSBKVSA-N 1 0 341.411 2.492 20 5 EEBDRO CCCC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749679438 577979765 /nfs/dbraw/zinc/97/97/65/577979765.db2.gz VTMXCQTVNSFGQA-MRXNPFEDSA-N 1 0 335.404 2.009 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736100181 578179699 /nfs/dbraw/zinc/17/96/99/578179699.db2.gz BUSQWUFCTXROHQ-GFCCVEGCSA-N 1 0 336.348 2.107 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804813537 675641762 /nfs/dbraw/zinc/64/17/62/675641762.db2.gz RKCHZEGGUQYZGD-GXTWGEPZSA-N 1 0 332.404 2.017 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022000338 676576815 /nfs/dbraw/zinc/57/68/15/676576815.db2.gz XYDFNTOMZTXWCE-BETUJISGSA-N 1 0 335.385 2.229 20 5 EEBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000933430332 676671498 /nfs/dbraw/zinc/67/14/98/676671498.db2.gz NIDZACKDJSKEQP-KRWDZBQOSA-N 1 0 331.372 2.082 20 5 EEBDRO COc1cccc(C[NH+]2CCC(Nc3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000891905670 676898228 /nfs/dbraw/zinc/89/82/28/676898228.db2.gz CQZKXYIYDYPLJV-UHFFFAOYSA-N 1 0 345.403 2.413 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892133187 676906866 /nfs/dbraw/zinc/90/68/66/676906866.db2.gz KKGFAJCRCFJAFE-ZDUSSCGKSA-N 1 0 337.420 2.473 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892036065 677932460 /nfs/dbraw/zinc/93/24/60/677932460.db2.gz RDIWZUJIWZQXOQ-GFCCVEGCSA-N 1 0 330.388 2.341 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000892324699 678809599 /nfs/dbraw/zinc/80/95/99/678809599.db2.gz BVWXJQFYVKQUOP-OAHLLOKOSA-N 1 0 329.404 2.305 20 5 EEBDRO CCc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001022993346 678902646 /nfs/dbraw/zinc/90/26/46/678902646.db2.gz QIWXZQTVFOJBGB-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000178860621 681255036 /nfs/dbraw/zinc/25/50/36/681255036.db2.gz NXNLDKAWDXQHLM-INIZCTEOSA-N 1 0 332.356 2.474 20 5 EEBDRO CC(F)(F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000982988498 681611847 /nfs/dbraw/zinc/61/18/47/681611847.db2.gz QUOCGTYADBRPBL-UMSPYCQHSA-N 1 0 327.331 2.234 20 5 EEBDRO Cc1c(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000894396297 682805961 /nfs/dbraw/zinc/80/59/61/682805961.db2.gz NBZGPZJSJVRRNQ-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000892821753 683102710 /nfs/dbraw/zinc/10/27/10/683102710.db2.gz FHRJEKPPZOZPJK-ZDUSSCGKSA-N 1 0 334.420 2.339 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892840550 683125169 /nfs/dbraw/zinc/12/51/69/683125169.db2.gz PZASTJJIKKJPNC-OCCSQVGLSA-N 1 0 344.415 2.223 20 5 EEBDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000153114306 683761778 /nfs/dbraw/zinc/76/17/78/683761778.db2.gz IJGITOATBWIRCW-UHFFFAOYSA-N 1 0 349.387 2.259 20 5 EEBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895245610 684372499 /nfs/dbraw/zinc/37/24/99/684372499.db2.gz GVYYFUCJRCWUQB-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@H+](C)CCN1C ZINC000895249728 684376826 /nfs/dbraw/zinc/37/68/26/684376826.db2.gz XBWUQAOZCWXERS-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424020945 694495300 /nfs/dbraw/zinc/49/53/00/694495300.db2.gz AHLCTRRFLBHKAI-LRDDRELGSA-N 1 0 335.429 2.430 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000794717242 1197909778 /nfs/dbraw/zinc/90/97/78/1197909778.db2.gz KMFXNRCIMKLMJJ-BZNIZROVSA-N 1 0 331.347 2.481 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000825665559 1198530028 /nfs/dbraw/zinc/53/00/28/1198530028.db2.gz SQLOAVFNPNVSSU-IRXDYDNUSA-N 1 0 347.415 2.105 20 5 EEBDRO C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000814649070 1199643030 /nfs/dbraw/zinc/64/30/30/1199643030.db2.gz IUSGUHYCRGLOSS-ZWKOTPCHSA-N 1 0 330.384 2.164 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000876624649 1199696429 /nfs/dbraw/zinc/69/64/29/1199696429.db2.gz JFDGDHFSSDKXQL-CQSZACIVSA-N 1 0 332.404 2.201 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877290676 1199896762 /nfs/dbraw/zinc/89/67/62/1199896762.db2.gz YMJWEYPXHYGKQW-DZGCQCFKSA-N 1 0 330.388 2.136 20 5 EEBDRO CCc1ccc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877332571 1199905323 /nfs/dbraw/zinc/90/53/23/1199905323.db2.gz DEPUDEHSFSOOEZ-OAHLLOKOSA-N 1 0 347.415 2.046 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)o1 ZINC000878185259 1200308106 /nfs/dbraw/zinc/30/81/06/1200308106.db2.gz HWMHWFYZGKAWLH-MRXNPFEDSA-N 1 0 330.344 2.257 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878650161 1200598084 /nfs/dbraw/zinc/59/80/84/1200598084.db2.gz PQAMCLXHGBBHCA-HNNXBMFYSA-N 1 0 345.403 2.417 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000826068056 1200652690 /nfs/dbraw/zinc/65/26/90/1200652690.db2.gz BFLBMZDFESHDSF-ZDUSSCGKSA-N 1 0 340.399 2.116 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000826105280 1201034942 /nfs/dbraw/zinc/03/49/42/1201034942.db2.gz ULXCKVDCAGZQDQ-GOSISDBHSA-N 1 0 347.415 2.232 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000826112702 1201145215 /nfs/dbraw/zinc/14/52/15/1201145215.db2.gz KAWSMZVHINWPTF-QGZVFWFLSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(F)(F)F ZINC000866465785 1201525095 /nfs/dbraw/zinc/52/50/95/1201525095.db2.gz VHCZUDPJVLPYDT-YGRLFVJLSA-N 1 0 347.337 2.465 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000866707451 1201585777 /nfs/dbraw/zinc/58/57/77/1201585777.db2.gz ADOKWJVXDHPHIL-DZGCQCFKSA-N 1 0 335.379 2.219 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000129026236 1201703155 /nfs/dbraw/zinc/70/31/55/1201703155.db2.gz DUOKZEKDHZQADQ-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO C[C@@](N)(C(=O)N1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867982721 1201720393 /nfs/dbraw/zinc/72/03/93/1201720393.db2.gz VBFCAXLOFJVVEY-AWEZNQCLSA-N 1 0 339.342 2.417 20 5 EEBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000868074669 1201738488 /nfs/dbraw/zinc/73/84/88/1201738488.db2.gz OUFOJEJANNPALW-CYBMUJFWSA-N 1 0 347.293 2.099 20 5 EEBDRO C[C@@]1([NH3+])CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000868079373 1201739643 /nfs/dbraw/zinc/73/96/43/1201739643.db2.gz WYWQJDYVWRFTCL-CYBMUJFWSA-N 1 0 329.809 2.290 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000881960202 1201794789 /nfs/dbraw/zinc/79/47/89/1201794789.db2.gz IIUJSAYVMQTMKB-CQSZACIVSA-N 1 0 344.415 2.383 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726580 1201929445 /nfs/dbraw/zinc/92/94/45/1201929445.db2.gz XXFLZYAPWKBLQE-ZDUSSCGKSA-N 1 0 340.811 2.381 20 5 EEBDRO [NH3+][C@H](CC1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153862 1202243555 /nfs/dbraw/zinc/24/35/55/1202243555.db2.gz UEFZCWMEUWLIMX-MRXNPFEDSA-N 1 0 333.388 2.092 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000884518024 1202330257 /nfs/dbraw/zinc/33/02/57/1202330257.db2.gz CFVAOMSSKCPZJE-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000886424095 1202506592 /nfs/dbraw/zinc/50/65/92/1202506592.db2.gz ZIEPILXKIHOUHE-SJORKVTESA-N 1 0 332.404 2.009 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829893 1204721931 /nfs/dbraw/zinc/72/19/31/1204721931.db2.gz YVYHONFXGMIXDO-UHFFFAOYSA-N 1 0 347.371 2.070 20 5 EEBDRO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000930767502 1206581229 /nfs/dbraw/zinc/58/12/29/1206581229.db2.gz AFJBLEMLYWUZMR-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000932375115 1207593244 /nfs/dbraw/zinc/59/32/44/1207593244.db2.gz JSNDPTBZOQDKKW-MAUKXSAKSA-N 1 0 343.383 2.470 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933904609 1207866714 /nfs/dbraw/zinc/86/67/14/1207866714.db2.gz ZCNKHPNWSYMBLZ-HNNXBMFYSA-N 1 0 349.387 2.069 20 5 EEBDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934233367 1207927729 /nfs/dbraw/zinc/92/77/29/1207927729.db2.gz GKVUZEXHWOSMNR-ZDUSSCGKSA-N 1 0 340.383 2.100 20 5 EEBDRO CN(CCCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001095769787 1208501335 /nfs/dbraw/zinc/50/13/35/1208501335.db2.gz HXBYEZVRIHWBBF-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000796450891 1218209870 /nfs/dbraw/zinc/20/98/70/1218209870.db2.gz YGYVGAXJWCNGQZ-UONOGXRCSA-N 1 0 348.321 2.408 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796588625 1221450604 /nfs/dbraw/zinc/45/06/04/1221450604.db2.gz VEJNWLLRLQAMFN-ZBFHGGJFSA-N 1 0 335.404 2.009 20 5 EEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900305637 1234184564 /nfs/dbraw/zinc/18/45/64/1234184564.db2.gz KLIZNENPZPCMTN-SECBINFHSA-N 1 0 329.759 2.459 20 5 EEBDRO Nc1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000800847066 1234670538 /nfs/dbraw/zinc/67/05/38/1234670538.db2.gz KVJUAMMRRMRUDV-UHFFFAOYSA-N 1 0 341.415 2.411 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096110544 1234952046 /nfs/dbraw/zinc/95/20/46/1234952046.db2.gz GGYFQDKLTFNVGI-UHFFFAOYSA-N 1 0 348.447 2.362 20 5 EEBDRO CC(C)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048640844 1238166348 /nfs/dbraw/zinc/16/63/48/1238166348.db2.gz NHBKFRAOQZIFIK-OKILXGFUSA-N 1 0 335.379 2.233 20 5 EEBDRO Cc1ccc(F)c(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001001400019 1242197371 /nfs/dbraw/zinc/19/73/71/1242197371.db2.gz PIHWACJBQXQZDN-NVXWUHKLSA-N 1 0 349.406 2.128 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001097053431 1243631024 /nfs/dbraw/zinc/63/10/24/1243631024.db2.gz QAHXGKYVLDEHLR-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850562884 1277265845 /nfs/dbraw/zinc/26/58/45/1277265845.db2.gz PWYZBUWOTBTZMI-SJKOYZFVSA-N 1 0 337.420 2.395 20 5 EEBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000851126283 1277482343 /nfs/dbraw/zinc/48/23/43/1277482343.db2.gz CJDDFRLEYCAPMG-UHFFFAOYSA-N 1 0 349.431 2.429 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000867282494 1285251022 /nfs/dbraw/zinc/25/10/22/1285251022.db2.gz OKUZDEWBWJKLSN-LLVKDONJSA-N 1 0 347.412 2.049 20 5 EEBDRO Cc1c(CN2CCN(c3cc(F)ncn3)CC2)cccc1[N+](=O)[O-] ZINC000852130530 1292002855 /nfs/dbraw/zinc/00/28/55/1292002855.db2.gz SIDCQIQWEFRPBK-UHFFFAOYSA-N 1 0 331.351 2.155 20 5 EEBDRO CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112200260 1292753385 /nfs/dbraw/zinc/75/33/85/1292753385.db2.gz NFHSYKCDSGOINV-QGZVFWFLSA-N 1 0 346.387 2.051 20 5 EEBDRO CC1(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000857768299 1293911321 /nfs/dbraw/zinc/91/13/21/1293911321.db2.gz OWXSSRGYRBKVRJ-UHFFFAOYSA-N 1 0 343.330 2.072 20 5 EEBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CCC[NH2+]C1 ZINC001217963320 1297539393 /nfs/dbraw/zinc/53/93/93/1297539393.db2.gz USJNWXRJUHDVKW-SECBINFHSA-N 1 0 348.140 2.330 20 5 EEBDRO CSCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222325284 1299479480 /nfs/dbraw/zinc/47/94/80/1299479480.db2.gz LSLHDXRYTAIUAX-UHFFFAOYSA-N 1 0 337.445 2.286 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001222770885 1299846192 /nfs/dbraw/zinc/84/61/92/1299846192.db2.gz OCDJSUPCPVTPDM-MWDXBVQZSA-N 1 0 334.372 2.278 20 5 EEBDRO COC(=O)c1cc(OC)c(CO[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001223589750 1300186564 /nfs/dbraw/zinc/18/65/64/1300186564.db2.gz CKJBMBDSPMYHNS-LBPRGKRZSA-N 1 0 326.413 2.102 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](OCCOCCC[N+](C)(C)C)C1 ZINC001224621631 1300673115 /nfs/dbraw/zinc/67/31/15/1300673115.db2.gz YIZVMSHIEVUFSX-HNNXBMFYSA-N 1 0 331.477 2.125 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001226068513 1301251511 /nfs/dbraw/zinc/25/15/11/1301251511.db2.gz SFMXCOYEVCMONV-LLVKDONJSA-N 1 0 330.406 2.107 20 5 EEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)C2 ZINC001226167292 1301282234 /nfs/dbraw/zinc/28/22/34/1301282234.db2.gz HGJXFQJFWSPWMT-IMRBUKKESA-N 1 0 333.388 2.476 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C2CCC(=O)CC2)cc1 ZINC001226819991 1301568279 /nfs/dbraw/zinc/56/82/79/1301568279.db2.gz UUBKRXQDNNCKLT-QGZVFWFLSA-N 1 0 334.436 2.276 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[nH]c(=O)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001227091743 1301682509 /nfs/dbraw/zinc/68/25/09/1301682509.db2.gz MNDPTFYSNCJSMQ-IAZYJMLFSA-N 1 0 330.344 2.248 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[nH]c(=O)nc3cc([N+](=O)[O-])ccc31)C2 ZINC001228239876 1302170693 /nfs/dbraw/zinc/17/06/93/1302170693.db2.gz CIMQEIYUCNQYDF-PEGIJTEDSA-N 1 0 330.344 2.248 20 5 EEBDRO C[NH+]1CCN(C2CN(Cc3ccc4ccc5cccnc5c4n3)C2)CC1 ZINC001232225525 1304043858 /nfs/dbraw/zinc/04/38/58/1304043858.db2.gz DANMHKCYIHXUQP-UHFFFAOYSA-N 1 0 347.466 2.215 20 5 EEBDRO Cc1ncncc1C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001234421888 1304916600 /nfs/dbraw/zinc/91/66/00/1304916600.db2.gz GTTIBXDTKIZXPS-UHFFFAOYSA-N 1 0 349.416 2.007 20 5 EEBDRO COC(=O)c1nc(O[C@@H](C)C[N+](C)(C)C)c(Br)cc1C ZINC001234487818 1304940387 /nfs/dbraw/zinc/94/03/87/1304940387.db2.gz WAAPYGLPFRBDCG-JTQLQIEISA-N 1 0 346.245 2.413 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC001119343685 1309054184 /nfs/dbraw/zinc/05/41/84/1309054184.db2.gz LHVPOFWFCIPTLV-NVXWUHKLSA-N 1 0 342.399 2.178 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001122081864 1310215778 /nfs/dbraw/zinc/21/57/78/1310215778.db2.gz COWICGXRFVQTHJ-JTQLQIEISA-N 1 0 329.809 2.073 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCCC[NH2+]C2)c1F ZINC001246089370 1310233420 /nfs/dbraw/zinc/23/34/20/1310233420.db2.gz DLBJAPYMTGDUFI-NEPJUHHUSA-N 1 0 325.384 2.405 20 5 EEBDRO COc1cc(N2CCC(N3CC[C@@H]4[NH2+]CC[C@H]43)CC2)ccc1[N+](=O)[O-] ZINC001246635527 1310365969 /nfs/dbraw/zinc/36/59/69/1310365969.db2.gz SATCVAIVKSHJNN-JKSUJKDBSA-N 1 0 346.431 2.008 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CC3(C2)CC[NH2+]CC3)n1 ZINC001247856997 1310750514 /nfs/dbraw/zinc/75/05/14/1310750514.db2.gz DWKADWMNJYPKCA-UHFFFAOYSA-N 1 0 333.323 2.426 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC23CCC[NH+]2CCC3)n1 ZINC001248336036 1310890389 /nfs/dbraw/zinc/89/03/89/1310890389.db2.gz FAUDDYOWGYCHMP-UHFFFAOYSA-N 1 0 333.323 2.350 20 5 EEBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162454889 1320860874 /nfs/dbraw/zinc/86/08/74/1320860874.db2.gz BAUXZZLOWIEYCZ-PWSUYJOCSA-N 1 0 336.392 2.132 20 5 EEBDRO [NH3+]CCCCCCCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000830355529 1314533939 /nfs/dbraw/zinc/53/39/39/1314533939.db2.gz JNMWDEDDHJSUOD-UHFFFAOYSA-N 1 0 332.198 2.428 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834353443 1314827118 /nfs/dbraw/zinc/82/71/18/1314827118.db2.gz HVCRHTDITJWHQK-BVGQSLNGSA-N 1 0 330.384 2.382 20 5 EEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839676221 1315230666 /nfs/dbraw/zinc/23/06/66/1315230666.db2.gz WJBDUEVJVMMCPO-RYUDHWBXSA-N 1 0 339.367 2.155 20 5 EEBDRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842477018 1315712799 /nfs/dbraw/zinc/71/27/99/1315712799.db2.gz ASKSGZOPYQGPMS-OAHLLOKOSA-N 1 0 338.795 2.015 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000842892231 1315793347 /nfs/dbraw/zinc/79/33/47/1315793347.db2.gz IGYNGCUYGPOGHS-UHFFFAOYSA-N 1 0 347.824 2.059 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843306541 1315887279 /nfs/dbraw/zinc/88/72/79/1315887279.db2.gz UAQYHKXDQBVBRN-CMPLNLGQSA-N 1 0 336.348 2.153 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](C[NH3+])C[C@H]1C ZINC000843363042 1315900856 /nfs/dbraw/zinc/90/08/56/1315900856.db2.gz YAHKIOJVTAFGLE-MXWKQRLJSA-N 1 0 340.811 2.244 20 5 EEBDRO CC(C)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000843376435 1315903928 /nfs/dbraw/zinc/90/39/28/1315903928.db2.gz JDVHNPNQWRYSTA-CYBMUJFWSA-N 1 0 340.811 2.117 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458482 1315919085 /nfs/dbraw/zinc/91/90/85/1315919085.db2.gz YQOLLDCKQODYFI-UHFFFAOYSA-N 1 0 343.387 2.287 20 5 EEBDRO COc1ccncc1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249343070 1317057032 /nfs/dbraw/zinc/05/70/32/1317057032.db2.gz VDEOUHAFKHGXPW-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155230022 1317513195 /nfs/dbraw/zinc/51/31/95/1317513195.db2.gz HADXVVDQUXNRNR-ZDUSSCGKSA-N 1 0 349.391 2.014 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)nc21 ZINC001155458814 1317604886 /nfs/dbraw/zinc/60/48/86/1317604886.db2.gz LSKYNGIRBWUZLN-GFCCVEGCSA-N 1 0 340.387 2.494 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155616459 1317675417 /nfs/dbraw/zinc/67/54/17/1317675417.db2.gz DMCMVHIOLJZYHU-HZMBPMFUSA-N 1 0 326.784 2.275 20 5 EEBDRO CCc1ocnc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156029669 1317839879 /nfs/dbraw/zinc/83/98/79/1317839879.db2.gz PUZUMFBYSAFVLK-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO COc1nc(-n2cncc2C[NH2+]Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001156482910 1318032958 /nfs/dbraw/zinc/03/29/58/1318032958.db2.gz ZQAPUZGUBODRCH-UHFFFAOYSA-N 1 0 339.355 2.474 20 5 EEBDRO C[NH+]1CCC2(CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)CC1 ZINC001156563901 1318076135 /nfs/dbraw/zinc/07/61/35/1318076135.db2.gz MNMGTHQVHFPWIH-UHFFFAOYSA-N 1 0 325.800 2.350 20 5 EEBDRO CCOC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465556 1318081087 /nfs/dbraw/zinc/08/10/87/1318081087.db2.gz CORNGYDOJRHVOX-CYBMUJFWSA-N 1 0 335.404 2.495 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1 ZINC001254467059 1318081139 /nfs/dbraw/zinc/08/11/39/1318081139.db2.gz UXWVFHGNYUICBM-CQSZACIVSA-N 1 0 341.415 2.449 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001254548251 1318117888 /nfs/dbraw/zinc/11/78/88/1318117888.db2.gz MHQGGYHLVIPVIY-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CC1 ZINC001254586992 1318134946 /nfs/dbraw/zinc/13/49/46/1318134946.db2.gz NTURAGMUERUDDU-ULQDDVLXSA-N 1 0 343.427 2.489 20 5 EEBDRO CN(C)C(=O)[C@H]1CC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254593724 1318136332 /nfs/dbraw/zinc/13/63/32/1318136332.db2.gz AXWBTRXUXDSJGZ-DLBZAZTESA-N 1 0 343.427 2.252 20 5 EEBDRO Cc1ccc(-c2ccc(-n3ccc(C[NH3+])cc3=N)nn2)cc1[N+](=O)[O-] ZINC001156850532 1318242915 /nfs/dbraw/zinc/24/29/15/1318242915.db2.gz KXOMDQFDLFWBOO-UHFFFAOYSA-N 1 0 336.355 2.089 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001156922638 1318289871 /nfs/dbraw/zinc/28/98/71/1318289871.db2.gz LDRAGAZHZOIIRG-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])[C@@H]1C ZINC001157733638 1318825146 /nfs/dbraw/zinc/82/51/46/1318825146.db2.gz RFHDFSVRRJRSIJ-WCBMZHEXSA-N 1 0 342.783 2.136 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc4c(cccc4[N+](=O)[O-])n3)n2)c1 ZINC001158042638 1318981531 /nfs/dbraw/zinc/98/15/31/1318981531.db2.gz AAYPYYDHTCYKMU-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO CCc1cc(-n2cc(CC[NH3+])cn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158104331 1319017231 /nfs/dbraw/zinc/01/72/31/1319017231.db2.gz ABESWFVLNMBLSX-UHFFFAOYSA-N 1 0 338.371 2.301 20 5 EEBDRO Cc1nc(CC[NH3+])nn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001158133165 1319035928 /nfs/dbraw/zinc/03/59/28/1319035928.db2.gz XDAMBBAUMUOWLX-UHFFFAOYSA-N 1 0 332.751 2.187 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260237 1319121225 /nfs/dbraw/zinc/12/12/25/1319121225.db2.gz YZJFMGNFRIKHKR-CYBMUJFWSA-N 1 0 341.415 2.145 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001158479292 1319260389 /nfs/dbraw/zinc/26/03/89/1319260389.db2.gz XJPJZRNICXENHZ-UHFFFAOYSA-N 1 0 327.388 2.203 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3nc(Cl)cc(Cl)c3[N+](=O)[O-])c2c1 ZINC001159028385 1319567950 /nfs/dbraw/zinc/56/79/50/1319567950.db2.gz CBDZHGLCEXAYCQ-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1C[NH2+]CCO1 ZINC001159501438 1319844717 /nfs/dbraw/zinc/84/47/17/1319844717.db2.gz IXYWNBGQCGXTOV-SWLSCSKDSA-N 1 0 328.372 2.446 20 5 EEBDRO Cc1ccncc1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001160204427 1320097843 /nfs/dbraw/zinc/09/78/43/1320097843.db2.gz XPMXPZUGWDRPLV-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO Nc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001161245976 1320432464 /nfs/dbraw/zinc/43/24/64/1320432464.db2.gz IWLNWYIZVWKANE-UHFFFAOYSA-N 1 0 342.403 2.291 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001162854410 1320974935 /nfs/dbraw/zinc/97/49/35/1320974935.db2.gz SUWFNYPRCKICIK-ZDUSSCGKSA-N 1 0 327.340 2.403 20 5 EEBDRO O=[N+]([O-])c1cc(NCc2nnc3n2CCC[NH2+]C3)cc2ccccc21 ZINC001163027273 1321019006 /nfs/dbraw/zinc/01/90/06/1321019006.db2.gz MSJJTSBFOIGTBT-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163050866 1321024038 /nfs/dbraw/zinc/02/40/38/1321024038.db2.gz WPXALVXMJUFIRF-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163080443 1321029939 /nfs/dbraw/zinc/02/99/39/1321029939.db2.gz GITLOKWBYQZCLS-INIZCTEOSA-N 1 0 335.404 2.481 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1OC(F)(F)F ZINC001163104819 1321036915 /nfs/dbraw/zinc/03/69/15/1321036915.db2.gz GCZIOTLEHDUKHB-ZDSQKVDBSA-N 1 0 347.293 2.140 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)n1 ZINC001163134504 1321047818 /nfs/dbraw/zinc/04/78/18/1321047818.db2.gz XQZPXGQPJCDGFC-UHFFFAOYSA-N 1 0 329.404 2.153 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163220170 1321070258 /nfs/dbraw/zinc/07/02/58/1321070258.db2.gz BDKALVRPRXTDGV-NSHDSACASA-N 1 0 334.357 2.094 20 5 EEBDRO COC(=O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(O)cc1 ZINC001163500291 1321141727 /nfs/dbraw/zinc/14/17/27/1321141727.db2.gz OOVYTIJUEDEGOH-MRXNPFEDSA-N 1 0 343.339 2.230 20 5 EEBDRO O=C(NCCC1(C[NH2+]C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164491057 1321395072 /nfs/dbraw/zinc/39/50/72/1321395072.db2.gz YSYYHJJUPUZYMR-GGVHLCNSSA-N 1 0 343.427 2.241 20 5 EEBDRO CC(C)(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494749 1321396038 /nfs/dbraw/zinc/39/60/38/1321396038.db2.gz QGJCKOPZNINUBP-ZIAGYGMSSA-N 1 0 325.453 2.354 20 5 EEBDRO Nc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165266949 1321487441 /nfs/dbraw/zinc/48/74/41/1321487441.db2.gz WXYCYGRMRSDLPR-LBPRGKRZSA-N 1 0 345.325 2.083 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1Cl ZINC001165430441 1321524949 /nfs/dbraw/zinc/52/49/49/1321524949.db2.gz NGISFGHEDDUMHO-NXEZZACHSA-N 1 0 328.775 2.465 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001166471380 1321723963 /nfs/dbraw/zinc/72/39/63/1321723963.db2.gz MBTODMQUKOSEEI-UHFFFAOYSA-N 1 0 335.385 2.460 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ocnc1C1CC1 ZINC001166599041 1321747252 /nfs/dbraw/zinc/74/72/52/1321747252.db2.gz BUDLXVHGZDXMQZ-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cc1cc(Cl)nc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)c1[N+](=O)[O-] ZINC001166700593 1321769222 /nfs/dbraw/zinc/76/92/22/1321769222.db2.gz KKHJWJFTYSXJQF-SECBINFHSA-N 1 0 334.767 2.041 20 5 EEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263239523 1322447469 /nfs/dbraw/zinc/44/74/69/1322447469.db2.gz OAQHGZKJUMCSPY-BSDSXHPESA-N 1 0 337.379 2.439 20 5 EEBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CC(C)C)CC1 ZINC001263416174 1322478048 /nfs/dbraw/zinc/47/80/48/1322478048.db2.gz YTWTWECRWZFZLU-AWEZNQCLSA-N 1 0 338.456 2.050 20 5 EEBDRO COc1ncc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001210137794 1325174153 /nfs/dbraw/zinc/17/41/53/1325174153.db2.gz GJPXCDOYSTVYSD-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC([NH+]3CCCC3)C2)cc1C ZINC001307161806 1331513799 /nfs/dbraw/zinc/51/37/99/1331513799.db2.gz RLCPGAFMYQKQER-UHFFFAOYSA-N 1 0 333.388 2.364 20 5 EEBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccn1 ZINC001308346529 1331584826 /nfs/dbraw/zinc/58/48/26/1331584826.db2.gz ZBKFQNKFAHPYOV-KRWDZBQOSA-N 1 0 340.383 2.271 20 5 EEBDRO O=c1[nH]c2cc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)ccc2o1 ZINC001308931438 1331609253 /nfs/dbraw/zinc/60/92/53/1331609253.db2.gz SAPOLXFYBIXZSJ-UHFFFAOYSA-N 1 0 329.316 2.131 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001318389972 1332521949 /nfs/dbraw/zinc/52/19/49/1332521949.db2.gz KCICEAARTZLWHD-ZIAGYGMSSA-N 1 0 331.376 2.074 20 5 EEBDRO CN(CC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001318866499 1332614542 /nfs/dbraw/zinc/61/45/42/1332614542.db2.gz RGVXOCXYYOPGGO-KBPBESRZSA-N 1 0 334.420 2.020 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319560964 1332721434 /nfs/dbraw/zinc/72/14/34/1332721434.db2.gz XFUUWDXGGGUQIZ-MRXNPFEDSA-N 1 0 348.472 2.312 20 5 EEBDRO C[C@H](Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001609126245 1351852897 /nfs/dbraw/zinc/85/28/97/1351852897.db2.gz LUDLLGUYQRHJCO-JTQLQIEISA-N 1 0 333.396 2.163 20 5 EEBDRO C[C@@H](Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001609126246 1351853118 /nfs/dbraw/zinc/85/31/18/1351853118.db2.gz LUDLLGUYQRHJCO-SNVBAGLBSA-N 1 0 333.396 2.163 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001328221509 1334417897 /nfs/dbraw/zinc/41/78/97/1334417897.db2.gz SHAKNBNEPLWYDN-SECBINFHSA-N 1 0 327.406 2.053 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001330143425 1334784176 /nfs/dbraw/zinc/78/41/76/1334784176.db2.gz XCSAAWIHANDUBT-CYBMUJFWSA-N 1 0 332.404 2.352 20 5 EEBDRO C[NH+](C)CCOCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001333708158 1336110631 /nfs/dbraw/zinc/11/06/31/1336110631.db2.gz DQWBGJGLDBMTHW-UHFFFAOYSA-N 1 0 339.783 2.182 20 5 EEBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001336080772 1336476317 /nfs/dbraw/zinc/47/63/17/1336476317.db2.gz LZARDBIJEKMPJA-LLVKDONJSA-N 1 0 327.743 2.211 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC001336909090 1336614884 /nfs/dbraw/zinc/61/48/84/1336614884.db2.gz XBYWAVRONXDTHR-IUODEOHRSA-N 1 0 332.404 2.282 20 5 EEBDRO C[NH+]1CCN(c2ccc(CCNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC001338316024 1336839192 /nfs/dbraw/zinc/83/91/92/1336839192.db2.gz OPZOVVCHQYYIHE-UHFFFAOYSA-N 1 0 341.415 2.396 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001339466855 1337009623 /nfs/dbraw/zinc/00/96/23/1337009623.db2.gz JQOOZWFVXLASBH-UHFFFAOYSA-N 1 0 348.407 2.388 20 5 EEBDRO C[C@@H](COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCOCC1 ZINC001344309309 1337389256 /nfs/dbraw/zinc/38/92/56/1337389256.db2.gz FBWIOTKGXQWESU-GFCCVEGCSA-N 1 0 347.371 2.201 20 5 EEBDRO CC(C)[C@H]([NH3+])CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001575835095 1343899777 /nfs/dbraw/zinc/89/97/77/1343899777.db2.gz ONVSSWVAQHQYRS-CYBMUJFWSA-N 1 0 346.387 2.011 20 5 EEBDRO Cc1c(NC(=O)N(C)C2C[NH2+]C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539444 1344393695 /nfs/dbraw/zinc/39/36/95/1344393695.db2.gz GPGZEAVSHGBPMX-UHFFFAOYSA-N 1 0 332.282 2.358 20 5 EEBDRO CC[NH+](CC)[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590688839 1349389648 /nfs/dbraw/zinc/38/96/48/1349389648.db2.gz XSMDWDDQFXVUKV-LLVKDONJSA-N 1 0 333.396 2.226 20 5 EEBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1-c1nn[nH]n1 ZINC001593465212 1349802130 /nfs/dbraw/zinc/80/21/30/1349802130.db2.gz JVAKLANXBLJERE-GXTWGEPZSA-N 1 0 343.391 2.204 20 5 EEBDRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001603262132 1350673900 /nfs/dbraw/zinc/67/39/00/1350673900.db2.gz AJGCDPHBLXVRSE-LBPRGKRZSA-N 1 0 333.396 2.163 20 5 EEBDRO CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC(C)(C)[NH2+]1 ZINC001603765731 1350761222 /nfs/dbraw/zinc/76/12/22/1350761222.db2.gz WOAPBLATILOMKC-UHFFFAOYSA-N 1 0 345.407 2.496 20 5 EEBDRO CC[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001604063338 1350844516 /nfs/dbraw/zinc/84/45/16/1350844516.db2.gz YDYQGLQHBFCQPN-HIFRSBDPSA-N 1 0 346.391 2.212 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853560083 1369350625 /nfs/dbraw/zinc/35/06/25/1369350625.db2.gz LJBGLIKEWQHEQT-QGZVFWFLSA-N 1 0 343.431 2.306 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000853659070 1369364998 /nfs/dbraw/zinc/36/49/98/1369364998.db2.gz ZJIYCRDDDCDEIW-UHFFFAOYSA-N 1 0 325.384 2.311 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853700505 1369369915 /nfs/dbraw/zinc/36/99/15/1369369915.db2.gz LPEDYIQCZBIAGG-UHFFFAOYSA-N 1 0 337.420 2.459 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368546626 1369813023 /nfs/dbraw/zinc/81/30/23/1369813023.db2.gz VVKZYFHBDBXNHC-ONXXMXGDSA-N 1 0 333.388 2.301 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532604 1371308105 /nfs/dbraw/zinc/30/81/05/1371308105.db2.gz XTMDLQHWUPEYOJ-RYUDHWBXSA-N 1 0 338.383 2.087 20 5 EEBDRO COC[C@@]1(c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CC[NH2+]C1 ZINC001118102639 1371777052 /nfs/dbraw/zinc/77/70/52/1371777052.db2.gz GOKPOQCYXAFMKJ-MRXNPFEDSA-N 1 0 332.360 2.139 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001100407044 1373035173 /nfs/dbraw/zinc/03/51/73/1373035173.db2.gz CBDKJXBITDVVQQ-UHFFFAOYSA-N 1 0 346.431 2.084 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)c1 ZINC000848627776 1373161717 /nfs/dbraw/zinc/16/17/17/1373161717.db2.gz KWHPTZKZZMNGOZ-SUMWQHHRSA-N 1 0 344.371 2.434 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001576469408 1403575641 /nfs/dbraw/zinc/57/56/41/1403575641.db2.gz NRLFQECWODPFSD-KRWDZBQOSA-N 1 0 346.431 2.243 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001578480899 1403762343 /nfs/dbraw/zinc/76/23/43/1403762343.db2.gz OHSHZVWYYYMWHB-OAHLLOKOSA-N 1 0 331.416 2.376 20 5 EEBDRO [NH3+]CC1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC001580245214 1403853242 /nfs/dbraw/zinc/85/32/42/1403853242.db2.gz FETJFOCFOIMKQK-UHFFFAOYSA-N 1 0 347.824 2.188 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC001580268770 1403855283 /nfs/dbraw/zinc/85/52/83/1403855283.db2.gz MXTBKZBJSDSBGF-KWQFWETISA-N 1 0 332.282 2.196 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001592135272 1404002357 /nfs/dbraw/zinc/00/23/57/1404002357.db2.gz HUCAWMNDRCKEKP-NSHDSACASA-N 1 0 339.359 2.329 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC001165037388 721908220 /nfs/dbraw/zinc/90/82/20/721908220.db2.gz GBUPNSKWSYKUEC-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1nn(CCC(=O)OCC[C@@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000840220820 782430977 /nfs/dbraw/zinc/43/09/77/782430977.db2.gz IWBAJLIMZCLCOX-AWEZNQCLSA-N 1 0 338.408 2.216 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)no1 ZINC001167462293 759675813 /nfs/dbraw/zinc/67/58/13/759675813.db2.gz MISABWCPZOKKQD-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001100584149 760411306 /nfs/dbraw/zinc/41/13/06/760411306.db2.gz WHUREVOJPGSYJY-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO O=C(CCC1CCOCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167583720 760448211 /nfs/dbraw/zinc/44/82/11/760448211.db2.gz FJUXMIVUONPSRU-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CC(C)N(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001125665158 760987361 /nfs/dbraw/zinc/98/73/61/760987361.db2.gz BZTHHNFUWGSUMX-UHFFFAOYSA-N 1 0 336.436 2.220 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000920758939 770854554 /nfs/dbraw/zinc/85/45/54/770854554.db2.gz SKCIGSHVIIKBLR-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO COC(=O)Cc1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001167994053 781489957 /nfs/dbraw/zinc/48/99/57/781489957.db2.gz BLBNJOFCQNVOKZ-UHFFFAOYSA-N 1 0 346.318 2.481 20 5 EEBDRO CC(C)(C)n1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001128579675 783256810 /nfs/dbraw/zinc/25/68/10/783256810.db2.gz XNPQYXXMQAOPQS-UHFFFAOYSA-N 1 0 345.403 2.066 20 5 EEBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[N@@H+]1C ZINC000817293406 784661022 /nfs/dbraw/zinc/66/10/22/784661022.db2.gz QDZVLEJORDPTQO-ZDUSSCGKSA-N 1 0 338.383 2.089 20 5 EEBDRO O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819060984 785380517 /nfs/dbraw/zinc/38/05/17/785380517.db2.gz MXVHAXSKMCOFOI-INIZCTEOSA-N 1 0 329.356 2.007 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000819170810 785445008 /nfs/dbraw/zinc/44/50/08/785445008.db2.gz ARILXNAHQBOVSB-HZPDHXFCSA-N 1 0 344.367 2.448 20 5 EEBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCCCC1 ZINC000819172243 785446452 /nfs/dbraw/zinc/44/64/52/785446452.db2.gz XBFKKJMUQFDGGV-DLBZAZTESA-N 1 0 347.415 2.151 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000819255887 785469768 /nfs/dbraw/zinc/46/97/68/785469768.db2.gz GHDMSDMSIBCRHO-WBVHZDCISA-N 1 0 332.404 2.391 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000819298033 785489594 /nfs/dbraw/zinc/48/95/94/785489594.db2.gz ARHBYWYJUURNGP-ZDUSSCGKSA-N 1 0 339.298 2.414 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910270447 786597347 /nfs/dbraw/zinc/59/73/47/786597347.db2.gz MTTHNMPEYKNVCH-NSHDSACASA-N 1 0 339.367 2.299 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910294317 786653672 /nfs/dbraw/zinc/65/36/72/786653672.db2.gz OYPUAQRNAYEIAC-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000910850375 787070538 /nfs/dbraw/zinc/07/05/38/787070538.db2.gz IDEHYUPWLMOCOU-UHFFFAOYSA-N 1 0 349.431 2.150 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001107392087 787106738 /nfs/dbraw/zinc/10/67/38/787106738.db2.gz SZUTXGJKAZJANL-FPLPWBNLSA-N 1 0 349.435 2.113 20 5 EEBDRO O=C(NCCC[NH+]1CCCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823985173 788009275 /nfs/dbraw/zinc/00/92/75/788009275.db2.gz YXTXFGJCAIJMGV-INIZCTEOSA-N 1 0 335.404 2.011 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3ncc(F)c4cc([N+](=O)[O-])ccc43)c2c1 ZINC001170021953 806002484 /nfs/dbraw/zinc/00/24/84/806002484.db2.gz IZGAIZGSEFLFFX-UHFFFAOYSA-N 1 0 338.302 2.475 20 5 EEBDRO Cc1nc[nH]c1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997436131 789905528 /nfs/dbraw/zinc/90/55/28/789905528.db2.gz KPTVEHLJJWLIPT-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CCN1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000846097213 790061251 /nfs/dbraw/zinc/06/12/51/790061251.db2.gz NTYMVCQARNGRLC-CQSZACIVSA-N 1 0 346.431 2.022 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601031 791220384 /nfs/dbraw/zinc/22/03/84/791220384.db2.gz GTFVSELJYWBEGT-RYUDHWBXSA-N 1 0 336.392 2.370 20 5 EEBDRO CCCc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001147711952 791921700 /nfs/dbraw/zinc/92/17/00/791921700.db2.gz GXVLPVBEXXNGDN-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO CC(C)Cc1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001127267256 795068520 /nfs/dbraw/zinc/06/85/20/795068520.db2.gz VKTWNXQRAGDLQU-UHFFFAOYSA-N 1 0 345.403 2.036 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC001093752851 795658315 /nfs/dbraw/zinc/65/83/15/795658315.db2.gz GYTCYBRQGHSTOW-UHFFFAOYSA-N 1 0 343.387 2.206 20 5 EEBDRO Cc1cc(NCCNC(=O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001093823728 795709241 /nfs/dbraw/zinc/70/92/41/795709241.db2.gz OHQKBJUDOKEGQV-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCN(C3COC3)C1)CC2 ZINC001172902048 797129679 /nfs/dbraw/zinc/12/96/79/797129679.db2.gz UFPYHJCBSOAMPA-IAGOWNOFSA-N 1 0 345.443 2.295 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCN([C@H]3CCOC3)CC1)CC2 ZINC001172907475 797133439 /nfs/dbraw/zinc/13/34/39/797133439.db2.gz FHKMPCJUPCHGRS-MJGOQNOKSA-N 1 0 345.443 2.249 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)CC2 ZINC001172914162 797147943 /nfs/dbraw/zinc/14/79/43/797147943.db2.gz DJJCJEOBBKQCSD-PKOBYXMFSA-N 1 0 345.443 2.249 20 5 EEBDRO CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913544 797172101 /nfs/dbraw/zinc/17/21/01/797172101.db2.gz RORGHEZIZJXKJO-AEFFLSMTSA-N 1 0 331.416 2.395 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1O ZINC001173010110 797195279 /nfs/dbraw/zinc/19/52/79/797195279.db2.gz MNEDRGMWRKBFPH-ZUZCIYMTSA-N 1 0 341.358 2.154 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCC[C@H]3CO)CC2)c(F)c1 ZINC001173010242 797195863 /nfs/dbraw/zinc/19/58/63/797195863.db2.gz OSINDEGUYWNBSL-LBPRGKRZSA-N 1 0 341.358 2.299 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H](CO)C3)CC2)c(F)c1 ZINC001173013074 797196550 /nfs/dbraw/zinc/19/65/50/797196550.db2.gz MDNAHDMITFQIJS-NSHDSACASA-N 1 0 341.358 2.156 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095197688 797482442 /nfs/dbraw/zinc/48/24/42/797482442.db2.gz DAPWBXMXHLCXRT-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001095246611 797558513 /nfs/dbraw/zinc/55/85/13/797558513.db2.gz XPKOSYPYIGKGCU-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CC(C)CC(=O)NCCCCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001177783855 799120670 /nfs/dbraw/zinc/12/06/70/799120670.db2.gz JOINKNPZOVRQAY-UHFFFAOYSA-N 1 0 339.440 2.141 20 5 EEBDRO Cc1ncoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086055857 802025601 /nfs/dbraw/zinc/02/56/01/802025601.db2.gz NTGQDTCAVYCPJU-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO COCCCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155510736 802589792 /nfs/dbraw/zinc/58/97/92/802589792.db2.gz ICGOFFFSWFGWOQ-UHFFFAOYSA-N 1 0 329.422 2.069 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363470 802829781 /nfs/dbraw/zinc/82/97/81/802829781.db2.gz VXUBLEIRUNEIEL-DGCUDZEOSA-N 1 0 343.427 2.214 20 5 EEBDRO CN1CCc2c(-n3cnc4ccc(C[NH3+])cc43)ccc([N+](=O)[O-])c2C1 ZINC001168845824 803479600 /nfs/dbraw/zinc/47/96/00/803479600.db2.gz GPKPPNJUMFTOOF-UHFFFAOYSA-N 1 0 337.383 2.380 20 5 EEBDRO O=C(N1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168966609 803552791 /nfs/dbraw/zinc/55/27/91/803552791.db2.gz JTOBXOXYDPKDQE-GOEBONIOSA-N 1 0 338.452 2.092 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001488 803566711 /nfs/dbraw/zinc/56/67/11/803566711.db2.gz GLLXLWPUEGUONA-IGQOVBAYSA-N 1 0 345.415 2.369 20 5 EEBDRO O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990390 803573621 /nfs/dbraw/zinc/57/36/21/803573621.db2.gz CGQGXTRWQRFJLS-IHRRRGAJSA-N 1 0 335.379 2.075 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2cc(CN3CC[NH2+]CC3)c3cccnc32)C1 ZINC001169036482 803579998 /nfs/dbraw/zinc/57/99/98/803579998.db2.gz OPZBXMXTFTXTNB-HOCLYGCPSA-N 1 0 343.431 2.059 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)C1 ZINC001169024911 803590614 /nfs/dbraw/zinc/59/06/14/803590614.db2.gz HSVWNGIMHJEFHW-CABCVRRESA-N 1 0 336.436 2.096 20 5 EEBDRO COc1cccnc1N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169057623 803597763 /nfs/dbraw/zinc/59/77/63/803597763.db2.gz WJRWXSCYCCICFP-HIFRSBDPSA-N 1 0 334.420 2.094 20 5 EEBDRO CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790449309 808719073 /nfs/dbraw/zinc/71/90/73/808719073.db2.gz GWPGLWFMPROQOG-LLVKDONJSA-N 1 0 347.462 2.055 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC001170340467 809914309 /nfs/dbraw/zinc/91/43/09/809914309.db2.gz LWNHHNVVQPFUMJ-UGSOOPFHSA-N 1 0 347.415 2.137 20 5 EEBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345025 809915971 /nfs/dbraw/zinc/91/59/71/809915971.db2.gz GLNDUYMURQXPLI-TZMCWYRMSA-N 1 0 336.388 2.419 20 5 EEBDRO COC(=O)C(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792766815 810005126 /nfs/dbraw/zinc/00/51/26/810005126.db2.gz PRYGEABABGHXJN-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC001130636782 811874730 /nfs/dbraw/zinc/87/47/30/811874730.db2.gz ITEBBGAIWKNBIR-UHFFFAOYSA-N 1 0 348.428 2.235 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1C1CC1 ZINC001130825311 812072599 /nfs/dbraw/zinc/07/25/99/812072599.db2.gz FSXDZGNWQIOSLL-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189664787 529430921 /nfs/dbraw/zinc/43/09/21/529430921.db2.gz FTAMYIWJCXMQNM-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659632 232345991 /nfs/dbraw/zinc/34/59/91/232345991.db2.gz BMQIYVAJOJTZFY-SWLSCSKDSA-N 1 0 343.387 2.175 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000068806441 215335973 /nfs/dbraw/zinc/33/59/73/215335973.db2.gz AQNVBFWOYBSRFU-LLVKDONJSA-N 1 0 343.225 2.015 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262021505 296027896 /nfs/dbraw/zinc/02/78/96/296027896.db2.gz XPCHGROZIATPKU-BXKDBHETSA-N 1 0 347.824 2.139 20 5 EEBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416331346 239188133 /nfs/dbraw/zinc/18/81/33/239188133.db2.gz BIMJKMVSKVDMFS-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422752382 240208766 /nfs/dbraw/zinc/20/87/66/240208766.db2.gz DYRCHVVVMLGTAF-FOSCPWQOSA-N 1 0 326.356 2.156 20 5 EEBDRO C[C@@H]1C[NH2+]CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422763220 240213442 /nfs/dbraw/zinc/21/34/42/240213442.db2.gz UENFMQKKYAULPV-SECBINFHSA-N 1 0 329.809 2.161 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193972346 240384870 /nfs/dbraw/zinc/38/48/70/240384870.db2.gz CTBBVDYXDBHQAR-UHFFFAOYSA-N 1 0 341.433 2.136 20 5 EEBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223109 240407618 /nfs/dbraw/zinc/40/76/18/240407618.db2.gz DVTPLBUKLBAVKA-GUYCJALGSA-N 1 0 347.415 2.353 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000423448955 240490879 /nfs/dbraw/zinc/49/08/79/240490879.db2.gz QYMMIMPGCISBBI-CQSZACIVSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000427962998 241504298 /nfs/dbraw/zinc/50/42/98/241504298.db2.gz HFLPUBGVYOYTGW-XJKCOSOUSA-N 1 0 335.404 2.453 20 5 EEBDRO COc1ncccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542060 242287671 /nfs/dbraw/zinc/28/76/71/242287671.db2.gz NWMPROWZSIYKLN-UONOGXRCSA-N 1 0 331.376 2.468 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)o2)c1 ZINC000447971294 242346564 /nfs/dbraw/zinc/34/65/64/242346564.db2.gz JYVKWGZPOBPOKJ-RDJZCZTQSA-N 1 0 332.356 2.484 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)o1 ZINC000447978973 242348352 /nfs/dbraw/zinc/34/83/52/242348352.db2.gz SGAKAVPRUBBHKA-PBHICJAKSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237553321 242686560 /nfs/dbraw/zinc/68/65/60/242686560.db2.gz JEEFNIFGFNRJHD-STQMWFEESA-N 1 0 332.404 2.017 20 5 EEBDRO CCOC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246360854 243237530 /nfs/dbraw/zinc/23/75/30/243237530.db2.gz KTRSJOJTOXETPT-GDBMZVCRSA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000246798486 243318761 /nfs/dbraw/zinc/31/87/61/243318761.db2.gz BTIHRTVVLJFWCG-OCCSQVGLSA-N 1 0 335.429 2.382 20 5 EEBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456041761 244137200 /nfs/dbraw/zinc/13/72/00/244137200.db2.gz ISLRWWSLTWNZTN-UHFFFAOYSA-N 1 0 349.435 2.370 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262578416 245042367 /nfs/dbraw/zinc/04/23/67/245042367.db2.gz MMGQEUWVMCKSIN-VIFPVBQESA-N 1 0 331.294 2.343 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079623899 217244380 /nfs/dbraw/zinc/24/43/80/217244380.db2.gz ULKDWOHBFUKCFX-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO CC[N@H+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491594367 246079727 /nfs/dbraw/zinc/07/97/27/246079727.db2.gz PKCKXGXCODMMTK-UHFFFAOYSA-N 1 0 348.325 2.380 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264156889 246120948 /nfs/dbraw/zinc/12/09/48/246120948.db2.gz XJJHFDLZTRTQRP-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094780 246297557 /nfs/dbraw/zinc/29/75/57/246297557.db2.gz KROYPRVTWHEKOV-MOEXGYKKSA-N 1 0 335.429 2.162 20 5 EEBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000266355234 248262390 /nfs/dbraw/zinc/26/23/90/248262390.db2.gz JYPMWZZJGLBBMU-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000091824281 218071977 /nfs/dbraw/zinc/07/19/77/218071977.db2.gz JOWJXNMMYZYJOP-UHFFFAOYSA-N 1 0 329.360 2.209 20 5 EEBDRO CC[N@H+](CCC(=O)OC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092379921 218138463 /nfs/dbraw/zinc/13/84/63/218138463.db2.gz HODSELOQWCKEQQ-UHFFFAOYSA-N 1 0 346.387 2.380 20 5 EEBDRO CC(C)(C)OC(=O)C1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000092567465 218150788 /nfs/dbraw/zinc/15/07/88/218150788.db2.gz YOQXVUVCUUGUPF-UHFFFAOYSA-N 1 0 338.408 2.281 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017365 218186065 /nfs/dbraw/zinc/18/60/65/218186065.db2.gz ABLFFFRBXDIFPH-QGZVFWFLSA-N 1 0 333.432 2.447 20 5 EEBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380960 220316036 /nfs/dbraw/zinc/31/60/36/220316036.db2.gz RMPFMWVJEAZMEB-BLLLJJGKSA-N 1 0 332.404 2.492 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000352798398 285189555 /nfs/dbraw/zinc/18/95/55/285189555.db2.gz QHYAEAJFAVUTGA-UHFFFAOYSA-N 1 0 348.428 2.417 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000154030360 224192418 /nfs/dbraw/zinc/19/24/18/224192418.db2.gz DVWOQLURVASEFY-AWEZNQCLSA-N 1 0 339.823 2.402 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267996441 256103255 /nfs/dbraw/zinc/10/32/55/256103255.db2.gz RHHRXKDSGPVWFB-CQSZACIVSA-N 1 0 349.387 2.428 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000270474924 256139145 /nfs/dbraw/zinc/13/91/45/256139145.db2.gz MLMOXJWESQPERB-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000270751966 256167789 /nfs/dbraw/zinc/16/77/89/256167789.db2.gz CKFKMYZIDFYDRV-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO COC1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273400762 256293521 /nfs/dbraw/zinc/29/35/21/256293521.db2.gz WIJUOEGEANJKJC-SLTAFYQDSA-N 1 0 338.404 2.224 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273485404 256300965 /nfs/dbraw/zinc/30/09/65/256300965.db2.gz RHTYZAJCPAJNML-LBPRGKRZSA-N 1 0 342.371 2.212 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000275962297 256391315 /nfs/dbraw/zinc/39/13/15/256391315.db2.gz KPXDAQMIJLYDJN-UHFFFAOYSA-N 1 0 344.371 2.063 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000275991045 256393232 /nfs/dbraw/zinc/39/32/32/256393232.db2.gz JRUWRSRXYMFAML-UHFFFAOYSA-N 1 0 345.403 2.394 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000274162217 256359293 /nfs/dbraw/zinc/35/92/93/256359293.db2.gz GQJJVROSHRJCKP-SCLBCKFNSA-N 1 0 344.415 2.382 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1C ZINC000320643986 291994607 /nfs/dbraw/zinc/99/46/07/291994607.db2.gz IDSMOQXWUKFOQO-LLVKDONJSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1ccc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000080963433 292201704 /nfs/dbraw/zinc/20/17/04/292201704.db2.gz LKBDWMVGZKDNKM-UHFFFAOYSA-N 1 0 345.355 2.380 20 5 EEBDRO Nc1cc(N)[nH+]c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000089634870 292209662 /nfs/dbraw/zinc/20/96/62/292209662.db2.gz PXFKEAGAHPCTAE-UHFFFAOYSA-N 1 0 344.356 2.497 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000254994865 160397127 /nfs/dbraw/zinc/39/71/27/160397127.db2.gz WXZILQUABQACSB-ALCCZGGFSA-N 1 0 344.459 2.321 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286271851 160482658 /nfs/dbraw/zinc/48/26/58/160482658.db2.gz BIZGEHPXPKBISR-HHDFAXHISA-N 1 0 345.399 2.279 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073786850 159056944 /nfs/dbraw/zinc/05/69/44/159056944.db2.gz GYJUNHZWCUFZEH-HNNXBMFYSA-N 1 0 334.420 2.468 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081335292 159150282 /nfs/dbraw/zinc/15/02/82/159150282.db2.gz AIXPNGYTUWRZCZ-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081569736 159154993 /nfs/dbraw/zinc/15/49/93/159154993.db2.gz GBQZESLWZYDEST-HNNXBMFYSA-N 1 0 348.447 2.221 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000090661686 159198836 /nfs/dbraw/zinc/19/88/36/159198836.db2.gz YTTPSDWOSVQAGC-CYBMUJFWSA-N 1 0 338.404 2.433 20 5 EEBDRO CCCC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236706493 160218820 /nfs/dbraw/zinc/21/88/20/160218820.db2.gz UWVZNBZDSIBLRD-MRXNPFEDSA-N 1 0 335.404 2.482 20 5 EEBDRO CC[C@@H]1C[C@@]1([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387434 160640112 /nfs/dbraw/zinc/64/01/12/160640112.db2.gz GAUNSEZOWQTWFB-JLSDUUJJSA-N 1 0 344.415 2.376 20 5 EEBDRO O=C1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1 ZINC000344253337 161211532 /nfs/dbraw/zinc/21/15/32/161211532.db2.gz BLAOCVMTYBVBQH-LLVKDONJSA-N 1 0 332.385 2.087 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344353914 161219349 /nfs/dbraw/zinc/21/93/49/161219349.db2.gz DSGDDIVUPYDZFO-SJORKVTESA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000344406811 161224329 /nfs/dbraw/zinc/22/43/29/161224329.db2.gz JBIFXAUPVCPIKM-AWEZNQCLSA-N 1 0 347.415 2.273 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000344820915 161248434 /nfs/dbraw/zinc/24/84/34/161248434.db2.gz DJPZUHBIKULEMV-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO Cc1nnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000353565309 162611594 /nfs/dbraw/zinc/61/15/94/162611594.db2.gz BELHRBFPAXFWLH-NEPJUHHUSA-N 1 0 336.421 2.267 20 5 EEBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000361769336 164499277 /nfs/dbraw/zinc/49/92/77/164499277.db2.gz TXOWSLCCZQONBH-DZGCQCFKSA-N 1 0 349.387 2.440 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000368667333 166102289 /nfs/dbraw/zinc/10/22/89/166102289.db2.gz RAAIJSULBAYOAW-KRWDZBQOSA-N 1 0 338.404 2.452 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000370045991 166383378 /nfs/dbraw/zinc/38/33/78/166383378.db2.gz PAYRBMSHMKLJHS-OAHLLOKOSA-N 1 0 343.431 2.425 20 5 EEBDRO CN1CCC2(CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000373174387 166839809 /nfs/dbraw/zinc/83/98/09/166839809.db2.gz VNHCYWQPSGECEI-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000374104640 167018873 /nfs/dbraw/zinc/01/88/73/167018873.db2.gz FMYIGMHWNXSKSL-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404092 167035874 /nfs/dbraw/zinc/03/58/74/167035874.db2.gz VZSBFRHVOGKGMX-KBPBESRZSA-N 1 0 336.388 2.341 20 5 EEBDRO Cc1cc(OCC(=O)NCc2cnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000375381045 167122187 /nfs/dbraw/zinc/12/21/87/167122187.db2.gz RLSLSSMXQNZPNN-UHFFFAOYSA-N 1 0 344.371 2.131 20 5 EEBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190042179 268581534 /nfs/dbraw/zinc/58/15/34/268581534.db2.gz LOBURDYXSBWMEO-ZIAGYGMSSA-N 1 0 325.434 2.410 20 5 EEBDRO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272768727 269018337 /nfs/dbraw/zinc/01/83/37/269018337.db2.gz PTOALRWLVCZAIC-ZDUSSCGKSA-N 1 0 332.404 2.087 20 5 EEBDRO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000272784294 269020847 /nfs/dbraw/zinc/02/08/47/269020847.db2.gz FLZGIFJZQLOYJK-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000277879371 269194394 /nfs/dbraw/zinc/19/43/94/269194394.db2.gz DREJQMOTFWPPJD-UHFFFAOYSA-N 1 0 331.376 2.237 20 5 EEBDRO O=c1c([N+](=O)[O-])cccn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278624604 269236870 /nfs/dbraw/zinc/23/68/70/269236870.db2.gz STJVLZNHABRCRO-MRXNPFEDSA-N 1 0 343.383 2.048 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279852406 269311091 /nfs/dbraw/zinc/31/10/91/269311091.db2.gz BCRZUMPREGRGGM-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399141 274024805 /nfs/dbraw/zinc/02/48/05/274024805.db2.gz RUSZIYXXHMLUDG-GOEBONIOSA-N 1 0 335.404 2.377 20 5 EEBDRO CC1(C)CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275383258 274243392 /nfs/dbraw/zinc/24/33/92/274243392.db2.gz BLPTVZYFEDANRP-ZDUSSCGKSA-N 1 0 341.795 2.280 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000178691407 274759798 /nfs/dbraw/zinc/75/97/98/274759798.db2.gz YWXYDCOOOCHPQC-NWDGAFQWSA-N 1 0 329.360 2.371 20 5 EEBDRO COCC[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288311731 275045018 /nfs/dbraw/zinc/04/50/18/275045018.db2.gz HPDHSEYUBZIETC-UHFFFAOYSA-N 1 0 337.405 2.122 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288800604 275086066 /nfs/dbraw/zinc/08/60/66/275086066.db2.gz KQOCKHAEDZROOT-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)c2ccncc21 ZINC000289146863 275101237 /nfs/dbraw/zinc/10/12/37/275101237.db2.gz OTBWFSAEIRYWSJ-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO CC(C)[C@@](C)([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000289303946 275108515 /nfs/dbraw/zinc/10/85/15/275108515.db2.gz IOMYLBMURLVMIN-CYBMUJFWSA-N 1 0 344.209 2.347 20 5 EEBDRO Cc1nn(C)c2ncc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc12 ZINC000289652517 275135996 /nfs/dbraw/zinc/13/59/96/275135996.db2.gz CHRSRINGQLKENW-UHFFFAOYSA-N 1 0 340.387 2.150 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290574053 275219377 /nfs/dbraw/zinc/21/93/77/275219377.db2.gz UPKLKKSKGKCDRK-STQMWFEESA-N 1 0 349.435 2.259 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173171 277069257 /nfs/dbraw/zinc/06/92/57/277069257.db2.gz VDSIWVPGORJGLG-CXAGYDPISA-N 1 0 347.415 2.377 20 5 EEBDRO COc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000186187535 277800016 /nfs/dbraw/zinc/80/00/16/277800016.db2.gz GILNRGFOHYMXHF-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427877659 278222281 /nfs/dbraw/zinc/22/22/81/278222281.db2.gz TZSQHUCEBPJAGJ-GXTWGEPZSA-N 1 0 343.387 2.113 20 5 EEBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423943587 281879028 /nfs/dbraw/zinc/87/90/28/281879028.db2.gz CWPYQBNHRCUTQV-MRXNPFEDSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000457357246 289039582 /nfs/dbraw/zinc/03/95/82/289039582.db2.gz JDLFHXJYAUSOIV-LDYMZIIASA-N 1 0 342.193 2.309 20 5 EEBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000282691735 292853829 /nfs/dbraw/zinc/85/38/29/292853829.db2.gz FCLYXSAQJXVWHZ-UHFFFAOYSA-N 1 0 344.419 2.404 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293706976 293275668 /nfs/dbraw/zinc/27/56/68/293275668.db2.gz SBSHMYLDJATDCG-GIZXNFQBSA-N 1 0 343.387 2.029 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000293741642 293283858 /nfs/dbraw/zinc/28/38/58/293283858.db2.gz UZUHYHUDOQNDOC-GASCZTMLSA-N 1 0 346.431 2.245 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000296772861 294063664 /nfs/dbraw/zinc/06/36/64/294063664.db2.gz MUVAYTVOJJSYEH-XJKSGUPXSA-N 1 0 345.399 2.110 20 5 EEBDRO COc1ccc(OCCN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000296812140 294073999 /nfs/dbraw/zinc/07/39/99/294073999.db2.gz UYWTUSZYCLXEBM-AWEZNQCLSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299458479 294747405 /nfs/dbraw/zinc/74/74/05/294747405.db2.gz XAOJCCHNTRSUNI-ZDUSSCGKSA-N 1 0 337.424 2.113 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000127735593 297233001 /nfs/dbraw/zinc/23/30/01/297233001.db2.gz VAZMTDZSDFKSOI-UMVBOHGHSA-N 1 0 346.431 2.169 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332399483 312001288 /nfs/dbraw/zinc/00/12/88/312001288.db2.gz RRHOZWVXNXOSIL-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1cccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000332523165 312019357 /nfs/dbraw/zinc/01/93/57/312019357.db2.gz ATZYVCJMPXTYAN-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357077767 312399270 /nfs/dbraw/zinc/39/92/70/312399270.db2.gz LAZKJXMFOSHXOL-DZGCQCFKSA-N 1 0 346.431 2.243 20 5 EEBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414324618 312997313 /nfs/dbraw/zinc/99/73/13/312997313.db2.gz IZSDHQQTZSLNEX-UHFFFAOYSA-N 1 0 340.426 2.392 20 5 EEBDRO [NH3+]C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414954981 313114729 /nfs/dbraw/zinc/11/47/29/313114729.db2.gz TVLWKZIHYICGHO-UHFFFAOYSA-N 1 0 330.291 2.151 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)NCC(F)F ZINC000417335997 313488355 /nfs/dbraw/zinc/48/83/55/313488355.db2.gz UOTCPWNVEANVCZ-CYBMUJFWSA-N 1 0 327.331 2.333 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000417712539 313573608 /nfs/dbraw/zinc/57/36/08/313573608.db2.gz GBRSRFJLTSBHMS-KGLIPLIRSA-N 1 0 349.435 2.084 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000417843309 313615939 /nfs/dbraw/zinc/61/59/39/313615939.db2.gz GXZPORUURCBHPX-MWLCHTKSSA-N 1 0 330.335 2.246 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238159 313760767 /nfs/dbraw/zinc/76/07/67/313760767.db2.gz WZVJFFMYTORVMF-CYUUQNCZSA-N 1 0 332.404 2.343 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418368484 313795016 /nfs/dbraw/zinc/79/50/16/313795016.db2.gz MRHKAAWNEWBKCU-GJZGRUSLSA-N 1 0 332.404 2.236 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418622353 313862335 /nfs/dbraw/zinc/86/23/35/313862335.db2.gz NIDDOCQXHMMMHP-HNNXBMFYSA-N 1 0 334.420 2.296 20 5 EEBDRO CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000425441670 314394478 /nfs/dbraw/zinc/39/44/78/314394478.db2.gz HFUBTDBMBOZHMT-LLVKDONJSA-N 1 0 342.193 2.068 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440073479 315110773 /nfs/dbraw/zinc/11/07/73/315110773.db2.gz DXCASQYRKLIWKJ-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000443867234 315262435 /nfs/dbraw/zinc/26/24/35/315262435.db2.gz ICVKTSVMSJKOLB-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000448822584 315388376 /nfs/dbraw/zinc/38/83/76/315388376.db2.gz LEOMGMUDRHWROQ-LLVKDONJSA-N 1 0 339.367 2.204 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000452076893 315490268 /nfs/dbraw/zinc/49/02/68/315490268.db2.gz BUKWVRRNUISDJC-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000563695067 319037751 /nfs/dbraw/zinc/03/77/51/319037751.db2.gz DJXHXKGUKNEYKR-CABCVRRESA-N 1 0 346.431 2.448 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000564835703 319115854 /nfs/dbraw/zinc/11/58/54/319115854.db2.gz ULYFUGUPAWSEFZ-HNNXBMFYSA-N 1 0 335.404 2.040 20 5 EEBDRO COc1ccccc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567605365 319396340 /nfs/dbraw/zinc/39/63/40/319396340.db2.gz PVAWUBCVTHGLLT-OAHLLOKOSA-N 1 0 346.383 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H]([NH+]3CCOCC3)CC1)CCN2 ZINC000567627248 319399316 /nfs/dbraw/zinc/39/93/16/319399316.db2.gz JVYPHDGFOXEMIB-AWEZNQCLSA-N 1 0 346.431 2.254 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000567674317 319403087 /nfs/dbraw/zinc/40/30/87/319403087.db2.gz ILQSRNVABBJUDM-UPJWGTAASA-N 1 0 335.404 2.439 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000577281073 320246835 /nfs/dbraw/zinc/24/68/35/320246835.db2.gz LXYUKQMBZPVORF-ZDUSSCGKSA-N 1 0 334.420 2.055 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000578005742 320288558 /nfs/dbraw/zinc/28/85/58/320288558.db2.gz OJCCTUGDZBORAL-CYBMUJFWSA-N 1 0 331.294 2.471 20 5 EEBDRO CNc1nc(C(=O)Nc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000578296131 320305347 /nfs/dbraw/zinc/30/53/47/320305347.db2.gz SMXAHSBWQXYHMH-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444696 324065402 /nfs/dbraw/zinc/06/54/02/324065402.db2.gz QEACMPLWPLGURP-SMDDNHRTSA-N 1 0 341.433 2.048 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000583436127 324662674 /nfs/dbraw/zinc/66/26/74/324662674.db2.gz SFEWRNWOIWSBCM-OAHLLOKOSA-N 1 0 332.356 2.003 20 5 EEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000354619518 465059295 /nfs/dbraw/zinc/05/92/95/465059295.db2.gz GWPRIZSXRSDVEX-UHFFFAOYSA-N 1 0 343.449 2.334 20 5 EEBDRO Cc1c(CNC(=O)NCCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000358376327 465088046 /nfs/dbraw/zinc/08/80/46/465088046.db2.gz AIONQDVGIUUMFP-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccn2ccnc2c1 ZINC000358469885 465143253 /nfs/dbraw/zinc/14/32/53/465143253.db2.gz SBKSWXCMIODAAJ-UHFFFAOYSA-N 1 0 328.303 2.241 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)n1 ZINC000341528880 465216941 /nfs/dbraw/zinc/21/69/41/465216941.db2.gz GENYISKFJOBZSR-RYUDHWBXSA-N 1 0 336.392 2.451 20 5 EEBDRO Cn1cc(C[N@H+](C)CC2(O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355376568 465245107 /nfs/dbraw/zinc/24/51/07/465245107.db2.gz WUUBLGXMRGJABM-UHFFFAOYSA-N 1 0 330.388 2.342 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000337251406 465268096 /nfs/dbraw/zinc/26/80/96/465268096.db2.gz NQMHWMHCFDQRCQ-UHFFFAOYSA-N 1 0 342.399 2.123 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000520799071 468271535 /nfs/dbraw/zinc/27/15/35/468271535.db2.gz FBTKZRDUTIBDHB-CZUORRHYSA-N 1 0 348.330 2.197 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113301142 462588058 /nfs/dbraw/zinc/58/80/58/462588058.db2.gz OZNAUGQOJOLKLB-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000045785893 462617746 /nfs/dbraw/zinc/61/77/46/462617746.db2.gz FNZYAENXCCHDBX-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO O=C(CC[NH2+][C@H](CO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000579090835 468307506 /nfs/dbraw/zinc/30/75/06/468307506.db2.gz FLQPIPJTJJZSGY-OAHLLOKOSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000114199997 462631458 /nfs/dbraw/zinc/63/14/58/462631458.db2.gz HBTQNAMUJKMPCC-NSHDSACASA-N 1 0 340.811 2.070 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075108735 462676469 /nfs/dbraw/zinc/67/64/69/462676469.db2.gz YNLZBYAPTGSAHK-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000064337039 462697240 /nfs/dbraw/zinc/69/72/40/462697240.db2.gz CENIBMYICNZJNH-UHFFFAOYSA-N 1 0 345.403 2.397 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644495 462702384 /nfs/dbraw/zinc/70/23/84/462702384.db2.gz YVOJXAMJBZKJQQ-NVXWUHKLSA-N 1 0 342.399 2.346 20 5 EEBDRO Cc1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644992 462703537 /nfs/dbraw/zinc/70/35/37/462703537.db2.gz LXBKSPCWQHSVBW-CVEARBPZSA-N 1 0 342.399 2.346 20 5 EEBDRO CCC(=O)N[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130379123 462752979 /nfs/dbraw/zinc/75/29/79/462752979.db2.gz DGNBELNPCIDTCS-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130548320 462763476 /nfs/dbraw/zinc/76/34/76/462763476.db2.gz GSDVTDFJCWNXMX-CQSZACIVSA-N 1 0 343.387 2.371 20 5 EEBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552511 462797168 /nfs/dbraw/zinc/79/71/68/462797168.db2.gz VLGSFNYTEHRONN-GJZGRUSLSA-N 1 0 335.404 2.036 20 5 EEBDRO CC[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000065612803 462811467 /nfs/dbraw/zinc/81/14/67/462811467.db2.gz IISKJJHHWAMYTR-UHFFFAOYSA-N 1 0 330.388 2.430 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066140413 462855070 /nfs/dbraw/zinc/85/50/70/462855070.db2.gz YFVXSWWTXNJZRB-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO Cc1ncsc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066565959 462904100 /nfs/dbraw/zinc/90/41/00/462904100.db2.gz VYXKZHCPRGCZCE-CYBMUJFWSA-N 1 0 337.401 2.231 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000020543600 463029099 /nfs/dbraw/zinc/02/90/99/463029099.db2.gz WTHLVFJPFRAYFI-UHFFFAOYSA-N 1 0 336.392 2.409 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000023509339 463067408 /nfs/dbraw/zinc/06/74/08/463067408.db2.gz RDJLJQMSGZMJAG-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000025329390 463120238 /nfs/dbraw/zinc/12/02/38/463120238.db2.gz VHLUCLZSDNDZBU-OAHLLOKOSA-N 1 0 349.412 2.454 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000025942889 463145027 /nfs/dbraw/zinc/14/50/27/463145027.db2.gz SFBBJAHRXNNAJQ-CYBMUJFWSA-N 1 0 342.399 2.110 20 5 EEBDRO COC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026219665 463155793 /nfs/dbraw/zinc/15/57/93/463155793.db2.gz LZXYJQFJUMSNAY-UHFFFAOYSA-N 1 0 349.387 2.117 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000027582280 463196547 /nfs/dbraw/zinc/19/65/47/463196547.db2.gz WHFVSIIPDPKBKP-KRWDZBQOSA-N 1 0 327.384 2.498 20 5 EEBDRO Cn1cc(CCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000054316949 463226319 /nfs/dbraw/zinc/22/63/19/463226319.db2.gz IKGPJBDCMGRVPU-UHFFFAOYSA-N 1 0 329.404 2.083 20 5 EEBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000140550522 463343777 /nfs/dbraw/zinc/34/37/77/463343777.db2.gz NSCFXSLHTFWZSI-UHFFFAOYSA-N 1 0 343.449 2.385 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081363202 463425585 /nfs/dbraw/zinc/42/55/85/463425585.db2.gz IYIDPXFQDZDGCD-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104856986 463426491 /nfs/dbraw/zinc/42/64/91/463426491.db2.gz MIDQSOWAEMPDTL-UHFFFAOYSA-N 1 0 334.420 2.478 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000057167709 463460296 /nfs/dbraw/zinc/46/02/96/463460296.db2.gz WGZKKAASXAADKM-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1c(Br)c(N2CCC[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165813623 463647593 /nfs/dbraw/zinc/64/75/93/463647593.db2.gz HKHPCEUJZJMPMV-SECBINFHSA-N 1 0 329.198 2.236 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165811260 463648313 /nfs/dbraw/zinc/64/83/13/463648313.db2.gz ABBOUPUHRXCODI-SNVBAGLBSA-N 1 0 343.225 2.497 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000170774776 463704163 /nfs/dbraw/zinc/70/41/63/463704163.db2.gz IHBQSNVGNYCSKW-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286827252 463718255 /nfs/dbraw/zinc/71/82/55/463718255.db2.gz LALPVWRLTMMASJ-RHSMWYFYSA-N 1 0 346.431 2.400 20 5 EEBDRO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000276766203 463749288 /nfs/dbraw/zinc/74/92/88/463749288.db2.gz VGGPELAOZXICJC-UHFFFAOYSA-N 1 0 337.379 2.486 20 5 EEBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414398 463858880 /nfs/dbraw/zinc/85/88/80/463858880.db2.gz PAEGFSAQKTZRRW-GHMZBOCLSA-N 1 0 335.360 2.430 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261867486 463882689 /nfs/dbraw/zinc/88/26/89/463882689.db2.gz XNXSJAOEBWPOPX-SUMWQHHRSA-N 1 0 347.415 2.482 20 5 EEBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000261928338 463902902 /nfs/dbraw/zinc/90/29/02/463902902.db2.gz JHAWTPUJBZISPP-MRXNPFEDSA-N 1 0 342.399 2.282 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000194774182 463926420 /nfs/dbraw/zinc/92/64/20/463926420.db2.gz SRAYDSIURCEVFS-UHFFFAOYSA-N 1 0 338.383 2.309 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269457942 463991490 /nfs/dbraw/zinc/99/14/90/463991490.db2.gz HFZYQRMXJKQTQB-LBPRGKRZSA-N 1 0 337.424 2.245 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000283932164 464046765 /nfs/dbraw/zinc/04/67/65/464046765.db2.gz JPRREEWMKIUCTP-QMMMGPOBSA-N 1 0 344.209 2.346 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262820406 464047733 /nfs/dbraw/zinc/04/77/33/464047733.db2.gz GTLNBWQJPCXBOQ-TZMCWYRMSA-N 1 0 332.404 2.065 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186715526 464056622 /nfs/dbraw/zinc/05/66/22/464056622.db2.gz SSEPJAMPDWKAJN-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179148893 464068797 /nfs/dbraw/zinc/06/87/97/464068797.db2.gz JPZLIIJJCAPJQG-CYBMUJFWSA-N 1 0 349.387 2.259 20 5 EEBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000279692415 464128069 /nfs/dbraw/zinc/12/80/69/464128069.db2.gz GEUZFPIZYTXDSR-OAHLLOKOSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@@]1(O)CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000279974059 464176492 /nfs/dbraw/zinc/17/64/92/464176492.db2.gz HTILFBRAWKJLFN-OAHLLOKOSA-N 1 0 341.795 2.424 20 5 EEBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263768473 464183307 /nfs/dbraw/zinc/18/33/07/464183307.db2.gz RXNRJJYXUUHNMT-OKILXGFUSA-N 1 0 334.420 2.315 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263856328 464217625 /nfs/dbraw/zinc/21/76/25/464217625.db2.gz WJHTXOQJAGIKCI-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236670811 464218235 /nfs/dbraw/zinc/21/82/35/464218235.db2.gz PJOXEYGFOPOWJH-HNNXBMFYSA-N 1 0 346.431 2.298 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280885585 464264805 /nfs/dbraw/zinc/26/48/05/464264805.db2.gz UOYZZHOYUOUMRT-AWEZNQCLSA-N 1 0 335.404 2.271 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000188411791 464273538 /nfs/dbraw/zinc/27/35/38/464273538.db2.gz XGJBJODMJILJEW-UHFFFAOYSA-N 1 0 336.392 2.055 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237185403 464280498 /nfs/dbraw/zinc/28/04/98/464280498.db2.gz IEGAKBPAVQUQPB-RYUDHWBXSA-N 1 0 349.387 2.346 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C[NH2+]1 ZINC000237482923 464327770 /nfs/dbraw/zinc/32/77/70/464327770.db2.gz UJHOGZVNTGVJJD-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000173937490 464334631 /nfs/dbraw/zinc/33/46/31/464334631.db2.gz SXEALDTVQONPRF-GFCCVEGCSA-N 1 0 346.391 2.236 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237667607 464360882 /nfs/dbraw/zinc/36/08/82/464360882.db2.gz JIZJLZDRRBBYMV-ZIAGYGMSSA-N 1 0 334.420 2.339 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000281201462 464368747 /nfs/dbraw/zinc/36/87/47/464368747.db2.gz PJEZGPNMMSJWLK-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+](C)C ZINC000271769938 464377893 /nfs/dbraw/zinc/37/78/93/464377893.db2.gz IKJGLMAFBCAMPX-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298680561 465470103 /nfs/dbraw/zinc/47/01/03/465470103.db2.gz JSHBYOCJCJZNQZ-UHFFFAOYSA-N 1 0 331.376 2.077 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000343054819 465473083 /nfs/dbraw/zinc/47/30/83/465473083.db2.gz PYTPODLEHUZWPM-AWEZNQCLSA-N 1 0 345.403 2.776 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186502 464452432 /nfs/dbraw/zinc/45/24/32/464452432.db2.gz PUPHCVRGPZMTID-MFKMUULPSA-N 1 0 333.388 2.267 20 5 EEBDRO Cc1cc(OCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000281453521 464460292 /nfs/dbraw/zinc/46/02/92/464460292.db2.gz REGATBKFMNRBJM-AWEZNQCLSA-N 1 0 335.404 2.082 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281738170 464565914 /nfs/dbraw/zinc/56/59/14/464565914.db2.gz WURYKMYVHVIHTI-UHFFFAOYSA-N 1 0 336.436 2.179 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000294892152 464638750 /nfs/dbraw/zinc/63/87/50/464638750.db2.gz QYNDRJLXAACEBA-CQSZACIVSA-N 1 0 346.431 2.457 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000265806731 464693188 /nfs/dbraw/zinc/69/31/88/464693188.db2.gz SAAUZNRCWNWBKA-HOTGVXAUSA-N 1 0 342.399 2.285 20 5 EEBDRO COC[C@]1(C(=O)OC)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295142949 464721434 /nfs/dbraw/zinc/72/14/34/464721434.db2.gz ZWEKZXMIWDTQKT-UABRLCRWSA-N 1 0 334.372 2.120 20 5 EEBDRO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182917298 464757578 /nfs/dbraw/zinc/75/75/78/464757578.db2.gz PJQYBKCNAIVPHK-BLLLJJGKSA-N 1 0 336.388 2.210 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285977072 464762660 /nfs/dbraw/zinc/76/26/60/464762660.db2.gz WXFWFVHZAKFOEH-HUUCEWRRSA-N 1 0 347.415 2.367 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276294 464772071 /nfs/dbraw/zinc/77/20/71/464772071.db2.gz AZKPXSRDRNLLBU-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000248842192 464808493 /nfs/dbraw/zinc/80/84/93/464808493.db2.gz GIEWZFCDTRYDME-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000276230623 464856059 /nfs/dbraw/zinc/85/60/59/464856059.db2.gz KKULNUJODCQWOQ-NSHDSACASA-N 1 0 333.310 2.419 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295538793 464874452 /nfs/dbraw/zinc/87/44/52/464874452.db2.gz KJQBQHFNJPNVLI-AWEZNQCLSA-N 1 0 347.415 2.306 20 5 EEBDRO COC(=O)Cc1ccc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000295587490 464892566 /nfs/dbraw/zinc/89/25/66/464892566.db2.gz SMWSNLNXSBGXIK-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000267353244 464927362 /nfs/dbraw/zinc/92/73/62/464927362.db2.gz GSDWGRPVVZBYFK-LBPRGKRZSA-N 1 0 325.796 2.407 20 5 EEBDRO COC(=O)Cc1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000295727786 464943821 /nfs/dbraw/zinc/94/38/21/464943821.db2.gz VNIYCRZZYWRMJF-DZGCQCFKSA-N 1 0 347.415 2.373 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177178106 464950329 /nfs/dbraw/zinc/95/03/29/464950329.db2.gz GGUUFIAQVLUBEQ-RYUDHWBXSA-N 1 0 335.429 2.428 20 5 EEBDRO CC[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282855424 464975251 /nfs/dbraw/zinc/97/52/51/464975251.db2.gz UWUUKUATMHIFBT-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC[C@H]2CCCO2)n1 ZINC000252584770 464983739 /nfs/dbraw/zinc/98/37/39/464983739.db2.gz CUAKFGDWCSYLFO-QLFBSQMISA-N 1 0 338.408 2.060 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286649645 464990773 /nfs/dbraw/zinc/99/07/73/464990773.db2.gz WUSHDZQVEMJXTJ-DZGCQCFKSA-N 1 0 332.404 2.363 20 5 EEBDRO CCOc1cc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)ccc1[N+](=O)[O-] ZINC000282910839 464998368 /nfs/dbraw/zinc/99/83/68/464998368.db2.gz XSBYFPNPUYQACY-OAHLLOKOSA-N 1 0 333.388 2.284 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286678168 465001972 /nfs/dbraw/zinc/00/19/72/465001972.db2.gz VJLQVAOUOHUKHZ-DGCLKSJQSA-N 1 0 327.768 2.032 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c([N+](=O)[O-])c1 ZINC000593910041 468429383 /nfs/dbraw/zinc/42/93/83/468429383.db2.gz QDCVTTPTYWXEST-ZBFHGGJFSA-N 1 0 346.431 2.352 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000359816068 465492714 /nfs/dbraw/zinc/49/27/14/465492714.db2.gz VWFBFEGHGKKTPX-UKRRQHHQSA-N 1 0 342.399 2.326 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352358186 465519527 /nfs/dbraw/zinc/51/95/27/465519527.db2.gz WFQDLDJFNUAFKM-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cc2ccccc2)n1 ZINC000348277100 465527106 /nfs/dbraw/zinc/52/71/06/465527106.db2.gz FYNCAMNWBWZVPQ-YESZJQIVSA-N 1 0 344.415 2.468 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279370 468437425 /nfs/dbraw/zinc/43/74/25/468437425.db2.gz SEOUKQWENQKHFY-UHFFFAOYSA-N 1 0 330.291 2.070 20 5 EEBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000299190923 465643832 /nfs/dbraw/zinc/64/38/32/465643832.db2.gz HDNBFYIDXUUPBJ-JKIFEVAISA-N 1 0 347.415 2.309 20 5 EEBDRO Cc1cccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000348583709 465701324 /nfs/dbraw/zinc/70/13/24/465701324.db2.gz YXRPKSZLVJPYQT-INIZCTEOSA-N 1 0 331.372 2.170 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340141032 465805979 /nfs/dbraw/zinc/80/59/79/465805979.db2.gz HPFOXQDOSOUBOA-HUUCEWRRSA-N 1 0 332.404 2.063 20 5 EEBDRO CNc1c(C(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000361181191 465819029 /nfs/dbraw/zinc/81/90/29/465819029.db2.gz YEACWPXCHSSWIF-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000348929481 465878382 /nfs/dbraw/zinc/87/83/82/465878382.db2.gz UXTXVGKTEOJVJK-OAHLLOKOSA-N 1 0 333.388 2.424 20 5 EEBDRO COc1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033724 465930419 /nfs/dbraw/zinc/93/04/19/465930419.db2.gz AQKWQYLUFJPBTF-OAHLLOKOSA-N 1 0 337.420 2.146 20 5 EEBDRO CC[C@H]1CN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000362676583 465931301 /nfs/dbraw/zinc/93/13/01/465931301.db2.gz VMPLNAORTGXGFG-AWEZNQCLSA-N 1 0 330.388 2.666 20 5 EEBDRO CC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](CC)CC ZINC000346232133 466012877 /nfs/dbraw/zinc/01/28/77/466012877.db2.gz YSMQITLPOUGBDY-DZGCQCFKSA-N 1 0 349.435 2.123 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@H]21 ZINC000301902479 466057802 /nfs/dbraw/zinc/05/78/02/466057802.db2.gz ODILAEYPWBLVJR-GDBMZVCRSA-N 1 0 335.404 2.291 20 5 EEBDRO COC[C@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000372087735 466153779 /nfs/dbraw/zinc/15/37/79/466153779.db2.gz GDJQJUHEGHIFBJ-AWEZNQCLSA-N 1 0 347.415 2.232 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202877 466188116 /nfs/dbraw/zinc/18/81/16/466188116.db2.gz ZUJDZHIMZGATPR-DOTOQJQBSA-N 1 0 332.448 2.365 20 5 EEBDRO C[NH+]1CCC(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000302829301 466192253 /nfs/dbraw/zinc/19/22/53/466192253.db2.gz PCFYZMPROCVMFA-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000331774291 466240237 /nfs/dbraw/zinc/24/02/37/466240237.db2.gz GGXGEYTZYWETBJ-LBPRGKRZSA-N 1 0 335.408 2.142 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000353959584 466282478 /nfs/dbraw/zinc/28/24/78/466282478.db2.gz KNIWLOBYSHEZFC-WDEREUQCSA-N 1 0 343.811 2.472 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000332034870 466356003 /nfs/dbraw/zinc/35/60/03/466356003.db2.gz UIESXIVQTZHIKF-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000361887584 466380173 /nfs/dbraw/zinc/38/01/73/466380173.db2.gz FQKVPRIAPITZAK-CABCVRRESA-N 1 0 348.447 2.362 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000341024643 466523244 /nfs/dbraw/zinc/52/32/44/466523244.db2.gz BVAFCMUYQLKKNO-UHFFFAOYSA-N 1 0 335.452 2.152 20 5 EEBDRO CC(C)OC(=O)[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569476588 468497340 /nfs/dbraw/zinc/49/73/40/468497340.db2.gz ZCRQGOKTQCWZGB-GFCCVEGCSA-N 1 0 337.376 2.101 20 5 EEBDRO Cc1ccnc(NCc2ccncc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000341045264 466538054 /nfs/dbraw/zinc/53/80/54/466538054.db2.gz QQURFUYZYGAODU-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000555878972 468499890 /nfs/dbraw/zinc/49/98/90/468499890.db2.gz SMDQAJZNNHTSAY-CYBMUJFWSA-N 1 0 331.376 2.171 20 5 EEBDRO COC(=O)[C@H](O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368487 466594385 /nfs/dbraw/zinc/59/43/85/466594385.db2.gz YHKUJRQKVJTBMC-OJNOIJSXSA-N 1 0 348.399 2.244 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000320782315 466613989 /nfs/dbraw/zinc/61/39/89/466613989.db2.gz JIPGUDNMAWJGMY-OAHLLOKOSA-N 1 0 332.381 2.256 20 5 EEBDRO O=C([C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000347447317 466636291 /nfs/dbraw/zinc/63/62/91/466636291.db2.gz IJPCDPUZZUWWEM-LLVKDONJSA-N 1 0 339.342 2.317 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415433567 466677735 /nfs/dbraw/zinc/67/77/35/466677735.db2.gz GTLPWPRURANCTD-QMMMGPOBSA-N 1 0 332.282 2.439 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591678372 468501575 /nfs/dbraw/zinc/50/15/75/468501575.db2.gz RKOUVJPQQWOBSE-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452596 466683304 /nfs/dbraw/zinc/68/33/04/466683304.db2.gz YPFQZVVDBRDMAY-VIFPVBQESA-N 1 0 332.282 2.487 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000410636728 466720423 /nfs/dbraw/zinc/72/04/23/466720423.db2.gz NGATVSHBOLVQEB-GHMZBOCLSA-N 1 0 339.367 2.297 20 5 EEBDRO CC(=O)c1ccc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267210 466723241 /nfs/dbraw/zinc/72/32/41/466723241.db2.gz OJDSTUOHXILVDO-OAHLLOKOSA-N 1 0 346.431 2.378 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367525 466730443 /nfs/dbraw/zinc/73/04/43/466730443.db2.gz MQTYVIIRJAGIQK-SQWLQELKSA-N 1 0 329.404 2.277 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000423495783 466758343 /nfs/dbraw/zinc/75/83/43/466758343.db2.gz VLZVEGHVFOOYFX-KBPBESRZSA-N 1 0 339.461 2.434 20 5 EEBDRO CO[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000423523907 466765489 /nfs/dbraw/zinc/76/54/89/466765489.db2.gz WJMNXCZBBHOKHC-KGLIPLIRSA-N 1 0 335.404 2.297 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423598125 466780557 /nfs/dbraw/zinc/78/05/57/466780557.db2.gz VTJBSVONSVEDJR-ONGXEEELSA-N 1 0 343.836 2.455 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000370651378 466954225 /nfs/dbraw/zinc/95/42/25/466954225.db2.gz PYXOALKYJCDBDJ-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(Cc3ccccc3F)CC2)n1 ZINC000365855113 466964979 /nfs/dbraw/zinc/96/49/79/466964979.db2.gz GSGQNJXKWKGQLC-UHFFFAOYSA-N 1 0 348.378 2.000 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412063471 466990149 /nfs/dbraw/zinc/99/01/49/466990149.db2.gz BCLCUMJFZJZLDK-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000424204767 467003140 /nfs/dbraw/zinc/00/31/40/467003140.db2.gz LYNYWNRPHMMQCU-ZDUSSCGKSA-N 1 0 343.339 2.092 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424318567 467029014 /nfs/dbraw/zinc/02/90/14/467029014.db2.gz PSFTWNIGOKUXLT-MJEQTWJJSA-N 1 0 330.388 2.379 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418538881 467125822 /nfs/dbraw/zinc/12/58/22/467125822.db2.gz LXBZSXIPOJLZRV-UHFFFAOYSA-N 1 0 330.388 2.189 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1C ZINC000413124912 467174342 /nfs/dbraw/zinc/17/43/42/467174342.db2.gz DTRPMUFVYKJCBR-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429130750 467304042 /nfs/dbraw/zinc/30/40/42/467304042.db2.gz AQXRWAXRPOTKOM-ONGXEEELSA-N 1 0 329.784 2.115 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000452082472 467315413 /nfs/dbraw/zinc/31/54/13/467315413.db2.gz FVGKAFZIGYLYKY-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420287719 467339008 /nfs/dbraw/zinc/33/90/08/467339008.db2.gz RLMQNJIFYIKGOB-AAEUAGOBSA-N 1 0 332.404 2.416 20 5 EEBDRO Cc1c(Br)c(NC[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420290533 467339671 /nfs/dbraw/zinc/33/96/71/467339671.db2.gz UQFAREZWNHMCDA-NXEZZACHSA-N 1 0 343.225 2.990 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000434029636 467372629 /nfs/dbraw/zinc/37/26/29/467372629.db2.gz DCNSGMSTTRGKDT-CYBMUJFWSA-N 1 0 349.435 2.245 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000420468529 467418074 /nfs/dbraw/zinc/41/80/74/467418074.db2.gz OFGNBCMOJNFCQX-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405351803 467480992 /nfs/dbraw/zinc/48/09/92/467480992.db2.gz OPTUBURCHNYOQF-SMDDNHRTSA-N 1 0 341.433 2.041 20 5 EEBDRO CC/C=C\CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971421 467523147 /nfs/dbraw/zinc/52/31/47/467523147.db2.gz ICGADPVZTJJCQX-PLNGDYQASA-N 1 0 341.433 2.161 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000449722108 467699618 /nfs/dbraw/zinc/69/96/18/467699618.db2.gz PFOSGDZOEBSUFD-LBPRGKRZSA-N 1 0 346.309 2.179 20 5 EEBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+](C2CC2)C1 ZINC000450547245 467867556 /nfs/dbraw/zinc/86/75/56/467867556.db2.gz MTAWUZLMCLIARX-LBPRGKRZSA-N 1 0 327.388 2.459 20 5 EEBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450793826 467908861 /nfs/dbraw/zinc/90/88/61/467908861.db2.gz MJYZDCHXADNWPS-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO COc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)cc1[N+](=O)[O-] ZINC000450792478 467909058 /nfs/dbraw/zinc/90/90/58/467909058.db2.gz NRRKPVFCOGXEAL-PHIMTYICSA-N 1 0 325.340 2.018 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC[NH+](C4CCC4)CC3)n2)cc1 ZINC000450884028 467925805 /nfs/dbraw/zinc/92/58/05/467925805.db2.gz YVEWOGPYJLVNLC-UHFFFAOYSA-N 1 0 343.387 3.074 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493953723 468009429 /nfs/dbraw/zinc/00/94/29/468009429.db2.gz WJZIVHQDXVSXTK-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO COc1cc(C)nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488719875 468098887 /nfs/dbraw/zinc/09/88/87/468098887.db2.gz JIXMWZCNLXYXRE-UHFFFAOYSA-N 1 0 331.376 2.340 20 5 EEBDRO C[NH+](C)C[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000567114844 468165147 /nfs/dbraw/zinc/16/51/47/468165147.db2.gz ADFYALRIGXBEAQ-GFCCVEGCSA-N 1 0 335.795 2.796 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000490736200 468243929 /nfs/dbraw/zinc/24/39/29/468243929.db2.gz VBYMEJJJKWASBA-SFRZCGLPSA-N 1 0 347.415 2.224 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000591729066 468511685 /nfs/dbraw/zinc/51/16/85/468511685.db2.gz FZHDSNPAJCYREK-HOCLYGCPSA-N 1 0 328.368 2.264 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000591729125 468512222 /nfs/dbraw/zinc/51/22/22/468512222.db2.gz ZFNIKNOCIIQYRS-GOSISDBHSA-N 1 0 329.400 2.177 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597440396 468556452 /nfs/dbraw/zinc/55/64/52/468556452.db2.gz MMERJLBCBAPWHI-MRXNPFEDSA-N 1 0 344.415 2.411 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735201 468587732 /nfs/dbraw/zinc/58/77/32/468587732.db2.gz DMXYJKJWTCVFNF-PBHICJAKSA-N 1 0 333.432 2.265 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597588444 468609497 /nfs/dbraw/zinc/60/94/97/468609497.db2.gz KXCWKJQPOMMGFE-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594520666 468614851 /nfs/dbraw/zinc/61/48/51/468614851.db2.gz KHPJJHCDMCEUHC-SWLSCSKDSA-N 1 0 327.388 2.248 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597710389 468646857 /nfs/dbraw/zinc/64/68/57/468646857.db2.gz LRSFRINOEGKTHX-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1cc(N[C@@H]2CC[NH2+]C23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600950396 468694566 /nfs/dbraw/zinc/69/45/66/468694566.db2.gz GPPPFPMZVSGSQM-OAHLLOKOSA-N 1 0 339.399 2.479 20 5 EEBDRO Cn1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592432451 468696355 /nfs/dbraw/zinc/69/63/55/468696355.db2.gz JWWLFVCJWIGJTP-SUMWQHHRSA-N 1 0 341.415 2.179 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000592477473 468706452 /nfs/dbraw/zinc/70/64/52/468706452.db2.gz XQXPLUUTUQFRJM-ABAIWWIYSA-N 1 0 335.404 2.081 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592543529 468727510 /nfs/dbraw/zinc/72/75/10/468727510.db2.gz FRJRTFWVEUUXHR-JQWIXIFHSA-N 1 0 341.795 2.274 20 5 EEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000597992446 468733443 /nfs/dbraw/zinc/73/34/43/468733443.db2.gz LJQBWWOOZULEAD-SECBINFHSA-N 1 0 331.319 2.266 20 5 EEBDRO C[C@H](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597993669 468734162 /nfs/dbraw/zinc/73/41/62/468734162.db2.gz VEXHFYIBSQZITC-GFCCVEGCSA-N 1 0 345.403 2.065 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097584 468758290 /nfs/dbraw/zinc/75/82/90/468758290.db2.gz YALXYQOTNSFSEV-NVXWUHKLSA-N 1 0 343.431 2.492 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601144164 468758803 /nfs/dbraw/zinc/75/88/03/468758803.db2.gz PUTOGOOPEMCHAE-LBPRGKRZSA-N 1 0 345.281 2.088 20 5 EEBDRO CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592831802 468799083 /nfs/dbraw/zinc/79/90/83/468799083.db2.gz OYCLYUUWXKWAHX-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598261087 468810414 /nfs/dbraw/zinc/81/04/14/468810414.db2.gz DTCGCZZAMHHVHK-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598341899 468837095 /nfs/dbraw/zinc/83/70/95/468837095.db2.gz HWPMCEMSXQILGH-LBPRGKRZSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504193 468879844 /nfs/dbraw/zinc/87/98/44/468879844.db2.gz FYKMOGKAEUFTSQ-KBXCAEBGSA-N 1 0 346.431 2.340 20 5 EEBDRO C[NH2+]Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000593234739 468912925 /nfs/dbraw/zinc/91/29/25/468912925.db2.gz NLSOSVNAVGBSCC-UHFFFAOYSA-N 1 0 349.412 2.330 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562084 468914295 /nfs/dbraw/zinc/91/42/95/468914295.db2.gz SSHRHGVCYBDZQN-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598562114 468914415 /nfs/dbraw/zinc/91/44/15/468914415.db2.gz UGTMHHJAMNLALY-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO CC(C)C[C@@H]([NH3+])c1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000598588358 468924308 /nfs/dbraw/zinc/92/43/08/468924308.db2.gz JJGPETRATWSJNN-GFCCVEGCSA-N 1 0 348.363 2.345 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598675992 468955261 /nfs/dbraw/zinc/95/52/61/468955261.db2.gz CBIMVFPHHSHXFC-XJKSGUPXSA-N 1 0 344.415 2.446 20 5 EEBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000602638898 468982478 /nfs/dbraw/zinc/98/24/78/468982478.db2.gz HATGXZZAZDLJAV-NSHDSACASA-N 1 0 331.294 2.372 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784849 469009481 /nfs/dbraw/zinc/00/94/81/469009481.db2.gz BXXRTSBYHSTRGP-ZBFHGGJFSA-N 1 0 335.404 2.038 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(CO)CCCCC1)OCCO2 ZINC000610583463 469011968 /nfs/dbraw/zinc/01/19/68/469011968.db2.gz OVRKJLZUIHKJTN-UHFFFAOYSA-N 1 0 336.388 2.398 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718722 469020825 /nfs/dbraw/zinc/02/08/25/469020825.db2.gz UZWKWMQGBPVINF-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611091717 469158551 /nfs/dbraw/zinc/15/85/51/469158551.db2.gz BYQCWTJBTZKEJU-ZDUSSCGKSA-N 1 0 334.420 2.258 20 5 EEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000573560485 469161746 /nfs/dbraw/zinc/16/17/46/469161746.db2.gz IWTCTAGGOPCBAT-FZMZJTMJSA-N 1 0 343.387 2.831 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000611104243 469162153 /nfs/dbraw/zinc/16/21/53/469162153.db2.gz OJOYQHJOKRGJIY-HNNXBMFYSA-N 1 0 334.420 2.379 20 5 EEBDRO CC[C@]1(O)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000602983694 469206219 /nfs/dbraw/zinc/20/62/19/469206219.db2.gz QNKXSMKGSUADSV-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1sccc1[N+](=O)[O-] ZINC000611412046 469244711 /nfs/dbraw/zinc/24/47/11/469244711.db2.gz FJNKWDZMBKHSIJ-LBPRGKRZSA-N 1 0 326.422 2.011 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602431515 469313499 /nfs/dbraw/zinc/31/34/99/469313499.db2.gz NXXIYFVGXQRKIJ-SECBINFHSA-N 1 0 342.193 2.229 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCOCC1 ZINC000602503014 469341599 /nfs/dbraw/zinc/34/15/99/469341599.db2.gz JXMOYXLJBWALOI-UHFFFAOYSA-N 1 0 347.337 2.426 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000603314233 469346233 /nfs/dbraw/zinc/34/62/33/469346233.db2.gz JDTLDPAPFQRLMX-GHMZBOCLSA-N 1 0 347.824 2.009 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC000602542087 469354908 /nfs/dbraw/zinc/35/49/08/469354908.db2.gz SQCUNSKRSLYJPK-GZMMTYOYSA-N 1 0 349.284 2.333 20 5 EEBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]2CCO[C@@H]21 ZINC000602553192 469359080 /nfs/dbraw/zinc/35/90/80/469359080.db2.gz AXMCTZZKXPXYHN-OIISXLGYSA-N 1 0 346.431 2.362 20 5 EEBDRO Cc1c(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000616240113 469403664 /nfs/dbraw/zinc/40/36/64/469403664.db2.gz FUSCEVRUZZFXEH-CYBMUJFWSA-N 1 0 334.420 2.433 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609849089 469965603 /nfs/dbraw/zinc/96/56/03/469965603.db2.gz YWYAFLFGJLWEBS-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496976291 534884150 /nfs/dbraw/zinc/88/41/50/534884150.db2.gz GBKSHKJKPLGCGT-CQSZACIVSA-N 1 0 339.392 2.133 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000420236196 528273916 /nfs/dbraw/zinc/27/39/16/528273916.db2.gz DHETZEGEBPUVHN-GFCCVEGCSA-N 1 0 336.392 2.357 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000162720345 528952029 /nfs/dbraw/zinc/95/20/29/528952029.db2.gz GBRAFGDFRHDYET-CYBMUJFWSA-N 1 0 331.376 2.028 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000236821955 535171685 /nfs/dbraw/zinc/17/16/85/535171685.db2.gz AIMRRJZNHPVAIW-UHFFFAOYSA-N 1 0 327.406 2.055 20 5 EEBDRO COc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000446473106 537085333 /nfs/dbraw/zinc/08/53/33/537085333.db2.gz KGUQZUNJHZAWKB-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000729430828 576653837 /nfs/dbraw/zinc/65/38/37/576653837.db2.gz AOFATNKADPCTGB-UHFFFAOYSA-N 1 0 341.383 2.159 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771502679 577216083 /nfs/dbraw/zinc/21/60/83/577216083.db2.gz RYYPAXOXIOPXPF-UHFFFAOYSA-N 1 0 349.416 2.204 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000733882435 577262674 /nfs/dbraw/zinc/26/26/74/577262674.db2.gz MNCZVXNATCMRIB-UHFFFAOYSA-N 1 0 334.420 2.075 20 5 EEBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000761074514 577675638 /nfs/dbraw/zinc/67/56/38/577675638.db2.gz BYUDUAHFLKJSRU-SNVBAGLBSA-N 1 0 345.346 2.341 20 5 EEBDRO Cc1cc(F)cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000753441138 577787560 /nfs/dbraw/zinc/78/75/60/577787560.db2.gz PZEDBDZBSNGGGA-UHFFFAOYSA-N 1 0 344.346 2.400 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000754506501 577807342 /nfs/dbraw/zinc/80/73/42/577807342.db2.gz VADXSXBNWHMTSE-CVEARBPZSA-N 1 0 335.404 2.042 20 5 EEBDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539706 577808322 /nfs/dbraw/zinc/80/83/22/577808322.db2.gz LQHVKQCWTRCQTG-BXUZGUMPSA-N 1 0 349.387 2.162 20 5 EEBDRO CC1(C)CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000755273775 577822801 /nfs/dbraw/zinc/82/28/01/577822801.db2.gz GXICAFTYPGTJNB-UHFFFAOYSA-N 1 0 332.360 2.491 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000749146892 577971715 /nfs/dbraw/zinc/97/17/15/577971715.db2.gz RYIXBPQRFOJPDO-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ncccc1F ZINC001020814143 675511787 /nfs/dbraw/zinc/51/17/87/675511787.db2.gz JMYQXPFAEGQXFQ-JOCQHMNTSA-N 1 0 344.346 2.180 20 5 EEBDRO COc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1[N+](=O)[O-] ZINC000933063834 676424418 /nfs/dbraw/zinc/42/44/18/676424418.db2.gz QHCJNUFDIHHVSW-AWEZNQCLSA-N 1 0 336.388 2.109 20 5 EEBDRO O=C(CC1CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021914988 676548267 /nfs/dbraw/zinc/54/82/67/676548267.db2.gz TYEDUJSIBDCRDN-IYBDPMFKSA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1nscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021987084 676570474 /nfs/dbraw/zinc/57/04/74/676570474.db2.gz ANDYVMRLFIBCNL-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC000891535606 676688697 /nfs/dbraw/zinc/68/86/97/676688697.db2.gz WQNHEMFERAZFJL-UHFFFAOYSA-N 1 0 330.392 2.214 20 5 EEBDRO O=[N+]([O-])c1ccc(CN(Cc2cnc3n2CCOC3)C2CC2)cc1 ZINC000891622263 676732918 /nfs/dbraw/zinc/73/29/18/676732918.db2.gz FMLSYHZPVNGPDL-UHFFFAOYSA-N 1 0 328.372 2.486 20 5 EEBDRO Cn1c2ccccc2c(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1=O ZINC000891661641 676760317 /nfs/dbraw/zinc/76/03/17/676760317.db2.gz IBLWLSAJSKABNL-UHFFFAOYSA-N 1 0 342.399 2.485 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000894674054 683023654 /nfs/dbraw/zinc/02/36/54/683023654.db2.gz SHUPOOJPEZINSC-CQSZACIVSA-N 1 0 327.812 2.185 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)nc1 ZINC001020029923 683524045 /nfs/dbraw/zinc/52/40/45/683524045.db2.gz XLAAARIKCOFLOA-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895247919 684384317 /nfs/dbraw/zinc/38/43/17/684384317.db2.gz KERLVWXXPVJWGR-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000895273904 684421947 /nfs/dbraw/zinc/42/19/47/684421947.db2.gz KUWDHLQHUYPVSL-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000895275227 684422219 /nfs/dbraw/zinc/42/22/19/684422219.db2.gz LOMFJTGQERARDJ-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO Cc1nocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000984726929 685067329 /nfs/dbraw/zinc/06/73/29/685067329.db2.gz ZKUQSWZHOUHDRV-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO CSCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985244485 686128102 /nfs/dbraw/zinc/12/81/02/686128102.db2.gz BACRBCADNGWSGB-UHFFFAOYSA-N 1 0 337.445 2.381 20 5 EEBDRO C[NH+](C)CCCC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101441834 1186815481 /nfs/dbraw/zinc/81/54/81/1186815481.db2.gz NEJBFPNTCFSNMT-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000905603066 1189788936 /nfs/dbraw/zinc/78/89/36/1189788936.db2.gz VRHISYXTEHNXMJ-HUUCEWRRSA-N 1 0 343.383 2.397 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccon1 ZINC001034598055 1196427390 /nfs/dbraw/zinc/42/73/90/1196427390.db2.gz WGQWTRYADBUWNF-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO Cc1c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095926 1198498470 /nfs/dbraw/zinc/49/84/70/1198498470.db2.gz RLZGGTWSJDQPPR-SJLPKXTDSA-N 1 0 330.384 2.477 20 5 EEBDRO Cc1ccc(C)c(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000873192435 1198526044 /nfs/dbraw/zinc/52/60/44/1198526044.db2.gz BBRVRUOEIXCWHD-QZTJIDSGSA-N 1 0 330.384 2.396 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000825665557 1198529411 /nfs/dbraw/zinc/52/94/11/1198529411.db2.gz SQLOAVFNPNVSSU-DLBZAZTESA-N 1 0 347.415 2.105 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874299106 1198850851 /nfs/dbraw/zinc/85/08/51/1198850851.db2.gz NDCBKOKDNJUTQN-UHFFFAOYSA-N 1 0 349.431 2.442 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001134220065 1199404311 /nfs/dbraw/zinc/40/43/11/1199404311.db2.gz FKHHLVMQNHPWAI-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[N@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000825873211 1199611483 /nfs/dbraw/zinc/61/14/83/1199611483.db2.gz SLINKRAJDTYLJM-ZDUSSCGKSA-N 1 0 335.404 2.231 20 5 EEBDRO C[S@@](=O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877051433 1199854359 /nfs/dbraw/zinc/85/43/59/1199854359.db2.gz KTANHCJXFTXJOY-QGZVFWFLSA-N 1 0 341.252 2.277 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327283 1199903655 /nfs/dbraw/zinc/90/36/55/1199903655.db2.gz POHPNCKCFNGOHP-CQSZACIVSA-N 1 0 347.415 2.100 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877343508 1199908903 /nfs/dbraw/zinc/90/89/03/1199908903.db2.gz ZPELVKCMHYJOEB-KRWDZBQOSA-N 1 0 339.395 2.358 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000877551460 1199964046 /nfs/dbraw/zinc/96/40/46/1199964046.db2.gz AGVLLXVFLABVKN-OAHLLOKOSA-N 1 0 345.403 2.133 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000811600011 1200165043 /nfs/dbraw/zinc/16/50/43/1200165043.db2.gz BCTGOPOBTRHWHA-JTQLQIEISA-N 1 0 338.364 2.270 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000811848637 1200376723 /nfs/dbraw/zinc/37/67/23/1200376723.db2.gz MZJQJGLWFCRIPH-JTQLQIEISA-N 1 0 340.380 2.444 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878298602 1200383766 /nfs/dbraw/zinc/38/37/66/1200383766.db2.gz JTLNTXHAACHKKO-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000878504016 1200509602 /nfs/dbraw/zinc/50/96/02/1200509602.db2.gz VZBHOWJLAXJSJR-UHFFFAOYSA-N 1 0 349.366 2.177 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208988 1201422830 /nfs/dbraw/zinc/42/28/30/1201422830.db2.gz OEVIXTZMEXTPCI-CQSZACIVSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCOCC1 ZINC000866340857 1201496243 /nfs/dbraw/zinc/49/62/43/1201496243.db2.gz UEHXYJVCHDRIGN-LRDDRELGSA-N 1 0 340.395 2.432 20 5 EEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364278 1201500726 /nfs/dbraw/zinc/50/07/26/1201500726.db2.gz QDCCZTBBWBDRNM-PVXIVEMSSA-N 1 0 326.368 2.306 20 5 EEBDRO CS[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000882200409 1201830028 /nfs/dbraw/zinc/83/00/28/1201830028.db2.gz HYTLAXGVTZXDAZ-VXGBXAGGSA-N 1 0 326.397 2.145 20 5 EEBDRO [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000131750272 1202060708 /nfs/dbraw/zinc/06/07/08/1202060708.db2.gz ONOUHDFIIVHOFT-UHFFFAOYSA-N 1 0 332.404 2.195 20 5 EEBDRO C[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000883507498 1202078491 /nfs/dbraw/zinc/07/84/91/1202078491.db2.gz BVRYWBXGRHWONW-UHFFFAOYSA-N 1 0 340.811 2.484 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000889826368 1204720792 /nfs/dbraw/zinc/72/07/92/1204720792.db2.gz PICQEKVVGNVTLA-UHFFFAOYSA-N 1 0 347.415 2.415 20 5 EEBDRO COc1c(C(=O)N2CCC([NH2+]C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000889826568 1204721283 /nfs/dbraw/zinc/72/12/83/1204721283.db2.gz RSKWTXCUGHLAAR-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000927707447 1206293476 /nfs/dbraw/zinc/29/34/76/1206293476.db2.gz FNJRUHFHPZZPFE-UHFFFAOYSA-N 1 0 346.412 2.464 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000932761093 1207672909 /nfs/dbraw/zinc/67/29/09/1207672909.db2.gz ZEFFTWRZFYWGRY-DLBZAZTESA-N 1 0 329.400 2.395 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778246287 1207969190 /nfs/dbraw/zinc/96/91/90/1207969190.db2.gz KTJSXBFXDSOEAX-ZDUSSCGKSA-N 1 0 327.331 2.143 20 5 EEBDRO CC(C)C(=O)NCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001111313292 1210171735 /nfs/dbraw/zinc/17/17/35/1210171735.db2.gz VGQVOZAOHYHCNO-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO CN(CCCN1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193466167 1210847381 /nfs/dbraw/zinc/84/73/81/1210847381.db2.gz IICMYDRUKDWKNP-UHFFFAOYSA-N 1 0 327.812 2.402 20 5 EEBDRO Cn1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415132983 1214562884 /nfs/dbraw/zinc/56/28/84/1214562884.db2.gz BNXHUCLOURLGKT-GOSISDBHSA-N 1 0 341.415 2.323 20 5 EEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000795694752 1214948354 /nfs/dbraw/zinc/94/83/54/1214948354.db2.gz RCUICRIVFTXNIX-PMPSAXMXSA-N 1 0 328.372 2.253 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000795702364 1214977079 /nfs/dbraw/zinc/97/70/79/1214977079.db2.gz FAPHRSDSPPRBNY-STQMWFEESA-N 1 0 346.387 2.019 20 5 EEBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)COC)CC1 ZINC000957653975 1215303681 /nfs/dbraw/zinc/30/36/81/1215303681.db2.gz DRHZFZHVDFHAOR-UHFFFAOYSA-N 1 0 349.431 2.302 20 5 EEBDRO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)c1ccccc1[N+](=O)[O-] ZINC001095897146 1215743282 /nfs/dbraw/zinc/74/32/82/1215743282.db2.gz YXGXDODTZIOIQV-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC001020020693 1229445613 /nfs/dbraw/zinc/44/56/13/1229445613.db2.gz VYSNMYVSEMIHKA-JOCQHMNTSA-N 1 0 337.401 2.087 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096038962 1233846907 /nfs/dbraw/zinc/84/69/07/1233846907.db2.gz KNBVMQFODBKASY-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO O=C(C1CCC1)N1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048636612 1238156905 /nfs/dbraw/zinc/15/69/05/1238156905.db2.gz UDHRFJRPXQRPSW-OKILXGFUSA-N 1 0 335.429 2.347 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903865769 1242222004 /nfs/dbraw/zinc/22/20/04/1242222004.db2.gz REAAXHIXFUJKOW-QGZVFWFLSA-N 1 0 332.404 2.060 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097037236 1243603235 /nfs/dbraw/zinc/60/32/35/1243603235.db2.gz JWRUTNSUEHAKPX-HAQNSBGRSA-N 1 0 338.383 2.133 20 5 EEBDRO O=C(CCC1CCOCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134726092 1278007525 /nfs/dbraw/zinc/00/75/25/1278007525.db2.gz QLBYXLIBVIJDIP-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)n1 ZINC001152078463 1282318501 /nfs/dbraw/zinc/31/85/01/1282318501.db2.gz QHAOKBQQGGIJDR-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO O=c1cc(O[C@@H]2CCNCC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218005378 1297545692 /nfs/dbraw/zinc/54/56/92/1297545692.db2.gz FIMSUPBDURPGLX-GFCCVEGCSA-N 1 0 325.271 2.225 20 5 EEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+](C)C ZINC000855414269 1293208177 /nfs/dbraw/zinc/20/81/77/1293208177.db2.gz XZSZBYLUPPDQBR-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999005 1294744811 /nfs/dbraw/zinc/74/48/11/1294744811.db2.gz GIIJPKYEJCGTDW-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1C ZINC001072724830 1296055101 /nfs/dbraw/zinc/05/51/01/1296055101.db2.gz GCCIXXAXBVQASD-IAGOWNOFSA-N 1 0 343.427 2.003 20 5 EEBDRO COc1cc(Br)c(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279371 1297620031 /nfs/dbraw/zinc/62/00/31/1297620031.db2.gz ONTSMVSSEXRXNY-MRVPVSSYSA-N 1 0 331.166 2.497 20 5 EEBDRO COC(=O)c1c(COC2CC[NH+](CCF)CC2)cccc1[N+](=O)[O-] ZINC001223293442 1300063659 /nfs/dbraw/zinc/06/36/59/1300063659.db2.gz PYNXEWQFNYEJGP-UHFFFAOYSA-N 1 0 340.351 2.332 20 5 EEBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC001226060988 1301249530 /nfs/dbraw/zinc/24/95/30/1301249530.db2.gz CJVJCKXKTTUIAR-UHFFFAOYSA-N 1 0 342.417 2.250 20 5 EEBDRO CC(C)OCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226187857 1301291515 /nfs/dbraw/zinc/29/15/15/1301291515.db2.gz QJSDVRXLBOZEJR-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(Br)cnc21 ZINC001226349268 1301371495 /nfs/dbraw/zinc/37/14/95/1301371495.db2.gz QJFANAKJIDQMGU-VIFPVBQESA-N 1 0 326.218 2.261 20 5 EEBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226362527 1301377836 /nfs/dbraw/zinc/37/78/36/1301377836.db2.gz UZXNHRRFZVYOEJ-LBPRGKRZSA-N 1 0 338.360 2.253 20 5 EEBDRO CCOc1cc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1F ZINC001228358744 1302224722 /nfs/dbraw/zinc/22/47/22/1302224722.db2.gz KMJJOIDZWUQSPO-LLVKDONJSA-N 1 0 332.367 2.035 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CCC1 ZINC001111811003 1303924031 /nfs/dbraw/zinc/92/40/31/1303924031.db2.gz BDPXDGYFLABXPX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1nn(C[NH+]2CCC([C@@H]3CCOC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000784004923 1304398082 /nfs/dbraw/zinc/39/80/82/1304398082.db2.gz HQISFVSZOXTFQY-CQSZACIVSA-N 1 0 345.403 2.354 20 5 EEBDRO C[C@H](C[NH+](C)C)Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125469 1304752168 /nfs/dbraw/zinc/75/21/68/1304752168.db2.gz SECZAVKLMBORRU-SECBINFHSA-N 1 0 345.351 2.392 20 5 EEBDRO O=C(NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530634 1305285504 /nfs/dbraw/zinc/28/55/04/1305285504.db2.gz IKHHETGIFUDBNW-HZPDHXFCSA-N 1 0 349.406 2.400 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118261581 1306327166 /nfs/dbraw/zinc/32/71/66/1306327166.db2.gz YRKNSZINUIJCQO-ZJUUUORDSA-N 1 0 329.784 2.130 20 5 EEBDRO CCOCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120563061 1309612740 /nfs/dbraw/zinc/61/27/40/1309612740.db2.gz BHQMAOGUDFRYBF-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1(C(F)(F)F)C[NH2+]C1)CC2 ZINC001246252451 1310267893 /nfs/dbraw/zinc/26/78/93/1310267893.db2.gz HZFGMRKPLATEHP-LBPRGKRZSA-N 1 0 329.322 2.336 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CCC[NH2+][C@H]3C2)c1F ZINC001246659278 1310374818 /nfs/dbraw/zinc/37/48/18/1310374818.db2.gz RIXVBZGWAVJYHK-SCRDCRAPSA-N 1 0 337.395 2.357 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2([NH3+])CCC2)CC1 ZINC000831549496 1314598010 /nfs/dbraw/zinc/59/80/10/1314598010.db2.gz DDNVMCUVTDEKCW-UHFFFAOYSA-N 1 0 346.431 2.442 20 5 EEBDRO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000839551035 1315214375 /nfs/dbraw/zinc/21/43/75/1315214375.db2.gz JNYGAHZUKZZMLR-OAGGEKHMSA-N 1 0 347.415 2.004 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856494 1315624787 /nfs/dbraw/zinc/62/47/87/1315624787.db2.gz QEDJRNHJRIZPBS-NXEZZACHSA-N 1 0 326.784 2.127 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000841859104 1315625391 /nfs/dbraw/zinc/62/53/91/1315625391.db2.gz YTXQZFAYTNQOSK-SNVBAGLBSA-N 1 0 336.726 2.030 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476483 1315712792 /nfs/dbraw/zinc/71/27/92/1315712792.db2.gz PNUNMAPNUWPFJZ-FTGAXOIBSA-N 1 0 340.811 2.163 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000842479749 1315713860 /nfs/dbraw/zinc/71/38/60/1315713860.db2.gz XPGCDMGCTGXLKD-RDJZCZTQSA-N 1 0 337.395 2.452 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108427 1315844808 /nfs/dbraw/zinc/84/48/08/1315844808.db2.gz NWQIHUDYVCJUMN-IRXDYDNUSA-N 1 0 345.399 2.373 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000843356029 1315898516 /nfs/dbraw/zinc/89/85/16/1315898516.db2.gz BOEUJHGOYDHXBX-GFCCVEGCSA-N 1 0 338.364 2.257 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001149630271 1316000864 /nfs/dbraw/zinc/00/08/64/1316000864.db2.gz NNSNXYFOJBEZOW-UHFFFAOYSA-N 1 0 341.339 2.454 20 5 EEBDRO O=C(COc1cccc(F)c1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150902404 1316404679 /nfs/dbraw/zinc/40/46/79/1316404679.db2.gz IJFQXHQJEUVJSG-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001152275592 1316652933 /nfs/dbraw/zinc/65/29/33/1316652933.db2.gz JHGOXQMCXSZPJE-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO N=C(NC(=O)c1ccc2oc3ccccc3c(=O)c2c1)SCC[NH3+] ZINC001153424031 1316826599 /nfs/dbraw/zinc/82/65/99/1316826599.db2.gz AVUXMCBIPYILIS-UHFFFAOYSA-N 1 0 341.392 2.303 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cncc(N2CC[NH+](C)CC2)c1 ZINC001249544455 1317113306 /nfs/dbraw/zinc/11/33/06/1317113306.db2.gz HZIARESZMFVMGD-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO CC(C)COCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154956691 1317401297 /nfs/dbraw/zinc/40/12/97/1317401297.db2.gz SBBVWSCBURUOAU-UHFFFAOYSA-N 1 0 343.449 2.315 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc21 ZINC001155621078 1317677269 /nfs/dbraw/zinc/67/72/69/1317677269.db2.gz LYUHTPXUEUNHOY-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001156086809 1317871399 /nfs/dbraw/zinc/87/13/99/1317871399.db2.gz LJIFNMABDCVADS-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO O=c1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc[nH]1 ZINC001254466878 1318081299 /nfs/dbraw/zinc/08/12/99/1318081299.db2.gz RFBQFESPELVXSO-UHFFFAOYSA-N 1 0 328.372 2.454 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001254545967 1318117728 /nfs/dbraw/zinc/11/77/28/1318117728.db2.gz DTXZTRCAULVBCY-ZBFHGGJFSA-N 1 0 333.432 2.369 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001254556895 1318120359 /nfs/dbraw/zinc/12/03/59/1318120359.db2.gz NAQCLNGEBUPETM-JCGIZDLHSA-N 1 0 345.443 2.321 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599086 1318139117 /nfs/dbraw/zinc/13/91/17/1318139117.db2.gz KEKUXJHBIYJWHI-LSDHHAIUSA-N 1 0 325.372 2.035 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3cnccn3)C1)C2 ZINC001254612466 1318145589 /nfs/dbraw/zinc/14/55/89/1318145589.db2.gz WPAXIFPNGVVCJX-HZPDHXFCSA-N 1 0 326.356 2.005 20 5 EEBDRO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS1 ZINC001254612649 1318145687 /nfs/dbraw/zinc/14/56/87/1318145687.db2.gz XMXIOKKDFXITTF-HUUCEWRRSA-N 1 0 336.413 2.043 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157264653 1318530809 /nfs/dbraw/zinc/53/08/09/1318530809.db2.gz FVLFNGLJIOVPNT-BDAKNGLRSA-N 1 0 343.840 2.291 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(c2cnccn2)C2CC[NH2+]CC2)n1 ZINC001157537886 1318701240 /nfs/dbraw/zinc/70/12/40/1318701240.db2.gz PVKQROZMYIRIME-UHFFFAOYSA-N 1 0 349.782 2.027 20 5 EEBDRO [NH3+]CC[C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c2ccccc21 ZINC001157748946 1318831414 /nfs/dbraw/zinc/83/14/14/1318831414.db2.gz ZIDTVMVHZPRAJM-JTQLQIEISA-N 1 0 334.763 2.466 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001157748365 1318831809 /nfs/dbraw/zinc/83/18/09/1318831809.db2.gz WAYZVNIHWMFSMG-NSHDSACASA-N 1 0 329.360 2.286 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ncc([N+](=O)[O-])c4ccccc43)n2)c1 ZINC001158043409 1318982004 /nfs/dbraw/zinc/98/20/04/1318982004.db2.gz YKOBGLPTUZAGAU-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COc1cc(C)nc(N2CCCc3ccc(C[NH3+])nc32)c1[N+](=O)[O-] ZINC001158650204 1319355331 /nfs/dbraw/zinc/35/53/31/1319355331.db2.gz XWQOKGNAQROMBV-UHFFFAOYSA-N 1 0 329.360 2.245 20 5 EEBDRO Nc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001159545694 1319872423 /nfs/dbraw/zinc/87/24/23/1319872423.db2.gz MFGHKMRGMQCCRO-UHFFFAOYSA-N 1 0 331.420 2.306 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2cnc3cc([N+](=O)[O-])ccc3n2)C2COC2)CC1 ZINC001161275400 1320441840 /nfs/dbraw/zinc/44/18/40/1320441840.db2.gz STCJNRHZKPLZKL-HAQNSBGRSA-N 1 0 343.387 2.013 20 5 EEBDRO COCCC1(CNc2cnc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]CC1 ZINC001161497685 1320519566 /nfs/dbraw/zinc/51/95/66/1320519566.db2.gz YGUGHHZWLHPIAY-UHFFFAOYSA-N 1 0 345.403 2.356 20 5 EEBDRO COc1cc(C)nc(N2CCC([NH3+])(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC001161583488 1320547825 /nfs/dbraw/zinc/54/78/25/1320547825.db2.gz MDXSNMGRZSDECW-UHFFFAOYSA-N 1 0 343.387 2.156 20 5 EEBDRO CC1(C)C[NH2+]C[C@H](CNc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)O1 ZINC001161956476 1320694503 /nfs/dbraw/zinc/69/45/03/1320694503.db2.gz RFEFBKNBSJHGSI-CQSZACIVSA-N 1 0 343.387 2.231 20 5 EEBDRO COc1cnc(-n2cncc2-c2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001162563535 1320899038 /nfs/dbraw/zinc/89/90/38/1320899038.db2.gz NASXDZNRTDLWMO-UHFFFAOYSA-N 1 0 325.328 2.310 20 5 EEBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162778321 1320955211 /nfs/dbraw/zinc/95/52/11/1320955211.db2.gz IYMVLKOPLQKICI-SECBINFHSA-N 1 0 337.339 2.197 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc1Cl ZINC001162795562 1320960471 /nfs/dbraw/zinc/96/04/71/1320960471.db2.gz WTICRXNZJRTQQT-HRDYMLBCSA-N 1 0 330.722 2.056 20 5 EEBDRO COc1nc(C)c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001163649972 1321181133 /nfs/dbraw/zinc/18/11/33/1321181133.db2.gz HLKFJPMBOCWFCW-GOEBONIOSA-N 1 0 336.392 2.020 20 5 EEBDRO CCCOCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163694153 1321194855 /nfs/dbraw/zinc/19/48/55/1321194855.db2.gz SDUNACLYRMLMQK-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165319959 1321500266 /nfs/dbraw/zinc/50/02/66/1321500266.db2.gz MXCXLTJIXRZYJC-NSHDSACASA-N 1 0 325.800 2.397 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC001309405089 1331628566 /nfs/dbraw/zinc/62/85/66/1331628566.db2.gz FZVXJFJWVSWPOU-UHFFFAOYSA-N 1 0 349.840 2.175 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(F)c1 ZINC001320619279 1332922530 /nfs/dbraw/zinc/92/25/30/1332922530.db2.gz SSGHKKGCMTWOBG-BXKDBHETSA-N 1 0 342.758 2.296 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001321721750 1333148358 /nfs/dbraw/zinc/14/83/58/1333148358.db2.gz SYYQOBZWGGTBCF-HZPDHXFCSA-N 1 0 334.420 2.309 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001333053106 1335955618 /nfs/dbraw/zinc/95/56/18/1335955618.db2.gz DXYYKLZTUUQOMY-UHFFFAOYSA-N 1 0 335.408 2.058 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC1CC[NH+](CC2CC2)CC1 ZINC001609603046 1352031692 /nfs/dbraw/zinc/03/16/92/1352031692.db2.gz WUENSGDFBGZHRT-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CCOCC3)CC2)cn1 ZINC001333353193 1336017092 /nfs/dbraw/zinc/01/70/92/1336017092.db2.gz QMAYBHIYUUIEBD-UHFFFAOYSA-N 1 0 334.420 2.365 20 5 EEBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001333655474 1336097797 /nfs/dbraw/zinc/09/77/97/1336097797.db2.gz XHKJDQGAPHJJSG-UHFFFAOYSA-N 1 0 325.674 2.211 20 5 EEBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC001333667184 1336100989 /nfs/dbraw/zinc/10/09/89/1336100989.db2.gz FLKIYVDGIAKJDK-SJORKVTESA-N 1 0 329.400 2.253 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2)c1 ZINC001335497994 1336385083 /nfs/dbraw/zinc/38/50/83/1336385083.db2.gz OFCTWDIWBIMOIJ-JSGCOSHPSA-N 1 0 347.337 2.245 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001335843870 1336436137 /nfs/dbraw/zinc/43/61/37/1336436137.db2.gz SCZVULVFFVXZQR-NSHDSACASA-N 1 0 332.326 2.271 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C1CCCC1 ZINC001336712659 1336584506 /nfs/dbraw/zinc/58/45/06/1336584506.db2.gz MBOMXYNCZWZSHN-LBPRGKRZSA-N 1 0 332.404 2.147 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCN(CC(F)F)CC2)cc1 ZINC001346340181 1337482831 /nfs/dbraw/zinc/48/28/31/1337482831.db2.gz PALZTKXNMGJJOL-HNNXBMFYSA-N 1 0 343.374 2.195 20 5 EEBDRO Cc1ccc(N(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001100278659 1338232525 /nfs/dbraw/zinc/23/25/25/1338232525.db2.gz IAHGGOXWVVVCNU-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC3(C)C)c2)CC1 ZINC001355079830 1338692017 /nfs/dbraw/zinc/69/20/17/1338692017.db2.gz DGSXQYAVWQLWPG-CYBMUJFWSA-N 1 0 332.404 2.331 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)[NH3+] ZINC001575083641 1343730973 /nfs/dbraw/zinc/73/09/73/1343730973.db2.gz VIDLTOAIUMHEES-SECBINFHSA-N 1 0 328.800 2.244 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001576080017 1343963286 /nfs/dbraw/zinc/96/32/86/1343963286.db2.gz ATGGMSCFGWFTJJ-QGZVFWFLSA-N 1 0 349.337 2.406 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576613659 1344040440 /nfs/dbraw/zinc/04/04/40/1344040440.db2.gz XTHWBZOAJQPOFT-PSASIEDQSA-N 1 0 337.767 2.220 20 5 EEBDRO CO[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001578908839 1344317836 /nfs/dbraw/zinc/31/78/36/1344317836.db2.gz KLHCETPPXRJQCB-NVXWUHKLSA-N 1 0 335.404 2.090 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC3(C[NH2+]C3)CC2)c1F ZINC001579642745 1344402408 /nfs/dbraw/zinc/40/24/08/1344402408.db2.gz UBZJGSQNDXFNEE-UHFFFAOYSA-N 1 0 325.315 2.007 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001580227866 1344495089 /nfs/dbraw/zinc/49/50/89/1344495089.db2.gz DJQAGXJIZNGALN-MRVPVSSYSA-N 1 0 345.199 2.233 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590260755 1349238667 /nfs/dbraw/zinc/23/86/67/1349238667.db2.gz RVCAGJCTDYFNAB-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001593467792 1349803647 /nfs/dbraw/zinc/80/36/47/1349803647.db2.gz VKLXYIJKXPNOKW-BETUJISGSA-N 1 0 328.376 2.397 20 5 EEBDRO C[C@H]1CCSCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603910487 1350800524 /nfs/dbraw/zinc/80/05/24/1350800524.db2.gz OXMWMBALYXNVDI-JTQLQIEISA-N 1 0 334.405 2.102 20 5 EEBDRO Cc1ccc(C[NH2+]Cc2csc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001605856550 1351238397 /nfs/dbraw/zinc/23/83/97/1351238397.db2.gz PUOMVVOILGGZRP-UHFFFAOYSA-N 1 0 330.373 2.435 20 5 EEBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001170780206 1367854712 /nfs/dbraw/zinc/85/47/12/1367854712.db2.gz SPDDJLJWBQKAAG-RISCZKNCSA-N 1 0 328.803 2.429 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589105 1368042223 /nfs/dbraw/zinc/04/22/23/1368042223.db2.gz IRNUNOMTRGJLBS-XKQJLSEDSA-N 1 0 348.447 2.471 20 5 EEBDRO CCCOCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199628869 1368687278 /nfs/dbraw/zinc/68/72/78/1368687278.db2.gz GOCSEKOAMLUSFU-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111901961 1371294182 /nfs/dbraw/zinc/29/41/82/1371294182.db2.gz IAXZIFFHSUUYNV-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)nc1 ZINC000783911173 1371374492 /nfs/dbraw/zinc/37/44/92/1371374492.db2.gz YCVWOBOXWWDJHA-GFCCVEGCSA-N 1 0 337.763 2.173 20 5 EEBDRO COc1cc(C(=O)OCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000838052335 1372818796 /nfs/dbraw/zinc/81/87/96/1372818796.db2.gz AWJNLIJBNMPTDM-UHFFFAOYSA-N 1 0 326.324 2.385 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839536978 1372908968 /nfs/dbraw/zinc/90/89/68/1372908968.db2.gz RGYIVLXJZXEZNB-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NCc1ccccc1 ZINC000848527006 1373156840 /nfs/dbraw/zinc/15/68/40/1373156840.db2.gz OVNCJJPZECUYJC-MRXNPFEDSA-N 1 0 325.368 2.488 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001576792316 1403604733 /nfs/dbraw/zinc/60/47/33/1403604733.db2.gz YCKWJPKQVSFPFC-IUCAKERBSA-N 1 0 331.294 2.436 20 5 EEBDRO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]c1 ZINC001755809766 1407863144 /nfs/dbraw/zinc/86/31/44/1407863144.db2.gz XOKKAKRHSYKQGN-UHFFFAOYSA-N 1 0 345.403 2.301 20 5 EEBDRO CCn1nc(C)cc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167263463 757599711 /nfs/dbraw/zinc/59/97/11/757599711.db2.gz FCAQZDVHKHOPKK-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CC(=O)Nc1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1[N+](=O)[O-] ZINC001167313365 757905862 /nfs/dbraw/zinc/90/58/62/757905862.db2.gz JTDROUUTBSVCCZ-UHFFFAOYSA-N 1 0 325.328 2.351 20 5 EEBDRO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001106926558 779017027 /nfs/dbraw/zinc/01/70/27/779017027.db2.gz KKPKMIFLMUJAKK-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CCNC(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000816637355 784159498 /nfs/dbraw/zinc/15/94/98/784159498.db2.gz ALDAXVKIBKTCDN-KRWDZBQOSA-N 1 0 348.447 2.314 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818020157 785146695 /nfs/dbraw/zinc/14/66/95/785146695.db2.gz YDJZFPZGPKTHLH-QGZVFWFLSA-N 1 0 326.356 2.111 20 5 EEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000818942703 785334944 /nfs/dbraw/zinc/33/49/44/785334944.db2.gz IJLQFENHLNVPEW-OALUTQOASA-N 1 0 343.427 2.391 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ncccc2Cl)cc1 ZINC000819159233 785438588 /nfs/dbraw/zinc/43/85/88/785438588.db2.gz KMHXFQGFUCKGEA-AWEZNQCLSA-N 1 0 337.763 2.345 20 5 EEBDRO COc1cc(Cc2noc([C@H]3CC[NH2+][C@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823146279 787567122 /nfs/dbraw/zinc/56/71/22/787567122.db2.gz NXXMKLJYTDFKNK-CABZTGNLSA-N 1 0 348.359 2.051 20 5 EEBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000843987301 788768431 /nfs/dbraw/zinc/76/84/31/788768431.db2.gz CPUWSGLCMRUORV-GFCCVEGCSA-N 1 0 339.367 2.055 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1coc(C2CCC2)n1 ZINC001147095835 791698068 /nfs/dbraw/zinc/69/80/68/791698068.db2.gz IQXYPNWBHCTWOD-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO [NH3+]CCc1cc2ccccc2n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001171301441 791768415 /nfs/dbraw/zinc/76/84/15/791768415.db2.gz PEPXSJRIKUNMMQ-UHFFFAOYSA-N 1 0 332.747 2.327 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000173449552 791857103 /nfs/dbraw/zinc/85/71/03/791857103.db2.gz GTGGHDVXTKWEKJ-CYBMUJFWSA-N 1 0 348.403 2.124 20 5 EEBDRO COc1ccsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148626163 792610159 /nfs/dbraw/zinc/61/01/59/792610159.db2.gz AAFTVXDUCARYML-UHFFFAOYSA-N 1 0 335.385 2.185 20 5 EEBDRO O=C(CCc1ccccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148825800 792701986 /nfs/dbraw/zinc/70/19/86/792701986.db2.gz LXPMFJZLPYRMDZ-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO CCCCCCOCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149025601 792856672 /nfs/dbraw/zinc/85/66/72/792856672.db2.gz HQGPNVKKPYKDHB-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172898940 797128458 /nfs/dbraw/zinc/12/84/58/797128458.db2.gz JUSGGGWYRMJJEN-SJORKVTESA-N 1 0 331.416 2.443 20 5 EEBDRO COCCCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172917737 797149698 /nfs/dbraw/zinc/14/96/98/797149698.db2.gz WQMLRHQSLIFBND-SFHVURJKSA-N 1 0 347.459 2.496 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](F)C(C)(C)O)c1F ZINC001173177701 797278120 /nfs/dbraw/zinc/27/81/20/797278120.db2.gz DIBSMNFPBLWCBA-NOZJJQNGSA-N 1 0 332.347 2.372 20 5 EEBDRO CC(=O)OCN1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231072 797312237 /nfs/dbraw/zinc/31/22/37/797312237.db2.gz XCOHKKFVLFODHQ-ZDUSSCGKSA-N 1 0 335.404 2.100 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177212447 798795245 /nfs/dbraw/zinc/79/52/45/798795245.db2.gz XGQNAIVYQMFASP-XYJQFASLSA-N 1 0 343.427 2.483 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001110317502 801242449 /nfs/dbraw/zinc/24/24/49/801242449.db2.gz OQVUDRMDSHDJFR-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCOCC1 ZINC001086290888 802678570 /nfs/dbraw/zinc/67/85/70/802678570.db2.gz IUUFKZDFGKGQCU-KOMQPUFPSA-N 1 0 347.415 2.006 20 5 EEBDRO Cc1ncn(-c2ncc(F)c(C)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168783137 803325263 /nfs/dbraw/zinc/32/52/63/803325263.db2.gz BCWURMKEWAKGON-UHFFFAOYSA-N 1 0 325.369 2.123 20 5 EEBDRO COc1cccc(Cn2cncc2C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168994601 803561593 /nfs/dbraw/zinc/56/15/93/803561593.db2.gz QGHRSMKOANDIOE-HZPDHXFCSA-N 1 0 344.415 2.475 20 5 EEBDRO O=C1CCCCN1c1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168995579 803562020 /nfs/dbraw/zinc/56/20/20/803562020.db2.gz SBJYNELRJCCXOW-LSDHHAIUSA-N 1 0 332.404 2.134 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001303 803566404 /nfs/dbraw/zinc/56/64/04/803566404.db2.gz FMVBUUBUZWGLMH-JXFSHQFZSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001169005937 803567968 /nfs/dbraw/zinc/56/79/68/803567968.db2.gz WDMDSBSRFIZZCU-UONOGXRCSA-N 1 0 332.466 2.015 20 5 EEBDRO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008250 803569656 /nfs/dbraw/zinc/56/96/56/803569656.db2.gz SKUUDBRLXHBCQC-ZSYWTGECSA-N 1 0 347.459 2.311 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(Cl)nn3)CC2)C1 ZINC001169039701 803582040 /nfs/dbraw/zinc/58/20/40/803582040.db2.gz SMOPVPULMKRWRQ-RYUDHWBXSA-N 1 0 340.811 2.419 20 5 EEBDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[C@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169019461 803587577 /nfs/dbraw/zinc/58/75/77/803587577.db2.gz IGMXJVXTQYWZJV-NJVJYBDUSA-N 1 0 336.392 2.118 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)C1 ZINC001169021701 803588152 /nfs/dbraw/zinc/58/81/52/803588152.db2.gz PQOJAFAECSEDHV-IXDOHACOSA-N 1 0 348.447 2.187 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169025146 803590412 /nfs/dbraw/zinc/59/04/12/803590412.db2.gz SNIMZVFJFUTYAS-CBZIJGRNSA-N 1 0 347.415 2.139 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)C1 ZINC001169026420 803591905 /nfs/dbraw/zinc/59/19/05/803591905.db2.gz WSWDPBGKQGFKJE-JKSUJKDBSA-N 1 0 343.431 2.384 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001169075952 803605722 /nfs/dbraw/zinc/60/57/22/803605722.db2.gz SOZFZOTVZJVJPW-UHFFFAOYSA-N 1 0 338.389 2.171 20 5 EEBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788519521 807561535 /nfs/dbraw/zinc/56/15/35/807561535.db2.gz NILKIDLJINQTKN-NSHDSACASA-N 1 0 328.372 2.387 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC001170306440 809874940 /nfs/dbraw/zinc/87/49/40/809874940.db2.gz VFSLWMMWVPOIIH-GFCCVEGCSA-N 1 0 343.383 2.423 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170313986 809886488 /nfs/dbraw/zinc/88/64/88/809886488.db2.gz SKJSFRLGSNKWAN-YUTCNCBUSA-N 1 0 336.388 2.466 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C2CN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170325952 809891891 /nfs/dbraw/zinc/89/18/91/809891891.db2.gz YXDANGNBJWEORE-CYBMUJFWSA-N 1 0 342.399 2.408 20 5 EEBDRO COc1ccc(OCCN2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173787142 231032699 /nfs/dbraw/zinc/03/26/99/231032699.db2.gz FJFMHWVSBUVGNA-HNNXBMFYSA-N 1 0 349.431 2.400 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129629039 529804386 /nfs/dbraw/zinc/80/43/86/529804386.db2.gz UUODPLMJUMRIJI-SECBINFHSA-N 1 0 331.294 2.295 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000067725771 215195707 /nfs/dbraw/zinc/19/57/07/215195707.db2.gz AGBRSVKNOBCCIE-UHFFFAOYSA-N 1 0 332.404 2.365 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420608739 283386720 /nfs/dbraw/zinc/38/67/20/283386720.db2.gz IZPINOGGSHTSQB-IUODEOHRSA-N 1 0 344.415 2.147 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000192473634 237316799 /nfs/dbraw/zinc/31/67/99/237316799.db2.gz AUCQHNANXSBBTQ-UHFFFAOYSA-N 1 0 326.422 2.133 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000193493364 237398375 /nfs/dbraw/zinc/39/83/75/237398375.db2.gz NULSKECWEJLZAB-RHSMWYFYSA-N 1 0 349.434 2.411 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCn1ccnc1 ZINC000130363212 223147848 /nfs/dbraw/zinc/14/78/48/223147848.db2.gz RYNGYWXPIAIVBH-UHFFFAOYSA-N 1 0 331.376 2.060 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000072839545 216315339 /nfs/dbraw/zinc/31/53/39/216315339.db2.gz ZQVDSVLBSNMONB-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO COc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1OCC[NH+](C)C ZINC000416339385 239193404 /nfs/dbraw/zinc/19/34/04/239193404.db2.gz GSOOENPUHVWWPO-UHFFFAOYSA-N 1 0 348.359 2.124 20 5 EEBDRO COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCC[NH+](C)C ZINC000416342046 239193504 /nfs/dbraw/zinc/19/35/04/239193504.db2.gz OLAYGIMPQNRKDO-UHFFFAOYSA-N 1 0 349.343 2.389 20 5 EEBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000132495619 223336773 /nfs/dbraw/zinc/33/67/73/223336773.db2.gz IZBYPJKESQSGDG-UHFFFAOYSA-N 1 0 329.360 2.209 20 5 EEBDRO Cc1sc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000445705505 242126947 /nfs/dbraw/zinc/12/69/47/242126947.db2.gz ULWOKZLNJKIOSI-UHFFFAOYSA-N 1 0 347.462 2.070 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000451492374 243132627 /nfs/dbraw/zinc/13/26/27/243132627.db2.gz OIBHFFMLTBTIOP-USXIJHARSA-N 1 0 345.399 2.471 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000451887366 243292448 /nfs/dbraw/zinc/29/24/48/243292448.db2.gz JVYBLTKZOFHPII-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000453030444 243378468 /nfs/dbraw/zinc/37/84/68/243378468.db2.gz HDSZHIVUEBHONC-BPQIPLTHSA-N 1 0 332.400 2.455 20 5 EEBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000456318991 244214209 /nfs/dbraw/zinc/21/42/09/244214209.db2.gz NNVSJYXJTWLWCB-CQSZACIVSA-N 1 0 342.355 2.497 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262838508 245205337 /nfs/dbraw/zinc/20/53/37/245205337.db2.gz QYVFFTUSJYAHNA-CYBMUJFWSA-N 1 0 329.360 2.277 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747577 245234474 /nfs/dbraw/zinc/23/44/74/245234474.db2.gz GGHNCOAATVIMLC-LSDHHAIUSA-N 1 0 333.388 2.105 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000264943108 247070308 /nfs/dbraw/zinc/07/03/08/247070308.db2.gz IABRLYNQKMWPOZ-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000265024115 247141413 /nfs/dbraw/zinc/14/14/13/247141413.db2.gz FJQOOYPKYCFAJD-LBPRGKRZSA-N 1 0 331.376 2.107 20 5 EEBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000495964676 247242774 /nfs/dbraw/zinc/24/27/74/247242774.db2.gz YQDHWYZKIIAEOG-LYKUJDHUSA-N 1 0 331.372 2.382 20 5 EEBDRO Cc1ccnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000265146303 247246184 /nfs/dbraw/zinc/24/61/84/247246184.db2.gz AGJOZNUMQRJSDI-INIZCTEOSA-N 1 0 342.399 2.129 20 5 EEBDRO C[N@@H+](Cc1csc2ccccc12)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266395939 248281128 /nfs/dbraw/zinc/28/11/28/248281128.db2.gz DDNQFLSGZUMCLF-AWEZNQCLSA-N 1 0 346.412 2.499 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093899750 218256839 /nfs/dbraw/zinc/25/68/39/218256839.db2.gz QUFAGZCJMWHKQP-VIFPVBQESA-N 1 0 331.319 2.010 20 5 EEBDRO CC(C)[NH2+]C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000097230556 219000649 /nfs/dbraw/zinc/00/06/49/219000649.db2.gz QSLWIVATQXFACO-UHFFFAOYSA-N 1 0 335.404 2.328 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c2ncccc12 ZINC000174685974 285134878 /nfs/dbraw/zinc/13/48/78/285134878.db2.gz NDKLNDBYCRLWIM-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C(C)C)cc1SC ZINC000157064544 533132602 /nfs/dbraw/zinc/13/26/02/533132602.db2.gz YJYPUGQGUDYBRX-JTQLQIEISA-N 1 0 327.406 2.038 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267863925 256092747 /nfs/dbraw/zinc/09/27/47/256092747.db2.gz BCEPWZNEJVFYNZ-TZMCWYRMSA-N 1 0 332.404 2.062 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267929850 256097749 /nfs/dbraw/zinc/09/77/49/256097749.db2.gz DYUAFISZSBKJRS-UHFFFAOYSA-N 1 0 348.172 2.178 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268103442 256113595 /nfs/dbraw/zinc/11/35/95/256113595.db2.gz FCPMWAZICLMTJH-CYBMUJFWSA-N 1 0 340.811 2.484 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270554753 256147903 /nfs/dbraw/zinc/14/79/03/256147903.db2.gz RYVWCZDZMBPBBJ-CJNGLKHVSA-N 1 0 332.404 2.015 20 5 EEBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000270860768 256180743 /nfs/dbraw/zinc/18/07/43/256180743.db2.gz ICMZHHUOLNKPIF-GPCCPHFNSA-N 1 0 341.795 2.278 20 5 EEBDRO C[C@]1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273065470 256262003 /nfs/dbraw/zinc/26/20/03/256262003.db2.gz ZNDYACMJQKWOQX-KRWDZBQOSA-N 1 0 332.404 2.289 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CC2)cc1 ZINC000419353550 533415271 /nfs/dbraw/zinc/41/52/71/533415271.db2.gz LJSIDRLHHHCSEC-SJKOYZFVSA-N 1 0 330.388 2.380 20 5 EEBDRO COc1ccc(CCC[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159771194 533469116 /nfs/dbraw/zinc/46/91/16/533469116.db2.gz WAXWSLGTKVFWDP-UHFFFAOYSA-N 1 0 345.399 2.330 20 5 EEBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352203506 153003689 /nfs/dbraw/zinc/00/36/89/153003689.db2.gz SGMIVMSDLNGPAZ-ZJUUUORDSA-N 1 0 329.784 2.278 20 5 EEBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052932181 158957451 /nfs/dbraw/zinc/95/74/51/158957451.db2.gz DNXMFIFRBCFKAJ-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000237718898 160224712 /nfs/dbraw/zinc/22/47/12/160224712.db2.gz GDZDZDILLMKLLJ-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341284028 160978823 /nfs/dbraw/zinc/97/88/23/160978823.db2.gz KMJZAQXPTYFFHI-UHFFFAOYSA-N 1 0 349.431 2.143 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000342117739 161040745 /nfs/dbraw/zinc/04/07/45/161040745.db2.gz ZIWUMRQPDKDYKI-ZQDZILKHSA-N 1 0 346.431 2.289 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000342134914 161042485 /nfs/dbraw/zinc/04/24/85/161042485.db2.gz SVASWIALEIOGPS-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000342318815 161055862 /nfs/dbraw/zinc/05/58/62/161055862.db2.gz MRSZJHJETUDLTK-SJCJKPOMSA-N 1 0 335.404 2.284 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+]1C ZINC000343428323 161135439 /nfs/dbraw/zinc/13/54/39/161135439.db2.gz HIYVRTXVZDAEAM-IAQYHMDHSA-N 1 0 330.388 2.218 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000343759496 161165623 /nfs/dbraw/zinc/16/56/23/161165623.db2.gz CNNBKHQXXPEBLJ-NEPJUHHUSA-N 1 0 333.388 2.349 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000345974131 161346687 /nfs/dbraw/zinc/34/66/87/161346687.db2.gz XRJIAGGZALTGIK-MNOVXSKESA-N 1 0 331.376 2.026 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000345974130 161346818 /nfs/dbraw/zinc/34/68/18/161346818.db2.gz XRJIAGGZALTGIK-GHMZBOCLSA-N 1 0 331.376 2.026 20 5 EEBDRO COc1cc(C[NH2+]CCN2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352835076 162305181 /nfs/dbraw/zinc/30/51/81/162305181.db2.gz WXVSBTJAIOGOHI-UHFFFAOYSA-N 1 0 345.346 2.043 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269176527 287000267 /nfs/dbraw/zinc/00/02/67/287000267.db2.gz HBOFWIOYZYRFOK-UKRRQHHQSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359214022 164084743 /nfs/dbraw/zinc/08/47/43/164084743.db2.gz PEIUBAJWQVOEDP-XHDPSFHLSA-N 1 0 332.404 2.185 20 5 EEBDRO CSc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111454 164429105 /nfs/dbraw/zinc/42/91/05/164429105.db2.gz RSWHNPGXTPOXET-QWHCGFSZSA-N 1 0 335.429 2.435 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000374435147 167042272 /nfs/dbraw/zinc/04/22/72/167042272.db2.gz DVDWRPKBFNXSOZ-AGUYFDCRSA-N 1 0 332.404 2.268 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000374853910 167052494 /nfs/dbraw/zinc/05/24/94/167052494.db2.gz HAZMPUVUWDNCGB-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000124207665 222391095 /nfs/dbraw/zinc/39/10/95/222391095.db2.gz BYWDXGUHCUHTCC-YPMHNXCESA-N 1 0 342.399 2.360 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000124232454 222395989 /nfs/dbraw/zinc/39/59/89/222395989.db2.gz HBCYMESJKVAHIV-UHFFFAOYSA-N 1 0 345.403 2.450 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124298906 222407182 /nfs/dbraw/zinc/40/71/82/222407182.db2.gz GWPUVIUNGGJRBX-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000171766767 227270870 /nfs/dbraw/zinc/27/08/70/227270870.db2.gz UIFRIPUAXFRLAQ-UHFFFAOYSA-N 1 0 337.420 2.194 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272407459 268970126 /nfs/dbraw/zinc/97/01/26/268970126.db2.gz KLRCURYPASUZPZ-JTQLQIEISA-N 1 0 348.346 2.355 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCO1 ZINC000277993589 269204660 /nfs/dbraw/zinc/20/46/60/269204660.db2.gz NCIVTJLUXZPMPJ-ZDUSSCGKSA-N 1 0 334.420 2.476 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000193263812 274056818 /nfs/dbraw/zinc/05/68/18/274056818.db2.gz HBWUIBHHLZZVTO-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO CCn1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000271465823 274132980 /nfs/dbraw/zinc/13/29/80/274132980.db2.gz IDUIROVIADWILM-LBPRGKRZSA-N 1 0 331.376 2.318 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)COC1 ZINC000271575315 274142817 /nfs/dbraw/zinc/14/28/17/274142817.db2.gz ZGZAYZVVCVXNNG-GFCCVEGCSA-N 1 0 326.418 2.064 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000194729912 274144824 /nfs/dbraw/zinc/14/48/24/274144824.db2.gz UEVVBNDIAKBMBD-OCCSQVGLSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554455 274175317 /nfs/dbraw/zinc/17/53/17/274175317.db2.gz RYANZAOGAUAXQF-GUYCJALGSA-N 1 0 343.431 2.490 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272755087 274181583 /nfs/dbraw/zinc/18/15/83/274181583.db2.gz FIRAWUMGHUMDLD-PWSUYJOCSA-N 1 0 335.408 2.009 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277396954 274288582 /nfs/dbraw/zinc/28/85/82/274288582.db2.gz JODTZQXMARISPP-INIZCTEOSA-N 1 0 346.431 2.453 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000277596149 274317672 /nfs/dbraw/zinc/31/76/72/274317672.db2.gz OBPVDXLHVBZDOS-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555409 274372030 /nfs/dbraw/zinc/37/20/30/274372030.db2.gz BXGXVPZFMVXZMJ-YVEFUNNKSA-N 1 0 332.356 2.484 20 5 EEBDRO O=C1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CCC2)N1 ZINC000285174300 274689284 /nfs/dbraw/zinc/68/92/84/274689284.db2.gz CTMRRPZCNKXUMK-CYBMUJFWSA-N 1 0 325.315 2.164 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000285338258 274714822 /nfs/dbraw/zinc/71/48/22/274714822.db2.gz UQEHQISOHLRMDD-JSGCOSHPSA-N 1 0 342.417 2.049 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285899720 274811543 /nfs/dbraw/zinc/81/15/43/274811543.db2.gz CURVIEOZVYZNAU-UVWXRNBGSA-N 1 0 332.404 2.285 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600213 275074413 /nfs/dbraw/zinc/07/44/13/275074413.db2.gz YPDGTBFCTGQYIZ-ABAIWWIYSA-N 1 0 348.359 2.202 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290790343 275240089 /nfs/dbraw/zinc/24/00/89/275240089.db2.gz DBEPJGBINDMOOF-LBPRGKRZSA-N 1 0 347.246 2.237 20 5 EEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000368393448 277053853 /nfs/dbraw/zinc/05/38/53/277053853.db2.gz OGRQXBIJWJBAKP-CYBMUJFWSA-N 1 0 338.839 2.464 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236652967 277907227 /nfs/dbraw/zinc/90/72/27/277907227.db2.gz UYIXWXQAGOMYTK-LLVKDONJSA-N 1 0 349.840 2.242 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000114478966 280246206 /nfs/dbraw/zinc/24/62/06/280246206.db2.gz ZGPDHAXYMKNXBB-UONOGXRCSA-N 1 0 334.420 2.114 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000293954053 293336413 /nfs/dbraw/zinc/33/64/13/293336413.db2.gz PBQNOKPPJSGHAF-UHFFFAOYSA-N 1 0 337.424 2.266 20 5 EEBDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000296149913 293902966 /nfs/dbraw/zinc/90/29/66/293902966.db2.gz XXZMARZHLVDIIQ-OAHLLOKOSA-N 1 0 337.420 2.277 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000296810470 294073317 /nfs/dbraw/zinc/07/33/17/294073317.db2.gz RJLKFXPNXAWSCF-DOMZBBRYSA-N 1 0 344.367 2.317 20 5 EEBDRO Cc1nc(N(C)Cc2nccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000296918552 294101456 /nfs/dbraw/zinc/10/14/56/294101456.db2.gz APRVCABOPGVUSR-UHFFFAOYSA-N 1 0 330.270 2.088 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000297149718 294164712 /nfs/dbraw/zinc/16/47/12/294164712.db2.gz OGFYSEDXLOGBMP-TZMCWYRMSA-N 1 0 337.424 2.242 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297237641 294189290 /nfs/dbraw/zinc/18/92/90/294189290.db2.gz SBRNOXKCBRGQKC-UHFFFAOYSA-N 1 0 336.367 2.063 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297515092 294266578 /nfs/dbraw/zinc/26/65/78/294266578.db2.gz UYJLVIXKUPNJRG-UHFFFAOYSA-N 1 0 346.391 2.017 20 5 EEBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298889153 294610078 /nfs/dbraw/zinc/61/00/78/294610078.db2.gz UTNNPNXASCDLQM-OAHLLOKOSA-N 1 0 328.372 2.490 20 5 EEBDRO COc1ccc(C[C@@H](C)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000185304688 295136454 /nfs/dbraw/zinc/13/64/54/295136454.db2.gz MDWJAOBBTIZNLF-GFCCVEGCSA-N 1 0 336.367 2.407 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124628847 304818180 /nfs/dbraw/zinc/81/81/80/304818180.db2.gz BMXLNAVPZZHFFF-NWDGAFQWSA-N 1 0 333.310 2.467 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000360422030 312411679 /nfs/dbraw/zinc/41/16/79/312411679.db2.gz BOTAEWKHUYJWTH-CQSZACIVSA-N 1 0 337.420 2.375 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000415500836 313133450 /nfs/dbraw/zinc/13/34/50/313133450.db2.gz LMWPUSSPYBNVGG-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO NC(=O)CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000421347490 314088898 /nfs/dbraw/zinc/08/88/98/314088898.db2.gz CMEFUOFUTDUUMV-UHFFFAOYSA-N 1 0 346.412 2.464 20 5 EEBDRO Cc1cc(OCC(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000421678549 314140485 /nfs/dbraw/zinc/14/04/85/314140485.db2.gz BDJSMMMVUNXKKQ-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000421742346 314153200 /nfs/dbraw/zinc/15/32/00/314153200.db2.gz RXCIGNUQLXZLHZ-HNNXBMFYSA-N 1 0 349.431 2.298 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459794499 315759955 /nfs/dbraw/zinc/75/99/55/315759955.db2.gz POIIAECKSBSTII-GFCCVEGCSA-N 1 0 331.376 2.316 20 5 EEBDRO COc1ccc(CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000525165209 317041419 /nfs/dbraw/zinc/04/14/19/317041419.db2.gz DDTZQUKEDDEMOE-OAHLLOKOSA-N 1 0 349.431 2.479 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000536833388 318011219 /nfs/dbraw/zinc/01/12/19/318011219.db2.gz NNGJQFLXTJGILV-QWRGUYRKSA-N 1 0 330.406 2.077 20 5 EEBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574350 318132917 /nfs/dbraw/zinc/13/29/17/318132917.db2.gz NGAQUCPNOOVJRB-XJKSGUPXSA-N 1 0 348.403 2.463 20 5 EEBDRO COc1ccccc1[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000542910377 318147123 /nfs/dbraw/zinc/14/71/23/318147123.db2.gz GPMIJOSFPWTRIP-MRXNPFEDSA-N 1 0 332.356 2.305 20 5 EEBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000547726957 318315966 /nfs/dbraw/zinc/31/59/66/318315966.db2.gz JOTCPIJYNXANCT-HNNXBMFYSA-N 1 0 347.802 2.477 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738168 318317313 /nfs/dbraw/zinc/31/73/13/318317313.db2.gz VHKBEVNSRKNCQI-OAHLLOKOSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000556959374 318663528 /nfs/dbraw/zinc/66/35/28/318663528.db2.gz UXKUGYYYFLAFEF-XNJGSVPQSA-N 1 0 335.404 2.453 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)Cc2ccco2)n1 ZINC000562603541 318902316 /nfs/dbraw/zinc/90/23/16/318902316.db2.gz PJXKHTVSNHTJHE-VNQPRFMTSA-N 1 0 348.403 2.309 20 5 EEBDRO CCOC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000563000444 318955892 /nfs/dbraw/zinc/95/58/92/318955892.db2.gz MEDZCURFFUEAKI-OAHLLOKOSA-N 1 0 338.404 2.273 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000564331812 319079184 /nfs/dbraw/zinc/07/91/84/319079184.db2.gz YFUYFQYGFPVWKV-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO CNc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000565633259 319199457 /nfs/dbraw/zinc/19/94/57/319199457.db2.gz GTPQVFKWNZUYJM-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCS1 ZINC000566004737 319234070 /nfs/dbraw/zinc/23/40/70/319234070.db2.gz ATLOETQBNZGDRC-WFASDCNBSA-N 1 0 326.418 2.210 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567926514 319435634 /nfs/dbraw/zinc/43/56/34/319435634.db2.gz JVZHQMHYXUVORH-SFYZADRCSA-N 1 0 347.318 2.060 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000572604589 319861128 /nfs/dbraw/zinc/86/11/28/319861128.db2.gz SZZWVGGTAQHXCZ-HUUCEWRRSA-N 1 0 346.431 2.197 20 5 EEBDRO CN(CCC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000577459982 320255944 /nfs/dbraw/zinc/25/59/44/320255944.db2.gz WPIZJZHWIMQENS-UHFFFAOYSA-N 1 0 331.376 2.009 20 5 EEBDRO Cc1c(Br)c(N[C@H](CC[NH3+])C(F)F)ncc1[N+](=O)[O-] ZINC000383326699 323526601 /nfs/dbraw/zinc/52/66/01/323526601.db2.gz UFHJHSUWBKPIAL-ZCFIWIBFSA-N 1 0 339.140 2.455 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000580480475 324071935 /nfs/dbraw/zinc/07/19/35/324071935.db2.gz YCTDFVYEKVFJSX-NSHDSACASA-N 1 0 344.371 2.063 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 ZINC000326487599 465039445 /nfs/dbraw/zinc/03/94/45/465039445.db2.gz MIWFSCPAUDQSTA-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO Cc1c(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000355161142 465228574 /nfs/dbraw/zinc/22/85/74/465228574.db2.gz JWGULDNPAHBCKX-GFCCVEGCSA-N 1 0 326.418 2.206 20 5 EEBDRO Cc1c(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000358691091 465266923 /nfs/dbraw/zinc/26/69/23/465266923.db2.gz WTHJEMWOFGDDJN-CYBMUJFWSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128574433 462654186 /nfs/dbraw/zinc/65/41/86/462654186.db2.gz GOCZKYUJFOPEOC-ABAIWWIYSA-N 1 0 339.367 2.298 20 5 EEBDRO CCOc1ccc(NC(=O)C[N@H+](CC)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000114487461 462656479 /nfs/dbraw/zinc/65/64/79/462656479.db2.gz QNILTDKEMQVXEE-UHFFFAOYSA-N 1 0 339.392 2.025 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153707077 462680776 /nfs/dbraw/zinc/68/07/76/462680776.db2.gz ZGJUQSBFIVEFPL-GHMZBOCLSA-N 1 0 341.795 2.226 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000115519210 462718362 /nfs/dbraw/zinc/71/83/62/462718362.db2.gz YSBTVJGQAFCVRQ-LBPRGKRZSA-N 1 0 332.404 2.258 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000064914581 462727086 /nfs/dbraw/zinc/72/70/86/462727086.db2.gz PZLDDRQARUBXPI-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075743280 462756602 /nfs/dbraw/zinc/75/66/02/462756602.db2.gz ISBKHRBWPZVIRV-WMZOPIPTSA-N 1 0 344.415 2.168 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000090015344 462766629 /nfs/dbraw/zinc/76/66/29/462766629.db2.gz FYNISFKKJZBQJQ-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000131790551 462827394 /nfs/dbraw/zinc/82/73/94/462827394.db2.gz JNEIUTHBBQPRMA-CYBMUJFWSA-N 1 0 326.418 2.385 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000076348153 462846183 /nfs/dbraw/zinc/84/61/83/462846183.db2.gz WQIOJGOVWDFLRX-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092652814 462969389 /nfs/dbraw/zinc/96/93/89/462969389.db2.gz GJQIBDMXBFQKAD-UHFFFAOYSA-N 1 0 343.431 2.217 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000120220295 462974183 /nfs/dbraw/zinc/97/41/83/462974183.db2.gz ARYXFXRBPPAMSK-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000156367082 463014940 /nfs/dbraw/zinc/01/49/40/463014940.db2.gz ZBWOABHWEMBBTN-LLVKDONJSA-N 1 0 348.346 2.354 20 5 EEBDRO Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000023913618 463072946 /nfs/dbraw/zinc/07/29/46/463072946.db2.gz QGPNSGAVSBXCQM-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000068085304 463090866 /nfs/dbraw/zinc/09/08/66/463090866.db2.gz FFNPGADCCVKUKK-ZDUSSCGKSA-N 1 0 334.420 2.419 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000068115423 463094602 /nfs/dbraw/zinc/09/46/02/463094602.db2.gz AREGGLAKSBGXRV-LBPRGKRZSA-N 1 0 345.403 2.323 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157182983 463106924 /nfs/dbraw/zinc/10/69/24/463106924.db2.gz RSGNAHQXVGSABT-KGLIPLIRSA-N 1 0 333.388 2.160 20 5 EEBDRO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000026449901 463163682 /nfs/dbraw/zinc/16/36/82/463163682.db2.gz FUDOAKCVIINDJS-UHFFFAOYSA-N 1 0 339.392 2.146 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000026713669 463170288 /nfs/dbraw/zinc/17/02/88/463170288.db2.gz YMIJIYINGZGVQX-QGZVFWFLSA-N 1 0 343.383 2.394 20 5 EEBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(CO)CC1 ZINC000136143364 463223039 /nfs/dbraw/zinc/22/30/39/463223039.db2.gz HRBJYVPRLKJWCD-UHFFFAOYSA-N 1 0 336.388 2.444 20 5 EEBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522048025 468351916 /nfs/dbraw/zinc/35/19/16/468351916.db2.gz NOPZOGUHOCBHKV-CQSZACIVSA-N 1 0 339.399 2.431 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139915670 463333757 /nfs/dbraw/zinc/33/37/57/463333757.db2.gz MLFQXCDYFYFQRH-HUUCEWRRSA-N 1 0 346.431 2.258 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000160692365 463362132 /nfs/dbraw/zinc/36/21/32/463362132.db2.gz GWOXRJWGRNMVEP-ZDUSSCGKSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCn1ccnc1 ZINC000124384678 463416348 /nfs/dbraw/zinc/41/63/48/463416348.db2.gz DDTHJFXRBYSLGL-CYBMUJFWSA-N 1 0 331.376 2.140 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000161849553 463462501 /nfs/dbraw/zinc/46/25/01/463462501.db2.gz CZSRTZJVPPMXLA-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO CC1CC[NH+](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488294 463490892 /nfs/dbraw/zinc/49/08/92/463490892.db2.gz VPVZJLSKGXMDGW-UHFFFAOYSA-N 1 0 349.435 2.038 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCN(Cc2cccnc2)CC1 ZINC000125253534 463521023 /nfs/dbraw/zinc/52/10/23/463521023.db2.gz XMBSYWWJARRFDT-UHFFFAOYSA-N 1 0 330.363 2.447 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522256640 468365983 /nfs/dbraw/zinc/36/59/83/468365983.db2.gz HQGIAZAJDXNHQC-SFHVURJKSA-N 1 0 341.367 2.170 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109805871 463650738 /nfs/dbraw/zinc/65/07/38/463650738.db2.gz YZXCCALQMZPQSK-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC[NH2+]CC2 ZINC000276665153 463711207 /nfs/dbraw/zinc/71/12/07/463711207.db2.gz JZAGYNDZAOBWRX-UHFFFAOYSA-N 1 0 339.395 2.256 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255430980 463725812 /nfs/dbraw/zinc/72/58/12/463725812.db2.gz WZLXUVBDBUUXDH-QWGSZXSUSA-N 1 0 335.404 2.081 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185433099 463822082 /nfs/dbraw/zinc/82/20/82/463822082.db2.gz QYXUNWDLVGECMM-GFCCVEGCSA-N 1 0 337.424 2.265 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(-c2nc(C[C@H](C)[NH2+]C)no2)cc1OC ZINC000261718398 463837443 /nfs/dbraw/zinc/83/74/43/463837443.db2.gz JJOJDSAGKPYZRJ-VIFPVBQESA-N 1 0 336.348 2.203 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287219858 463837710 /nfs/dbraw/zinc/83/77/10/463837710.db2.gz QEEFFRZLPKSLPM-RYUDHWBXSA-N 1 0 335.408 2.140 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000269212621 463911181 /nfs/dbraw/zinc/91/11/81/463911181.db2.gz OHWYCVUTUIUYIS-CJNGLKHVSA-N 1 0 346.431 2.394 20 5 EEBDRO C[NH2+]CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000262013542 463926279 /nfs/dbraw/zinc/92/62/79/463926279.db2.gz VALSETZLKTWQCL-UHFFFAOYSA-N 1 0 345.403 2.466 20 5 EEBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000269591143 464028812 /nfs/dbraw/zinc/02/88/12/464028812.db2.gz CADKWTXUUKMBJN-GFCCVEGCSA-N 1 0 343.387 2.273 20 5 EEBDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000269637218 464041680 /nfs/dbraw/zinc/04/16/80/464041680.db2.gz GKAWSGSPIXPGIK-UHFFFAOYSA-N 1 0 338.408 2.085 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000262773141 464045137 /nfs/dbraw/zinc/04/51/37/464045137.db2.gz BKQPFQGSHVWNDH-LSDHHAIUSA-N 1 0 349.434 2.411 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000179097536 464056567 /nfs/dbraw/zinc/05/65/67/464056567.db2.gz YLDAMVWZFDIUAS-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCOC[C@@H]1C ZINC000591019871 468394727 /nfs/dbraw/zinc/39/47/27/468394727.db2.gz KTOXMEXIFVCZHQ-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1ccc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000269964007 464142029 /nfs/dbraw/zinc/14/20/29/464142029.db2.gz VWSNIHPNYJIVTG-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)o1 ZINC000263667923 464146329 /nfs/dbraw/zinc/14/63/29/464146329.db2.gz FUGGOXAWHWMMID-LLVKDONJSA-N 1 0 332.364 2.117 20 5 EEBDRO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000237589150 464345090 /nfs/dbraw/zinc/34/50/90/464345090.db2.gz CBWGTASPFHVOIV-JTQLQIEISA-N 1 0 332.385 2.152 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281279506 464397597 /nfs/dbraw/zinc/39/75/97/464397597.db2.gz XBNUPEXESKWQLR-LBPRGKRZSA-N 1 0 345.403 2.412 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238033941 464422412 /nfs/dbraw/zinc/42/24/12/464422412.db2.gz PPRJGXMZFUINOA-WMLDXEAASA-N 1 0 349.434 2.398 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000294357179 464476453 /nfs/dbraw/zinc/47/64/53/464476453.db2.gz BMZMGXSHAVPTGR-CYBMUJFWSA-N 1 0 345.399 2.158 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351426 464481992 /nfs/dbraw/zinc/48/19/92/464481992.db2.gz KFKXMGYCMANPFN-HUUCEWRRSA-N 1 0 330.388 2.244 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](COCCOC)C1 ZINC000175277476 464517731 /nfs/dbraw/zinc/51/77/31/464517731.db2.gz ONBJTDHRMUWZNI-AWEZNQCLSA-N 1 0 338.404 2.478 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000272246197 464534174 /nfs/dbraw/zinc/53/41/74/464534174.db2.gz LFRRKQWOCZUMSQ-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272291557 464550441 /nfs/dbraw/zinc/55/04/41/464550441.db2.gz FPXGNYYFXZWFJR-NSHDSACASA-N 1 0 349.416 2.156 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@H+](C)C1 ZINC000182168692 464588500 /nfs/dbraw/zinc/58/85/00/464588500.db2.gz QQUHVCDFAZZTFY-LLVKDONJSA-N 1 0 343.330 2.362 20 5 EEBDRO COc1cc(C(=O)N(C)CCCn2ccnc2)c([N+](=O)[O-])cc1F ZINC000294793424 464606087 /nfs/dbraw/zinc/60/60/87/464606087.db2.gz AUVAXIJUSKPCOI-UHFFFAOYSA-N 1 0 336.323 2.101 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000294890232 464639122 /nfs/dbraw/zinc/63/91/22/464639122.db2.gz QTHXGRILCYZZTC-CRAIPNDOSA-N 1 0 347.459 2.352 20 5 EEBDRO COc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285709335 464666690 /nfs/dbraw/zinc/66/66/90/464666690.db2.gz HWCBGFAVEPYLEB-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176196690 464717813 /nfs/dbraw/zinc/71/78/13/464717813.db2.gz HAMIXZYCQXHEOX-ZDUSSCGKSA-N 1 0 341.375 2.065 20 5 EEBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000285873233 464726948 /nfs/dbraw/zinc/72/69/48/464726948.db2.gz VZWBOFASJFGGHG-UHFFFAOYSA-N 1 0 335.408 2.091 20 5 EEBDRO CCCCO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295276889 464771622 /nfs/dbraw/zinc/77/16/22/464771622.db2.gz KBYDVCAMZITYGS-CABCVRRESA-N 1 0 337.420 2.330 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)CO ZINC000295349719 464799579 /nfs/dbraw/zinc/79/95/79/464799579.db2.gz YLVLCVQWDLLRRY-UHFFFAOYSA-N 1 0 327.356 2.013 20 5 EEBDRO C[S@@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000282508221 464845394 /nfs/dbraw/zinc/84/53/94/464845394.db2.gz XFIVWQHYZMHSAF-JOCHJYFZSA-N 1 0 334.344 2.197 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282540608 464856896 /nfs/dbraw/zinc/85/68/96/464856896.db2.gz VZYPEBSNGIYVRV-CYBMUJFWSA-N 1 0 345.321 2.232 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000282548462 464861608 /nfs/dbraw/zinc/86/16/08/464861608.db2.gz SELHSHVBFAPKRS-OAHLLOKOSA-N 1 0 337.395 2.278 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249743514 464911641 /nfs/dbraw/zinc/91/16/41/464911641.db2.gz LCOUMBLYSXFQRQ-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CNC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286461712 464926050 /nfs/dbraw/zinc/92/60/50/464926050.db2.gz VADXQWZCQCWJFT-GXTWGEPZSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128776 464938140 /nfs/dbraw/zinc/93/81/40/464938140.db2.gz UMRKFYMETWLOFH-ONGXEEELSA-N 1 0 348.359 2.166 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184270855 464959006 /nfs/dbraw/zinc/95/90/06/464959006.db2.gz FBZIDWAIJIUWPO-LBPRGKRZSA-N 1 0 339.367 2.043 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559352 464960220 /nfs/dbraw/zinc/96/02/20/464960220.db2.gz TUGZQNNHUDZCAX-HOCLYGCPSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286612086 464977187 /nfs/dbraw/zinc/97/71/87/464977187.db2.gz UIGBOCWWKNIQNW-CZUORRHYSA-N 1 0 332.404 2.363 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000593906526 468428620 /nfs/dbraw/zinc/42/86/20/468428620.db2.gz NVQYXTIKVPKHTQ-LBPRGKRZSA-N 1 0 345.403 2.005 20 5 EEBDRO CCN(CCO)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000184546941 464995054 /nfs/dbraw/zinc/99/50/54/464995054.db2.gz ZTLIOBKJIGUTKK-UHFFFAOYSA-N 1 0 333.388 2.259 20 5 EEBDRO Cc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184610871 465008250 /nfs/dbraw/zinc/00/82/50/465008250.db2.gz AMEFXWNFOBVYHN-AWEZNQCLSA-N 1 0 349.435 2.051 20 5 EEBDRO COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864209 465404744 /nfs/dbraw/zinc/40/47/44/465404744.db2.gz WSIVUOJXFPBPSK-UWVGGRQHSA-N 1 0 345.346 2.374 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352816668 465559136 /nfs/dbraw/zinc/55/91/36/465559136.db2.gz PVDBQKCYYGTBAT-OUJBWJOFSA-N 1 0 339.417 2.272 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000299236337 465659952 /nfs/dbraw/zinc/65/99/52/465659952.db2.gz HEVFPKVBUFBUIW-VXGBXAGGSA-N 1 0 345.403 2.321 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330606215 465727894 /nfs/dbraw/zinc/72/78/94/465727894.db2.gz ZTQYBSDSVHMJGL-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO CNc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179104 465818957 /nfs/dbraw/zinc/81/89/57/465818957.db2.gz OVBJKPHKOLXNSS-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591360537 468459643 /nfs/dbraw/zinc/45/96/43/468459643.db2.gz GGYQSZYBOLVTCI-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353518755 465948317 /nfs/dbraw/zinc/94/83/17/465948317.db2.gz LRKJMFSRPSTTDR-KRWDZBQOSA-N 1 0 343.431 2.349 20 5 EEBDRO CC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](CC)CC ZINC000346232134 466013046 /nfs/dbraw/zinc/01/30/46/466013046.db2.gz YSMQITLPOUGBDY-HIFRSBDPSA-N 1 0 349.435 2.123 20 5 EEBDRO CN1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000366967797 466044834 /nfs/dbraw/zinc/04/48/34/466044834.db2.gz ARSTYLRFNNRWJG-CQSZACIVSA-N 1 0 326.356 2.094 20 5 EEBDRO C[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451369 466089291 /nfs/dbraw/zinc/08/92/91/466089291.db2.gz ZEHDOOYXWHVFJN-OHUAYANFSA-N 1 0 335.379 2.436 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)o1 ZINC000353715923 466091388 /nfs/dbraw/zinc/09/13/88/466091388.db2.gz XRWZKKNGBUIYDJ-JSGCOSHPSA-N 1 0 332.356 2.484 20 5 EEBDRO COCC1(C)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331708965 466210408 /nfs/dbraw/zinc/21/04/08/466210408.db2.gz ZFIUORVVECBNDK-INIZCTEOSA-N 1 0 347.415 2.449 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000591530377 468479983 /nfs/dbraw/zinc/47/99/83/468479983.db2.gz NZYHHPMCTNJHLS-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO Cc1cccc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000338666229 466302911 /nfs/dbraw/zinc/30/29/11/466302911.db2.gz PQKUYONDPAQRTH-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(=O)N1CCC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332040801 466357695 /nfs/dbraw/zinc/35/76/95/466357695.db2.gz KTCLHGSHZKCMKT-HOTGVXAUSA-N 1 0 349.435 2.123 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591581760 468486842 /nfs/dbraw/zinc/48/68/42/468486842.db2.gz QZKRXRZFMYSDHF-HZPDHXFCSA-N 1 0 341.415 2.149 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332056374 466365045 /nfs/dbraw/zinc/36/50/45/466365045.db2.gz OSKJFJSMLWMXSI-CZUORRHYSA-N 1 0 332.404 2.139 20 5 EEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357992397 466371146 /nfs/dbraw/zinc/37/11/46/466371146.db2.gz VAHWPCOLLAQPSM-STQMWFEESA-N 1 0 334.420 2.316 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000340843791 466378560 /nfs/dbraw/zinc/37/85/60/466378560.db2.gz BVQOHJXWEKKWLZ-UHFFFAOYSA-N 1 0 329.404 2.440 20 5 EEBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332222269 466454764 /nfs/dbraw/zinc/45/47/64/466454764.db2.gz YPGQODQWXMZKIW-KBRIMQKVSA-N 1 0 347.415 2.351 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000347186451 466460963 /nfs/dbraw/zinc/46/09/63/466460963.db2.gz BWASXHXHXSDRFW-OCCSQVGLSA-N 1 0 349.387 2.115 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600202186 468493757 /nfs/dbraw/zinc/49/37/57/468493757.db2.gz BBMKRVLBXXWANE-ATNRAGQQSA-N 1 0 334.416 2.311 20 5 EEBDRO C[NH+](C)CC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000332300097 466496862 /nfs/dbraw/zinc/49/68/62/466496862.db2.gz VDCSYDFFCYMWQB-UHFFFAOYSA-N 1 0 345.403 2.922 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313391686 466541676 /nfs/dbraw/zinc/54/16/76/466541676.db2.gz VHYSNSKTIOWADK-QGZVFWFLSA-N 1 0 325.368 2.310 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000350711631 466584888 /nfs/dbraw/zinc/58/48/88/466584888.db2.gz FGLMOPVJLNOWNN-UHFFFAOYSA-N 1 0 343.387 2.065 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000362190955 466612366 /nfs/dbraw/zinc/61/23/66/466612366.db2.gz OHSSPUPYVQOBIL-JTQLQIEISA-N 1 0 334.319 2.311 20 5 EEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000374613451 466692118 /nfs/dbraw/zinc/69/21/18/466692118.db2.gz RXTNIKXEJONDFW-OAGGEKHMSA-N 1 0 331.416 2.069 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423282048 466709174 /nfs/dbraw/zinc/70/91/74/466709174.db2.gz WHNFUJWRQCQINU-PBHICJAKSA-N 1 0 343.431 2.397 20 5 EEBDRO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201279 466743400 /nfs/dbraw/zinc/74/34/00/466743400.db2.gz JNXYUIQZISHDNQ-WBVHZDCISA-N 1 0 349.431 2.025 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000423581934 466779113 /nfs/dbraw/zinc/77/91/13/466779113.db2.gz ZPPMCENIVLZZDQ-BYCMXARLSA-N 1 0 340.383 2.342 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423725196 466814747 /nfs/dbraw/zinc/81/47/47/466814747.db2.gz NPFJAYKLNRNPJF-DGCLKSJQSA-N 1 0 331.376 2.707 20 5 EEBDRO COc1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000424069841 466971191 /nfs/dbraw/zinc/97/11/91/466971191.db2.gz CMJBDTZAXBMFQH-CQSZACIVSA-N 1 0 341.367 2.442 20 5 EEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412088439 467003165 /nfs/dbraw/zinc/00/31/65/467003165.db2.gz PLEMMTLTMHCIFJ-DGCLKSJQSA-N 1 0 332.360 2.238 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000374136387 467007995 /nfs/dbraw/zinc/00/79/95/467007995.db2.gz KTNCRGZBQNQNLL-SFHVURJKSA-N 1 0 344.367 2.234 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000377661276 467109498 /nfs/dbraw/zinc/10/94/98/467109498.db2.gz DVFAGHNEGAPITG-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c2cccnc21 ZINC000413054022 467161802 /nfs/dbraw/zinc/16/18/02/467161802.db2.gz MCWIGELWNVVJON-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413174920 467183761 /nfs/dbraw/zinc/18/37/61/467183761.db2.gz UEKUBRPCWTZCLF-YVSFHVDLSA-N 1 0 329.400 2.441 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427960992 467188990 /nfs/dbraw/zinc/18/89/90/467188990.db2.gz BSEQDWVJILXWPB-HNNXBMFYSA-N 1 0 333.388 2.190 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000450921737 467206512 /nfs/dbraw/zinc/20/65/12/467206512.db2.gz JWYHWVPFDWCOGC-UHFFFAOYSA-N 1 0 341.843 2.471 20 5 EEBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419819608 467255233 /nfs/dbraw/zinc/25/52/33/467255233.db2.gz MGBOCLHRZZUKOL-HZPDHXFCSA-N 1 0 334.372 2.466 20 5 EEBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000428896000 467279059 /nfs/dbraw/zinc/27/90/59/467279059.db2.gz RPIDNAHHVIUWGS-AWEZNQCLSA-N 1 0 330.388 2.487 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429166400 467308090 /nfs/dbraw/zinc/30/80/90/467308090.db2.gz IOAPZXFZNCGVNZ-JTQLQIEISA-N 1 0 330.182 2.070 20 5 EEBDRO C[NH+](C)Cc1ccccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000433374906 467325513 /nfs/dbraw/zinc/32/55/13/467325513.db2.gz NRPSJEXVAZMLCP-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452123124 467332081 /nfs/dbraw/zinc/33/20/81/467332081.db2.gz IEEJCNCLEIKIFR-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452123123 467332418 /nfs/dbraw/zinc/33/24/18/467332418.db2.gz IEEJCNCLEIKIFR-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420264993 467332545 /nfs/dbraw/zinc/33/25/45/467332545.db2.gz DIGBCAJZGZORJK-ZIAGYGMSSA-N 1 0 343.387 2.471 20 5 EEBDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429579316 467349303 /nfs/dbraw/zinc/34/93/03/467349303.db2.gz LLSGKMKBHLTPLJ-MNOVXSKESA-N 1 0 335.360 2.382 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000434236923 467384425 /nfs/dbraw/zinc/38/44/25/467384425.db2.gz WUIQWRQQBDXZMU-LBPRGKRZSA-N 1 0 337.424 2.245 20 5 EEBDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185240 467387324 /nfs/dbraw/zinc/38/73/24/467387324.db2.gz OIAOHLMXMKXRHO-UVBJJODRSA-N 1 0 333.388 2.103 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000420461345 467414966 /nfs/dbraw/zinc/41/49/66/467414966.db2.gz GJGNRHXFEQROAH-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO CC[NH+]1CCC(N2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)CC1 ZINC000420625044 467436389 /nfs/dbraw/zinc/43/63/89/467436389.db2.gz KBLIRNLPSJPVJI-UHFFFAOYSA-N 1 0 347.463 2.295 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414948913 467457631 /nfs/dbraw/zinc/45/76/31/467457631.db2.gz MVSNRTCMRMEPCJ-CQSZACIVSA-N 1 0 344.318 2.399 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405351796 467480679 /nfs/dbraw/zinc/48/06/79/467480679.db2.gz OPTUBURCHNYOQF-BXUZGUMPSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415293150 467536883 /nfs/dbraw/zinc/53/68/83/467536883.db2.gz IIFPMYSYCUWFNL-NEPJUHHUSA-N 1 0 336.392 2.446 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000449225834 467624391 /nfs/dbraw/zinc/62/43/91/467624391.db2.gz PIERYZUPTKLEJG-CHWSQXEVSA-N 1 0 331.372 2.413 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CCCO ZINC000449386970 467635110 /nfs/dbraw/zinc/63/51/10/467635110.db2.gz KEZNQKDLPYWSMX-WBVHZDCISA-N 1 0 335.448 2.352 20 5 EEBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455156062 467639586 /nfs/dbraw/zinc/63/95/86/467639586.db2.gz LIFAWVSZJUILTL-UHFFFAOYSA-N 1 0 349.435 2.226 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000457511424 467640009 /nfs/dbraw/zinc/64/00/09/467640009.db2.gz BRPDKJRREIUWHI-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450394868 467842036 /nfs/dbraw/zinc/84/20/36/467842036.db2.gz YMVJAZHQEBYRBT-ZDUSSCGKSA-N 1 0 330.388 2.300 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000458476972 467842515 /nfs/dbraw/zinc/84/25/15/467842515.db2.gz OMXOALGTCOBQQA-AWEZNQCLSA-N 1 0 346.431 2.263 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000450872373 467923581 /nfs/dbraw/zinc/92/35/81/467923581.db2.gz CBBHREHTXMPZRD-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000514707073 467949262 /nfs/dbraw/zinc/94/92/62/467949262.db2.gz WNPXESNQMOELPG-QMTHXVAHSA-N 1 0 326.418 2.340 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000515651845 468000785 /nfs/dbraw/zinc/00/07/85/468000785.db2.gz WTYFBBXLFSQXHJ-DZGCQCFKSA-N 1 0 346.431 2.068 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000519013810 468136167 /nfs/dbraw/zinc/13/61/67/468136167.db2.gz FMMZDVHAWZWLRZ-UHFFFAOYSA-N 1 0 334.420 2.250 20 5 EEBDRO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000548956022 468162069 /nfs/dbraw/zinc/16/20/69/468162069.db2.gz TZNHOKYGWAPVHZ-AWEZNQCLSA-N 1 0 343.387 2.055 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000567674318 468180276 /nfs/dbraw/zinc/18/02/76/468180276.db2.gz ILQSRNVABBJUDM-XQQFMLRXSA-N 1 0 335.404 2.439 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000490639770 468229767 /nfs/dbraw/zinc/22/97/67/468229767.db2.gz NTXFJQIVIMOVRY-JTGQJZMRSA-N 1 0 347.415 2.081 20 5 EEBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218926 468234303 /nfs/dbraw/zinc/23/43/03/468234303.db2.gz IJFRWBRHZDFULO-HIFRSBDPSA-N 1 0 348.403 2.357 20 5 EEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591757445 468515056 /nfs/dbraw/zinc/51/50/56/468515056.db2.gz CMXYQLQOGZVRGW-OAHLLOKOSA-N 1 0 345.399 2.297 20 5 EEBDRO CC(C)(NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000597440930 468556463 /nfs/dbraw/zinc/55/64/63/468556463.db2.gz PMWMICKVPKGWOM-AWEZNQCLSA-N 1 0 332.404 2.271 20 5 EEBDRO [NH3+]C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600729073 468638450 /nfs/dbraw/zinc/63/84/50/468638450.db2.gz WORKWQHANTYVFS-NEPJUHHUSA-N 1 0 347.337 2.433 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592245252 468663326 /nfs/dbraw/zinc/66/33/26/468663326.db2.gz ZCMJAHCPVAYASF-SKDRFNHKSA-N 1 0 343.305 2.438 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592245249 468663884 /nfs/dbraw/zinc/66/38/84/468663884.db2.gz ZCMJAHCPVAYASF-CABZTGNLSA-N 1 0 343.305 2.438 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000558603123 468692210 /nfs/dbraw/zinc/69/22/10/468692210.db2.gz ZSECFIWWNQEDCW-CYBMUJFWSA-N 1 0 338.408 2.002 20 5 EEBDRO Cc1c(Br)c(N2CC[NH2+]C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000600947554 468693312 /nfs/dbraw/zinc/69/33/12/468693312.db2.gz MKTHEAVCEDXNFO-JTQLQIEISA-N 1 0 343.225 2.495 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592543531 468727090 /nfs/dbraw/zinc/72/70/90/468727090.db2.gz FRJRTFWVEUUXHR-ZYHUDNBSSA-N 1 0 341.795 2.274 20 5 EEBDRO C[NH+](C)[C@]1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000601126248 468753502 /nfs/dbraw/zinc/75/35/02/468753502.db2.gz VQBHNWRGLSXYAL-INIZCTEOSA-N 1 0 332.429 2.414 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601145162 468760229 /nfs/dbraw/zinc/76/02/29/468760229.db2.gz RAOYNYBVOXDDLJ-LBPRGKRZSA-N 1 0 329.282 2.388 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000583992240 468783357 /nfs/dbraw/zinc/78/33/57/468783357.db2.gz ZLOZOLWKTFYPRB-HOTGVXAUSA-N 1 0 343.383 2.219 20 5 EEBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000584111142 468802270 /nfs/dbraw/zinc/80/22/70/468802270.db2.gz NUFKHOJBOBYTKS-CXAGYDPISA-N 1 0 343.383 2.426 20 5 EEBDRO COc1c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598259972 468809318 /nfs/dbraw/zinc/80/93/18/468809318.db2.gz HQAAFOFOFLLQHV-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261045 468809955 /nfs/dbraw/zinc/80/99/55/468809955.db2.gz CYSNDNFBZOSDGU-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601310197 468821308 /nfs/dbraw/zinc/82/13/08/468821308.db2.gz NIHFIPXLSIHBGA-CYBMUJFWSA-N 1 0 341.433 2.061 20 5 EEBDRO C[C@@H](CO)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000593085304 468864841 /nfs/dbraw/zinc/86/48/41/468864841.db2.gz UHNGOOGLPGXOCV-LBPRGKRZSA-N 1 0 336.388 2.302 20 5 EEBDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000561228266 468878435 /nfs/dbraw/zinc/87/84/35/468878435.db2.gz OOAQVVKPFYVJDR-NDGTYSDOSA-N 1 0 348.378 2.205 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595535647 468891473 /nfs/dbraw/zinc/89/14/73/468891473.db2.gz ISCSOPVQRUVHEL-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598557137 468911668 /nfs/dbraw/zinc/91/16/68/468911668.db2.gz BEBIUWIEQMGQDX-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO Nc1c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598558817 468912292 /nfs/dbraw/zinc/91/22/92/468912292.db2.gz DOCZSCIXEGDZEX-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598560490 468913239 /nfs/dbraw/zinc/91/32/39/468913239.db2.gz MYSIZYGRULUMJS-CYBMUJFWSA-N 1 0 333.388 2.152 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562038 468914281 /nfs/dbraw/zinc/91/42/81/468914281.db2.gz RZVLGBGATYNAOS-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO CC1(C)CC[C@H](CO)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000598650457 468946403 /nfs/dbraw/zinc/94/64/03/468946403.db2.gz YHTREVHCKXFHNN-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598675989 468955078 /nfs/dbraw/zinc/95/50/78/468955078.db2.gz CBIMVFPHHSHXFC-BBRMVZONSA-N 1 0 344.415 2.446 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598716862 468972380 /nfs/dbraw/zinc/97/23/80/468972380.db2.gz UFNNSYYMTJCZLX-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602668795 468998792 /nfs/dbraw/zinc/99/87/92/468998792.db2.gz WWEOBKAXTIDPCX-IAGOWNOFSA-N 1 0 334.416 2.437 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CCCC3)CC2)cn1 ZINC000602676971 469004425 /nfs/dbraw/zinc/00/44/25/469004425.db2.gz OONHXWFHURTUMW-MRXNPFEDSA-N 1 0 334.420 2.099 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000585706846 469017926 /nfs/dbraw/zinc/01/79/26/469017926.db2.gz SDVKSMATUQQUJZ-GFCCVEGCSA-N 1 0 347.419 2.072 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[C@@H](O)C3)o2)cc1 ZINC000599009417 469087421 /nfs/dbraw/zinc/08/74/21/469087421.db2.gz KRXLPQPOXPOXIB-OAHLLOKOSA-N 1 0 331.372 2.011 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084525 469156403 /nfs/dbraw/zinc/15/64/03/469156403.db2.gz CIBWXBDJSWACOW-CYBMUJFWSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000602919364 469165546 /nfs/dbraw/zinc/16/55/46/469165546.db2.gz ZKFXPIISBZCJRI-UHFFFAOYSA-N 1 0 344.419 2.246 20 5 EEBDRO CC(C)OCC[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589114116 469197553 /nfs/dbraw/zinc/19/75/53/469197553.db2.gz WQXSWTLLDYGLCW-UHFFFAOYSA-N 1 0 342.827 2.366 20 5 EEBDRO O=c1[nH]ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596222056 469211765 /nfs/dbraw/zinc/21/17/65/469211765.db2.gz JDJHHUMBGWRWOA-GASCZTMLSA-N 1 0 340.383 2.264 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCCC1)OCCO2 ZINC000611265595 469212876 /nfs/dbraw/zinc/21/28/76/469212876.db2.gz ZJZQINCQCNYZLN-HNNXBMFYSA-N 1 0 347.415 2.426 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596306786 469239379 /nfs/dbraw/zinc/23/93/79/469239379.db2.gz IAKCAFRXXISYOR-LBPRGKRZSA-N 1 0 329.404 3.070 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602494733 469340071 /nfs/dbraw/zinc/34/00/71/469340071.db2.gz JAENKQFGHXDOOA-MRVPVSSYSA-N 1 0 330.182 2.215 20 5 EEBDRO C[C@H](CN1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602508483 469343567 /nfs/dbraw/zinc/34/35/67/469343567.db2.gz NAMCZOCLVUVYBJ-OAHLLOKOSA-N 1 0 347.463 2.423 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602528161 469350870 /nfs/dbraw/zinc/35/08/70/469350870.db2.gz NIYCSPYZGZLWFL-UHFFFAOYSA-N 1 0 343.383 2.166 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602541512 469354815 /nfs/dbraw/zinc/35/48/15/469354815.db2.gz PWQWTMMIAJHEFU-JOYOIKCWSA-N 1 0 349.284 2.333 20 5 EEBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000618872510 469459663 /nfs/dbraw/zinc/45/96/63/469459663.db2.gz BXQFIFVSPDDOQL-SNVBAGLBSA-N 1 0 331.294 2.182 20 5 EEBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CNc3ccnn3C2)C2CC2)c1 ZINC000619264730 469564257 /nfs/dbraw/zinc/56/42/57/469564257.db2.gz KNZOSEWOTSUICD-CQSZACIVSA-N 1 0 327.388 2.498 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000619535747 469633631 /nfs/dbraw/zinc/63/36/31/469633631.db2.gz CYBJNTHKNXPYPM-ZDUSSCGKSA-N 1 0 335.404 2.129 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000609628148 469951221 /nfs/dbraw/zinc/95/12/21/469951221.db2.gz QYYANVQKBRPOKB-HNNXBMFYSA-N 1 0 342.399 2.328 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000609849090 469966156 /nfs/dbraw/zinc/96/61/56/469966156.db2.gz YWYAFLFGJLWEBS-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000602457115 485639931 /nfs/dbraw/zinc/63/99/31/485639931.db2.gz FUBYYCSOVZGREU-HNNXBMFYSA-N 1 0 341.367 2.063 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000449785923 485721033 /nfs/dbraw/zinc/72/10/33/485721033.db2.gz JXRAWYWFKINHRE-OAHLLOKOSA-N 1 0 335.404 2.376 20 5 EEBDRO Cc1ccc(CC(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000419341931 518188665 /nfs/dbraw/zinc/18/86/65/518188665.db2.gz ZXRHEPALYWNTDB-MRXNPFEDSA-N 1 0 332.404 2.072 20 5 EEBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153908042 527514358 /nfs/dbraw/zinc/51/43/58/527514358.db2.gz IITYAHFETIHHPF-PBHICJAKSA-N 1 0 349.431 2.112 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411430990 527972249 /nfs/dbraw/zinc/97/22/49/527972249.db2.gz UEJUTJIHPKYGGN-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000178765294 528268363 /nfs/dbraw/zinc/26/83/63/528268363.db2.gz IYLBUSJBVQBYCZ-CQSZACIVSA-N 1 0 346.431 2.313 20 5 EEBDRO CCS[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159815951 529206719 /nfs/dbraw/zinc/20/67/19/529206719.db2.gz KQYZGMACFVSIHK-CQSZACIVSA-N 1 0 325.434 2.364 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446037335 535691551 /nfs/dbraw/zinc/69/15/51/535691551.db2.gz YXPKABNRZPRXMP-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237296798 536464292 /nfs/dbraw/zinc/46/42/92/536464292.db2.gz PXONREQWAYKBBR-LLVKDONJSA-N 1 0 325.796 2.249 20 5 EEBDRO CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000772576272 577283305 /nfs/dbraw/zinc/28/33/05/577283305.db2.gz DLCVPBQBWUPPGU-QWHCGFSZSA-N 1 0 347.444 2.259 20 5 EEBDRO COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581697 577463113 /nfs/dbraw/zinc/46/31/13/577463113.db2.gz HRICODFSXJRFKT-ROUUACIJSA-N 1 0 346.383 2.302 20 5 EEBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580954 577463171 /nfs/dbraw/zinc/46/31/71/577463171.db2.gz APIUVJZKNZAGGD-YOEHRIQHSA-N 1 0 349.431 2.257 20 5 EEBDRO CCC[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766432685 577519300 /nfs/dbraw/zinc/51/93/00/577519300.db2.gz UYKLKRPKXOSUDY-AWEZNQCLSA-N 1 0 347.419 2.180 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000764364443 577734932 /nfs/dbraw/zinc/73/49/32/577734932.db2.gz YPKYVFRAHQSLDU-CQSZACIVSA-N 1 0 345.403 2.097 20 5 EEBDRO [NH2+]=C(NOCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000764578536 577739231 /nfs/dbraw/zinc/73/92/31/577739231.db2.gz OXTGQIMZLIKYFI-OAHLLOKOSA-N 1 0 329.312 2.433 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000753028659 577780421 /nfs/dbraw/zinc/78/04/21/577780421.db2.gz KQAOWPHYYPQJQH-NSHDSACASA-N 1 0 340.399 2.258 20 5 EEBDRO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341978 577804777 /nfs/dbraw/zinc/80/47/77/577804777.db2.gz OSJNEWAQEGFJSM-HJPURHCSSA-N 1 0 334.397 2.155 20 5 EEBDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000754540262 577808313 /nfs/dbraw/zinc/80/83/13/577808313.db2.gz OQDVIBUGMDQLPT-OAHLLOKOSA-N 1 0 349.387 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000749802570 577982165 /nfs/dbraw/zinc/98/21/65/577982165.db2.gz YFGMHXXSBCCKAJ-LSDHHAIUSA-N 1 0 343.387 2.169 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000826499806 607978056 /nfs/dbraw/zinc/97/80/56/607978056.db2.gz YHYQDBDFAKQTLG-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC001020507673 674965597 /nfs/dbraw/zinc/96/55/97/674965597.db2.gz ZXZWCWZLERRKLV-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CCc1nocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020555920 675111762 /nfs/dbraw/zinc/11/17/62/675111762.db2.gz VISJAWHRALLGCU-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ncccc1F ZINC001020815223 675511858 /nfs/dbraw/zinc/51/18/58/675511858.db2.gz VFKHQZLHWNKVQK-JOCQHMNTSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC(F)(F)C1 ZINC001021947981 676556039 /nfs/dbraw/zinc/55/60/39/676556039.db2.gz FMNSMYJGVWSNMJ-BETUJISGSA-N 1 0 339.342 2.377 20 5 EEBDRO CC[NH+]1CCC(NC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000891547738 676693394 /nfs/dbraw/zinc/69/33/94/676693394.db2.gz JOQWVRQAAYFBSJ-ZDUSSCGKSA-N 1 0 334.420 2.482 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000308683052 676865567 /nfs/dbraw/zinc/86/55/67/676865567.db2.gz QNZVQNLFXYDHEC-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO CC(C)CN(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043481 677767700 /nfs/dbraw/zinc/76/77/00/677767700.db2.gz KBZSHXVJNKZNOD-UHFFFAOYSA-N 1 0 349.435 2.466 20 5 EEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000841160664 681249579 /nfs/dbraw/zinc/24/95/79/681249579.db2.gz DHJZCGOHEPACNU-UHFFFAOYSA-N 1 0 343.181 2.185 20 5 EEBDRO C[C@]1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892780274 683035160 /nfs/dbraw/zinc/03/51/60/683035160.db2.gz RHVGQQMIUYJTKW-HNNXBMFYSA-N 1 0 339.342 2.287 20 5 EEBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931595952 693752824 /nfs/dbraw/zinc/75/28/24/693752824.db2.gz FFUBOCDYEZVFNU-ZDUSSCGKSA-N 1 0 325.434 2.220 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC2(CC2)CC1 ZINC001029304610 683939884 /nfs/dbraw/zinc/93/98/84/683939884.db2.gz BJKGMAOPTNVMMT-YYIAUSFCSA-N 1 0 347.459 2.297 20 5 EEBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000027754480 684177701 /nfs/dbraw/zinc/17/77/01/684177701.db2.gz GCDDMXKESNVCAQ-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000895566171 684647941 /nfs/dbraw/zinc/64/79/41/684647941.db2.gz CBPYCDJZKZGUAR-ZIAGYGMSSA-N 1 0 349.431 2.441 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC001059413439 684917667 /nfs/dbraw/zinc/91/76/67/684917667.db2.gz GXASMGKNGUXHCV-HDJSIYSDSA-N 1 0 346.431 2.386 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000893452516 687662883 /nfs/dbraw/zinc/66/28/83/687662883.db2.gz LRHIMMDRORDPOJ-AEGPPILISA-N 1 0 332.404 2.167 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010849 691181174 /nfs/dbraw/zinc/18/11/74/691181174.db2.gz JHMDDOAAOHYWAU-LDYMZIIASA-N 1 0 342.783 2.483 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000897571356 691626754 /nfs/dbraw/zinc/62/67/54/691626754.db2.gz ONHQEVFOXJQLJO-AWEZNQCLSA-N 1 0 349.431 2.442 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000990075460 692637980 /nfs/dbraw/zinc/63/79/80/692637980.db2.gz JRTNXYPVZNOBFJ-UHFFFAOYSA-N 1 0 349.416 2.082 20 5 EEBDRO CC(C)(C)C(=O)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990326039 692825038 /nfs/dbraw/zinc/82/50/38/692825038.db2.gz LDQRSXHARJFLSI-UHFFFAOYSA-N 1 0 347.415 2.291 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001105532178 1188152171 /nfs/dbraw/zinc/15/21/71/1188152171.db2.gz SDBWOFCQFABHHN-UHFFFAOYSA-N 1 0 348.447 2.140 20 5 EEBDRO C[N@H+](Cc1cn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C ZINC000905812601 1189919904 /nfs/dbraw/zinc/91/99/04/1189919904.db2.gz IIUVTUPWVGRMFN-HNNXBMFYSA-N 1 0 333.392 2.150 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905807608 1189924040 /nfs/dbraw/zinc/92/40/40/1189924040.db2.gz OMRWQBFCWYAMER-UHFFFAOYSA-N 1 0 333.392 2.474 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cocn1 ZINC001034605791 1196418805 /nfs/dbraw/zinc/41/88/05/1196418805.db2.gz OCASNMJKDJWWDX-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825692887 1198693116 /nfs/dbraw/zinc/69/31/16/1198693116.db2.gz KJSMKKGAHHUUCS-AWEZNQCLSA-N 1 0 335.404 2.231 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C2)C1 ZINC000813634358 1199120482 /nfs/dbraw/zinc/12/04/82/1199120482.db2.gz JVLBHYPHEAOXDG-SFHVURJKSA-N 1 0 344.415 2.019 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000877346113 1199909641 /nfs/dbraw/zinc/90/96/41/1199909641.db2.gz GMIWLUVJBFHRBG-OAHLLOKOSA-N 1 0 341.367 2.048 20 5 EEBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000866254922 1201476726 /nfs/dbraw/zinc/47/67/26/1201476726.db2.gz CRNRIGPLBQWWCJ-HZMBPMFUSA-N 1 0 333.367 2.169 20 5 EEBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000866254925 1201476755 /nfs/dbraw/zinc/47/67/55/1201476755.db2.gz CRNRIGPLBQWWCJ-YGRLFVJLSA-N 1 0 333.367 2.169 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCS(=O)(=O)CC1 ZINC000866309397 1201489737 /nfs/dbraw/zinc/48/97/37/1201489737.db2.gz FORFMYOGNGRPHQ-LLVKDONJSA-N 1 0 344.408 2.079 20 5 EEBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000866376825 1201502793 /nfs/dbraw/zinc/50/27/93/1201502793.db2.gz CDKCHYIEWFMHSI-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881468679 1201704840 /nfs/dbraw/zinc/70/48/40/1201704840.db2.gz CWIFIWAJEUYIAG-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000884350948 1202299303 /nfs/dbraw/zinc/29/93/03/1202299303.db2.gz GGHKQMIDNOSFJJ-QWRGUYRKSA-N 1 0 331.294 2.469 20 5 EEBDRO C[C@@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228297 1206085264 /nfs/dbraw/zinc/08/52/64/1206085264.db2.gz XXNCZNQREIZQBV-CYBMUJFWSA-N 1 0 332.404 2.393 20 5 EEBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000933863424 1207855584 /nfs/dbraw/zinc/85/55/84/1207855584.db2.gz YDILFMDCAWVGAV-UHFFFAOYSA-N 1 0 344.209 2.315 20 5 EEBDRO Cc1ccccc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963789802 1218040949 /nfs/dbraw/zinc/04/09/49/1218040949.db2.gz BKRLJPUZJKKZAZ-UOAXPGHYSA-N 1 0 343.427 2.177 20 5 EEBDRO Cc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001020086022 1229477590 /nfs/dbraw/zinc/47/75/90/1229477590.db2.gz HUYIJNCIQBLSOL-SHTZXODSSA-N 1 0 343.383 2.476 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020117390 1229492549 /nfs/dbraw/zinc/49/25/49/1229492549.db2.gz NQEHKGADVURPFG-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048643102 1238172003 /nfs/dbraw/zinc/17/20/03/1238172003.db2.gz FTUAJPJBHPCMEN-BETUJISGSA-N 1 0 339.342 2.140 20 5 EEBDRO COc1cc(CNCCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000903938771 1242595857 /nfs/dbraw/zinc/59/58/57/1242595857.db2.gz JQRDVRNGLJMJSJ-UHFFFAOYSA-N 1 0 347.362 2.464 20 5 EEBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097205488 1243822734 /nfs/dbraw/zinc/82/27/34/1243822734.db2.gz SBFJTFVRBZYCIG-OKILXGFUSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558863 1277267487 /nfs/dbraw/zinc/26/74/87/1277267487.db2.gz UXOYHZIJMIIFIS-DOMZBBRYSA-N 1 0 334.420 2.081 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@H]1[NH3+] ZINC000850722210 1277311895 /nfs/dbraw/zinc/31/18/95/1277311895.db2.gz ONMHBFLRULWMTG-DOMZBBRYSA-N 1 0 332.404 2.004 20 5 EEBDRO CC(C)([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162300 1284949821 /nfs/dbraw/zinc/94/98/21/1284949821.db2.gz SVMRUWCJWUWOIA-UHFFFAOYSA-N 1 0 331.170 2.216 20 5 EEBDRO C[C@]1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000853316379 1292352488 /nfs/dbraw/zinc/35/24/88/1292352488.db2.gz OSWDVMKMSJSQOQ-LBPRGKRZSA-N 1 0 343.181 2.231 20 5 EEBDRO C[C@@H]1C[C@H](Oc2ccc(I)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218048518 1297558188 /nfs/dbraw/zinc/55/81/88/1297558188.db2.gz ZNEGUWACTYPPFB-APPZFPTMSA-N 1 0 348.140 2.329 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218035302 1297552711 /nfs/dbraw/zinc/55/27/11/1297552711.db2.gz JMNVEECVFGSVKF-RDDDGLTNSA-N 1 0 348.140 2.186 20 5 EEBDRO O=c1oc2cc(O)ccc2c2cc(O[C@@H]3CCC[NH2+]C3)c(O)cc12 ZINC001218283521 1297621945 /nfs/dbraw/zinc/62/19/45/1297621945.db2.gz LDOYJWCJZBUPSA-LLVKDONJSA-N 1 0 327.336 2.488 20 5 EEBDRO CN(CC[N@H+](C)CCO)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001220438412 1298409739 /nfs/dbraw/zinc/40/97/39/1298409739.db2.gz SQPVCKBDGKPVMM-UHFFFAOYSA-N 1 0 346.387 2.136 20 5 EEBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226362750 1301378235 /nfs/dbraw/zinc/37/82/35/1301378235.db2.gz ZAJRKXWKBJSYCV-LBPRGKRZSA-N 1 0 338.360 2.252 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094580 1301683983 /nfs/dbraw/zinc/68/39/83/1301683983.db2.gz HWIDJNOERPOSGC-HBYGRHMLSA-N 1 0 344.371 2.353 20 5 EEBDRO CC(=O)c1ccc2c(c1OC(=O)C[C@@H](O)C[N+](C)(C)C)CCCC2 ZINC001233547288 1304506801 /nfs/dbraw/zinc/50/68/01/1304506801.db2.gz QWKJGILIMMJUDJ-OAHLLOKOSA-N 1 0 334.436 2.131 20 5 EEBDRO CC(C)OCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234188211 1304788367 /nfs/dbraw/zinc/78/83/67/1304788367.db2.gz BBRUDKMNIMGQSX-UHFFFAOYSA-N 1 0 337.420 2.348 20 5 EEBDRO C[N@H+](CCCNC(=O)COC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234414155 1304913823 /nfs/dbraw/zinc/91/38/23/1304913823.db2.gz FXSXMIUFQMTIIK-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C[NH+](C)C)C(C)C)c1 ZINC000798326326 1304981195 /nfs/dbraw/zinc/98/11/95/1304981195.db2.gz FPJQEECJPCPPDO-AWEZNQCLSA-N 1 0 337.420 2.375 20 5 EEBDRO CC(=O)Nc1ccc(C(C)=O)c(OC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001234682916 1305006444 /nfs/dbraw/zinc/00/64/44/1305006444.db2.gz YTLFHIPEHSICIQ-UHFFFAOYSA-N 1 0 335.360 2.229 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)O2)n1 ZINC001247842159 1310743157 /nfs/dbraw/zinc/74/31/57/1310743157.db2.gz AFDRHNSSMCFSSU-NSHDSACASA-N 1 0 349.322 2.153 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC[C@@]23CC[NH2+]C3)n1 ZINC001247936479 1310789458 /nfs/dbraw/zinc/78/94/58/1310789458.db2.gz QNNHBGOIZLXSCM-BMIGLBTASA-N 1 0 333.323 2.426 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)nc12 ZINC001248136626 1310843674 /nfs/dbraw/zinc/84/36/74/1310843674.db2.gz AXPRVRSTURVTFW-AWEZNQCLSA-N 1 0 347.378 2.364 20 5 EEBDRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2)CC1 ZINC000839568986 1315216342 /nfs/dbraw/zinc/21/63/42/1315216342.db2.gz PUCYTOGAFJLKQA-BRWVUGGUSA-N 1 0 331.416 2.241 20 5 EEBDRO C[NH2+]CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161488 1315493587 /nfs/dbraw/zinc/49/35/87/1315493587.db2.gz LVFOARIWZGVXGV-UHFFFAOYSA-N 1 0 331.170 2.088 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856832 1315625568 /nfs/dbraw/zinc/62/55/68/1315625568.db2.gz BKLYRLVOMHXXKD-UHFFFAOYSA-N 1 0 326.784 2.190 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842335045 1315687254 /nfs/dbraw/zinc/68/72/54/1315687254.db2.gz IQMBRWIQHYWZLB-DNNBLBMLSA-N 1 0 336.363 2.370 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000842479750 1315713833 /nfs/dbraw/zinc/71/38/33/1315713833.db2.gz XPGCDMGCTGXLKD-WBVHZDCISA-N 1 0 337.395 2.452 20 5 EEBDRO CC(C)[C@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000843154156 1315857274 /nfs/dbraw/zinc/85/72/74/1315857274.db2.gz NQMDEWUOSXMBSJ-ZDUSSCGKSA-N 1 0 347.375 2.137 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843364402 1315901278 /nfs/dbraw/zinc/90/12/78/1315901278.db2.gz HVWOWBLUEURHRH-GARJFASQSA-N 1 0 340.811 2.244 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000843509611 1315926106 /nfs/dbraw/zinc/92/61/06/1315926106.db2.gz LYTLDDKRXBWTEW-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO O=C(Cc1ccc(F)cc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149610099 1315998350 /nfs/dbraw/zinc/99/83/50/1315998350.db2.gz IBLNOKOXYQPEEZ-UHFFFAOYSA-N 1 0 331.347 2.182 20 5 EEBDRO Cc1ccc(OCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001150137209 1316174664 /nfs/dbraw/zinc/17/46/64/1316174664.db2.gz LJJMKUMPKFTVSK-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2cc(F)ccn2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001249342554 1317057014 /nfs/dbraw/zinc/05/70/14/1317057014.db2.gz NANJSRKQAOZWKN-GFCCVEGCSA-N 1 0 329.291 2.421 20 5 EEBDRO C[NH+](C)C[C@@H]1COCCN1c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001154968688 1317404258 /nfs/dbraw/zinc/40/42/58/1317404258.db2.gz PETOTQBQDHIMOI-MRVPVSSYSA-N 1 0 335.191 2.063 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592070 1317663671 /nfs/dbraw/zinc/66/36/71/1317663671.db2.gz LUXVPEPYUMNBTP-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO C[C@H](C[NH+](C)C)Nc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001155922643 1317788518 /nfs/dbraw/zinc/78/85/18/1317788518.db2.gz XPTMEIOOCDSEIA-RXMQYKEDSA-N 1 0 327.694 2.419 20 5 EEBDRO COc1nc(NCc2cccc(C[NH+](C)C)c2)nc(OC)c1[N+](=O)[O-] ZINC001156044189 1317848863 /nfs/dbraw/zinc/84/88/63/1317848863.db2.gz JHSXLRYBGKAODW-UHFFFAOYSA-N 1 0 347.375 2.076 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)c3cccnc3)CC2)cc1 ZINC001254469007 1318081350 /nfs/dbraw/zinc/08/13/50/1318081350.db2.gz STYOXKOFQAHVTM-GOSISDBHSA-N 1 0 342.399 2.282 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC(N3CCn4cncc4C3)CC2)cc1 ZINC001254479718 1318085085 /nfs/dbraw/zinc/08/50/85/1318085085.db2.gz IZNWZQHKRDUSIY-UHFFFAOYSA-N 1 0 327.388 2.276 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC001254483887 1318085371 /nfs/dbraw/zinc/08/53/71/1318085371.db2.gz YTHSTPJBCYPLSY-GUYCJALGSA-N 1 0 347.415 2.305 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccccc1 ZINC001254536110 1318113608 /nfs/dbraw/zinc/11/36/08/1318113608.db2.gz NQWNYSYZPSIGPF-CQSZACIVSA-N 1 0 327.384 2.432 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)n2)c1 ZINC001254573538 1318126148 /nfs/dbraw/zinc/12/61/48/1318126148.db2.gz BOEUBEFXLFWCKL-INIZCTEOSA-N 1 0 336.355 2.047 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581991 1318130170 /nfs/dbraw/zinc/13/01/70/1318130170.db2.gz RKJOKWJVJRYHQI-JKSUJKDBSA-N 1 0 325.368 2.288 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1OC ZINC001254583927 1318133021 /nfs/dbraw/zinc/13/30/21/1318133021.db2.gz DZPCWHGWRRVIIO-CQSZACIVSA-N 1 0 329.356 2.264 20 5 EEBDRO [NH3+]Cc1ccc(-c2nnn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)n2)cc1 ZINC001254588692 1318137565 /nfs/dbraw/zinc/13/75/65/1318137565.db2.gz HXCDZHMXFOKSLU-MRXNPFEDSA-N 1 0 336.355 2.047 20 5 EEBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001254606092 1318141712 /nfs/dbraw/zinc/14/17/12/1318141712.db2.gz DNYSXGACPPKHGL-RRQGHBQHSA-N 1 0 329.400 2.005 20 5 EEBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612038 1318145763 /nfs/dbraw/zinc/14/57/63/1318145763.db2.gz URGCXCQMYJXVTM-DLBZAZTESA-N 1 0 340.383 2.314 20 5 EEBDRO Cc1nscc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156817120 1318223299 /nfs/dbraw/zinc/22/32/99/1318223299.db2.gz YYZHBSKZGSFMKA-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO [NH3+]CCc1cn(-c2nc(Cl)ncc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001157215326 1318493185 /nfs/dbraw/zinc/49/31/85/1318493185.db2.gz QNYDKRFFZNSIKM-UHFFFAOYSA-N 1 0 333.735 2.189 20 5 EEBDRO Cc1nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001157434311 1318638756 /nfs/dbraw/zinc/63/87/56/1318638756.db2.gz PZVPCVHBTLXAEC-HNNXBMFYSA-N 1 0 327.388 2.452 20 5 EEBDRO COc1cc(N2CCC(n3cncc3CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256082249 1318641257 /nfs/dbraw/zinc/64/12/57/1318641257.db2.gz CRALYVXJWNXDSR-UHFFFAOYSA-N 1 0 345.403 2.143 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](O)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256092888 1318644676 /nfs/dbraw/zinc/64/46/76/1318644676.db2.gz AKJAOPATTSTVDW-DOMZBBRYSA-N 1 0 335.404 2.027 20 5 EEBDRO O=C(NCCC[NH2+]CCCc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767849 1318848025 /nfs/dbraw/zinc/84/80/25/1318848025.db2.gz XTSLBECLQBKDDJ-UKRRQHHQSA-N 1 0 339.823 2.034 20 5 EEBDRO COCC1(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001157814498 1318880667 /nfs/dbraw/zinc/88/06/67/1318880667.db2.gz LHGZNZLYVQKLRC-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])cc2C1 ZINC001157979837 1318957346 /nfs/dbraw/zinc/95/73/46/1318957346.db2.gz KKNUJZCAELNXBZ-VIFPVBQESA-N 1 0 344.762 2.193 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158022476 1318974312 /nfs/dbraw/zinc/97/43/12/1318974312.db2.gz PBMQWOQJFGBEOF-QMMMGPOBSA-N 1 0 331.829 2.337 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158358997 1319200122 /nfs/dbraw/zinc/20/01/22/1319200122.db2.gz CAJAUCNRVUIHPN-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054281548 1319457972 /nfs/dbraw/zinc/45/79/72/1319457972.db2.gz MZDMXISWJHFTPW-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(C[NH2+]C2)CC1 ZINC001159042041 1319574448 /nfs/dbraw/zinc/57/44/48/1319574448.db2.gz MXJZODGDZUEZOE-UHFFFAOYSA-N 1 0 333.779 2.381 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001159334362 1319745349 /nfs/dbraw/zinc/74/53/49/1319745349.db2.gz UNNLPRMZFJWCOW-CYBMUJFWSA-N 1 0 330.344 2.483 20 5 EEBDRO O=C(NCCC1=CC[N@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160106851 1320071527 /nfs/dbraw/zinc/07/15/27/1320071527.db2.gz DTTFPZHIGRFMMQ-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3N)C2)c1 ZINC001161193162 1320415918 /nfs/dbraw/zinc/41/59/18/1320415918.db2.gz SKOHVFOICRMHBI-ZDUSSCGKSA-N 1 0 343.387 2.267 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161357974 1320472256 /nfs/dbraw/zinc/47/22/56/1320472256.db2.gz JZZWCISIBQGHHR-JOCQHMNTSA-N 1 0 328.376 2.496 20 5 EEBDRO CC(C)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161667220 1320579717 /nfs/dbraw/zinc/57/97/17/1320579717.db2.gz IYNXGDWCKCXVNY-UHFFFAOYSA-N 1 0 345.403 2.351 20 5 EEBDRO CC(C)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161672482 1320582450 /nfs/dbraw/zinc/58/24/50/1320582450.db2.gz QIQXNUOZSKDGDI-UHFFFAOYSA-N 1 0 345.403 2.351 20 5 EEBDRO Cc1ccnc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n1 ZINC001162196251 1320780020 /nfs/dbraw/zinc/78/00/20/1320780020.db2.gz IOOIRNNAEBBBPU-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001163209631 1321067798 /nfs/dbraw/zinc/06/77/98/1321067798.db2.gz QAOUPMIDNQYHKG-CJNGLKHVSA-N 1 0 342.355 2.292 20 5 EEBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001163325691 1321098537 /nfs/dbraw/zinc/09/85/37/1321098537.db2.gz XHQPKWRRAULVFP-BMIGLBTASA-N 1 0 325.340 2.066 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165322617 1321500371 /nfs/dbraw/zinc/50/03/71/1321500371.db2.gz DNLPOJUFEYOPOG-GFCCVEGCSA-N 1 0 340.811 2.240 20 5 EEBDRO CC(C)Oc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165433758 1321525617 /nfs/dbraw/zinc/52/56/17/1321525617.db2.gz KJQKBMCCUFEQNY-NWDGAFQWSA-N 1 0 338.383 2.290 20 5 EEBDRO O=[N+]([O-])c1cc(NCC2C[NH+](Cc3ccccc3)C2)cn2cnnc12 ZINC001165469330 1321530739 /nfs/dbraw/zinc/53/07/39/1321530739.db2.gz OVRBRPPVOGPUGL-UHFFFAOYSA-N 1 0 338.371 2.181 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001166701582 1321769716 /nfs/dbraw/zinc/76/97/16/1321769716.db2.gz RKBWCJBWXXWBEB-ZDUSSCGKSA-N 1 0 336.355 2.233 20 5 EEBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001166871111 1321805626 /nfs/dbraw/zinc/80/56/26/1321805626.db2.gz USEMQFJQWDRIET-NSHDSACASA-N 1 0 347.444 2.487 20 5 EEBDRO CNc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC001261459289 1322107422 /nfs/dbraw/zinc/10/74/22/1322107422.db2.gz GWXCIAFEEGXLQK-UHFFFAOYSA-N 1 0 332.404 2.242 20 5 EEBDRO C[C@@H]1C[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC001263088663 1322431382 /nfs/dbraw/zinc/43/13/82/1322431382.db2.gz ODANVFQYABPNJE-ZIAGYGMSSA-N 1 0 347.415 2.353 20 5 EEBDRO CC1([NH+]2CCCC2)CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001307211375 1331517389 /nfs/dbraw/zinc/51/73/89/1331517389.db2.gz AFMMZAONHCWRJQ-UHFFFAOYSA-N 1 0 347.419 2.298 20 5 EEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001311046469 1331747838 /nfs/dbraw/zinc/74/78/38/1331747838.db2.gz UWDCDPMNZBQXHD-SECBINFHSA-N 1 0 327.772 2.046 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001318389963 1332522250 /nfs/dbraw/zinc/52/22/50/1332522250.db2.gz KCICEAARTZLWHD-KBPBESRZSA-N 1 0 331.376 2.074 20 5 EEBDRO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C1CC1 ZINC001318942723 1332627034 /nfs/dbraw/zinc/62/70/34/1332627034.db2.gz GRUGJFGNVYWBRT-KRWDZBQOSA-N 1 0 345.399 2.201 20 5 EEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001319579719 1332724057 /nfs/dbraw/zinc/72/40/57/1332724057.db2.gz PYNCUPDLOIYMEG-GFCCVEGCSA-N 1 0 328.372 2.386 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001321721749 1333148315 /nfs/dbraw/zinc/14/83/15/1333148315.db2.gz SYYQOBZWGGTBCF-HOTGVXAUSA-N 1 0 334.420 2.309 20 5 EEBDRO CS[C@@H]1CC[C@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC001323267902 1333426634 /nfs/dbraw/zinc/42/66/34/1333426634.db2.gz CRQWICDLOGEOMM-CMPLNLGQSA-N 1 0 349.412 2.364 20 5 EEBDRO COc1cccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC001326083311 1334024634 /nfs/dbraw/zinc/02/46/34/1334024634.db2.gz ZXNKDRDXLRUYDW-OAHLLOKOSA-N 1 0 330.388 2.444 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001328221905 1334417942 /nfs/dbraw/zinc/41/79/42/1334417942.db2.gz VTLHRNNNKBWSRU-SNVBAGLBSA-N 1 0 334.401 2.446 20 5 EEBDRO Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC001329008664 1334566716 /nfs/dbraw/zinc/56/67/16/1334566716.db2.gz MGWFTHLUGIHLJR-UHFFFAOYSA-N 1 0 335.385 2.446 20 5 EEBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001331377381 1335005267 /nfs/dbraw/zinc/00/52/67/1335005267.db2.gz GYIBMRIHKQVPNX-ZDUSSCGKSA-N 1 0 347.396 2.452 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC001336756107 1336590431 /nfs/dbraw/zinc/59/04/31/1336590431.db2.gz FHQZUPRGHGGHJE-AWEZNQCLSA-N 1 0 341.358 2.389 20 5 EEBDRO CC[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+]1CCCC1 ZINC001336968631 1336624090 /nfs/dbraw/zinc/62/40/90/1336624090.db2.gz DOPBNNIWKXICEA-GFCCVEGCSA-N 1 0 347.419 2.072 20 5 EEBDRO CCc1nn(C)c(NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001337443483 1336702631 /nfs/dbraw/zinc/70/26/31/1336702631.db2.gz WYASDCZRZXKJSE-UHFFFAOYSA-N 1 0 330.392 2.367 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001340527616 1337202415 /nfs/dbraw/zinc/20/24/15/1337202415.db2.gz QUMBKBWGNSQQOI-VIFPVBQESA-N 1 0 329.809 2.073 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001340879893 1337261550 /nfs/dbraw/zinc/26/15/50/1337261550.db2.gz ZYXNHAMFCSMNQB-UHFFFAOYSA-N 1 0 346.391 2.141 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC001343547538 1337336184 /nfs/dbraw/zinc/33/61/84/1337336184.db2.gz LHIGFBFBDRHMAZ-HNNXBMFYSA-N 1 0 332.404 2.283 20 5 EEBDRO C[NH2+][C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001358170706 1339031654 /nfs/dbraw/zinc/03/16/54/1339031654.db2.gz QQCUYZLLCABIFH-INIZCTEOSA-N 1 0 327.384 2.084 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)[NH3+] ZINC001575083642 1343731134 /nfs/dbraw/zinc/73/11/34/1343731134.db2.gz VIDLTOAIUMHEES-VIFPVBQESA-N 1 0 328.800 2.244 20 5 EEBDRO C[C@@H]([NH3+])C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001576104464 1343967445 /nfs/dbraw/zinc/96/74/45/1343967445.db2.gz ZGXVWMUWCBFWPC-CQSZACIVSA-N 1 0 349.431 2.178 20 5 EEBDRO [NH3+]C1CCC2(CC1)CN(c1c(F)cc([N+](=O)[O-])cc1F)CCO2 ZINC001580173341 1344485195 /nfs/dbraw/zinc/48/51/95/1344485195.db2.gz MFFQAHDLFQUKRX-UHFFFAOYSA-N 1 0 327.331 2.350 20 5 EEBDRO CC1(C)CC(Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083874 1349145191 /nfs/dbraw/zinc/14/51/91/1349145191.db2.gz MREUXFBQNNDROS-UHFFFAOYSA-N 1 0 345.407 2.496 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590272105 1349242732 /nfs/dbraw/zinc/24/27/32/1349242732.db2.gz NKOMMRBQEJHFCS-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590410529 1349311599 /nfs/dbraw/zinc/31/15/99/1349311599.db2.gz QUXXDSMSVDQXES-NSHDSACASA-N 1 0 333.396 2.226 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591065368 1349438458 /nfs/dbraw/zinc/43/84/58/1349438458.db2.gz MJJSBDRAYFAANX-GFCCVEGCSA-N 1 0 345.407 2.086 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC1CC[NH+](C2CCC2)CC1 ZINC001593481174 1349813188 /nfs/dbraw/zinc/81/31/88/1349813188.db2.gz PHPAIVCULBVFAU-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001604679356 1350983011 /nfs/dbraw/zinc/98/30/11/1350983011.db2.gz MISWCKVLQTXXAY-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122822954 1372078151 /nfs/dbraw/zinc/07/81/51/1372078151.db2.gz LFNZCTMDOWNQLU-CYBMUJFWSA-N 1 0 338.456 2.239 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909982 1372575225 /nfs/dbraw/zinc/57/52/25/1372575225.db2.gz BWKNMNBMSUOAEN-RBOXIYTFSA-N 1 0 345.403 2.481 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839537471 1372908614 /nfs/dbraw/zinc/90/86/14/1372908614.db2.gz VOKOHLZSFIPLIA-IAOVAPTHSA-N 1 0 331.416 2.342 20 5 EEBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592005653 1403982023 /nfs/dbraw/zinc/98/20/23/1403982023.db2.gz VALKHQDJBSPRLH-GFCCVEGCSA-N 1 0 345.407 2.004 20 5 EEBDRO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100278910 1410625280 /nfs/dbraw/zinc/62/52/80/1410625280.db2.gz XRTYDYUVDGZEFX-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccc(C)cc1[N+](=O)[O-] ZINC001100607227 1410680423 /nfs/dbraw/zinc/68/04/23/1410680423.db2.gz RARGDCTWJZOQSU-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[NH+](C)CC1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165043291 721944060 /nfs/dbraw/zinc/94/40/60/721944060.db2.gz YULWTVAIWMWFNN-UHFFFAOYSA-N 1 0 334.207 2.470 20 5 EEBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001165052553 722000606 /nfs/dbraw/zinc/00/06/06/722000606.db2.gz UGQSUUNDKUXHEA-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NOC1CC[NH+](C)CC1 ZINC000846650519 790309953 /nfs/dbraw/zinc/30/99/53/790309953.db2.gz SLJFAUWODKMVJT-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104400860 760277159 /nfs/dbraw/zinc/27/71/59/760277159.db2.gz DGSQAAHUWSDJDC-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001105419171 783544600 /nfs/dbraw/zinc/54/46/00/783544600.db2.gz JIBAFJLZBWIATG-UHFFFAOYSA-N 1 0 348.447 2.140 20 5 EEBDRO C[N@H+](C[C@H](O)COc1cccc(Br)c1[N+](=O)[O-])C1CC1 ZINC000905981688 783615813 /nfs/dbraw/zinc/61/58/13/783615813.db2.gz WYQREUMIHMTDSP-JTQLQIEISA-N 1 0 345.193 2.191 20 5 EEBDRO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953699 785103442 /nfs/dbraw/zinc/10/34/42/785103442.db2.gz SYFAMSBESHYSIZ-GFCCVEGCSA-N 1 0 342.403 2.155 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)cc1 ZINC000819042370 785371814 /nfs/dbraw/zinc/37/18/14/785371814.db2.gz MDLQSTPQIDWWDF-OSPHWJPCSA-N 1 0 348.424 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)cc1 ZINC000819068091 785410567 /nfs/dbraw/zinc/41/05/67/785410567.db2.gz FKKWBYQGSMTELB-QGZVFWFLSA-N 1 0 328.368 2.395 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000819175863 785448286 /nfs/dbraw/zinc/44/82/86/785448286.db2.gz CEIKRJMXZLGHOO-CYBMUJFWSA-N 1 0 344.293 2.133 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000820632778 785996754 /nfs/dbraw/zinc/99/67/54/785996754.db2.gz FXACUTCEXMMTEQ-OAHLLOKOSA-N 1 0 347.415 2.006 20 5 EEBDRO O=C(c1ccns1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996637225 786907535 /nfs/dbraw/zinc/90/75/35/786907535.db2.gz CGPRKJMUUKLWJZ-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO C[NH+]1CCC(CC(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107352980 786961830 /nfs/dbraw/zinc/96/18/30/786961830.db2.gz SDCVFFQJQLBYRJ-NSCUHMNNSA-N 1 0 346.431 2.411 20 5 EEBDRO COCC1(c2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)CC[NH2+]CC1 ZINC000823270125 787647334 /nfs/dbraw/zinc/64/73/34/787647334.db2.gz NHIOHMWBSKBUCV-UHFFFAOYSA-N 1 0 332.360 2.221 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001109653033 805829996 /nfs/dbraw/zinc/82/99/96/805829996.db2.gz LAXGSNGWBMYGGJ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824003031 787996248 /nfs/dbraw/zinc/99/62/48/787996248.db2.gz MFAZGKXYCCRVRR-NEPJUHHUSA-N 1 0 335.408 2.419 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000825187793 788472492 /nfs/dbraw/zinc/47/24/92/788472492.db2.gz DATLEQYMYSHOGU-STQMWFEESA-N 1 0 332.404 2.052 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000923267882 789252493 /nfs/dbraw/zinc/25/24/93/789252493.db2.gz YHTZCJSOBHMEOK-GOEBONIOSA-N 1 0 345.399 2.253 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089940705 794078127 /nfs/dbraw/zinc/07/81/27/794078127.db2.gz LVDAJNQOVWMSAQ-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112353840 795296635 /nfs/dbraw/zinc/29/66/35/795296635.db2.gz DUXPBIHGMHVGJS-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CCC[NH+]1CCCCC1 ZINC001093648684 795513482 /nfs/dbraw/zinc/51/34/82/795513482.db2.gz WPVPWRSTKJUNLK-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cn1c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000915628992 796338692 /nfs/dbraw/zinc/33/86/92/796338692.db2.gz LSAXRBWGBHWYDW-UHFFFAOYSA-N 1 0 344.415 2.180 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1F ZINC001106809368 796668027 /nfs/dbraw/zinc/66/80/27/796668027.db2.gz MNIGGXINLQTNKU-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COCCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903064 797130157 /nfs/dbraw/zinc/13/01/57/797130157.db2.gz DROLKHQDFFOJKC-KRWDZBQOSA-N 1 0 333.432 2.106 20 5 EEBDRO C[NH+](C)C[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172904575 797131127 /nfs/dbraw/zinc/13/11/27/797131127.db2.gz OPWNDWFDSQWISY-AEFFLSMTSA-N 1 0 333.432 2.105 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H](CO)C3)CC2)c(F)c1 ZINC001173013073 797196429 /nfs/dbraw/zinc/19/64/29/797196429.db2.gz MDNAHDMITFQIJS-LLVKDONJSA-N 1 0 341.358 2.156 20 5 EEBDRO CCOC(=O)[C@@H](C)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181499 797279615 /nfs/dbraw/zinc/27/96/15/797279615.db2.gz FAAGBYNTULUMJR-WDEREUQCSA-N 1 0 342.367 2.462 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(C)([NH3+])CC2)c1F ZINC001173185367 797280305 /nfs/dbraw/zinc/28/03/05/797280305.db2.gz YSPHNBMVQQSWSO-LLVKDONJSA-N 1 0 325.384 2.487 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001173219663 797300861 /nfs/dbraw/zinc/30/08/61/797300861.db2.gz OZEITFDGQICDHU-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cnccn2)CC1 ZINC001173225928 797309905 /nfs/dbraw/zinc/30/99/05/797309905.db2.gz KIEHXKLNEGAYSU-AWEZNQCLSA-N 1 0 327.388 2.138 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001173212036 797314657 /nfs/dbraw/zinc/31/46/57/797314657.db2.gz WEOUQGIQDHKTPM-LBPRGKRZSA-N 1 0 349.412 2.114 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001173238797 797324906 /nfs/dbraw/zinc/32/49/06/797324906.db2.gz YNTNURBGOYWSDS-ZDUSSCGKSA-N 1 0 334.420 2.261 20 5 EEBDRO COCCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001174637077 797814116 /nfs/dbraw/zinc/81/41/16/797814116.db2.gz MWHGIEVSKKMRBH-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001176162172 798375228 /nfs/dbraw/zinc/37/52/28/798375228.db2.gz UIJPTXPMMUDOQU-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO CC(C)OCCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177393670 798917402 /nfs/dbraw/zinc/91/74/02/798917402.db2.gz SSDVUEKHDPAMSC-UHFFFAOYSA-N 1 0 337.420 2.396 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000828151764 800614136 /nfs/dbraw/zinc/61/41/36/800614136.db2.gz GZMVAUUWWZGTPC-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC001086011117 801923672 /nfs/dbraw/zinc/92/36/72/801923672.db2.gz JZHGGNHHVOVNMC-FZNQNYSPSA-N 1 0 347.415 2.006 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC(=[NH2+])N1CCN(C)CC1 ZINC001168740384 802755301 /nfs/dbraw/zinc/75/53/01/802755301.db2.gz GWFOMJACDRLGJA-UHFFFAOYSA-N 1 0 341.799 2.159 20 5 EEBDRO Cc1ncn(-c2c(Cl)cncc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168790539 803338228 /nfs/dbraw/zinc/33/82/28/803338228.db2.gz NRQBCAJWJTZMCJ-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962333 803551021 /nfs/dbraw/zinc/55/10/21/803551021.db2.gz LLWIAIJHSPIOMA-QTVXIADOSA-N 1 0 339.436 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168961928 803551078 /nfs/dbraw/zinc/55/10/78/803551078.db2.gz LHIBXSMMPFSZGH-BFHYXJOUSA-N 1 0 327.425 2.421 20 5 EEBDRO CCOC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168987896 803572560 /nfs/dbraw/zinc/57/25/60/803572560.db2.gz LDRXCVKNZWBLFA-NOLJZWGESA-N 1 0 336.388 2.422 20 5 EEBDRO CC(=O)c1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169034253 803578850 /nfs/dbraw/zinc/57/88/50/803578850.db2.gz GKCDDYUYRGLBAL-QAPCUYQASA-N 1 0 331.416 2.457 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169037266 803580848 /nfs/dbraw/zinc/58/08/48/803580848.db2.gz RPSXBIHZLLKJSR-JSGCOSHPSA-N 1 0 339.436 2.421 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CCN(Cc2cccnc2)C3)C1 ZINC001169019492 803587717 /nfs/dbraw/zinc/58/77/17/803587717.db2.gz ISMQAFUTAPCBNA-DOTOQJQBSA-N 1 0 330.432 2.035 20 5 EEBDRO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169019449 803587780 /nfs/dbraw/zinc/58/77/80/803587780.db2.gz IDLGQOWVFBBRSB-KZNAEPCWSA-N 1 0 339.480 2.255 20 5 EEBDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169020107 803587825 /nfs/dbraw/zinc/58/78/25/803587825.db2.gz IGMXJVXTQYWZJV-RYPNDVFKSA-N 1 0 336.392 2.118 20 5 EEBDRO O=C(Cc1ccccc1)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169047029 803593031 /nfs/dbraw/zinc/59/30/31/803593031.db2.gz QAELIGPWQJWEEH-MSOLQXFVSA-N 1 0 345.443 2.209 20 5 EEBDRO CCC1(NC(=O)OC(C)(C)C)C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047854 803593461 /nfs/dbraw/zinc/59/34/61/803593461.db2.gz RWPZYXQZEHLSKP-STQMWFEESA-N 1 0 327.425 2.421 20 5 EEBDRO CC1(C)C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169143557 803634639 /nfs/dbraw/zinc/63/46/39/803634639.db2.gz KPGNZDYABPHCGV-MGPLVRAMSA-N 1 0 335.408 2.044 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109463792 805504204 /nfs/dbraw/zinc/50/42/04/805504204.db2.gz XTQKYZOQRNPPNI-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000790580780 808816486 /nfs/dbraw/zinc/81/64/86/808816486.db2.gz USKXQUDLPRCTFS-SNVBAGLBSA-N 1 0 341.770 2.283 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnn(CCF)c2)c([N+](=O)[O-])c1 ZINC001170321888 809890046 /nfs/dbraw/zinc/89/00/46/809890046.db2.gz DMUHOKSIWUZMHL-LBPRGKRZSA-N 1 0 336.367 2.490 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329233 809893707 /nfs/dbraw/zinc/89/37/07/809893707.db2.gz YBHZRMSMMWFOAD-BLLLJJGKSA-N 1 0 331.372 2.253 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001170356105 809903808 /nfs/dbraw/zinc/90/38/08/809903808.db2.gz XFUBHLZPYKUZHV-HUBLWGQQSA-N 1 0 336.388 2.275 20 5 EEBDRO [NH2+]=C(NOCCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000808261776 812563591 /nfs/dbraw/zinc/56/35/91/812563591.db2.gz YADJDDYOEOBJAT-MRXNPFEDSA-N 1 0 343.339 2.476 20 5 EEBDRO [NH3+][C@]1(CO)CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001523009402 1119594584 /nfs/dbraw/zinc/59/45/84/1119594584.db2.gz FRRYOQHYVRADPB-HXUWFJFHSA-N 1 0 335.407 2.314 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189626356 529431356 /nfs/dbraw/zinc/43/13/56/529431356.db2.gz LLQATVACTVSIOH-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416049149 529933676 /nfs/dbraw/zinc/93/36/76/529933676.db2.gz QPYBVEXAUQKHIY-LBPRGKRZSA-N 1 0 348.325 2.058 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171352376 530048868 /nfs/dbraw/zinc/04/88/68/530048868.db2.gz JIEVYMXTILNHNX-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236746040 535035320 /nfs/dbraw/zinc/03/53/20/535035320.db2.gz SBFXZEAZUHHLRM-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)cc1SC ZINC000103205498 219269086 /nfs/dbraw/zinc/26/90/86/219269086.db2.gz SNPZFBPPVNWXBR-UHFFFAOYSA-N 1 0 327.406 2.007 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000130042587 223115681 /nfs/dbraw/zinc/11/56/81/223115681.db2.gz YKAWPIRODFMSTC-AWEZNQCLSA-N 1 0 346.431 2.315 20 5 EEBDRO COc1ccc(C(=O)N(C)CCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000130604374 223165000 /nfs/dbraw/zinc/16/50/00/223165000.db2.gz SVWMHDDSGLHIGM-UHFFFAOYSA-N 1 0 332.360 2.271 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[NH2+]CCCO3)cs2)c1 ZINC000415041712 238792735 /nfs/dbraw/zinc/79/27/35/238792735.db2.gz PSTPZYYBNAVHLK-HNNXBMFYSA-N 1 0 348.428 2.186 20 5 EEBDRO C[NH+](C)C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000132409020 223328754 /nfs/dbraw/zinc/32/87/54/223328754.db2.gz NWQZULJOTGTEOC-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000193564486 240216312 /nfs/dbraw/zinc/21/63/12/240216312.db2.gz KRDFJAYTUIKTPJ-BBRMVZONSA-N 1 0 346.431 2.455 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245466439 243116645 /nfs/dbraw/zinc/11/66/45/243116645.db2.gz YYYRLHYGGRMCQP-SJORKVTESA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246250116 243217992 /nfs/dbraw/zinc/21/79/92/243217992.db2.gz WMULTPHRWLAHTK-KGLIPLIRSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459755448 245238319 /nfs/dbraw/zinc/23/83/19/245238319.db2.gz OQTQFCXJLSGOLT-NEPJUHHUSA-N 1 0 331.376 2.396 20 5 EEBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000078543769 217071623 /nfs/dbraw/zinc/07/16/23/217071623.db2.gz LFOMYAKZOLORDJ-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000110997244 220089843 /nfs/dbraw/zinc/08/98/43/220089843.db2.gz RHSVAOQODXKQLY-LBPRGKRZSA-N 1 0 336.348 2.107 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000110998127 220090493 /nfs/dbraw/zinc/09/04/93/220090493.db2.gz CGUHSALMRXERIE-GFCCVEGCSA-N 1 0 331.376 2.075 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000338073865 296212086 /nfs/dbraw/zinc/21/20/86/296212086.db2.gz PRVGRNVYCKBPNB-GFCCVEGCSA-N 1 0 346.412 2.121 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000265144934 247245709 /nfs/dbraw/zinc/24/57/09/247245709.db2.gz RHPLVLATDCDRHQ-HZPDHXFCSA-N 1 0 333.388 2.485 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265206542 247296973 /nfs/dbraw/zinc/29/69/73/247296973.db2.gz AEHUKUMCCZSISX-CQSZACIVSA-N 1 0 344.415 2.350 20 5 EEBDRO CCOc1cccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000096011594 218513474 /nfs/dbraw/zinc/51/34/74/218513474.db2.gz DKNOMPPUFACKEX-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363543921 285088801 /nfs/dbraw/zinc/08/88/01/285088801.db2.gz HBIRIXWRMUDNRH-ZBFHGGJFSA-N 1 0 339.823 2.279 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000090511279 285221247 /nfs/dbraw/zinc/22/12/47/285221247.db2.gz NPZFMRAKJFXKOJ-UHFFFAOYSA-N 1 0 343.383 2.342 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000154330538 224238472 /nfs/dbraw/zinc/23/84/72/224238472.db2.gz NTYRJDAASJKVRG-UHFFFAOYSA-N 1 0 333.388 2.487 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272827309 256242175 /nfs/dbraw/zinc/24/21/75/256242175.db2.gz MAZWBOGXTPUJHQ-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@@H]1C1CC1 ZINC000273071100 256262840 /nfs/dbraw/zinc/26/28/40/256262840.db2.gz OJLDAUVQKXUVNN-MSOLQXFVSA-N 1 0 345.399 2.031 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000275914082 256387616 /nfs/dbraw/zinc/38/76/16/256387616.db2.gz UPWIRRQQXDBVBR-UHFFFAOYSA-N 1 0 337.420 2.368 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000119618900 221361205 /nfs/dbraw/zinc/36/12/05/221361205.db2.gz RNXILHONEQJGQQ-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000189565901 533520703 /nfs/dbraw/zinc/52/07/03/533520703.db2.gz JNLBCPVNNKUWAS-HIFRSBDPSA-N 1 0 347.415 2.468 20 5 EEBDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000415995496 533665784 /nfs/dbraw/zinc/66/57/84/533665784.db2.gz NBSRUYABCHNEHR-KWQFWETISA-N 1 0 334.298 2.235 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356634702 141029980 /nfs/dbraw/zinc/02/99/80/141029980.db2.gz NIPWVERZTGFAMY-CYBMUJFWSA-N 1 0 333.388 2.104 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000192122127 296518358 /nfs/dbraw/zinc/51/83/58/296518358.db2.gz SSZMASQWTHZVLE-ZFWWWQNUSA-N 1 0 338.314 2.189 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000111352834 142358189 /nfs/dbraw/zinc/35/81/89/142358189.db2.gz KIZWIOSFYXOWCU-AWEZNQCLSA-N 1 0 341.433 2.056 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248554328 160349632 /nfs/dbraw/zinc/34/96/32/160349632.db2.gz AHKJYAYGJQVXCC-YPMHNXCESA-N 1 0 334.376 2.304 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000359440735 153363428 /nfs/dbraw/zinc/36/34/28/153363428.db2.gz PPVMMTDZNZMDFA-ZDUSSCGKSA-N 1 0 335.404 2.374 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106789431 159322347 /nfs/dbraw/zinc/32/23/47/159322347.db2.gz UDWDEWJHADGNFZ-ZDUSSCGKSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193969843 160189026 /nfs/dbraw/zinc/18/90/26/160189026.db2.gz RMOFJOFBADTOLT-MRXNPFEDSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342721736 161085750 /nfs/dbraw/zinc/08/57/50/161085750.db2.gz IBIPBUDTJANAPB-GUTXKFCHSA-N 1 0 334.420 2.303 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+]1C ZINC000343428322 161135276 /nfs/dbraw/zinc/13/52/76/161135276.db2.gz HIYVRTXVZDAEAM-ABAIWWIYSA-N 1 0 330.388 2.218 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068747 161422693 /nfs/dbraw/zinc/42/26/93/161422693.db2.gz OPIXADIXPKXTEF-GXTWGEPZSA-N 1 0 328.372 2.488 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000352788930 162287275 /nfs/dbraw/zinc/28/72/75/162287275.db2.gz BGOZCCVRAMJQSA-GXFFZTMASA-N 1 0 339.417 2.273 20 5 EEBDRO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000355452203 163195085 /nfs/dbraw/zinc/19/50/85/163195085.db2.gz ZFMFENPYXMKXBV-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC=CCC1 ZINC000355528697 163221950 /nfs/dbraw/zinc/22/19/50/163221950.db2.gz HQRYMVKWQCBISN-CQSZACIVSA-N 1 0 332.404 2.163 20 5 EEBDRO COC(=O)COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000355741231 163286279 /nfs/dbraw/zinc/28/62/79/163286279.db2.gz UPPKKXLKJDIVPX-BETUJISGSA-N 1 0 334.372 2.234 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000359098029 164058893 /nfs/dbraw/zinc/05/88/93/164058893.db2.gz BXFQINPMFGHZBC-GOSISDBHSA-N 1 0 341.411 2.426 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359928089 164198411 /nfs/dbraw/zinc/19/84/11/164198411.db2.gz YIHNSEWJWDMTIR-NEPJUHHUSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000360248410 164266900 /nfs/dbraw/zinc/26/69/00/164266900.db2.gz HPZRSJSVRMZTIA-UHFFFAOYSA-N 1 0 336.373 2.165 20 5 EEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360654127 164358950 /nfs/dbraw/zinc/35/89/50/164358950.db2.gz SNEKLJCIPLVMMW-ONGXEEELSA-N 1 0 347.824 2.009 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272526108 268986775 /nfs/dbraw/zinc/98/67/75/268986775.db2.gz MACUUDIECIMUHV-UHFFFAOYSA-N 1 0 327.331 2.289 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000280867796 269395560 /nfs/dbraw/zinc/39/55/60/269395560.db2.gz AIABYQHLOGJNKY-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000097080906 273804515 /nfs/dbraw/zinc/80/45/15/273804515.db2.gz VWPQRDMQAFYGEN-AWEZNQCLSA-N 1 0 329.360 2.414 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272478502 274173460 /nfs/dbraw/zinc/17/34/60/274173460.db2.gz UPTNOCQQDNBZEE-NSHDSACASA-N 1 0 342.827 2.430 20 5 EEBDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344541 274246896 /nfs/dbraw/zinc/24/68/96/274246896.db2.gz UXFCQHPAEAYNEW-RHSMWYFYSA-N 1 0 348.447 2.188 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000277411165 274290962 /nfs/dbraw/zinc/29/09/62/274290962.db2.gz HWXNEAOSYGPTDC-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1cc(N2C[C@@H](O)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338728909 274713151 /nfs/dbraw/zinc/71/31/51/274713151.db2.gz RNHQZIMXLLWGPR-CHWSQXEVSA-N 1 0 333.310 2.033 20 5 EEBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285427841 274730004 /nfs/dbraw/zinc/73/00/04/274730004.db2.gz HDVRQJYLGLYMQS-UHFFFAOYSA-N 1 0 345.380 2.432 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c2ncccc12 ZINC000366850159 275036364 /nfs/dbraw/zinc/03/63/64/275036364.db2.gz LBKSLRXCMHSLLT-ZDUSSCGKSA-N 1 0 328.372 2.054 20 5 EEBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000288276844 275041696 /nfs/dbraw/zinc/04/16/96/275041696.db2.gz QXDPEGVJQPSBNW-DGCLKSJQSA-N 1 0 328.376 2.042 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289226127 275104790 /nfs/dbraw/zinc/10/47/90/275104790.db2.gz LQKSTIPYINFDHC-INIZCTEOSA-N 1 0 337.807 2.393 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCCn2cc(CO)nn2)c2cc([N+](=O)[O-])ccc21 ZINC000289610223 275132230 /nfs/dbraw/zinc/13/22/30/275132230.db2.gz DBSLEKPYKLJBRN-MRXNPFEDSA-N 1 0 345.403 2.081 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)n1 ZINC000290155387 275184852 /nfs/dbraw/zinc/18/48/52/275184852.db2.gz OBLWWEVZJDMIOS-KRWDZBQOSA-N 1 0 342.399 2.475 20 5 EEBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000290810063 275242142 /nfs/dbraw/zinc/24/21/42/275242142.db2.gz RBNVIILFMKPKFP-NSHDSACASA-N 1 0 345.193 2.191 20 5 EEBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000290882388 275248912 /nfs/dbraw/zinc/24/89/12/275248912.db2.gz CCKAUMDBPITEMI-RISCZKNCSA-N 1 0 343.387 2.192 20 5 EEBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000291436569 275305170 /nfs/dbraw/zinc/30/51/70/275305170.db2.gz MJDQRZAJKKMXIB-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291621987 275323837 /nfs/dbraw/zinc/32/38/37/275323837.db2.gz CTWJIVDHRQBRDB-RBUKOAKNSA-N 1 0 342.395 2.264 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214378 275395073 /nfs/dbraw/zinc/39/50/73/275395073.db2.gz ONYYLDOTLRPGRD-DYVFJYSZSA-N 1 0 343.383 2.221 20 5 EEBDRO COc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000159763897 278049001 /nfs/dbraw/zinc/04/90/01/278049001.db2.gz FZFAJPLUFRHFAH-UHFFFAOYSA-N 1 0 343.383 2.430 20 5 EEBDRO COc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542057 278095499 /nfs/dbraw/zinc/09/54/99/278095499.db2.gz NWMPROWZSIYKLN-KGLIPLIRSA-N 1 0 331.376 2.468 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCn3ccnc3C2)n1 ZINC000447596272 280377217 /nfs/dbraw/zinc/37/72/17/280377217.db2.gz CCRXLPJMFIRIQL-MELADBBJSA-N 1 0 330.392 2.076 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236671430 281839317 /nfs/dbraw/zinc/83/93/17/281839317.db2.gz PJOXEYGFOPOWJH-OAHLLOKOSA-N 1 0 346.431 2.298 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293654595 293262423 /nfs/dbraw/zinc/26/24/23/293262423.db2.gz HEGOMMVIYDIOCO-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293722185 293278936 /nfs/dbraw/zinc/27/89/36/293278936.db2.gz MNBKAPJDWAFHFP-ZDUSSCGKSA-N 1 0 336.436 2.329 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000294133525 293378650 /nfs/dbraw/zinc/37/86/50/293378650.db2.gz MNDLWZVSGMDUAS-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000296541223 294003033 /nfs/dbraw/zinc/00/30/33/294003033.db2.gz XWODPDXGYLILFW-ZDUSSCGKSA-N 1 0 334.420 2.417 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000296624316 294024700 /nfs/dbraw/zinc/02/47/00/294024700.db2.gz VFKCOUYUNXHBEU-GJZGRUSLSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1[NH3+] ZINC000297391969 294231675 /nfs/dbraw/zinc/23/16/75/294231675.db2.gz OEZIEGXJEXRXJJ-PUTJDCORSA-N 1 0 344.371 2.046 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1SC ZINC000298061300 294409259 /nfs/dbraw/zinc/40/92/59/294409259.db2.gz KDESKCYQOJBDFB-NFAWXSAZSA-N 1 0 336.417 2.470 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000238026084 295268291 /nfs/dbraw/zinc/26/82/91/295268291.db2.gz XNFYYCKAJXPGEE-MWLCHTKSSA-N 1 0 347.824 2.044 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193291889 301199571 /nfs/dbraw/zinc/19/95/71/301199571.db2.gz UFXWDQHSJWKVHJ-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000346058067 312271930 /nfs/dbraw/zinc/27/19/30/312271930.db2.gz APUSDRMRUOBGQT-GDBMZVCRSA-N 1 0 348.447 2.141 20 5 EEBDRO Cc1cc(NCC2([NH+]3CCOCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000413406449 312856116 /nfs/dbraw/zinc/85/61/16/312856116.db2.gz QVDIFMFCCBNAAD-UHFFFAOYSA-N 1 0 335.404 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414659592 313058495 /nfs/dbraw/zinc/05/84/95/313058495.db2.gz TYEGBJNXCDNVOS-DRZSPHRISA-N 1 0 334.376 2.195 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415490948 313131220 /nfs/dbraw/zinc/13/12/20/313131220.db2.gz AUNHKFTVKOBYIG-UHTWSYAYSA-N 1 0 334.376 2.195 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417711291 313573832 /nfs/dbraw/zinc/57/38/32/313573832.db2.gz DFNROBNGVYLLEP-KRWDZBQOSA-N 1 0 349.435 2.086 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000417716230 313575268 /nfs/dbraw/zinc/57/52/68/313575268.db2.gz LDANPHOXZWWPPQ-KGLIPLIRSA-N 1 0 349.435 2.145 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000425506772 314409422 /nfs/dbraw/zinc/40/94/22/314409422.db2.gz PODVDALGRXEIMI-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO COc1cc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435376536 314898204 /nfs/dbraw/zinc/89/82/04/314898204.db2.gz RHVLXICDCUJYLX-UWVGGRQHSA-N 1 0 345.346 2.387 20 5 EEBDRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141121 318070953 /nfs/dbraw/zinc/07/09/53/318070953.db2.gz CTZBLXWHIODAQO-VNHYZAJKSA-N 1 0 340.445 2.329 20 5 EEBDRO CCCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540144984 318071267 /nfs/dbraw/zinc/07/12/67/318071267.db2.gz RMUPYYCTULRLHJ-ZDUSSCGKSA-N 1 0 343.449 2.432 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000546024364 318241562 /nfs/dbraw/zinc/24/15/62/318241562.db2.gz RTSOKCFHEGODAU-MLGOLLRUSA-N 1 0 330.388 2.355 20 5 EEBDRO Cc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000561224862 318833563 /nfs/dbraw/zinc/83/35/63/318833563.db2.gz GAOKQSBWEIGOOZ-IRXDYDNUSA-N 1 0 330.388 2.202 20 5 EEBDRO CC(C)(C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000565534600 319191204 /nfs/dbraw/zinc/19/12/04/319191204.db2.gz NKGJEFLTUVRALK-UHFFFAOYSA-N 1 0 335.282 2.003 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565548352 319192942 /nfs/dbraw/zinc/19/29/42/319192942.db2.gz GWGQGMVDHZQEDA-DZGCQCFKSA-N 1 0 332.404 2.010 20 5 EEBDRO CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566063467 319239788 /nfs/dbraw/zinc/23/97/88/319239788.db2.gz WJBAHCISKXJCHC-KDOFPFPSSA-N 1 0 346.431 2.496 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000566131368 319249255 /nfs/dbraw/zinc/24/92/55/319249255.db2.gz KTIUFZVVXHVMOE-NEPJUHHUSA-N 1 0 337.401 2.184 20 5 EEBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567271631 319365380 /nfs/dbraw/zinc/36/53/80/319365380.db2.gz BZQOROZAIOVCRA-KRWDZBQOSA-N 1 0 347.415 2.497 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000567845172 319425550 /nfs/dbraw/zinc/42/55/50/319425550.db2.gz MYFPLLNBYDNZFB-GXTWGEPZSA-N 1 0 339.417 2.015 20 5 EEBDRO CCOc1cc(C(=O)NC(C)(C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000573556516 319945437 /nfs/dbraw/zinc/94/54/37/319945437.db2.gz RJWIGPDFUIKZJL-UHFFFAOYSA-N 1 0 339.392 2.249 20 5 EEBDRO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000574873212 320065140 /nfs/dbraw/zinc/06/51/40/320065140.db2.gz GNBKJVROQARBPM-DZGCQCFKSA-N 1 0 333.388 2.424 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000576148083 320145310 /nfs/dbraw/zinc/14/53/10/320145310.db2.gz AMXJEKZFZXKRMM-AWEZNQCLSA-N 1 0 335.404 2.170 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000576813015 320205746 /nfs/dbraw/zinc/20/57/46/320205746.db2.gz UQBQKPHYSBSFKK-UFPBRMSXSA-N 1 0 348.447 2.348 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(Sc3ccccc3)CC2)c1 ZINC000577859612 320280491 /nfs/dbraw/zinc/28/04/91/320280491.db2.gz FFZDZZHXGHKYRF-CQSZACIVSA-N 1 0 348.428 2.067 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000581306230 324226084 /nfs/dbraw/zinc/22/60/84/324226084.db2.gz WOJHMPXCHIFVGU-YSVLISHTSA-N 1 0 348.378 2.217 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296148555 465096054 /nfs/dbraw/zinc/09/60/54/465096054.db2.gz JZAUQHRVZSVSFP-IUIKQTSFSA-N 1 0 333.388 2.327 20 5 EEBDRO C[NH+](C)CC1(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1 ZINC000296156859 465097096 /nfs/dbraw/zinc/09/70/96/465097096.db2.gz KBYQBTDWWSICRW-UHFFFAOYSA-N 1 0 343.387 2.199 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)cc1[N+](=O)[O-] ZINC000347627814 465132191 /nfs/dbraw/zinc/13/21/91/465132191.db2.gz HHPOPLQQYZESTR-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351399513 465142103 /nfs/dbraw/zinc/14/21/03/465142103.db2.gz BDJHNLQYDCYODH-GJZGRUSLSA-N 1 0 333.436 2.350 20 5 EEBDRO COc1cc(C[NH2+][C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533025 465219140 /nfs/dbraw/zinc/21/91/40/465219140.db2.gz PSMKGCQSGHVOIM-ZJUUUORDSA-N 1 0 348.346 2.496 20 5 EEBDRO C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000341569852 465237191 /nfs/dbraw/zinc/23/71/91/465237191.db2.gz DROHJBGTFJEBMF-NSHDSACASA-N 1 0 347.396 2.306 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087032696 462585162 /nfs/dbraw/zinc/58/51/62/462585162.db2.gz AVKNPHWWSBTPPM-UHFFFAOYSA-N 1 0 344.415 2.289 20 5 EEBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)C1CC1 ZINC000087138187 462592037 /nfs/dbraw/zinc/59/20/37/462592037.db2.gz LVSJQPQWCSFTSM-GFCCVEGCSA-N 1 0 332.404 2.145 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000064310147 462693906 /nfs/dbraw/zinc/69/39/06/462693906.db2.gz QTRVWTHOJRSHOS-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1ccnc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089643926 462703552 /nfs/dbraw/zinc/70/35/52/462703552.db2.gz LMSLVWAGJLSRCI-HZPDHXFCSA-N 1 0 342.399 2.346 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007124 462763984 /nfs/dbraw/zinc/76/39/84/462763984.db2.gz LITPPHYFAZSXST-HNNXBMFYSA-N 1 0 349.387 2.043 20 5 EEBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015504 462766899 /nfs/dbraw/zinc/76/68/99/462766899.db2.gz ZULJWTNRZLATKX-OLZOCXBDSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000066047345 462848475 /nfs/dbraw/zinc/84/84/75/462848475.db2.gz SAXPGKMBFNQQDW-QLFBSQMISA-N 1 0 349.435 2.045 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000156142720 462984803 /nfs/dbraw/zinc/98/48/03/462984803.db2.gz KJIFOHPLCXGJRA-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067399424 463000421 /nfs/dbraw/zinc/00/04/21/463000421.db2.gz RQCOEGUNRMSZQN-KRWDZBQOSA-N 1 0 346.431 2.163 20 5 EEBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000120602195 463017230 /nfs/dbraw/zinc/01/72/30/463017230.db2.gz DCZMGIXAYCEVBT-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000067682743 463035764 /nfs/dbraw/zinc/03/57/64/463035764.db2.gz FVFDHEUNENBRMP-AWEZNQCLSA-N 1 0 349.435 2.036 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000121160706 463090268 /nfs/dbraw/zinc/09/02/68/463090268.db2.gz SRXPDAGDDVWSIX-ZDUSSCGKSA-N 1 0 344.415 2.467 20 5 EEBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053372768 463155364 /nfs/dbraw/zinc/15/53/64/463155364.db2.gz SPCXXBWLCFDXGU-MRXNPFEDSA-N 1 0 328.372 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cn1 ZINC000053608148 463177944 /nfs/dbraw/zinc/17/79/44/463177944.db2.gz UZBPSJMQNWTWIG-UHFFFAOYSA-N 1 0 348.325 2.081 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135635638 463187766 /nfs/dbraw/zinc/18/77/66/463187766.db2.gz CEJVRMOLBNWXOX-PXAZEXFGSA-N 1 0 344.415 2.417 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000136185190 463226302 /nfs/dbraw/zinc/22/63/02/463226302.db2.gz WJJFTRKSOUGLAI-GOSISDBHSA-N 1 0 328.368 2.397 20 5 EEBDRO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080086849 463280728 /nfs/dbraw/zinc/28/07/28/463280728.db2.gz HWZGHUQLTLFHJE-CQSZACIVSA-N 1 0 346.431 2.164 20 5 EEBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000056191933 463382944 /nfs/dbraw/zinc/38/29/44/463382944.db2.gz QGUDGGXSADUDHL-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000161057521 463395517 /nfs/dbraw/zinc/39/55/17/463395517.db2.gz NGASNQLTVBSDRQ-UWVGGRQHSA-N 1 0 342.193 2.357 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081128870 463397324 /nfs/dbraw/zinc/39/73/24/463397324.db2.gz APJNWSDOPPQRGV-AWEZNQCLSA-N 1 0 328.372 2.269 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169395 463487658 /nfs/dbraw/zinc/48/76/58/463487658.db2.gz ZBCZBYIZQWNGRS-RSUWNVLCSA-N 1 0 333.388 2.469 20 5 EEBDRO Nc1c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc(F)cc1[N+](=O)[O-] ZINC000072877919 463558306 /nfs/dbraw/zinc/55/83/06/463558306.db2.gz CUBJZNSNZTXIGD-UHFFFAOYSA-N 1 0 342.290 2.149 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127136996 463684549 /nfs/dbraw/zinc/68/45/49/463684549.db2.gz NHUHBXWFMQXSAN-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000170743579 463701781 /nfs/dbraw/zinc/70/17/81/463701781.db2.gz UHPIQFCYTMGAHH-MRXNPFEDSA-N 1 0 332.404 2.094 20 5 EEBDRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177525329 463728168 /nfs/dbraw/zinc/72/81/68/463728168.db2.gz IXJRERGGZMUEGV-TXEJJXNPSA-N 1 0 347.371 2.384 20 5 EEBDRO COc1cccc(N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000185186419 463772790 /nfs/dbraw/zinc/77/27/90/463772790.db2.gz VCQUTCWIOYEWKV-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO Cc1c(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000261640123 463811600 /nfs/dbraw/zinc/81/16/00/463811600.db2.gz IITFPMKVOUMYKL-INIZCTEOSA-N 1 0 325.368 2.234 20 5 EEBDRO Cc1cccc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000568744797 468381770 /nfs/dbraw/zinc/38/17/70/468381770.db2.gz GBINSEYSUPIYSV-OAHLLOKOSA-N 1 0 327.388 2.422 20 5 EEBDRO COCC1=CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000185837597 463887947 /nfs/dbraw/zinc/88/79/47/463887947.db2.gz ZGPOTBGBBCSCSO-UHFFFAOYSA-N 1 0 349.387 2.211 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2C1 ZINC000261962101 463912139 /nfs/dbraw/zinc/91/21/39/463912139.db2.gz XYZWCXNDKULRLB-VIFPVBQESA-N 1 0 336.348 2.259 20 5 EEBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1OC ZINC000269268086 463935704 /nfs/dbraw/zinc/93/57/04/463935704.db2.gz LGBSIVUPCMASKA-MRXNPFEDSA-N 1 0 339.392 2.105 20 5 EEBDRO C[C@@H](CCC1CC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186290214 463968741 /nfs/dbraw/zinc/96/87/41/463968741.db2.gz AFUPGZNMHNBRNT-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000262232422 463979302 /nfs/dbraw/zinc/97/93/02/463979302.db2.gz OBADAOLMRCJOAC-OAHLLOKOSA-N 1 0 341.367 2.220 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000178818873 463983415 /nfs/dbraw/zinc/98/34/15/463983415.db2.gz NMCRUFOMMIYFHU-ZDUSSCGKSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1c(CN2CC[NH+](CC3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000172426752 464078018 /nfs/dbraw/zinc/07/80/18/464078018.db2.gz JNTBRFQIUFXMPC-UHFFFAOYSA-N 1 0 333.432 2.447 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172425679 464078713 /nfs/dbraw/zinc/07/87/13/464078713.db2.gz DVECOKUAQWWKFT-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000263677562 464148825 /nfs/dbraw/zinc/14/88/25/464148825.db2.gz HNUVVQLTTQPZFW-AWEZNQCLSA-N 1 0 338.383 2.089 20 5 EEBDRO COC(=O)[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591026204 468396375 /nfs/dbraw/zinc/39/63/75/468396375.db2.gz MIYBIQMWWCIBLV-OAHLLOKOSA-N 1 0 349.387 2.341 20 5 EEBDRO CCC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000284357352 464162645 /nfs/dbraw/zinc/16/26/45/464162645.db2.gz MTCDDMUXCWSAHH-AWEZNQCLSA-N 1 0 347.375 2.104 20 5 EEBDRO C[C@@]12CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]1C2(Cl)Cl ZINC000284374208 464169368 /nfs/dbraw/zinc/16/93/68/464169368.db2.gz FFEYDBJCJPTXDK-WCQYABFASA-N 1 0 346.214 2.272 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270940666 464271274 /nfs/dbraw/zinc/27/12/74/464271274.db2.gz JRQKKSFAYGUVSF-VIFPVBQESA-N 1 0 329.198 2.283 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000280991655 464290151 /nfs/dbraw/zinc/29/01/51/464290151.db2.gz NEPGOQLEAWFXME-AWEZNQCLSA-N 1 0 348.403 2.222 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237616228 464349494 /nfs/dbraw/zinc/34/94/94/464349494.db2.gz GLKNDVXMJZBEIX-DTWKUNHWSA-N 1 0 342.193 2.309 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264675794 464418713 /nfs/dbraw/zinc/41/87/13/464418713.db2.gz NLMYFHMRKIGZDY-NWDGAFQWSA-N 1 0 337.424 2.121 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000181464733 464494669 /nfs/dbraw/zinc/49/46/69/464494669.db2.gz KYPHBBLWOPAELW-CJNGLKHVSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000272350737 464574815 /nfs/dbraw/zinc/57/48/15/464574815.db2.gz YCTQQQHBESUVSZ-TZMCWYRMSA-N 1 0 332.404 2.004 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353641 464575304 /nfs/dbraw/zinc/57/53/04/464575304.db2.gz DOFATMRYLMKCHA-GFCCVEGCSA-N 1 0 348.346 2.354 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294785176 464603267 /nfs/dbraw/zinc/60/32/67/464603267.db2.gz HDPBZTLRMPHLER-NSHDSACASA-N 1 0 344.371 2.111 20 5 EEBDRO CCOc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285630919 464636159 /nfs/dbraw/zinc/63/61/59/464636159.db2.gz CVDNTABRUQYJBQ-GOEBONIOSA-N 1 0 349.431 2.289 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000175848293 464641690 /nfs/dbraw/zinc/64/16/90/464641690.db2.gz WDDOIUKXBQBDIU-QWHCGFSZSA-N 1 0 336.417 2.441 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000265730095 464664098 /nfs/dbraw/zinc/66/40/98/464664098.db2.gz ARLQHLPBSRQGDC-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO COc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1C ZINC000190773837 464717720 /nfs/dbraw/zinc/71/77/20/464717720.db2.gz USPXMCKRHCLZAZ-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO CNC(=O)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000183645323 464891028 /nfs/dbraw/zinc/89/10/28/464891028.db2.gz FAXRWNNJTINNJU-INIZCTEOSA-N 1 0 346.387 2.153 20 5 EEBDRO CCc1nn(C)c(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286366971 464894063 /nfs/dbraw/zinc/89/40/63/464894063.db2.gz CUBXBONBZVVLQB-HNNXBMFYSA-N 1 0 343.431 2.254 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286494801 464938610 /nfs/dbraw/zinc/93/86/10/464938610.db2.gz RQKZXPRTOTYGAJ-JSGCOSHPSA-N 1 0 348.403 2.230 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239297 464988504 /nfs/dbraw/zinc/98/85/04/464988504.db2.gz UNPHWEFNTAXVTL-OTYXRUKQSA-N 1 0 348.359 2.024 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268273954 465002448 /nfs/dbraw/zinc/00/24/48/465002448.db2.gz UQWFVEXISRTWSU-CYBMUJFWSA-N 1 0 334.420 2.344 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000342483234 465325014 /nfs/dbraw/zinc/32/50/14/465325014.db2.gz YTUVEQVEBHFBPC-GHMZBOCLSA-N 1 0 331.376 2.163 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000342732546 465343578 /nfs/dbraw/zinc/34/35/78/465343578.db2.gz ZVLWGJUSHRIZLP-KBPBESRZSA-N 1 0 346.431 2.170 20 5 EEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000351903583 465431608 /nfs/dbraw/zinc/43/16/08/465431608.db2.gz DZJNQNDAZHJRCX-UHFFFAOYSA-N 1 0 339.440 2.107 20 5 EEBDRO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359967840 465512608 /nfs/dbraw/zinc/51/26/08/465512608.db2.gz ZYAUGTDFYDVYLW-KBPBESRZSA-N 1 0 345.321 2.441 20 5 EEBDRO CCOc1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000356799207 465547483 /nfs/dbraw/zinc/54/74/83/465547483.db2.gz WHAKIOGOUGXRON-ZFWWWQNUSA-N 1 0 325.434 2.475 20 5 EEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000352816612 465558658 /nfs/dbraw/zinc/55/86/58/465558658.db2.gz PPEZAIQXLVSVSC-JQWIXIFHSA-N 1 0 337.401 2.234 20 5 EEBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353052408 465602909 /nfs/dbraw/zinc/60/29/09/465602909.db2.gz JYOSXLAYJFUQPK-UHFFFAOYSA-N 1 0 339.351 2.371 20 5 EEBDRO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000362259330 465613006 /nfs/dbraw/zinc/61/30/06/465613006.db2.gz DIAJBFIFYDLWLQ-AWEZNQCLSA-N 1 0 347.415 2.498 20 5 EEBDRO Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360934297 465643872 /nfs/dbraw/zinc/64/38/72/465643872.db2.gz GNEFLKBQRBSHTB-GFCCVEGCSA-N 1 0 328.372 2.295 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348530318 465657644 /nfs/dbraw/zinc/65/76/44/465657644.db2.gz LNWJXNOSEFZHLY-XBFCOCLRSA-N 1 0 346.330 2.084 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154751 468448436 /nfs/dbraw/zinc/44/84/36/468448436.db2.gz NWCCYCSUPSEDSI-VXGBXAGGSA-N 1 0 343.387 2.307 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000330743562 465786059 /nfs/dbraw/zinc/78/60/59/465786059.db2.gz RLHVFXHEFVCRQT-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371451946 465802437 /nfs/dbraw/zinc/80/24/37/465802437.db2.gz NPUPYJYNGGPGHP-HOCLYGCPSA-N 1 0 332.404 2.063 20 5 EEBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362527173 465806407 /nfs/dbraw/zinc/80/64/07/465806407.db2.gz YSLQVMRVXFWNNN-GJZGRUSLSA-N 1 0 344.795 2.158 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000361210839 465838461 /nfs/dbraw/zinc/83/84/61/465838461.db2.gz DETAIUZNKVEXCE-HZPDHXFCSA-N 1 0 349.431 2.000 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000591352853 468456207 /nfs/dbraw/zinc/45/62/07/468456207.db2.gz ILMRZYZWAYQBLE-CQSZACIVSA-N 1 0 349.435 2.147 20 5 EEBDRO COC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000361275813 465879709 /nfs/dbraw/zinc/87/97/09/465879709.db2.gz YRRDCHHMSLJEGY-UHFFFAOYSA-N 1 0 334.376 2.492 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1(O)CCC1 ZINC000353483929 465920264 /nfs/dbraw/zinc/92/02/64/465920264.db2.gz IPKPTFUEGMTMNM-SNVBAGLBSA-N 1 0 341.795 2.422 20 5 EEBDRO Cc1c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000349023218 465925737 /nfs/dbraw/zinc/92/57/37/465925737.db2.gz BQDJKKBKFDHVQD-LBPRGKRZSA-N 1 0 326.356 2.367 20 5 EEBDRO Cc1cc(NCc2ccc(C)n(C)c2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000362673527 465929437 /nfs/dbraw/zinc/92/94/37/465929437.db2.gz ONOPBCSFCGHRHI-UHFFFAOYSA-N 1 0 338.367 2.493 20 5 EEBDRO COc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000349032551 465929721 /nfs/dbraw/zinc/92/97/21/465929721.db2.gz XIHOQQVWKHKQQI-LBPRGKRZSA-N 1 0 342.355 2.067 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000346210238 465994904 /nfs/dbraw/zinc/99/49/04/465994904.db2.gz ADNWESBOORMQCV-GHMZBOCLSA-N 1 0 335.360 2.193 20 5 EEBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302172424 466110404 /nfs/dbraw/zinc/11/04/04/466110404.db2.gz VIDZKEFFVNPFQD-CQSZACIVSA-N 1 0 342.403 2.068 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363179320 466265786 /nfs/dbraw/zinc/26/57/86/466265786.db2.gz JBBQMXSRVSZLET-KBPBESRZSA-N 1 0 348.403 2.029 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577704 468485963 /nfs/dbraw/zinc/48/59/63/468485963.db2.gz BBABGGYSYCGKDM-ZBFHGGJFSA-N 1 0 329.404 2.149 20 5 EEBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000305465257 466410603 /nfs/dbraw/zinc/41/06/03/466410603.db2.gz WQWOHNNFXYOHIQ-BXUZGUMPSA-N 1 0 332.360 2.238 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000361931358 466417315 /nfs/dbraw/zinc/41/73/15/466417315.db2.gz VKNPGCCPBMMTNK-MRXNPFEDSA-N 1 0 340.383 2.200 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332234642 466461723 /nfs/dbraw/zinc/46/17/23/466461723.db2.gz RRDYCXTYIIDDCW-GHMZBOCLSA-N 1 0 344.371 2.013 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000332313124 466503347 /nfs/dbraw/zinc/50/33/47/466503347.db2.gz IGBBEQDZNFECHG-NEPJUHHUSA-N 1 0 328.372 2.356 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358201238 466534992 /nfs/dbraw/zinc/53/49/92/466534992.db2.gz JPWGPUZKFWLTFF-DLBZAZTESA-N 1 0 347.415 2.415 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000363658936 466541778 /nfs/dbraw/zinc/54/17/78/466541778.db2.gz DIFZAWCJSRMCAX-UHFFFAOYSA-N 1 0 335.404 2.042 20 5 EEBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591686525 468503058 /nfs/dbraw/zinc/50/30/58/468503058.db2.gz RLVXVVCETXBMLM-AWEZNQCLSA-N 1 0 339.342 2.331 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1ccnc1-c1cccnc1 ZINC000373267240 466747952 /nfs/dbraw/zinc/74/79/52/466747952.db2.gz JRMIJVZBCHKCBA-AWEZNQCLSA-N 1 0 340.339 2.293 20 5 EEBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[NH2+]C1 ZINC000423524337 466765556 /nfs/dbraw/zinc/76/55/56/466765556.db2.gz OHOYRUVUICPMLK-KRWDZBQOSA-N 1 0 328.372 2.263 20 5 EEBDRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732296 466816521 /nfs/dbraw/zinc/81/65/21/466816521.db2.gz YZNSEDLJEBWOMC-ZDUSSCGKSA-N 1 0 335.429 2.181 20 5 EEBDRO C[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000411508715 466838034 /nfs/dbraw/zinc/83/80/34/466838034.db2.gz BLJQPLRJRNJHNI-IAGOWNOFSA-N 1 0 333.388 2.471 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000417843314 466953738 /nfs/dbraw/zinc/95/37/38/466953738.db2.gz GXZPORUURCBHPX-ONGXEEELSA-N 1 0 330.335 2.246 20 5 EEBDRO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365888384 466977870 /nfs/dbraw/zinc/97/78/70/466977870.db2.gz XBFZPKWXAGQKCD-AWEZNQCLSA-N 1 0 349.435 2.075 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412046638 466979509 /nfs/dbraw/zinc/97/95/09/466979509.db2.gz NWIZWXQHYOKLRW-LZWOXQAQSA-N 1 0 347.415 2.325 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000417945216 466997531 /nfs/dbraw/zinc/99/75/31/466997531.db2.gz QJUACNKNCKGJOS-MRXNPFEDSA-N 1 0 334.420 2.344 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCC[NH2+]C1 ZINC000418098084 467043404 /nfs/dbraw/zinc/04/34/04/467043404.db2.gz ZBUMCUPVDSDFGR-LLVKDONJSA-N 1 0 346.309 2.165 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233289 467081231 /nfs/dbraw/zinc/08/12/31/467081231.db2.gz ODUHWXFWLNPYAE-DDUYRFODSA-N 1 0 332.404 2.425 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000412558200 467096288 /nfs/dbraw/zinc/09/62/88/467096288.db2.gz KTHFWCVRYALSOW-UHFFFAOYSA-N 1 0 335.339 2.333 20 5 EEBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425656377 467119785 /nfs/dbraw/zinc/11/97/85/467119785.db2.gz SPECXAOPAHVLLA-DUVNUKRYSA-N 1 0 332.404 2.391 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418622354 467136748 /nfs/dbraw/zinc/13/67/48/467136748.db2.gz NIDDOCQXHMMMHP-OAHLLOKOSA-N 1 0 334.420 2.296 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2cccnc21 ZINC000413320269 467215102 /nfs/dbraw/zinc/21/51/02/467215102.db2.gz PQCBYIMDQACRAP-BETUJISGSA-N 1 0 328.372 2.418 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284484 467337715 /nfs/dbraw/zinc/33/77/15/467337715.db2.gz OWROEHMMRUSVOZ-ZBFHGGJFSA-N 1 0 348.447 2.356 20 5 EEBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C[NH2+]1 ZINC000420376247 467384672 /nfs/dbraw/zinc/38/46/72/467384672.db2.gz AJEKXFIAVTYGCV-CHWSQXEVSA-N 1 0 330.388 2.475 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000420384224 467388633 /nfs/dbraw/zinc/38/86/33/467388633.db2.gz GEWHNGMFDCSPJL-GUYCJALGSA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420403714 467396727 /nfs/dbraw/zinc/39/67/27/467396727.db2.gz NMCHREMDERKQNP-JSGCOSHPSA-N 1 0 340.383 2.312 20 5 EEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000430203370 467407889 /nfs/dbraw/zinc/40/78/89/467407889.db2.gz FHNSNSYIYKHLQO-AWEZNQCLSA-N 1 0 342.417 2.003 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000392685658 467427777 /nfs/dbraw/zinc/42/77/77/467427777.db2.gz QIRXSGXNUJRVRD-INIZCTEOSA-N 1 0 325.368 2.440 20 5 EEBDRO C[NH+](C)CCc1ccc(CNc2c(C(N)=O)cccc2[N+](=O)[O-])cc1 ZINC000420615121 467434155 /nfs/dbraw/zinc/43/41/55/467434155.db2.gz ZWCLRXSRNYPCPZ-UHFFFAOYSA-N 1 0 342.399 2.410 20 5 EEBDRO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000420643108 467440261 /nfs/dbraw/zinc/44/02/61/467440261.db2.gz VRAFEAHZZDILRR-LBPRGKRZSA-N 1 0 332.404 2.004 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230961 467452751 /nfs/dbraw/zinc/45/27/51/467452751.db2.gz SIGDAHQEHZGQGX-HNNXBMFYSA-N 1 0 332.404 2.058 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435232024 467453146 /nfs/dbraw/zinc/45/31/46/467453146.db2.gz HZXVUNLJURWZGK-HNNXBMFYSA-N 1 0 332.404 2.058 20 5 EEBDRO CC[C@H]([NH3+])CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414989757 467462437 /nfs/dbraw/zinc/46/24/37/467462437.db2.gz OAEJTZCONYYDIT-JTQLQIEISA-N 1 0 333.335 2.074 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435374356 467463799 /nfs/dbraw/zinc/46/37/99/467463799.db2.gz IDFLAJXNOHCYAG-CQSZACIVSA-N 1 0 343.431 2.427 20 5 EEBDRO CNc1nc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454757935 467614193 /nfs/dbraw/zinc/61/41/93/467614193.db2.gz LRRLMQSLLMKGOR-ZDUSSCGKSA-N 1 0 349.435 2.273 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449650727 467677235 /nfs/dbraw/zinc/67/72/35/467677235.db2.gz USDOEIIJCWAFCR-CHWSQXEVSA-N 1 0 343.387 2.028 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458208059 467790034 /nfs/dbraw/zinc/79/00/34/467790034.db2.gz JUSHMFVUXBHNHJ-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[N@@H+]3CCCOCC3)n2)cc1 ZINC000450466299 467855293 /nfs/dbraw/zinc/85/52/93/467855293.db2.gz AFECOWKBAOCWIW-UHFFFAOYSA-N 1 0 348.428 2.853 20 5 EEBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)[N@H+]1CCO ZINC000450787911 467907787 /nfs/dbraw/zinc/90/77/87/467907787.db2.gz GLHWJWIPIVUHBP-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO C[NH+](C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459545149 467961391 /nfs/dbraw/zinc/96/13/91/467961391.db2.gz FYTJCCFESMHHMS-UHFFFAOYSA-N 1 0 328.800 2.117 20 5 EEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143991 467998729 /nfs/dbraw/zinc/99/87/29/467998729.db2.gz YVPVSJIOQHAPTM-WCQYABFASA-N 1 0 347.375 2.256 20 5 EEBDRO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]1OC ZINC000486018817 468011124 /nfs/dbraw/zinc/01/11/24/468011124.db2.gz NLYJPJMYZCQZKZ-BBWFWOEESA-N 1 0 331.372 2.478 20 5 EEBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000487501843 468041666 /nfs/dbraw/zinc/04/16/66/468041666.db2.gz KQHDHVVQCJFNRB-UHFFFAOYSA-N 1 0 344.371 2.132 20 5 EEBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487956551 468062760 /nfs/dbraw/zinc/06/27/60/468062760.db2.gz LTPLRJJNDNSSPB-XJKSGUPXSA-N 1 0 334.420 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCCOCC1 ZINC000517956421 468102779 /nfs/dbraw/zinc/10/27/79/468102779.db2.gz RMJANQZCQPZDMQ-HNNXBMFYSA-N 1 0 335.404 2.408 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000533310326 468187926 /nfs/dbraw/zinc/18/79/26/468187926.db2.gz OWZSXBARYORPMX-UHFFFAOYSA-N 1 0 335.360 2.004 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594195754 468508156 /nfs/dbraw/zinc/50/81/56/468508156.db2.gz IUXGGXUNJMDRLG-HUUCEWRRSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594235244 468523785 /nfs/dbraw/zinc/52/37/85/468523785.db2.gz UNTPPHXROYKWIV-DLBZAZTESA-N 1 0 346.431 2.453 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000569724325 468534924 /nfs/dbraw/zinc/53/49/24/468534924.db2.gz VBKSDHZFVVWRNY-NEPJUHHUSA-N 1 0 339.417 2.015 20 5 EEBDRO CNc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000569802937 468544982 /nfs/dbraw/zinc/54/49/82/468544982.db2.gz BAJQSSLIMZRSSO-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO Nc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418559 468579402 /nfs/dbraw/zinc/57/94/02/468579402.db2.gz KDNJFASVYGAOGC-OLZOCXBDSA-N 1 0 336.367 2.063 20 5 EEBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594519595 468614337 /nfs/dbraw/zinc/61/43/37/468614337.db2.gz WSXYQWUGMCZMLY-GFCCVEGCSA-N 1 0 329.356 2.482 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522785 468615138 /nfs/dbraw/zinc/61/51/38/468615138.db2.gz SVTKNQWDQZBVBT-YPMHNXCESA-N 1 0 345.403 2.330 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000594592518 468630255 /nfs/dbraw/zinc/63/02/55/468630255.db2.gz YUHUDKLGVFVBIR-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C3(CCCCC3)C2)c1 ZINC000594628724 468639544 /nfs/dbraw/zinc/63/95/44/468639544.db2.gz DLMKVJWYXYVBKT-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597710178 468647334 /nfs/dbraw/zinc/64/73/34/468647334.db2.gz JAHHKBSMXATSAK-SFHVURJKSA-N 1 0 347.415 2.226 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000570629412 468667502 /nfs/dbraw/zinc/66/75/02/468667502.db2.gz DNLVJIJXKBVWMV-CJNGLKHVSA-N 1 0 333.388 2.343 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592379992 468686607 /nfs/dbraw/zinc/68/66/07/468686607.db2.gz GWNALFWYZOCGHV-ZYHUDNBSSA-N 1 0 340.401 2.130 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597860247 468696438 /nfs/dbraw/zinc/69/64/38/468696438.db2.gz MOXNEUMJZIIQLM-LLVKDONJSA-N 1 0 349.387 2.174 20 5 EEBDRO CC1([NH3+])CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000592543790 468726987 /nfs/dbraw/zinc/72/69/87/468726987.db2.gz KJWCIDBBJASLMV-UHFFFAOYSA-N 1 0 346.431 2.151 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961904 468732043 /nfs/dbraw/zinc/73/20/43/468732043.db2.gz PAGJSYFJEPQWLS-IFMYKAFSSA-N 1 0 326.418 2.383 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220047 468796692 /nfs/dbraw/zinc/79/66/92/468796692.db2.gz OJCYUEVDIYTYFG-LLVKDONJSA-N 1 0 335.408 2.017 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598265344 468811470 /nfs/dbraw/zinc/81/14/70/468811470.db2.gz SEBRTOIEDUSIIH-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCO[C@@H]21 ZINC000584323116 468843488 /nfs/dbraw/zinc/84/34/88/468843488.db2.gz YSVYXUVDRJAEDY-JJXSEGSLSA-N 1 0 345.399 2.103 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000598571126 468918564 /nfs/dbraw/zinc/91/85/64/468918564.db2.gz GONGCOXRNPVGPX-AWEZNQCLSA-N 1 0 335.404 2.129 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000598575767 468920340 /nfs/dbraw/zinc/92/03/40/468920340.db2.gz XEMLDMMWHSMXJT-LBPRGKRZSA-N 1 0 343.330 2.266 20 5 EEBDRO CC(C)C[C@H]([NH3+])c1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000598588359 468924133 /nfs/dbraw/zinc/92/41/33/468924133.db2.gz JJGPETRATWSJNN-LBPRGKRZSA-N 1 0 348.363 2.345 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000584792287 468937974 /nfs/dbraw/zinc/93/79/74/468937974.db2.gz MCXPXELNODPUQZ-HNNXBMFYSA-N 1 0 338.310 2.403 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000593392697 468961063 /nfs/dbraw/zinc/96/10/63/468961063.db2.gz VGMQCSZEWRJFDI-UHFFFAOYSA-N 1 0 344.346 2.020 20 5 EEBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639254 468982796 /nfs/dbraw/zinc/98/27/96/468982796.db2.gz IESIDJKUMMKLIJ-TVQRCGJNSA-N 1 0 334.294 2.243 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000610514559 468991295 /nfs/dbraw/zinc/99/12/95/468991295.db2.gz WRLDEXNEXCVTNG-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000593483621 469001237 /nfs/dbraw/zinc/00/12/37/469001237.db2.gz GRTFQVFWYCRBFJ-NSHDSACASA-N 1 0 325.384 2.369 20 5 EEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602678017 469006767 /nfs/dbraw/zinc/00/67/67/469006767.db2.gz ZRNSGQMIJRNOJG-DYVFJYSZSA-N 1 0 334.420 2.099 20 5 EEBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602687421 469012194 /nfs/dbraw/zinc/01/21/94/469012194.db2.gz VRUACDHEUUMUJQ-ZBFHGGJFSA-N 1 0 330.388 2.381 20 5 EEBDRO Cc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 ZINC000602688958 469013371 /nfs/dbraw/zinc/01/33/71/469013371.db2.gz UJYWBKBFXAGLGY-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000598941547 469058878 /nfs/dbraw/zinc/05/88/78/469058878.db2.gz XBTWNQIEETVVTE-NSHDSACASA-N 1 0 329.360 2.093 20 5 EEBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783300 469070506 /nfs/dbraw/zinc/07/05/06/469070506.db2.gz JCIBHBVCWZURQV-SJLPKXTDSA-N 1 0 344.415 2.408 20 5 EEBDRO CC(C)c1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990707 469078877 /nfs/dbraw/zinc/07/88/77/469078877.db2.gz REJUXSPTICJEOF-INIZCTEOSA-N 1 0 348.447 2.148 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000595920828 469083682 /nfs/dbraw/zinc/08/36/82/469083682.db2.gz XKOKDTZHJRNGAU-UHFFFAOYSA-N 1 0 331.397 2.275 20 5 EEBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C(C)(C)C[NH+](C)C ZINC000587984713 469098626 /nfs/dbraw/zinc/09/86/26/469098626.db2.gz GZNMJHBOQQAWMT-NSHDSACASA-N 1 0 349.435 2.173 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN(C)CC(F)F ZINC000599091768 469115579 /nfs/dbraw/zinc/11/55/79/469115579.db2.gz ZLFKDILXWQIYEQ-LLVKDONJSA-N 1 0 344.362 2.098 20 5 EEBDRO COc1cccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000596055629 469130046 /nfs/dbraw/zinc/13/00/46/469130046.db2.gz TZWUPUSYSVXGQA-AWEZNQCLSA-N 1 0 332.360 2.419 20 5 EEBDRO Cc1cc(C)n(CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000573699824 469190282 /nfs/dbraw/zinc/19/02/82/469190282.db2.gz TVYSJEWKVSXHAJ-UHFFFAOYSA-N 1 0 345.403 2.417 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596231802 469215382 /nfs/dbraw/zinc/21/53/82/469215382.db2.gz NIYIODWRMHDIQH-WBMJQRKESA-N 1 0 329.404 2.984 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000596269588 469227273 /nfs/dbraw/zinc/22/72/73/469227273.db2.gz UQOYUSQLRISBRV-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000615496292 469249836 /nfs/dbraw/zinc/24/98/36/469249836.db2.gz SFFIVPMFTVXIAE-NEPJUHHUSA-N 1 0 332.404 2.016 20 5 EEBDRO NC(=O)c1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558210 469300394 /nfs/dbraw/zinc/30/03/94/469300394.db2.gz OZQKWGMSXOKSKX-OAHLLOKOSA-N 1 0 340.383 2.380 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCSCC2)CC1 ZINC000602470370 469329730 /nfs/dbraw/zinc/32/97/30/469329730.db2.gz CXQRCQMJDOKIEG-UHFFFAOYSA-N 1 0 349.456 2.496 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602488709 469337685 /nfs/dbraw/zinc/33/76/85/469337685.db2.gz XYSMBKYEKXGUDO-SECBINFHSA-N 1 0 342.193 2.229 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602494734 469339509 /nfs/dbraw/zinc/33/95/09/469339509.db2.gz JAENKQFGHXDOOA-QMMMGPOBSA-N 1 0 330.182 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000602509140 469343459 /nfs/dbraw/zinc/34/34/59/469343459.db2.gz OOFCPASNVLNHIW-UHFFFAOYSA-N 1 0 342.399 2.159 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602515496 469345606 /nfs/dbraw/zinc/34/56/06/469345606.db2.gz WTYLNODFUXQOHD-YUMQZZPRSA-N 1 0 330.182 2.213 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cnn(C)c1 ZINC000602554276 469358776 /nfs/dbraw/zinc/35/87/76/469358776.db2.gz DXZQVJCYNNOVSR-LBPRGKRZSA-N 1 0 330.392 2.043 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000610112105 469981864 /nfs/dbraw/zinc/98/18/64/469981864.db2.gz WHZNZDMJOVZARM-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000610296529 470001524 /nfs/dbraw/zinc/00/15/24/470001524.db2.gz ALKAZCADLSVMFH-CQSZACIVSA-N 1 0 328.372 2.269 20 5 EEBDRO COc1ccc(OCC[NH2+][C@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610369442 470008491 /nfs/dbraw/zinc/00/84/91/470008491.db2.gz OBHVTKBBNXHISY-GOSISDBHSA-N 1 0 346.383 2.480 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602538197 485641226 /nfs/dbraw/zinc/64/12/26/485641226.db2.gz AGVRULITKXDGMN-GZMMTYOYSA-N 1 0 349.284 2.333 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581055 533865903 /nfs/dbraw/zinc/86/59/03/533865903.db2.gz GNESQZUYBLGGTG-UPJWGTAASA-N 1 0 334.420 2.472 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190163858 534306854 /nfs/dbraw/zinc/30/68/54/534306854.db2.gz MCAPYCOHCQXVFN-OAHLLOKOSA-N 1 0 344.371 2.491 20 5 EEBDRO CC1([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183865495 528053281 /nfs/dbraw/zinc/05/32/81/528053281.db2.gz YPNIIWZXZIFFGI-ZBFHGGJFSA-N 1 0 336.388 2.103 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730807379 577058487 /nfs/dbraw/zinc/05/84/87/577058487.db2.gz VIRLQRGKVMTNMC-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO COC1CCC([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000734474720 577301667 /nfs/dbraw/zinc/30/16/67/577301667.db2.gz DCYQXVQCCWEIOS-UHFFFAOYSA-N 1 0 335.360 2.350 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000774196981 577388474 /nfs/dbraw/zinc/38/84/74/577388474.db2.gz HJHLYBXRFZBCQU-MGPQQGTHSA-N 1 0 334.376 2.500 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)CC1CC1)CCC2 ZINC000774258997 577392122 /nfs/dbraw/zinc/39/21/22/577392122.db2.gz VMCZEDXQBAGGIA-MRXNPFEDSA-N 1 0 338.429 2.387 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000776274463 577456351 /nfs/dbraw/zinc/45/63/51/577456351.db2.gz IAGDUVAMFBNXMB-BXUZGUMPSA-N 1 0 327.344 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCn2cnc3ccccc32)cc1 ZINC000776277807 577456505 /nfs/dbraw/zinc/45/65/05/577456505.db2.gz OZVFDTGDXZXODF-KRWDZBQOSA-N 1 0 326.356 2.268 20 5 EEBDRO COCCOc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000751501851 577754349 /nfs/dbraw/zinc/75/43/49/577754349.db2.gz PNBYENLBLUGIDT-KRWDZBQOSA-N 1 0 346.383 2.443 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000751941446 577762852 /nfs/dbraw/zinc/76/28/52/577762852.db2.gz OTTFKJLHHNMYJD-NEPJUHHUSA-N 1 0 332.360 2.051 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749800277 577981963 /nfs/dbraw/zinc/98/19/63/577981963.db2.gz RFZZYOHOPMTMLC-HUUCEWRRSA-N 1 0 343.387 2.169 20 5 EEBDRO C[C@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000120316393 674901896 /nfs/dbraw/zinc/90/18/96/674901896.db2.gz FUBBUVIHLWPYQF-LLVKDONJSA-N 1 0 347.462 2.199 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000891348582 676417042 /nfs/dbraw/zinc/41/70/42/676417042.db2.gz QARRHLYJUUCVJC-AWEZNQCLSA-N 1 0 343.387 2.179 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001021931170 676551721 /nfs/dbraw/zinc/55/17/21/676551721.db2.gz SOXIIGAMRYXTRN-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cn1 ZINC001021992150 676572673 /nfs/dbraw/zinc/57/26/73/676572673.db2.gz CIVLJNDPRXKWAN-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891607002 676716548 /nfs/dbraw/zinc/71/65/48/676716548.db2.gz KTLBKWIXYPZUTN-GOSISDBHSA-N 1 0 346.431 2.313 20 5 EEBDRO O=C(Cc1cncs1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022241638 676758963 /nfs/dbraw/zinc/75/89/63/676758963.db2.gz VHTDSMCLEIWKTI-BETUJISGSA-N 1 0 346.412 2.031 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000892106467 678010295 /nfs/dbraw/zinc/01/02/95/678010295.db2.gz VVWMDNNCUICVRS-GXTWGEPZSA-N 1 0 337.420 2.471 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022626276 678024759 /nfs/dbraw/zinc/02/47/59/678024759.db2.gz JUCGVSFSQCFHJV-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000892187077 678228310 /nfs/dbraw/zinc/22/83/10/678228310.db2.gz IFSRYYHEXBUOID-ZOBORPQBSA-N 1 0 332.404 2.343 20 5 EEBDRO O=C(Cc1cscn1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022817685 678598580 /nfs/dbraw/zinc/59/85/80/678598580.db2.gz ASLSFDVJZPXKDL-BETUJISGSA-N 1 0 346.412 2.031 20 5 EEBDRO COc1c(O)ccc(CNC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000892679840 682471072 /nfs/dbraw/zinc/47/10/72/682471072.db2.gz RLXSYYNFRNITRP-UHFFFAOYSA-N 1 0 335.404 2.416 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894707784 683043623 /nfs/dbraw/zinc/04/36/23/683043623.db2.gz PFJQBTMTGAZXJA-MJBXVCDLSA-N 1 0 336.388 2.434 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[N@H+](C)CCN1C ZINC000895248222 684374735 /nfs/dbraw/zinc/37/47/35/684374735.db2.gz KQWSWUSHYKISIH-SJKOYZFVSA-N 1 0 329.404 2.189 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985287719 686230940 /nfs/dbraw/zinc/23/09/40/686230940.db2.gz SIKBXHSXWXUGEI-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cocn2)CC1 ZINC000985325273 686324965 /nfs/dbraw/zinc/32/49/65/686324965.db2.gz DUUMJOWDWBDHPW-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1c1cc[nH+]cc1 ZINC000893447872 687607815 /nfs/dbraw/zinc/60/78/15/687607815.db2.gz LZOKHOZPHXNZRH-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2CCc3ccccc32)cc1 ZINC000905575714 1189784467 /nfs/dbraw/zinc/78/44/67/1189784467.db2.gz KCHRYYCXOGWVJW-GOSISDBHSA-N 1 0 327.384 2.281 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000872037929 1198033586 /nfs/dbraw/zinc/03/35/86/1198033586.db2.gz HDVLEMWPYNZWTR-HZMBPMFUSA-N 1 0 336.417 2.434 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000825595267 1198147468 /nfs/dbraw/zinc/14/74/68/1198147468.db2.gz PVGILIMFPMMDRS-UHFFFAOYSA-N 1 0 349.431 2.478 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000865925839 1198426540 /nfs/dbraw/zinc/42/65/40/1198426540.db2.gz NJMHZGGZCKARPY-ZDUSSCGKSA-N 1 0 332.404 2.400 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000873105005 1198501750 /nfs/dbraw/zinc/50/17/50/1198501750.db2.gz UHFQIARIKZQZLM-ZDUSSCGKSA-N 1 0 326.418 2.269 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000810066273 1199256507 /nfs/dbraw/zinc/25/65/07/1199256507.db2.gz JBARCHOPTHSPGB-LBPRGKRZSA-N 1 0 345.321 2.485 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[NH+](C3CCC3)CC2)o1 ZINC000878104499 1200261380 /nfs/dbraw/zinc/26/13/80/1200261380.db2.gz MYNUFUJXOKFSKW-UHFFFAOYSA-N 1 0 343.387 2.315 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880298278 1201451084 /nfs/dbraw/zinc/45/10/84/1201451084.db2.gz XBQFLIXXTLDZCB-LLVKDONJSA-N 1 0 325.340 2.223 20 5 EEBDRO COc1ccc(C[N@H+](CCO)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000880569562 1201525432 /nfs/dbraw/zinc/52/54/32/1201525432.db2.gz HNNYRHHENJCDGM-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866514184 1201537211 /nfs/dbraw/zinc/53/72/11/1201537211.db2.gz VMVNKFAQZHTDCQ-ZDUSSCGKSA-N 1 0 337.395 2.371 20 5 EEBDRO C[NH2+]CCOc1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000884081842 1202227000 /nfs/dbraw/zinc/22/70/00/1202227000.db2.gz LORCGIGRFQBBAX-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095574656 1205879488 /nfs/dbraw/zinc/87/94/88/1205879488.db2.gz HRXCEPCGPACXMT-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO C[C@H](C(=O)NCc1cc(N(C)C)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000927698754 1206292319 /nfs/dbraw/zinc/29/23/19/1206292319.db2.gz DMOYXTADNFWHOJ-LBPRGKRZSA-N 1 0 328.372 2.476 20 5 EEBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000929949884 1206520844 /nfs/dbraw/zinc/52/08/44/1206520844.db2.gz CMCCMKVPVITKQF-GVRJEKJASA-N 1 0 325.453 2.447 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931046021 1206602460 /nfs/dbraw/zinc/60/24/60/1206602460.db2.gz RWIYMKSVNMGVMY-GWCFXTLKSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000931044832 1206602503 /nfs/dbraw/zinc/60/25/03/1206602503.db2.gz BIUVEYPCGPDNIG-RISCZKNCSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(N1CCOCC1)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000934054006 1207891125 /nfs/dbraw/zinc/89/11/25/1207891125.db2.gz KPHJKJGAHWPUKM-UHFFFAOYSA-N 1 0 347.415 2.246 20 5 EEBDRO C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934233339 1207927876 /nfs/dbraw/zinc/92/78/76/1207927876.db2.gz JUGVYBJZRGWSQQ-GUYCJALGSA-N 1 0 340.383 2.316 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001114822718 1215559596 /nfs/dbraw/zinc/55/95/96/1215559596.db2.gz LTKJSUBTTHOBAM-HDJSIYSDSA-N 1 0 346.431 2.386 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cn1 ZINC001020091834 1229479764 /nfs/dbraw/zinc/47/97/64/1229479764.db2.gz CIVLJNDPRXKWAN-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO CC(C)(CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000119504081 1229535985 /nfs/dbraw/zinc/53/59/85/1229535985.db2.gz PJHLZFQQYDNWNX-UHFFFAOYSA-N 1 0 347.462 2.199 20 5 EEBDRO Cc1ccc(F)cc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045435776 1233744237 /nfs/dbraw/zinc/74/42/37/1233744237.db2.gz ASYOWXCFPWONQN-HZPDHXFCSA-N 1 0 349.406 2.270 20 5 EEBDRO Cc1cc(N2CCC(N(C)C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001096125393 1235144229 /nfs/dbraw/zinc/14/42/29/1235144229.db2.gz ZBYDNYGMSBIJDP-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607381 1238087507 /nfs/dbraw/zinc/08/75/07/1238087507.db2.gz UFQYUFNCHACDDI-QBPKDAKJSA-N 1 0 337.464 2.354 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286597 1240177562 /nfs/dbraw/zinc/17/75/62/1240177562.db2.gz BYCIDFGSIHRFRQ-NEPJUHHUSA-N 1 0 326.418 2.459 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097212345 1243832131 /nfs/dbraw/zinc/83/21/31/1243832131.db2.gz RKKCQRQSTWUESD-BETUJISGSA-N 1 0 338.383 2.135 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000856479517 1293540865 /nfs/dbraw/zinc/54/08/65/1293540865.db2.gz MFVALRLZOVOPJA-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC000931345539 1297148816 /nfs/dbraw/zinc/14/88/16/1297148816.db2.gz SFQBKCUXFNHODM-HOTGVXAUSA-N 1 0 343.387 2.095 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccn3c[nH+]cc3c2)n1 ZINC001217332501 1297417951 /nfs/dbraw/zinc/41/79/51/1297417951.db2.gz SKFAQMLIQXDDDL-UHFFFAOYSA-N 1 0 326.247 2.494 20 5 EEBDRO O=[N+]([O-])c1cc(O[C@H]2C=CC[NH2+]C2)ccc1I ZINC001218334996 1297635749 /nfs/dbraw/zinc/63/57/49/1297635749.db2.gz SKHOMSGLQLLSHC-VIFPVBQESA-N 1 0 346.124 2.106 20 5 EEBDRO CSCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222325406 1299480113 /nfs/dbraw/zinc/48/01/13/1299480113.db2.gz QGXXEMDJEQVXDY-UHFFFAOYSA-N 1 0 337.445 2.286 20 5 EEBDRO C[NH+]1CCN(CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001224548640 1300641329 /nfs/dbraw/zinc/64/13/29/1300641329.db2.gz DVLIKTXRJCVZJC-AWEZNQCLSA-N 1 0 347.337 2.462 20 5 EEBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001224853635 1300759001 /nfs/dbraw/zinc/75/90/01/1300759001.db2.gz WRQPBOCQFSXQJE-ZIAGYGMSSA-N 1 0 331.477 2.470 20 5 EEBDRO O=[N+]([O-])c1cnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC001226734289 1301531628 /nfs/dbraw/zinc/53/16/28/1301531628.db2.gz XJWDVMITFUKIFC-MRXNPFEDSA-N 1 0 344.371 2.055 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001227424810 1301821710 /nfs/dbraw/zinc/82/17/10/1301821710.db2.gz IVFTTYINMPZLBQ-CYBMUJFWSA-N 1 0 340.399 2.261 20 5 EEBDRO C[C@@H](c1ccccn1)N1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228659064 1302363442 /nfs/dbraw/zinc/36/34/42/1302363442.db2.gz DFYHFKIUXZLXIZ-STQMWFEESA-N 1 0 329.360 2.384 20 5 EEBDRO CC[N@@H+]1CC[C@@H](Oc2cc(NC(C)=O)c([N+](=O)[O-])cc2C(C)=O)C1 ZINC001229129114 1302632806 /nfs/dbraw/zinc/63/28/06/1302632806.db2.gz HOLAHEQVVMPZAP-GFCCVEGCSA-N 1 0 335.360 2.229 20 5 EEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH+]1CCCC1 ZINC000780584081 1303676222 /nfs/dbraw/zinc/67/62/22/1303676222.db2.gz ZESDKTHFFXKMCT-STQMWFEESA-N 1 0 349.416 2.147 20 5 EEBDRO C[NH+](C)CCCC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112360193 1304491845 /nfs/dbraw/zinc/49/18/45/1304491845.db2.gz HGHKYRHQNZGQDW-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001233664993 1304550802 /nfs/dbraw/zinc/55/08/02/1304550802.db2.gz COCQJOQEVGCNSS-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO COCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115368316 1304995279 /nfs/dbraw/zinc/99/52/79/1304995279.db2.gz MCQIZRTZQBCRNL-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO C[C@H](C[NH+](C)C)Oc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21 ZINC001234750261 1305018453 /nfs/dbraw/zinc/01/84/53/1305018453.db2.gz IQDPNLMZCRVSIU-SECBINFHSA-N 1 0 345.351 2.392 20 5 EEBDRO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001120874088 1309805788 /nfs/dbraw/zinc/80/57/88/1309805788.db2.gz IQVZBIJUPMTYOQ-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(CN[C@@H]4CC[NH2+]C4)n3)nc12 ZINC001247697704 1310683433 /nfs/dbraw/zinc/68/34/33/1310683433.db2.gz HZOZPWCTJXYGFR-CQSZACIVSA-N 1 0 346.394 2.285 20 5 EEBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001123835571 1310723812 /nfs/dbraw/zinc/72/38/12/1310723812.db2.gz BXGMDWONOYPCIG-FVQBIDKESA-N 1 0 331.416 2.374 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831722010 1314609030 /nfs/dbraw/zinc/60/90/30/1314609030.db2.gz QDDVZWMFAROQDI-ZIAGYGMSSA-N 1 0 332.404 2.029 20 5 EEBDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839687940 1315233765 /nfs/dbraw/zinc/23/37/65/1315233765.db2.gz NDCKLNVDPORDIF-XLNGHYISSA-N 1 0 331.416 2.163 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840951988 1315444513 /nfs/dbraw/zinc/44/45/13/1315444513.db2.gz GHQQJPFCSXDRAJ-RYUDHWBXSA-N 1 0 347.824 2.009 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000841857486 1315625099 /nfs/dbraw/zinc/62/50/99/1315625099.db2.gz ZQNPFRUIWCGLBO-JTQLQIEISA-N 1 0 326.784 2.047 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000842479807 1315713895 /nfs/dbraw/zinc/71/38/95/1315713895.db2.gz YTKWHXLFXYSOOB-NVXWUHKLSA-N 1 0 337.395 2.452 20 5 EEBDRO COc1cc(OCc2nc([C@@H]3CCC[NH2+]C3)no2)ccc1[N+](=O)[O-] ZINC000842667174 1315749949 /nfs/dbraw/zinc/74/99/49/1315749949.db2.gz HSHTZJRHQUEYEN-SNVBAGLBSA-N 1 0 334.332 2.032 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCCCCCC[NH3+])c1[N+](=O)[O-] ZINC000842919128 1315798843 /nfs/dbraw/zinc/79/88/43/1315798843.db2.gz KDDMMCGDXRJNAE-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO Cc1ccc([C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000843087303 1315838954 /nfs/dbraw/zinc/83/89/54/1315838954.db2.gz LOTCJPBOQPJELK-AWEZNQCLSA-N 1 0 333.344 2.148 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000843100625 1315841821 /nfs/dbraw/zinc/84/18/21/1315841821.db2.gz DUSMREFALAPCMC-YMRXKLBXSA-N 1 0 334.347 2.479 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843356047 1315898567 /nfs/dbraw/zinc/89/85/67/1315898567.db2.gz PKTHSLFANNGHDF-CQSZACIVSA-N 1 0 328.800 2.150 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843364401 1315901380 /nfs/dbraw/zinc/90/13/80/1315901380.db2.gz HVWOWBLUEURHRH-DCAQKATOSA-N 1 0 340.811 2.244 20 5 EEBDRO COc1ccccc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150170074 1316189243 /nfs/dbraw/zinc/18/92/43/1316189243.db2.gz JZRKGKQBKGBUCW-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO O=C(Cc1cccs1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154194721 1316989556 /nfs/dbraw/zinc/98/95/56/1316989556.db2.gz DSRIMAVHCIMTFK-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4cc([N+](=O)[O-])ccn4)nc32)CC1 ZINC001251714327 1317491189 /nfs/dbraw/zinc/49/11/89/1317491189.db2.gz VQCNCUZOHMLXJQ-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc21 ZINC001155638435 1317683043 /nfs/dbraw/zinc/68/30/43/1317683043.db2.gz SMEYWYMIOKUNFC-XUJVJEKNSA-N 1 0 334.763 2.338 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)c3ccccn3)CC2)cc1 ZINC001254469707 1318083132 /nfs/dbraw/zinc/08/31/32/1318083132.db2.gz XSLZQSHWHRGNLF-GOSISDBHSA-N 1 0 342.399 2.282 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C(=O)NCc2ccccc21 ZINC001254539990 1318115448 /nfs/dbraw/zinc/11/54/48/1318115448.db2.gz OBUUYGINIVSRLF-SJKOYZFVSA-N 1 0 325.368 2.487 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC2=O)CC1 ZINC001254560405 1318120212 /nfs/dbraw/zinc/12/02/12/1318120212.db2.gz RUNCLNREODCLKZ-ZDUSSCGKSA-N 1 0 333.388 2.442 20 5 EEBDRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572404 1318125463 /nfs/dbraw/zinc/12/54/63/1318125463.db2.gz MQQYKBNUTSUIPT-HNNXBMFYSA-N 1 0 346.408 2.255 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001254571654 1318126666 /nfs/dbraw/zinc/12/66/66/1318126666.db2.gz ZWVJKVYFSJCMMA-ZFWWWQNUSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3cccn3)nc1)C2 ZINC001254581984 1318131377 /nfs/dbraw/zinc/13/13/77/1318131377.db2.gz REZLGXFTGVFCOS-INIZCTEOSA-N 1 0 335.367 2.433 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCN(c3ncccn3)CC1)C2 ZINC001254603740 1318141033 /nfs/dbraw/zinc/14/10/33/1318141033.db2.gz QNLJRJJSKNCHML-QGZVFWFLSA-N 1 0 339.399 2.064 20 5 EEBDRO Cc1ccc(-c2ccc(NC(=N)NCCCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC001157099278 1318401754 /nfs/dbraw/zinc/40/17/54/1318401754.db2.gz NUSOKCQXIXGEMF-UHFFFAOYSA-N 1 0 343.391 2.035 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001157265623 1318531134 /nfs/dbraw/zinc/53/11/34/1318531134.db2.gz KGDIHVQODPILPL-XHDPSFHLSA-N 1 0 343.387 2.077 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC001256085267 1318642880 /nfs/dbraw/zinc/64/28/80/1318642880.db2.gz MMZHRBPAXCCKIS-INIZCTEOSA-N 1 0 348.447 2.256 20 5 EEBDRO COc1cc(N2CCC(n3ccc(CC[NH3+])n3)CC2)ccc1[N+](=O)[O-] ZINC001256086917 1318645189 /nfs/dbraw/zinc/64/51/89/1318645189.db2.gz IKZQCPADXVMSIK-UHFFFAOYSA-N 1 0 345.403 2.143 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093157 1318645704 /nfs/dbraw/zinc/64/57/04/1318645704.db2.gz HHCAUDODGWDNRT-QGZVFWFLSA-N 1 0 335.404 2.029 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157472710 1318665082 /nfs/dbraw/zinc/66/50/82/1318665082.db2.gz HKLQZLYJBGWIAI-KRWDZBQOSA-N 1 0 348.403 2.279 20 5 EEBDRO Nc1nc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC001158136288 1319036485 /nfs/dbraw/zinc/03/64/85/1319036485.db2.gz HRIBCBFENPVSSA-UHFFFAOYSA-N 1 0 346.778 2.456 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H](C2CCC2)C(F)(F)F)nc1C1C[NH2+]C1 ZINC001158406375 1319224680 /nfs/dbraw/zinc/22/46/80/1319224680.db2.gz DZHIYLKXODSOEJ-NSHDSACASA-N 1 0 331.298 2.215 20 5 EEBDRO COCCC1(CNc2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]CC1 ZINC001161505239 1320521478 /nfs/dbraw/zinc/52/14/78/1320521478.db2.gz SMSSTCIYIACSMF-UHFFFAOYSA-N 1 0 345.403 2.356 20 5 EEBDRO Cc1nc(Cl)nc(N2CCC([NH3+])(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC001161581438 1320546676 /nfs/dbraw/zinc/54/66/76/1320546676.db2.gz QORNBKDQELZLTJ-UHFFFAOYSA-N 1 0 348.794 2.196 20 5 EEBDRO Cc1ccnc(NCC2(c3cccnc3)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162035721 1320728419 /nfs/dbraw/zinc/72/84/19/1320728419.db2.gz DTMGXHGGOASGHK-UHFFFAOYSA-N 1 0 327.388 2.427 20 5 EEBDRO COCCC1([NH3+])CCN(c2nc(Cl)cc(C)c2[N+](=O)[O-])CC1 ZINC001162041463 1320730271 /nfs/dbraw/zinc/73/02/71/1320730271.db2.gz JJBVICJPYWFNMO-UHFFFAOYSA-N 1 0 328.800 2.286 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162816132 1320966892 /nfs/dbraw/zinc/96/68/92/1320966892.db2.gz VANFMPYKDUSCLS-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO COC(=O)[C@@H](Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162950230 1320993516 /nfs/dbraw/zinc/99/35/16/1320993516.db2.gz OSMWKLWWLSUGCB-NNNHXZLVSA-N 1 0 327.768 2.278 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC001163169883 1321057302 /nfs/dbraw/zinc/05/73/02/1321057302.db2.gz AAYWRCFFDOCVOX-UISBYWKRSA-N 1 0 346.309 2.045 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)ccnc21 ZINC001163327051 1321098686 /nfs/dbraw/zinc/09/86/86/1321098686.db2.gz IQCFFMQKZRYDDU-YVEFUNNKSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163363984 1321105978 /nfs/dbraw/zinc/10/59/78/1321105978.db2.gz BHDQCKCZVZEGRU-YPMHNXCESA-N 1 0 336.392 2.307 20 5 EEBDRO COc1cc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC001165122859 1321459059 /nfs/dbraw/zinc/45/90/59/1321459059.db2.gz UFCJSRMTYCCMMG-UHFFFAOYSA-N 1 0 340.383 2.321 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@H]2C1 ZINC001165152586 1321466705 /nfs/dbraw/zinc/46/67/05/1321466705.db2.gz YXNMCOHFQPDBSJ-AOOOYVTPSA-N 1 0 333.779 2.189 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165409156 1321519033 /nfs/dbraw/zinc/51/90/33/1321519033.db2.gz XJSJBXLVDUXKNL-UHFFFAOYSA-N 1 0 343.840 2.196 20 5 EEBDRO Cc1ncccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165451263 1321528555 /nfs/dbraw/zinc/52/85/55/1321528555.db2.gz TUMKDNIYTVZFLK-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001262041557 1322225313 /nfs/dbraw/zinc/22/53/13/1322225313.db2.gz BOTZRTKOPHLQSK-QGZVFWFLSA-N 1 0 341.367 2.390 20 5 EEBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@@H+]3CCC[C@@H]3C)c2c1 ZINC001306982510 1331505447 /nfs/dbraw/zinc/50/54/47/1331505447.db2.gz GHFJUFGKYHIREW-LBPRGKRZSA-N 1 0 330.388 2.470 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C(C)(C)C)CC1 ZINC001319512897 1332714586 /nfs/dbraw/zinc/71/45/86/1332714586.db2.gz LIPWOYSRVVVESY-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C(C)(C)C)CC1 ZINC001319908802 1332795821 /nfs/dbraw/zinc/79/58/21/1332795821.db2.gz XHXQCZKYBMQMNP-CYBMUJFWSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(F)c1 ZINC001320619281 1332922639 /nfs/dbraw/zinc/92/26/39/1332922639.db2.gz SSGHKKGCMTWOBG-JOYOIKCWSA-N 1 0 342.758 2.296 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001609113770 1351849655 /nfs/dbraw/zinc/84/96/55/1351849655.db2.gz GUSSURPNLHWWCO-LBPRGKRZSA-N 1 0 345.407 2.309 20 5 EEBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC001609275254 1351918572 /nfs/dbraw/zinc/91/85/72/1351918572.db2.gz QCPLICJYKANSNZ-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC001609278825 1351920361 /nfs/dbraw/zinc/92/03/61/1351920361.db2.gz XXHXWGAXJUYERB-ZDUSSCGKSA-N 1 0 348.407 2.004 20 5 EEBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001328599213 1334486790 /nfs/dbraw/zinc/48/67/90/1334486790.db2.gz YNUDEFYYSPSODX-CYBMUJFWSA-N 1 0 349.387 2.341 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@H]3CSCC[NH2+]3)c2c1 ZINC001331912716 1335672714 /nfs/dbraw/zinc/67/27/14/1335672714.db2.gz XYHGRSIMOCBVOH-QMMMGPOBSA-N 1 0 339.808 2.308 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCSC1 ZINC001332419390 1335820863 /nfs/dbraw/zinc/82/08/63/1335820863.db2.gz BCFNIQRIIJTWIH-AWEZNQCLSA-N 1 0 342.396 2.293 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCC(C2CC2)CC1 ZINC001609602319 1352031697 /nfs/dbraw/zinc/03/16/97/1352031697.db2.gz IUPSUOCNSMWQPN-UHFFFAOYSA-N 1 0 328.376 2.397 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H](F)C2)cc1 ZINC001336841708 1336603699 /nfs/dbraw/zinc/60/36/99/1336603699.db2.gz XZQLHAZZKKBDIS-RYUDHWBXSA-N 1 0 330.381 2.239 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848491636 1338708889 /nfs/dbraw/zinc/70/88/89/1338708889.db2.gz XKFBNAGYAGOCPQ-OAHLLOKOSA-N 1 0 329.404 2.442 20 5 EEBDRO [NH3+]CCN(CCCCCCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 ZINC001577740949 1344189122 /nfs/dbraw/zinc/18/91/22/1344189122.db2.gz YSNGOFAPFMNBEJ-UHFFFAOYSA-N 1 0 332.408 2.281 20 5 EEBDRO C[NH2+]Cc1ccccc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578741431 1344299108 /nfs/dbraw/zinc/29/91/08/1344299108.db2.gz PITCTUSPFHLKFW-UHFFFAOYSA-N 1 0 348.790 2.480 20 5 EEBDRO COC[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CCCC[NH2+]1 ZINC001578977589 1344326013 /nfs/dbraw/zinc/32/60/13/1344326013.db2.gz BRZYLYZQVSZZLX-QGZVFWFLSA-N 1 0 344.371 2.240 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001579877625 1344424949 /nfs/dbraw/zinc/42/49/49/1344424949.db2.gz VXLSALFKPDXMIM-LBPRGKRZSA-N 1 0 326.356 2.076 20 5 EEBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC2(C1)CC[NH2+]C2 ZINC001580811731 1344562433 /nfs/dbraw/zinc/56/24/33/1344562433.db2.gz WDAPICBLDOFBAY-UHFFFAOYSA-N 1 0 329.278 2.049 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590437207 1349326192 /nfs/dbraw/zinc/32/61/92/1349326192.db2.gz IYVGJMPUAOHMIW-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)cc1-c1nn[nH]n1 ZINC001593478649 1349810923 /nfs/dbraw/zinc/81/09/23/1349810923.db2.gz JFXODQDNYXOERA-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001593479937 1349813480 /nfs/dbraw/zinc/81/34/80/1349813480.db2.gz CLDSYFPTJZEQNT-STQMWFEESA-N 1 0 343.391 2.204 20 5 EEBDRO Cc1cc(NCC[N@H+]2CCCC[C@H]2C)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605734627 1351219589 /nfs/dbraw/zinc/21/95/89/1351219589.db2.gz HTZZSOBGSFDBBU-GFCCVEGCSA-N 1 0 345.407 2.370 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC001607081698 1351410238 /nfs/dbraw/zinc/41/02/38/1351410238.db2.gz LEJMEIKKWZKLSM-UHFFFAOYSA-N 1 0 342.334 2.246 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@]1(C)CO ZINC000852701208 1369295192 /nfs/dbraw/zinc/29/51/92/1369295192.db2.gz AAIKDBMEZUFXEQ-BZNIZROVSA-N 1 0 339.367 2.013 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000781522739 1371235877 /nfs/dbraw/zinc/23/58/77/1371235877.db2.gz FXXVPCVPGZYGEI-AWEZNQCLSA-N 1 0 347.337 2.245 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000829965332 1372303962 /nfs/dbraw/zinc/30/39/62/1372303962.db2.gz PPABOIJGGICVCP-DLBZAZTESA-N 1 0 340.383 2.476 20 5 EEBDRO CC(C)(C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562880 1372336369 /nfs/dbraw/zinc/33/63/69/1372336369.db2.gz ATPZBUGDOBAOTR-BBRMVZONSA-N 1 0 349.431 2.242 20 5 EEBDRO [NH3+]CC1(O)CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001580247924 1403852499 /nfs/dbraw/zinc/85/24/99/1403852499.db2.gz WWKXRLLNOGHXQP-UHFFFAOYSA-N 1 0 336.779 2.086 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC001580268769 1403855251 /nfs/dbraw/zinc/85/52/51/1403855251.db2.gz MXTBKZBJSDSBGF-KCJUWKMLSA-N 1 0 332.282 2.196 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164642506 719201136 /nfs/dbraw/zinc/20/11/36/719201136.db2.gz WAZMNJJEVHNCSB-MNOVXSKESA-N 1 0 331.376 2.075 20 5 EEBDRO COc1cc(C)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164772156 721287450 /nfs/dbraw/zinc/28/74/50/721287450.db2.gz FQGXTXKEDGLBKI-UHFFFAOYSA-N 1 0 332.404 2.229 20 5 EEBDRO CC[NH+](CC)C1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001165052634 722003187 /nfs/dbraw/zinc/00/31/87/722003187.db2.gz ASTREZDDDYLDAO-UHFFFAOYSA-N 1 0 328.800 2.192 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000840252603 782457975 /nfs/dbraw/zinc/45/79/75/782457975.db2.gz XSUJRRTZDHHLOJ-GXSJLCMTSA-N 1 0 346.309 2.284 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893875789 780265910 /nfs/dbraw/zinc/26/59/10/780265910.db2.gz FJEJLWYETKXLNZ-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO COC(=O)c1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001227911734 783304950 /nfs/dbraw/zinc/30/49/50/783304950.db2.gz NGGFDEJOMUJUFY-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO COc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000906355786 783861925 /nfs/dbraw/zinc/86/19/25/783861925.db2.gz JIMIZTLPMZWUCT-UHFFFAOYSA-N 1 0 335.404 2.484 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1[nH]ccc1C1CC1 ZINC001129082522 783983846 /nfs/dbraw/zinc/98/38/46/783983846.db2.gz KMMMBABXWQJHTG-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO C[NH+]1CCC2(CCCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)CC1 ZINC000817119520 784515964 /nfs/dbraw/zinc/51/59/64/784515964.db2.gz XPHBWUYRIASKNW-UHFFFAOYSA-N 1 0 332.404 2.006 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818014889 785173665 /nfs/dbraw/zinc/17/36/65/785173665.db2.gz PQFWGUXQKKGSMI-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979943 785348050 /nfs/dbraw/zinc/34/80/50/785348050.db2.gz XSXQVUOFLKGXOD-PBHICJAKSA-N 1 0 341.367 2.023 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000818985120 785352821 /nfs/dbraw/zinc/35/28/21/785352821.db2.gz OMBZPTJQQVBHRP-QGZVFWFLSA-N 1 0 346.383 2.478 20 5 EEBDRO O=C(CC[NH2+]C[C@H]1CSCCS1)Nc1ccccc1[N+](=O)[O-] ZINC000819140872 785419913 /nfs/dbraw/zinc/41/99/13/785419913.db2.gz FKKJWNCTJCMASJ-NSHDSACASA-N 1 0 341.458 2.362 20 5 EEBDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819126288 785434576 /nfs/dbraw/zinc/43/45/76/785434576.db2.gz JXDGLAWDSWLLLU-AEFFLSMTSA-N 1 0 330.384 2.476 20 5 EEBDRO C[C@H](O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000819130175 785435630 /nfs/dbraw/zinc/43/56/30/785435630.db2.gz GSLLTBICOMKBDN-XJKSGUPXSA-N 1 0 346.383 2.178 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819165050 785441060 /nfs/dbraw/zinc/44/10/60/785441060.db2.gz ZIAMFDRVJPEGJT-NVXWUHKLSA-N 1 0 347.415 2.009 20 5 EEBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000819338848 785513197 /nfs/dbraw/zinc/51/31/97/785513197.db2.gz CICJTSALJOXZNC-ZWKOTPCHSA-N 1 0 330.384 2.476 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107205147 786396809 /nfs/dbraw/zinc/39/68/09/786396809.db2.gz VZFVJNVQEGLFMP-VOTSOKGWSA-N 1 0 334.420 2.329 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000821354767 786712686 /nfs/dbraw/zinc/71/26/86/786712686.db2.gz NGWCLAGXQFWRKV-UONOGXRCSA-N 1 0 337.445 2.329 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107321615 786858919 /nfs/dbraw/zinc/85/89/19/786858919.db2.gz HNGALVOPIUUCLI-PLNGDYQASA-N 1 0 338.383 2.160 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107321617 786859002 /nfs/dbraw/zinc/85/90/02/786859002.db2.gz HNGALVOPIUUCLI-SNAWJCMRSA-N 1 0 338.383 2.160 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825035870 788408712 /nfs/dbraw/zinc/40/87/12/788408712.db2.gz UKDLACCFGSVUDA-IAGOWNOFSA-N 1 0 349.431 2.255 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCOCC1 ZINC000129640993 789287120 /nfs/dbraw/zinc/28/71/20/789287120.db2.gz JKOBMIKLLPZTPS-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923433108 789545222 /nfs/dbraw/zinc/54/52/22/789545222.db2.gz NKIOBRIPGUFHOE-SGTLLEGYSA-N 1 0 345.374 2.405 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000845662208 789912674 /nfs/dbraw/zinc/91/26/74/789912674.db2.gz CHUYFGDFUMPRHH-ZDUSSCGKSA-N 1 0 344.371 2.422 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171303835 791824812 /nfs/dbraw/zinc/82/48/12/791824812.db2.gz CXJPGRAJONXXJD-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001093159876 794743202 /nfs/dbraw/zinc/74/32/02/794743202.db2.gz TUINESBYUZWNOF-UHFFFAOYSA-N 1 0 346.431 2.119 20 5 EEBDRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000915627653 796337606 /nfs/dbraw/zinc/33/76/06/796337606.db2.gz VOBJRCJIJQLVJV-MRXNPFEDSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1cnc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001094700398 796540687 /nfs/dbraw/zinc/54/06/87/796540687.db2.gz ORPPZFJLTLWDFH-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1ncccn1)C1C[NH2+]C1)CC2 ZINC001172921828 797152015 /nfs/dbraw/zinc/15/20/15/797152015.db2.gz UOKRGZNWLYPRFD-HNNXBMFYSA-N 1 0 339.399 2.111 20 5 EEBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001173224877 797309205 /nfs/dbraw/zinc/30/92/05/797309205.db2.gz IOVJQZDFYQBCJG-KKBVYLPWSA-N 1 0 331.416 2.228 20 5 EEBDRO Cn1ccc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001002596955 798308041 /nfs/dbraw/zinc/30/80/41/798308041.db2.gz RCPUIJGWTDXTMS-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458659 799484084 /nfs/dbraw/zinc/48/40/84/799484084.db2.gz QLBNNAGTFXOFOR-HZPDHXFCSA-N 1 0 337.395 2.257 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001168736408 802147278 /nfs/dbraw/zinc/14/72/78/802147278.db2.gz GRTWMYYYQVBKOA-UHFFFAOYSA-N 1 0 331.298 2.208 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086311140 802714381 /nfs/dbraw/zinc/71/43/81/802714381.db2.gz UOLDHUNTGFLETC-SHTZXODSSA-N 1 0 342.399 2.232 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Br)cn2)C1 ZINC001168970955 803554410 /nfs/dbraw/zinc/55/44/10/803554410.db2.gz JIIORQZAZCUEOA-GWCFXTLKSA-N 1 0 328.210 2.422 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)nc2)C1 ZINC001168999478 803564536 /nfs/dbraw/zinc/56/45/36/803564536.db2.gz UHNVHWHRJIGTQS-DOTOQJQBSA-N 1 0 349.431 2.422 20 5 EEBDRO COc1ccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001169000595 803565833 /nfs/dbraw/zinc/56/58/33/803565833.db2.gz XWEYKIOJQIDDSV-LSDHHAIUSA-N 1 0 349.431 2.173 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169011717 803571101 /nfs/dbraw/zinc/57/11/01/803571101.db2.gz MHYJJSHQWYHBTE-MCIONIFRSA-N 1 0 327.425 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cc(Cl)ncn3)CC2)C1 ZINC001169028451 803575844 /nfs/dbraw/zinc/57/58/44/803575844.db2.gz SBYYHJGBRNZQPJ-VXGBXAGGSA-N 1 0 340.811 2.419 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037178 803580809 /nfs/dbraw/zinc/58/08/09/803580809.db2.gz QZHZUODDWXYGON-MGPQQGTHSA-N 1 0 327.425 2.373 20 5 EEBDRO CO[C@H](CN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040058 803582853 /nfs/dbraw/zinc/58/28/53/803582853.db2.gz XITFMFQRELKHHV-BHIYHBOVSA-N 1 0 347.459 2.437 20 5 EEBDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018187 803586363 /nfs/dbraw/zinc/58/63/63/803586363.db2.gz CBTJUARQTABEJR-KNIMUDFMSA-N 1 0 343.427 2.038 20 5 EEBDRO CCC1(NC(=O)OC(C)(C)C)C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047851 803593487 /nfs/dbraw/zinc/59/34/87/803593487.db2.gz RWPZYXQZEHLSKP-CHWSQXEVSA-N 1 0 327.425 2.421 20 5 EEBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169050660 803595277 /nfs/dbraw/zinc/59/52/77/803595277.db2.gz CGFXXDFQKMKNSY-SOUVJXGZSA-N 1 0 335.404 2.379 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054383 803597090 /nfs/dbraw/zinc/59/70/90/803597090.db2.gz LPVMQKUDXSRIMZ-WCFLWFBJSA-N 1 0 343.225 2.338 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788740920 807678935 /nfs/dbraw/zinc/67/89/35/807678935.db2.gz RTDVPKRTAGFPAW-NSHDSACASA-N 1 0 340.383 2.314 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000789509349 808033693 /nfs/dbraw/zinc/03/36/93/808033693.db2.gz UMCAPBRSTZHVPL-GJZGRUSLSA-N 1 0 331.376 2.249 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170327353 809892228 /nfs/dbraw/zinc/89/22/28/809892228.db2.gz QCEZPDULZHWQQS-SJKOYZFVSA-N 1 0 331.372 2.253 20 5 EEBDRO Cn1cc(Cl)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131075421 812373790 /nfs/dbraw/zinc/37/37/90/812373790.db2.gz GPGCUEQSWFRCIM-UHFFFAOYSA-N 1 0 336.779 2.106 20 5 EEBDRO Cc1nc(C)c(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001131548147 812973540 /nfs/dbraw/zinc/97/35/40/812973540.db2.gz GDZPQBQEZSSJPQ-UHFFFAOYSA-N 1 0 348.428 2.117 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522808248 1119508611 /nfs/dbraw/zinc/50/86/11/1119508611.db2.gz DBIHSKTULHJTTL-OAHLLOKOSA-N 1 0 343.383 2.164 20 5 EEBDRO CN(c1ccccc1)c1ccc(CN(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000414918189 530036430 /nfs/dbraw/zinc/03/64/30/530036430.db2.gz YFVCESSDOWHRRY-UHFFFAOYSA-N 1 0 344.415 2.116 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@@H]21 ZINC000333221184 539801859 /nfs/dbraw/zinc/80/18/59/539801859.db2.gz WBPOXGWPOUBBHL-KUHUBIRLSA-N 1 0 347.418 2.457 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000188516978 236581799 /nfs/dbraw/zinc/58/17/99/236581799.db2.gz GQOKJZWBEDOHPJ-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1C ZINC000189498044 236961509 /nfs/dbraw/zinc/96/15/09/236961509.db2.gz SOFLHQDRKGKSLH-DZGCQCFKSA-N 1 0 347.415 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC(C)(C)C1 ZINC000030196628 201065880 /nfs/dbraw/zinc/06/58/80/201065880.db2.gz BLBFOUVLWQONEE-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193598849 240227328 /nfs/dbraw/zinc/22/73/28/240227328.db2.gz UJRJEZIQOKVQMF-KCJUWKMLSA-N 1 0 342.193 2.228 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423562009 240529075 /nfs/dbraw/zinc/52/90/75/240529075.db2.gz KFZKRAWCOSHFRN-YNEHKIRRSA-N 1 0 333.388 2.193 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000423643687 240558897 /nfs/dbraw/zinc/55/88/97/240558897.db2.gz YUWNLICYVQWKOW-AWEZNQCLSA-N 1 0 349.387 2.115 20 5 EEBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423953892 240755930 /nfs/dbraw/zinc/75/59/30/240755930.db2.gz BJSLXJQMAJZYOZ-PSASIEDQSA-N 1 0 329.809 2.146 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424039459 240807104 /nfs/dbraw/zinc/80/71/04/240807104.db2.gz JYMYJEPTDHYVOE-HNNXBMFYSA-N 1 0 332.404 2.148 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000426930818 241358150 /nfs/dbraw/zinc/35/81/50/241358150.db2.gz FFMLNKJYBHCERF-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541492 242287291 /nfs/dbraw/zinc/28/72/91/242287291.db2.gz MQCOTQURUZEYJL-GJZGRUSLSA-N 1 0 332.408 2.415 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069857403 203058685 /nfs/dbraw/zinc/05/86/85/203058685.db2.gz OTSZIHWGLVBZFO-QGZVFWFLSA-N 1 0 333.432 2.182 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000262590906 245050185 /nfs/dbraw/zinc/05/01/85/245050185.db2.gz RGUFGBXOZHOIBY-LLVKDONJSA-N 1 0 341.795 2.133 20 5 EEBDRO COc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459539532 245160851 /nfs/dbraw/zinc/16/08/51/245160851.db2.gz UDHHHHOHLBYOFV-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486973565 245517930 /nfs/dbraw/zinc/51/79/30/245517930.db2.gz UKFQPVXIMPTLKV-UHFFFAOYSA-N 1 0 331.376 2.423 20 5 EEBDRO CSCC[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000126333490 205050840 /nfs/dbraw/zinc/05/08/40/205050840.db2.gz ZQJWAORQBLOEBQ-JSGCOSHPSA-N 1 0 328.434 2.408 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126540554 205060600 /nfs/dbraw/zinc/06/06/00/205060600.db2.gz UCWBUUAXMDLIMN-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000130949243 205265668 /nfs/dbraw/zinc/26/56/68/205265668.db2.gz DJVRWIWLMZVXOP-INIZCTEOSA-N 1 0 335.404 2.168 20 5 EEBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000132323128 205319893 /nfs/dbraw/zinc/31/98/93/205319893.db2.gz MLFTWDRFONWBFH-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132673393 205335647 /nfs/dbraw/zinc/33/56/47/205335647.db2.gz BIRPQNIVWSEDLD-UKRRQHHQSA-N 1 0 338.404 2.270 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000156917945 206105876 /nfs/dbraw/zinc/10/58/76/206105876.db2.gz VCYYKCWWXQPLFO-CYBMUJFWSA-N 1 0 333.392 2.330 20 5 EEBDRO CSCC[C@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000157257237 206125516 /nfs/dbraw/zinc/12/55/16/206125516.db2.gz SVOMEYHVTQUYRP-NSHDSACASA-N 1 0 335.389 2.004 20 5 EEBDRO Cc1c(C(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000264946546 247074243 /nfs/dbraw/zinc/07/42/43/247074243.db2.gz XFWSTZNNNIIESS-VIFPVBQESA-N 1 0 338.364 2.190 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000265018472 247138947 /nfs/dbraw/zinc/13/89/47/247138947.db2.gz CEYKPDYQZYPYEO-CYBMUJFWSA-N 1 0 335.404 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](C4CCC4)CC3)n2)cc1 ZINC000265154254 247254473 /nfs/dbraw/zinc/25/44/73/247254473.db2.gz UGLCMEHMMDWIKB-UHFFFAOYSA-N 1 0 343.387 2.315 20 5 EEBDRO Cc1c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265220033 247309870 /nfs/dbraw/zinc/30/98/70/247309870.db2.gz GOBLQIDUVGBJGG-INIZCTEOSA-N 1 0 340.420 2.138 20 5 EEBDRO C[C@H]1CSCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249028701 206328778 /nfs/dbraw/zinc/32/87/78/206328778.db2.gz LTZCIUQGVYCFRP-CHWSQXEVSA-N 1 0 326.418 2.019 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000266010129 248025707 /nfs/dbraw/zinc/02/57/07/248025707.db2.gz PYBWCZPVELHDQJ-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266031443 248047000 /nfs/dbraw/zinc/04/70/00/248047000.db2.gz SBHULYJJMQNSDU-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266608858 248381462 /nfs/dbraw/zinc/38/14/62/248381462.db2.gz ARGINXCSLBVZRT-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000175626389 207143061 /nfs/dbraw/zinc/14/30/61/207143061.db2.gz FUGZHVGREDJIQB-UONOGXRCSA-N 1 0 349.435 2.179 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000177090683 207293635 /nfs/dbraw/zinc/29/36/35/207293635.db2.gz INTXVMAEOYDXJY-GFCCVEGCSA-N 1 0 339.440 2.367 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178847961 207541430 /nfs/dbraw/zinc/54/14/30/207541430.db2.gz YHAIQQUPZWTXFU-ZDUSSCGKSA-N 1 0 334.420 2.373 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176951136 285079683 /nfs/dbraw/zinc/07/96/83/285079683.db2.gz WKAJMWJETGVUIA-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000191363699 285190432 /nfs/dbraw/zinc/19/04/32/285190432.db2.gz HUWXFOMMTLBBAQ-RYQLBKOJSA-N 1 0 344.415 2.153 20 5 EEBDRO [NH3+]CCc1nc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000194801599 256007693 /nfs/dbraw/zinc/00/76/93/256007693.db2.gz ZLLSPDRJFDCTBI-UHFFFAOYSA-N 1 0 348.428 2.305 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000268126612 256116332 /nfs/dbraw/zinc/11/63/32/256116332.db2.gz DABPIYCOYSCYAO-OCCSQVGLSA-N 1 0 328.372 2.316 20 5 EEBDRO Cc1ccnc(NCc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000270738703 256166775 /nfs/dbraw/zinc/16/67/75/256166775.db2.gz UDOHWOGVCTVRNW-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000273038573 256259608 /nfs/dbraw/zinc/25/96/08/256259608.db2.gz OMVYTQLIFCPLAY-CQSZACIVSA-N 1 0 346.431 2.170 20 5 EEBDRO C[C@H]1COc2ccccc2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000273042963 256260013 /nfs/dbraw/zinc/26/00/13/256260013.db2.gz XGBXYWYLKAORLN-LBPRGKRZSA-N 1 0 341.367 2.477 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273531366 256304255 /nfs/dbraw/zinc/30/42/55/256304255.db2.gz RINYENXYPSIDFX-GJZGRUSLSA-N 1 0 335.429 2.247 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274031259 256347958 /nfs/dbraw/zinc/34/79/58/256347958.db2.gz NURWSSQCMNVCLN-ZJUUUORDSA-N 1 0 327.768 2.201 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273421642 256295091 /nfs/dbraw/zinc/29/50/91/256295091.db2.gz YYSLCBVGTGGYBB-AWEZNQCLSA-N 1 0 340.420 2.065 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000275964559 256391005 /nfs/dbraw/zinc/39/10/05/256391005.db2.gz KXLQHGYHMGNCDB-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000277051623 256493087 /nfs/dbraw/zinc/49/30/87/256493087.db2.gz LUFPUWGXIWNCPS-BDAKNGLRSA-N 1 0 348.325 2.125 20 5 EEBDRO COc1cccc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000192455566 533404628 /nfs/dbraw/zinc/40/46/28/533404628.db2.gz CMFGIRNLHLFGDW-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000120782628 142396957 /nfs/dbraw/zinc/39/69/57/142396957.db2.gz PQOVLKISDUJHMX-CYBMUJFWSA-N 1 0 336.436 2.413 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1SC ZINC000157671775 286248235 /nfs/dbraw/zinc/24/82/35/286248235.db2.gz XSRDGZNAKWVCJQ-MWLCHTKSSA-N 1 0 339.417 2.183 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116231496 152044778 /nfs/dbraw/zinc/04/47/78/152044778.db2.gz PNXHIUFGFSHQOS-OAHLLOKOSA-N 1 0 336.436 2.489 20 5 EEBDRO CCOc1cc(NCCCN2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000092607663 159224141 /nfs/dbraw/zinc/22/41/41/159224141.db2.gz IKMMEXXNHCJMHN-UHFFFAOYSA-N 1 0 336.436 2.433 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106787519 159321262 /nfs/dbraw/zinc/32/12/62/159321262.db2.gz SFYPXRCOBUOBQD-ZDUSSCGKSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000186254941 160064788 /nfs/dbraw/zinc/06/47/88/160064788.db2.gz LYEWNLYSOMWAMR-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CC[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000338829582 160805260 /nfs/dbraw/zinc/80/52/60/160805260.db2.gz MKNSUKCXOIZDQX-UHFFFAOYSA-N 1 0 338.408 2.133 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)co2)cc1 ZINC000344062288 161194765 /nfs/dbraw/zinc/19/47/65/161194765.db2.gz NDRJKEKROGIXGQ-MAZHCROVSA-N 1 0 329.356 2.453 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344722176 161239604 /nfs/dbraw/zinc/23/96/04/161239604.db2.gz JEYADLYDFZOOAZ-GFCCVEGCSA-N 1 0 349.435 2.217 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344946641 161258454 /nfs/dbraw/zinc/25/84/54/161258454.db2.gz XGOSWMOEWZLBPM-VXGBXAGGSA-N 1 0 339.417 2.037 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000345304079 161290003 /nfs/dbraw/zinc/29/00/03/161290003.db2.gz LMRAMJNAIZPRCW-UHFFFAOYSA-N 1 0 336.373 2.244 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346107812 161357711 /nfs/dbraw/zinc/35/77/11/161357711.db2.gz RBZPNXBTIGWOBH-LRDDRELGSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000346721632 161396106 /nfs/dbraw/zinc/39/61/06/161396106.db2.gz QMXYMCRHFVWUQO-HNNXBMFYSA-N 1 0 335.404 2.086 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352574332 162195477 /nfs/dbraw/zinc/19/54/77/162195477.db2.gz GDRXZFLBOZQXFS-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352803003 162292541 /nfs/dbraw/zinc/29/25/41/162292541.db2.gz NHWBBGHMCXSOGM-HOCLYGCPSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000355662256 163262850 /nfs/dbraw/zinc/26/28/50/163262850.db2.gz BCWORGSIUOJMBU-SECBINFHSA-N 1 0 348.325 2.363 20 5 EEBDRO CNc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000356272816 163387876 /nfs/dbraw/zinc/38/78/76/163387876.db2.gz DCWAMRBHPXFFRW-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000359210122 164083272 /nfs/dbraw/zinc/08/32/72/164083272.db2.gz ITXLZWDAQUUWSF-MRXNPFEDSA-N 1 0 334.420 2.387 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000360407729 164302769 /nfs/dbraw/zinc/30/27/69/164302769.db2.gz OVWOSRZNZWPFIE-QWHCGFSZSA-N 1 0 334.376 2.352 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000364478917 165151976 /nfs/dbraw/zinc/15/19/76/165151976.db2.gz OWCHPOWXWMPPFN-ZIAGYGMSSA-N 1 0 333.388 2.268 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369793241 166332067 /nfs/dbraw/zinc/33/20/67/166332067.db2.gz KINHYWSYGCMKSG-HUUCEWRRSA-N 1 0 332.404 2.063 20 5 EEBDRO Cc1ccccc1C[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370000603 166373376 /nfs/dbraw/zinc/37/33/76/166373376.db2.gz ZBFCGYIRIRCBPI-UHFFFAOYSA-N 1 0 343.431 2.308 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(N)c([N+](=O)[O-])c1 ZINC000375969407 167238152 /nfs/dbraw/zinc/23/81/52/167238152.db2.gz OWINJRQIXWWAJU-HNNXBMFYSA-N 1 0 340.383 2.102 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376622887 167362625 /nfs/dbraw/zinc/36/26/25/167362625.db2.gz YCAHTMZOHRDWIX-CYBMUJFWSA-N 1 0 333.388 2.107 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000122181460 222032436 /nfs/dbraw/zinc/03/24/36/222032436.db2.gz ICORSAMKCGPHSO-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374633483 274659771 /nfs/dbraw/zinc/65/97/71/274659771.db2.gz YEQHTPCOYCKUJK-GDLCADMTSA-N 1 0 348.359 2.011 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664028 274770912 /nfs/dbraw/zinc/77/09/12/274770912.db2.gz FMKGQGGBTLDUHI-ZIAGYGMSSA-N 1 0 333.388 2.059 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286827251 274910164 /nfs/dbraw/zinc/91/01/64/274910164.db2.gz LALPVWRLTMMASJ-PBHICJAKSA-N 1 0 346.431 2.400 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC([NH2+]C4CC4)CC3)cc2N1 ZINC000157293352 275018433 /nfs/dbraw/zinc/01/84/33/275018433.db2.gz WLGOYGPZHUBYSF-UHFFFAOYSA-N 1 0 330.388 2.200 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289582809 275129850 /nfs/dbraw/zinc/12/98/50/275129850.db2.gz RLEMDZBPKAFWLW-JTQLQIEISA-N 1 0 348.230 2.400 20 5 EEBDRO Cc1c(CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000289772987 275147454 /nfs/dbraw/zinc/14/74/54/275147454.db2.gz IQCCLBPTIHBBRW-NSHDSACASA-N 1 0 346.412 2.357 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000290451660 275208651 /nfs/dbraw/zinc/20/86/51/275208651.db2.gz BUKPISZTYHBHQJ-LLVKDONJSA-N 1 0 325.413 2.121 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000290908804 275251358 /nfs/dbraw/zinc/25/13/58/275251358.db2.gz LLDRADIFOHTTIV-LBPRGKRZSA-N 1 0 341.383 2.349 20 5 EEBDRO COCCCN(C(=O)c1cccc([N+](=O)[O-])c1C)C1CC[NH+](C)CC1 ZINC000291229379 275284373 /nfs/dbraw/zinc/28/43/73/275284373.db2.gz OZIAOFFQAKFKOF-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CC(C)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000292239813 275399457 /nfs/dbraw/zinc/39/94/57/275399457.db2.gz WOADAXKQWVAJSR-UHFFFAOYSA-N 1 0 348.403 2.140 20 5 EEBDRO CC(C)N(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000365520021 275605589 /nfs/dbraw/zinc/60/55/89/275605589.db2.gz XAOIVRQYYQYJPR-UHFFFAOYSA-N 1 0 337.424 2.074 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423699201 276051259 /nfs/dbraw/zinc/05/12/59/276051259.db2.gz PBTIWMSTKNBWKN-ZDUSSCGKSA-N 1 0 327.331 2.445 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345668316 278366169 /nfs/dbraw/zinc/36/61/69/278366169.db2.gz SGAMTCHLEOELCS-LBPRGKRZSA-N 1 0 328.372 2.309 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000269230168 279633667 /nfs/dbraw/zinc/63/36/67/279633667.db2.gz VINRJHHYVZPODB-CYBMUJFWSA-N 1 0 349.387 2.003 20 5 EEBDRO Cc1ccc(CCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000453579738 280805692 /nfs/dbraw/zinc/80/56/92/280805692.db2.gz SAAATZZOTRQONA-UHFFFAOYSA-N 1 0 341.415 2.448 20 5 EEBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000266002476 289043875 /nfs/dbraw/zinc/04/38/75/289043875.db2.gz NYGYCUZPXZWPLU-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284081187 293027186 /nfs/dbraw/zinc/02/71/86/293027186.db2.gz LUXINVBWOJRAFV-LBPRGKRZSA-N 1 0 344.419 2.388 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293284423 293170080 /nfs/dbraw/zinc/17/00/80/293170080.db2.gz CTSODVSRLIDFRN-PHIMTYICSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943237 293333120 /nfs/dbraw/zinc/33/31/20/293333120.db2.gz YSZJYQYBCSDHEI-ZIAGYGMSSA-N 1 0 348.447 2.329 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294314994 293422178 /nfs/dbraw/zinc/42/21/78/293422178.db2.gz SAYZUWIEOAMKOI-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000294893945 293573813 /nfs/dbraw/zinc/57/38/13/293573813.db2.gz GMFGZDIJOBXHPR-AWEZNQCLSA-N 1 0 335.404 2.231 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000296750906 294057792 /nfs/dbraw/zinc/05/77/92/294057792.db2.gz BEWMVUSWNLURCA-NSHDSACASA-N 1 0 331.376 2.027 20 5 EEBDRO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297130090 294159859 /nfs/dbraw/zinc/15/98/59/294159859.db2.gz MYVFTWFGJXLSDS-CYBMUJFWSA-N 1 0 327.388 2.404 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000297179017 294172888 /nfs/dbraw/zinc/17/28/88/294172888.db2.gz KYDBOUJGIIJOJI-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000297943062 294379327 /nfs/dbraw/zinc/37/93/27/294379327.db2.gz SCAXDENRAGRHMY-NEPJUHHUSA-N 1 0 337.376 2.041 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261698130 297249931 /nfs/dbraw/zinc/24/99/31/297249931.db2.gz IZXAVXNRAUNLLV-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236729281 298534914 /nfs/dbraw/zinc/53/49/14/298534914.db2.gz QYZQNLMDWDCWCB-CYBMUJFWSA-N 1 0 334.420 2.250 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000342911546 303377326 /nfs/dbraw/zinc/37/73/26/303377326.db2.gz NFMVDRPWOIHAMY-UHFFFAOYSA-N 1 0 341.433 2.125 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000332370407 311996816 /nfs/dbraw/zinc/99/68/16/311996816.db2.gz AOFCEETYADWZMJ-SJORKVTESA-N 1 0 347.415 2.262 20 5 EEBDRO CCOc1cc(NC(=O)NC[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414757140 313077503 /nfs/dbraw/zinc/07/75/03/313077503.db2.gz KYDSANDJKKREBP-SNVBAGLBSA-N 1 0 340.380 2.109 20 5 EEBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000414949464 313113420 /nfs/dbraw/zinc/11/34/20/313113420.db2.gz NMDFBMHYFSZSLE-NSHDSACASA-N 1 0 344.318 2.397 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000420947647 314006520 /nfs/dbraw/zinc/00/65/20/314006520.db2.gz UEILNLCKAFEIOO-OCCSQVGLSA-N 1 0 335.404 2.182 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255358 315176673 /nfs/dbraw/zinc/17/66/73/315176673.db2.gz KQRJWERUICDCIM-JLZZUVOBSA-N 1 0 337.395 2.417 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000441376042 315183769 /nfs/dbraw/zinc/18/37/69/315183769.db2.gz IZOMSUHBDFYLPG-GXTWGEPZSA-N 1 0 349.387 2.392 20 5 EEBDRO CCc1cnccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514668642 316408969 /nfs/dbraw/zinc/40/89/69/316408969.db2.gz IXHFHUVYWAOSOY-MRXNPFEDSA-N 1 0 331.372 2.082 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000536526209 317998242 /nfs/dbraw/zinc/99/82/42/317998242.db2.gz OVAYVWMPEIFXNV-UHFFFAOYSA-N 1 0 332.335 2.121 20 5 EEBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503344 318160056 /nfs/dbraw/zinc/16/00/56/318160056.db2.gz NDYICHPIOJKPBM-ZFWWWQNUSA-N 1 0 348.403 2.463 20 5 EEBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000563955795 319059167 /nfs/dbraw/zinc/05/91/67/319059167.db2.gz ZRWBANZQXQIRRE-LLVKDONJSA-N 1 0 337.763 2.161 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000564663176 319099460 /nfs/dbraw/zinc/09/94/60/319099460.db2.gz DBEDZTXYRCECKH-UHFFFAOYSA-N 1 0 332.404 2.370 20 5 EEBDRO C[C@H](COCC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566108821 319245445 /nfs/dbraw/zinc/24/54/45/319245445.db2.gz HQCRYPVMWNNTHU-SNVBAGLBSA-N 1 0 349.309 2.480 20 5 EEBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccccc1 ZINC000567001345 319339260 /nfs/dbraw/zinc/33/92/60/319339260.db2.gz PJFTYYGEKCCGJU-UHFFFAOYSA-N 1 0 343.383 2.222 20 5 EEBDRO COc1ccc([C@@H](C[NH3+])Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1 ZINC000568084779 319452527 /nfs/dbraw/zinc/45/25/27/319452527.db2.gz UBPXIHWEIHDEHK-NSHDSACASA-N 1 0 337.763 2.161 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000569960823 319624582 /nfs/dbraw/zinc/62/45/82/319624582.db2.gz QGPOMOSEXDSCOF-HNNXBMFYSA-N 1 0 336.413 2.366 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CC[NH2+]CC1 ZINC000573083522 319902931 /nfs/dbraw/zinc/90/29/31/319902931.db2.gz XCDWPIJIYRXRTA-SNVBAGLBSA-N 1 0 341.795 2.131 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000577103875 320232263 /nfs/dbraw/zinc/23/22/63/320232263.db2.gz CAWPZHGBCHASJD-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354630678 465064392 /nfs/dbraw/zinc/06/43/92/465064392.db2.gz VTOIUIQQVKXDKR-OLZOCXBDSA-N 1 0 341.433 2.088 20 5 EEBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000347658571 465153517 /nfs/dbraw/zinc/15/35/17/465153517.db2.gz WDBCCWGMNMOVFA-OAHLLOKOSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354826602 465174942 /nfs/dbraw/zinc/17/49/42/465174942.db2.gz IOPDSGHWZFIXOQ-HSMVNMDESA-N 1 0 348.378 2.299 20 5 EEBDRO Cn1cc(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351516872 465197117 /nfs/dbraw/zinc/19/71/17/465197117.db2.gz KOWRJEOOBGVRLN-GJZGRUSLSA-N 1 0 332.408 2.231 20 5 EEBDRO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)(C)C[NH+](C)C ZINC000342352227 465311232 /nfs/dbraw/zinc/31/12/32/465311232.db2.gz UGFHKVSMBFJDEM-JTQLQIEISA-N 1 0 333.392 2.632 20 5 EEBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590571434 468276319 /nfs/dbraw/zinc/27/63/19/468276319.db2.gz FSSCZJCFKOJDOF-UHFFFAOYSA-N 1 0 329.404 3.024 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356433252 465377912 /nfs/dbraw/zinc/37/79/12/465377912.db2.gz WOPFGVYJAGICNM-UHFFFAOYSA-N 1 0 345.403 2.100 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000590638211 468294053 /nfs/dbraw/zinc/29/40/53/468294053.db2.gz BXPRTSNGZRPXCA-SNVBAGLBSA-N 1 0 339.367 2.203 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087008050 462582610 /nfs/dbraw/zinc/58/26/10/462582610.db2.gz CPHRVECNZKHWTM-QGZVFWFLSA-N 1 0 349.431 2.000 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000113515773 462599737 /nfs/dbraw/zinc/59/97/37/462599737.db2.gz WUNKGBOQGUDVLR-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](C)[NH2+]1 ZINC000153599604 462668954 /nfs/dbraw/zinc/66/89/54/462668954.db2.gz MGGPIGGJGFWVQC-GASCZTMLSA-N 1 0 349.434 2.364 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000115443560 462715434 /nfs/dbraw/zinc/71/54/34/462715434.db2.gz NCBCMKCIVORXPU-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO C[NH+](C)CCn1nnnc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000115965632 462735903 /nfs/dbraw/zinc/73/59/03/462735903.db2.gz IEBDIRJMAWSNDE-UHFFFAOYSA-N 1 0 342.812 2.089 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000090015346 462767067 /nfs/dbraw/zinc/76/70/67/462767067.db2.gz FYNISFKKJZBQJQ-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394398 462787866 /nfs/dbraw/zinc/78/78/66/462787866.db2.gz OYXUBTGRZMDHMS-OLZOCXBDSA-N 1 0 345.403 2.307 20 5 EEBDRO Nc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000010090492 462811902 /nfs/dbraw/zinc/81/19/02/462811902.db2.gz GKLWWZZBOANWKX-OAHLLOKOSA-N 1 0 344.371 2.337 20 5 EEBDRO C[NH+](C)Cc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000065625093 462814777 /nfs/dbraw/zinc/81/47/77/462814777.db2.gz CJJYIPJJRRVQQN-UHFFFAOYSA-N 1 0 331.376 2.227 20 5 EEBDRO CC[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000118825796 462854643 /nfs/dbraw/zinc/85/46/43/462854643.db2.gz QLPRSEFFGMNWKZ-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000066137334 462855334 /nfs/dbraw/zinc/85/53/34/462855334.db2.gz AHCWTPOFOXBGBV-SNVBAGLBSA-N 1 0 338.364 2.272 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000133479893 462937222 /nfs/dbraw/zinc/93/72/22/462937222.db2.gz WDPIDLANVWJHOC-TZMCWYRMSA-N 1 0 348.403 2.087 20 5 EEBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000077429371 462983553 /nfs/dbraw/zinc/98/35/53/462983553.db2.gz VQKZIMHFFYZXLH-OLZOCXBDSA-N 1 0 332.404 2.492 20 5 EEBDRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000052007538 463058380 /nfs/dbraw/zinc/05/83/80/463058380.db2.gz GDHMDWFJFYIYAO-GOEBONIOSA-N 1 0 347.371 2.468 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067914242 463065891 /nfs/dbraw/zinc/06/58/91/463065891.db2.gz IGNQUIQSKGQGDQ-AWEZNQCLSA-N 1 0 349.431 2.383 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134882813 463090972 /nfs/dbraw/zinc/09/09/72/463090972.db2.gz NBVVKYVJNPQQCP-ZDUSSCGKSA-N 1 0 344.415 2.419 20 5 EEBDRO Cc1nn(C)c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078507033 463123822 /nfs/dbraw/zinc/12/38/22/463123822.db2.gz XWWVPCUPUHKGDM-OAHLLOKOSA-N 1 0 329.404 2.347 20 5 EEBDRO O=c1[nH]cnc2cc(NCCC[NH+]3CCCCC3)c([N+](=O)[O-])cc21 ZINC000078746871 463146070 /nfs/dbraw/zinc/14/60/70/463146070.db2.gz MCQWIIRBRHOGOZ-UHFFFAOYSA-N 1 0 331.376 2.119 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1 ZINC000078869521 463157293 /nfs/dbraw/zinc/15/72/93/463157293.db2.gz RUVCBHJIHXYGSJ-RDJZCZTQSA-N 1 0 342.399 2.285 20 5 EEBDRO COc1ccc(CC(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000069377979 463237218 /nfs/dbraw/zinc/23/72/18/463237218.db2.gz NTQXVUPUIFPHIQ-UHFFFAOYSA-N 1 0 335.404 2.138 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079775099 463248399 /nfs/dbraw/zinc/24/83/99/463248399.db2.gz WOPJJZQUKOHIIN-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000080008256 463271535 /nfs/dbraw/zinc/27/15/35/463271535.db2.gz LXIWAFDXHRIPGA-STQMWFEESA-N 1 0 332.404 2.439 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150861771 463442401 /nfs/dbraw/zinc/44/24/01/463442401.db2.gz WTOPSYAZTOYXAQ-CQSZACIVSA-N 1 0 347.415 2.379 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057719915 463513843 /nfs/dbraw/zinc/51/38/43/463513843.db2.gz PQMDQVOYXIVCEO-ZDUSSCGKSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000127348398 463697425 /nfs/dbraw/zinc/69/74/25/463697425.db2.gz GCDYKCDHUNIFHK-QAPCUYQASA-N 1 0 346.475 2.141 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]([NH+]4CCCC4)C3)n2)c1 ZINC000170741650 463701737 /nfs/dbraw/zinc/70/17/37/463701737.db2.gz SNUZSONMZFMMFR-HNNXBMFYSA-N 1 0 343.387 2.315 20 5 EEBDRO O=C(CCN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000170743575 463701818 /nfs/dbraw/zinc/70/18/18/463701818.db2.gz UHPIQFCYTMGAHH-INIZCTEOSA-N 1 0 332.404 2.094 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000287155866 463816848 /nfs/dbraw/zinc/81/68/48/463816848.db2.gz NQQJJNFTABAVDM-CABCVRRESA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287219861 463837552 /nfs/dbraw/zinc/83/75/52/463837552.db2.gz QEEFFRZLPKSLPM-VXGBXAGGSA-N 1 0 335.408 2.140 20 5 EEBDRO CC(C)[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269015276 463846579 /nfs/dbraw/zinc/84/65/79/463846579.db2.gz BUQAOCBBKGRKDT-LBPRGKRZSA-N 1 0 348.325 2.125 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(Cc3ccccc3)CCCC2)c1 ZINC000185828421 463886577 /nfs/dbraw/zinc/88/65/77/463886577.db2.gz VPUJSGYTDFYHPX-KRWDZBQOSA-N 1 0 344.415 2.297 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)o1 ZINC000523085667 468383874 /nfs/dbraw/zinc/38/38/74/468383874.db2.gz MJBJLWQSQWSKJJ-OAHLLOKOSA-N 1 0 346.387 2.402 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000287772160 463995649 /nfs/dbraw/zinc/99/56/49/463995649.db2.gz IAGWAHGMIXCDOB-GHMZBOCLSA-N 1 0 334.376 2.122 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000198235473 464086559 /nfs/dbraw/zinc/08/65/59/464086559.db2.gz RCOAOWABZVVYQB-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO O=C1NCCCN1C1CC[NH+](CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000222082712 464126121 /nfs/dbraw/zinc/12/61/21/464126121.db2.gz JGVWXODVZRZPOK-UTCJRWHESA-N 1 0 344.415 2.488 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263700181 464157998 /nfs/dbraw/zinc/15/79/98/464157998.db2.gz TXWCTOXSSMADRM-LBPRGKRZSA-N 1 0 337.424 2.122 20 5 EEBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180439157 464310306 /nfs/dbraw/zinc/31/03/06/464310306.db2.gz VNAIISRXIVGNRC-LBPRGKRZSA-N 1 0 348.403 2.404 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237535530 464336019 /nfs/dbraw/zinc/33/60/19/464336019.db2.gz LDDIFPNYXUMZHW-WPRPVWTQSA-N 1 0 347.824 2.057 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237668283 464360581 /nfs/dbraw/zinc/36/05/81/464360581.db2.gz JIZJLZDRRBBYMV-UONOGXRCSA-N 1 0 334.420 2.339 20 5 EEBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000174193971 464375144 /nfs/dbraw/zinc/37/51/44/464375144.db2.gz WVSMKPXEKZQBRN-MRXNPFEDSA-N 1 0 349.431 2.340 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)cc1[N+](=O)[O-] ZINC000568901979 468404001 /nfs/dbraw/zinc/40/40/01/468404001.db2.gz PWUAGOHDPDPGGI-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000181429740 464489010 /nfs/dbraw/zinc/48/90/10/464489010.db2.gz RJYAEKJIUIASLB-CJNGLKHVSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264862465 464494616 /nfs/dbraw/zinc/49/46/16/464494616.db2.gz FEISJJPKZIHABU-UHFFFAOYSA-N 1 0 341.383 2.351 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537768 464503865 /nfs/dbraw/zinc/50/38/65/464503865.db2.gz SZYVMTDEKOXTOE-WBMJQRKESA-N 1 0 332.356 2.391 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264960597 464505717 /nfs/dbraw/zinc/50/57/17/464505717.db2.gz ZMNHDSSXUXQFGL-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO NC(=O)c1cccc(N2CCN(Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000579745262 468405395 /nfs/dbraw/zinc/40/53/95/468405395.db2.gz NTNBXCYUKQHHDU-UHFFFAOYSA-N 1 0 346.412 2.077 20 5 EEBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000294623003 464555772 /nfs/dbraw/zinc/55/57/72/464555772.db2.gz XYAVRROTPSKTLM-CQSZACIVSA-N 1 0 347.415 2.406 20 5 EEBDRO COc1cc(C[NH2+][C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272399258 464592109 /nfs/dbraw/zinc/59/21/09/464592109.db2.gz JSPPVTYYQHWZLH-SECBINFHSA-N 1 0 334.319 2.108 20 5 EEBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285545734 464604359 /nfs/dbraw/zinc/60/43/59/464604359.db2.gz QHXZZXJNBGDVOM-SJPCQFCGSA-N 1 0 346.431 2.115 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499955 464634173 /nfs/dbraw/zinc/63/41/73/464634173.db2.gz GREISIWGNBMNAH-IRXDYDNUSA-N 1 0 343.431 2.492 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000176168648 464711380 /nfs/dbraw/zinc/71/13/80/464711380.db2.gz PVBJGACUIXFQCT-LBPRGKRZSA-N 1 0 343.449 2.158 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248573717 464766517 /nfs/dbraw/zinc/76/65/17/464766517.db2.gz DCZZDVHGMZQGEP-SOUVJXGZSA-N 1 0 344.415 2.004 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000275588626 464780964 /nfs/dbraw/zinc/78/09/64/464780964.db2.gz IUTBPLQZMSLLAR-ZACQAIPSSA-N 1 0 330.388 2.078 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 ZINC000286133566 464815682 /nfs/dbraw/zinc/81/56/82/464815682.db2.gz VGYAMLKRTDFUIR-IKGGRYGDSA-N 1 0 342.399 2.296 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000295480760 464853464 /nfs/dbraw/zinc/85/34/64/464853464.db2.gz JFBBZNMPFOIAQW-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)O1 ZINC000266887963 464859882 /nfs/dbraw/zinc/85/98/82/464859882.db2.gz ZWVOYELAXFTCOS-PHIMTYICSA-N 1 0 326.372 2.227 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000176920191 464886827 /nfs/dbraw/zinc/88/68/27/464886827.db2.gz PYEAXDQSKBNZNN-CQSZACIVSA-N 1 0 343.811 2.335 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@H]1O ZINC000286576291 464964801 /nfs/dbraw/zinc/96/48/01/464964801.db2.gz PXJRZEZPDQVSCV-CHWSQXEVSA-N 1 0 327.768 2.032 20 5 EEBDRO CO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875942 464994070 /nfs/dbraw/zinc/99/40/70/464994070.db2.gz FXYNOJNKURMVBW-CJNGLKHVSA-N 1 0 338.404 2.081 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192993101 465020927 /nfs/dbraw/zinc/02/09/27/465020927.db2.gz REGLBFJJAIAQIA-XHDPSFHLSA-N 1 0 326.418 2.385 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CC[C@@H](C3CCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000591240531 468431494 /nfs/dbraw/zinc/43/14/94/468431494.db2.gz URZZBRIKZMVQFD-CZUORRHYSA-N 1 0 343.383 2.349 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000342918225 465387082 /nfs/dbraw/zinc/38/70/82/465387082.db2.gz YSJDERJGDMKEHO-UHFFFAOYSA-N 1 0 345.403 2.433 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000593918195 468432382 /nfs/dbraw/zinc/43/23/82/468432382.db2.gz BYTJNGQJFVROCR-PVAVHDDUSA-N 1 0 347.415 2.025 20 5 EEBDRO C[C@@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000298819194 465515143 /nfs/dbraw/zinc/51/51/43/465515143.db2.gz FXWDWPZJCGDXRD-DLBZAZTESA-N 1 0 333.388 2.471 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1OC ZINC000579942461 468438136 /nfs/dbraw/zinc/43/81/36/468438136.db2.gz ARVORMRIXALLFI-INIZCTEOSA-N 1 0 339.392 2.105 20 5 EEBDRO Cc1cc(NCCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360935798 465645862 /nfs/dbraw/zinc/64/58/62/465645862.db2.gz YJLKDSVSJRTODU-UHFFFAOYSA-N 1 0 344.415 2.396 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000371275989 465682088 /nfs/dbraw/zinc/68/20/88/465682088.db2.gz RKOCCRDZRAEDDO-KBPBESRZSA-N 1 0 331.397 2.484 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330588525 465718447 /nfs/dbraw/zinc/71/84/47/465718447.db2.gz UJIAVYUGCGFBEY-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3COC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348640624 465724832 /nfs/dbraw/zinc/72/48/32/465724832.db2.gz HTHJOAVSZMWAKR-HOTGVXAUSA-N 1 0 348.355 2.055 20 5 EEBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000569184504 468450283 /nfs/dbraw/zinc/45/02/83/468450283.db2.gz PNNNKQBWCZAGLW-MRXNPFEDSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000330676979 465757371 /nfs/dbraw/zinc/75/73/71/465757371.db2.gz JBMDDKMVVKSKCQ-MRXNPFEDSA-N 1 0 349.431 2.471 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000338053791 465784003 /nfs/dbraw/zinc/78/40/03/465784003.db2.gz XJEUHJSYNCRUQN-ZFWWWQNUSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000330957889 465874171 /nfs/dbraw/zinc/87/41/71/465874171.db2.gz AADPKKNTPFPOAK-MRXNPFEDSA-N 1 0 334.420 2.114 20 5 EEBDRO CC(C)CCCN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348936694 465882793 /nfs/dbraw/zinc/88/27/93/465882793.db2.gz TWGFBAJWHWFZFU-UHFFFAOYSA-N 1 0 343.449 2.200 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338292663 465990033 /nfs/dbraw/zinc/99/00/33/465990033.db2.gz UMYAJQXUPZMDFD-RYUDHWBXSA-N 1 0 337.376 2.101 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000346327850 466082214 /nfs/dbraw/zinc/08/22/14/466082214.db2.gz IRNOIJYWMPOLFB-IOASZLSFSA-N 1 0 334.420 2.384 20 5 EEBDRO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000353735633 466106915 /nfs/dbraw/zinc/10/69/15/466106915.db2.gz IUARGGCMHYYPJD-UHFFFAOYSA-N 1 0 337.379 2.486 20 5 EEBDRO O=C(NCc1ccccc1-n1ccnc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357561415 466134196 /nfs/dbraw/zinc/13/41/96/466134196.db2.gz GMHDEQVPEUWAMI-UHFFFAOYSA-N 1 0 338.323 2.416 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000331727300 466220763 /nfs/dbraw/zinc/22/07/63/466220763.db2.gz NXXOQFJWFFPRNU-WMLDXEAASA-N 1 0 345.403 2.083 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000304337441 466284946 /nfs/dbraw/zinc/28/49/46/466284946.db2.gz XHKNKNPGQGYICI-SJLPKXTDSA-N 1 0 344.415 2.422 20 5 EEBDRO COCCNC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000347280684 466532521 /nfs/dbraw/zinc/53/25/21/466532521.db2.gz XSISIXYWLFFITN-XJKSGUPXSA-N 1 0 337.420 2.423 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCC[NH2+]C1 ZINC000415432524 466677745 /nfs/dbraw/zinc/67/77/45/466677745.db2.gz FVFBVJNZFRMCFW-SECBINFHSA-N 1 0 332.282 2.487 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000368704433 466695161 /nfs/dbraw/zinc/69/51/61/466695161.db2.gz QJKVTPVAQQPDMA-AWEZNQCLSA-N 1 0 332.404 2.067 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423250448 466703542 /nfs/dbraw/zinc/70/35/42/466703542.db2.gz QGFLKJNHCFPZER-BBRMVZONSA-N 1 0 329.404 2.007 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327063 466719119 /nfs/dbraw/zinc/71/91/19/466719119.db2.gz CTIBABVVIQDDHN-AEFFLSMTSA-N 1 0 343.431 2.397 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205566 466727775 /nfs/dbraw/zinc/72/77/75/466727775.db2.gz UIIWRJSDYAVNFU-QZTJIDSGSA-N 1 0 346.358 2.361 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373228828 466735163 /nfs/dbraw/zinc/73/51/63/466735163.db2.gz JGAQXSXMTHMLHM-KRWDZBQOSA-N 1 0 333.388 2.079 20 5 EEBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC000423690413 466804258 /nfs/dbraw/zinc/80/42/58/466804258.db2.gz YYWRGQDRNAKBQE-UHFFFAOYSA-N 1 0 333.388 2.128 20 5 EEBDRO CCOC(=O)c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676366 466885144 /nfs/dbraw/zinc/88/51/44/466885144.db2.gz WEMRIIRJPKHNKS-KBPBESRZSA-N 1 0 349.387 2.047 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411965635 466950618 /nfs/dbraw/zinc/95/06/18/466950618.db2.gz KIVOHVLHZVCZMT-GOSISDBHSA-N 1 0 325.368 2.224 20 5 EEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000412087489 467002976 /nfs/dbraw/zinc/00/29/76/467002976.db2.gz GZMMWGKNSFSMAQ-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418084772 467040554 /nfs/dbraw/zinc/04/05/54/467040554.db2.gz WHEDZMAKFGYNIH-SOUVJXGZSA-N 1 0 332.404 2.172 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418368481 467100294 /nfs/dbraw/zinc/10/02/94/467100294.db2.gz MRHKAAWNEWBKCU-CABCVRRESA-N 1 0 332.404 2.236 20 5 EEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000419002700 467160814 /nfs/dbraw/zinc/16/08/14/467160814.db2.gz PWLLGJNQRNEWDB-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000431952603 467205325 /nfs/dbraw/zinc/20/53/25/467205325.db2.gz KXKVCPVULTXXGY-WMLDXEAASA-N 1 0 346.387 2.265 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c2cccnc21 ZINC000413328780 467216857 /nfs/dbraw/zinc/21/68/57/467216857.db2.gz OAINWDIFELTDMJ-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COCC(F)(F)F)C1CC1 ZINC000432775842 467263063 /nfs/dbraw/zinc/26/30/63/467263063.db2.gz KLEPJQYTEJHZOW-ZDUSSCGKSA-N 1 0 348.321 2.499 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018806 467291831 /nfs/dbraw/zinc/29/18/31/467291831.db2.gz IAMCSJWRNGYNKZ-KEYYUXOJSA-N 1 0 346.431 2.195 20 5 EEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1OCc1ccccc1 ZINC000420233666 467326158 /nfs/dbraw/zinc/32/61/58/467326158.db2.gz AFZMJUDZNCRAKQ-GASCZTMLSA-N 1 0 340.383 2.224 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420254279 467331098 /nfs/dbraw/zinc/33/10/98/467331098.db2.gz CMRLXXIBTUMNHE-TZMCWYRMSA-N 1 0 334.420 2.297 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420295720 467341884 /nfs/dbraw/zinc/34/18/84/467341884.db2.gz VZPKBVLOCNVJMH-WDEREUQCSA-N 1 0 340.811 2.246 20 5 EEBDRO COc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000429922123 467382362 /nfs/dbraw/zinc/38/23/62/467382362.db2.gz WBEOQTQZXUKGAO-GXTWGEPZSA-N 1 0 335.404 2.245 20 5 EEBDRO O=C(CCN1CCC([NH2+]CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000430575140 467443533 /nfs/dbraw/zinc/44/35/33/467443533.db2.gz KBWCFUMIHXLPEY-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[NH2+]C1 ZINC000430920514 467474855 /nfs/dbraw/zinc/47/48/55/467474855.db2.gz PMULMCDMABMRBM-CQSZACIVSA-N 1 0 331.376 2.219 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000453367165 467483076 /nfs/dbraw/zinc/48/30/76/467483076.db2.gz XGBFVHQLJDHWOU-KSZLIROESA-N 1 0 345.443 2.369 20 5 EEBDRO Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431484034 467519984 /nfs/dbraw/zinc/51/99/84/467519984.db2.gz PIRYQZRYTZJZBP-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC1CC[NH+](CCO)CC1 ZINC000436399581 467533683 /nfs/dbraw/zinc/53/36/83/467533683.db2.gz FKDSWENGRQKJMZ-UHFFFAOYSA-N 1 0 348.325 2.125 20 5 EEBDRO CNc1nc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000454898585 467622737 /nfs/dbraw/zinc/62/27/37/467622737.db2.gz RVRZMHBKQTXOJI-UHFFFAOYSA-N 1 0 335.408 2.024 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000457095803 467751442 /nfs/dbraw/zinc/75/14/42/467751442.db2.gz QIEUGFLJRZRVSK-NSHDSACASA-N 1 0 339.367 2.297 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637910 467944430 /nfs/dbraw/zinc/94/44/30/467944430.db2.gz WCUVSNHMIQXWQO-AZHAFVHUSA-N 1 0 333.388 2.325 20 5 EEBDRO CC(C)(O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531416220 468050671 /nfs/dbraw/zinc/05/06/71/468050671.db2.gz XNMOHEINNWLJGE-UHFFFAOYSA-N 1 0 338.404 2.226 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000494430752 468055414 /nfs/dbraw/zinc/05/54/14/468055414.db2.gz BLZASQCPMNVPBG-NSHDSACASA-N 1 0 338.314 2.497 20 5 EEBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000488761109 468102659 /nfs/dbraw/zinc/10/26/59/468102659.db2.gz FSTNYYYYGPTDDR-OCCSQVGLSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691982 468185466 /nfs/dbraw/zinc/18/54/66/468185466.db2.gz LGCGDKABPFZTLD-HUUCEWRRSA-N 1 0 346.383 2.392 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520314407 468242222 /nfs/dbraw/zinc/24/22/22/468242222.db2.gz DLXLGGQJIPCWHR-LLVKDONJSA-N 1 0 337.376 2.174 20 5 EEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000591757494 468515164 /nfs/dbraw/zinc/51/51/64/468515164.db2.gz SKRDSZWEGHHYHQ-MRXNPFEDSA-N 1 0 345.399 2.297 20 5 EEBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000591763622 468517746 /nfs/dbraw/zinc/51/77/46/468517746.db2.gz SFPSUADGWFPMLR-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCSC2)c1 ZINC000591767582 468518085 /nfs/dbraw/zinc/51/80/85/468518085.db2.gz ZUGPKBUXMRWDJR-TZMCWYRMSA-N 1 0 326.418 2.067 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000600312327 468528826 /nfs/dbraw/zinc/52/88/26/468528826.db2.gz FEEPDNUSRAHKJF-NSHDSACASA-N 1 0 339.367 2.204 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592245251 468663504 /nfs/dbraw/zinc/66/35/04/468663504.db2.gz ZCMJAHCPVAYASF-JOYOIKCWSA-N 1 0 343.305 2.438 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594802253 468692090 /nfs/dbraw/zinc/69/20/90/468692090.db2.gz WOCMVPMWKXGIPI-GFCCVEGCSA-N 1 0 341.433 2.054 20 5 EEBDRO CNc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597861854 468697353 /nfs/dbraw/zinc/69/73/53/468697353.db2.gz XHTOUBANEJAXEQ-LBPRGKRZSA-N 1 0 334.420 2.487 20 5 EEBDRO COc1ccccc1N1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000601110420 468744604 /nfs/dbraw/zinc/74/46/04/468744604.db2.gz DGCKADNTJBBMSK-UHFFFAOYSA-N 1 0 345.403 2.059 20 5 EEBDRO O=C(CC[NH2+]C[C@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000584172754 468813033 /nfs/dbraw/zinc/81/30/33/468813033.db2.gz CUMNDBMXSLNZLO-OAHLLOKOSA-N 1 0 343.383 2.289 20 5 EEBDRO COc1ccc(OCCN(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000593113364 468875374 /nfs/dbraw/zinc/87/53/74/468875374.db2.gz ZJFMQBBTVCPMPL-UHFFFAOYSA-N 1 0 337.420 2.400 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593187950 468899340 /nfs/dbraw/zinc/89/93/40/468899340.db2.gz WKIQPOPTRRMZFG-MJBXVCDLSA-N 1 0 335.404 2.303 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000572544217 468948323 /nfs/dbraw/zinc/94/83/23/468948323.db2.gz MGIGLZGRMFWDTO-UHFFFAOYSA-N 1 0 329.360 2.474 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682807 468957813 /nfs/dbraw/zinc/95/78/13/468957813.db2.gz PAZBUTKEEPBUIM-AHIWAGSCSA-N 1 0 332.404 2.043 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000598912835 469047261 /nfs/dbraw/zinc/04/72/61/469047261.db2.gz BGTVJDFIWHTWTI-NSHDSACASA-N 1 0 327.344 2.450 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000598914019 469047811 /nfs/dbraw/zinc/04/78/11/469047811.db2.gz VKUWBERHNXDEPL-XJKSGUPXSA-N 1 0 348.403 2.345 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000602803917 469086580 /nfs/dbraw/zinc/08/65/80/469086580.db2.gz GZDDLTJCOZDLNS-OAHLLOKOSA-N 1 0 334.351 2.392 20 5 EEBDRO Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(CCC[NH+]2CCOCC2)n1 ZINC000601945958 469107185 /nfs/dbraw/zinc/10/71/85/469107185.db2.gz WQRYKIXBWXTPKL-UHFFFAOYSA-N 1 0 330.388 2.489 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC1CC[NH2+]CC1 ZINC000593721294 469108700 /nfs/dbraw/zinc/10/87/00/469108700.db2.gz POGQLESKBHYYIY-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602843317 469112568 /nfs/dbraw/zinc/11/25/68/469112568.db2.gz GMZBAJMYEDHGQP-HNNXBMFYSA-N 1 0 343.431 2.306 20 5 EEBDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000562987946 469125526 /nfs/dbraw/zinc/12/55/26/469125526.db2.gz VPGVEYVCODYINJ-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)CC1 ZINC000596128507 469168325 /nfs/dbraw/zinc/16/83/25/469168325.db2.gz JQUZBZDYHIBGKK-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000602950139 469185720 /nfs/dbraw/zinc/18/57/20/469185720.db2.gz JWOIJHCQNXLEJG-UHFFFAOYSA-N 1 0 337.445 2.366 20 5 EEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cnnn2)c1 ZINC000611337342 469230219 /nfs/dbraw/zinc/23/02/19/469230219.db2.gz WRLVUNZOPDHGPM-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602230224 469249893 /nfs/dbraw/zinc/24/98/93/469249893.db2.gz KYEMNZSSTOAIDK-UHFFFAOYSA-N 1 0 330.344 2.183 20 5 EEBDRO O=[N+]([O-])c1ncccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000611617953 469293768 /nfs/dbraw/zinc/29/37/68/469293768.db2.gz DQTWFUARKSUQSI-OAHLLOKOSA-N 1 0 328.372 2.169 20 5 EEBDRO COc1ncc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000602475316 469332387 /nfs/dbraw/zinc/33/23/87/469332387.db2.gz SOPMTLOVOBUMKX-JTQLQIEISA-N 1 0 335.389 2.141 20 5 EEBDRO O=[N+]([O-])c1sc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000602493815 469339960 /nfs/dbraw/zinc/33/99/60/469339960.db2.gz LVDSNOGEEHKSPY-YUMQZZPRSA-N 1 0 332.223 2.070 20 5 EEBDRO CNC(=O)COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602518039 469346165 /nfs/dbraw/zinc/34/61/65/469346165.db2.gz LPHKBOBKIQNYNQ-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)nc2c1 ZINC000602580878 469370715 /nfs/dbraw/zinc/37/07/15/469370715.db2.gz DYHYVYYNWMHNRN-BDJLRTHQSA-N 1 0 333.344 2.164 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000603705696 469424689 /nfs/dbraw/zinc/42/46/89/469424689.db2.gz FEYGMMNVCFNPIY-UHFFFAOYSA-N 1 0 332.360 2.126 20 5 EEBDRO CN(C(=O)C[NH2+][C@](C)(CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000609483901 469930669 /nfs/dbraw/zinc/93/06/69/469930669.db2.gz POFYQOKTUPOLRZ-GOSISDBHSA-N 1 0 343.383 2.055 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483855 469931140 /nfs/dbraw/zinc/93/11/40/469931140.db2.gz LREYGAHJTZFROV-GOSISDBHSA-N 1 0 343.383 2.339 20 5 EEBDRO Cc1ccc(NCCCNC(=O)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000610056255 469976991 /nfs/dbraw/zinc/97/69/91/469976991.db2.gz LLAWXOCSIZENID-UHFFFAOYSA-N 1 0 345.403 2.498 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000610405183 470011632 /nfs/dbraw/zinc/01/16/32/470011632.db2.gz PBLUMNXSXISQQB-HNNXBMFYSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000419394545 485685928 /nfs/dbraw/zinc/68/59/28/485685928.db2.gz PLIQNKFBMQSQCT-OUAUKWLOSA-N 1 0 335.360 2.238 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191608397 534481282 /nfs/dbraw/zinc/48/12/82/534481282.db2.gz NRTAQQWKNPNCCW-UHFFFAOYSA-N 1 0 340.383 2.468 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411767883 527214498 /nfs/dbraw/zinc/21/44/98/527214498.db2.gz CWPSIPBTPXJSSI-INIZCTEOSA-N 1 0 335.404 2.310 20 5 EEBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000193351256 528030969 /nfs/dbraw/zinc/03/09/69/528030969.db2.gz VZPSQJOHWBKBQC-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111352976 535489432 /nfs/dbraw/zinc/48/94/32/535489432.db2.gz FEUWQSYERCOZGF-CQSZACIVSA-N 1 0 341.433 2.056 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000456380931 536134728 /nfs/dbraw/zinc/13/47/28/536134728.db2.gz NNOSWGBBIMCHNN-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO CC(C)[N@H+](CC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586622 576277954 /nfs/dbraw/zinc/27/79/54/576277954.db2.gz LPRXKRUWBLJIBI-UHFFFAOYSA-N 1 0 346.387 2.441 20 5 EEBDRO CC[C@@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000727824936 576451592 /nfs/dbraw/zinc/45/15/92/576451592.db2.gz MCQPVHYNIMLFLZ-GFCCVEGCSA-N 1 0 332.360 2.195 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)CCC2 ZINC000774258994 577392194 /nfs/dbraw/zinc/39/21/94/577392194.db2.gz VMCZEDXQBAGGIA-INIZCTEOSA-N 1 0 338.429 2.387 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588133 577463498 /nfs/dbraw/zinc/46/34/98/577463498.db2.gz LBRPDBNIOVZZEN-QAPCUYQASA-N 1 0 333.432 2.292 20 5 EEBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004432 577470914 /nfs/dbraw/zinc/47/09/14/577470914.db2.gz ACDBGWGSDBMTDC-JOYOIKCWSA-N 1 0 349.309 2.479 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682051 577601614 /nfs/dbraw/zinc/60/16/14/577601614.db2.gz YPQLEOFMCDOHLT-PFWMLDTASA-N 1 0 334.372 2.310 20 5 EEBDRO Cc1c(NNC(=S)NCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000760486211 577663824 /nfs/dbraw/zinc/66/38/24/577663824.db2.gz WRBFWQJVQALBQO-UHFFFAOYSA-N 1 0 337.449 2.036 20 5 EEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169951 577821075 /nfs/dbraw/zinc/82/10/75/577821075.db2.gz PBUPZDPZXDXZJP-LKFCYVNXSA-N 1 0 327.768 2.344 20 5 EEBDRO CC[NH+](CC)CCC[C@H](C)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821189551 607160588 /nfs/dbraw/zinc/16/05/88/607160588.db2.gz ONQAFAOFIBYNOY-NSHDSACASA-N 1 0 348.411 2.092 20 5 EEBDRO C[C@H](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824402379 609605721 /nfs/dbraw/zinc/60/57/21/609605721.db2.gz WFQUBMQJQZRIMF-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO O=C(CC1=CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020551778 675089894 /nfs/dbraw/zinc/08/98/94/675089894.db2.gz IFUAIUXPVPGMGV-WKILWMFISA-N 1 0 345.399 2.068 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000890884242 675696293 /nfs/dbraw/zinc/69/62/93/675696293.db2.gz GWGHSYPFSQPSLF-UHFFFAOYSA-N 1 0 333.392 2.131 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933056644 676422614 /nfs/dbraw/zinc/42/26/14/676422614.db2.gz UBHVYTHXLUOBKR-OAHLLOKOSA-N 1 0 336.388 2.109 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001021774833 676435176 /nfs/dbraw/zinc/43/51/76/676435176.db2.gz XRSIMWMCCIQUTH-BETUJISGSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC001022868967 678673991 /nfs/dbraw/zinc/67/39/91/678673991.db2.gz FNNLOMAMVVKMTA-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001023083755 679118218 /nfs/dbraw/zinc/11/82/18/679118218.db2.gz XUVCMFIHKWXCJI-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000892509657 681316480 /nfs/dbraw/zinc/31/64/80/681316480.db2.gz KCYUUADQPWGEPE-CYBMUJFWSA-N 1 0 330.340 2.402 20 5 EEBDRO C[C@@]1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[NH+]2CCC1CC2 ZINC000892780268 683035227 /nfs/dbraw/zinc/03/52/27/683035227.db2.gz RGOGSTOECVQAJT-GOSISDBHSA-N 1 0 342.399 2.219 20 5 EEBDRO CC1(C)CCC(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000983655113 683068992 /nfs/dbraw/zinc/06/89/92/683068992.db2.gz PYNSISYDKRUUJB-KLHDSHLOSA-N 1 0 337.464 2.352 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CCCC1 ZINC001025646259 683206751 /nfs/dbraw/zinc/20/67/51/683206751.db2.gz YVSFIFVSXWMZRS-QLPKVWCKSA-N 1 0 329.400 2.331 20 5 EEBDRO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)o1 ZINC001025665438 683227286 /nfs/dbraw/zinc/22/72/86/683227286.db2.gz VBBFULLSQCRQLS-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000895059077 683593941 /nfs/dbraw/zinc/59/39/41/683593941.db2.gz RCMSKOHZSAOSGC-VIFPVBQESA-N 1 0 329.198 2.331 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC001059250494 683661453 /nfs/dbraw/zinc/66/14/53/683661453.db2.gz YWTLRSXWOMGTTI-WKILWMFISA-N 1 0 346.431 2.304 20 5 EEBDRO O=C1NCCN1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000895603552 684657484 /nfs/dbraw/zinc/65/74/84/684657484.db2.gz CKBMVQIRNXKXFF-UHFFFAOYSA-N 1 0 340.383 2.457 20 5 EEBDRO Cc1cccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001029964492 688718649 /nfs/dbraw/zinc/71/86/49/688718649.db2.gz LXWGJFXHUXMEMJ-QZTJIDSGSA-N 1 0 345.443 2.331 20 5 EEBDRO Cn1cccc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989956366 692519822 /nfs/dbraw/zinc/51/98/22/692519822.db2.gz DMDKENKYLPURHC-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H](C4OCCO4)C3)c2)cc1 ZINC000905697019 1189892743 /nfs/dbraw/zinc/89/27/43/1189892743.db2.gz TTZLOOOTJYHPKV-CQSZACIVSA-N 1 0 344.371 2.111 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000865059137 1198067244 /nfs/dbraw/zinc/06/72/44/1198067244.db2.gz SBTJZCSUSXMIQI-CQSZACIVSA-N 1 0 335.379 2.363 20 5 EEBDRO COc1cc(OC)cc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877033527 1199850122 /nfs/dbraw/zinc/85/01/22/1199850122.db2.gz DILDPSXIWPZSPY-GOSISDBHSA-N 1 0 346.383 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccsc3)CC2)cn1 ZINC000877049968 1199854335 /nfs/dbraw/zinc/85/43/35/1199854335.db2.gz WJSRPKGSAJOGBD-HNNXBMFYSA-N 1 0 348.428 2.343 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877347078 1199910262 /nfs/dbraw/zinc/91/02/62/1199910262.db2.gz QGMDOXAOTHHKIV-OAHLLOKOSA-N 1 0 325.368 2.348 20 5 EEBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001132728155 1199958389 /nfs/dbraw/zinc/95/83/89/1199958389.db2.gz JGEBPMROUZHAEZ-UHFFFAOYSA-N 1 0 336.417 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1C ZINC000888756068 1200502291 /nfs/dbraw/zinc/50/22/91/1200502291.db2.gz AJOUEAHAMYPECS-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO COc1cccc([C@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879522754 1201119971 /nfs/dbraw/zinc/11/99/71/1201119971.db2.gz LVXDBNFJPFQMCM-CQSZACIVSA-N 1 0 332.360 2.046 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374203 1201502192 /nfs/dbraw/zinc/50/21/92/1201502192.db2.gz FIUGKEWRBYQMKI-NSHDSACASA-N 1 0 332.397 2.079 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726861 1201929235 /nfs/dbraw/zinc/92/92/35/1201929235.db2.gz FLOIATJYVHYVED-GFCCVEGCSA-N 1 0 340.811 2.381 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140958 1202476944 /nfs/dbraw/zinc/47/69/44/1202476944.db2.gz SWOHRHJOQGRRGU-ZBFHGGJFSA-N 1 0 336.436 2.216 20 5 EEBDRO COc1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889840644 1204724282 /nfs/dbraw/zinc/72/42/82/1204724282.db2.gz NKVCTLUCXKQLNL-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001326306204 1205606913 /nfs/dbraw/zinc/60/69/13/1205606913.db2.gz ODSLWTRPMBSHHG-UHFFFAOYSA-N 1 0 344.375 2.010 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095562797 1205875680 /nfs/dbraw/zinc/87/56/80/1205875680.db2.gz DANONKXGKBAGET-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000930768498 1206581495 /nfs/dbraw/zinc/58/14/95/1206581495.db2.gz HXIYEWMQVPDHAG-GXFFZTMASA-N 1 0 334.376 2.208 20 5 EEBDRO CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932440631 1207606956 /nfs/dbraw/zinc/60/69/56/1207606956.db2.gz NTQDBVLTMHGRGC-GJZGRUSLSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1cc(N(C)CCCNC(=O)C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001095769874 1208501899 /nfs/dbraw/zinc/50/18/99/1208501899.db2.gz NBLKETUDGUJGRM-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO Cc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544893 1227507322 /nfs/dbraw/zinc/50/73/22/1227507322.db2.gz DISAPCSAAHDPJQ-KYHPRHEASA-N 1 0 343.427 2.144 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC001020020711 1229445642 /nfs/dbraw/zinc/44/56/42/1229445642.db2.gz WZDOFUGTILRFPT-SHTZXODSSA-N 1 0 331.372 2.026 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020105646 1229486302 /nfs/dbraw/zinc/48/63/02/1229486302.db2.gz DRZVMWVLOBLLDK-JOCQHMNTSA-N 1 0 348.428 2.354 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001020206411 1229552998 /nfs/dbraw/zinc/55/29/98/1229552998.db2.gz NEMKASRHXIZXBJ-MGCOHNPYSA-N 1 0 338.414 2.163 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1 ZINC001039583269 1230702733 /nfs/dbraw/zinc/70/27/33/1230702733.db2.gz JTMVJHPGRNGGKB-YYIAUSFCSA-N 1 0 347.459 2.297 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC000902488921 1237702702 /nfs/dbraw/zinc/70/27/02/1237702702.db2.gz OKSROQCWILGMCP-UKRRQHHQSA-N 1 0 334.420 2.434 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000903128854 1239807412 /nfs/dbraw/zinc/80/74/12/1239807412.db2.gz KHYZMZKMJWBPCV-HIFRSBDPSA-N 1 0 347.415 2.495 20 5 EEBDRO Cc1cc(C)cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001001395034 1242188891 /nfs/dbraw/zinc/18/88/91/1242188891.db2.gz IMFMOBNQAXGUMT-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001097205230 1243821053 /nfs/dbraw/zinc/82/10/53/1243821053.db2.gz BSPHNHRSPMMDTM-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097212308 1243833390 /nfs/dbraw/zinc/83/33/90/1243833390.db2.gz QWINVXRKSRPLCJ-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001101810976 1246207054 /nfs/dbraw/zinc/20/70/54/1246207054.db2.gz FKTKWYACXJTKDX-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1nccnc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815651459 1278167038 /nfs/dbraw/zinc/16/70/38/1278167038.db2.gz ULCIYGBPIZRQFK-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC001135212032 1278248581 /nfs/dbraw/zinc/24/85/81/1278248581.db2.gz IBGMHCJDVNVEJK-UHFFFAOYSA-N 1 0 341.367 2.145 20 5 EEBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000721967650 1277787900 /nfs/dbraw/zinc/78/79/00/1277787900.db2.gz LISYNCZAQOWSLU-NSHDSACASA-N 1 0 342.193 2.085 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107670735 1290597803 /nfs/dbraw/zinc/59/78/03/1290597803.db2.gz JOOHKWOBRSKWSJ-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000853129099 1292291338 /nfs/dbraw/zinc/29/13/38/1292291338.db2.gz LHXGGBGPDGQVQD-RBUKOAKNSA-N 1 0 341.411 2.492 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853127797 1292291534 /nfs/dbraw/zinc/29/15/34/1292291534.db2.gz UNDWOFJASBFEDX-FSPWUOQZSA-N 1 0 330.384 2.382 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856414195 1293520174 /nfs/dbraw/zinc/52/01/74/1293520174.db2.gz CDRUOMGCIQAQDH-UHFFFAOYSA-N 1 0 332.404 2.029 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc(Br)c3[N+](=O)[O-])C[C@@H]21 ZINC000856764175 1293623914 /nfs/dbraw/zinc/62/39/14/1293623914.db2.gz ZOWWQWUSLPVQGZ-SKDRFNHKSA-N 1 0 326.194 2.498 20 5 EEBDRO C[NH2+][C@H]1C[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001217953000 1297534783 /nfs/dbraw/zinc/53/47/83/1297534783.db2.gz IVQJHTANUWABEA-KYZUINATSA-N 1 0 348.140 2.329 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001101890210 1299991724 /nfs/dbraw/zinc/99/17/24/1299991724.db2.gz PILRSDACAMUWTD-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(I)n1 ZINC001226811665 1301564234 /nfs/dbraw/zinc/56/42/34/1301564234.db2.gz XHXDFVYUXJKEGG-JTQLQIEISA-N 1 0 335.209 2.468 20 5 EEBDRO COC(=O)c1sc([N+](=O)[O-])cc1OC1CC[NH+](C2CC2)CC1 ZINC001227541873 1301875069 /nfs/dbraw/zinc/87/50/69/1301875069.db2.gz QBDHSBSLUSCSKN-UHFFFAOYSA-N 1 0 326.374 2.449 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(c(Br)c1)C=NC2=O ZINC001229039565 1302585992 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MEHOQKFXQAQDPG-LLVKDONJSA-N 1 0 341.795 2.214 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264809 1310249905 /nfs/dbraw/zinc/24/99/05/1310249905.db2.gz WWWRSYFUPFURJS-SDDRHHMPSA-N 1 0 332.404 2.380 20 5 EEBDRO COc1cc(N2CCC(N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001246966421 1310483658 /nfs/dbraw/zinc/48/36/58/1310483658.db2.gz UJDIMHXAIVIUGV-ZIAGYGMSSA-N 1 0 348.447 2.254 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000834642600 1314857156 /nfs/dbraw/zinc/85/71/56/1314857156.db2.gz SMMSFOAKBMYEBZ-ZWNOBZJWSA-N 1 0 336.348 2.011 20 5 EEBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000839986984 1315269484 /nfs/dbraw/zinc/26/94/84/1315269484.db2.gz CSURSXMQRQUNQE-RDJZCZTQSA-N 1 0 331.372 2.364 20 5 EEBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841068602 1315466775 /nfs/dbraw/zinc/46/67/75/1315466775.db2.gz SGPIZIFEOOXYDQ-UHFFFAOYSA-N 1 0 327.812 2.354 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854850 1315624778 /nfs/dbraw/zinc/62/47/78/1315624778.db2.gz FLWCYXCUYQNXNQ-MNOVXSKESA-N 1 0 326.784 2.317 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000842478554 1315713345 /nfs/dbraw/zinc/71/33/45/1315713345.db2.gz KUZXCIWKBYXMAY-GHMZBOCLSA-N 1 0 340.811 2.103 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000843092718 1315839744 /nfs/dbraw/zinc/83/97/44/1315839744.db2.gz DOMIBSDUJLTXCI-HKUYNNGSSA-N 1 0 344.411 2.438 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094725 1315840378 /nfs/dbraw/zinc/84/03/78/1315840378.db2.gz LGAKICWVJSFOFS-AEFFLSMTSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843353554 1315898136 /nfs/dbraw/zinc/89/81/36/1315898136.db2.gz LDPVTESQKQKBBN-WDEREUQCSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000843472203 1315920402 /nfs/dbraw/zinc/92/04/02/1315920402.db2.gz XDPDWCOFCRMTCM-SCZZXKLOSA-N 1 0 329.759 2.187 20 5 EEBDRO COc1cncc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249341834 1317057149 /nfs/dbraw/zinc/05/71/49/1317057149.db2.gz CHWITUHOOICULO-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccnc1N1CC[NH+](C)CC1 ZINC001249544677 1317113433 /nfs/dbraw/zinc/11/34/33/1317113433.db2.gz QVMFRXRTDATWJO-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO C[C@H]1CCCC[C@H]1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155072664 1317443033 /nfs/dbraw/zinc/44/30/33/1317443033.db2.gz LZKCDAIHFZNYEY-STQMWFEESA-N 1 0 334.424 2.033 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155231753 1317514097 /nfs/dbraw/zinc/51/40/97/1317514097.db2.gz RIWOHABRRSFCOT-CYBMUJFWSA-N 1 0 349.391 2.014 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NCc3noc4c3C[NH2+]CC4)c2c1 ZINC001155498362 1317625333 /nfs/dbraw/zinc/62/53/33/1317625333.db2.gz WWBVGLVCMXKGTM-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc1-c1ccccc1 ZINC001155545409 1317645402 /nfs/dbraw/zinc/64/54/02/1317645402.db2.gz RRZZHGVBGGFPAQ-CXAGYDPISA-N 1 0 326.356 2.200 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001155550842 1317648098 /nfs/dbraw/zinc/64/80/98/1317648098.db2.gz YCMBPDIKSIQTPI-DOMZBBRYSA-N 1 0 334.763 2.397 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)n1 ZINC001155824490 1317749700 /nfs/dbraw/zinc/74/97/00/1317749700.db2.gz SBYBPVHIUKGUER-SMDDNHRTSA-N 1 0 326.784 2.356 20 5 EEBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001156126010 1317889473 /nfs/dbraw/zinc/88/94/73/1317889473.db2.gz RDDILJFZFWHRCI-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001253694723 1317916300 /nfs/dbraw/zinc/91/63/00/1317916300.db2.gz QSYFCFLBXYFLIM-HOTGVXAUSA-N 1 0 334.420 2.309 20 5 EEBDRO C[N@H+](CCC1OCCO1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479996 1318084244 /nfs/dbraw/zinc/08/42/44/1318084244.db2.gz SXGYXYAAXLBSFN-UHFFFAOYSA-N 1 0 335.404 2.258 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001254533159 1318112265 /nfs/dbraw/zinc/11/22/65/1318112265.db2.gz WNJVHJKLHPUOLZ-CZUORRHYSA-N 1 0 341.411 2.372 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001254537664 1318114279 /nfs/dbraw/zinc/11/42/79/1318114279.db2.gz FQQXTKVVULOCKB-XJKSGUPXSA-N 1 0 330.384 2.425 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OC2COC2)n1 ZINC001254544566 1318117487 /nfs/dbraw/zinc/11/74/87/1318117487.db2.gz JZRCVNYVUVPBRJ-ZDUSSCGKSA-N 1 0 343.383 2.488 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001254566975 1318125103 /nfs/dbraw/zinc/12/51/03/1318125103.db2.gz VQKIVASPBQYJJN-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1nccs1 ZINC001254575628 1318127329 /nfs/dbraw/zinc/12/73/29/1318127329.db2.gz RZVVFDKOOGLCLZ-GFCCVEGCSA-N 1 0 332.385 2.137 20 5 EEBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H](O)c1cccc(O)c1 ZINC001254577239 1318127459 /nfs/dbraw/zinc/12/74/59/1318127459.db2.gz DPXHHBNFNHWIHZ-POHZPAGDSA-N 1 0 328.368 2.479 20 5 EEBDRO CCOC(=O)c1ccnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585393 1318133248 /nfs/dbraw/zinc/13/32/48/1318133248.db2.gz WLMVCYLTXURWKH-OAHLLOKOSA-N 1 0 341.367 2.424 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3cnccn3)CC1)C2 ZINC001254606442 1318142041 /nfs/dbraw/zinc/14/20/41/1318142041.db2.gz GILMIECXDHODCQ-MRXNPFEDSA-N 1 0 340.383 2.395 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ncco3)CC2)ccc1[N+](=O)[O-] ZINC001256083461 1318642479 /nfs/dbraw/zinc/64/24/79/1318642479.db2.gz POVWRBLHBGOWOL-UHFFFAOYSA-N 1 0 332.360 2.350 20 5 EEBDRO O=C(NCCC[NH2+]CCCc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775372 1318853327 /nfs/dbraw/zinc/85/33/27/1318853327.db2.gz PXOGGWIYMSSTGU-HUUCEWRRSA-N 1 0 339.823 2.034 20 5 EEBDRO CCC1(Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157784417 1318859359 /nfs/dbraw/zinc/85/93/59/1318859359.db2.gz BDCMTFPLZVZNLY-UHFFFAOYSA-N 1 0 325.678 2.221 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCNc3ccccc32)nc1C1C[NH2+]C1 ZINC001157840189 1318900470 /nfs/dbraw/zinc/90/04/70/1318900470.db2.gz RLKKHVKFLYRIQX-CYBMUJFWSA-N 1 0 326.360 2.040 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)c(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001157979128 1318957505 /nfs/dbraw/zinc/95/75/05/1318957505.db2.gz CNSSRQRVFPEYTD-SSDOTTSWSA-N 1 0 328.159 2.298 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160738895 1320254278 /nfs/dbraw/zinc/25/42/78/1320254278.db2.gz VNHGTXGCMXPPRS-PWSUYJOCSA-N 1 0 341.293 2.490 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161245542 1320432418 /nfs/dbraw/zinc/43/24/18/1320432418.db2.gz DCUWXQFGFNXGGQ-UHFFFAOYSA-N 1 0 342.403 2.291 20 5 EEBDRO [NH3+]CCN(c1ccc(F)cc1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001161881400 1320660501 /nfs/dbraw/zinc/66/05/01/1320660501.db2.gz WUFNIHYBLHODBA-UHFFFAOYSA-N 1 0 326.715 2.118 20 5 EEBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc([N+](=O)[O-])c(C(N)=O)n2)c1 ZINC001162898348 1320984612 /nfs/dbraw/zinc/98/46/12/1320984612.db2.gz CIZLJYNKCIJNCB-VIFPVBQESA-N 1 0 325.328 2.052 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163312918 1321094792 /nfs/dbraw/zinc/09/47/92/1321094792.db2.gz WMXHIVFMMGGPMC-MGPLVRAMSA-N 1 0 347.350 2.000 20 5 EEBDRO O=[N+]([O-])c1c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc2cnccc21 ZINC001163328278 1321098866 /nfs/dbraw/zinc/09/88/66/1321098866.db2.gz PKCQJQQUSFYIHR-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163363981 1321105644 /nfs/dbraw/zinc/10/56/44/1321105644.db2.gz BHDQCKCZVZEGRU-AAEUAGOBSA-N 1 0 336.392 2.307 20 5 EEBDRO CC/C(C)=C/C(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001164447700 1321381195 /nfs/dbraw/zinc/38/11/95/1321381195.db2.gz MWFXVTYAQVNIRZ-UKTHLTGXSA-N 1 0 349.435 2.061 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165434253 1321526239 /nfs/dbraw/zinc/52/62/39/1321526239.db2.gz QMBLIZNMGYVLKL-HNCOSLNKSA-N 1 0 349.410 2.035 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnco1 ZINC001166459510 1321722133 /nfs/dbraw/zinc/72/21/33/1321722133.db2.gz RCRDDSKRKQJOHZ-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO COC(=O)C1(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])CC[NH2+]CC1 ZINC001166954259 1321824546 /nfs/dbraw/zinc/82/45/46/1321824546.db2.gz FLOUZMHMRDTFDH-RUDMXATFSA-N 1 0 339.779 2.295 20 5 EEBDRO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[N@H+](C)CCN1C ZINC001262705884 1322354055 /nfs/dbraw/zinc/35/40/55/1322354055.db2.gz WFJFWWHORVWXNN-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001263134522 1322437114 /nfs/dbraw/zinc/43/71/14/1322437114.db2.gz WFLHDVAMKUAYEX-NSHDSACASA-N 1 0 329.809 2.073 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001307149406 1328431702 /nfs/dbraw/zinc/43/17/02/1328431702.db2.gz IRDDHHXZQBBOCI-HUUCEWRRSA-N 1 0 335.404 2.451 20 5 EEBDRO CC(C)OCCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603352043 1350693522 /nfs/dbraw/zinc/69/35/22/1350693522.db2.gz OFJROEPEEBRLFB-UHFFFAOYSA-N 1 0 334.380 2.022 20 5 EEBDRO CCOC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001308119768 1331565153 /nfs/dbraw/zinc/56/51/53/1331565153.db2.gz CTOPLSSOACYZSQ-ZDUSSCGKSA-N 1 0 349.387 2.117 20 5 EEBDRO CCOc1cc(NC(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC001310944734 1331733840 /nfs/dbraw/zinc/73/38/40/1331733840.db2.gz KSOOWQYIIIXZFJ-UHFFFAOYSA-N 1 0 345.359 2.044 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001317925898 1332443828 /nfs/dbraw/zinc/44/38/28/1332443828.db2.gz XZZNIGRQEWUKTG-GFCCVEGCSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001321267113 1333059083 /nfs/dbraw/zinc/05/90/83/1333059083.db2.gz FEGJXKBEGFLJRU-GOEBONIOSA-N 1 0 335.404 2.271 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001321720625 1333148485 /nfs/dbraw/zinc/14/84/85/1333148485.db2.gz NIXZDFDMNWPJPO-KBPBESRZSA-N 1 0 341.433 2.054 20 5 EEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001322652637 1333301335 /nfs/dbraw/zinc/30/13/35/1333301335.db2.gz DFFWYWQVUZYKIJ-JQWIXIFHSA-N 1 0 326.324 2.174 20 5 EEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC001609111128 1351847168 /nfs/dbraw/zinc/84/71/68/1351847168.db2.gz IRAVDXSMQFHIJR-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325326989 1333864174 /nfs/dbraw/zinc/86/41/74/1333864174.db2.gz RYYYJWNYIZCQTK-UXIGCNINSA-N 1 0 330.388 2.008 20 5 EEBDRO CC[NH+]1CCC(CCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609228024 1351902718 /nfs/dbraw/zinc/90/27/18/1351902718.db2.gz XOYUGFGPFFNRQR-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO Cc1ncc2n1C[C@@H](C(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001327284211 1334259253 /nfs/dbraw/zinc/25/92/53/1334259253.db2.gz UIBMFJVPPXIRNX-ZDUSSCGKSA-N 1 0 326.356 2.205 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336721506 1336585898 /nfs/dbraw/zinc/58/58/98/1336585898.db2.gz HWXRQFHJAJJKJA-ZDUSSCGKSA-N 1 0 347.327 2.033 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001354682753 1338580210 /nfs/dbraw/zinc/58/02/10/1338580210.db2.gz GGRMJQJZDBURFC-BXKDBHETSA-N 1 0 332.385 2.056 20 5 EEBDRO C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576017416 1343946442 /nfs/dbraw/zinc/94/64/42/1343946442.db2.gz SRXWKHUILOJYBH-KBPBESRZSA-N 1 0 334.420 2.469 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])c2ccccc2C)cc([N+](=O)[O-])c1 ZINC001578859015 1344310163 /nfs/dbraw/zinc/31/01/63/1344310163.db2.gz AOTSARXYVFBBEH-HNNXBMFYSA-N 1 0 343.339 2.328 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001579734895 1344410733 /nfs/dbraw/zinc/41/07/33/1344410733.db2.gz RSJMTKVXLULAMW-UHFFFAOYSA-N 1 0 336.392 2.183 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001589715383 1349023951 /nfs/dbraw/zinc/02/39/51/1349023951.db2.gz UAOJCNDWIAHDFQ-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@@H](CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831444 1349052068 /nfs/dbraw/zinc/05/20/68/1349052068.db2.gz YQOFVUZGAVVDAI-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC001603684250 1350741744 /nfs/dbraw/zinc/74/17/44/1350741744.db2.gz XNHXKDFAGFJDFL-SNVBAGLBSA-N 1 0 333.396 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)c1 ZINC000848627774 1373162386 /nfs/dbraw/zinc/16/23/86/1373162386.db2.gz KWHPTZKZZMNGOZ-DYVFJYSZSA-N 1 0 344.371 2.434 20 5 EEBDRO C[C@H](C(=O)N(CCC[NH3+])CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001575049033 1403532153 /nfs/dbraw/zinc/53/21/53/1403532153.db2.gz MQDHNEYHUWDEIZ-JTQLQIEISA-N 1 0 333.310 2.438 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154741136 769166316 /nfs/dbraw/zinc/16/63/16/769166316.db2.gz FPZCFDQUQCNYRQ-AWEZNQCLSA-N 1 0 348.403 2.153 20 5 EEBDRO [NH3+]CCc1nnn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001167790810 770327436 /nfs/dbraw/zinc/32/74/36/770327436.db2.gz MSIAZLLZAQJSBN-UHFFFAOYSA-N 1 0 342.384 2.223 20 5 EEBDRO CCCSC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563268 770779362 /nfs/dbraw/zinc/77/93/62/770779362.db2.gz MJSNKSIVRJAGGL-GFCCVEGCSA-N 1 0 346.474 2.490 20 5 EEBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000068116573 774199721 /nfs/dbraw/zinc/19/97/21/774199721.db2.gz OQBVRDRLFLZWRI-YVEFUNNKSA-N 1 0 334.420 2.417 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000846698358 790433351 /nfs/dbraw/zinc/43/33/51/790433351.db2.gz FZOCRLWDWOHBLO-NXEZZACHSA-N 1 0 347.824 2.057 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC000981763793 778159490 /nfs/dbraw/zinc/15/94/90/778159490.db2.gz LKODAHJWNPGPNV-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC000981765068 778161731 /nfs/dbraw/zinc/16/17/31/778161731.db2.gz OMGXDTPPDJZTPD-HZPDHXFCSA-N 1 0 333.432 2.076 20 5 EEBDRO COc1cc(CN[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000906517822 783959867 /nfs/dbraw/zinc/95/98/67/783959867.db2.gz SWCSPRBUVQKXDM-MGCOHNPYSA-N 1 0 349.309 2.124 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000817491968 784794704 /nfs/dbraw/zinc/79/47/04/784794704.db2.gz VIEOONWOYVSVRJ-CYBMUJFWSA-N 1 0 327.331 2.239 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000907745256 784822571 /nfs/dbraw/zinc/82/25/71/784822571.db2.gz XETNWSBWZXAMBB-LLVKDONJSA-N 1 0 340.811 2.387 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818020154 785146645 /nfs/dbraw/zinc/14/66/45/785146645.db2.gz YDJZFPZGPKTHLH-KRWDZBQOSA-N 1 0 326.356 2.111 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818288440 785234080 /nfs/dbraw/zinc/23/40/80/785234080.db2.gz AZHFPQSPDYUWCZ-VXGBXAGGSA-N 1 0 329.759 2.316 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818522117 785270752 /nfs/dbraw/zinc/27/07/52/785270752.db2.gz BKCCXMPXYDLVEF-GWCFXTLKSA-N 1 0 336.348 2.059 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000819339781 785514171 /nfs/dbraw/zinc/51/41/71/785514171.db2.gz PKMSQXGNRNJISL-MSOLQXFVSA-N 1 0 330.384 2.476 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001107239852 786593668 /nfs/dbraw/zinc/59/36/68/786593668.db2.gz ZSXUMVCUSMWWTA-ONEGZZNKSA-N 1 0 346.431 2.329 20 5 EEBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000910852635 787066694 /nfs/dbraw/zinc/06/66/94/787066694.db2.gz USHNFMHWPISNKS-UHFFFAOYSA-N 1 0 349.431 2.150 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823790720 787946737 /nfs/dbraw/zinc/94/67/37/787946737.db2.gz KIXLCLSPZHCJSI-YQFWSFKMSA-N 1 0 329.400 2.108 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000913290763 788767747 /nfs/dbraw/zinc/76/77/47/788767747.db2.gz REKULFREBUPGSY-IAGOWNOFSA-N 1 0 333.388 2.017 20 5 EEBDRO [NH3+][C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000923377753 789459516 /nfs/dbraw/zinc/45/95/16/789459516.db2.gz BOYFABDVFJMWTM-RCCFBDPRSA-N 1 0 345.374 2.194 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ncnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171282539 791421381 /nfs/dbraw/zinc/42/13/81/791421381.db2.gz RISUETZDXZXGSG-UHFFFAOYSA-N 1 0 348.794 2.060 20 5 EEBDRO Cc1c(F)cnc(NCc2ccccc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001171282922 791425395 /nfs/dbraw/zinc/42/53/95/791425395.db2.gz IXYSIVFXPNBTSN-UHFFFAOYSA-N 1 0 345.378 2.459 20 5 EEBDRO COc1ccsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148626585 792611813 /nfs/dbraw/zinc/61/18/13/792611813.db2.gz UOERKFDIQIKXSV-UHFFFAOYSA-N 1 0 335.385 2.185 20 5 EEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173182399 797280285 /nfs/dbraw/zinc/28/02/85/797280285.db2.gz ROTPVNMUMVSQJD-GHMZBOCLSA-N 1 0 340.351 2.168 20 5 EEBDRO COCCOc1nccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173224093 797307884 /nfs/dbraw/zinc/30/78/84/797307884.db2.gz LSYIVNFKVQJCMJ-CYBMUJFWSA-N 1 0 346.387 2.131 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001173211915 797314827 /nfs/dbraw/zinc/31/48/27/797314827.db2.gz VJHHCIVTTRIKLV-CZUORRHYSA-N 1 0 341.411 2.372 20 5 EEBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001106874173 797633932 /nfs/dbraw/zinc/63/39/32/797633932.db2.gz ULPCWMDFPMKMRU-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)n1 ZINC000785856276 806613859 /nfs/dbraw/zinc/61/38/59/806613859.db2.gz JUWSODNQTNMQOZ-OAHLLOKOSA-N 1 0 334.351 2.301 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000917008799 798011599 /nfs/dbraw/zinc/01/15/99/798011599.db2.gz RRMJXERIMBAMJA-INIZCTEOSA-N 1 0 348.403 2.360 20 5 EEBDRO CC1CC[NH+](CC(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001110207054 798922759 /nfs/dbraw/zinc/92/27/59/798922759.db2.gz OEPXATHRXZJPOM-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082894 802110578 /nfs/dbraw/zinc/11/05/78/802110578.db2.gz HBKVJLNYGMKQLE-RBLKWDMZSA-N 1 0 343.836 2.051 20 5 EEBDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001086082807 802111066 /nfs/dbraw/zinc/11/10/66/802111066.db2.gz DVBVUNICQUPWMR-KYHPRHEASA-N 1 0 345.443 2.261 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc([N+](=O)[O-])cc4cc[nH]c43)n2)c1 ZINC001168885021 803501181 /nfs/dbraw/zinc/50/11/81/803501181.db2.gz QLSGPTAWZLSLMW-UHFFFAOYSA-N 1 0 335.327 2.178 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964196 803551983 /nfs/dbraw/zinc/55/19/83/803551983.db2.gz RTTKWOHKWQGIAU-FQUUOJAGSA-N 1 0 327.425 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965993 803552908 /nfs/dbraw/zinc/55/29/08/803552908.db2.gz FMDNMUXQQXKGNV-GXTWGEPZSA-N 1 0 327.425 2.278 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001168990954 803574445 /nfs/dbraw/zinc/57/44/45/803574445.db2.gz FVSYIZINVYJVTC-ZIAGYGMSSA-N 1 0 326.368 2.386 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001169043741 803584791 /nfs/dbraw/zinc/58/47/91/803584791.db2.gz HNSKPFKEQCUNJC-HIFRSBDPSA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)C1 ZINC001169019350 803587610 /nfs/dbraw/zinc/58/76/10/803587610.db2.gz HXUIYMWGAKSEHL-SOLBZPMBSA-N 1 0 345.447 2.214 20 5 EEBDRO O=C1CCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001169020315 803587903 /nfs/dbraw/zinc/58/79/03/803587903.db2.gz LBBKPQHEROJFKQ-CVEARBPZSA-N 1 0 335.448 2.299 20 5 EEBDRO O=C(CCn1cccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001169185602 803643596 /nfs/dbraw/zinc/64/35/96/803643596.db2.gz WUZKVONNQWFPAT-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO CCOC(=O)C1(Nc2c(Cl)nccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169491752 803816395 /nfs/dbraw/zinc/81/63/95/803816395.db2.gz IOZLNJJCQZUZQW-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO CC(C)[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](C)C ZINC000787962073 807317784 /nfs/dbraw/zinc/31/77/84/807317784.db2.gz NSKCCAWSAZUZQI-AWEZNQCLSA-N 1 0 348.359 2.274 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000788474174 807542135 /nfs/dbraw/zinc/54/21/35/807542135.db2.gz MISOUMVHGVBJFQ-INIZCTEOSA-N 1 0 330.388 2.306 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790644842 808862505 /nfs/dbraw/zinc/86/25/05/808862505.db2.gz WDMBMJTVDRJRLG-UHFFFAOYSA-N 1 0 343.786 2.484 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)nn2)c([N+](=O)[O-])c1 ZINC001170304298 809873761 /nfs/dbraw/zinc/87/37/61/809873761.db2.gz BDIBZSZTVSHWEC-LLVKDONJSA-N 1 0 332.360 2.123 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCc2noc(C)n2)c([N+](=O)[O-])c1 ZINC001170335414 809898991 /nfs/dbraw/zinc/89/89/91/809898991.db2.gz NBHVWYZLTBFSFC-LLVKDONJSA-N 1 0 334.376 2.400 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001170356106 809903619 /nfs/dbraw/zinc/90/36/19/809903619.db2.gz XFUBHLZPYKUZHV-ZOWXZIJZSA-N 1 0 336.388 2.275 20 5 EEBDRO COc1ccc(C[C@H](C)[N@H+](C)C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170346554 809917060 /nfs/dbraw/zinc/91/70/60/809917060.db2.gz ODMUUMMKWCPJKX-ZDUSSCGKSA-N 1 0 349.431 2.477 20 5 EEBDRO C[NH+]1CCC(NC(=S)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000793310197 810247179 /nfs/dbraw/zinc/24/71/79/810247179.db2.gz VHEIWPRLJOKEFP-UHFFFAOYSA-N 1 0 336.461 2.388 20 5 EEBDRO CC[NH+]1CCC(C[NH2+][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001596404302 983973357 /nfs/dbraw/zinc/97/33/57/983973357.db2.gz YHZIRVCMOVFWJM-KRWDZBQOSA-N 1 0 335.404 2.216 20 5 EEBDRO C[C@H](c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001527142573 1120689675 /nfs/dbraw/zinc/68/96/75/1120689675.db2.gz QHBDDWGNNDWQKO-CYBMUJFWSA-N 1 0 348.451 2.090 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000187970341 236363087 /nfs/dbraw/zinc/36/30/87/236363087.db2.gz FJAKKWMXTWSCDE-AWEZNQCLSA-N 1 0 347.415 2.470 20 5 EEBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089552 216006204 /nfs/dbraw/zinc/00/62/04/216006204.db2.gz QWWWKHMGRIPHSH-OAHLLOKOSA-N 1 0 344.415 2.162 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237401497 296024204 /nfs/dbraw/zinc/02/42/04/296024204.db2.gz XPCHGROZIATPKU-SKDRFNHKSA-N 1 0 347.824 2.139 20 5 EEBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000419925950 239585288 /nfs/dbraw/zinc/58/52/88/239585288.db2.gz UHBLDLOEEYYBPE-UHFFFAOYSA-N 1 0 349.387 2.366 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000422797052 240231170 /nfs/dbraw/zinc/23/11/70/240231170.db2.gz LCYWFWRLSRKOOU-CQSZACIVSA-N 1 0 345.403 2.364 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000132822257 223365582 /nfs/dbraw/zinc/36/55/82/223365582.db2.gz RNJPEWDKFVKFSC-HOCLYGCPSA-N 1 0 334.420 2.478 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449690702 242602000 /nfs/dbraw/zinc/60/20/00/242602000.db2.gz QZGCIEKAIRRFKY-CABCVRRESA-N 1 0 347.415 2.455 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750655 242622132 /nfs/dbraw/zinc/62/21/32/242622132.db2.gz JPPBEFKXEYZUMS-ZANVPECISA-N 1 0 341.795 2.272 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000237691456 242755447 /nfs/dbraw/zinc/75/54/47/242755447.db2.gz WVRVJQSOWQJYIX-VNHYZAJKSA-N 1 0 346.431 2.250 20 5 EEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451788478 243262691 /nfs/dbraw/zinc/26/26/91/243262691.db2.gz KYZIIWNKOAEUPG-KBPBESRZSA-N 1 0 340.420 2.063 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000074764199 203292955 /nfs/dbraw/zinc/29/29/55/203292955.db2.gz CXIWCBQHCIIRAO-HNNXBMFYSA-N 1 0 332.404 2.017 20 5 EEBDRO CCc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000075624496 203321497 /nfs/dbraw/zinc/32/14/97/203321497.db2.gz VNSDAGKZNXGEKZ-SFHVURJKSA-N 1 0 344.415 2.379 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394072 203615270 /nfs/dbraw/zinc/61/52/70/203615270.db2.gz YVFKOXLQEQNKML-OCCSQVGLSA-N 1 0 345.403 2.307 20 5 EEBDRO Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000136876032 205516777 /nfs/dbraw/zinc/51/67/77/205516777.db2.gz IRDQHMFBSUNUCR-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000112074975 220239961 /nfs/dbraw/zinc/23/99/61/220239961.db2.gz ZKNNHKBDPCJSSC-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265020851 247140069 /nfs/dbraw/zinc/14/00/69/247140069.db2.gz HBQMUCUPPIMUFI-CYBMUJFWSA-N 1 0 334.372 2.249 20 5 EEBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000265077876 247182644 /nfs/dbraw/zinc/18/26/44/247182644.db2.gz ZAEXLSDIMNUIKE-UHFFFAOYSA-N 1 0 329.784 2.280 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266429997 248297183 /nfs/dbraw/zinc/29/71/83/248297183.db2.gz UETHXPAUZCIOLX-ZDUSSCGKSA-N 1 0 348.403 2.329 20 5 EEBDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000174704623 207047596 /nfs/dbraw/zinc/04/75/96/207047596.db2.gz DOGXFMASPPKQOK-WBVHZDCISA-N 1 0 348.403 2.148 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176884538 207270576 /nfs/dbraw/zinc/27/05/76/207270576.db2.gz IMRAYOFRSZCNTL-LBPRGKRZSA-N 1 0 343.811 2.335 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179778523 207689018 /nfs/dbraw/zinc/68/90/18/207689018.db2.gz JNYIGARXTWZAGY-GFCCVEGCSA-N 1 0 328.372 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c2ccncc21 ZINC000267088854 256025823 /nfs/dbraw/zinc/02/58/23/256025823.db2.gz UDZZWXFDIBWCPS-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1C ZINC000177759622 140852996 /nfs/dbraw/zinc/85/29/96/140852996.db2.gz ZYCYWTCKICQIKI-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000119834618 142379393 /nfs/dbraw/zinc/37/93/93/142379393.db2.gz MBUNQVKXCNFCRW-AWEZNQCLSA-N 1 0 349.435 2.103 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000117760483 152083940 /nfs/dbraw/zinc/08/39/40/152083940.db2.gz APIPTRCJBFOSAZ-CQSZACIVSA-N 1 0 325.796 2.247 20 5 EEBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1CO ZINC000190912190 152227943 /nfs/dbraw/zinc/22/79/43/152227943.db2.gz YLUHSULHOYRFIH-OCCSQVGLSA-N 1 0 331.372 2.353 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCOC1 ZINC000352220097 153009254 /nfs/dbraw/zinc/00/92/54/153009254.db2.gz HBGLUVWOFJLKLD-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000352223316 153010926 /nfs/dbraw/zinc/01/09/26/153010926.db2.gz VCQSLOUGICNWQJ-ZDUSSCGKSA-N 1 0 335.360 2.004 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000352223315 153011560 /nfs/dbraw/zinc/01/15/60/153011560.db2.gz VCQSLOUGICNWQJ-CYBMUJFWSA-N 1 0 335.360 2.004 20 5 EEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000374295004 154034964 /nfs/dbraw/zinc/03/49/64/154034964.db2.gz LKTICSUQHROETL-DLBZAZTESA-N 1 0 325.368 2.422 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000249004474 160370596 /nfs/dbraw/zinc/37/05/96/160370596.db2.gz HUWXFOMMTLBBAQ-KBAYOESNSA-N 1 0 344.415 2.153 20 5 EEBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387281 159011192 /nfs/dbraw/zinc/01/11/92/159011192.db2.gz XXMKVACTYBPURW-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087057037 159171368 /nfs/dbraw/zinc/17/13/68/159171368.db2.gz ZDWPNYWLMJQWKL-CQSZACIVSA-N 1 0 346.431 2.394 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000103120524 159272970 /nfs/dbraw/zinc/27/29/70/159272970.db2.gz WUWIXKZHKGQGTO-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000245715932 160249746 /nfs/dbraw/zinc/24/97/46/160249746.db2.gz GVJXXRMUPPCZES-KGLIPLIRSA-N 1 0 335.404 2.281 20 5 EEBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(-n2cccn2)c1 ZINC000341869968 161020021 /nfs/dbraw/zinc/02/00/21/161020021.db2.gz QYQAHUOANJXDHX-GFCCVEGCSA-N 1 0 326.360 2.365 20 5 EEBDRO C[C@@H]1C[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343787276 161168109 /nfs/dbraw/zinc/16/81/09/161168109.db2.gz LBRHFKQWANWUKE-CYBMUJFWSA-N 1 0 330.388 2.428 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000344136741 161201375 /nfs/dbraw/zinc/20/13/75/161201375.db2.gz UUTCSBXIKSTBCN-UHFFFAOYSA-N 1 0 334.464 2.444 20 5 EEBDRO CC(=O)NC1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000344144059 161201901 /nfs/dbraw/zinc/20/19/01/161201901.db2.gz OJUMQQYKTAWMFT-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344705574 161237610 /nfs/dbraw/zinc/23/76/10/161237610.db2.gz KWDLIVVFQJBQKB-HNNXBMFYSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345975072 161346864 /nfs/dbraw/zinc/34/68/64/161346864.db2.gz XTKOQMGHZBFTDE-UONOGXRCSA-N 1 0 335.404 2.305 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000346685656 161391785 /nfs/dbraw/zinc/39/17/85/161391785.db2.gz IVCVGHUCJIPALM-QWHCGFSZSA-N 1 0 349.387 2.115 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352439043 162135366 /nfs/dbraw/zinc/13/53/66/162135366.db2.gz OAGOAVRVNPCWIS-GASCZTMLSA-N 1 0 340.383 2.127 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000352576713 162196419 /nfs/dbraw/zinc/19/64/19/162196419.db2.gz LHKNFSAAAMWKBR-SNVBAGLBSA-N 1 0 349.478 2.363 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354371325 162845614 /nfs/dbraw/zinc/84/56/14/162845614.db2.gz HAVSOWRUJPSKAW-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CCOc1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000356798601 163546561 /nfs/dbraw/zinc/54/65/61/163546561.db2.gz WHAKIOGOUGXRON-HIFRSBDPSA-N 1 0 325.434 2.475 20 5 EEBDRO COCCSCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683556 166313105 /nfs/dbraw/zinc/31/31/05/166313105.db2.gz MSVDBGPHWWXXRC-UHFFFAOYSA-N 1 0 328.438 2.198 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000374926197 167069962 /nfs/dbraw/zinc/06/99/62/167069962.db2.gz DUMQGDFEUDUNJV-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000375961399 167235528 /nfs/dbraw/zinc/23/55/28/167235528.db2.gz BPUVCFMZHDJHKU-INIZCTEOSA-N 1 0 341.367 2.220 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000376177043 167276753 /nfs/dbraw/zinc/27/67/53/167276753.db2.gz ZOGKQFYHCQFVGW-INIZCTEOSA-N 1 0 346.431 2.014 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000376232829 167286583 /nfs/dbraw/zinc/28/65/83/167286583.db2.gz QFRHTAGSTNRUAP-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520814 167342212 /nfs/dbraw/zinc/34/22/12/167342212.db2.gz XINYDKVKIDVESZ-YPMHNXCESA-N 1 0 347.371 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000275599414 269128693 /nfs/dbraw/zinc/12/86/93/269128693.db2.gz GNPKYGWZMDLTAW-OAHLLOKOSA-N 1 0 338.433 2.462 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280100156 269327773 /nfs/dbraw/zinc/32/77/73/269327773.db2.gz OZYCOOGWQGZPIU-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO O=C(NC1CC1)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280206400 269337900 /nfs/dbraw/zinc/33/79/00/269337900.db2.gz JTDFYGGSRLUXEB-UHFFFAOYSA-N 1 0 330.388 2.161 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280521623 269369225 /nfs/dbraw/zinc/36/92/25/269369225.db2.gz BBRBCGWJEBZGHI-JOCHJYFZSA-N 1 0 326.418 2.384 20 5 EEBDRO C[NH+](C)CC1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281132476 269406854 /nfs/dbraw/zinc/40/68/54/269406854.db2.gz UHXLOVNXMSITDC-UHFFFAOYSA-N 1 0 327.331 2.287 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000281492560 269427938 /nfs/dbraw/zinc/42/79/38/269427938.db2.gz UFROVZAAGMLMLW-HNNXBMFYSA-N 1 0 347.415 2.226 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000281694533 269440224 /nfs/dbraw/zinc/44/02/24/269440224.db2.gz NGSQFCLTCUUXFI-GOSISDBHSA-N 1 0 328.368 2.397 20 5 EEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000282937281 269524682 /nfs/dbraw/zinc/52/46/82/269524682.db2.gz YSRQLJAJGFDSFX-QLJPJBMISA-N 1 0 333.344 2.367 20 5 EEBDRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])cc1F ZINC000421035909 274094418 /nfs/dbraw/zinc/09/44/18/274094418.db2.gz PPMBREREKZRTIG-NSHDSACASA-N 1 0 342.367 2.416 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272507405 274173941 /nfs/dbraw/zinc/17/39/41/274173941.db2.gz OLEJYZQBOXNFOU-UHFFFAOYSA-N 1 0 340.855 2.318 20 5 EEBDRO NC(=O)c1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343494 274190176 /nfs/dbraw/zinc/19/01/76/274190176.db2.gz IWJIBZOHDSUMTN-FZMZJTMJSA-N 1 0 344.371 2.183 20 5 EEBDRO COCCSCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000278544391 274369746 /nfs/dbraw/zinc/36/97/46/274369746.db2.gz SIPFTIGPMVKKJT-UHFFFAOYSA-N 1 0 339.461 2.487 20 5 EEBDRO COc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285709356 274779086 /nfs/dbraw/zinc/77/90/86/274779086.db2.gz HWCBGFAVEPYLEB-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2O1 ZINC000288597230 275074204 /nfs/dbraw/zinc/07/42/04/275074204.db2.gz DWSGLHARYLIBST-UHFFFAOYSA-N 1 0 343.383 2.430 20 5 EEBDRO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000423710918 275842164 /nfs/dbraw/zinc/84/21/64/275842164.db2.gz QHZHKXZPQKJQMP-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000450922430 276194112 /nfs/dbraw/zinc/19/41/12/276194112.db2.gz NTAKCFFORHLSNU-UHFFFAOYSA-N 1 0 341.843 2.471 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000151030024 277041788 /nfs/dbraw/zinc/04/17/88/277041788.db2.gz PMKWEDWNRVXMIN-PWSUYJOCSA-N 1 0 341.795 2.226 20 5 EEBDRO CNc1nc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000456007219 277304006 /nfs/dbraw/zinc/30/40/06/277304006.db2.gz NCTNZCPOXCNQHO-GFCCVEGCSA-N 1 0 335.408 2.026 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000365601883 280365365 /nfs/dbraw/zinc/36/53/65/280365365.db2.gz QZOSVXNRDFGWNJ-NVXWUHKLSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449596758 289788785 /nfs/dbraw/zinc/78/87/85/289788785.db2.gz YEDZYZOLDVJNHJ-AGIUHOORSA-N 1 0 334.420 2.297 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H](C[NH+](C)C)C1 ZINC000293012499 293102105 /nfs/dbraw/zinc/10/21/05/293102105.db2.gz IKIMLBJMHLFHBH-LLVKDONJSA-N 1 0 339.367 2.299 20 5 EEBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000293037578 293108772 /nfs/dbraw/zinc/10/87/72/293108772.db2.gz LTFUMZTZXPEWPK-KRWDZBQOSA-N 1 0 349.431 2.334 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293603405 293249354 /nfs/dbraw/zinc/24/93/54/293249354.db2.gz ZYQBMTRMOBVSQY-SLEUVZQESA-N 1 0 335.429 2.286 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000294080581 293365773 /nfs/dbraw/zinc/36/57/73/293365773.db2.gz WSXLVRLLIGJDKD-PHIMTYICSA-N 1 0 325.796 2.342 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294215195 293397615 /nfs/dbraw/zinc/39/76/15/293397615.db2.gz QTKSRSVHDAHOQG-GOSISDBHSA-N 1 0 347.415 2.308 20 5 EEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247634 293924556 /nfs/dbraw/zinc/92/45/56/293924556.db2.gz NRQHPHCRBNPLAP-CABCVRRESA-N 1 0 333.388 2.131 20 5 EEBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000297381749 294228172 /nfs/dbraw/zinc/22/81/72/294228172.db2.gz DKBOGTXHXNYEFH-INIZCTEOSA-N 1 0 331.376 2.074 20 5 EEBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000298515172 294517451 /nfs/dbraw/zinc/51/74/51/294517451.db2.gz KWXJDJNWKGWYQU-HNNXBMFYSA-N 1 0 346.391 2.039 20 5 EEBDRO Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000301102479 294822641 /nfs/dbraw/zinc/82/26/41/294822641.db2.gz POVHXJQMQBMABE-NSHDSACASA-N 1 0 332.364 2.199 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301883927 294906936 /nfs/dbraw/zinc/90/69/36/294906936.db2.gz NPEXWSKWOZPSMU-GFCCVEGCSA-N 1 0 340.399 2.180 20 5 EEBDRO C[NH+](C)CCCC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301969042 294915748 /nfs/dbraw/zinc/91/57/48/294915748.db2.gz QCEYDPGCAHWKTD-UHFFFAOYSA-N 1 0 332.408 2.196 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237576610 298994960 /nfs/dbraw/zinc/99/49/60/298994960.db2.gz XPCHGROZIATPKU-JOYOIKCWSA-N 1 0 347.824 2.139 20 5 EEBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCOCC1 ZINC000165106361 311390248 /nfs/dbraw/zinc/39/02/48/311390248.db2.gz AITHJPHYCOSKMS-XJKSGUPXSA-N 1 0 335.404 2.191 20 5 EEBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313338099 311587163 /nfs/dbraw/zinc/58/71/63/311587163.db2.gz DNBUPMGVRKPIRU-INIZCTEOSA-N 1 0 341.367 2.390 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190627 311826168 /nfs/dbraw/zinc/82/61/68/311826168.db2.gz PPKYEIFLUDSGKE-TUKIKUTGSA-N 1 0 341.433 2.106 20 5 EEBDRO COc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000332514800 312018291 /nfs/dbraw/zinc/01/82/91/312018291.db2.gz JMOJYLIIZOWRLB-OCCSQVGLSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686259 312045405 /nfs/dbraw/zinc/04/54/05/312045405.db2.gz VOCHQIXXOTWESR-WDEREUQCSA-N 1 0 339.342 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc21 ZINC000413177771 312812191 /nfs/dbraw/zinc/81/21/91/312812191.db2.gz MHMWLMKYTUAUPF-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000414553166 313039808 /nfs/dbraw/zinc/03/98/08/313039808.db2.gz ICRSAZJVODSWIB-DAXSKMNVSA-N 1 0 338.429 2.413 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)o2)c1 ZINC000414559661 313041655 /nfs/dbraw/zinc/04/16/55/313041655.db2.gz PEKHBMUXXYOIIQ-XJKSGUPXSA-N 1 0 332.356 2.030 20 5 EEBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000421009551 314023597 /nfs/dbraw/zinc/02/35/97/314023597.db2.gz FLXAUVLHCQWUFT-RHSMWYFYSA-N 1 0 347.415 2.185 20 5 EEBDRO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CO ZINC000425449668 314397367 /nfs/dbraw/zinc/39/73/67/314397367.db2.gz SVUIGNKRFVQCKE-KOLCDFICSA-N 1 0 329.194 2.418 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621260 315088815 /nfs/dbraw/zinc/08/88/15/315088815.db2.gz CAPPDZGSJCTVFI-QLFBSQMISA-N 1 0 333.388 2.103 20 5 EEBDRO CS(=O)(=O)c1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000449211326 315432853 /nfs/dbraw/zinc/43/28/53/315432853.db2.gz SYFMZEMHLQLZLZ-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000527054859 317146972 /nfs/dbraw/zinc/14/69/72/317146972.db2.gz LQZHCZXXEDTOJG-OOXMNIKJSA-N 1 0 344.415 2.488 20 5 EEBDRO C[N@@H+]1CCCC12CCN(c1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])CC2 ZINC000527073550 317149603 /nfs/dbraw/zinc/14/96/03/317149603.db2.gz RQTXHXJCKNJTAH-UHFFFAOYSA-N 1 0 343.387 2.308 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000542523464 318131381 /nfs/dbraw/zinc/13/13/81/318131381.db2.gz WPEWUXBCFHPYLX-LLVKDONJSA-N 1 0 349.387 2.126 20 5 EEBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000542964555 318148534 /nfs/dbraw/zinc/14/85/34/318148534.db2.gz RMGBDRCYZPVQPO-GFCCVEGCSA-N 1 0 336.392 2.455 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194378 318206541 /nfs/dbraw/zinc/20/65/41/318206541.db2.gz USEGHKHIGNGBAY-CZUORRHYSA-N 1 0 342.399 2.184 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548370312 318382161 /nfs/dbraw/zinc/38/21/61/318382161.db2.gz GYXSEOHWXDAMGA-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000562837632 318937789 /nfs/dbraw/zinc/93/77/89/318937789.db2.gz SNNOIOLJDCIJNB-DLBZAZTESA-N 1 0 346.431 2.448 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000563695104 319037937 /nfs/dbraw/zinc/03/79/37/319037937.db2.gz DJXHXKGUKNEYKR-HUUCEWRRSA-N 1 0 346.431 2.448 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000573791141 319966021 /nfs/dbraw/zinc/96/60/21/319966021.db2.gz DOOJOJBMNCWYMS-WMLDXEAASA-N 1 0 344.415 2.019 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H](CO)Cc2ccccc2)n1 ZINC000574068786 319992687 /nfs/dbraw/zinc/99/26/87/319992687.db2.gz TWFFKYXJICXCPA-ZACQAIPSSA-N 1 0 344.415 2.468 20 5 EEBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000574566929 320036783 /nfs/dbraw/zinc/03/67/83/320036783.db2.gz VAEOORBCOBYBIV-YCPHGPKFSA-N 1 0 338.404 2.129 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C(C)C)cc1SC ZINC000575121808 320088506 /nfs/dbraw/zinc/08/85/06/320088506.db2.gz HTNXMDPJNAYRFY-UHFFFAOYSA-N 1 0 341.433 2.443 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000577281072 320246769 /nfs/dbraw/zinc/24/67/69/320246769.db2.gz LXYUKQMBZPVORF-CYBMUJFWSA-N 1 0 334.420 2.055 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000387683640 323538491 /nfs/dbraw/zinc/53/84/91/323538491.db2.gz STXDVTHIFNWFLY-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000580930655 324152965 /nfs/dbraw/zinc/15/29/65/324152965.db2.gz WOWJDVJXRBGVQN-HZSPNIEDSA-N 1 0 332.404 2.090 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296039585 465059006 /nfs/dbraw/zinc/05/90/06/465059006.db2.gz NARLCKHGKSKECJ-HNNXBMFYSA-N 1 0 335.404 2.041 20 5 EEBDRO CC1=CC[N@H+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000358325916 465060012 /nfs/dbraw/zinc/06/00/12/465060012.db2.gz BYJPKNIXTCMSIO-UHFFFAOYSA-N 1 0 329.360 2.709 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000296053124 465065404 /nfs/dbraw/zinc/06/54/04/465065404.db2.gz BBPNGIXXZDTOFQ-GFCCVEGCSA-N 1 0 339.417 2.369 20 5 EEBDRO CC[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339157097 465114149 /nfs/dbraw/zinc/11/41/49/465114149.db2.gz QPHLWMMRJJVXFC-UHFFFAOYSA-N 1 0 336.310 2.444 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419844 465187937 /nfs/dbraw/zinc/18/79/37/465187937.db2.gz VMVCSKRGLDXCPR-CRAIPNDOSA-N 1 0 347.415 2.277 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000351512404 465194412 /nfs/dbraw/zinc/19/44/12/465194412.db2.gz NNDMDWRTFCNBEL-UHFFFAOYSA-N 1 0 336.392 2.169 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354955961 465216032 /nfs/dbraw/zinc/21/60/32/465216032.db2.gz YDJQZQQRRRKUBP-LLVKDONJSA-N 1 0 344.371 2.015 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000590632610 468292230 /nfs/dbraw/zinc/29/22/30/468292230.db2.gz PUNXLLCKHPCCBY-HNNXBMFYSA-N 1 0 345.399 2.158 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000153274871 462633182 /nfs/dbraw/zinc/63/31/82/462633182.db2.gz DHAGRMVQBYIFMC-OAHLLOKOSA-N 1 0 335.379 2.363 20 5 EEBDRO CC(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000153558354 462664586 /nfs/dbraw/zinc/66/45/86/462664586.db2.gz JQUOWOGNCKLKSP-CYBMUJFWSA-N 1 0 328.800 2.412 20 5 EEBDRO CN1CC[NH+](CCCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153579353 462666877 /nfs/dbraw/zinc/66/68/77/462666877.db2.gz KJTVKEONHUOZMN-UHFFFAOYSA-N 1 0 327.816 2.083 20 5 EEBDRO O=C(CN1CC[C@]2(CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153813531 462694731 /nfs/dbraw/zinc/69/47/31/462694731.db2.gz FYNHEIRRGCNVDF-HNNXBMFYSA-N 1 0 339.779 2.299 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129327672 462700980 /nfs/dbraw/zinc/70/09/80/462700980.db2.gz FDRYLHCDPCOOLE-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000047320045 462768121 /nfs/dbraw/zinc/76/81/21/462768121.db2.gz XYYSVHFWIRAOIQ-UHFFFAOYSA-N 1 0 334.376 2.163 20 5 EEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394069 462787894 /nfs/dbraw/zinc/78/78/94/462787894.db2.gz YVFKOXLQEQNKML-TZMCWYRMSA-N 1 0 345.403 2.307 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000090552106 462797812 /nfs/dbraw/zinc/79/78/12/462797812.db2.gz FAOVLSVTXUQIBO-AWEZNQCLSA-N 1 0 331.347 2.385 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000047978868 462844140 /nfs/dbraw/zinc/84/41/40/462844140.db2.gz QCTYWRAJDJSMHM-HNNXBMFYSA-N 1 0 347.415 2.342 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000133439429 462931303 /nfs/dbraw/zinc/93/13/03/462931303.db2.gz NVCGNCVIAZEUSA-OAHLLOKOSA-N 1 0 349.434 2.365 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000067264616 462983902 /nfs/dbraw/zinc/98/39/02/462983902.db2.gz UDNNINJIVXVFRN-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1nn(C)c(NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000051900350 463053674 /nfs/dbraw/zinc/05/36/74/463053674.db2.gz JYGYNGJDMZMHBV-UHFFFAOYSA-N 1 0 329.404 2.497 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000026256877 463157458 /nfs/dbraw/zinc/15/74/58/463157458.db2.gz PHQAIYKWULZYMO-UHFFFAOYSA-N 1 0 331.376 2.097 20 5 EEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136458170 463241671 /nfs/dbraw/zinc/24/16/71/463241671.db2.gz KOLNYEUJOBTXLS-UHFFFAOYSA-N 1 0 347.375 2.291 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000080676827 463346262 /nfs/dbraw/zinc/34/62/62/463346262.db2.gz PDYBHRGFEBNFEG-NSHDSACASA-N 1 0 336.783 2.335 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000098014359 463367035 /nfs/dbraw/zinc/36/70/35/463367035.db2.gz KEDGTYKVQQGIMY-LRDDRELGSA-N 1 0 343.387 2.175 20 5 EEBDRO Cc1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032296845 463370341 /nfs/dbraw/zinc/37/03/41/463370341.db2.gz UDHTWYZDHLXWCV-OKILXGFUSA-N 1 0 335.404 2.132 20 5 EEBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000032398798 463374936 /nfs/dbraw/zinc/37/49/36/463374936.db2.gz SSUMJCLXRZQWTM-UHFFFAOYSA-N 1 0 329.356 2.366 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000056529385 463407502 /nfs/dbraw/zinc/40/75/02/463407502.db2.gz UDARTVNYAUJGNM-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000150279673 463412521 /nfs/dbraw/zinc/41/25/21/463412521.db2.gz FAVXZDKHLJUARK-UHFFFAOYSA-N 1 0 331.294 2.391 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000568588342 468358320 /nfs/dbraw/zinc/35/83/20/468358320.db2.gz HBOKRHOVJBEIMI-UHFFFAOYSA-N 1 0 349.435 2.104 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000072637081 463528559 /nfs/dbraw/zinc/52/85/59/463528559.db2.gz ZWJADRJWEGKQBB-HZPDHXFCSA-N 1 0 332.448 2.368 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)nc2c1 ZINC000083170254 463537614 /nfs/dbraw/zinc/53/76/14/463537614.db2.gz PIQINPVYPRNBLH-NSHDSACASA-N 1 0 333.344 2.321 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164147257 463615072 /nfs/dbraw/zinc/61/50/72/463615072.db2.gz NMPHWZDWPWLMPN-CJNGLKHVSA-N 1 0 346.431 2.217 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000127055876 463679443 /nfs/dbraw/zinc/67/94/43/463679443.db2.gz HNKTTZFHZYICNY-OAHLLOKOSA-N 1 0 342.399 2.315 20 5 EEBDRO CC[NH+](CC)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112072279 463689993 /nfs/dbraw/zinc/68/99/93/463689993.db2.gz ULZCWJJWJXZQQU-UHFFFAOYSA-N 1 0 345.403 2.313 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170712194 463698586 /nfs/dbraw/zinc/69/85/86/463698586.db2.gz HNIKWDRUFFWLPO-CJNGLKHVSA-N 1 0 332.404 2.092 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000282979803 463721702 /nfs/dbraw/zinc/72/17/02/463721702.db2.gz JDGCDJOTLWFMQM-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000276722305 463731782 /nfs/dbraw/zinc/73/17/82/463731782.db2.gz ZPACKLMCFZVDCP-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000287092053 463797183 /nfs/dbraw/zinc/79/71/83/463797183.db2.gz XEWXXGNPFYMTHA-AWEZNQCLSA-N 1 0 337.376 2.184 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000287199143 463832017 /nfs/dbraw/zinc/83/20/17/463832017.db2.gz TYCCBWMBVSRVFS-UHFFFAOYSA-N 1 0 341.371 2.338 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000178202458 463861055 /nfs/dbraw/zinc/86/10/55/463861055.db2.gz CVBDAFWKCQHBMI-IYBDPMFKSA-N 1 0 347.463 2.293 20 5 EEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194431115 463861290 /nfs/dbraw/zinc/86/12/90/463861290.db2.gz SFHAMUGHHBIZOP-UHFFFAOYSA-N 1 0 349.840 2.114 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261797938 463864427 /nfs/dbraw/zinc/86/44/27/463864427.db2.gz LMZRXRPGFCRCHC-GHMZBOCLSA-N 1 0 341.795 2.213 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659646 463937584 /nfs/dbraw/zinc/93/75/84/463937584.db2.gz BMQIYVAJOJTZFY-IUODEOHRSA-N 1 0 343.387 2.175 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000171925426 463950738 /nfs/dbraw/zinc/95/07/38/463950738.db2.gz LIRMNPKHIKEHQK-JTQLQIEISA-N 1 0 333.310 2.116 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])CC1 ZINC000178783892 463972818 /nfs/dbraw/zinc/97/28/18/463972818.db2.gz MMTBIWIXQGFRBH-OAHLLOKOSA-N 1 0 346.431 2.313 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000287772166 463995087 /nfs/dbraw/zinc/99/50/87/463995087.db2.gz IAGWAHGMIXCDOB-MNOVXSKESA-N 1 0 334.376 2.122 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000579670408 468390422 /nfs/dbraw/zinc/39/04/22/468390422.db2.gz NZXPXGPALYPMOG-LBPRGKRZSA-N 1 0 344.371 2.246 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCOC[C@H]1C ZINC000591019870 468393766 /nfs/dbraw/zinc/39/37/66/468393766.db2.gz KTOXMEXIFVCZHQ-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263715127 464164365 /nfs/dbraw/zinc/16/43/65/464164365.db2.gz VQMMADXNKJCFMO-UPJWGTAASA-N 1 0 335.404 2.481 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042636 464167963 /nfs/dbraw/zinc/16/79/63/464167963.db2.gz SIUOQBSNLTWIEB-YXAMBPQSSA-N 1 0 345.399 2.469 20 5 EEBDRO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292278305 464183189 /nfs/dbraw/zinc/18/31/89/464183189.db2.gz MAUSNMYINJPTEH-LBPRGKRZSA-N 1 0 332.404 2.004 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236660958 464216880 /nfs/dbraw/zinc/21/68/80/464216880.db2.gz WGZBOHWPTNFVJG-AWEZNQCLSA-N 1 0 334.420 2.298 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000173470711 464267026 /nfs/dbraw/zinc/26/70/26/464267026.db2.gz ACIKNCVFPJXTEW-RDJZCZTQSA-N 1 0 342.399 2.080 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237185372 464279585 /nfs/dbraw/zinc/27/95/85/464279585.db2.gz IEGAKBPAVQUQPB-NWDGAFQWSA-N 1 0 349.387 2.346 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237364435 464310001 /nfs/dbraw/zinc/31/00/01/464310001.db2.gz QUDGXEJMDFVTSH-HIFRSBDPSA-N 1 0 346.431 2.394 20 5 EEBDRO C[NH+](C)CC1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000281063717 464318688 /nfs/dbraw/zinc/31/86/88/464318688.db2.gz LTWLXOKLXVYEJE-UHFFFAOYSA-N 1 0 330.388 2.150 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000188732979 464354731 /nfs/dbraw/zinc/35/47/31/464354731.db2.gz FJRQJSAHZPLXEF-UHFFFAOYSA-N 1 0 340.383 2.316 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264663707 464414395 /nfs/dbraw/zinc/41/43/95/464414395.db2.gz ZCSRHHRXNYOGPE-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CCc2ccccc21 ZINC000238131854 464434824 /nfs/dbraw/zinc/43/48/24/464434824.db2.gz BGMXRJCCEHFGCH-QGZVFWFLSA-N 1 0 340.383 2.010 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386594 464435905 /nfs/dbraw/zinc/43/59/05/464435905.db2.gz MYRIBOOSUOLBLQ-QWHCGFSZSA-N 1 0 333.388 2.023 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237464 464461608 /nfs/dbraw/zinc/46/16/08/464461608.db2.gz KJSDXJWBLNGZJW-DOMZBBRYSA-N 1 0 344.415 2.266 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000175277496 464517767 /nfs/dbraw/zinc/51/77/67/464517767.db2.gz ONBJTDHRMUWZNI-CQSZACIVSA-N 1 0 338.404 2.478 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272349335 464573635 /nfs/dbraw/zinc/57/36/35/464573635.db2.gz OIKZFQUQHBEROV-GFCCVEGCSA-N 1 0 341.358 2.487 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272364122 464578636 /nfs/dbraw/zinc/57/86/36/464578636.db2.gz ZPLQMKVCCPQJBH-WDEREUQCSA-N 1 0 341.795 2.213 20 5 EEBDRO C[C@H](CCCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294849901 464624755 /nfs/dbraw/zinc/62/47/55/464624755.db2.gz RYAPUEVTVYAUET-CZUORRHYSA-N 1 0 332.404 2.416 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272526796 464646215 /nfs/dbraw/zinc/64/62/15/464646215.db2.gz LYHJDGDNXIPWJF-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000247139373 464653320 /nfs/dbraw/zinc/65/33/20/464653320.db2.gz WDPIDLANVWJHOC-JSGCOSHPSA-N 1 0 348.403 2.087 20 5 EEBDRO CCn1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000295285357 464774200 /nfs/dbraw/zinc/77/42/00/464774200.db2.gz BQVVBUPBWFCHCH-NWDGAFQWSA-N 1 0 331.376 2.489 20 5 EEBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266759874 464813421 /nfs/dbraw/zinc/81/34/21/464813421.db2.gz SUODIWZHZOOYSS-HUUCEWRRSA-N 1 0 340.420 2.390 20 5 EEBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295433687 464831650 /nfs/dbraw/zinc/83/16/50/464831650.db2.gz VAYNNCYPFTYXSO-CQSZACIVSA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000249596083 464897295 /nfs/dbraw/zinc/89/72/95/464897295.db2.gz WXACAORZSFWIKQ-IUODEOHRSA-N 1 0 331.372 2.495 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286398958 464905094 /nfs/dbraw/zinc/90/50/94/464905094.db2.gz HIOXWGGGUYECEG-KWCYVHTRSA-N 1 0 348.321 2.121 20 5 EEBDRO CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000249751586 464912507 /nfs/dbraw/zinc/91/25/07/464912507.db2.gz CZHVNVMMAKORJK-WFASDCNBSA-N 1 0 331.372 2.349 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1C1CC1 ZINC000268037390 464948488 /nfs/dbraw/zinc/94/84/88/464948488.db2.gz WYOYJUWGLZOYAC-JQWIXIFHSA-N 1 0 328.372 2.431 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238807 464987106 /nfs/dbraw/zinc/98/71/06/464987106.db2.gz OKPOBBSVYUZVHD-IINYFYTJSA-N 1 0 328.372 2.289 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000347930990 465316667 /nfs/dbraw/zinc/31/66/67/465316667.db2.gz KSEKHZPJARENHO-CQSZACIVSA-N 1 0 334.420 2.386 20 5 EEBDRO CCn1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000295884423 464995622 /nfs/dbraw/zinc/99/56/22/464995622.db2.gz CIQUHBYDXDDJGG-LLVKDONJSA-N 1 0 347.375 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000286771640 465023886 /nfs/dbraw/zinc/02/38/86/465023886.db2.gz GQTLCBPYZMEROP-UHFFFAOYSA-N 1 0 331.372 2.253 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593910762 468430375 /nfs/dbraw/zinc/43/03/75/468430375.db2.gz BZJNLFYTTRBBLR-ZOBUZTSGSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc([N+](=O)[O-])c1 ZINC000593912429 468430747 /nfs/dbraw/zinc/43/07/47/468430747.db2.gz NNZZGXDNQLFLNM-YSVLISHTSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CC[C@H](C3CCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000591240527 468431859 /nfs/dbraw/zinc/43/18/59/468431859.db2.gz URZZBRIKZMVQFD-BBRMVZONSA-N 1 0 343.383 2.349 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000359548821 465448415 /nfs/dbraw/zinc/44/84/15/465448415.db2.gz SMKNSPPXKAVRSJ-CQSZACIVSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000359551104 465449221 /nfs/dbraw/zinc/44/92/21/465449221.db2.gz ZFNVNQRMJFFENQ-CMPLNLGQSA-N 1 0 348.359 2.148 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298858865 465526076 /nfs/dbraw/zinc/52/60/76/465526076.db2.gz PPFCLWRFUKJWGI-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344640609 465742833 /nfs/dbraw/zinc/74/28/33/465742833.db2.gz ISLJUODNYPLQIQ-HNNXBMFYSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000299604296 465822943 /nfs/dbraw/zinc/82/29/43/465822943.db2.gz IARAYUCLCNBYKH-KRWDZBQOSA-N 1 0 325.368 2.486 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357289532 465916342 /nfs/dbraw/zinc/91/63/42/465916342.db2.gz BSXCREWEFWYGLE-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CN(C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118024 465979860 /nfs/dbraw/zinc/97/98/60/465979860.db2.gz AYQSMNDCVAMPGY-CZUORRHYSA-N 1 0 343.387 2.083 20 5 EEBDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357401325 466006456 /nfs/dbraw/zinc/00/64/56/466006456.db2.gz JUMVIEJAHPZGOO-SNVBAGLBSA-N 1 0 331.376 2.234 20 5 EEBDRO Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591429682 468467011 /nfs/dbraw/zinc/46/70/11/468467011.db2.gz ICIKLIYVMDPNHN-AWEZNQCLSA-N 1 0 327.388 2.336 20 5 EEBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccon1 ZINC000349239137 466032280 /nfs/dbraw/zinc/03/22/80/466032280.db2.gz KWPIRCYAXWFVMC-JTQLQIEISA-N 1 0 332.316 2.232 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000349284241 466050108 /nfs/dbraw/zinc/05/01/08/466050108.db2.gz OQCDJTFKJDZDTJ-GFCCVEGCSA-N 1 0 341.433 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000331365978 466051078 /nfs/dbraw/zinc/05/10/78/466051078.db2.gz CUHIDVMRRLFSCM-RCCFBDPRSA-N 1 0 334.416 2.389 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000591442930 468470645 /nfs/dbraw/zinc/47/06/45/468470645.db2.gz QTWMVVHEBZKAAN-NSHDSACASA-N 1 0 333.417 2.425 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000302114946 466100737 /nfs/dbraw/zinc/10/07/37/466100737.db2.gz RBHSXTLILSLIMY-UHFFFAOYSA-N 1 0 331.351 2.236 20 5 EEBDRO O=C(CCN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000331523996 466122110 /nfs/dbraw/zinc/12/21/10/466122110.db2.gz CUHBLQXRLBLJMP-KRWDZBQOSA-N 1 0 346.431 2.484 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363123918 466233491 /nfs/dbraw/zinc/23/34/91/466233491.db2.gz LDCHEKRUQKQWCY-CQSZACIVSA-N 1 0 333.388 2.060 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000304337445 466284479 /nfs/dbraw/zinc/28/44/79/466284479.db2.gz XHKNKNPGQGYICI-WMZOPIPTSA-N 1 0 344.415 2.422 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000331922212 466307057 /nfs/dbraw/zinc/30/70/57/466307057.db2.gz JSXSXXJUKUODJR-OAHLLOKOSA-N 1 0 349.456 2.429 20 5 EEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054211 466365146 /nfs/dbraw/zinc/36/51/46/466365146.db2.gz VDWQUEVSBLSTPE-WMLDXEAASA-N 1 0 346.431 2.482 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000305189208 466371277 /nfs/dbraw/zinc/37/12/77/466371277.db2.gz QQUVBKFJDVIRJJ-CYBMUJFWSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332072178 466371796 /nfs/dbraw/zinc/37/17/96/466371796.db2.gz VFNVHOXIKJDFOH-LLVKDONJSA-N 1 0 345.403 2.273 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332184947 466433479 /nfs/dbraw/zinc/43/34/79/466433479.db2.gz NZJPQZUCHSNIPN-HUUCEWRRSA-N 1 0 346.431 2.482 20 5 EEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362030351 466498934 /nfs/dbraw/zinc/49/89/34/466498934.db2.gz WFQOHCKBGLDOJG-DOMZBBRYSA-N 1 0 328.340 2.026 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332336409 466513745 /nfs/dbraw/zinc/51/37/45/466513745.db2.gz MEQGTUUUIVHLBS-GHMZBOCLSA-N 1 0 344.371 2.061 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358187729 466523481 /nfs/dbraw/zinc/52/34/81/466523481.db2.gz ZWSUTXSGHGZIQD-LRDDRELGSA-N 1 0 333.388 2.025 20 5 EEBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000313333825 466539700 /nfs/dbraw/zinc/53/97/00/466539700.db2.gz AMYSOYDQOBZHNA-QGZVFWFLSA-N 1 0 340.383 2.180 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320705237 466612618 /nfs/dbraw/zinc/61/26/18/466612618.db2.gz YVQPLWGKBSVURY-ZDUSSCGKSA-N 1 0 331.294 2.095 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ncccc12 ZINC000368531931 466661308 /nfs/dbraw/zinc/66/13/08/466661308.db2.gz ANGNBERZNRYXRH-DOTOQJQBSA-N 1 0 342.399 2.178 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348738 466725011 /nfs/dbraw/zinc/72/50/11/466725011.db2.gz UPAILUASNYGAGL-FUHWJXTLSA-N 1 0 343.431 2.397 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192133 466740583 /nfs/dbraw/zinc/74/05/83/466740583.db2.gz VIJOSQPDDXFBDB-DRZCJDIDSA-N 1 0 349.387 2.088 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411214510 466784275 /nfs/dbraw/zinc/78/42/75/466784275.db2.gz FXKJOSGTZHEVPZ-GFCCVEGCSA-N 1 0 349.387 2.197 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423695917 466806068 /nfs/dbraw/zinc/80/60/68/466806068.db2.gz CCMYMQXCTQJKFR-CQSZACIVSA-N 1 0 347.415 2.039 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411475069 466832242 /nfs/dbraw/zinc/83/22/42/466832242.db2.gz RXWSKFIJCWRFNK-QSPRXWTASA-N 1 0 329.400 2.441 20 5 EEBDRO C[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000411508716 466837694 /nfs/dbraw/zinc/83/76/94/466837694.db2.gz BLJQPLRJRNJHNI-IRXDYDNUSA-N 1 0 333.388 2.471 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]12CCOC2 ZINC000411767686 466897838 /nfs/dbraw/zinc/89/78/38/466897838.db2.gz OGWQSIXRNYRKPI-KRWDZBQOSA-N 1 0 349.387 2.187 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718193 466916324 /nfs/dbraw/zinc/91/63/24/466916324.db2.gz NXNQKFYBPZBTSV-HIFRSBDPSA-N 1 0 334.420 2.296 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417731092 466919521 /nfs/dbraw/zinc/91/95/21/466919521.db2.gz RHIXOVWNQSLUBG-CABCVRRESA-N 1 0 334.420 2.344 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C2CC2)cc1 ZINC000376856474 466945738 /nfs/dbraw/zinc/94/57/38/466945738.db2.gz OMRFNAJDFQKBOW-HDICACEKSA-N 1 0 331.416 2.422 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000424033696 466958931 /nfs/dbraw/zinc/95/89/31/466958931.db2.gz LVGAMOMSPUUWLH-KRWDZBQOSA-N 1 0 347.415 2.210 20 5 EEBDRO CCOc1cc(C[NH2+]C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000411997198 466963490 /nfs/dbraw/zinc/96/34/90/466963490.db2.gz GUJOIWVLCIMXIX-UHFFFAOYSA-N 1 0 337.420 2.194 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424059259 466967214 /nfs/dbraw/zinc/96/72/14/466967214.db2.gz VMMSPXWBASSMPW-OBJOEFQTSA-N 1 0 335.404 2.439 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412245894 467047978 /nfs/dbraw/zinc/04/79/78/467047978.db2.gz IWFODYRCNZONRI-DLBZAZTESA-N 1 0 329.400 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377583135 467091552 /nfs/dbraw/zinc/09/15/52/467091552.db2.gz PKBFYWFHTVXSSH-QMMMGPOBSA-N 1 0 348.384 2.128 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000425510360 467103045 /nfs/dbraw/zinc/10/30/45/467103045.db2.gz VFAXFHQOGDCKBU-UHFFFAOYSA-N 1 0 347.419 2.014 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418624912 467137354 /nfs/dbraw/zinc/13/73/54/467137354.db2.gz PQBRKBWVUQVOLK-MRXNPFEDSA-N 1 0 334.420 2.296 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000427930521 467186700 /nfs/dbraw/zinc/18/67/00/467186700.db2.gz JUKXRHVXYXFKEV-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413317715 467215665 /nfs/dbraw/zinc/21/56/65/467215665.db2.gz ZABKDCUICINKOX-UKRRQHHQSA-N 1 0 342.399 2.442 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000378271875 467248352 /nfs/dbraw/zinc/24/83/52/467248352.db2.gz JLZLRDUXUDWZSD-HNNXBMFYSA-N 1 0 342.399 2.315 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCCO2)nc1-c1ccc(F)cc1 ZINC000420283467 467338391 /nfs/dbraw/zinc/33/83/91/467338391.db2.gz XJCMMZPTWZYVNF-CQSZACIVSA-N 1 0 346.362 2.586 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420375315 467384327 /nfs/dbraw/zinc/38/43/27/467384327.db2.gz IVTYSHDQQXAUEN-GHMZBOCLSA-N 1 0 340.811 2.103 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376281 467384575 /nfs/dbraw/zinc/38/45/75/467384575.db2.gz UXWUKNGVYVEQCK-FTGAXOIBSA-N 1 0 340.811 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000420436083 467407865 /nfs/dbraw/zinc/40/78/65/467407865.db2.gz AKNFKBMCBCMIEE-SNVBAGLBSA-N 1 0 347.824 2.059 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430195661 467407988 /nfs/dbraw/zinc/40/79/88/467407988.db2.gz OWOXXCQMDUJWSC-NVXWUHKLSA-N 1 0 338.404 2.259 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000420440782 467408333 /nfs/dbraw/zinc/40/83/33/467408333.db2.gz HORNSCRQUYYAAM-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000392685660 467428338 /nfs/dbraw/zinc/42/83/38/467428338.db2.gz QIRXSGXNUJRVRD-MRXNPFEDSA-N 1 0 325.368 2.440 20 5 EEBDRO COc1cc(CN[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414868896 467442636 /nfs/dbraw/zinc/44/26/36/467442636.db2.gz QEHXBHHEWDJCRG-NSHDSACASA-N 1 0 345.346 2.089 20 5 EEBDRO COc1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1O ZINC000449503505 467653323 /nfs/dbraw/zinc/65/33/23/467653323.db2.gz IEKOEFSHRKFBTF-GUYCJALGSA-N 1 0 336.388 2.196 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449649725 467676596 /nfs/dbraw/zinc/67/65/96/467676596.db2.gz SNQIDURYEUYOHY-CHWSQXEVSA-N 1 0 343.387 2.028 20 5 EEBDRO CC(C)N1CC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000457733170 467691396 /nfs/dbraw/zinc/69/13/96/467691396.db2.gz ZONQHQRMASEXJA-UHFFFAOYSA-N 1 0 331.294 2.436 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000458174655 467782830 /nfs/dbraw/zinc/78/28/30/467782830.db2.gz CGVAUQJNOVTARP-CYBMUJFWSA-N 1 0 344.415 2.467 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000458645790 467873218 /nfs/dbraw/zinc/87/32/18/467873218.db2.gz XYQAICFAHQUZAD-UHFFFAOYSA-N 1 0 342.827 2.430 20 5 EEBDRO C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642131 467944976 /nfs/dbraw/zinc/94/49/76/467944976.db2.gz MPEKJWJCYIYEGM-CABCVRRESA-N 1 0 349.431 2.315 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000493819399 467990559 /nfs/dbraw/zinc/99/05/59/467990559.db2.gz JRDJWYYWUMITGN-NJELEJDNSA-N 1 0 333.363 2.349 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493945232 468008728 /nfs/dbraw/zinc/00/87/28/468008728.db2.gz PEGSFVNTUHNFGJ-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000517129426 468072126 /nfs/dbraw/zinc/07/21/26/468072126.db2.gz LLQMYEDOEBCKKT-XYJFISCASA-N 1 0 344.415 2.468 20 5 EEBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589210476 468133669 /nfs/dbraw/zinc/13/36/69/468133669.db2.gz GUYABEVYGFWVDJ-KRWDZBQOSA-N 1 0 336.388 2.351 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496290944 468145018 /nfs/dbraw/zinc/14/50/18/468145018.db2.gz FBJASPZSJCQTRP-ZDUSSCGKSA-N 1 0 349.387 2.268 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000533505099 468207536 /nfs/dbraw/zinc/20/75/36/468207536.db2.gz LXHGTPYNCWFVGW-QGZVFWFLSA-N 1 0 347.415 2.497 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000590402697 468247269 /nfs/dbraw/zinc/24/72/69/468247269.db2.gz GRDBAIGNTQZJQB-HIFRSBDPSA-N 1 0 346.431 2.360 20 5 EEBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000556085635 468507286 /nfs/dbraw/zinc/50/72/86/468507286.db2.gz WPVZVBFHHPJAEM-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591757717 468515250 /nfs/dbraw/zinc/51/52/50/468515250.db2.gz FKHHITZIPSWOQW-ISTRZQFTSA-N 1 0 330.388 2.065 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000600315584 468530153 /nfs/dbraw/zinc/53/01/53/468530153.db2.gz VKXOCKZALAWHGH-CYBMUJFWSA-N 1 0 335.404 2.374 20 5 EEBDRO [NH3+]C[C@@H](Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000592158480 468642382 /nfs/dbraw/zinc/64/23/82/468642382.db2.gz DVLJJMTYQUWHQE-VIFPVBQESA-N 1 0 343.156 2.435 20 5 EEBDRO [NH3+]C[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000592158479 468642537 /nfs/dbraw/zinc/64/25/37/468642537.db2.gz DVLJJMTYQUWHQE-SECBINFHSA-N 1 0 343.156 2.435 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570676447 468675652 /nfs/dbraw/zinc/67/56/52/468675652.db2.gz PWNXXEBDHSSXAL-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332322 468678775 /nfs/dbraw/zinc/67/87/75/468678775.db2.gz WNPQQAPSSNRWLB-HIFRSBDPSA-N 1 0 346.431 2.394 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859360 468696059 /nfs/dbraw/zinc/69/60/59/468696059.db2.gz CREWVCVXPZXXFW-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NCC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000595262086 468796446 /nfs/dbraw/zinc/79/64/46/468796446.db2.gz JUJAKIVIAYZMGX-UHFFFAOYSA-N 1 0 349.435 2.276 20 5 EEBDRO CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592832197 468798639 /nfs/dbraw/zinc/79/86/39/468798639.db2.gz SVISPKCUWJXCLP-CQSZACIVSA-N 1 0 335.404 2.089 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000595287114 468800125 /nfs/dbraw/zinc/80/01/25/468800125.db2.gz LKJSVCRJMQJUQC-IYBDPMFKSA-N 1 0 347.463 2.090 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598266465 468811732 /nfs/dbraw/zinc/81/17/32/468811732.db2.gz YCPUHQMSYAAKSW-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595484359 468872376 /nfs/dbraw/zinc/87/23/76/468872376.db2.gz ZOEMHMJLBGVPHY-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO COC(=O)c1ccnc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000598602709 468929257 /nfs/dbraw/zinc/92/92/57/468929257.db2.gz AQHGHVPJJGDKNV-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO CSCC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N(C)C ZINC000572541952 468948361 /nfs/dbraw/zinc/94/83/61/468948361.db2.gz OPFPGTHFECPAON-KGLIPLIRSA-N 1 0 337.445 2.382 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC3CCC3)CC2)cn1 ZINC000602617959 468969152 /nfs/dbraw/zinc/96/91/52/468969152.db2.gz QKCJGDLCFSCVAG-UHFFFAOYSA-N 1 0 334.420 2.365 20 5 EEBDRO CCN1C[C@@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000593498604 469005551 /nfs/dbraw/zinc/00/55/51/469005551.db2.gz FPTUPTILMQNFEK-GFCCVEGCSA-N 1 0 328.372 2.154 20 5 EEBDRO CO[C@H]([C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602681191 469008612 /nfs/dbraw/zinc/00/86/12/469008612.db2.gz MPXOBYANIWMVAL-YVEFUNNKSA-N 1 0 334.420 2.362 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791919 469012478 /nfs/dbraw/zinc/01/24/78/469012478.db2.gz YCZQMWSRFJDYJQ-WBVHZDCISA-N 1 0 347.415 2.475 20 5 EEBDRO COC[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000610615778 469018021 /nfs/dbraw/zinc/01/80/21/469018021.db2.gz UMJQASLZZHXDJR-ZDUSSCGKSA-N 1 0 335.360 2.004 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000585718800 469021199 /nfs/dbraw/zinc/02/11/99/469021199.db2.gz YXGOOIZBVYELEO-QGZVFWFLSA-N 1 0 333.432 2.324 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915155 469048107 /nfs/dbraw/zinc/04/81/07/469048107.db2.gz IXGNUWSHAYYTMD-QPUJVOFHSA-N 1 0 342.783 2.483 20 5 EEBDRO CC[C@H]([NH2+]C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595922429 469085649 /nfs/dbraw/zinc/08/56/49/469085649.db2.gz QQVGOQKVBKLHJJ-JTQLQIEISA-N 1 0 348.325 2.140 20 5 EEBDRO C[NH+](C)CC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587309663 469087308 /nfs/dbraw/zinc/08/73/08/469087308.db2.gz ILPSARKSPKMNJQ-UHFFFAOYSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000593691012 469097220 /nfs/dbraw/zinc/09/72/20/469097220.db2.gz IBLJJKBLTQDQKP-HNNXBMFYSA-N 1 0 346.330 2.217 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593728942 469111157 /nfs/dbraw/zinc/11/11/57/469111157.db2.gz AZEMOZKQRIZFMN-CZUORRHYSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(F)c2F)c1 ZINC000601969675 469118694 /nfs/dbraw/zinc/11/86/94/469118694.db2.gz RVVSIGULAGOKQN-CYBMUJFWSA-N 1 0 338.310 2.403 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611009099 469138154 /nfs/dbraw/zinc/13/81/54/469138154.db2.gz SQCISWQEONDJNV-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO CC[NH+]1CCN(CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000596073538 469141410 /nfs/dbraw/zinc/14/14/10/469141410.db2.gz MLNUAMLKQGNDNX-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086386 469147731 /nfs/dbraw/zinc/14/77/31/469147731.db2.gz YKVJWFLVINDPEX-UPJWGTAASA-N 1 0 334.420 2.472 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000611087481 469156216 /nfs/dbraw/zinc/15/62/16/469156216.db2.gz JWJVIBOYVDNSCX-CYBMUJFWSA-N 1 0 330.388 2.102 20 5 EEBDRO Cc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCCC2)o1 ZINC000596110525 469158977 /nfs/dbraw/zinc/15/89/77/469158977.db2.gz SBMRGTYTZQQDFF-ZDUSSCGKSA-N 1 0 331.376 2.722 20 5 EEBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000611209025 469192730 /nfs/dbraw/zinc/19/27/30/469192730.db2.gz CCEPBGLOQRCAQM-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCCC1)OCCO2 ZINC000611265596 469212776 /nfs/dbraw/zinc/21/27/76/469212776.db2.gz ZJZQINCQCNYZLN-OAHLLOKOSA-N 1 0 347.415 2.426 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]([NH+]3CCCCC3)C1)OCCO2 ZINC000611268565 469214428 /nfs/dbraw/zinc/21/44/28/469214428.db2.gz PLIRVLIIKDYKSC-HNNXBMFYSA-N 1 0 347.415 2.426 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1F ZINC000563350601 469234271 /nfs/dbraw/zinc/23/42/71/469234271.db2.gz PIHFDGBHJRDEIT-LLVKDONJSA-N 1 0 334.351 2.466 20 5 EEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083362 469255436 /nfs/dbraw/zinc/25/54/36/469255436.db2.gz LIZOMYFMMFFFQF-UHFFFAOYSA-N 1 0 344.346 2.481 20 5 EEBDRO Cc1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000574822445 469280804 /nfs/dbraw/zinc/28/08/04/469280804.db2.gz HKBADZGBHYBHNJ-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO NC(=O)c1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596563766 469301914 /nfs/dbraw/zinc/30/19/14/469301914.db2.gz VJYBBKFFXLZJHT-UHFFFAOYSA-N 1 0 332.404 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000611711812 469307352 /nfs/dbraw/zinc/30/73/52/469307352.db2.gz RHUQQVKODZQWMO-CQSZACIVSA-N 1 0 343.387 2.203 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602515494 469345390 /nfs/dbraw/zinc/34/53/90/469345390.db2.gz WTYLNODFUXQOHD-JGVFFNPUSA-N 1 0 330.182 2.213 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)cn1 ZINC000602568758 469364744 /nfs/dbraw/zinc/36/47/44/469364744.db2.gz LWPVKNFURWPPBN-HDJSIYSDSA-N 1 0 334.420 2.099 20 5 EEBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508356 469485152 /nfs/dbraw/zinc/48/51/52/469485152.db2.gz FBCLDYHOZXHCQF-ZIAGYGMSSA-N 1 0 325.372 2.016 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000604532749 469487616 /nfs/dbraw/zinc/48/76/16/469487616.db2.gz BSLQCBFLPWJQES-KGLIPLIRSA-N 1 0 333.388 2.082 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000604532748 469487892 /nfs/dbraw/zinc/48/78/92/469487892.db2.gz BSLQCBFLPWJQES-KBPBESRZSA-N 1 0 333.388 2.082 20 5 EEBDRO CCn1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000616786360 469501870 /nfs/dbraw/zinc/50/18/70/469501870.db2.gz VVFPWVQREZRFTP-MRXNPFEDSA-N 1 0 333.388 2.288 20 5 EEBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000619844746 469689017 /nfs/dbraw/zinc/68/90/17/469689017.db2.gz IPPQGGUSNLQHAK-GFCCVEGCSA-N 1 0 343.449 2.145 20 5 EEBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583450 469943318 /nfs/dbraw/zinc/94/33/18/469943318.db2.gz JDOYARUASRIWSR-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000610112126 469981693 /nfs/dbraw/zinc/98/16/93/469981693.db2.gz YCUBEFKNOWHTNT-UHFFFAOYSA-N 1 0 332.404 2.350 20 5 EEBDRO CCN(CC[NH3+])C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000602540501 485643031 /nfs/dbraw/zinc/64/30/31/485643031.db2.gz NPZAEDLXOWBYCL-ZIAGYGMSSA-N 1 0 348.447 2.498 20 5 EEBDRO C[C@H](CCC1CC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186290235 533826229 /nfs/dbraw/zinc/82/62/29/533826229.db2.gz AFUPGZNMHNBRNT-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000414342332 528594704 /nfs/dbraw/zinc/59/47/04/528594704.db2.gz PDQYQOZIIAEJLQ-GFCCVEGCSA-N 1 0 344.433 2.469 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000246850364 535519517 /nfs/dbraw/zinc/51/95/17/535519517.db2.gz QSHPPIPCZWUUKL-QWHCGFSZSA-N 1 0 339.392 2.055 20 5 EEBDRO CN(C(=O)C[N@H+](C)CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120594378 536326263 /nfs/dbraw/zinc/32/62/63/536326263.db2.gz SGBMWKABRQXINK-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266284138 536367306 /nfs/dbraw/zinc/36/73/06/536367306.db2.gz BDHJVXBGTJYCHC-MRXNPFEDSA-N 1 0 333.388 2.059 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727113376 576406708 /nfs/dbraw/zinc/40/67/08/576406708.db2.gz IFUVWGAQZNCSII-OAHLLOKOSA-N 1 0 344.415 2.162 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000731809289 577125809 /nfs/dbraw/zinc/12/58/09/577125809.db2.gz SSSMYIYRIQUUJI-OLZOCXBDSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803154 577231125 /nfs/dbraw/zinc/23/11/25/577231125.db2.gz OJTNVLMGMFHDIU-TVQRCGJNSA-N 1 0 341.795 2.326 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582203 577463267 /nfs/dbraw/zinc/46/32/67/577463267.db2.gz MDCGIDFCQOIQPZ-IRXDYDNUSA-N 1 0 347.415 2.105 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1C ZINC000765637137 577504297 /nfs/dbraw/zinc/50/42/97/577504297.db2.gz SWAOJSDTNQMZFL-RYUDHWBXSA-N 1 0 332.404 2.398 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C ZINC000766557173 577521608 /nfs/dbraw/zinc/52/16/08/577521608.db2.gz SZLBFHAQHNSPHZ-CHWSQXEVSA-N 1 0 334.420 2.216 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000758184492 577617869 /nfs/dbraw/zinc/61/78/69/577617869.db2.gz DLSPKWGKSVDQPY-MSOLQXFVSA-N 1 0 330.384 2.212 20 5 EEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168233 577821065 /nfs/dbraw/zinc/82/10/65/577821065.db2.gz GCGCFHOHOOQKPY-YMTOWFKASA-N 1 0 327.768 2.344 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000746528415 577929508 /nfs/dbraw/zinc/92/95/08/577929508.db2.gz QWSOSHORNBCWFX-UHFFFAOYSA-N 1 0 328.372 2.385 20 5 EEBDRO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000740859050 578108244 /nfs/dbraw/zinc/10/82/44/578108244.db2.gz IRCQPUKFRKRWMR-BWACUDIHSA-N 1 0 346.387 2.050 20 5 EEBDRO CCOC[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000177633930 675988522 /nfs/dbraw/zinc/98/85/22/675988522.db2.gz MFFAUSTXKWBZSL-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)(C(F)(F)F)CC1 ZINC000891209366 676174651 /nfs/dbraw/zinc/17/46/51/676174651.db2.gz NAKMJTUPPVINSK-UHFFFAOYSA-N 1 0 346.309 2.136 20 5 EEBDRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000891547737 676693495 /nfs/dbraw/zinc/69/34/95/676693495.db2.gz JOQWVRQAAYFBSJ-CYBMUJFWSA-N 1 0 334.420 2.482 20 5 EEBDRO CC/C=C/CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934040804 677766353 /nfs/dbraw/zinc/76/63/53/677766353.db2.gz QBDFRINJSJTBCE-SNAWJCMRSA-N 1 0 347.419 2.434 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000891974296 677827561 /nfs/dbraw/zinc/82/75/61/677827561.db2.gz HLTGCWSEFQEGCW-UHFFFAOYSA-N 1 0 348.428 2.425 20 5 EEBDRO Cc1nn(C[N@H+](C)CCCn2ccnc2)c2cc([N+](=O)[O-])ccc12 ZINC000121266894 677877586 /nfs/dbraw/zinc/87/75/86/677877586.db2.gz SGBKBWNZPNGFCK-UHFFFAOYSA-N 1 0 328.376 2.429 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001022575965 677920016 /nfs/dbraw/zinc/92/00/16/677920016.db2.gz AFIYUIGMHQOXQD-RRACKEQVSA-N 1 0 329.400 2.378 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1C ZINC000896837070 685356666 /nfs/dbraw/zinc/35/66/66/685356666.db2.gz BHEFPSGDKVYWPA-MRXNPFEDSA-N 1 0 337.445 2.379 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000894506849 682940312 /nfs/dbraw/zinc/94/03/12/682940312.db2.gz UYGFCNFBIZOMGR-SNVBAGLBSA-N 1 0 332.809 2.163 20 5 EEBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895245027 684368783 /nfs/dbraw/zinc/36/87/83/684368783.db2.gz CKDYKRYVCHNNFP-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC000984341749 684446900 /nfs/dbraw/zinc/44/69/00/684446900.db2.gz XGCHRCPOEIVKKQ-YEORSEQZSA-N 1 0 346.362 2.360 20 5 EEBDRO CC1(C)COCCN1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893343930 684791822 /nfs/dbraw/zinc/79/18/22/684791822.db2.gz RNRICTNZPZDOCK-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1C ZINC000236721276 687622647 /nfs/dbraw/zinc/62/26/47/687622647.db2.gz GUHWJORMMMJBIE-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237388531 691021197 /nfs/dbraw/zinc/02/11/97/691021197.db2.gz DRDJBHHDRZKKFL-WBMJQRKESA-N 1 0 343.387 2.122 20 5 EEBDRO CC[N@H+](CCC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000897709482 691753103 /nfs/dbraw/zinc/75/31/03/691753103.db2.gz FPXASTAXUCFZMP-UHFFFAOYSA-N 1 0 331.319 2.154 20 5 EEBDRO Cc1ocnc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990151662 692699396 /nfs/dbraw/zinc/69/93/96/692699396.db2.gz BZVDLNANEMPJEK-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(NC1CC1)N[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783674457 1186920375 /nfs/dbraw/zinc/92/03/75/1186920375.db2.gz PFGCMAGMTCRVPT-LBPRGKRZSA-N 1 0 338.795 2.284 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1sccc1F ZINC001126697636 1187301333 /nfs/dbraw/zinc/30/13/33/1187301333.db2.gz COZVUYWQWPIXEJ-UHFFFAOYSA-N 1 0 329.378 2.377 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001105460003 1187411638 /nfs/dbraw/zinc/41/16/38/1187411638.db2.gz PCTRIMYNQDDNNJ-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO Cn1nc(Br)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000785477242 1196213299 /nfs/dbraw/zinc/21/32/99/1196213299.db2.gz OCPBANBIXZVHJU-UHFFFAOYSA-N 1 0 339.193 2.423 20 5 EEBDRO O=C(NCc1ccc(C[NH2+]CC2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816036 1196763764 /nfs/dbraw/zinc/76/37/64/1196763764.db2.gz IZBVSYYOKIJIAX-IAGOWNOFSA-N 1 0 331.416 2.248 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000825785923 1199228173 /nfs/dbraw/zinc/22/81/73/1199228173.db2.gz YYXGRZVQVLQCDI-HNNXBMFYSA-N 1 0 345.399 2.151 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)ccn1 ZINC000875474601 1199264081 /nfs/dbraw/zinc/26/40/81/1199264081.db2.gz YXVJGKBFNHEVQG-UHFFFAOYSA-N 1 0 349.318 2.289 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000810849111 1199764308 /nfs/dbraw/zinc/76/43/08/1199764308.db2.gz ZWTVJUFKRLZKOZ-NWDGAFQWSA-N 1 0 348.355 2.150 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000877072549 1199858554 /nfs/dbraw/zinc/85/85/54/1199858554.db2.gz OJFOAYCRYFRSAO-ZDUSSCGKSA-N 1 0 344.293 2.170 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878335547 1200403773 /nfs/dbraw/zinc/40/37/73/1200403773.db2.gz OKEZPDBTSRENJS-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000123294890 1200850408 /nfs/dbraw/zinc/85/04/08/1200850408.db2.gz GBXVDEYCSCUOGJ-GHMZBOCLSA-N 1 0 347.824 2.105 20 5 EEBDRO CC(C)[NH+]1CCC(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870953444 1200974898 /nfs/dbraw/zinc/97/48/98/1200974898.db2.gz YWOOXQXHBNECOY-QGZVFWFLSA-N 1 0 349.431 2.255 20 5 EEBDRO CC[C@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000879313588 1200990460 /nfs/dbraw/zinc/99/04/60/1200990460.db2.gz MLSLCPMKEPVGOK-INIZCTEOSA-N 1 0 339.367 2.299 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000121148860 1201560566 /nfs/dbraw/zinc/56/05/66/1201560566.db2.gz VBNYXHGNMHTKPF-OKILXGFUSA-N 1 0 349.431 2.013 20 5 EEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1(C)C ZINC000882538840 1201891803 /nfs/dbraw/zinc/89/18/03/1201891803.db2.gz BFOOMFODWQKXSO-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140957 1202476782 /nfs/dbraw/zinc/47/67/82/1202476782.db2.gz SWOHRHJOQGRRGU-HOCLYGCPSA-N 1 0 336.436 2.216 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1 ZINC000886229697 1202482719 /nfs/dbraw/zinc/48/27/19/1202482719.db2.gz UTGRXRDZXCFJBR-AAEUAGOBSA-N 1 0 346.330 2.216 20 5 EEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000890067371 1204776242 /nfs/dbraw/zinc/77/62/42/1204776242.db2.gz NBQMTGJWLFOIRP-MRXNPFEDSA-N 1 0 332.404 2.363 20 5 EEBDRO CN(CCCNC(=O)CC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001095571602 1205878233 /nfs/dbraw/zinc/87/82/33/1205878233.db2.gz PIJLHDBGMLLPEG-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095599744 1205886640 /nfs/dbraw/zinc/88/66/40/1205886640.db2.gz MVHAYBDAFAXYPJ-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000927705443 1206293486 /nfs/dbraw/zinc/29/34/86/1206293486.db2.gz GZPCEBPZVQVZTE-UHFFFAOYSA-N 1 0 344.371 2.141 20 5 EEBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000778265267 1208021775 /nfs/dbraw/zinc/02/17/75/1208021775.db2.gz VSMAJTFMYDTCFR-NSHDSACASA-N 1 0 327.331 2.287 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779072408 1208491505 /nfs/dbraw/zinc/49/15/05/1208491505.db2.gz KSEMEJKANZRDRY-NSHDSACASA-N 1 0 345.346 2.041 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114786096 1215292526 /nfs/dbraw/zinc/29/25/26/1215292526.db2.gz CGZWBTRXQYHXIM-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001114813431 1215490508 /nfs/dbraw/zinc/49/05/08/1215490508.db2.gz BRLNJQOVKNZSIW-HDJSIYSDSA-N 1 0 334.420 2.162 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000420399235 1217529525 /nfs/dbraw/zinc/52/95/25/1217529525.db2.gz HRCFAAWWUMBMEI-SUMWQHHRSA-N 1 0 332.404 2.058 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(N)=O)cc1 ZINC000801601057 1235894852 /nfs/dbraw/zinc/89/48/52/1235894852.db2.gz AFCJZTUXCBVPSN-UHFFFAOYSA-N 1 0 343.383 2.133 20 5 EEBDRO CC[NH+]1CCC(NC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])CC1 ZINC000902259126 1237300816 /nfs/dbraw/zinc/30/08/16/1237300816.db2.gz NCMIKVOPJIQTIN-UHFFFAOYSA-N 1 0 330.388 2.150 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903128516 1239806538 /nfs/dbraw/zinc/80/65/38/1239806538.db2.gz ALMLKRZMAFJGKW-RFGFWPKPSA-N 1 0 336.392 2.206 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001097111447 1243716847 /nfs/dbraw/zinc/71/68/47/1243716847.db2.gz UGYCSNFOEJNJCC-HDJSIYSDSA-N 1 0 346.431 2.447 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001097206098 1243823687 /nfs/dbraw/zinc/82/36/87/1243823687.db2.gz SAGVCFGJBYZLIO-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815626764 1278154476 /nfs/dbraw/zinc/15/44/76/1278154476.db2.gz LPPWUVYMLYWXKI-MVQRFQBOSA-N 1 0 346.431 2.475 20 5 EEBDRO Cc1cc(S(=O)(=O)NCCCCCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000850588356 1277275039 /nfs/dbraw/zinc/27/50/39/1277275039.db2.gz CEZYBEQIEGWUDZ-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO Nc1ccc2n(C(=O)[C@@H]3C[C@@H](F)CC[NH2+]3)c3ccccc3cc-2c1=O ZINC001219254393 1297965667 /nfs/dbraw/zinc/96/56/67/1297965667.db2.gz ZJUNEJXTWDBBPF-WFASDCNBSA-N 1 0 339.370 2.419 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001225450007 1301001869 /nfs/dbraw/zinc/00/18/69/1301001869.db2.gz DKZZIKFOQVJFQI-DRXBFXEBSA-N 1 0 334.372 2.491 20 5 EEBDRO CC(C)OCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226414710 1301399939 /nfs/dbraw/zinc/39/99/39/1301399939.db2.gz YJSWWDBVHDNARY-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO CCOC(=O)c1cc(OC)c(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228135074 1302118614 /nfs/dbraw/zinc/11/86/14/1302118614.db2.gz XFYSCSJGGUWMGZ-GFCCVEGCSA-N 1 0 326.413 2.354 20 5 EEBDRO COC(=O)c1c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001229050055 1302590626 /nfs/dbraw/zinc/59/06/26/1302590626.db2.gz SIEPQBLOLYTFBU-ATCWAGBWSA-N 1 0 334.372 2.491 20 5 EEBDRO O=C1NC[C@@H]2CC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]12 ZINC001232223736 1304042778 /nfs/dbraw/zinc/04/27/78/1304042778.db2.gz VBKOVOOEDNMLAQ-RDJZCZTQSA-N 1 0 332.407 2.351 20 5 EEBDRO CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158200001 1319073908 /nfs/dbraw/zinc/07/39/08/1319073908.db2.gz IOKZPCKGXCROKB-MRVPVSSYSA-N 1 0 331.829 2.338 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC001122390990 1310275683 /nfs/dbraw/zinc/27/56/83/1310275683.db2.gz FDZMYOWHVFELKT-OAHLLOKOSA-N 1 0 334.420 2.435 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1F ZINC001246666713 1310375033 /nfs/dbraw/zinc/37/50/33/1310375033.db2.gz RPPCRKLRPMWNID-PSTGCABASA-N 1 0 337.395 2.487 20 5 EEBDRO O[C@@H]1C[NH2+]C[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247749971 1310710248 /nfs/dbraw/zinc/71/02/48/1310710248.db2.gz UOOMSQRZACXAPW-KBPBESRZSA-N 1 0 347.378 2.271 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247914728 1310781779 /nfs/dbraw/zinc/78/17/79/1310781779.db2.gz VQWTUCSYAJJDSN-MIMYLULJSA-N 1 0 333.323 2.282 20 5 EEBDRO Cc1cccnc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248213842 1310864311 /nfs/dbraw/zinc/86/43/11/1310864311.db2.gz INHHDBVMJKSZCU-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831674815 1314606050 /nfs/dbraw/zinc/60/60/50/1314606050.db2.gz PHLXYZJJPQIXNU-PMPSAXMXSA-N 1 0 336.388 2.340 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837172310 1315059602 /nfs/dbraw/zinc/05/96/02/1315059602.db2.gz GZMSARHTCLMTDN-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000840150895 1315309644 /nfs/dbraw/zinc/30/96/44/1315309644.db2.gz AXGUICPAEFOUKL-OAHLLOKOSA-N 1 0 344.419 2.225 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233478 1315510856 /nfs/dbraw/zinc/51/08/56/1315510856.db2.gz VMJSPZLNSWXMGS-PSASIEDQSA-N 1 0 342.783 2.483 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH2+]C(C)(C)C1 ZINC000842313067 1315686125 /nfs/dbraw/zinc/68/61/25/1315686125.db2.gz GSTFOQBHEYJELT-UHFFFAOYSA-N 1 0 327.768 2.223 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000842478557 1315713462 /nfs/dbraw/zinc/71/34/62/1315713462.db2.gz KUZXCIWKBYXMAY-MNOVXSKESA-N 1 0 340.811 2.103 20 5 EEBDRO O=C(CCc1cccs1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150577487 1316305052 /nfs/dbraw/zinc/30/50/52/1316305052.db2.gz PBLPJEITGTXPJK-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])o4)nc3c2)CC1 ZINC001250669363 1317287773 /nfs/dbraw/zinc/28/77/73/1317287773.db2.gz MEMOXAJPGJDGDM-UHFFFAOYSA-N 1 0 327.344 2.483 20 5 EEBDRO C[C@@H]1C[C@@H](CNc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC001155102194 1317457760 /nfs/dbraw/zinc/45/77/60/1317457760.db2.gz QLSUOSIJMJQTME-PHDIDXHHSA-N 1 0 339.705 2.467 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155662815 1317693736 /nfs/dbraw/zinc/69/37/36/1317693736.db2.gz NXCGQKZIDBBMEY-QMMMGPOBSA-N 1 0 329.813 2.266 20 5 EEBDRO N=C(NC(=O)c1ccnc2c1ccc1cccnc12)SCC[NH3+] ZINC001155817361 1317746058 /nfs/dbraw/zinc/74/60/58/1317746058.db2.gz HIFSJDKBUPVWCJ-UHFFFAOYSA-N 1 0 325.397 2.139 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)cnc2c1 ZINC001155824320 1317749864 /nfs/dbraw/zinc/74/98/64/1317749864.db2.gz OEPHVOBYXVKREU-DOTOQJQBSA-N 1 0 343.387 2.251 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)c3ccncc3)CC2)cc1 ZINC001254468174 1318081233 /nfs/dbraw/zinc/08/12/33/1318081233.db2.gz GJKBUOYZSZRXFX-GOSISDBHSA-N 1 0 342.399 2.282 20 5 EEBDRO CC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254466229 1318081422 /nfs/dbraw/zinc/08/14/22/1318081422.db2.gz ZHRPUFNEVKURQK-MRXNPFEDSA-N 1 0 346.431 2.164 20 5 EEBDRO C[NH+]1CCC2(CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)CC1 ZINC001156574684 1318083115 /nfs/dbraw/zinc/08/31/15/1318083115.db2.gz FEEWWGUXQOSMCB-UHFFFAOYSA-N 1 0 340.811 2.194 20 5 EEBDRO COCCOc1nccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254549811 1318119226 /nfs/dbraw/zinc/11/92/26/1318119226.db2.gz WUPCMJQKEMVVMR-CYBMUJFWSA-N 1 0 346.387 2.131 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC001254560904 1318122133 /nfs/dbraw/zinc/12/21/33/1318122133.db2.gz ZIUHBDSBXMAXFC-KRWDZBQOSA-N 1 0 346.475 2.239 20 5 EEBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578143 1318129449 /nfs/dbraw/zinc/12/94/49/1318129449.db2.gz JTRDKHSKBHJXGZ-MRXNPFEDSA-N 1 0 331.416 2.444 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254583933 1318132771 /nfs/dbraw/zinc/13/27/71/1318132771.db2.gz DZRQLCMTFICJHK-CVEARBPZSA-N 1 0 339.399 2.029 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254586636 1318135022 /nfs/dbraw/zinc/13/50/22/1318135022.db2.gz REZQDICJGSQAEV-HNNXBMFYSA-N 1 0 327.340 2.033 20 5 EEBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592466 1318136501 /nfs/dbraw/zinc/13/65/01/1318136501.db2.gz DOAMFGJCRXGHAR-GOSISDBHSA-N 1 0 343.427 2.396 20 5 EEBDRO COc1cc(N2CCC([NH2+]C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256082771 1318642366 /nfs/dbraw/zinc/64/23/66/1318642366.db2.gz JUVOAZZANYLHKL-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256102009 1318650279 /nfs/dbraw/zinc/65/02/79/1318650279.db2.gz UDZFQUMWOFMUQX-SFHVURJKSA-N 1 0 347.415 2.437 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351948217 1318740525 /nfs/dbraw/zinc/74/05/25/1318740525.db2.gz BYLMMDUQFSRHQL-SUMWQHHRSA-N 1 0 335.404 2.262 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(-n2nnc(-c3cccc(C[NH3+])c3)n2)nc1Cl ZINC001158043003 1318982586 /nfs/dbraw/zinc/98/25/86/1318982586.db2.gz UPXUCKLJTLFABR-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CCO[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC001158306917 1319162596 /nfs/dbraw/zinc/16/25/96/1319162596.db2.gz RKZUUESNIFOLIU-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC3(C2)CCC[NH2+]C3)nc1Cl ZINC001159019048 1319559632 /nfs/dbraw/zinc/55/96/32/1319559632.db2.gz AKPDBSCUENINRD-UHFFFAOYSA-N 1 0 332.738 2.378 20 5 EEBDRO Cc1ccc(-c2ccc(N[C@@H](C)[C@@H]3C[NH2+]CCO3)nn2)cc1[N+](=O)[O-] ZINC001159498360 1319837744 /nfs/dbraw/zinc/83/77/44/1319837744.db2.gz LBUFNZVWZFRDAA-LRDDRELGSA-N 1 0 343.387 2.149 20 5 EEBDRO CC1(C)C[NH2+]C[C@H](CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])O1 ZINC001161954565 1320693374 /nfs/dbraw/zinc/69/33/74/1320693374.db2.gz YTQOJIHTFIHWEC-SSDOTTSWSA-N 1 0 335.191 2.476 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001162097070 1320747958 /nfs/dbraw/zinc/74/79/58/1320747958.db2.gz FNRBLZBGFZKQKI-JTQLQIEISA-N 1 0 348.325 2.199 20 5 EEBDRO Cc1nc(-n2nccc2C[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001162598330 1320908515 /nfs/dbraw/zinc/90/85/15/1320908515.db2.gz UENIZFKHQGBQEN-UHFFFAOYSA-N 1 0 326.154 2.014 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163227352 1321071937 /nfs/dbraw/zinc/07/19/37/1321071937.db2.gz SMMOUBAPQFPZFQ-NSHDSACASA-N 1 0 348.384 2.403 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277795 1321085817 /nfs/dbraw/zinc/08/58/17/1321085817.db2.gz GRRSMAZVJRODHW-YGRLFVJLSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163285854 1321088317 /nfs/dbraw/zinc/08/83/17/1321088317.db2.gz WWUCLMKGLFYEKH-ZUZCIYMTSA-N 1 0 327.331 2.444 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163303693 1321091647 /nfs/dbraw/zinc/09/16/47/1321091647.db2.gz FAAPBNSKHWJTNO-PXAZEXFGSA-N 1 0 328.372 2.466 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163367005 1321106276 /nfs/dbraw/zinc/10/62/76/1321106276.db2.gz XNDSRKQNEWPLDY-WDEREUQCSA-N 1 0 328.800 2.412 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650602 1321181864 /nfs/dbraw/zinc/18/18/64/1321181864.db2.gz UEDLQSDYGPHLAX-XJKSGUPXSA-N 1 0 331.376 2.184 20 5 EEBDRO COCCC[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001165098069 1321454966 /nfs/dbraw/zinc/45/49/66/1321454966.db2.gz STOBBYMYOLGHNV-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001165669214 1321561886 /nfs/dbraw/zinc/56/18/86/1321561886.db2.gz INKCXWXDMNPUHE-ZDUSSCGKSA-N 1 0 349.435 2.209 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001318413033 1332527958 /nfs/dbraw/zinc/52/79/58/1332527958.db2.gz KFUCILODLCISCQ-TZMCWYRMSA-N 1 0 341.433 2.283 20 5 EEBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC001320863728 1332967987 /nfs/dbraw/zinc/96/79/87/1332967987.db2.gz PYHKMCBWLFOQQR-ZIAGYGMSSA-N 1 0 346.391 2.177 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322194423 1333225299 /nfs/dbraw/zinc/22/52/99/1333225299.db2.gz LNKWGXRGGXFYSG-LSDHHAIUSA-N 1 0 330.388 2.247 20 5 EEBDRO C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001325226262 1333850194 /nfs/dbraw/zinc/85/01/94/1333850194.db2.gz CXKFMEPWEBGUBG-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001326408611 1334086859 /nfs/dbraw/zinc/08/68/59/1334086859.db2.gz PEBHQCSVBCFDNU-TZMCWYRMSA-N 1 0 332.404 2.335 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001328076807 1334390184 /nfs/dbraw/zinc/39/01/84/1334390184.db2.gz BTWASZZKWDAMSC-DOTOQJQBSA-N 1 0 349.431 2.255 20 5 EEBDRO COc1ccc(CC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC001332151816 1335745695 /nfs/dbraw/zinc/74/56/95/1335745695.db2.gz GRAZKBNBDFNCLR-UHFFFAOYSA-N 1 0 347.415 2.138 20 5 EEBDRO COc1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001349875878 1337653981 /nfs/dbraw/zinc/65/39/81/1337653981.db2.gz VCATUBSCRARYJZ-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CC=CC3)c2)CC1 ZINC001355081967 1338692094 /nfs/dbraw/zinc/69/20/94/1338692094.db2.gz RQINDPJNFQZCCQ-UHFFFAOYSA-N 1 0 330.388 2.251 20 5 EEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001357472379 1338992144 /nfs/dbraw/zinc/99/21/44/1338992144.db2.gz ORIRFWQLQNIMFH-QGZVFWFLSA-N 1 0 335.379 2.269 20 5 EEBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001575107501 1343737712 /nfs/dbraw/zinc/73/77/12/1343737712.db2.gz COPZAYSAGUEWFT-INIZCTEOSA-N 1 0 348.447 2.003 20 5 EEBDRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001576016925 1343945872 /nfs/dbraw/zinc/94/58/72/1343945872.db2.gz IJQGLIKRWKEQCG-CLWVCHIJSA-N 1 0 346.431 2.467 20 5 EEBDRO COc1cccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1C ZINC001579278023 1344364572 /nfs/dbraw/zinc/36/45/72/1344364572.db2.gz SKYZXGZKTNSFSG-SFHVURJKSA-N 1 0 343.383 2.402 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580609476 1344542446 /nfs/dbraw/zinc/54/24/46/1344542446.db2.gz NVINIWTWSANUKI-SDDRHHMPSA-N 1 0 328.372 2.194 20 5 EEBDRO CC(C)OC1CC[NH+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001589740106 1349027483 /nfs/dbraw/zinc/02/74/83/1349027483.db2.gz XLUWPNYWOUTZJR-UHFFFAOYSA-N 1 0 346.391 2.164 20 5 EEBDRO C[C@H](CCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001589830194 1349052455 /nfs/dbraw/zinc/05/24/55/1349052455.db2.gz JNAZJYGDARKLHE-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590437208 1349324999 /nfs/dbraw/zinc/32/49/99/1349324999.db2.gz IYVGJMPUAOHMIW-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590624357 1349379406 /nfs/dbraw/zinc/37/94/06/1349379406.db2.gz ALOFQWDAROCNJK-UHFFFAOYSA-N 1 0 345.407 2.087 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591183821 1349445283 /nfs/dbraw/zinc/44/52/83/1349445283.db2.gz ITMXKOPTYFPHFS-AWEZNQCLSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603894773 1350797187 /nfs/dbraw/zinc/79/71/87/1350797187.db2.gz ISNBWWMIRRFLTQ-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001103652500 1371047948 /nfs/dbraw/zinc/04/79/48/1371047948.db2.gz JISCOVOHGFAINN-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092306 1371273092 /nfs/dbraw/zinc/27/30/92/1371273092.db2.gz UGULNNOYZWEEES-SJKOYZFVSA-N 1 0 332.356 2.172 20 5 EEBDRO Cc1ccnc(NC2(CNC(=O)CCC[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC001111902052 1371294025 /nfs/dbraw/zinc/29/40/25/1371294025.db2.gz MRPFDWWKFBCIMT-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000849429934 1373257956 /nfs/dbraw/zinc/25/79/56/1373257956.db2.gz XQHZJFOYQOFIAM-SNVBAGLBSA-N 1 0 349.840 2.175 20 5 EEBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1C ZINC001576650448 1403595495 /nfs/dbraw/zinc/59/54/95/1403595495.db2.gz WKFBVROBKSOIBD-BBBLOLIVSA-N 1 0 327.331 2.461 20 5 EEBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1C ZINC001576650451 1403595543 /nfs/dbraw/zinc/59/55/43/1403595543.db2.gz WKFBVROBKSOIBD-UTLUCORTSA-N 1 0 327.331 2.461 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001577309498 1403637280 /nfs/dbraw/zinc/63/72/80/1403637280.db2.gz WOOSVAOQXIOTER-OCCSQVGLSA-N 1 0 328.372 2.200 20 5 EEBDRO COC(=O)/C=C\c1ccc(N[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000864565153 1410470661 /nfs/dbraw/zinc/47/06/61/1410470661.db2.gz FISLNKGDNFCBSV-ZDTYVGOBSA-N 1 0 331.372 2.478 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000920445538 770708365 /nfs/dbraw/zinc/70/83/65/770708365.db2.gz JZWGIEVVEYYQAT-JTQLQIEISA-N 1 0 336.348 2.026 20 5 EEBDRO O=C(NCC1C[NH+](C/C=C\c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662750 770736038 /nfs/dbraw/zinc/73/60/38/770736038.db2.gz LAULWWLDQQUBLT-AYYPDYFKSA-N 1 0 349.818 2.066 20 5 EEBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000921143470 770995091 /nfs/dbraw/zinc/99/50/91/770995091.db2.gz ZLWRCKHEVADSIM-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846699407 790436391 /nfs/dbraw/zinc/43/63/91/790436391.db2.gz JMQBLVNEUTZEGF-UHFFFAOYSA-N 1 0 346.431 2.315 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906847957 784192405 /nfs/dbraw/zinc/19/24/05/784192405.db2.gz RMNANQNYYGWMGW-SNVBAGLBSA-N 1 0 340.811 2.244 20 5 EEBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001170859603 784622325 /nfs/dbraw/zinc/62/23/25/784622325.db2.gz SNTHTJJEOSENAC-MRXNPFEDSA-N 1 0 332.360 2.038 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3ccccc3c([N+](=O)[O-])c1N)C2 ZINC000907763962 784846802 /nfs/dbraw/zinc/84/68/02/784846802.db2.gz PEVNCRPSFAOPMT-UHFFFAOYSA-N 1 0 340.383 2.108 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000817878854 785039317 /nfs/dbraw/zinc/03/93/17/785039317.db2.gz MWPXHHNMQUMSGT-CQSZACIVSA-N 1 0 340.383 2.191 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000817995009 785113396 /nfs/dbraw/zinc/11/33/96/785113396.db2.gz SBRQSFFSDBEFRG-WCBMZHEXSA-N 1 0 329.759 2.173 20 5 EEBDRO COC(=O)c1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818945615 785336519 /nfs/dbraw/zinc/33/65/19/785336519.db2.gz MDDOWZAXNQJYRE-QGZVFWFLSA-N 1 0 344.367 2.247 20 5 EEBDRO CN(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000818957116 785343905 /nfs/dbraw/zinc/34/39/05/785343905.db2.gz RLSSJVGVDHPACN-CYBMUJFWSA-N 1 0 335.326 2.102 20 5 EEBDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819126292 785434595 /nfs/dbraw/zinc/43/45/95/785434595.db2.gz JXDGLAWDSWLLLU-SJLPKXTDSA-N 1 0 330.384 2.476 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)c1 ZINC000819268831 785501548 /nfs/dbraw/zinc/50/15/48/785501548.db2.gz WPZVXMICVRDQRA-AWEZNQCLSA-N 1 0 339.298 2.414 20 5 EEBDRO O=C(CCc1ncc[nH]1)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107173254 786218191 /nfs/dbraw/zinc/21/81/91/786218191.db2.gz GLAMIGFPYXIAHN-OWOJBTEDSA-N 1 0 347.350 2.174 20 5 EEBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000821280735 786658421 /nfs/dbraw/zinc/65/84/21/786658421.db2.gz ZBYMEZJPWHEZMZ-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc([C@@H](C)[NH3+])cc3)n2)n1C ZINC000823093825 787541045 /nfs/dbraw/zinc/54/10/45/787541045.db2.gz HUEGIAREXSCYJQ-MRVPVSSYSA-N 1 0 328.332 2.373 20 5 EEBDRO CC(C)(CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000823955969 787987989 /nfs/dbraw/zinc/98/79/89/787987989.db2.gz LYTGBTMXIICJMR-UHFFFAOYSA-N 1 0 335.408 2.421 20 5 EEBDRO Cc1cccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1[N+](=O)[O-] ZINC000912594966 788253309 /nfs/dbraw/zinc/25/33/09/788253309.db2.gz LAZZBKPRJOBIFE-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912805922 788365263 /nfs/dbraw/zinc/36/52/63/788365263.db2.gz BVXNQQMMEMGYIE-MLGOLLRUSA-N 1 0 334.420 2.369 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825110777 788440962 /nfs/dbraw/zinc/44/09/62/788440962.db2.gz INQUESLSKXZHMB-YOEHRIQHSA-N 1 0 349.431 2.399 20 5 EEBDRO COc1cccc(F)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127933438 789513371 /nfs/dbraw/zinc/51/33/71/789513371.db2.gz CJPCALXNDGBRPQ-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923433109 789544831 /nfs/dbraw/zinc/54/48/31/789544831.db2.gz NKIOBRIPGUFHOE-XIKOKIGWSA-N 1 0 345.374 2.405 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171282366 791416411 /nfs/dbraw/zinc/41/64/11/791416411.db2.gz JRZZIYRANLWWEO-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO CC(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147153227 791715196 /nfs/dbraw/zinc/71/51/96/791715196.db2.gz PUADRGIJEQWHNO-UHFFFAOYSA-N 1 0 347.415 2.054 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172912137 791791346 /nfs/dbraw/zinc/79/13/46/791791346.db2.gz LQHDRZNTBWYBFM-HNNXBMFYSA-N 1 0 344.419 2.083 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171304348 791829750 /nfs/dbraw/zinc/82/97/50/791829750.db2.gz QUOGXFDGRPZCQY-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO COc1ccsc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148626292 792610134 /nfs/dbraw/zinc/61/01/34/792610134.db2.gz HNSGZEUFDFHIAD-UHFFFAOYSA-N 1 0 341.414 2.246 20 5 EEBDRO CN1Cc2cc(N3c4ccccc4OC[C@@H]3C[NH3+])cc([N+](=O)[O-])c2N1 ZINC001171397386 794699575 /nfs/dbraw/zinc/69/95/75/794699575.db2.gz PKKPAVXXNOKGAS-ZDUSSCGKSA-N 1 0 341.371 2.225 20 5 EEBDRO Cc1cnc(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001093888943 795766908 /nfs/dbraw/zinc/76/69/08/795766908.db2.gz JAVCNHPRKDLZFE-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[N@H+](CC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC001094853533 796782383 /nfs/dbraw/zinc/78/23/83/796782383.db2.gz QQQSAWGKQQCUGO-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO O=C1CCCN1CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898924 797128351 /nfs/dbraw/zinc/12/83/51/797128351.db2.gz QPHSEXPQQBPFAA-MRXNPFEDSA-N 1 0 331.416 2.444 20 5 EEBDRO CSCC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172901326 797129447 /nfs/dbraw/zinc/12/94/47/797129447.db2.gz HEDYVMDLQVYULZ-ZFWWWQNUSA-N 1 0 337.445 2.039 20 5 EEBDRO C[NH+](C)C[C@@H]1COCCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918847 797150493 /nfs/dbraw/zinc/15/04/93/797150493.db2.gz CPGZYZPTIBAXPQ-FUHWJXTLSA-N 1 0 333.432 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)c2cccnc2)c1F ZINC001173180525 797278762 /nfs/dbraw/zinc/27/87/62/797278762.db2.gz RGQLKUPKVQOYMC-FZMZJTMJSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)c2ccccn2)c1F ZINC001173183715 797280429 /nfs/dbraw/zinc/28/04/29/797280429.db2.gz NGVDSWARQFNRBM-RISCZKNCSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)c2ccncc2)c1F ZINC001173182677 797280556 /nfs/dbraw/zinc/28/05/56/797280556.db2.gz JTMATQOVDHIJCR-FZMZJTMJSA-N 1 0 349.362 2.392 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001173219360 797299813 /nfs/dbraw/zinc/29/98/13/797299813.db2.gz BMDHSKDHWPOLPA-ZDUSSCGKSA-N 1 0 334.420 2.261 20 5 EEBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225574 797309769 /nfs/dbraw/zinc/30/97/69/797309769.db2.gz SAUHKAKKZKFJTM-MAZHCROVSA-N 1 0 336.388 2.084 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001095233912 797565960 /nfs/dbraw/zinc/56/59/60/797565960.db2.gz YXGFWCXFKPRWKB-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001002332361 797916407 /nfs/dbraw/zinc/91/64/07/797916407.db2.gz DNUGRZRIMNOSPD-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CC(C)OCCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177396584 798919291 /nfs/dbraw/zinc/91/92/91/798919291.db2.gz URYVCCOWBKOCFN-UHFFFAOYSA-N 1 0 337.420 2.396 20 5 EEBDRO CCOCC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177831557 799144774 /nfs/dbraw/zinc/14/47/74/799144774.db2.gz WCWBJLWXZGKYKQ-UHFFFAOYSA-N 1 0 343.449 2.459 20 5 EEBDRO COc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178458664 799484102 /nfs/dbraw/zinc/48/41/02/799484102.db2.gz QSVNIVANKNXAQX-IAGOWNOFSA-N 1 0 349.431 2.127 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000786813143 806908215 /nfs/dbraw/zinc/90/82/15/806908215.db2.gz BYQROIHOUPACGE-LCYFTJDESA-N 1 0 338.429 2.413 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 ZINC001086012374 801929188 /nfs/dbraw/zinc/92/91/88/801929188.db2.gz VABYNHXKWRXBDP-GASCZTMLSA-N 1 0 340.383 2.288 20 5 EEBDRO CCCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086083210 802112382 /nfs/dbraw/zinc/11/23/82/802112382.db2.gz QUFLPLLZLMIDJD-XMTFNYHQSA-N 1 0 345.443 2.289 20 5 EEBDRO Cc1nc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c(C)c1Br ZINC001168952656 803536187 /nfs/dbraw/zinc/53/61/87/803536187.db2.gz OBRIEJPOQBWORA-UHFFFAOYSA-N 1 0 340.181 2.056 20 5 EEBDRO NC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977425 803543586 /nfs/dbraw/zinc/54/35/86/803543586.db2.gz JRFCJXHEEGKSIL-SWHYSGLUSA-N 1 0 342.237 2.484 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)C1 ZINC001168997256 803563173 /nfs/dbraw/zinc/56/31/73/803563173.db2.gz YGNMFZJCXNWGBY-NVXWUHKLSA-N 1 0 333.432 2.456 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)nc2)C1 ZINC001168999482 803565037 /nfs/dbraw/zinc/56/50/37/803565037.db2.gz UHNVHWHRJIGTQS-WBVHZDCISA-N 1 0 349.431 2.422 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037172 803580674 /nfs/dbraw/zinc/58/06/74/803580674.db2.gz QZHZUODDWXYGON-BFHYXJOUSA-N 1 0 327.425 2.373 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041019 803583740 /nfs/dbraw/zinc/58/37/40/803583740.db2.gz AJHXVUOQCKJHEE-XJKCOSOUSA-N 1 0 345.415 2.371 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018256 803587107 /nfs/dbraw/zinc/58/71/07/803587107.db2.gz AGNMVOBMDBTHOM-DOTOQJQBSA-N 1 0 345.443 2.104 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025909 803591142 /nfs/dbraw/zinc/59/11/42/803591142.db2.gz JVHKDBWEUXCHQJ-DLBZAZTESA-N 1 0 333.432 2.128 20 5 EEBDRO C[N@H+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049028 803594674 /nfs/dbraw/zinc/59/46/74/803594674.db2.gz VRJIZNIHWWPBOQ-ZSAUSMIDSA-N 1 0 339.436 2.229 20 5 EEBDRO O=C1N(CC2CC2)CCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169051994 803595625 /nfs/dbraw/zinc/59/56/25/803595625.db2.gz FGJWZJCNDGGGOQ-HOTGVXAUSA-N 1 0 335.448 2.156 20 5 EEBDRO COc1ccc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169052459 803596046 /nfs/dbraw/zinc/59/60/46/803596046.db2.gz GBTXOJUJXFYPNI-UONOGXRCSA-N 1 0 335.404 2.379 20 5 EEBDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054231 803596425 /nfs/dbraw/zinc/59/64/25/803596425.db2.gz KZJVGACDVOXPTB-BMFZPTHFSA-N 1 0 329.400 2.162 20 5 EEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788914876 807758394 /nfs/dbraw/zinc/75/83/94/807758394.db2.gz BXKSLDAVTPOEMY-UHFFFAOYSA-N 1 0 349.478 2.399 20 5 EEBDRO Cc1c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170276214 809861467 /nfs/dbraw/zinc/86/14/67/809861467.db2.gz CGJOVIOEVAGMCG-KFWWJZLASA-N 1 0 327.356 2.179 20 5 EEBDRO COCC[NH+](CCOC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330065 809894500 /nfs/dbraw/zinc/89/45/00/809894500.db2.gz XPVLMJAUQDOBIY-ZDUSSCGKSA-N 1 0 326.393 2.129 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170330099 809894991 /nfs/dbraw/zinc/89/49/91/809894991.db2.gz YPYNVHGEYFLVCL-LBPRGKRZSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344410 809916009 /nfs/dbraw/zinc/91/60/09/809916009.db2.gz BUZABINFALJLBQ-DZGCQCFKSA-N 1 0 345.403 2.463 20 5 EEBDRO C[NH+]1C(C)(C)CC(Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC1(C)C ZINC001170454664 810894490 /nfs/dbraw/zinc/89/44/90/810894490.db2.gz ZSRYIIKTRSKAMV-UHFFFAOYSA-N 1 0 326.372 2.431 20 5 EEBDRO COCc1ccccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130771106 812016442 /nfs/dbraw/zinc/01/64/42/812016442.db2.gz FIDJHQUCMVBAEI-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1C1CC1 ZINC001130825389 812073287 /nfs/dbraw/zinc/07/32/87/812073287.db2.gz JQGILJRBMIKFGP-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO CC(C)(C)c1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001131209340 812537539 /nfs/dbraw/zinc/53/75/39/812537539.db2.gz QGABABITQVZGDV-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO C[C@@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170562674 812886614 /nfs/dbraw/zinc/88/66/14/812886614.db2.gz JFEJNOGOUWLPNX-MLGOLLRUSA-N 1 0 328.372 2.446 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001517388990 1119032777 /nfs/dbraw/zinc/03/27/77/1119032777.db2.gz CFENIANFRDCTPB-IHRRRGAJSA-N 1 0 338.456 2.191 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000160496506 282190746 /nfs/dbraw/zinc/19/07/46/282190746.db2.gz OBIPXGDXISHHMN-NXEZZACHSA-N 1 0 327.331 2.476 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000184088964 235303324 /nfs/dbraw/zinc/30/33/24/235303324.db2.gz TZZIKVGMFVLFCY-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513610 283376915 /nfs/dbraw/zinc/37/69/15/283376915.db2.gz XPLTWUUCGFKABZ-CABCVRRESA-N 1 0 343.387 2.164 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193646033 240246866 /nfs/dbraw/zinc/24/68/66/240246866.db2.gz ANSBOYPDUVGXTN-PWSUYJOCSA-N 1 0 341.795 2.274 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422769339 240218245 /nfs/dbraw/zinc/21/82/45/240218245.db2.gz ORGIWAKVULXOPO-VIFPVBQESA-N 1 0 329.809 2.148 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423931684 240742413 /nfs/dbraw/zinc/74/24/13/240742413.db2.gz MOYBDIADTRGOGF-DLBZAZTESA-N 1 0 325.368 2.009 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578752 242568596 /nfs/dbraw/zinc/56/85/96/242568596.db2.gz QYKASELFJLLWSD-IOASZLSFSA-N 1 0 335.404 2.453 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500163 243135962 /nfs/dbraw/zinc/13/59/62/243135962.db2.gz MVZORSDXGGMEEX-HFBAOOFYSA-N 1 0 335.404 2.491 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000451627306 243182382 /nfs/dbraw/zinc/18/23/82/243182382.db2.gz BZGSXKQKPDCHFZ-MPKXVKKWSA-N 1 0 337.376 2.088 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073900281 203275101 /nfs/dbraw/zinc/27/51/01/203275101.db2.gz WLUFVXRJNUOHMZ-OAHLLOKOSA-N 1 0 334.420 2.468 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000103143761 204063339 /nfs/dbraw/zinc/06/33/39/204063339.db2.gz PAZKXEIRMOQKBK-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO Nc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000126509693 205059953 /nfs/dbraw/zinc/05/99/53/205059953.db2.gz JURBETSASGQQGT-WFASDCNBSA-N 1 0 344.415 2.266 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130782048 205256909 /nfs/dbraw/zinc/25/69/09/205256909.db2.gz NXLZMBAGDPAZPE-CYBMUJFWSA-N 1 0 345.403 2.449 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491533249 246063480 /nfs/dbraw/zinc/06/34/80/246063480.db2.gz OMNCNUFLFXHCKG-CGQZWFTASA-N 1 0 347.415 2.177 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1C ZINC000491986778 246245651 /nfs/dbraw/zinc/24/56/51/246245651.db2.gz NGUWITJSPGOWBD-NEPJUHHUSA-N 1 0 334.376 2.446 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000158505720 206195155 /nfs/dbraw/zinc/19/51/55/206195155.db2.gz QBRBTXGLEOVDOQ-BXUZGUMPSA-N 1 0 325.796 2.424 20 5 EEBDRO CCS[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159816088 206265647 /nfs/dbraw/zinc/26/56/47/206265647.db2.gz KQYZGMACFVSIHK-AWEZNQCLSA-N 1 0 325.434 2.364 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)Cn1cccn1 ZINC000264942891 247068179 /nfs/dbraw/zinc/06/81/79/247068179.db2.gz ANLBEVQWLCHNMH-CYBMUJFWSA-N 1 0 331.376 2.107 20 5 EEBDRO CC1CC[NH+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000160217285 206285220 /nfs/dbraw/zinc/28/52/20/206285220.db2.gz AEVAEKZFCHDOON-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266092895 248091929 /nfs/dbraw/zinc/09/19/29/248091929.db2.gz IPNWSDYFTZEGLR-ZDUSSCGKSA-N 1 0 334.420 2.304 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266983230 248536345 /nfs/dbraw/zinc/53/63/45/248536345.db2.gz GQILSGBXNUEBMF-UHFFFAOYSA-N 1 0 335.404 2.214 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[NH+]1CCCC1 ZINC000172099798 206788638 /nfs/dbraw/zinc/78/86/38/206788638.db2.gz AJEXPDVPJHEOCM-UHFFFAOYSA-N 1 0 325.796 2.393 20 5 EEBDRO CC(C)[C@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176247034 207206834 /nfs/dbraw/zinc/20/68/34/207206834.db2.gz BQABTLUHEONHIZ-INIZCTEOSA-N 1 0 332.404 2.310 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)n1 ZINC000176269770 207209573 /nfs/dbraw/zinc/20/95/73/207209573.db2.gz AVVCHOVJBBIXDA-INIZCTEOSA-N 1 0 330.388 2.330 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420259959 285088298 /nfs/dbraw/zinc/08/82/98/285088298.db2.gz NGLUADISRNACNM-NSHDSACASA-N 1 0 345.230 2.386 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428484390 296400924 /nfs/dbraw/zinc/40/09/24/296400924.db2.gz MCHXZIFINSIJSO-TZMCWYRMSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261569 256042978 /nfs/dbraw/zinc/04/29/78/256042978.db2.gz WVFGZLJHRANNGB-OCCSQVGLSA-N 1 0 342.403 2.290 20 5 EEBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267953285 256099695 /nfs/dbraw/zinc/09/96/95/256099695.db2.gz XBSIBGYYSORRGW-UHFFFAOYSA-N 1 0 337.376 2.245 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000267968912 256100621 /nfs/dbraw/zinc/10/06/21/256100621.db2.gz MHQNXAKGZPQAST-ZDUSSCGKSA-N 1 0 336.392 2.054 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1C1CC1 ZINC000267991574 256103388 /nfs/dbraw/zinc/10/33/88/256103388.db2.gz QDSILANTCNOITP-WDEREUQCSA-N 1 0 328.372 2.431 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000270447089 256136397 /nfs/dbraw/zinc/13/63/97/256136397.db2.gz DTUWHBQJGKFNAD-WBVHZDCISA-N 1 0 346.431 2.263 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000270452448 256137139 /nfs/dbraw/zinc/13/71/39/256137139.db2.gz LEWFAHVBHJTDCS-UKRRQHHQSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268126290 256116116 /nfs/dbraw/zinc/11/61/16/256116116.db2.gz AOWYQHVWVIAAAK-BXUZGUMPSA-N 1 0 343.387 2.019 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159192 256120631 /nfs/dbraw/zinc/12/06/31/256120631.db2.gz HTJOETVBCLAZPW-ABAIWWIYSA-N 1 0 335.429 2.286 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270554755 256147967 /nfs/dbraw/zinc/14/79/67/256147967.db2.gz RYVWCZDZMBPBBJ-CZUORRHYSA-N 1 0 332.404 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1cnccn1 ZINC000271297904 256230444 /nfs/dbraw/zinc/23/04/44/256230444.db2.gz DNOYKDYHQVYKET-UHFFFAOYSA-N 1 0 343.387 2.196 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000272824287 256241766 /nfs/dbraw/zinc/24/17/66/256241766.db2.gz 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COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000377279086 154123720 /nfs/dbraw/zinc/12/37/20/154123720.db2.gz SQZBNVVNJSUNEZ-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO COc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000262117509 160440075 /nfs/dbraw/zinc/44/00/75/160440075.db2.gz XBUGLHAZLQIRFU-GXSJLCMTSA-N 1 0 345.346 2.026 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000119428489 159377801 /nfs/dbraw/zinc/37/78/01/159377801.db2.gz PFQXZAWZLQPOHI-LBPRGKRZSA-N 1 0 345.403 2.188 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178485571 159901795 /nfs/dbraw/zinc/90/17/95/159901795.db2.gz LGZMUQSDTPHDSY-HNNXBMFYSA-N 1 0 349.431 2.148 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000246736379 160292454 /nfs/dbraw/zinc/29/24/54/160292454.db2.gz NSRMAGVOWFHSRT-SJLPKXTDSA-N 1 0 344.415 2.249 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC[C@H]21 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LLGRJOYAQTZBTP-WBVHZDCISA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343483828 161140247 /nfs/dbraw/zinc/14/02/47/161140247.db2.gz FDHYRIHVJSVGQI-HZMBPMFUSA-N 1 0 325.796 2.390 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000344216902 161208032 /nfs/dbraw/zinc/20/80/32/161208032.db2.gz JAUVQSOCPKNYRF-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000346721633 161396065 /nfs/dbraw/zinc/39/60/65/161396065.db2.gz QMXYMCRHFVWUQO-OAHLLOKOSA-N 1 0 335.404 2.086 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000351985997 162015549 /nfs/dbraw/zinc/01/55/49/162015549.db2.gz DITXNXMJNCMFLF-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000352139851 162082978 /nfs/dbraw/zinc/08/29/78/162082978.db2.gz IEDYCUONABFKAO-CQSZACIVSA-N 1 0 328.372 2.175 20 5 EEBDRO CSCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352504542 162162748 /nfs/dbraw/zinc/16/27/48/162162748.db2.gz REJJCAGTVAVKPI-BXUZGUMPSA-N 1 0 325.434 2.455 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358704544 163963882 /nfs/dbraw/zinc/96/38/82/163963882.db2.gz PRGPLHZYAPMFNL-JHJVBQTASA-N 1 0 348.403 2.173 20 5 EEBDRO [NH3+]CC1(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000361610738 164473183 /nfs/dbraw/zinc/47/31/83/164473183.db2.gz OODITAQTVSSWHJ-UHFFFAOYSA-N 1 0 334.420 2.422 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC000368816669 166133107 /nfs/dbraw/zinc/13/31/07/166133107.db2.gz KSACHUDJMXMDGG-UHFFFAOYSA-N 1 0 347.415 2.356 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374059739 167011111 /nfs/dbraw/zinc/01/11/11/167011111.db2.gz UAUJEQCESSFXBZ-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000125386859 222556299 /nfs/dbraw/zinc/55/62/99/222556299.db2.gz PXFQPTRUNBBYJK-GFCCVEGCSA-N 1 0 343.449 2.158 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272304089 268948384 /nfs/dbraw/zinc/94/83/84/268948384.db2.gz QWSCLZFNYYZQOP-DTWKUNHWSA-N 1 0 331.294 2.423 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272697291 269010048 /nfs/dbraw/zinc/01/00/48/269010048.db2.gz YBRDGMCFMBSBEL-FZMZJTMJSA-N 1 0 335.429 2.483 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275764057 269140197 /nfs/dbraw/zinc/14/01/97/269140197.db2.gz PBSJYHHDZWKMHB-GXTWGEPZSA-N 1 0 334.376 2.352 20 5 EEBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000277678785 269171087 /nfs/dbraw/zinc/17/10/87/269171087.db2.gz GFXJZLYMJISLOO-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1 ZINC000275850317 274269501 /nfs/dbraw/zinc/26/95/01/274269501.db2.gz HUAIXVLDMYGFEO-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285233557 274698626 /nfs/dbraw/zinc/69/86/26/274698626.db2.gz VPFDVWGNSGXWTI-UHFFFAOYSA-N 1 0 347.375 2.291 20 5 EEBDRO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000367695110 274707395 /nfs/dbraw/zinc/70/73/95/274707395.db2.gz XOUQOHADZWBSAN-CQSZACIVSA-N 1 0 342.399 2.362 20 5 EEBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000288276839 275041699 /nfs/dbraw/zinc/04/16/99/275041699.db2.gz QXDPEGVJQPSBNW-AAEUAGOBSA-N 1 0 328.376 2.042 20 5 EEBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966401 275166183 /nfs/dbraw/zinc/16/61/83/275166183.db2.gz ZGXYIIRRDLMVGH-UXILZDJPSA-N 1 0 331.416 2.403 20 5 EEBDRO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[N@@H+]1C1CC1 ZINC000290525950 275215330 /nfs/dbraw/zinc/21/53/30/275215330.db2.gz CVFKUGADKXLFLL-VHSXEESVSA-N 1 0 329.360 2.281 20 5 EEBDRO CCC(CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000290538331 275216464 /nfs/dbraw/zinc/21/64/64/275216464.db2.gz OZYOUHIEWXHKQT-AWEZNQCLSA-N 1 0 349.435 2.401 20 5 EEBDRO NC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000291005169 275260164 /nfs/dbraw/zinc/26/01/64/275260164.db2.gz VPCMTNFKHBBPHA-CYBMUJFWSA-N 1 0 347.419 2.298 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H](n2cccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291389496 275300645 /nfs/dbraw/zinc/30/06/45/275300645.db2.gz BHSUPMXHYATXTE-ZDUSSCGKSA-N 1 0 347.350 2.206 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)n1 ZINC000292842001 275487398 /nfs/dbraw/zinc/48/73/98/275487398.db2.gz UVPNCGXIACNMPN-INIZCTEOSA-N 1 0 330.388 2.285 20 5 EEBDRO CCC[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCOC ZINC000195269104 276031628 /nfs/dbraw/zinc/03/16/28/276031628.db2.gz KXYAYQMYDUFNHC-CQSZACIVSA-N 1 0 348.447 2.500 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000175273990 276376663 /nfs/dbraw/zinc/37/66/63/276376663.db2.gz RLFAKLVJDFSNMX-QGZVFWFLSA-N 1 0 349.431 2.290 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000368139072 276498731 /nfs/dbraw/zinc/49/87/31/276498731.db2.gz MZIDRLRZGCZHGA-UKRRQHHQSA-N 1 0 335.404 2.029 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000157252171 277157320 /nfs/dbraw/zinc/15/73/20/277157320.db2.gz RIIXWSNJKULJPJ-IAQYHMDHSA-N 1 0 348.359 2.059 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000344403933 281015216 /nfs/dbraw/zinc/01/52/16/281015216.db2.gz CTDVQLHZEQTKFM-HNNXBMFYSA-N 1 0 335.404 2.129 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237646835 288327544 /nfs/dbraw/zinc/32/75/44/288327544.db2.gz UJHOGZVNTGVJJD-DTWKUNHWSA-N 1 0 342.193 2.180 20 5 EEBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284103232 293032149 /nfs/dbraw/zinc/03/21/49/293032149.db2.gz MXUSTXOKBGJELU-ZFWWWQNUSA-N 1 0 326.418 2.083 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296148588 293902261 /nfs/dbraw/zinc/90/22/61/293902261.db2.gz JZAUQHRVZSVSFP-XZJROXQQSA-N 1 0 333.388 2.327 20 5 EEBDRO COc1cc(CN2CC[C@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000296544173 294004149 /nfs/dbraw/zinc/00/41/49/294004149.db2.gz BPQKKVLXWGXXQH-NSHDSACASA-N 1 0 341.339 2.015 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000296951712 294110770 /nfs/dbraw/zinc/11/07/70/294110770.db2.gz XWYICTBSFWSIQR-KNCCTNLNSA-N 1 0 344.415 2.419 20 5 EEBDRO Cc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000299571134 294776982 /nfs/dbraw/zinc/77/69/82/294776982.db2.gz VTDNSVDUXWNKKN-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299663273 294798860 /nfs/dbraw/zinc/79/88/60/294798860.db2.gz WKNGUWXGHGNHMQ-CYBMUJFWSA-N 1 0 339.440 2.117 20 5 EEBDRO COc1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759050 295135361 /nfs/dbraw/zinc/13/53/61/295135361.db2.gz PLVUDGZBJGIECW-IAGOWNOFSA-N 1 0 336.388 2.013 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449715844 295275172 /nfs/dbraw/zinc/27/51/72/295275172.db2.gz JWKUNIGSEGQLTL-WCBMZHEXSA-N 1 0 331.294 2.471 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000330743561 311782580 /nfs/dbraw/zinc/78/25/80/311782580.db2.gz RLHVFXHEFVCRQT-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000332346954 311993646 /nfs/dbraw/zinc/99/36/46/311993646.db2.gz YOPRSGCBZZMOHK-CHWSQXEVSA-N 1 0 335.404 2.376 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000332676291 312044041 /nfs/dbraw/zinc/04/40/41/312044041.db2.gz QMBYNDGKHXXKNM-IRXDYDNUSA-N 1 0 347.415 2.495 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686250 312045393 /nfs/dbraw/zinc/04/53/93/312045393.db2.gz VOCHQIXXOTWESR-GHMZBOCLSA-N 1 0 339.342 2.111 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000333984630 312224205 /nfs/dbraw/zinc/22/42/05/312224205.db2.gz DZTIEGHDDOQECL-KBPBESRZSA-N 1 0 348.447 2.369 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360879605 312414375 /nfs/dbraw/zinc/41/43/75/312414375.db2.gz JFBUZQPWORMENQ-VXGBXAGGSA-N 1 0 325.413 2.031 20 5 EEBDRO COCC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000414694345 313064855 /nfs/dbraw/zinc/06/48/55/313064855.db2.gz FSHJIYPKXLJSHX-UHFFFAOYSA-N 1 0 336.392 2.041 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417714940 313574263 /nfs/dbraw/zinc/57/42/63/313574263.db2.gz JGRKEARYUZQDCP-CYBMUJFWSA-N 1 0 337.424 2.002 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420940753 314003666 /nfs/dbraw/zinc/00/36/66/314003666.db2.gz NDXVLFQCSWGJIF-TZMCWYRMSA-N 1 0 335.404 2.182 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000439882272 315100881 /nfs/dbraw/zinc/10/08/81/315100881.db2.gz OVRAZHRACFYQGM-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000520999932 316888405 /nfs/dbraw/zinc/88/84/05/316888405.db2.gz HYGQJNNKAHZPKP-UHFFFAOYSA-N 1 0 348.378 2.276 20 5 EEBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000521318165 316906543 /nfs/dbraw/zinc/90/65/43/316906543.db2.gz OVRITNFHYYSYAA-UHFFFAOYSA-N 1 0 346.391 2.156 20 5 EEBDRO Cn1cc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000545292739 318214544 /nfs/dbraw/zinc/21/45/44/318214544.db2.gz ISYBTAXQIYCTFN-UHFFFAOYSA-N 1 0 331.376 2.182 20 5 EEBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000548453392 318389802 /nfs/dbraw/zinc/38/98/02/318389802.db2.gz OHARNBVZWXCKOB-HNNXBMFYSA-N 1 0 335.404 2.306 20 5 EEBDRO COc1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559238419 318741845 /nfs/dbraw/zinc/74/18/45/318741845.db2.gz DUPKWHCFFKAZJP-OAHLLOKOSA-N 1 0 332.356 2.133 20 5 EEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000564853700 319118283 /nfs/dbraw/zinc/11/82/83/319118283.db2.gz HRACFRQSIFFCEW-INIZCTEOSA-N 1 0 332.404 2.011 20 5 EEBDRO CCn1ccnc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564858713 319119027 /nfs/dbraw/zinc/11/90/27/319119027.db2.gz JXDBSHSADRNYNH-LBPRGKRZSA-N 1 0 331.376 2.491 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116060 319247224 /nfs/dbraw/zinc/24/72/24/319247224.db2.gz HLHBATUOHUNDAR-GOEBONIOSA-N 1 0 346.383 2.392 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000576295812 320159144 /nfs/dbraw/zinc/15/91/44/320159144.db2.gz WLKLYUHYJDNUML-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860330 320280579 /nfs/dbraw/zinc/28/05/79/320280579.db2.gz XKHHMAQEKBESLA-RISCZKNCSA-N 1 0 349.387 2.160 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000182280892 323370807 /nfs/dbraw/zinc/37/08/07/323370807.db2.gz SQXTYTIPFNSBOA-ZBFHGGJFSA-N 1 0 333.388 2.031 20 5 EEBDRO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000325863343 465032656 /nfs/dbraw/zinc/03/26/56/465032656.db2.gz IZVCZLUXXRBJRW-ZIAGYGMSSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000296073542 465073223 /nfs/dbraw/zinc/07/32/23/465073223.db2.gz GQPRKUHYIPXUKD-JLZZUVOBSA-N 1 0 345.399 2.471 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000296114540 465085438 /nfs/dbraw/zinc/08/54/38/465085438.db2.gz QOASHSMISBAZPU-GFCCVEGCSA-N 1 0 331.376 2.491 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296148539 465096532 /nfs/dbraw/zinc/09/65/32/465096532.db2.gz JZAUQHRVZSVSFP-HFBAOOFYSA-N 1 0 333.388 2.327 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncn(C)n1 ZINC000358396681 465099411 /nfs/dbraw/zinc/09/94/11/465099411.db2.gz JAAIFJWBFNVTKA-LBPRGKRZSA-N 1 0 335.433 2.426 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358415894 465109560 /nfs/dbraw/zinc/10/95/60/465109560.db2.gz SSKDFJOXUBUKNJ-ZDUSSCGKSA-N 1 0 337.395 2.467 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCC[NH+]1CCCC1 ZINC000337237712 465260645 /nfs/dbraw/zinc/26/06/45/465260645.db2.gz YXERIEIFWZGFPR-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000358691092 465266305 /nfs/dbraw/zinc/26/63/05/465266305.db2.gz WTHJEMWOFGDDJN-ZDUSSCGKSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000127516540 462560422 /nfs/dbraw/zinc/56/04/22/462560422.db2.gz YVRWNHPCYMBTOJ-QWRGUYRKSA-N 1 0 331.376 2.026 20 5 EEBDRO CN(CC[NH+]1CCCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000063054975 462627843 /nfs/dbraw/zinc/62/78/43/462627843.db2.gz QUOKVYTWJCWXPD-UHFFFAOYSA-N 1 0 329.198 2.284 20 5 EEBDRO O=C(C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000046037230 462640304 /nfs/dbraw/zinc/64/03/04/462640304.db2.gz FXTFEUSQXQKOMI-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000114383784 462642942 /nfs/dbraw/zinc/64/29/42/462642942.db2.gz NYJFLTJGIDBZPY-UHFFFAOYSA-N 1 0 334.420 2.491 20 5 EEBDRO Cc1nc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645238 462703219 /nfs/dbraw/zinc/70/32/19/462703219.db2.gz MBSPYIHKLPQORN-JKSUJKDBSA-N 1 0 342.399 2.346 20 5 EEBDRO C[NH+](C)C1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153901748 462706525 /nfs/dbraw/zinc/70/65/25/462706525.db2.gz NZZUMFHXMZBGPW-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000154633231 462790867 /nfs/dbraw/zinc/79/08/67/462790867.db2.gz XLEPEMSESDCJKH-ROUUACIJSA-N 1 0 328.368 2.220 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000090882255 462814735 /nfs/dbraw/zinc/81/47/35/462814735.db2.gz GVABURRGNSFDEY-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154879636 462818192 /nfs/dbraw/zinc/81/81/92/462818192.db2.gz HMLUDYPYGCZJIM-RDJZCZTQSA-N 1 0 331.416 2.470 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000066138224 462855161 /nfs/dbraw/zinc/85/51/61/462855161.db2.gz AGERWBJRCQXUBP-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000155486046 462898801 /nfs/dbraw/zinc/89/88/01/462898801.db2.gz UDKISLVNRNHETK-SECBINFHSA-N 1 0 344.209 2.461 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000155530548 462904173 /nfs/dbraw/zinc/90/41/73/462904173.db2.gz FIXDXNRVZSXDEN-CJNGLKHVSA-N 1 0 333.388 2.424 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015360849 462949891 /nfs/dbraw/zinc/94/98/91/462949891.db2.gz JVBLYTYUFNJUJY-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000067331897 462992956 /nfs/dbraw/zinc/99/29/56/462992956.db2.gz HFVCALYHNFSKIJ-AWEZNQCLSA-N 1 0 349.435 2.401 20 5 EEBDRO CN(C)c1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534515 463039846 /nfs/dbraw/zinc/03/98/46/463039846.db2.gz GJNLBDLPXPYVDM-LLVKDONJSA-N 1 0 348.432 2.199 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000077841849 463060732 /nfs/dbraw/zinc/06/07/32/463060732.db2.gz GOZHCZWUEORHOW-CQSZACIVSA-N 1 0 349.435 2.180 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078404059 463113573 /nfs/dbraw/zinc/11/35/73/463113573.db2.gz SVLNVANFHLJDNE-LBPRGKRZSA-N 1 0 325.796 2.407 20 5 EEBDRO Cc1nn(C)c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078507025 463123804 /nfs/dbraw/zinc/12/38/04/463123804.db2.gz XWWVPCUPUHKGDM-HNNXBMFYSA-N 1 0 329.404 2.347 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000157449013 463132867 /nfs/dbraw/zinc/13/28/67/463132867.db2.gz WZTCGHIHDLTLTB-INIZCTEOSA-N 1 0 334.420 2.119 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000026713672 463170477 /nfs/dbraw/zinc/17/04/77/463170477.db2.gz YMIJIYINGZGVQX-KRWDZBQOSA-N 1 0 343.383 2.394 20 5 EEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@@H]1[NH3+] ZINC000522001522 468347397 /nfs/dbraw/zinc/34/73/97/468347397.db2.gz VACYRSOQDPHLKN-HIFRSBDPSA-N 1 0 346.431 2.007 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000054510003 463239116 /nfs/dbraw/zinc/23/91/16/463239116.db2.gz DDHBZNKXYHZVIX-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079943947 463263327 /nfs/dbraw/zinc/26/33/27/463263327.db2.gz KQSJUTYOXBMOQG-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO COCCCOC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000122543318 463273080 /nfs/dbraw/zinc/27/30/80/463273080.db2.gz GYJKLABYBFVSMF-UHFFFAOYSA-N 1 0 338.404 2.491 20 5 EEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000080231209 463297921 /nfs/dbraw/zinc/29/79/21/463297921.db2.gz MCAIDWBWYKFAGY-TZMCWYRMSA-N 1 0 342.403 2.432 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000055376336 463312823 /nfs/dbraw/zinc/31/28/23/463312823.db2.gz BDVGOWRUYGQJIU-BETUJISGSA-N 1 0 336.392 2.216 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000097080907 463316545 /nfs/dbraw/zinc/31/65/45/463316545.db2.gz VWPQRDMQAFYGEN-CQSZACIVSA-N 1 0 329.360 2.414 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139876848 463333727 /nfs/dbraw/zinc/33/37/27/463333727.db2.gz WSHKYJMGWAPUTH-SQWLQELKSA-N 1 0 346.431 2.338 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108308113 463596783 /nfs/dbraw/zinc/59/67/83/463596783.db2.gz MZRJBTLENPMBRO-MRXNPFEDSA-N 1 0 346.431 2.387 20 5 EEBDRO CC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000164517984 463625798 /nfs/dbraw/zinc/62/57/98/463625798.db2.gz FTMCVCSYZKVSBI-INIZCTEOSA-N 1 0 335.404 2.305 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000073688108 463642784 /nfs/dbraw/zinc/64/27/84/463642784.db2.gz AMLQXMYTEORUAK-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000170712674 463698535 /nfs/dbraw/zinc/69/85/35/463698535.db2.gz NJXJAIOHONSGNJ-OAHLLOKOSA-N 1 0 343.387 2.315 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286869524 463729690 /nfs/dbraw/zinc/72/96/90/463729690.db2.gz YRQPNCDHDXIQBV-UHFFFAOYSA-N 1 0 329.360 2.474 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073760 463786376 /nfs/dbraw/zinc/78/63/76/463786376.db2.gz QYPWDFFRHUAGKW-WFASDCNBSA-N 1 0 334.376 2.419 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C ZINC000261808229 463866225 /nfs/dbraw/zinc/86/62/25/463866225.db2.gz VNKNKZUIUACSOQ-CHWSQXEVSA-N 1 0 341.433 2.102 20 5 EEBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000185774661 463877000 /nfs/dbraw/zinc/87/70/00/463877000.db2.gz ROQHXVACRCGBGD-ZDUSSCGKSA-N 1 0 337.376 2.314 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277188846 463903894 /nfs/dbraw/zinc/90/38/94/463903894.db2.gz BEQQQSNCVNCSRD-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1SC ZINC000269232459 463920024 /nfs/dbraw/zinc/92/00/24/463920024.db2.gz VVUKGNBEOOYPFE-KOLCDFICSA-N 1 0 339.417 2.135 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269258568 463931443 /nfs/dbraw/zinc/93/14/43/463931443.db2.gz CQROPKUEXCBAIE-ZBFHGGJFSA-N 1 0 330.388 2.274 20 5 EEBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262084023 463942927 /nfs/dbraw/zinc/94/29/27/463942927.db2.gz UCEGDLCJTSFCCN-MRXNPFEDSA-N 1 0 328.372 2.145 20 5 EEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178932166 464018192 /nfs/dbraw/zinc/01/81/92/464018192.db2.gz IJPNYVCATSCOMA-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579108 464026030 /nfs/dbraw/zinc/02/60/30/464026030.db2.gz YXCYCZJBSFRVJP-DOTOQJQBSA-N 1 0 338.404 2.259 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC000178978599 464029025 /nfs/dbraw/zinc/02/90/25/464029025.db2.gz JLEUCIXZHUOSPR-DOMZBBRYSA-N 1 0 341.433 2.089 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000178993728 464032025 /nfs/dbraw/zinc/03/20/25/464032025.db2.gz GLLWYHPDPMBCBN-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186695655 464052029 /nfs/dbraw/zinc/05/20/29/464052029.db2.gz ICXNLRVWFNHBMV-UFBFGSQYSA-N 1 0 342.193 2.085 20 5 EEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721544 464057163 /nfs/dbraw/zinc/05/71/63/464057163.db2.gz PADQDORAOJOSRA-YOEHRIQHSA-N 1 0 335.404 2.086 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186795829 464066227 /nfs/dbraw/zinc/06/62/27/464066227.db2.gz SUXPXFQEZMZOPI-GWCFXTLKSA-N 1 0 346.412 2.446 20 5 EEBDRO CC(C)[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000263924221 464241327 /nfs/dbraw/zinc/24/13/27/464241327.db2.gz WYTWAIYERQPOLP-UHFFFAOYSA-N 1 0 332.404 2.400 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000264487434 464346337 /nfs/dbraw/zinc/34/63/37/464346337.db2.gz RVIQHNMJFZBMEO-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO C[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180697487 464373182 /nfs/dbraw/zinc/37/31/82/464373182.db2.gz SIGLQSWNCJKGKM-UHFFFAOYSA-N 1 0 328.372 2.039 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386591 464435762 /nfs/dbraw/zinc/43/57/62/464435762.db2.gz MYRIBOOSUOLBLQ-OLZOCXBDSA-N 1 0 333.388 2.023 20 5 EEBDRO C[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000181161213 464451772 /nfs/dbraw/zinc/45/17/72/464451772.db2.gz QONSYVWBAGRLPA-UHFFFAOYSA-N 1 0 346.362 2.178 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+]2CCCC2)cc1 ZINC000285111445 464457479 /nfs/dbraw/zinc/45/74/79/464457479.db2.gz HXDCAWWBHSOWKT-OAHLLOKOSA-N 1 0 343.387 2.193 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000294310863 464461986 /nfs/dbraw/zinc/46/19/86/464461986.db2.gz WKKWJDFJTDYHAY-MRXNPFEDSA-N 1 0 348.359 2.061 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000175161479 464497549 /nfs/dbraw/zinc/49/75/49/464497549.db2.gz HIUMXSNWNSJZFP-CYBMUJFWSA-N 1 0 335.404 2.471 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153539 464498403 /nfs/dbraw/zinc/49/84/03/464498403.db2.gz CZXYXADEQDFLQJ-SMDDNHRTSA-N 1 0 341.358 2.485 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000272299238 464554561 /nfs/dbraw/zinc/55/45/61/464554561.db2.gz QHUDPVONQMEAGT-CHWSQXEVSA-N 1 0 332.404 2.004 20 5 EEBDRO NC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246212326 464558920 /nfs/dbraw/zinc/55/89/20/464558920.db2.gz AONKFZLZHCTRLN-DZGCQCFKSA-N 1 0 344.415 2.147 20 5 EEBDRO Cn1ccnc1[C@H](NC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272514161 464638744 /nfs/dbraw/zinc/63/87/44/464638744.db2.gz JTEAZZIPHOSVBK-MRXNPFEDSA-N 1 0 329.404 2.102 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000247139359 464651975 /nfs/dbraw/zinc/65/19/75/464651975.db2.gz WDPIDLANVWJHOC-GXTWGEPZSA-N 1 0 348.403 2.087 20 5 EEBDRO CNC(=O)c1ccc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000272586249 464669951 /nfs/dbraw/zinc/66/99/51/464669951.db2.gz VSKNXHDXJORPAW-LBPRGKRZSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000285925037 464744343 /nfs/dbraw/zinc/74/43/43/464744343.db2.gz DYHFITLBQOHCHF-CYBMUJFWSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000282355233 464786681 /nfs/dbraw/zinc/78/66/81/464786681.db2.gz AXPJOAMROVUHQH-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249096727 464840708 /nfs/dbraw/zinc/84/07/08/464840708.db2.gz MFOPWDUKBQUTJO-UPJWGTAASA-N 1 0 334.420 2.154 20 5 EEBDRO CNC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286461719 464925986 /nfs/dbraw/zinc/92/59/86/464925986.db2.gz VADXQWZCQCWJFT-OCCSQVGLSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCCC1 ZINC000286478464 464932221 /nfs/dbraw/zinc/93/22/21/464932221.db2.gz ULCPGDQOZCBZDX-NSHDSACASA-N 1 0 331.376 2.387 20 5 EEBDRO CCN(CCC[NH+](CC)CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000276529473 464968037 /nfs/dbraw/zinc/96/80/37/464968037.db2.gz YNSYEIGEZXKSOA-UHFFFAOYSA-N 1 0 339.440 2.070 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177247835 464969869 /nfs/dbraw/zinc/96/98/69/464969869.db2.gz IUIGGBKWPWNABN-UHFFFAOYSA-N 1 0 349.435 2.013 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000286628082 464983768 /nfs/dbraw/zinc/98/37/68/464983768.db2.gz YCYOULWDWBZMDP-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286649657 464990509 /nfs/dbraw/zinc/99/05/09/464990509.db2.gz WUSHDZQVEMJXTJ-ZFWWWQNUSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000599988632 468429520 /nfs/dbraw/zinc/42/95/20/468429520.db2.gz KNKDKTWKEZWASZ-JYAVWHMHSA-N 1 0 331.397 2.442 20 5 EEBDRO CO[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C[NH3+])C1 ZINC000359223567 465387901 /nfs/dbraw/zinc/38/79/01/465387901.db2.gz DSKINTCYYBWIPF-CHWSQXEVSA-N 1 0 349.412 2.388 20 5 EEBDRO Nc1nc(N(CC[NH+]2CCCCCC2)C2CCC2)ncc1[N+](=O)[O-] ZINC000359967803 465512784 /nfs/dbraw/zinc/51/27/84/465512784.db2.gz KFWUBEJSCDAIRI-UHFFFAOYSA-N 1 0 334.424 2.202 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356734145 465513127 /nfs/dbraw/zinc/51/31/27/465513127.db2.gz CEYACBZHONYWHI-NSHDSACASA-N 1 0 346.387 2.307 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCC[NH2+]CC1 ZINC000591279359 468437302 /nfs/dbraw/zinc/43/73/02/468437302.db2.gz NEFNZQULTDVEME-SECBINFHSA-N 1 0 344.318 2.460 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000356975111 465672359 /nfs/dbraw/zinc/67/23/59/465672359.db2.gz JKMSPRIGDZVZPA-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCSC1 ZINC000299501954 465778171 /nfs/dbraw/zinc/77/81/71/465778171.db2.gz BRFWTYXZXZTAMG-LBPRGKRZSA-N 1 0 339.417 2.369 20 5 EEBDRO C[C@@H]1COCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990708 468453457 /nfs/dbraw/zinc/45/34/57/468453457.db2.gz JRPRXLIDVFSQSA-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO CNc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361171932 465813312 /nfs/dbraw/zinc/81/33/12/465813312.db2.gz PHBVMGKSGWTMHZ-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504603 465938926 /nfs/dbraw/zinc/93/89/26/465938926.db2.gz SHQGYPQSRSVWMR-DYVFJYSZSA-N 1 0 343.431 2.490 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCCC[C@@H]3CO)n2)c1 ZINC000594015173 468461977 /nfs/dbraw/zinc/46/19/77/468461977.db2.gz VBMSQICIOHOKMZ-CQSZACIVSA-N 1 0 332.360 2.382 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699426 465951638 /nfs/dbraw/zinc/95/16/38/465951638.db2.gz OWVNLZAQFLQLRE-FRFSOERESA-N 1 0 338.404 2.374 20 5 EEBDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000362853102 466075007 /nfs/dbraw/zinc/07/50/07/466075007.db2.gz SPCNOQGWOLTGBN-HNNXBMFYSA-N 1 0 335.452 2.272 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC000362857264 466077974 /nfs/dbraw/zinc/07/79/74/466077974.db2.gz VYKBAGSEYVJGHG-UHFFFAOYSA-N 1 0 330.392 2.813 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000346646761 466124216 /nfs/dbraw/zinc/12/42/16/466124216.db2.gz DAJHEINLPTYLAD-ZIAGYGMSSA-N 1 0 329.404 2.428 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000357865914 466273349 /nfs/dbraw/zinc/27/33/49/466273349.db2.gz TWLVCGATVZEENG-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000305465261 466410209 /nfs/dbraw/zinc/41/02/09/466410209.db2.gz WQWOHNNFXYOHIQ-RISCZKNCSA-N 1 0 332.360 2.238 20 5 EEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839134 466479303 /nfs/dbraw/zinc/47/93/03/466479303.db2.gz GMRYSTZVRNINJZ-OCCSQVGLSA-N 1 0 349.387 2.128 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347317167 466559396 /nfs/dbraw/zinc/55/93/96/466559396.db2.gz IQODZHUXXSFYEA-XJKSGUPXSA-N 1 0 345.359 2.274 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591673374 468501215 /nfs/dbraw/zinc/50/12/15/468501215.db2.gz RTQVQONZPFTKKF-ZYHUDNBSSA-N 1 0 327.331 2.325 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000415431627 466676528 /nfs/dbraw/zinc/67/65/28/466676528.db2.gz DSQIKYAFVIUIGJ-SNVBAGLBSA-N 1 0 332.282 2.472 20 5 EEBDRO COc1ccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000415436140 466679103 /nfs/dbraw/zinc/67/91/03/466679103.db2.gz JHPIJRMCZVEMSV-UHFFFAOYSA-N 1 0 334.376 2.211 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126035 466786763 /nfs/dbraw/zinc/78/67/63/466786763.db2.gz CIFFCJXLPCRHLI-DDUYRFODSA-N 1 0 332.404 2.425 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000417171217 466794833 /nfs/dbraw/zinc/79/48/33/466794833.db2.gz DMHUUMDMAISHAW-FZMZJTMJSA-N 1 0 336.392 2.015 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423649750 466795036 /nfs/dbraw/zinc/79/50/36/466795036.db2.gz JBEWHYLLHONKFZ-DZGCQCFKSA-N 1 0 333.388 2.111 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCn3cncc3C1)CC2 ZINC000370313410 466833358 /nfs/dbraw/zinc/83/33/58/466833358.db2.gz AFIOVCBRMNFEQD-CYBMUJFWSA-N 1 0 326.356 2.251 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411616102 466855933 /nfs/dbraw/zinc/85/59/33/466855933.db2.gz JGBPCYDJKHYJAU-ZDUSSCGKSA-N 1 0 333.388 2.349 20 5 EEBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000411717704 466885915 /nfs/dbraw/zinc/88/59/15/466885915.db2.gz IDURKUDADCFQJW-OAHLLOKOSA-N 1 0 346.391 2.039 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000411966421 466950573 /nfs/dbraw/zinc/95/05/73/466950573.db2.gz LKNAGUIVFWTOKI-SFHVURJKSA-N 1 0 343.358 2.363 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424051296 466964455 /nfs/dbraw/zinc/96/44/55/466964455.db2.gz IYZPHMHEYANUAW-GFCCVEGCSA-N 1 0 335.429 2.430 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412053252 466984318 /nfs/dbraw/zinc/98/43/18/466984318.db2.gz ZERSDDOJXUJPLU-RQJABVFESA-N 1 0 333.388 2.015 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418056245 467035342 /nfs/dbraw/zinc/03/53/42/467035342.db2.gz CFBUTFKDLGFGQD-LSDHHAIUSA-N 1 0 332.404 2.091 20 5 EEBDRO CC(C)OCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413179139 467185166 /nfs/dbraw/zinc/18/51/66/467185166.db2.gz HZYVCUBUGCTYPS-UHFFFAOYSA-N 1 0 326.372 2.430 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451082836 467243166 /nfs/dbraw/zinc/24/31/66/467243166.db2.gz GYDBPAWZUUVJPP-CYBMUJFWSA-N 1 0 346.431 2.258 20 5 EEBDRO C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420258026 467331954 /nfs/dbraw/zinc/33/19/54/467331954.db2.gz JMGFYFUNMZZQAW-RISCZKNCSA-N 1 0 332.404 2.051 20 5 EEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429514069 467342174 /nfs/dbraw/zinc/34/21/74/467342174.db2.gz XXOYOWMNHSGZLG-ZDUSSCGKSA-N 1 0 342.399 2.367 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000429510225 467342344 /nfs/dbraw/zinc/34/23/44/467342344.db2.gz LXDSYEOKKNLZLA-JTQLQIEISA-N 1 0 331.376 2.220 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420355092 467375446 /nfs/dbraw/zinc/37/54/46/467375446.db2.gz BQAKTULWPPVYAB-RKOGSIPDSA-N 1 0 334.420 2.206 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000391660568 467421447 /nfs/dbraw/zinc/42/14/47/467421447.db2.gz KCOJJTYYKCQYRT-ZFWWWQNUSA-N 1 0 332.404 2.193 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420627674 467437657 /nfs/dbraw/zinc/43/76/57/467437657.db2.gz OGAKSIMNDGBBRF-UHFFFAOYSA-N 1 0 340.383 2.014 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414928303 467452057 /nfs/dbraw/zinc/45/20/57/467452057.db2.gz APXYKFHKFYOUNR-IUCAKERBSA-N 1 0 344.318 2.397 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000453267277 467474326 /nfs/dbraw/zinc/47/43/26/467474326.db2.gz PCFDERVOOUTPOD-MSOLQXFVSA-N 1 0 347.459 2.352 20 5 EEBDRO O=C(CNc1c(F)cccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431496342 467520626 /nfs/dbraw/zinc/52/06/26/467520626.db2.gz MXBIGZQAAGKBNO-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448906862 467605174 /nfs/dbraw/zinc/60/51/74/467605174.db2.gz BWTYWLLYMDKDIB-UHFFFAOYSA-N 1 0 335.404 2.358 20 5 EEBDRO CNc1nc(C(=O)NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000454743229 467613339 /nfs/dbraw/zinc/61/33/39/467613339.db2.gz DKEKRWWUZUUNGY-UHFFFAOYSA-N 1 0 349.435 2.273 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457954392 467739114 /nfs/dbraw/zinc/73/91/14/467739114.db2.gz NVGPRWPZWCFRNP-INIZCTEOSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450109060 467778568 /nfs/dbraw/zinc/77/85/68/467778568.db2.gz ZUFBIWNBOOVVOO-MLGOLLRUSA-N 1 0 345.399 2.157 20 5 EEBDRO CC(C)[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000450245964 467808352 /nfs/dbraw/zinc/80/83/52/467808352.db2.gz SPBRYAKEGZCQGB-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450331003 467828933 /nfs/dbraw/zinc/82/89/33/467828933.db2.gz UTJCJTGVSLWKJZ-MRXNPFEDSA-N 1 0 344.415 2.648 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487225031 468029414 /nfs/dbraw/zinc/02/94/14/468029414.db2.gz VXMLCWGKIYGDCE-GWCFXTLKSA-N 1 0 325.796 2.105 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532240656 468104803 /nfs/dbraw/zinc/10/48/03/468104803.db2.gz VEOLJJYAJDOANE-ZIAGYGMSSA-N 1 0 334.420 2.243 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000567674310 468180202 /nfs/dbraw/zinc/18/02/02/468180202.db2.gz ILQSRNVABBJUDM-AGIUHOORSA-N 1 0 335.404 2.439 20 5 EEBDRO Cc1c(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763485 468517357 /nfs/dbraw/zinc/51/73/57/468517357.db2.gz LNGBZIRQAMVGOT-SFHVURJKSA-N 1 0 343.427 2.486 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000591764410 468517633 /nfs/dbraw/zinc/51/76/33/468517633.db2.gz NGVZWROUNZTDDE-FRFSOERESA-N 1 0 348.378 2.217 20 5 EEBDRO CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591994197 468593067 /nfs/dbraw/zinc/59/30/67/468593067.db2.gz FATGIRZBYHISNS-INIZCTEOSA-N 1 0 334.420 2.263 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594494426 468608228 /nfs/dbraw/zinc/60/82/28/468608228.db2.gz FYOBDIADNSGZON-KRWDZBQOSA-N 1 0 349.431 2.336 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC12CCC[NH+]1CCC2 ZINC000597588992 468609802 /nfs/dbraw/zinc/60/98/02/468609802.db2.gz RWZOWKDBEUFJTI-UHFFFAOYSA-N 1 0 345.399 2.302 20 5 EEBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000594522749 468615208 /nfs/dbraw/zinc/61/52/08/468615208.db2.gz SEBOLRSMMXNZNT-CABCVRRESA-N 1 0 341.415 2.192 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000594596541 468630760 /nfs/dbraw/zinc/63/07/60/468630760.db2.gz ANQLUUJNPQVLLZ-WCQYABFASA-N 1 0 334.376 2.205 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1-n1ccnc1 ZINC000592356300 468682522 /nfs/dbraw/zinc/68/25/22/468682522.db2.gz KSVILYICOAIHRV-NSHDSACASA-N 1 0 326.316 2.255 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594801417 468691804 /nfs/dbraw/zinc/69/18/04/468691804.db2.gz NRUKAKYXXAMVTC-LBPRGKRZSA-N 1 0 341.433 2.054 20 5 EEBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000592435375 468697901 /nfs/dbraw/zinc/69/79/01/468697901.db2.gz VPJKDAOOIAJJAU-INIZCTEOSA-N 1 0 335.404 2.055 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597925007 468712296 /nfs/dbraw/zinc/71/22/96/468712296.db2.gz MDKVGEGPXWPMKB-ZDUSSCGKSA-N 1 0 335.404 2.353 20 5 EEBDRO CCC[N@@H+]1CC[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097585 468758224 /nfs/dbraw/zinc/75/82/24/468758224.db2.gz YALXYQOTNSFSEV-RDJZCZTQSA-N 1 0 343.431 2.492 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595222815 468787999 /nfs/dbraw/zinc/78/79/99/468787999.db2.gz YGYXUNMIIJVLDN-HNNXBMFYSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1sc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595346901 468819730 /nfs/dbraw/zinc/81/97/30/468819730.db2.gz XVNIDNJHHDJXDP-NSHDSACASA-N 1 0 347.462 2.070 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000598342569 468836608 /nfs/dbraw/zinc/83/66/08/468836608.db2.gz KZQJXNUJEWAFPT-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593093283 468867662 /nfs/dbraw/zinc/86/76/62/468867662.db2.gz SNQTYHPQMMVTQN-ZDUSSCGKSA-N 1 0 338.408 2.378 20 5 EEBDRO Nc1c(C(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000598543182 468908087 /nfs/dbraw/zinc/90/80/87/468908087.db2.gz SFQUXMBXDWPSLN-UHFFFAOYSA-N 1 0 332.404 2.029 20 5 EEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000598669704 468952946 /nfs/dbraw/zinc/95/29/46/468952946.db2.gz NLQFNNYTHVIDRJ-CXAGYDPISA-N 1 0 332.404 2.127 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595695890 468958846 /nfs/dbraw/zinc/95/88/46/468958846.db2.gz IYIUCQOSSXQCQS-LRDDRELGSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595698624 468959321 /nfs/dbraw/zinc/95/93/21/468959321.db2.gz NGVOXNIUTXOCMR-DZGCQCFKSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000610476231 468978892 /nfs/dbraw/zinc/97/88/92/468978892.db2.gz JVQKANCYSYMWQP-INIZCTEOSA-N 1 0 337.395 2.421 20 5 EEBDRO O=C1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1 ZINC000602639405 468982937 /nfs/dbraw/zinc/98/29/37/468982937.db2.gz ICIDUOMCBGSSFL-NSHDSACASA-N 1 0 331.294 2.372 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000610515203 468990635 /nfs/dbraw/zinc/99/06/35/468990635.db2.gz BGOSONPUCRNHNE-HOCLYGCPSA-N 1 0 335.404 2.029 20 5 EEBDRO C[C@H]1COCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602657132 468992339 /nfs/dbraw/zinc/99/23/39/468992339.db2.gz XIQBQSBKTKXZOM-KBPBESRZSA-N 1 0 334.420 2.221 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610582605 469009533 /nfs/dbraw/zinc/00/95/33/469009533.db2.gz CTDFTLUQJQEPQJ-INIZCTEOSA-N 1 0 326.360 2.019 20 5 EEBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(C)C ZINC000602689481 469013436 /nfs/dbraw/zinc/01/34/36/469013436.db2.gz HVJUEKBHDUYNJA-RDJZCZTQSA-N 1 0 336.436 2.344 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC000595806726 469020191 /nfs/dbraw/zinc/02/01/91/469020191.db2.gz FPBWACHBYKZXHO-UHFFFAOYSA-N 1 0 349.431 2.018 20 5 EEBDRO NC(=O)CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602700757 469020810 /nfs/dbraw/zinc/02/08/10/469020810.db2.gz WYDMSDBFCJGHSU-UHFFFAOYSA-N 1 0 331.294 2.359 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000614780419 469051130 /nfs/dbraw/zinc/05/11/30/469051130.db2.gz PMDXNSFPTLERLJ-SJKOYZFVSA-N 1 0 347.415 2.007 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000595873537 469056939 /nfs/dbraw/zinc/05/69/39/469056939.db2.gz COOYEHOMMZBQEQ-UHFFFAOYSA-N 1 0 336.388 2.495 20 5 EEBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)S(C)(=O)=O ZINC000573111402 469064598 /nfs/dbraw/zinc/06/45/98/469064598.db2.gz CQZQXFWOSXWOIA-MRVPVSSYSA-N 1 0 340.323 2.136 20 5 EEBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783298 469070248 /nfs/dbraw/zinc/07/02/48/469070248.db2.gz JCIBHBVCWZURQV-AEFFLSMTSA-N 1 0 344.415 2.408 20 5 EEBDRO C[N@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599155995 469141370 /nfs/dbraw/zinc/14/13/70/469141370.db2.gz FOBZPWKRNQBHQT-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000611091811 469160431 /nfs/dbraw/zinc/16/04/31/469160431.db2.gz TVIVJVQHQXKBLA-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000611257193 469212054 /nfs/dbraw/zinc/21/20/54/469212054.db2.gz BQMPMPAKQBHBAI-CYBMUJFWSA-N 1 0 335.404 2.140 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602144786 469213672 /nfs/dbraw/zinc/21/36/72/469213672.db2.gz POHLNXLNPGAXMI-ZDUSSCGKSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@H](CC1CCC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611335865 469230134 /nfs/dbraw/zinc/23/01/34/469230134.db2.gz DNAUKNYQFVTFSH-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587015 469301329 /nfs/dbraw/zinc/30/13/29/469301329.db2.gz KGUPLAHXGTXUDU-QWHCGFSZSA-N 1 0 338.408 2.091 20 5 EEBDRO COc1ccc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611825119 469330097 /nfs/dbraw/zinc/33/00/97/469330097.db2.gz KCODYEPTHBFRCE-LLVKDONJSA-N 1 0 336.392 2.455 20 5 EEBDRO O=C(Cc1cccc(F)c1)NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602501821 469340711 /nfs/dbraw/zinc/34/07/11/469340711.db2.gz TZHCKLSXCFYIJE-UHFFFAOYSA-N 1 0 345.374 2.225 20 5 EEBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547003 469356302 /nfs/dbraw/zinc/35/63/02/469356302.db2.gz WDLLUHBUFPHGLJ-CXAGYDPISA-N 1 0 336.436 2.345 20 5 EEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602583952 469371911 /nfs/dbraw/zinc/37/19/11/469371911.db2.gz WGUCACDXXPFPAL-CZUORRHYSA-N 1 0 334.420 2.363 20 5 EEBDRO Cc1cc(OCC(=O)Nc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000619537557 469633982 /nfs/dbraw/zinc/63/39/82/469633982.db2.gz AFIRWHQRTKZVTE-UHFFFAOYSA-N 1 0 330.344 2.382 20 5 EEBDRO COc1cc(C[N@H+](C)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000609895007 469969762 /nfs/dbraw/zinc/96/97/62/469969762.db2.gz YWSXDHIEXLIFCC-UHFFFAOYSA-N 1 0 334.319 2.408 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610069420 469978322 /nfs/dbraw/zinc/97/83/22/469978322.db2.gz IHCKYVVEADHGJU-CYBMUJFWSA-N 1 0 332.404 2.194 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418001495 517920157 /nfs/dbraw/zinc/92/01/57/517920157.db2.gz XUKSOACGGVAYFD-UHFFFAOYSA-N 1 0 342.827 2.417 20 5 EEBDRO COc1cccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000452168703 537082094 /nfs/dbraw/zinc/08/20/94/537082094.db2.gz DPECRNPNVMZDBR-LBPRGKRZSA-N 1 0 333.388 2.160 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209879 577086168 /nfs/dbraw/zinc/08/61/68/577086168.db2.gz BRNXVRARIAVERS-UHFFFAOYSA-N 1 0 336.417 2.097 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000776274971 577456272 /nfs/dbraw/zinc/45/62/72/577456272.db2.gz FACKDRBWIZOTEO-HNNXBMFYSA-N 1 0 346.339 2.026 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000776275741 577456420 /nfs/dbraw/zinc/45/64/20/577456420.db2.gz KWMMUIQPLIBEIE-JKSUJKDBSA-N 1 0 344.367 2.400 20 5 EEBDRO CC1(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000776590059 577463556 /nfs/dbraw/zinc/46/35/56/577463556.db2.gz ASTSGDZPRNZIIK-MRXNPFEDSA-N 1 0 336.388 2.103 20 5 EEBDRO CC(=O)NCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000764914563 577490785 /nfs/dbraw/zinc/49/07/85/577490785.db2.gz PNEXDGFATXQQQG-UHFFFAOYSA-N 1 0 345.403 2.059 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C ZINC000766557176 577521544 /nfs/dbraw/zinc/52/15/44/577521544.db2.gz SZLBFHAQHNSPHZ-OLZOCXBDSA-N 1 0 334.420 2.216 20 5 EEBDRO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000759696285 577648000 /nfs/dbraw/zinc/64/80/00/577648000.db2.gz GIQMKPNMDZYQOR-RYUDHWBXSA-N 1 0 349.391 2.432 20 5 EEBDRO COc1ccc(OC)c(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749693020 577980111 /nfs/dbraw/zinc/98/01/11/577980111.db2.gz VMLCEHRMJQDLRX-KRWDZBQOSA-N 1 0 346.383 2.478 20 5 EEBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000750305013 577990151 /nfs/dbraw/zinc/99/01/51/577990151.db2.gz AFEQJIQCXQESEK-INIZCTEOSA-N 1 0 346.383 2.478 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCCCO)CC1 ZINC000741748450 578123455 /nfs/dbraw/zinc/12/34/55/578123455.db2.gz JGFLSZJALZKVCR-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000742074344 578127100 /nfs/dbraw/zinc/12/71/00/578127100.db2.gz IJYSRXQTXMFPGU-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001021982282 676570903 /nfs/dbraw/zinc/57/09/03/676570903.db2.gz ZLPNMRFUZGPXFM-GASCZTMLSA-N 1 0 343.383 2.476 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000891409586 676572851 /nfs/dbraw/zinc/57/28/51/676572851.db2.gz HXTHDFJVAHXERD-CQSZACIVSA-N 1 0 334.420 2.215 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891667371 676762829 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RAGAMYTYFGIFNH-LMKPVCQUSA-N 1 0 337.807 2.438 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(C(F)(F)F)c1 ZINC000811824081 1200356084 /nfs/dbraw/zinc/35/60/84/1200356084.db2.gz HBGSTJHSXSRVSH-UHFFFAOYSA-N 1 0 333.310 2.164 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001133193577 1200577685 /nfs/dbraw/zinc/57/76/85/1200577685.db2.gz WMZUCYXYVWCHFI-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879529764 1201126274 /nfs/dbraw/zinc/12/62/74/1201126274.db2.gz FHJLTRYSUJOFNL-OKILXGFUSA-N 1 0 336.413 2.267 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879962454 1201326428 /nfs/dbraw/zinc/32/64/28/1201326428.db2.gz NGDHAKWIUBRONK-XJKSGUPXSA-N 1 0 347.415 2.183 20 5 EEBDRO COC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000880041116 1201360566 /nfs/dbraw/zinc/36/05/66/1201360566.db2.gz HAAGDRHUEWVODF-CJNGLKHVSA-N 1 0 336.388 2.293 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000866054424 1201416050 /nfs/dbraw/zinc/41/60/50/1201416050.db2.gz BDDUUJZLXLLLTE-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000866058977 1201417546 /nfs/dbraw/zinc/41/75/46/1201417546.db2.gz ISICWHGWMWGEQM-NSHDSACASA-N 1 0 325.384 2.369 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880209655 1201422875 /nfs/dbraw/zinc/42/28/75/1201422875.db2.gz WYHWDULJJQTQOU-KRWDZBQOSA-N 1 0 333.432 2.370 20 5 EEBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])ncn3C)cc2F)CC1 ZINC000866261610 1201479116 /nfs/dbraw/zinc/47/91/16/1201479116.db2.gz XQBJJMYXGJWKHK-UHFFFAOYSA-N 1 0 348.382 2.353 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000866336285 1201495621 /nfs/dbraw/zinc/49/56/21/1201495621.db2.gz PDLMXLWZHYQWPF-RISCZKNCSA-N 1 0 344.408 2.222 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000866364870 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KQKMODWTFURHIB-ZDTYVGOBSA-N 1 0 327.388 2.210 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)[C@@H](F)CC3)CC2)cc1 ZINC001254474097 1318083386 /nfs/dbraw/zinc/08/33/86/1318083386.db2.gz LSMPZDUVYSHBFS-DLBZAZTESA-N 1 0 337.395 2.358 20 5 EEBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254482658 1318084635 /nfs/dbraw/zinc/08/46/35/1318084635.db2.gz LICQNQVPQSQVLJ-KRWDZBQOSA-N 1 0 346.431 2.164 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1N1CCOCC1 ZINC001254548231 1318118632 /nfs/dbraw/zinc/11/86/32/1318118632.db2.gz LRMGJBKIEADDEO-QGPMSJSTSA-N 1 0 333.432 2.369 20 5 EEBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254565633 1318122227 /nfs/dbraw/zinc/12/22/27/1318122227.db2.gz FBLBCAYXIYPUTL-CYBMUJFWSA-N 1 0 333.388 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3ccncn3)CC1)C2 ZINC001254586136 1318133848 /nfs/dbraw/zinc/13/38/48/1318133848.db2.gz HSMUDOUKMKAKGG-MRXNPFEDSA-N 1 0 339.399 2.111 20 5 EEBDRO CN(C)/C=C/c1cc(-n2nc(C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001156860258 1318247920 /nfs/dbraw/zinc/24/79/20/1318247920.db2.gz DDCFHDDINZGSBA-BQYQJAHWSA-N 1 0 338.371 2.320 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001256085569 1318643396 /nfs/dbraw/zinc/64/33/96/1318643396.db2.gz QLYODHMHGCYKNX-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CCC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256088737 1318644156 /nfs/dbraw/zinc/64/41/56/1318644156.db2.gz ZXVUHDUTIUHCCG-GOEBONIOSA-N 1 0 349.431 2.465 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256086930 1318644655 /nfs/dbraw/zinc/64/46/55/1318644655.db2.gz IUEWYXLSBWDNPT-CYBMUJFWSA-N 1 0 335.404 2.198 20 5 EEBDRO CC[N@H+](C1COC1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100972 1318647170 /nfs/dbraw/zinc/64/71/70/1318647170.db2.gz WRHJYSWSILNFAK-UHFFFAOYSA-N 1 0 335.404 2.293 20 5 EEBDRO COC(=O)c1ccnc(N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001157746146 1318830004 /nfs/dbraw/zinc/83/00/04/1318830004.db2.gz MSWCDVASUILVEP-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767517 1318847754 /nfs/dbraw/zinc/84/77/54/1318847754.db2.gz PRLTUWAZALREOR-DGCLKSJQSA-N 1 0 346.214 2.255 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])cc2C1 ZINC001157979835 1318957386 /nfs/dbraw/zinc/95/73/86/1318957386.db2.gz KKNUJZCAELNXBZ-SECBINFHSA-N 1 0 344.762 2.193 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001158650212 1319354615 /nfs/dbraw/zinc/35/46/15/1319354615.db2.gz YDYMKQOUEKBSFX-UHFFFAOYSA-N 1 0 334.767 2.285 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC[NH2+]C4(CC4)C3)nn2)cc1[N+](=O)[O-] ZINC001158938142 1319519288 /nfs/dbraw/zinc/51/92/88/1319519288.db2.gz QATFEDUGHXAFPM-UHFFFAOYSA-N 1 0 325.372 2.302 20 5 EEBDRO CCc1cccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001160041793 1320054964 /nfs/dbraw/zinc/05/49/64/1320054964.db2.gz MFJHSLIQBMYOJZ-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001160338376 1320139134 /nfs/dbraw/zinc/13/91/34/1320139134.db2.gz ZMGKKPYUHMGNDW-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)cnc2c1 ZINC001160736889 1320253620 /nfs/dbraw/zinc/25/36/20/1320253620.db2.gz NPYHDBRAGYIBCT-NXEZZACHSA-N 1 0 341.293 2.490 20 5 EEBDRO CC(C)(CC1CCC1)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161847047 1320645043 /nfs/dbraw/zinc/64/50/43/1320645043.db2.gz RSMALEHYYGRSBF-UHFFFAOYSA-N 1 0 334.424 2.175 20 5 EEBDRO Cc1nc(NCC2(c3cccnc3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001162033168 1320727269 /nfs/dbraw/zinc/72/72/69/1320727269.db2.gz KQQNQAQECXVNEN-UHFFFAOYSA-N 1 0 327.388 2.427 20 5 EEBDRO CN1CCO[C@H](CNc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162687413 1320930657 /nfs/dbraw/zinc/93/06/57/1320930657.db2.gz BGEGLAXKZYLYBG-SNVBAGLBSA-N 1 0 335.282 2.236 20 5 EEBDRO COC(=O)[C@@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162942043 1320992206 /nfs/dbraw/zinc/99/22/06/1320992206.db2.gz HQTAZXHVQKZPKF-CQSZACIVSA-N 1 0 344.371 2.348 20 5 EEBDRO CC(C)n1cnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001163267750 1321082432 /nfs/dbraw/zinc/08/24/32/1321082432.db2.gz JYCSLVHMVWPOMD-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCO[C@@]3(CC[NH2+]C3)C1)CCCC2 ZINC001163308906 1321093720 /nfs/dbraw/zinc/09/37/20/1321093720.db2.gz FPQKCVHQFGJWIS-GUYCJALGSA-N 1 0 332.404 2.192 20 5 EEBDRO CCOCCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163777235 1321215042 /nfs/dbraw/zinc/21/50/42/1321215042.db2.gz HGOZYWDZKDSPLH-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1cnc(N2CCC[N@H+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC001163824227 1321226436 /nfs/dbraw/zinc/22/64/36/1321226436.db2.gz ROKPQRDOZOBWHI-UHFFFAOYSA-N 1 0 327.388 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(-n3cnc4c3C[NH2+]CC4)c2c1 ZINC001164313845 1321348184 /nfs/dbraw/zinc/34/81/84/1321348184.db2.gz UPQIKOSRJSUZAN-UHFFFAOYSA-N 1 0 330.735 2.023 20 5 EEBDRO O=C(NCCC1(C[NH2+]CCC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494802 1321395800 /nfs/dbraw/zinc/39/58/00/1321395800.db2.gz STCHVPDGUOXVRH-HZPDHXFCSA-N 1 0 335.448 2.418 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001164516319 1321404407 /nfs/dbraw/zinc/40/44/07/1321404407.db2.gz AADYJIPZUPYTHE-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO COc1cnc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001164607620 1321432835 /nfs/dbraw/zinc/43/28/35/1321432835.db2.gz HAGSQOYMISZMKI-AWEZNQCLSA-N 1 0 328.372 2.019 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165091024 1321452961 /nfs/dbraw/zinc/45/29/61/1321452961.db2.gz YJBZDEDMZBHMDS-YOEHRIQHSA-N 1 0 339.399 2.283 20 5 EEBDRO Cc1cc(-n2c(=N)sc3c2CC[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001166860451 1321803589 /nfs/dbraw/zinc/80/35/89/1321803589.db2.gz XPMCSKCNHGKOGN-UHFFFAOYSA-N 1 0 341.396 2.429 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001261903257 1322196102 /nfs/dbraw/zinc/19/61/02/1322196102.db2.gz ROBOXPBLHPLQNF-CQSZACIVSA-N 1 0 329.404 2.314 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001262652240 1322338266 /nfs/dbraw/zinc/33/82/66/1322338266.db2.gz ARMVCJLMYSVGST-CYBMUJFWSA-N 1 0 327.331 2.287 20 5 EEBDRO C[N@H+](CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)C1CCC1 ZINC001306866438 1331493059 /nfs/dbraw/zinc/49/30/59/1331493059.db2.gz YZLUAPOBMNEJJS-UHFFFAOYSA-N 1 0 329.360 2.408 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ncco2)CC1 ZINC001307991489 1331558166 /nfs/dbraw/zinc/55/81/66/1331558166.db2.gz ZVYABYRDSIBCOR-AWEZNQCLSA-N 1 0 347.371 2.202 20 5 EEBDRO COc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001319989810 1332806924 /nfs/dbraw/zinc/80/69/24/1332806924.db2.gz INPMHJUNXUOUAH-UHFFFAOYSA-N 1 0 340.339 2.490 20 5 EEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC001609111129 1351847410 /nfs/dbraw/zinc/84/74/10/1351847410.db2.gz IRAVDXSMQFHIJR-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001324418385 1333678250 /nfs/dbraw/zinc/67/82/50/1333678250.db2.gz VIMDOKCVVMNNAR-GXTWGEPZSA-N 1 0 341.433 2.283 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC1CC[NH+](C2CCC2)CC1 ZINC001609601066 1352031062 /nfs/dbraw/zinc/03/10/62/1352031062.db2.gz PHZRQZBSFZYKDN-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO Cc1cccnc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724198 1336585711 /nfs/dbraw/zinc/58/57/11/1336585711.db2.gz ZXIAOMBNPHTDGN-KBPBESRZSA-N 1 0 331.372 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)COc2ccccc2F)cc1 ZINC001346122331 1337479788 /nfs/dbraw/zinc/47/97/88/1337479788.db2.gz GMRRTIPNTZKFNE-HNNXBMFYSA-N 1 0 349.362 2.175 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001100155461 1338082573 /nfs/dbraw/zinc/08/25/73/1338082573.db2.gz LVHSTRKCTPCSON-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CCN(CCNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1[N+](=O)[O-] ZINC001100645784 1338592929 /nfs/dbraw/zinc/59/29/29/1338592929.db2.gz GCCYQDPQKZZUEE-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001357204878 1338971180 /nfs/dbraw/zinc/97/11/80/1338971180.db2.gz QLCBMENWKHVXOE-JJRVBVJISA-N 1 0 347.415 2.388 20 5 EEBDRO C[C@@H]1[NH2+]CCn2c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC001576893371 1344072455 /nfs/dbraw/zinc/07/24/55/1344072455.db2.gz HWZPFVSSBFTVCI-ZDUSSCGKSA-N 1 0 342.399 2.375 20 5 EEBDRO CCOc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC001578163209 1344242913 /nfs/dbraw/zinc/24/29/13/1344242913.db2.gz CFAOTJXUQYNUAL-XYPYZODXSA-N 1 0 337.376 2.002 20 5 EEBDRO COc1c(O)ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001579136641 1344341868 /nfs/dbraw/zinc/34/18/68/1344341868.db2.gz PFXNKFOBVWJKJZ-OAHLLOKOSA-N 1 0 343.383 2.456 20 5 EEBDRO CC(C)C[C@@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001589555393 1349004064 /nfs/dbraw/zinc/00/40/64/1349004064.db2.gz AWYKVZNUUPPORB-LBPRGKRZSA-N 1 0 333.396 2.163 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589714198 1349023240 /nfs/dbraw/zinc/02/32/40/1349023240.db2.gz FFCJMDHCGWJVCO-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001590470463 1349344027 /nfs/dbraw/zinc/34/40/27/1349344027.db2.gz QIJFDWUAZLBBJD-CQSZACIVSA-N 1 0 346.391 2.070 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590731776 1349393326 /nfs/dbraw/zinc/39/33/26/1349393326.db2.gz BCLMNZUPIAYYAN-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591066859 1349437647 /nfs/dbraw/zinc/43/76/47/1349437647.db2.gz IQJMMBJDWMSPHP-UHFFFAOYSA-N 1 0 346.391 2.023 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC1CC([NH+]2CCCCC2)C1 ZINC001593474395 1349807689 /nfs/dbraw/zinc/80/76/89/1349807689.db2.gz HKCXVYQFMZKDAN-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO C[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603895463 1350797106 /nfs/dbraw/zinc/79/71/06/1350797106.db2.gz LJGLFLDLPRASQV-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1F ZINC000852285162 1369257636 /nfs/dbraw/zinc/25/76/36/1369257636.db2.gz UARGUONEWZLDMJ-INIZCTEOSA-N 1 0 338.379 2.391 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861036357 1369485057 /nfs/dbraw/zinc/48/50/57/1369485057.db2.gz LPZGMTDPLIIZJW-CJNGLKHVSA-N 1 0 336.388 2.352 20 5 EEBDRO O=C(/C=C/[C@@H]1CCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835458016 1372626148 /nfs/dbraw/zinc/62/61/48/1372626148.db2.gz NDYZWMHLGIGZFE-ROHVMALMSA-N 1 0 346.383 2.305 20 5 EEBDRO CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CC1 ZINC001752844885 1406480191 /nfs/dbraw/zinc/48/01/91/1406480191.db2.gz AJXMYVONSACWBY-QLPKVWCKSA-N 1 0 329.400 2.331 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001576208063 1403563088 /nfs/dbraw/zinc/56/30/88/1403563088.db2.gz SJAFWIVERPZDLA-XXILOJSOSA-N 1 0 346.309 2.187 20 5 EEBDRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001580248234 1403853401 /nfs/dbraw/zinc/85/34/01/1403853401.db2.gz VFTKETFSAIZXKW-UHFFFAOYSA-N 1 0 338.795 2.414 20 5 EEBDRO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605700277 1404750155 /nfs/dbraw/zinc/75/01/55/1404750155.db2.gz VHMCXPUBGIEFCR-UHFFFAOYSA-N 1 0 337.343 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2OCCC[C@H]2C1 ZINC000246565543 1405715323 /nfs/dbraw/zinc/71/53/23/1405715323.db2.gz HMMANHFWVDSXGX-XJKSGUPXSA-N 1 0 333.388 2.343 20 5 EEBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000165885750 1405717454 /nfs/dbraw/zinc/71/74/54/1405717454.db2.gz UQEYPJLGJKZDRG-LLVKDONJSA-N 1 0 342.193 2.181 20 5 EEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001164814877 720073188 /nfs/dbraw/zinc/07/31/88/720073188.db2.gz XSOOBBKEGVYATF-CRAIPNDOSA-N 1 0 346.431 2.175 20 5 EEBDRO COc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001167069957 757127283 /nfs/dbraw/zinc/12/72/83/757127283.db2.gz FCSHKKMZJKACPG-UHFFFAOYSA-N 1 0 341.371 2.166 20 5 EEBDRO Cc1cnc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1[N+](=O)[O-] ZINC001167374600 758180738 /nfs/dbraw/zinc/18/07/38/758180738.db2.gz NBBSYRURNIIEHT-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846689844 790410389 /nfs/dbraw/zinc/41/03/89/790410389.db2.gz WUQUENSEXHMCEA-ZBEGNZNMSA-N 1 0 348.359 2.012 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167898648 779468998 /nfs/dbraw/zinc/46/89/98/779468998.db2.gz BRGIUQZYOIYKKT-SNVBAGLBSA-N 1 0 335.282 2.306 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CCCCC1)C2 ZINC000982278995 779504428 /nfs/dbraw/zinc/50/44/28/779504428.db2.gz WRIRMSNPNLBXAT-RWQQGDIJSA-N 1 0 349.475 2.402 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000893938144 780320273 /nfs/dbraw/zinc/32/02/73/780320273.db2.gz BSBWYUOBKAWLJJ-TVQRCGJNSA-N 1 0 326.194 2.498 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000843755540 781348680 /nfs/dbraw/zinc/34/86/80/781348680.db2.gz MVNSUKJGZBFQOG-UHFFFAOYSA-N 1 0 344.346 2.400 20 5 EEBDRO Cc1cccc([C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000905903575 783560772 /nfs/dbraw/zinc/56/07/72/783560772.db2.gz HURQOORSTIJEHR-QGZVFWFLSA-N 1 0 342.399 2.154 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1[nH]ccc1C1CC1 ZINC001129083103 783986405 /nfs/dbraw/zinc/98/64/05/783986405.db2.gz WETDEXFPLKPCIC-UHFFFAOYSA-N 1 0 334.401 2.381 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817906898 785061444 /nfs/dbraw/zinc/06/14/44/785061444.db2.gz GIYHTDPKIPSNEX-NUEKZKHPSA-N 1 0 339.823 2.495 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817907123 785062046 /nfs/dbraw/zinc/06/20/46/785062046.db2.gz KFLIPCKYFNUCOQ-HUUCEWRRSA-N 1 0 325.796 2.105 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000818553999 785289767 /nfs/dbraw/zinc/28/97/67/785289767.db2.gz FRJIEUKFVYVMJK-DTORHVGOSA-N 1 0 329.759 2.139 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818594601 785317227 /nfs/dbraw/zinc/31/72/27/785317227.db2.gz SJLPZHNLQHCLAQ-CQSZACIVSA-N 1 0 329.759 2.127 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819140017 785419054 /nfs/dbraw/zinc/41/90/54/785419054.db2.gz QWUQWMKWPZZOQM-SUMZGMNUSA-N 1 0 340.445 2.298 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819164886 785440982 /nfs/dbraw/zinc/44/09/82/785440982.db2.gz XFESPWKTPMOUPG-DOTOQJQBSA-N 1 0 347.415 2.009 20 5 EEBDRO Cc1nc(NCCCN(C)C(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001109547881 805650727 /nfs/dbraw/zinc/65/07/27/805650727.db2.gz ZTKZDIHQHQPKAT-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911876059 787787393 /nfs/dbraw/zinc/78/73/93/787787393.db2.gz WJRYFOHAICMZJA-IRXDYDNUSA-N 1 0 347.415 2.055 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671717 787864447 /nfs/dbraw/zinc/86/44/47/787864447.db2.gz UGYWQVFMJGOQRL-IAGOWNOFSA-N 1 0 343.383 2.047 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939438 787994210 /nfs/dbraw/zinc/99/42/10/787994210.db2.gz UIKIPDQXOIAADV-FZMZJTMJSA-N 1 0 333.392 2.268 20 5 EEBDRO Nc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000824003340 787997526 /nfs/dbraw/zinc/99/75/26/787997526.db2.gz XXHPQDROIHQDFX-ZDUSSCGKSA-N 1 0 333.392 2.269 20 5 EEBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000823997748 788012271 /nfs/dbraw/zinc/01/22/71/788012271.db2.gz GZNSJUHIAXNNID-GFCCVEGCSA-N 1 0 335.408 2.419 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000912586947 788248904 /nfs/dbraw/zinc/24/89/04/788248904.db2.gz BZDSYZLLFDWYMZ-UHFFFAOYSA-N 1 0 325.321 2.310 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912884780 788463084 /nfs/dbraw/zinc/46/30/84/788463084.db2.gz SMOIKVSETFDINR-UHFFFAOYSA-N 1 0 335.429 2.384 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000923353018 789431812 /nfs/dbraw/zinc/43/18/12/789431812.db2.gz YVMQXFVHMZMTSW-MSOLQXFVSA-N 1 0 345.374 2.414 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923442255 789568571 /nfs/dbraw/zinc/56/85/71/789568571.db2.gz MCTQCWBWDIHJLL-WOPDTQHZSA-N 1 0 331.376 2.216 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000845662000 789912652 /nfs/dbraw/zinc/91/26/52/789912652.db2.gz DIEIPTAZTZQURD-ZDUSSCGKSA-N 1 0 344.371 2.422 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001148504601 792500826 /nfs/dbraw/zinc/50/08/26/792500826.db2.gz ADEXKSLCELLBIY-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO Cc1nc(NCCNC(=O)CCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001093704602 795581260 /nfs/dbraw/zinc/58/12/60/795581260.db2.gz ZUETUIYGGGNCDF-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)CC[NH+]1CCCCC1 ZINC001094455413 796264706 /nfs/dbraw/zinc/26/47/06/796264706.db2.gz QOUOJXUPTMJYLW-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CCOCCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001127378879 796268068 /nfs/dbraw/zinc/26/80/68/796268068.db2.gz CNNFODGXUIBVHS-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094518689 796353039 /nfs/dbraw/zinc/35/30/39/796353039.db2.gz QBNWSDFMCQAMIP-UHFFFAOYSA-N 1 0 343.387 2.288 20 5 EEBDRO CC(C)(C(=O)NCCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001094700163 796540561 /nfs/dbraw/zinc/54/05/61/796540561.db2.gz FXMOJYSUYASJIT-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCN1CCOCC1)CC2 ZINC001172898278 797128632 /nfs/dbraw/zinc/12/86/32/797128632.db2.gz KCVGQDYTTTXRHM-KRWDZBQOSA-N 1 0 333.432 2.154 20 5 EEBDRO CC(=O)N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900705 797128994 /nfs/dbraw/zinc/12/89/94/797128994.db2.gz YLLHJKUVRDSPBS-MRXNPFEDSA-N 1 0 331.416 2.443 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173230682 797310892 /nfs/dbraw/zinc/31/08/92/797310892.db2.gz UHIGUGQODKOBIF-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925430283 797753127 /nfs/dbraw/zinc/75/31/27/797753127.db2.gz LITJFMGQWQTGJG-ZBFHGGJFSA-N 1 0 332.404 2.188 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000917107642 798091507 /nfs/dbraw/zinc/09/15/07/798091507.db2.gz JCIGTWCMQDQFTI-UHFFFAOYSA-N 1 0 336.344 2.009 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[C@@H]3CCC[NH2+]3)n2)c1 ZINC000843224034 799263450 /nfs/dbraw/zinc/26/34/50/799263450.db2.gz ZJRLQMIVKAWFKJ-LBPRGKRZSA-N 1 0 332.360 2.262 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000922325564 800581433 /nfs/dbraw/zinc/58/14/33/800581433.db2.gz GTQIQLHMFFDXIE-QGZVFWFLSA-N 1 0 349.431 2.353 20 5 EEBDRO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001086364304 802837557 /nfs/dbraw/zinc/83/75/57/802837557.db2.gz ZGKDGLOTZDQTME-NMFUWQPSSA-N 1 0 337.445 2.015 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168962424 803550932 /nfs/dbraw/zinc/55/09/32/803550932.db2.gz MOZLJFHGGCSRTK-QCQGSNGOSA-N 1 0 325.409 2.031 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967108 803552872 /nfs/dbraw/zinc/55/28/72/803552872.db2.gz NHLPRDOYXLOHGD-DYVFJYSZSA-N 1 0 349.406 2.465 20 5 EEBDRO COc1nc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168992921 803560671 /nfs/dbraw/zinc/56/06/71/803560671.db2.gz LKRLSIZUINUSCX-KOLCDFICSA-N 1 0 344.209 2.388 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001208 803566501 /nfs/dbraw/zinc/56/65/01/803566501.db2.gz DOMQYUPALAODLG-RFQIPJPRSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011089 803570690 /nfs/dbraw/zinc/57/06/90/803570690.db2.gz IGOTZMLFKBZOSL-RFGFWPKPSA-N 1 0 325.409 2.125 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013968 803571038 /nfs/dbraw/zinc/57/10/38/803571038.db2.gz WZQIQYRGXPDCHN-SYQHCUMBSA-N 1 0 325.409 2.125 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCCN1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988013 803572468 /nfs/dbraw/zinc/57/24/68/803572468.db2.gz MNVNBMJWJAZATD-ZNMIVQPWSA-N 1 0 341.452 2.175 20 5 EEBDRO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991323 803574316 /nfs/dbraw/zinc/57/43/16/803574316.db2.gz GHYIZQMJAXXNAB-ZFWWWQNUSA-N 1 0 349.406 2.465 20 5 EEBDRO O=C(Nc1ccccc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037968 803582076 /nfs/dbraw/zinc/58/20/76/803582076.db2.gz UMJPKUGKPVGJFS-HOCLYGCPSA-N 1 0 332.404 2.282 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ccccc2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001169024130 803589919 /nfs/dbraw/zinc/58/99/19/803589919.db2.gz QCNKAOWNYDBHQY-LULLPPNCSA-N 1 0 345.443 2.459 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)c1cccc(F)c1 ZINC001169054892 803597255 /nfs/dbraw/zinc/59/72/55/803597255.db2.gz OBTJKOWJCUKXEF-KBRIMQKVSA-N 1 0 349.406 2.465 20 5 EEBDRO CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)C[C@@](C)(C[NH3+])C1 ZINC001169137982 803630592 /nfs/dbraw/zinc/63/05/92/803630592.db2.gz NHRGGTLDDHSPDB-MGPLVRAMSA-N 1 0 335.408 2.044 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000787238167 807063123 /nfs/dbraw/zinc/06/31/23/807063123.db2.gz JZDSICWTDMGEIY-BLLLJJGKSA-N 1 0 344.371 2.299 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504354 807554644 /nfs/dbraw/zinc/55/46/44/807554644.db2.gz CJRFWQUAOWPHEW-TZMCWYRMSA-N 1 0 331.372 2.268 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170317733 809887968 /nfs/dbraw/zinc/88/79/68/809887968.db2.gz KLLDPWMVDUCNRE-LBPRGKRZSA-N 1 0 337.420 2.429 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001130919979 812201292 /nfs/dbraw/zinc/20/12/92/812201292.db2.gz FHIOSHKGDWBWMP-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170571568 812985523 /nfs/dbraw/zinc/98/55/23/812985523.db2.gz MYAHLPGNDSTFAQ-SKDRFNHKSA-N 1 0 329.784 2.354 20 5 EEBDRO COC(=O)c1ccnc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001515987495 1118992637 /nfs/dbraw/zinc/99/26/37/1118992637.db2.gz HVOWUOOHPUQUKF-GFCCVEGCSA-N 1 0 348.403 2.230 20 5 EEBDRO Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001517936456 1119048146 /nfs/dbraw/zinc/04/81/46/1119048146.db2.gz JEPIVDIZWKQIPC-AWEZNQCLSA-N 1 0 348.403 2.089 20 5 EEBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808788 282126709 /nfs/dbraw/zinc/12/67/09/282126709.db2.gz CITNYVGJKOYIFP-CZUORRHYSA-N 1 0 327.388 2.477 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189631249 529563423 /nfs/dbraw/zinc/56/34/23/529563423.db2.gz NYIGKTXOFRTGOW-INIZCTEOSA-N 1 0 332.360 2.382 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000338020243 282206235 /nfs/dbraw/zinc/20/62/35/282206235.db2.gz RHDMAOMNFFUNHL-CABCVRRESA-N 1 0 332.408 2.460 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772036 536798805 /nfs/dbraw/zinc/79/88/05/536798805.db2.gz RUCJHARQCLVMER-NILFDRSVSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187190420 282255657 /nfs/dbraw/zinc/25/56/57/282255657.db2.gz CLKHLCUTCRTZCL-SMDDNHRTSA-N 1 0 345.403 2.058 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183336262 235015091 /nfs/dbraw/zinc/01/50/91/235015091.db2.gz XSISIXYWLFFITN-BBRMVZONSA-N 1 0 337.420 2.423 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000069708454 202291279 /nfs/dbraw/zinc/29/12/79/202291279.db2.gz GSQIRWJHPFVBEY-GFCCVEGCSA-N 1 0 336.367 2.017 20 5 EEBDRO CN(C(=O)CN[C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000420378526 239794574 /nfs/dbraw/zinc/79/45/74/239794574.db2.gz XEEKWRAZGBJQEC-MRXNPFEDSA-N 1 0 334.420 2.055 20 5 EEBDRO Cc1[nH]nc2ncc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc12 ZINC000425977813 241191071 /nfs/dbraw/zinc/19/10/71/241191071.db2.gz WNWWBYQJIIHBHN-UHFFFAOYSA-N 1 0 341.375 2.208 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000425348330 241134333 /nfs/dbraw/zinc/13/43/33/241134333.db2.gz JDTWBIMVOYAZTH-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000426107781 241219465 /nfs/dbraw/zinc/21/94/65/241219465.db2.gz BIUVTHGEKQFTMC-LLVKDONJSA-N 1 0 331.294 2.095 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000426930819 241357421 /nfs/dbraw/zinc/35/74/21/241357421.db2.gz FFMLNKJYBHCERF-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO Cn1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102189 241375951 /nfs/dbraw/zinc/37/59/51/241375951.db2.gz FJBWWXPJZFPXPO-RHSMWYFYSA-N 1 0 341.415 2.179 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000445896403 242140512 /nfs/dbraw/zinc/14/05/12/242140512.db2.gz HZUSSOOEKUTQEK-SWLSCSKDSA-N 1 0 332.404 2.145 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCNc2ccccn2)n1 ZINC000447546809 242286506 /nfs/dbraw/zinc/28/65/06/242286506.db2.gz YZMUTTCRRWZNIB-ZIAGYGMSSA-N 1 0 330.392 2.372 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236721494 242333092 /nfs/dbraw/zinc/33/30/92/242333092.db2.gz YYNZLGJXRGSJJY-HNNXBMFYSA-N 1 0 345.403 2.039 20 5 EEBDRO CN(Cc1ccccn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451370139 243093036 /nfs/dbraw/zinc/09/30/36/243093036.db2.gz CKVFOUIJBRPDKD-INIZCTEOSA-N 1 0 326.356 2.227 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCN3CCCOCC3)C2)cc1 ZINC000451552719 243157432 /nfs/dbraw/zinc/15/74/32/243157432.db2.gz XGNPTOHZKQKNEQ-KRWDZBQOSA-N 1 0 333.432 2.497 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000246465768 243257727 /nfs/dbraw/zinc/25/77/27/243257727.db2.gz ZGPDHAXYMKNXBB-KBPBESRZSA-N 1 0 334.420 2.114 20 5 EEBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CO)CC(C)(C)C ZINC000451780282 243259062 /nfs/dbraw/zinc/25/90/62/243259062.db2.gz MZFIXVQTPIMRFH-HNNXBMFYSA-N 1 0 349.431 2.213 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](OC)C1 ZINC000076348145 203349231 /nfs/dbraw/zinc/34/92/31/203349231.db2.gz HFHMKDPGRQJIJY-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH3+])cc1OC ZINC000262597164 245054403 /nfs/dbraw/zinc/05/44/03/245054403.db2.gz ZCWAVYIMFLOXQZ-UHFFFAOYSA-N 1 0 339.392 2.059 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780571 245246021 /nfs/dbraw/zinc/24/60/21/245246021.db2.gz XYLRGTAIXKFSKT-TUKIKUTGSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000459789883 245247914 /nfs/dbraw/zinc/24/79/14/245247914.db2.gz MDOXYFJEOAZGPU-GFCCVEGCSA-N 1 0 331.376 2.316 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000112075226 220239857 /nfs/dbraw/zinc/23/98/57/220239857.db2.gz YHTBGNOIOSSNIL-ZDUSSCGKSA-N 1 0 334.420 2.488 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264209627 246184963 /nfs/dbraw/zinc/18/49/63/246184963.db2.gz RZKPILHRAGPAOQ-CYBMUJFWSA-N 1 0 345.355 2.287 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264907457 247031748 /nfs/dbraw/zinc/03/17/48/247031748.db2.gz MRLKVJJZGCWXPF-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1ccnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000265146304 247246430 /nfs/dbraw/zinc/24/64/30/247246430.db2.gz AGJOZNUMQRJSDI-MRXNPFEDSA-N 1 0 342.399 2.129 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000160801918 206314503 /nfs/dbraw/zinc/31/45/03/206314503.db2.gz SDAHPMVQGWXVFQ-NXEZZACHSA-N 1 0 327.331 2.476 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000161266447 206338136 /nfs/dbraw/zinc/33/81/36/206338136.db2.gz PJKGBVJZPNNHEA-QMTHXVAHSA-N 1 0 339.342 2.429 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000163603888 206462486 /nfs/dbraw/zinc/46/24/86/206462486.db2.gz BBLFVLWFRWSRPM-OAHLLOKOSA-N 1 0 349.431 2.458 20 5 EEBDRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552370 248357486 /nfs/dbraw/zinc/35/74/86/248357486.db2.gz UOJIWAZPLJOTJY-INIZCTEOSA-N 1 0 336.367 2.202 20 5 EEBDRO Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000174664994 207044123 /nfs/dbraw/zinc/04/41/23/207044123.db2.gz OEPXCSZIBKTOHI-NWDGAFQWSA-N 1 0 348.359 2.120 20 5 EEBDRO C[C@@](CO)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000174792507 207060127 /nfs/dbraw/zinc/06/01/27/207060127.db2.gz FBWYWPNESSWITM-KRWDZBQOSA-N 1 0 335.404 2.115 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175221214 207106060 /nfs/dbraw/zinc/10/60/60/207106060.db2.gz HZKLNEHTZKDGAX-ZDUSSCGKSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175382090 207121586 /nfs/dbraw/zinc/12/15/86/207121586.db2.gz STZUOVCTKOVHLJ-DAOPMYJZSA-N 1 0 336.417 2.222 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000176442200 207228454 /nfs/dbraw/zinc/22/84/54/207228454.db2.gz DOQURPUQJYNDBF-WBVHZDCISA-N 1 0 346.431 2.406 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000177592429 207361106 /nfs/dbraw/zinc/36/11/06/207361106.db2.gz KTYZABDNGAZRTN-VXGBXAGGSA-N 1 0 336.348 2.106 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000175394867 285241292 /nfs/dbraw/zinc/24/12/92/285241292.db2.gz LAGPJGBVVJQEBN-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267165256 256033991 /nfs/dbraw/zinc/03/39/91/256033991.db2.gz SBGLDYHYKPPRAC-UHFFFAOYSA-N 1 0 347.415 2.497 20 5 EEBDRO CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000267326655 256049196 /nfs/dbraw/zinc/04/91/96/256049196.db2.gz PRBXDIARNRSELD-UHFFFAOYSA-N 1 0 334.420 2.369 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267527392 256066569 /nfs/dbraw/zinc/06/65/69/256066569.db2.gz OPLQVVIYHAOIME-LBPRGKRZSA-N 1 0 344.371 2.015 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000267968909 256100471 /nfs/dbraw/zinc/10/04/71/256100471.db2.gz MHQNXAKGZPQAST-CYBMUJFWSA-N 1 0 336.392 2.054 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094880 256112375 /nfs/dbraw/zinc/11/23/75/256112375.db2.gz CLTPCIAHFCIZID-MQIPJXDCSA-N 1 0 332.404 2.438 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000270342925 256125261 /nfs/dbraw/zinc/12/52/61/256125261.db2.gz PMAVBUCVWHVYML-UHFFFAOYSA-N 1 0 334.420 2.313 20 5 EEBDRO CN(C(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058123 256261370 /nfs/dbraw/zinc/26/13/70/256261370.db2.gz LWUKXFBZMCYNIA-SJORKVTESA-N 1 0 333.388 2.105 20 5 EEBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042153 256348542 /nfs/dbraw/zinc/34/85/42/256348542.db2.gz OPEJTSSPHVUFCA-GFCCVEGCSA-N 1 0 329.784 2.183 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000420421797 291990985 /nfs/dbraw/zinc/99/09/85/291990985.db2.gz FVQQZQOHHZSQFO-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120375269 142386996 /nfs/dbraw/zinc/38/69/96/142386996.db2.gz IYWHXBZMGWZNQS-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000173673092 152187276 /nfs/dbraw/zinc/18/72/76/152187276.db2.gz VSMIKBWPKJZWLB-HNNXBMFYSA-N 1 0 348.447 2.269 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342915144 152678080 /nfs/dbraw/zinc/67/80/80/152678080.db2.gz PBIVPCAKDIUYGJ-OCCSQVGLSA-N 1 0 328.372 2.433 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000352214663 153007515 /nfs/dbraw/zinc/00/75/15/153007515.db2.gz SFFUIAOWJRLSFX-UHFFFAOYSA-N 1 0 338.408 2.383 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000262058261 160436209 /nfs/dbraw/zinc/43/62/09/160436209.db2.gz IFTVQUYNKYUNGF-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072823332 159045488 /nfs/dbraw/zinc/04/54/88/159045488.db2.gz XLXKMRYVVIOUID-HNNXBMFYSA-N 1 0 348.447 2.221 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106789429 159322257 /nfs/dbraw/zinc/32/22/57/159322257.db2.gz UDWDEWJHADGNFZ-CYBMUJFWSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107601389 159332912 /nfs/dbraw/zinc/33/29/12/159332912.db2.gz UQAKNAAXAILPBD-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)COc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000185034831 160024467 /nfs/dbraw/zinc/02/44/67/160024467.db2.gz AMBKKLMYDDQYIS-UHFFFAOYSA-N 1 0 339.367 2.102 20 5 EEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192541322 160171458 /nfs/dbraw/zinc/17/14/58/160171458.db2.gz FDDAHVCAPCSRAR-INIZCTEOSA-N 1 0 348.428 2.125 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237447289 160221768 /nfs/dbraw/zinc/22/17/68/160221768.db2.gz ZCJFNCYEZLOBJU-OUAUKWLOSA-N 1 0 341.795 2.224 20 5 EEBDRO CSCC[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462549 160347867 /nfs/dbraw/zinc/34/78/67/160347867.db2.gz PZCHCIDKDJUVPM-QWHCGFSZSA-N 1 0 328.434 2.408 20 5 EEBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000341739633 161009962 /nfs/dbraw/zinc/00/99/62/161009962.db2.gz BBGOCWNKRZHBNA-CYBMUJFWSA-N 1 0 334.401 2.470 20 5 EEBDRO COCC1(C)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343767607 161166258 /nfs/dbraw/zinc/16/62/58/161166258.db2.gz OGIHKHHCYLSDDA-AWEZNQCLSA-N 1 0 338.404 2.083 20 5 EEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000346330389 161363818 /nfs/dbraw/zinc/36/38/18/161363818.db2.gz KIESEGACGUSILR-LLVKDONJSA-N 1 0 340.376 2.386 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000355442408 163191767 /nfs/dbraw/zinc/19/17/67/163191767.db2.gz JWSLHKSXUXHQOQ-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+](C)C ZINC000355729062 163283305 /nfs/dbraw/zinc/28/33/05/163283305.db2.gz FMWOHEXCVNSBSD-CQSZACIVSA-N 1 0 348.447 2.125 20 5 EEBDRO CC[NH2+][C@@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000358915166 164015129 /nfs/dbraw/zinc/01/51/29/164015129.db2.gz NUNZEYUNESTAOL-UWVGGRQHSA-N 1 0 329.784 2.130 20 5 EEBDRO CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C[NH3+])C1 ZINC000359050473 164046855 /nfs/dbraw/zinc/04/68/55/164046855.db2.gz CNYVPTNQFGXVPF-JKSUJKDBSA-N 1 0 337.420 2.320 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000359810307 164176293 /nfs/dbraw/zinc/17/62/93/164176293.db2.gz OWZJBJXCKVDIRF-DOMZBBRYSA-N 1 0 328.372 2.316 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712604 164770638 /nfs/dbraw/zinc/77/06/38/164770638.db2.gz BATQWWTZWPZCNH-UKPHBRMFSA-N 1 0 338.404 2.374 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000368704434 166112357 /nfs/dbraw/zinc/11/23/57/166112357.db2.gz QJKVTPVAQQPDMA-CQSZACIVSA-N 1 0 332.404 2.067 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000376686420 167375316 /nfs/dbraw/zinc/37/53/16/167375316.db2.gz ICIVZTBHGPPFKY-GDBMZVCRSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000274451775 269034154 /nfs/dbraw/zinc/03/41/54/269034154.db2.gz IXANSEJEOHYNCU-LLVKDONJSA-N 1 0 327.816 2.081 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275764082 269140201 /nfs/dbraw/zinc/14/02/01/269140201.db2.gz PBSJYHHDZWKMHB-OCCSQVGLSA-N 1 0 334.376 2.352 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000278934031 269252671 /nfs/dbraw/zinc/25/26/71/269252671.db2.gz XUCQEFHJQZCZLB-MMNPAVHPSA-N 1 0 334.416 2.436 20 5 EEBDRO CSc1ccccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000280428482 269361362 /nfs/dbraw/zinc/36/13/62/269361362.db2.gz MHGHGJAKPYGXMJ-CQSZACIVSA-N 1 0 336.417 2.006 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000280466702 269364743 /nfs/dbraw/zinc/36/47/43/269364743.db2.gz GCGBLUUAXGSNDF-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000280521628 269369150 /nfs/dbraw/zinc/36/91/50/269369150.db2.gz BBRBCGWJEBZGHI-QFIPXVFZSA-N 1 0 326.418 2.384 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280656298 269383058 /nfs/dbraw/zinc/38/30/58/269383058.db2.gz ZOJZZTAVRVCAIR-RDJZCZTQSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188015033 533688630 /nfs/dbraw/zinc/68/86/30/533688630.db2.gz FMCOIMFTAJOBRN-XJKCOSOUSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000235328631 274304496 /nfs/dbraw/zinc/30/44/96/274304496.db2.gz XOOMGQAUJGJNAR-BDAKNGLRSA-N 1 0 329.198 2.173 20 5 EEBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277706220 274321807 /nfs/dbraw/zinc/32/18/07/274321807.db2.gz IBJXVKJTQAJTLO-GOSISDBHSA-N 1 0 347.415 2.111 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288114624 275025417 /nfs/dbraw/zinc/02/54/17/275025417.db2.gz XYTVQAPSPYXOAZ-RHSMWYFYSA-N 1 0 346.431 2.406 20 5 EEBDRO [NH3+]CCN(Cc1cccc2c1OCCO2)c1ccccc1[N+](=O)[O-] ZINC000289938555 275163450 /nfs/dbraw/zinc/16/34/50/275163450.db2.gz XAFGJZJZNXDWPJ-UHFFFAOYSA-N 1 0 329.356 2.331 20 5 EEBDRO NC(=O)c1ccnc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000290623287 275223528 /nfs/dbraw/zinc/22/35/28/275223528.db2.gz LUPLGLCVPMYKTR-UHFFFAOYSA-N 1 0 335.408 2.157 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000353869467 276053824 /nfs/dbraw/zinc/05/38/24/276053824.db2.gz LAGBKVIZGLQJMM-FZMZJTMJSA-N 1 0 326.418 2.383 20 5 EEBDRO C[NH+](C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccsc1 ZINC000420590647 276827462 /nfs/dbraw/zinc/82/74/62/276827462.db2.gz VZYAEVCWXDXGGY-ZDUSSCGKSA-N 1 0 334.401 2.470 20 5 EEBDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183578801 279321508 /nfs/dbraw/zinc/32/15/08/279321508.db2.gz SPOFFBHUIBRCAW-RWMBFGLXSA-N 1 0 335.408 2.478 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294172985 293387860 /nfs/dbraw/zinc/38/78/60/293387860.db2.gz CNVVEOHYTNAHNY-UHFFFAOYSA-N 1 0 340.399 2.212 20 5 EEBDRO CN(C)C(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295109708 293616989 /nfs/dbraw/zinc/61/69/89/293616989.db2.gz IKDBSBAZAJHHAX-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285792 293936292 /nfs/dbraw/zinc/93/62/92/293936292.db2.gz ZECZOMGRUAWERA-HFBAOOFYSA-N 1 0 335.404 2.207 20 5 EEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296565426 294009582 /nfs/dbraw/zinc/00/95/82/294009582.db2.gz PXZRFNIFXYKQKA-UHFFFAOYSA-N 1 0 337.420 2.118 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000296750904 294057621 /nfs/dbraw/zinc/05/76/21/294057621.db2.gz BEWMVUSWNLURCA-LLVKDONJSA-N 1 0 331.376 2.027 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)C1CC1 ZINC000297383398 294228693 /nfs/dbraw/zinc/22/86/93/294228693.db2.gz RGIPKZFJVAOOJU-ZWKOTPCHSA-N 1 0 347.459 2.352 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299590016 294780924 /nfs/dbraw/zinc/78/09/24/294780924.db2.gz ZGSCNHZAVFADRK-GHMZBOCLSA-N 1 0 337.424 2.113 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238009209 303406468 /nfs/dbraw/zinc/40/64/68/303406468.db2.gz YUFNMNIWFCJMRJ-KBPBESRZSA-N 1 0 332.404 2.052 20 5 EEBDRO CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000430961529 314599606 /nfs/dbraw/zinc/59/96/06/314599606.db2.gz OBCCGZQIORNYTD-CQSZACIVSA-N 1 0 334.420 2.306 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000435376398 314898118 /nfs/dbraw/zinc/89/81/18/314898118.db2.gz ZNAHABGALRNBRV-GFCCVEGCSA-N 1 0 333.413 2.483 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C ZINC000444164128 315277861 /nfs/dbraw/zinc/27/78/61/315277861.db2.gz CXSVUVNKJKGUTG-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000518466992 316727877 /nfs/dbraw/zinc/72/78/77/316727877.db2.gz MDFXKMCWZQATTD-NSHDSACASA-N 1 0 331.376 2.164 20 5 EEBDRO CSc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000521793131 316930648 /nfs/dbraw/zinc/93/06/48/316930648.db2.gz YIUKQCCWCYHJCS-ZDUSSCGKSA-N 1 0 349.416 2.073 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530469082 317723563 /nfs/dbraw/zinc/72/35/63/317723563.db2.gz JBZJYRRVTCHVQC-UHFFFAOYSA-N 1 0 349.387 2.272 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CO2 ZINC000562998063 318955634 /nfs/dbraw/zinc/95/56/34/318955634.db2.gz YXMUPYZRVJSEOZ-YOEHRIQHSA-N 1 0 344.367 2.366 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000565001501 319137233 /nfs/dbraw/zinc/13/72/33/319137233.db2.gz BGNHYKNAVJZXEV-RKDXNWHRSA-N 1 0 349.309 2.392 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCSC1 ZINC000566129346 319249031 /nfs/dbraw/zinc/24/90/31/319249031.db2.gz CPWCTDPJCOZAMP-CHWSQXEVSA-N 1 0 326.418 2.067 20 5 EEBDRO CCOc1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000567674259 319403223 /nfs/dbraw/zinc/40/32/23/319403223.db2.gz GCSATPYAGLCNQA-CQSZACIVSA-N 1 0 339.392 2.105 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570676444 319687397 /nfs/dbraw/zinc/68/73/97/319687397.db2.gz PWNXXEBDHSSXAL-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO CC[NH2+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000576466683 320174656 /nfs/dbraw/zinc/17/46/56/320174656.db2.gz VGJUJTOVIZLXQZ-UHFFFAOYSA-N 1 0 344.209 2.016 20 5 EEBDRO CC[C@@H](C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316778 320307144 /nfs/dbraw/zinc/30/71/44/320307144.db2.gz LXDHXDIQCQAZKW-IUODEOHRSA-N 1 0 344.433 2.019 20 5 EEBDRO CC[C@@H](C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316777 320307165 /nfs/dbraw/zinc/30/71/65/320307165.db2.gz LXDHXDIQCQAZKW-DOMZBBRYSA-N 1 0 344.433 2.019 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000578337803 320309127 /nfs/dbraw/zinc/30/91/27/320309127.db2.gz RUAIWBBAXPRMCC-ZDUSSCGKSA-N 1 0 340.811 2.334 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000182298086 323371896 /nfs/dbraw/zinc/37/18/96/323371896.db2.gz RPKBAWGBJPURPM-GXTWGEPZSA-N 1 0 337.376 2.089 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000578499416 323641399 /nfs/dbraw/zinc/64/13/99/323641399.db2.gz MAIIKQGGMIWOIH-GOSISDBHSA-N 1 0 342.395 2.339 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581067706 324178679 /nfs/dbraw/zinc/17/86/79/324178679.db2.gz NLWGHJJGOKIYBV-CZUORRHYSA-N 1 0 333.388 2.471 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000347472960 465043477 /nfs/dbraw/zinc/04/34/77/465043477.db2.gz SRNGNPARAVJBEE-LBPRGKRZSA-N 1 0 335.404 2.351 20 5 EEBDRO C[NH+](C)C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCC1 ZINC000336870075 465061986 /nfs/dbraw/zinc/06/19/86/465061986.db2.gz HCVCCRUGLUNEJY-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC(F)(F)F ZINC000358373490 465085107 /nfs/dbraw/zinc/08/51/07/465085107.db2.gz XWDINKTYLYTMFX-KOLCDFICSA-N 1 0 349.309 2.215 20 5 EEBDRO COc1cc(C[NH2+][C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533023 465219345 /nfs/dbraw/zinc/21/93/45/465219345.db2.gz PSMKGCQSGHVOIM-UWVGGRQHSA-N 1 0 348.346 2.496 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000298363010 465375036 /nfs/dbraw/zinc/37/50/36/465375036.db2.gz GBNMOHOHJTVAGL-NEPJUHHUSA-N 1 0 337.376 2.041 20 5 EEBDRO C[C@@H]1CC[N@H+](CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048270 468302189 /nfs/dbraw/zinc/30/21/89/468302189.db2.gz MSZQGPGKSODDFY-RHSMWYFYSA-N 1 0 343.431 2.349 20 5 EEBDRO CC(=O)c1ccc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000074055326 462549676 /nfs/dbraw/zinc/54/96/76/462549676.db2.gz PWWZLTCDTURXRH-SFHVURJKSA-N 1 0 348.447 2.481 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000113197727 462575893 /nfs/dbraw/zinc/57/58/93/462575893.db2.gz SGUGWTKUVWAKNP-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088478701 462631138 /nfs/dbraw/zinc/63/11/38/462631138.db2.gz WZPVBXULNIZBIJ-UHFFFAOYSA-N 1 0 334.420 2.394 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000153290367 462635094 /nfs/dbraw/zinc/63/50/94/462635094.db2.gz BYRBZFJJAXQCCS-UHFFFAOYSA-N 1 0 331.332 2.364 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644493 462702713 /nfs/dbraw/zinc/70/27/13/462702713.db2.gz YVOJXAMJBZKJQQ-DOTOQJQBSA-N 1 0 342.399 2.346 20 5 EEBDRO Nc1nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000065202039 462741678 /nfs/dbraw/zinc/74/16/78/462741678.db2.gz XRMQPXMGHPHCHH-AWEZNQCLSA-N 1 0 342.403 2.291 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000116277937 462752127 /nfs/dbraw/zinc/75/21/27/462752127.db2.gz DVBKSCMJPIZBFK-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090092454 462775384 /nfs/dbraw/zinc/77/53/84/462775384.db2.gz JTSIVWAXDNPXEX-OAHLLOKOSA-N 1 0 341.415 2.315 20 5 EEBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000117336662 462798601 /nfs/dbraw/zinc/79/86/01/462798601.db2.gz ZUKLQBGRMUFNAC-LBPRGKRZSA-N 1 0 349.387 2.392 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+](C)C1CC1 ZINC000066923784 462948120 /nfs/dbraw/zinc/94/81/20/462948120.db2.gz NZHXJXSQNFDWAD-JTQLQIEISA-N 1 0 341.795 2.226 20 5 EEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000156428427 463024273 /nfs/dbraw/zinc/02/42/73/463024273.db2.gz VCRLTOOAVZMLDZ-NSHDSACASA-N 1 0 325.384 2.369 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000156701840 463059141 /nfs/dbraw/zinc/05/91/41/463059141.db2.gz SJOANZPQYYHTCV-ZBEGNZNMSA-N 1 0 332.404 2.369 20 5 EEBDRO COc1ccc(CC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000067901331 463065439 /nfs/dbraw/zinc/06/54/39/463065439.db2.gz QXVCVPOGOQCQIP-UHFFFAOYSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067915946 463067509 /nfs/dbraw/zinc/06/75/09/463067509.db2.gz JZVSMQSCBSEBBK-HNNXBMFYSA-N 1 0 347.415 2.233 20 5 EEBDRO O=C(C1CC1)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121180854 463093737 /nfs/dbraw/zinc/09/37/37/463093737.db2.gz ZUPZRYUPTWDBDC-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151404 463111886 /nfs/dbraw/zinc/11/18/86/463111886.db2.gz UZBRWYHMWSPWRA-TXEJJXNPSA-N 1 0 338.364 2.414 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068264027 463113355 /nfs/dbraw/zinc/11/33/55/463113355.db2.gz UQXSTSHSMFYMBS-AWEZNQCLSA-N 1 0 345.403 2.303 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000078575106 463130693 /nfs/dbraw/zinc/13/06/93/463130693.db2.gz GOTZBQAQKJJTRQ-OAHLLOKOSA-N 1 0 346.431 2.408 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000121475381 463141672 /nfs/dbraw/zinc/14/16/72/463141672.db2.gz JEAYFKOJXYYMFY-UHFFFAOYSA-N 1 0 328.372 2.493 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079458550 463217827 /nfs/dbraw/zinc/21/78/27/463217827.db2.gz HUYMTBOUFKSVPR-CYBMUJFWSA-N 1 0 332.404 2.221 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000139301690 463321226 /nfs/dbraw/zinc/32/12/26/463321226.db2.gz XVAQEBDIAWTTKH-NEPJUHHUSA-N 1 0 337.376 2.041 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000081017234 463383085 /nfs/dbraw/zinc/38/30/85/463383085.db2.gz GFSDAEZSCQVGCD-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070791831 463386128 /nfs/dbraw/zinc/38/61/28/463386128.db2.gz JAKMPSBZFHOOSQ-NSHDSACASA-N 1 0 339.421 2.073 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[NH+](C)C ZINC000033093537 463412378 /nfs/dbraw/zinc/41/23/78/463412378.db2.gz DIIJTBYMCKRFAH-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCN1CCOCC1)C1CC1 ZINC000151168590 463488419 /nfs/dbraw/zinc/48/84/19/463488419.db2.gz RMMCKBKIHVYPHP-QGZVFWFLSA-N 1 0 333.432 2.228 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000177787643 463791554 /nfs/dbraw/zinc/79/15/54/463791554.db2.gz QEGGAHNXUDXQFU-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO CCOC1CC(N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000287089910 463795506 /nfs/dbraw/zinc/79/55/06/463795506.db2.gz WZPPFYMRRCWJQA-UHFFFAOYSA-N 1 0 337.376 2.041 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000283247057 463817985 /nfs/dbraw/zinc/81/79/85/463817985.db2.gz VCXTZJNYLBCQQZ-NWDGAFQWSA-N 1 0 340.376 2.160 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178072173 463840110 /nfs/dbraw/zinc/84/01/10/463840110.db2.gz MBNWVPWGJUEMSV-ZDUSSCGKSA-N 1 0 343.449 2.225 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287258272 463850433 /nfs/dbraw/zinc/85/04/33/463850433.db2.gz HDOJQQYVKURSQV-SNVBAGLBSA-N 1 0 329.784 2.280 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261883410 463887529 /nfs/dbraw/zinc/88/75/29/463887529.db2.gz YUXRPCOBNWKVMN-JKSUJKDBSA-N 1 0 341.367 2.170 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1C ZINC000194771252 463926336 /nfs/dbraw/zinc/92/63/36/463926336.db2.gz VFQZBYQFBAUWPK-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178681251 463941519 /nfs/dbraw/zinc/94/15/19/463941519.db2.gz KBBXBBVVFUYFME-SWLSCSKDSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C ZINC000262816570 464048441 /nfs/dbraw/zinc/04/84/41/464048441.db2.gz PEQRQCWEYYSANH-GJZGRUSLSA-N 1 0 349.434 2.364 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000279172185 464052477 /nfs/dbraw/zinc/05/24/77/464052477.db2.gz JFHSGPYLWIOJFC-UHFFFAOYSA-N 1 0 338.383 2.016 20 5 EEBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279235585 464073576 /nfs/dbraw/zinc/07/35/76/464073576.db2.gz FIXJJTFLDTYNMO-LRDDRELGSA-N 1 0 333.388 2.057 20 5 EEBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000187609837 464144301 /nfs/dbraw/zinc/14/43/01/464144301.db2.gz WRUKQYQZHDMNKF-QGZVFWFLSA-N 1 0 335.404 2.408 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000236746218 464222284 /nfs/dbraw/zinc/22/22/84/464222284.db2.gz LNRXMIDJACVIAX-SNVBAGLBSA-N 1 0 349.840 2.352 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000237072596 464259487 /nfs/dbraw/zinc/25/94/87/464259487.db2.gz NCBJMNYGCUPYJE-GFCCVEGCSA-N 1 0 332.404 2.241 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[NH2+]2)cc1SC ZINC000237121747 464267965 /nfs/dbraw/zinc/26/79/65/464267965.db2.gz ZWHIGBOMQGVHQC-SNVBAGLBSA-N 1 0 339.417 2.197 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000284810243 464349994 /nfs/dbraw/zinc/34/99/94/464349994.db2.gz KRMRGJSNLQPFSR-WMZOPIPTSA-N 1 0 349.431 2.287 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264667337 464415124 /nfs/dbraw/zinc/41/51/24/464415124.db2.gz KFSVTHJOEPCXML-UHFFFAOYSA-N 1 0 345.403 2.132 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000237999745 464416975 /nfs/dbraw/zinc/41/69/75/464416975.db2.gz FSGOAUVZGHNCDY-AWEZNQCLSA-N 1 0 334.420 2.293 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180963326 464428106 /nfs/dbraw/zinc/42/81/06/464428106.db2.gz HICMUTJLTIUDCR-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+](C)C ZINC000271977581 464434465 /nfs/dbraw/zinc/43/44/65/464434465.db2.gz DFEMKTBCAWDMGD-OCCSQVGLSA-N 1 0 336.417 2.213 20 5 EEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC12CC3CC(CC(C3)C1)C2 ZINC000174724276 464442118 /nfs/dbraw/zinc/44/21/18/464442118.db2.gz CBSSNDYYWPRQAZ-UUMMVJRDSA-N 1 0 348.447 2.300 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000181087549 464442981 /nfs/dbraw/zinc/44/29/81/464442981.db2.gz IHZVVIKYDKUVJZ-UHFFFAOYSA-N 1 0 334.420 2.300 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000181162175 464452267 /nfs/dbraw/zinc/45/22/67/464452267.db2.gz BGUGKCAUOPRVKM-UHFFFAOYSA-N 1 0 332.404 2.314 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099044 464454094 /nfs/dbraw/zinc/45/40/94/464454094.db2.gz KFUAHHDFXMNVER-OCCSQVGLSA-N 1 0 344.419 2.230 20 5 EEBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](O)C(F)(F)F ZINC000189453853 464508387 /nfs/dbraw/zinc/50/83/87/464508387.db2.gz CLMITNVDHVNBGE-GFCCVEGCSA-N 1 0 349.309 2.087 20 5 EEBDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285302541 464517444 /nfs/dbraw/zinc/51/74/44/464517444.db2.gz SCVWJWMWANCVAP-NSHDSACASA-N 1 0 329.422 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000281674396 464543828 /nfs/dbraw/zinc/54/38/28/464543828.db2.gz UEOBEAWRZDURRS-DZGCQCFKSA-N 1 0 347.415 2.271 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381604 464544368 /nfs/dbraw/zinc/54/43/68/464544368.db2.gz ABLJQNQLLZQLBU-DOMZBBRYSA-N 1 0 335.404 2.209 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285385773 464545511 /nfs/dbraw/zinc/54/55/11/464545511.db2.gz BSSHVFNKYDVWPG-KGLIPLIRSA-N 1 0 332.404 2.092 20 5 EEBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190042196 464590931 /nfs/dbraw/zinc/59/09/31/464590931.db2.gz LOBURDYXSBWMEO-KGLIPLIRSA-N 1 0 325.434 2.410 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246749827 464618697 /nfs/dbraw/zinc/61/86/97/464618697.db2.gz HEKSCLLJTOGNGW-GDBMZVCRSA-N 1 0 332.404 2.221 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272459717 464619850 /nfs/dbraw/zinc/61/98/50/464619850.db2.gz DFKRMCSZZQNXPN-CYBMUJFWSA-N 1 0 327.331 2.287 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000285634559 464636824 /nfs/dbraw/zinc/63/68/24/464636824.db2.gz AJZKBIIIBYSKFO-CYBMUJFWSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775799 464692581 /nfs/dbraw/zinc/69/25/81/464692581.db2.gz DRIWNEWMMZZDCY-NVXWUHKLSA-N 1 0 349.431 2.159 20 5 EEBDRO C[C@@H](CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000295077337 464698586 /nfs/dbraw/zinc/69/85/86/464698586.db2.gz HXBAVZWSVCTJCP-CYBMUJFWSA-N 1 0 332.404 2.494 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]2C1 ZINC000295418260 464825022 /nfs/dbraw/zinc/82/50/22/464825022.db2.gz SCVQCZBKZBOHFL-AOOOYVTPSA-N 1 0 343.305 2.247 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373441 464896799 /nfs/dbraw/zinc/89/67/99/464896799.db2.gz YUKGZBYPIUXDJD-GUTXKFCHSA-N 1 0 335.404 2.371 20 5 EEBDRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295692299 464931067 /nfs/dbraw/zinc/93/10/67/464931067.db2.gz SRMQKTJABMZOQJ-HNNXBMFYSA-N 1 0 337.376 2.136 20 5 EEBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276523742 464964906 /nfs/dbraw/zinc/96/49/06/464964906.db2.gz GSIBGZJLLNSOBT-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000286584577 464969231 /nfs/dbraw/zinc/96/92/31/464969231.db2.gz QILNPFKGHLHNOB-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO COC(=O)c1cnc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000276603240 464997500 /nfs/dbraw/zinc/99/75/00/464997500.db2.gz RJFNCHZZFXXPIK-UHFFFAOYSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000192823321 465005609 /nfs/dbraw/zinc/00/56/09/465005609.db2.gz GCSYFXNILWGFAO-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000298502303 465414189 /nfs/dbraw/zinc/41/41/89/465414189.db2.gz POOOCLLIJUDFIT-UONOGXRCSA-N 1 0 335.404 2.210 20 5 EEBDRO CC[N@@H+](Cc1ccncc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298686503 465472036 /nfs/dbraw/zinc/47/20/36/465472036.db2.gz PIEQENICNTVBIU-OAHLLOKOSA-N 1 0 331.372 2.252 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000352089993 465474424 /nfs/dbraw/zinc/47/44/24/465474424.db2.gz TXVIHPVDVWKJPC-RISCZKNCSA-N 1 0 329.360 2.175 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c(F)c1 ZINC000339759867 465494041 /nfs/dbraw/zinc/49/40/41/465494041.db2.gz JFFKXZVQDVIJRJ-JKSUJKDBSA-N 1 0 342.342 2.283 20 5 EEBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360594882 465583403 /nfs/dbraw/zinc/58/34/03/465583403.db2.gz IWHFUMNOYNNZHG-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299436563 465747551 /nfs/dbraw/zinc/74/75/51/465747551.db2.gz YZBOZFUGXZIHKD-AWEZNQCLSA-N 1 0 340.383 2.181 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000548679881 468450346 /nfs/dbraw/zinc/45/03/46/468450346.db2.gz JNFHNVJACSSCGZ-YVEFUNNKSA-N 1 0 347.415 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084351 465755267 /nfs/dbraw/zinc/75/52/67/465755267.db2.gz PVCCXLHRFUGZEC-PWSUYJOCSA-N 1 0 327.331 2.238 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344735083 465782930 /nfs/dbraw/zinc/78/29/30/465782930.db2.gz ZTHJRGPNWSMZGW-LBPRGKRZSA-N 1 0 349.435 2.388 20 5 EEBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000330814153 465813754 /nfs/dbraw/zinc/81/37/54/465813754.db2.gz PWAFXRSWIVWMTL-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccn(CC[NH+](C)C)n1 ZINC000345043319 465818295 /nfs/dbraw/zinc/81/82/95/465818295.db2.gz HDMDFOJXMJPTOL-KAMYIIQDSA-N 1 0 329.404 2.868 20 5 EEBDRO [NH3+]CCN(Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000348901938 465863890 /nfs/dbraw/zinc/86/38/90/465863890.db2.gz AWEALSHKHNEFFI-UHFFFAOYSA-N 1 0 329.282 2.302 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000591356382 468458166 /nfs/dbraw/zinc/45/81/66/468458166.db2.gz MTLMVTJWRLGXER-CYBMUJFWSA-N 1 0 340.811 2.232 20 5 EEBDRO Nc1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301070774 465895961 /nfs/dbraw/zinc/89/59/61/465895961.db2.gz HGEJSEHUTZFWPM-UHFFFAOYSA-N 1 0 346.366 2.183 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000362646386 465907284 /nfs/dbraw/zinc/90/72/84/465907284.db2.gz YOHUGWBCAQDXLS-CQSZACIVSA-N 1 0 335.404 2.068 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000357291571 465918377 /nfs/dbraw/zinc/91/83/77/465918377.db2.gz FAEOEZFXZSBQNI-IIYDPXPESA-N 1 0 334.420 2.290 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000349023698 465925170 /nfs/dbraw/zinc/92/51/70/465925170.db2.gz CHJGVTKENMSPGV-NSHDSACASA-N 1 0 342.355 2.067 20 5 EEBDRO CC(C)[N@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497576 465932744 /nfs/dbraw/zinc/93/27/44/465932744.db2.gz PNAGFXQBLLYHQU-INIZCTEOSA-N 1 0 331.420 2.348 20 5 EEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301269984 465932968 /nfs/dbraw/zinc/93/29/68/465932968.db2.gz HKVRDEPGLWZRRN-CQSZACIVSA-N 1 0 338.839 2.464 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301698942 466013295 /nfs/dbraw/zinc/01/32/95/466013295.db2.gz RJJJMZDZQLUVLH-SECBINFHSA-N 1 0 329.198 2.140 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252813 466032429 /nfs/dbraw/zinc/03/24/29/466032429.db2.gz ZGPLTZLGOAEJLU-DVOMOZLQSA-N 1 0 347.415 2.406 20 5 EEBDRO O=[N+]([O-])c1ccsc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301940856 466063788 /nfs/dbraw/zinc/06/37/88/466063788.db2.gz UYTNNPWTHVJHMO-CQSZACIVSA-N 1 0 333.413 2.487 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000353759717 466126363 /nfs/dbraw/zinc/12/63/63/466126363.db2.gz PTTVFUUXWKGGQB-GFCCVEGCSA-N 1 0 345.355 2.392 20 5 EEBDRO Cc1c(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000331609344 466161413 /nfs/dbraw/zinc/16/14/13/466161413.db2.gz PCBHNBBYSSWIEU-QGZVFWFLSA-N 1 0 347.415 2.163 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000591581206 468487412 /nfs/dbraw/zinc/48/74/12/468487412.db2.gz NJLRYLNATJGSLC-JKSUJKDBSA-N 1 0 341.415 2.149 20 5 EEBDRO Cc1n[nH]c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000332131031 466403560 /nfs/dbraw/zinc/40/35/60/466403560.db2.gz KMPNHWMKWDQXQM-UHFFFAOYSA-N 1 0 349.435 2.399 20 5 EEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597243510 468493867 /nfs/dbraw/zinc/49/38/67/468493867.db2.gz NGNYBVIRWKBYBB-CZMCAQCFSA-N 1 0 330.287 2.237 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332380066 466535185 /nfs/dbraw/zinc/53/51/85/466535185.db2.gz GHWODJNBWKNQDW-SJORKVTESA-N 1 0 347.415 2.262 20 5 EEBDRO C[NH+](C)CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000354402221 466540437 /nfs/dbraw/zinc/54/04/37/466540437.db2.gz HHKJERYAJLHXTJ-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313986369 466545759 /nfs/dbraw/zinc/54/57/59/466545759.db2.gz NAQXNMIRFHCCEY-SECBINFHSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+](C)C)CC1 ZINC000354417566 466552912 /nfs/dbraw/zinc/55/29/12/466552912.db2.gz WRKZPZWGZYYVEX-CYBMUJFWSA-N 1 0 334.420 2.195 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591673372 468501352 /nfs/dbraw/zinc/50/13/52/468501352.db2.gz RTQVQONZPFTKKF-JQWIXIFHSA-N 1 0 327.331 2.325 20 5 EEBDRO C[C@@H](C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO)c1ccccc1 ZINC000347367245 466594219 /nfs/dbraw/zinc/59/42/19/466594219.db2.gz MKDPDPIHUMXIJF-LSDHHAIUSA-N 1 0 332.404 2.278 20 5 EEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000363919330 466654398 /nfs/dbraw/zinc/65/43/98/466654398.db2.gz JNUMFWSATWJOQW-OAHLLOKOSA-N 1 0 336.411 2.339 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363935980 466660528 /nfs/dbraw/zinc/66/05/28/466660528.db2.gz CXXZXYYDHZILSG-VXGBXAGGSA-N 1 0 348.359 2.168 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374633484 466699841 /nfs/dbraw/zinc/69/98/41/466699841.db2.gz YEQHTPCOYCKUJK-LEWSCRJBSA-N 1 0 348.359 2.011 20 5 EEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000411175807 466777892 /nfs/dbraw/zinc/77/78/92/466777892.db2.gz RMCMDVHCVWYTGG-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423665805 466798669 /nfs/dbraw/zinc/79/86/69/466798669.db2.gz RDVAGPGQEMFHIK-JOCQHMNTSA-N 1 0 335.404 2.488 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411382195 466818190 /nfs/dbraw/zinc/81/81/90/466818190.db2.gz JYYNXQYJKCFTOA-AFAVFJNCSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375697384 466865898 /nfs/dbraw/zinc/86/58/98/466865898.db2.gz LIGFULQEYDLQCM-LBPRGKRZSA-N 1 0 333.388 2.471 20 5 EEBDRO Cn1ncc2c1CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000411857364 466918600 /nfs/dbraw/zinc/91/86/00/466918600.db2.gz SBUAPKSWPJFUEC-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000423982687 466936591 /nfs/dbraw/zinc/93/65/91/466936591.db2.gz RYAIFUHAFQRNTN-HNNXBMFYSA-N 1 0 342.399 2.385 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000411977059 466954421 /nfs/dbraw/zinc/95/44/21/466954421.db2.gz XRCXSIJFLCPOPU-GOSISDBHSA-N 1 0 325.368 2.224 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000374469305 467055007 /nfs/dbraw/zinc/05/50/07/467055007.db2.gz PNMWQGIPHYGOSP-RISCZKNCSA-N 1 0 343.387 2.182 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000412354530 467072853 /nfs/dbraw/zinc/07/28/53/467072853.db2.gz BLILCVDEBONAKL-LZLYRXPVSA-N 1 0 329.400 2.253 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418310028 467091369 /nfs/dbraw/zinc/09/13/69/467091369.db2.gz DBYKXFRGMIWESC-HOCLYGCPSA-N 1 0 346.431 2.483 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418638886 467139029 /nfs/dbraw/zinc/13/90/29/467139029.db2.gz LJSOIMFDQHVLKF-MRXNPFEDSA-N 1 0 346.431 2.441 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427617882 467167673 /nfs/dbraw/zinc/16/76/73/467167673.db2.gz LEPMKYVQQWFSKO-NHCYSSNCSA-N 1 0 341.795 2.130 20 5 EEBDRO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000450949168 467213504 /nfs/dbraw/zinc/21/35/04/467213504.db2.gz AAJPFCONTAJDPZ-LBPRGKRZSA-N 1 0 336.392 2.085 20 5 EEBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433130719 467296465 /nfs/dbraw/zinc/29/64/65/467296465.db2.gz SLVCFSWJXRXLEW-INIZCTEOSA-N 1 0 335.404 2.196 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429312743 467324626 /nfs/dbraw/zinc/32/46/26/467324626.db2.gz DYTYYHQGDAOKJO-ZDUSSCGKSA-N 1 0 341.367 2.304 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCCO2)nc1-c1ccc(F)cc1 ZINC000420283466 467337283 /nfs/dbraw/zinc/33/72/83/467337283.db2.gz XJCMMZPTWZYVNF-AWEZNQCLSA-N 1 0 346.362 2.586 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420309741 467348560 /nfs/dbraw/zinc/34/85/60/467348560.db2.gz FIPIGDZFEGZBSN-LLVKDONJSA-N 1 0 340.811 2.390 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420398416 467395138 /nfs/dbraw/zinc/39/51/38/467395138.db2.gz GULWTXKUFLVXJB-CQSZACIVSA-N 1 0 340.383 2.232 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000430228212 467410058 /nfs/dbraw/zinc/41/00/58/467410058.db2.gz RNARUGXHPANUPG-CYBMUJFWSA-N 1 0 331.376 2.410 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944326 467455442 /nfs/dbraw/zinc/45/54/42/467455442.db2.gz GPNDZMBRSLJEAJ-VIFPVBQESA-N 1 0 344.318 2.317 20 5 EEBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000435391848 467466209 /nfs/dbraw/zinc/46/62/09/467466209.db2.gz XZPGRBCOFHZPJP-UHFFFAOYSA-N 1 0 329.404 2.179 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435614368 467481532 /nfs/dbraw/zinc/48/15/32/467481532.db2.gz MLCYFCCJERYHRW-CYBMUJFWSA-N 1 0 331.376 2.219 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000408074308 467504683 /nfs/dbraw/zinc/50/46/83/467504683.db2.gz VYRMGNOHXUNJJS-KGLIPLIRSA-N 1 0 346.431 2.360 20 5 EEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062223 467615969 /nfs/dbraw/zinc/61/59/69/467615969.db2.gz YCIVQCLONJWNRP-NVXWUHKLSA-N 1 0 335.448 2.472 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000449265064 467626983 /nfs/dbraw/zinc/62/69/83/467626983.db2.gz QTDORFGYDJFJHW-NOLJZWGESA-N 1 0 330.388 2.379 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457102176 467752835 /nfs/dbraw/zinc/75/28/35/467752835.db2.gz ZOWZVYBKFGQNMJ-INIZCTEOSA-N 1 0 347.415 2.499 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000450245617 467807917 /nfs/dbraw/zinc/80/79/17/467807917.db2.gz SEMNWNHHXZRLBS-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493057421 467830647 /nfs/dbraw/zinc/83/06/47/467830647.db2.gz UYJKMZJOVNASPJ-MIVXPEEVSA-N 1 0 329.400 2.456 20 5 EEBDRO CO[C@H]1COCC[C@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000450700223 467894183 /nfs/dbraw/zinc/89/41/83/467894183.db2.gz LWVVCKCZBUKVEM-SJCJKPOMSA-N 1 0 331.372 2.337 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000493698017 467966347 /nfs/dbraw/zinc/96/63/47/467966347.db2.gz ZPDJEXOMZLIVKO-UYZDIKGJSA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484496042 468008912 /nfs/dbraw/zinc/00/89/12/468008912.db2.gz GUFMDEQLGTVEAR-MGPQQGTHSA-N 1 0 335.404 2.453 20 5 EEBDRO CC(C)[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000487059104 468020146 /nfs/dbraw/zinc/02/01/46/468020146.db2.gz IKEBPWTYKSSRLN-CQSZACIVSA-N 1 0 331.376 2.421 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966262 468060571 /nfs/dbraw/zinc/06/05/71/468060571.db2.gz LSBNASPOHIQXQR-ZJNRKIDTSA-N 1 0 344.367 2.446 20 5 EEBDRO CO[C@@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1OC ZINC000487977685 468064625 /nfs/dbraw/zinc/06/46/25/468064625.db2.gz WJQABQQZKNIXAM-HZPDHXFCSA-N 1 0 347.371 2.138 20 5 EEBDRO COc1cccnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567697643 468187580 /nfs/dbraw/zinc/18/75/80/468187580.db2.gz AMMWMBQUHZCWTE-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO Cc1ccccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000549698442 468193462 /nfs/dbraw/zinc/19/34/62/468193462.db2.gz DYQQZCQFEVPAFX-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218927 468234296 /nfs/dbraw/zinc/23/42/96/468234296.db2.gz IJFRWBRHZDFULO-UKRRQHHQSA-N 1 0 348.403 2.357 20 5 EEBDRO CCOC(=O)Cc1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000591909853 468563460 /nfs/dbraw/zinc/56/34/60/468563460.db2.gz YUKOSYNKGFATNX-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000582720851 468583928 /nfs/dbraw/zinc/58/39/28/468583928.db2.gz JYRPJSYQXJMAFE-INIZCTEOSA-N 1 0 345.399 2.297 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594521706 468615057 /nfs/dbraw/zinc/61/50/57/468615057.db2.gz NVLWEXJCYKDLLM-JSGCOSHPSA-N 1 0 329.404 2.192 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000583203058 468661538 /nfs/dbraw/zinc/66/15/38/468661538.db2.gz JHXCPWINRWLHHE-ZDUSSCGKSA-N 1 0 332.360 2.286 20 5 EEBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558461083 468680826 /nfs/dbraw/zinc/68/08/26/468680826.db2.gz DJYCVCBDIYEKNR-MZBDJJRSSA-N 1 0 332.404 2.361 20 5 EEBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375627 468685422 /nfs/dbraw/zinc/68/54/22/468685422.db2.gz XDDFXNCYXSQSPK-DGCLKSJQSA-N 1 0 326.393 2.499 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597855046 468693941 /nfs/dbraw/zinc/69/39/41/468693941.db2.gz PWCYSOWZHQGWFX-NSHDSACASA-N 1 0 345.403 2.321 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(CN(C3CC3)C3CC[NH2+]CC3)n2)c1 ZINC000592471291 468705841 /nfs/dbraw/zinc/70/58/41/468705841.db2.gz QVFIFSBLHVNIJR-UHFFFAOYSA-N 1 0 343.387 2.361 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592484996 468708721 /nfs/dbraw/zinc/70/87/21/468708721.db2.gz MIKNKYNVOHMUCE-MRXNPFEDSA-N 1 0 334.420 2.162 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554673 468729071 /nfs/dbraw/zinc/72/90/71/468729071.db2.gz LQNDFEKDGQGOLL-CVEARBPZSA-N 1 0 331.416 2.376 20 5 EEBDRO C[NH+](C)C1CCN(CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601124932 468752090 /nfs/dbraw/zinc/75/20/90/468752090.db2.gz KEAMRHLSVMJIMB-UHFFFAOYSA-N 1 0 343.431 2.003 20 5 EEBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C)C1 ZINC000592831699 468799138 /nfs/dbraw/zinc/79/91/38/468799138.db2.gz NTPVWZMCCPUIOV-GFCCVEGCSA-N 1 0 331.376 2.027 20 5 EEBDRO CCCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592829783 468799188 /nfs/dbraw/zinc/79/91/88/468799188.db2.gz YSMOZJBVXDANOQ-AWEZNQCLSA-N 1 0 335.404 2.468 20 5 EEBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182736 468816292 /nfs/dbraw/zinc/81/62/92/468816292.db2.gz JMIPZOCSYLXFLR-WBVHZDCISA-N 1 0 347.415 2.055 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601364659 468841950 /nfs/dbraw/zinc/84/19/50/468841950.db2.gz LASGMQTWCQDKKH-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO CC(C)O[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053756 468853528 /nfs/dbraw/zinc/85/35/28/468853528.db2.gz LPPLDVXIYYJFAS-HUUCEWRRSA-N 1 0 338.404 2.224 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474542 468867454 /nfs/dbraw/zinc/86/74/54/468867454.db2.gz WMHBRZPOLGJZKI-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000561224094 468878373 /nfs/dbraw/zinc/87/83/73/468878373.db2.gz JQJHTYZTNXRRSD-OCCSQVGLSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153528 468888158 /nfs/dbraw/zinc/88/81/58/468888158.db2.gz ONQYQGVJHLFODI-DOMZBBRYSA-N 1 0 335.379 2.362 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000595544160 468895360 /nfs/dbraw/zinc/89/53/60/468895360.db2.gz MPMLXECXTRUAJW-JKSUJKDBSA-N 1 0 343.358 2.435 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585581 468903069 /nfs/dbraw/zinc/90/30/69/468903069.db2.gz LOEAUEGICDKVSR-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000601549304 468915545 /nfs/dbraw/zinc/91/55/45/468915545.db2.gz DVISGZSGFFTAFK-GFCCVEGCSA-N 1 0 341.367 2.381 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598571223 468918718 /nfs/dbraw/zinc/91/87/18/468918718.db2.gz HZDSSVJEGIIFKI-CQSZACIVSA-N 1 0 335.404 2.452 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598575760 468920397 /nfs/dbraw/zinc/92/03/97/468920397.db2.gz WVVZCVPGSJEUQJ-OAHLLOKOSA-N 1 0 337.395 2.468 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000598590021 468924972 /nfs/dbraw/zinc/92/49/72/468924972.db2.gz OACVWNRNVPBJIK-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000602618145 468969160 /nfs/dbraw/zinc/96/91/60/468969160.db2.gz DFLJICPFOLRSOW-UHFFFAOYSA-N 1 0 342.399 2.159 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716898 468971943 /nfs/dbraw/zinc/97/19/43/468971943.db2.gz VJQCPDUJQJLTBE-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000610505868 468989011 /nfs/dbraw/zinc/98/90/11/468989011.db2.gz ZNXMJTLKOYXONA-HZPDHXFCSA-N 1 0 330.388 2.235 20 5 EEBDRO C[C@@H]1COCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602657163 468992292 /nfs/dbraw/zinc/99/22/92/468992292.db2.gz XIQBQSBKTKXZOM-KGLIPLIRSA-N 1 0 334.420 2.221 20 5 EEBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000562593338 469000049 /nfs/dbraw/zinc/00/00/49/469000049.db2.gz ISXCTDTUCNWIJE-MJBXVCDLSA-N 1 0 337.424 2.169 20 5 EEBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602683086 469009338 /nfs/dbraw/zinc/00/93/38/469009338.db2.gz HPGRIKTVPXLPPQ-PBHICJAKSA-N 1 0 330.388 2.381 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000602684235 469010242 /nfs/dbraw/zinc/01/02/42/469010242.db2.gz NIFRQJPXDPKHCW-HNNXBMFYSA-N 1 0 341.411 2.474 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC000595810011 469023965 /nfs/dbraw/zinc/02/39/65/469023965.db2.gz VNWXYHHTWKEIMU-UHFFFAOYSA-N 1 0 333.432 2.182 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCCc2cn[nH]c21)Nc1ccccc1[N+](=O)[O-] ZINC000573236555 469089365 /nfs/dbraw/zinc/08/93/65/469089365.db2.gz DKQRFDAFTRWTMZ-ZDUSSCGKSA-N 1 0 329.360 2.314 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595935169 469090596 /nfs/dbraw/zinc/09/05/96/469090596.db2.gz AOYBHGPMFLWBLU-ZDUSSCGKSA-N 1 0 349.435 2.122 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000602817933 469095923 /nfs/dbraw/zinc/09/59/23/469095923.db2.gz KKMGXXASLZSLEB-ZDUSSCGKSA-N 1 0 349.366 2.177 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595961120 469098730 /nfs/dbraw/zinc/09/87/30/469098730.db2.gz JFHKJMUCKYHJPV-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000602830747 469103923 /nfs/dbraw/zinc/10/39/23/469103923.db2.gz WQXAHGBXVDXNLW-UHFFFAOYSA-N 1 0 335.408 2.147 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(c2ccccc2)C1 ZINC000601964860 469117121 /nfs/dbraw/zinc/11/71/21/469117121.db2.gz QPGCHXKFIHVQDE-INIZCTEOSA-N 1 0 328.368 2.434 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601975511 469122944 /nfs/dbraw/zinc/12/29/44/469122944.db2.gz QBFLBDCYIMTYKH-DYVFJYSZSA-N 1 0 332.404 2.045 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([NH2+]CCO)CC2)o1 ZINC000602020472 469148963 /nfs/dbraw/zinc/14/89/63/469148963.db2.gz LXIYJSKGAQQTAK-UHFFFAOYSA-N 1 0 345.399 2.401 20 5 EEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596172382 469185340 /nfs/dbraw/zinc/18/53/40/469185340.db2.gz VZDXFQAGCKKQAB-LBPRGKRZSA-N 1 0 342.403 2.605 20 5 EEBDRO CC[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000602984007 469206284 /nfs/dbraw/zinc/20/62/84/469206284.db2.gz ZJTDAPKWFZWCTO-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596463458 469275453 /nfs/dbraw/zinc/27/54/53/469275453.db2.gz ZYYUFVHCTORQRS-OAHLLOKOSA-N 1 0 341.415 2.325 20 5 EEBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602423805 469310413 /nfs/dbraw/zinc/31/04/13/469310413.db2.gz HMELRQFEKYWQBI-JTQLQIEISA-N 1 0 331.294 2.311 20 5 EEBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599624075 469313793 /nfs/dbraw/zinc/31/37/93/469313793.db2.gz QJOAZASQPONZBJ-DGCLKSJQSA-N 1 0 330.331 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3ccccc3)CC2)cn1 ZINC000602547914 469356744 /nfs/dbraw/zinc/35/67/44/469356744.db2.gz UYFKHEUORJVSKD-KRWDZBQOSA-N 1 0 342.399 2.282 20 5 EEBDRO C[C@H]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602551056 469358587 /nfs/dbraw/zinc/35/85/87/469358587.db2.gz BOFUSUBUELJJKV-IUCAKERBSA-N 1 0 342.193 2.228 20 5 EEBDRO Cc1cncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602581677 469370158 /nfs/dbraw/zinc/37/01/58/469370158.db2.gz ZQXCSLKFQSTJBB-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000604543999 469489999 /nfs/dbraw/zinc/48/99/99/469489999.db2.gz HJUBPUROCJDWRM-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608905839 469885715 /nfs/dbraw/zinc/88/57/15/469885715.db2.gz KVJYDJIDUPHEOW-INIZCTEOSA-N 1 0 342.399 2.246 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000609386459 469924313 /nfs/dbraw/zinc/92/43/13/469924313.db2.gz UJCRLEAWCNLKGB-HNNXBMFYSA-N 1 0 335.404 2.424 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386305 469924451 /nfs/dbraw/zinc/92/44/51/469924451.db2.gz ONQSWEDLFHBBLL-KBPBESRZSA-N 1 0 334.420 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(CN[C@]3(CO)CCc4ccccc43)nc2c1 ZINC000618287138 469951096 /nfs/dbraw/zinc/95/10/96/469951096.db2.gz FUTNGGBKZDYMLE-SFHVURJKSA-N 1 0 338.367 2.395 20 5 EEBDRO O=[N+]([O-])c1ncccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000610160516 469985074 /nfs/dbraw/zinc/98/50/74/469985074.db2.gz UQCQLQKULKQJPP-KRWDZBQOSA-N 1 0 328.372 2.039 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000600824703 485629546 /nfs/dbraw/zinc/62/95/46/485629546.db2.gz NIGWHHLYBGMNBE-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO CCc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604303667 485646823 /nfs/dbraw/zinc/64/68/23/485646823.db2.gz FMKDBYGJIYTDJI-ZIAGYGMSSA-N 1 0 339.399 2.270 20 5 EEBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189901121 527978922 /nfs/dbraw/zinc/97/89/22/527978922.db2.gz SADUGQRTFPIQCX-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420248767 528948737 /nfs/dbraw/zinc/94/87/37/528948737.db2.gz WYCXSUAFZOBHNY-SNVBAGLBSA-N 1 0 347.462 2.250 20 5 EEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183912880 528989130 /nfs/dbraw/zinc/98/91/30/528989130.db2.gz HDXWDGKNMNLJJL-AWEZNQCLSA-N 1 0 345.403 2.204 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264172039 535524713 /nfs/dbraw/zinc/52/47/13/535524713.db2.gz KXKMZRSNCOSMPE-UHFFFAOYSA-N 1 0 341.383 2.164 20 5 EEBDRO C[NH2+][C@H](C)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261725434 536391618 /nfs/dbraw/zinc/39/16/18/536391618.db2.gz LCDIMSXABLPSRY-SECBINFHSA-N 1 0 348.325 2.140 20 5 EEBDRO COC1CCC([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000265167857 536731615 /nfs/dbraw/zinc/73/16/15/536731615.db2.gz AQNJGGAWSIVQEE-UHFFFAOYSA-N 1 0 347.415 2.373 20 5 EEBDRO COc1cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000425357882 536759894 /nfs/dbraw/zinc/75/98/94/536759894.db2.gz PODIEGZFNNYUOB-SWLSCSKDSA-N 1 0 335.404 2.138 20 5 EEBDRO CC[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000727823772 576451675 /nfs/dbraw/zinc/45/16/75/576451675.db2.gz KIYFERMXSKFWCU-GUYCJALGSA-N 1 0 346.387 2.194 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732031675 577142897 /nfs/dbraw/zinc/14/28/97/577142897.db2.gz GDLIWQQZCYFEBV-AWEZNQCLSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804118 577231112 /nfs/dbraw/zinc/23/11/12/577231112.db2.gz QMLNSXLHDLQBFY-TVQRCGJNSA-N 1 0 341.795 2.326 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000770372548 577594860 /nfs/dbraw/zinc/59/48/60/577594860.db2.gz VQZDRIRUYQTMOH-UHFFFAOYSA-N 1 0 336.344 2.009 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749691716 577980095 /nfs/dbraw/zinc/98/00/95/577980095.db2.gz RGDAIANPSAXCIW-INIZCTEOSA-N 1 0 331.328 2.369 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000234393943 676845990 /nfs/dbraw/zinc/84/59/90/676845990.db2.gz JPNHWKCSZMYPBE-VIFPVBQESA-N 1 0 329.198 2.188 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000891849687 676862905 /nfs/dbraw/zinc/86/29/05/676862905.db2.gz UZVGYMXVLLMXNZ-AWEZNQCLSA-N 1 0 334.420 2.481 20 5 EEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121279880 677883832 /nfs/dbraw/zinc/88/38/32/677883832.db2.gz NZMASPJTLBYCQU-CQSZACIVSA-N 1 0 345.403 2.011 20 5 EEBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000892479236 680052860 /nfs/dbraw/zinc/05/28/60/680052860.db2.gz WLYCHHDFKSXGBW-CQSZACIVSA-N 1 0 334.420 2.481 20 5 EEBDRO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892902818 683182023 /nfs/dbraw/zinc/18/20/23/683182023.db2.gz UQXFDLKQZYEERJ-KBPBESRZSA-N 1 0 334.420 2.339 20 5 EEBDRO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CN(C)CCN1C ZINC000895247504 684384081 /nfs/dbraw/zinc/38/40/81/684384081.db2.gz UYWQXVYSERSHCV-MFKMUULPSA-N 1 0 335.433 2.251 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000895566170 684647702 /nfs/dbraw/zinc/64/77/02/684647702.db2.gz CBPYCDJZKZGUAR-OKILXGFUSA-N 1 0 349.431 2.441 20 5 EEBDRO CCn1cnc2c1CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000897336627 687139268 /nfs/dbraw/zinc/13/92/68/687139268.db2.gz JGXXIJWOKKKTDB-UHFFFAOYSA-N 1 0 346.387 2.387 20 5 EEBDRO C[N@@H+](Cc1cccc(F)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964532 688719208 /nfs/dbraw/zinc/71/92/08/688719208.db2.gz NROQGUJEVLBMSC-IAGOWNOFSA-N 1 0 349.406 2.161 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001105467399 1187537061 /nfs/dbraw/zinc/53/70/61/1187537061.db2.gz MVAFPXDNYWHMOY-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CCc1ncsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128894167 1195992167 /nfs/dbraw/zinc/99/21/67/1195992167.db2.gz FHEULVHEAXSRTO-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO Cc1c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873149244 1198514052 /nfs/dbraw/zinc/51/40/52/1198514052.db2.gz ADHSFVBJGMFAGM-LBPRGKRZSA-N 1 0 329.282 2.388 20 5 EEBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000809973821 1199168297 /nfs/dbraw/zinc/16/82/97/1199168297.db2.gz BEKCCEGDWOPREV-ZDUSSCGKSA-N 1 0 335.187 2.485 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876568403 1199674127 /nfs/dbraw/zinc/67/41/27/1199674127.db2.gz MAYZNIXGNPFRKD-ZANVPECISA-N 1 0 329.759 2.154 20 5 EEBDRO COCC1=CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878454924 1200478413 /nfs/dbraw/zinc/47/84/13/1200478413.db2.gz KYCNJHUHBXPALN-UHFFFAOYSA-N 1 0 330.344 2.423 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528816 1201126376 /nfs/dbraw/zinc/12/63/76/1201126376.db2.gz BTODRIWWRIUMFX-BETUJISGSA-N 1 0 331.372 2.440 20 5 EEBDRO CC(C)(O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879627844 1201179022 /nfs/dbraw/zinc/17/90/22/1201179022.db2.gz USBYYZYVZCJGDC-UHFFFAOYSA-N 1 0 335.404 2.406 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000879962285 1201325593 /nfs/dbraw/zinc/32/55/93/1201325593.db2.gz LVSLZBIWPGPOGU-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880210189 1201422754 /nfs/dbraw/zinc/42/27/54/1201422754.db2.gz NTPGNCQVHQMXOI-MRXNPFEDSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000866346914 1201497700 /nfs/dbraw/zinc/49/77/00/1201497700.db2.gz DQMGRNMCCVLYIZ-ZDUSSCGKSA-N 1 0 337.395 2.119 20 5 EEBDRO COc1ccc(C[N@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000880570109 1201525411 /nfs/dbraw/zinc/52/54/11/1201525411.db2.gz PCGYNZRPNJWOML-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203948 1201753767 /nfs/dbraw/zinc/75/37/67/1201753767.db2.gz WDJKSNUTAHGBSF-ZBFHGGJFSA-N 1 0 329.404 2.318 20 5 EEBDRO CS[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000882200406 1201830152 /nfs/dbraw/zinc/83/01/52/1201830152.db2.gz HYTLAXGVTZXDAZ-NEPJUHHUSA-N 1 0 326.397 2.145 20 5 EEBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])c(N)cc1OC ZINC000800213905 1202221805 /nfs/dbraw/zinc/22/18/05/1202221805.db2.gz ADZYFNGJXMDMEG-UHFFFAOYSA-N 1 0 325.365 2.074 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000886229700 1202482694 /nfs/dbraw/zinc/48/26/94/1202482694.db2.gz UTGRXRDZXCFJBR-YPMHNXCESA-N 1 0 346.330 2.216 20 5 EEBDRO C[NH+](C)CCCC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095441758 1205758495 /nfs/dbraw/zinc/75/84/95/1205758495.db2.gz VLQNUVCFLORSGB-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000931725614 1207449782 /nfs/dbraw/zinc/44/97/82/1207449782.db2.gz AUMXVJLYFHCDBH-DZGCQCFKSA-N 1 0 343.387 2.313 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704573 1207660738 /nfs/dbraw/zinc/66/07/38/1207660738.db2.gz LIVNTSLRUJVODT-IRXDYDNUSA-N 1 0 331.416 2.499 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000934164557 1207914841 /nfs/dbraw/zinc/91/48/41/1207914841.db2.gz YKAHBMXTYHUCIU-QVHKTLOISA-N 1 0 338.408 2.089 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC000934435118 1207962558 /nfs/dbraw/zinc/96/25/58/1207962558.db2.gz BBCNTUQLGJXHHI-NZSAHSFTSA-N 1 0 342.395 2.164 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000935114759 1208097529 /nfs/dbraw/zinc/09/75/29/1208097529.db2.gz SUTIAFLPJRCQRV-LVQVYYBASA-N 1 0 349.456 2.202 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000077164962 1209697775 /nfs/dbraw/zinc/69/77/75/1209697775.db2.gz LIRKKHPDJWGNEC-OAHLLOKOSA-N 1 0 329.404 2.345 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093732 1213632758 /nfs/dbraw/zinc/63/27/58/1213632758.db2.gz PNYKMYZMUMGSDG-XJKSGUPXSA-N 1 0 329.404 2.318 20 5 EEBDRO CCc1ocnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020039226 1229452683 /nfs/dbraw/zinc/45/26/83/1229452683.db2.gz QSPJJMIZAMZVOB-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC(F)(F)C1 ZINC001020058515 1229464457 /nfs/dbraw/zinc/46/44/57/1229464457.db2.gz MPRVTHZGPHOYKT-XYPYZODXSA-N 1 0 345.371 2.438 20 5 EEBDRO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020139048 1229504915 /nfs/dbraw/zinc/50/49/15/1229504915.db2.gz OFGQPQGCLQESNI-QBPKDAKJSA-N 1 0 345.443 2.386 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801909445 1236402181 /nfs/dbraw/zinc/40/21/81/1236402181.db2.gz BWSWWDCWCCTWPW-WDEREUQCSA-N 1 0 338.383 2.261 20 5 EEBDRO CC1(C)CC(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)C1 ZINC001000153798 1240003617 /nfs/dbraw/zinc/00/36/17/1240003617.db2.gz LNKUYCRICXJQDK-HZPDHXFCSA-N 1 0 349.475 2.449 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccc(CF)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001396317 1242189650 /nfs/dbraw/zinc/18/96/50/1242189650.db2.gz PFQMTQDZNNBGEK-IAGOWNOFSA-N 1 0 349.406 2.150 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC001097231196 1243856907 /nfs/dbraw/zinc/85/69/07/1243856907.db2.gz UFCCYWOZRPDNOO-BETUJISGSA-N 1 0 349.435 2.088 20 5 EEBDRO CCCN(CCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC001101194780 1245505553 /nfs/dbraw/zinc/50/55/53/1245505553.db2.gz FYTWDGUSPPGNLO-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000701116237 1276960216 /nfs/dbraw/zinc/96/02/16/1276960216.db2.gz LSMWSNABYSMJKQ-JTQLQIEISA-N 1 0 342.193 2.228 20 5 EEBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850461905 1277234125 /nfs/dbraw/zinc/23/41/25/1277234125.db2.gz LNTSAMQLNUZNKH-VXGBXAGGSA-N 1 0 337.376 2.485 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764845 1293910513 /nfs/dbraw/zinc/91/05/13/1293910513.db2.gz CAUPQLNCGKONPI-MNOVXSKESA-N 1 0 343.330 2.152 20 5 EEBDRO CCN(CC[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859668090 1294587008 /nfs/dbraw/zinc/58/70/08/1294587008.db2.gz SGQQXUQJNAOIGB-UHFFFAOYSA-N 1 0 331.170 2.170 20 5 EEBDRO CC(=O)N(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000863574064 1296341431 /nfs/dbraw/zinc/34/14/31/1296341431.db2.gz VTPLTYYRWKERRP-GOSISDBHSA-N 1 0 343.383 2.401 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CCN(Cc3cncs3)CC2)cc1 ZINC000931362582 1297158273 /nfs/dbraw/zinc/15/82/73/1297158273.db2.gz GOTHNGMNSIOHQN-UHFFFAOYSA-N 1 0 348.428 2.248 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001217967118 1297539368 /nfs/dbraw/zinc/53/93/68/1297539368.db2.gz AIBQDEJTGVJUQB-HQJQHLMTSA-N 1 0 348.140 2.186 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC1=CCOC1=O ZINC001221327597 1298775807 /nfs/dbraw/zinc/77/58/07/1298775807.db2.gz BBJIZMHACYJVAK-SFHVURJKSA-N 1 0 346.386 2.420 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CCC[NH+]2CCCC2)n1 ZINC001101643718 1299715387 /nfs/dbraw/zinc/71/53/87/1299715387.db2.gz WSLHYYXCWSEHAZ-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO C[N+](C)(C)CCCOC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC001224619837 1300671628 /nfs/dbraw/zinc/67/16/28/1300671628.db2.gz SGEPLCOYWDNRRC-UHFFFAOYSA-N 1 0 340.875 2.453 20 5 EEBDRO C[N+](C)(C)CCCOC[C@@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001224620239 1300671829 /nfs/dbraw/zinc/67/18/29/1300671829.db2.gz VXGBFIPKOBTZFT-SFHVURJKSA-N 1 0 345.467 2.053 20 5 EEBDRO COC(=O)Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001226215969 1301303557 /nfs/dbraw/zinc/30/35/57/1301303557.db2.gz FWKAXCKZQZVYIE-UOIKSKOESA-N 1 0 348.399 2.419 20 5 EEBDRO O=C(NC1CC[NH+](CCCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001227257842 1301752185 /nfs/dbraw/zinc/75/21/85/1301752185.db2.gz FZEAKEQUJRJXSB-QZTJIDSGSA-N 1 0 345.443 2.255 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228140597 1302121662 /nfs/dbraw/zinc/12/16/62/1302121662.db2.gz KDRQXCHDTUAWOA-GXTWGEPZSA-N 1 0 344.371 2.380 20 5 EEBDRO COC(=O)c1ncc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001228864715 1302491835 /nfs/dbraw/zinc/49/18/35/1302491835.db2.gz ADJPITSMUZZJIU-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)ccc1-c1ccccc1 ZINC001229834833 1302961620 /nfs/dbraw/zinc/96/16/20/1302961620.db2.gz YHBMUVHQRYTNAF-MRXNPFEDSA-O 1 0 330.404 2.422 20 5 EEBDRO Cc1cnc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001103455653 1302986187 /nfs/dbraw/zinc/98/61/87/1302986187.db2.gz JQEAOECRERMQJU-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783569174 1304299983 /nfs/dbraw/zinc/29/99/83/1304299983.db2.gz DKJQXTZKGVPOLT-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112354179 1304483844 /nfs/dbraw/zinc/48/38/44/1304483844.db2.gz XHAJCACUYYBFSP-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CSCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233672557 1304553647 /nfs/dbraw/zinc/55/36/47/1304553647.db2.gz YXOSWGNUFLOJEU-UHFFFAOYSA-N 1 0 325.434 2.286 20 5 EEBDRO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001233916026 1304639148 /nfs/dbraw/zinc/63/91/48/1304639148.db2.gz KVSHWLDLORBMDP-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001118261600 1306327638 /nfs/dbraw/zinc/32/76/38/1306327638.db2.gz ZISBBDBYUFVUHF-KRWDZBQOSA-N 1 0 346.431 2.151 20 5 EEBDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001121389463 1310003053 /nfs/dbraw/zinc/00/30/53/1310003053.db2.gz SFMCYSSRELEAGE-UHFFFAOYSA-N 1 0 348.407 2.294 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2[C@H](C)C[NH2+]C[C@@H]2C)c1F ZINC001246587641 1310349680 /nfs/dbraw/zinc/34/96/80/1310349680.db2.gz SWOOLLSKQXITBJ-SDDRHHMPSA-N 1 0 325.384 2.356 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246823894 1310440932 /nfs/dbraw/zinc/44/09/32/1310440932.db2.gz HERIKTJLPWOLCS-TUAOUCFPSA-N 1 0 325.384 2.356 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc2[nH]ccc21 ZINC001160741442 1320254810 /nfs/dbraw/zinc/25/48/10/1320254810.db2.gz RFRJKTJSTSSXBN-RKDXNWHRSA-N 1 0 329.282 2.423 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000834642599 1314857062 /nfs/dbraw/zinc/85/70/62/1314857062.db2.gz SMMSFOAKBMYEBZ-MFKMUULPSA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836316264 1314987777 /nfs/dbraw/zinc/98/77/77/1314987777.db2.gz OUOSAQRMOXWGCN-SWLSCSKDSA-N 1 0 332.404 2.439 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284655 1315149028 /nfs/dbraw/zinc/14/90/28/1315149028.db2.gz LLHMKRYWGUSMBK-HZPDHXFCSA-N 1 0 336.388 2.434 20 5 EEBDRO Cc1nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840152153 1315311549 /nfs/dbraw/zinc/31/15/49/1315311549.db2.gz CUYBCSORWDFUSF-ZDUSSCGKSA-N 1 0 332.408 2.020 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161048 1315492859 /nfs/dbraw/zinc/49/28/59/1315492859.db2.gz HYCRXDVZOCXCNR-QMMMGPOBSA-N 1 0 343.181 2.170 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160641 1315492967 /nfs/dbraw/zinc/49/29/67/1315492967.db2.gz CZWNYSORWAVCBK-SECBINFHSA-N 1 0 343.181 2.183 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841855218 1315624748 /nfs/dbraw/zinc/62/47/48/1315624748.db2.gz IMGUQTIAMZCTBD-NXEZZACHSA-N 1 0 326.784 2.127 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843303445 1315885396 /nfs/dbraw/zinc/88/53/96/1315885396.db2.gz REAYNDWVFDFMMP-UHFFFAOYSA-N 1 0 348.359 2.168 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843306545 1315887193 /nfs/dbraw/zinc/88/71/93/1315887193.db2.gz UAQYHKXDQBVBRN-ZYHUDNBSSA-N 1 0 336.348 2.153 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843326611 1315891552 /nfs/dbraw/zinc/89/15/52/1315891552.db2.gz YPPQDBGDZIKRMN-SNVBAGLBSA-N 1 0 329.759 2.140 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843348801 1315896357 /nfs/dbraw/zinc/89/63/57/1315896357.db2.gz ZIFYQZSTYHOWKY-CMPLNLGQSA-N 1 0 336.348 2.059 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000843354149 1315898242 /nfs/dbraw/zinc/89/82/42/1315898242.db2.gz VHOUKOPJUVKQNE-HZMBPMFUSA-N 1 0 340.811 2.246 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC001150158202 1316181686 /nfs/dbraw/zinc/18/16/86/1316181686.db2.gz IPRZZWIYUGRIDF-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO [NH3+]CCOCCc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249159956 1317016490 /nfs/dbraw/zinc/01/64/90/1317016490.db2.gz HQIHRQXGKPGGBB-UHFFFAOYSA-N 1 0 335.367 2.351 20 5 EEBDRO CCOc1nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155459524 1317605838 /nfs/dbraw/zinc/60/58/38/1317605838.db2.gz UDURRKUYDZTGJP-ZDUSSCGKSA-N 1 0 345.403 2.412 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155477138 1317614214 /nfs/dbraw/zinc/61/42/14/1317614214.db2.gz FTUYWUFKKNVNIW-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001156399250 1317996334 /nfs/dbraw/zinc/99/63/34/1317996334.db2.gz RALGQPKDULVDLF-UHFFFAOYSA-N 1 0 343.387 2.246 20 5 EEBDRO CC(=O)NCCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470129 1318082317 /nfs/dbraw/zinc/08/23/17/1318082317.db2.gz PTNNWULSHNWXBX-UHFFFAOYSA-N 1 0 348.447 2.460 20 5 EEBDRO CNC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254475277 1318083366 /nfs/dbraw/zinc/08/33/66/1318083366.db2.gz DSPNJOZNRFZRHS-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001254537663 1318114132 /nfs/dbraw/zinc/11/41/32/1318114132.db2.gz FQQXTKVVULOCKB-CZUORRHYSA-N 1 0 330.384 2.425 20 5 EEBDRO Nc1ccc([C@H](CCO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584257 1318132467 /nfs/dbraw/zinc/13/24/67/1318132467.db2.gz GSBAEYIIFJTWIS-AEFFLSMTSA-N 1 0 327.384 2.358 20 5 EEBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606114 1318142274 /nfs/dbraw/zinc/14/22/74/1318142274.db2.gz DZJCDSOXCZJPFC-DLBZAZTESA-N 1 0 340.383 2.314 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3cnccn3)C1)C2 ZINC001254612468 1318145458 /nfs/dbraw/zinc/14/54/58/1318145458.db2.gz WPAXIFPNGVVCJX-JKSUJKDBSA-N 1 0 326.356 2.005 20 5 EEBDRO Cc1cnc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254611787 1318146257 /nfs/dbraw/zinc/14/62/57/1318146257.db2.gz SYNNBRQPBCROPI-SJORKVTESA-N 1 0 340.383 2.314 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001254888238 1318218787 /nfs/dbraw/zinc/21/87/87/1318218787.db2.gz BFEUMFVZKJCDAG-QWHCGFSZSA-N 1 0 327.331 2.476 20 5 EEBDRO COc1nc(NCCC[N@@H+]2CCCC[C@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001156929358 1318295806 /nfs/dbraw/zinc/29/58/06/1318295806.db2.gz UQFAAKGPZYHMAS-LLVKDONJSA-N 1 0 339.396 2.078 20 5 EEBDRO COc1cc2ncnc(NCC[NH+]3CCSCC3)c2cc1[N+](=O)[O-] ZINC001157043176 1318365364 /nfs/dbraw/zinc/36/53/64/1318365364.db2.gz DXISXYIPNCTZRT-UHFFFAOYSA-N 1 0 349.416 2.007 20 5 EEBDRO COC1(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001157160815 1318450079 /nfs/dbraw/zinc/45/00/79/1318450079.db2.gz QSCAVUBRTULCFG-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO COc1cc(N2CCC([N@H+]3C[C@H]4C[C@@H](C3)O4)CC2)ccc1[N+](=O)[O-] ZINC001256100260 1318648116 /nfs/dbraw/zinc/64/81/16/1318648116.db2.gz CEXNBAOZQNYKCU-GASCZTMLSA-N 1 0 333.388 2.045 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766926 1318845800 /nfs/dbraw/zinc/84/58/00/1318845800.db2.gz BVBZZUUENWTOHV-IAGOWNOFSA-N 1 0 327.384 2.101 20 5 EEBDRO CSc1nc(Cl)nc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001158000998 1318966286 /nfs/dbraw/zinc/96/62/86/1318966286.db2.gz LWYVXQISFSKNHD-UHFFFAOYSA-N 1 0 340.796 2.252 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1 ZINC001158260555 1319121467 /nfs/dbraw/zinc/12/14/67/1319121467.db2.gz FHSOFDSIKCDEAP-AWEZNQCLSA-N 1 0 341.415 2.145 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3cccnc3c2n1 ZINC001159751219 1319979137 /nfs/dbraw/zinc/97/91/37/1319979137.db2.gz ZWAWSHVOBHKZSJ-HUUCEWRRSA-N 1 0 336.395 2.346 20 5 EEBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001160472447 1320171396 /nfs/dbraw/zinc/17/13/96/1320171396.db2.gz DQQYTKAMDYYCFM-RTCCRHLQSA-N 1 0 326.784 2.309 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CCC[C@H]3[NH+]3CCOCC3)nc21 ZINC001160726365 1320250037 /nfs/dbraw/zinc/25/00/37/1320250037.db2.gz SFODYGSPCMCRRD-WCQYABFASA-N 1 0 331.376 2.136 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)nc1Cl ZINC001161276745 1320441781 /nfs/dbraw/zinc/44/17/81/1320441781.db2.gz HJLBSNFKFZZYIY-XYPYZODXSA-N 1 0 340.811 2.427 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001161939677 1320685122 /nfs/dbraw/zinc/68/51/22/1320685122.db2.gz QKSLRHNKTKNDLZ-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO COc1cccc(C2(Nc3ncc([N+](=O)[O-])c(C)n3)CC[NH2+]CC2)c1 ZINC001161997810 1320713105 /nfs/dbraw/zinc/71/31/05/1320713105.db2.gz TVDWHUYFCMJJMK-UHFFFAOYSA-N 1 0 343.387 2.393 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163227351 1321071799 /nfs/dbraw/zinc/07/17/99/1321071799.db2.gz SMMOUBAPQFPZFQ-LLVKDONJSA-N 1 0 348.384 2.403 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c([N+](=O)[O-])c1 ZINC001163272423 1321083618 /nfs/dbraw/zinc/08/36/18/1321083618.db2.gz QMSLAVQUBPBEJW-LBPRGKRZSA-N 1 0 329.316 2.024 20 5 EEBDRO COc1c(F)cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163322230 1321096897 /nfs/dbraw/zinc/09/68/97/1321096897.db2.gz HDOKAVKZNFGJCS-ZUZCIYMTSA-N 1 0 325.340 2.066 20 5 EEBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1F ZINC001163325695 1321098720 /nfs/dbraw/zinc/09/87/20/1321098720.db2.gz XHQPKWRRAULVFP-MEBBXXQBSA-N 1 0 325.340 2.066 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001163583486 1321163558 /nfs/dbraw/zinc/16/35/58/1321163558.db2.gz XCIAMSJOPIKTSW-UHFFFAOYSA-N 1 0 349.416 2.069 20 5 EEBDRO O=[N+]([O-])c1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc2[nH]ccc21 ZINC001164613570 1321435703 /nfs/dbraw/zinc/43/57/03/1321435703.db2.gz YRHNDDXGZRBVTK-AWEZNQCLSA-N 1 0 337.383 2.492 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(-n3ncc4c3CC[NH2+]C4)nn2)ccc1F ZINC001165222658 1321477134 /nfs/dbraw/zinc/47/71/34/1321477134.db2.gz GTXSMABQOCSOPS-UHFFFAOYSA-N 1 0 340.318 2.022 20 5 EEBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001166231129 1321683588 /nfs/dbraw/zinc/68/35/88/1321683588.db2.gz WARRIXIGOXCZFY-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccn2C2CC2)cc1 ZINC001262028437 1322224368 /nfs/dbraw/zinc/22/43/68/1322224368.db2.gz MKYHCLGFNOIORL-UHFFFAOYSA-N 1 0 349.412 2.295 20 5 EEBDRO [NH3+]C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000358762425 1323512607 /nfs/dbraw/zinc/51/26/07/1323512607.db2.gz MDYXWMOIINGDRB-INIZCTEOSA-N 1 0 346.362 2.005 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCC[NH+]1CCCCCC1 ZINC001310518893 1331694181 /nfs/dbraw/zinc/69/41/81/1331694181.db2.gz LMXHQHFBFNMBKU-UHFFFAOYSA-N 1 0 335.408 2.108 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001318540545 1332557543 /nfs/dbraw/zinc/55/75/43/1332557543.db2.gz KNVYAWXVTYFWAC-HIFRSBDPSA-N 1 0 341.433 2.054 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001326339473 1334071988 /nfs/dbraw/zinc/07/19/88/1334071988.db2.gz PABHXEXGRUIMSN-LLVKDONJSA-N 1 0 341.371 2.100 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC001327616059 1334322937 /nfs/dbraw/zinc/32/29/37/1334322937.db2.gz HVHLYDLXNQVFKB-NSHDSACASA-N 1 0 331.376 2.387 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(-c2nn[nH]n2)c1 ZINC001609602169 1352031544 /nfs/dbraw/zinc/03/15/44/1352031544.db2.gz PAOBIRJRJQKNHP-CYBMUJFWSA-N 1 0 343.391 2.204 20 5 EEBDRO C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1=CC[N@H+](C)CC1 ZINC001337505124 1336709307 /nfs/dbraw/zinc/70/93/07/1336709307.db2.gz ZWKLNJBKDSSXSW-GFCCVEGCSA-N 1 0 330.388 2.270 20 5 EEBDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001340969742 1337271001 /nfs/dbraw/zinc/27/10/01/1337271001.db2.gz YZXQALJFBCWKMZ-LLVKDONJSA-N 1 0 344.209 2.347 20 5 EEBDRO [NH3+][C@H]1C[C@@](C(=O)NCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)C1 ZINC001341492657 1337293019 /nfs/dbraw/zinc/29/30/19/1337293019.db2.gz HBKLPLSNJBKRJZ-RUCARUNLSA-N 1 0 339.395 2.313 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC001343251531 1337331448 /nfs/dbraw/zinc/33/14/48/1337331448.db2.gz OGPFFCIZDZPHAV-ZIAGYGMSSA-N 1 0 338.433 2.413 20 5 EEBDRO CN(CC(=O)OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC001350062221 1337671527 /nfs/dbraw/zinc/67/15/27/1337671527.db2.gz FRUQUEHJPVKQEY-GFCCVEGCSA-N 1 0 328.365 2.214 20 5 EEBDRO C[C@@H](O)CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000847103188 1337867960 /nfs/dbraw/zinc/86/79/60/1337867960.db2.gz ZWEAWMPLKOPXOW-SECBINFHSA-N 1 0 327.768 2.032 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC001357208597 1338972272 /nfs/dbraw/zinc/97/22/72/1338972272.db2.gz ARHMCOVUZGWRJW-GDBMZVCRSA-N 1 0 332.331 2.361 20 5 EEBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[NH2+]C1 ZINC001577633665 1344173167 /nfs/dbraw/zinc/17/31/67/1344173167.db2.gz FOMSWYSDFNZORB-AWEZNQCLSA-N 1 0 330.388 2.219 20 5 EEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968026 1344324967 /nfs/dbraw/zinc/32/49/67/1344324967.db2.gz CONRGIDLKZHJRW-KBPBESRZSA-N 1 0 343.391 2.060 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001589134239 1348963120 /nfs/dbraw/zinc/96/31/20/1348963120.db2.gz LNOKAUHACWIJOL-LLVKDONJSA-N 1 0 345.407 2.307 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590624687 1349378920 /nfs/dbraw/zinc/37/89/20/1349378920.db2.gz VOYFITKAKMOJHZ-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO C[NH+]1CCC(C)(CNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604849165 1351018981 /nfs/dbraw/zinc/01/89/81/1351018981.db2.gz CHXGXTGKBOGVFF-UHFFFAOYSA-N 1 0 349.370 2.058 20 5 EEBDRO Cc1c(C[NH2+]Cc2csc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC001605487749 1351169789 /nfs/dbraw/zinc/16/97/89/1351169789.db2.gz CZEZVYXXPAJVJO-UHFFFAOYSA-N 1 0 330.373 2.435 20 5 EEBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605722849 1351217892 /nfs/dbraw/zinc/21/78/92/1351217892.db2.gz COVCLEXSBKLKOC-OCCSQVGLSA-N 1 0 343.391 2.122 20 5 EEBDRO O=[N+]([O-])c1c(NCC2CC[NH+](C3CC3)CC2)cccc1-c1nn[nH]n1 ZINC001607078440 1351407459 /nfs/dbraw/zinc/40/74/59/1351407459.db2.gz ZVKOHRDJGIBAIG-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO Cc1cc(N[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001103652482 1371046465 /nfs/dbraw/zinc/04/64/65/1371046465.db2.gz HZGWHUNOVIZNEH-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000782530109 1371308669 /nfs/dbraw/zinc/30/86/69/1371308669.db2.gz BNSIZAPRQUKMFO-HNNXBMFYSA-N 1 0 339.367 2.419 20 5 EEBDRO COc1cc(Cc2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623496 1373161877 /nfs/dbraw/zinc/16/18/77/1373161877.db2.gz KFXOGLNRERLQOO-SJKOYZFVSA-N 1 0 344.371 2.434 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC001356531546 1373201740 /nfs/dbraw/zinc/20/17/40/1373201740.db2.gz CYIHPESHVRKMQA-QGZVFWFLSA-N 1 0 333.363 2.339 20 5 EEBDRO O=C(O[C@@H]1CCCCC1=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000849195705 1373248086 /nfs/dbraw/zinc/24/80/86/1373248086.db2.gz YEEKJHXYQWJSOD-OAHLLOKOSA-N 1 0 329.312 2.449 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C(F)F)CC1 ZINC001752731710 1406366696 /nfs/dbraw/zinc/36/66/96/1406366696.db2.gz UDRPAIJXVVDCFL-TXEJJXNPSA-N 1 0 339.342 2.377 20 5 EEBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc[nH]1 ZINC001753183743 1406701299 /nfs/dbraw/zinc/70/12/99/1406701299.db2.gz XUXBAWMZEMURIR-SNAWJCMRSA-N 1 0 334.401 2.246 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001577381347 1403642064 /nfs/dbraw/zinc/64/20/64/1403642064.db2.gz ROKSWHZBJLVRQG-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH3+])C1 ZINC001577616757 1403665432 /nfs/dbraw/zinc/66/54/32/1403665432.db2.gz XLXAAGGZMIIFAG-GFCCVEGCSA-N 1 0 330.392 2.048 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC/C=C\c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755471557 1407507220 /nfs/dbraw/zinc/50/72/20/1407507220.db2.gz WXOMOHCREFMSRI-RPJDDHPOSA-N 1 0 343.427 2.240 20 5 EEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc([N+](=O)[O-])n1)C2 ZINC001164809827 720087251 /nfs/dbraw/zinc/08/72/51/720087251.db2.gz KRMKFQCNWYBRDF-QAPCUYQASA-N 1 0 346.431 2.175 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165040569 721892368 /nfs/dbraw/zinc/89/23/68/721892368.db2.gz ZBRVQQUPGNMZOF-MRVPVSSYSA-N 1 0 331.829 2.291 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000128540103 770710738 /nfs/dbraw/zinc/71/07/38/770710738.db2.gz SLTVHRZPORFHKP-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091350142 790345257 /nfs/dbraw/zinc/34/52/57/790345257.db2.gz GPOFSTUECQMKAN-OTVXOJSOSA-N 1 0 334.420 2.242 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127653980 777631591 /nfs/dbraw/zinc/63/15/91/777631591.db2.gz DVCXGCWPOJVJIB-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3(Br)CC3)C2)nc1 ZINC000846827408 790607857 /nfs/dbraw/zinc/60/78/57/790607857.db2.gz USXKQUFKWXGORS-JTQLQIEISA-N 1 0 341.209 2.404 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261644010 779616758 /nfs/dbraw/zinc/61/67/58/779616758.db2.gz LLWATBMMVWHCAL-UHFFFAOYSA-N 1 0 348.172 2.226 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000893829631 780207568 /nfs/dbraw/zinc/20/75/68/780207568.db2.gz QWGKKSZDDVKKON-SFHVURJKSA-N 1 0 341.415 2.431 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)nc2c1 ZINC000894057529 780474863 /nfs/dbraw/zinc/47/48/63/780474863.db2.gz XSIHRVZMAURMFX-KEQNDAMKSA-N 1 0 328.372 2.374 20 5 EEBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840964521 783326717 /nfs/dbraw/zinc/32/67/17/783326717.db2.gz XMOQZTFWWBWSIJ-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000906636996 784039152 /nfs/dbraw/zinc/03/91/52/784039152.db2.gz RCTWOEWLKOZNLQ-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906790827 784161342 /nfs/dbraw/zinc/16/13/42/784161342.db2.gz JHTKHGIDBHYTMM-JOYOIKCWSA-N 1 0 340.811 2.243 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001170874956 784879396 /nfs/dbraw/zinc/87/93/96/784879396.db2.gz PYYLPPPZVDNWGA-UKRRQHHQSA-N 1 0 329.356 2.311 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818563894 785294062 /nfs/dbraw/zinc/29/40/62/785294062.db2.gz VRZHQCKBHTWPHP-BDAKNGLRSA-N 1 0 329.759 2.126 20 5 EEBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000819045396 785374164 /nfs/dbraw/zinc/37/41/64/785374164.db2.gz AWOGIKIESPPIJZ-IRXDYDNUSA-N 1 0 341.367 2.023 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000996429246 786395888 /nfs/dbraw/zinc/39/58/88/786395888.db2.gz NOJZUTNWABKWPJ-HUUCEWRRSA-N 1 0 337.807 2.086 20 5 EEBDRO Cc1ccc(N2CC=C(CNC(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001127749201 786779122 /nfs/dbraw/zinc/77/91/22/786779122.db2.gz BRIUUEVBMFRLGY-UHFFFAOYSA-N 1 0 346.431 2.108 20 5 EEBDRO O=C(c1cc[nH]c1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996635263 786899217 /nfs/dbraw/zinc/89/92/17/786899217.db2.gz VINZJNMWOIXPJE-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO O=C(c1ccns1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996641108 786933527 /nfs/dbraw/zinc/93/35/27/786933527.db2.gz ZMMCBDGDJSWIKL-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000825196363 788521624 /nfs/dbraw/zinc/52/16/24/788521624.db2.gz DTIQOBMSTHLXMQ-DGCLKSJQSA-N 1 0 345.193 2.251 20 5 EEBDRO C[C@@H]1CCC[C@](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000825384014 788602313 /nfs/dbraw/zinc/60/23/13/788602313.db2.gz FFVVAWYECSHUHZ-SKDZVZGDSA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843840923 788704571 /nfs/dbraw/zinc/70/45/71/788704571.db2.gz HOFXAYNCTQLRNS-CYBMUJFWSA-N 1 0 348.447 2.463 20 5 EEBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000921533147 789069825 /nfs/dbraw/zinc/06/98/25/789069825.db2.gz KVUVMLGWIQADRG-NSHDSACASA-N 1 0 345.346 2.007 20 5 EEBDRO COc1nc(C)nc(N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546202 789141642 /nfs/dbraw/zinc/14/16/42/789141642.db2.gz UEAYFJYNDKBDOR-LLVKDONJSA-N 1 0 329.360 2.286 20 5 EEBDRO O=C(c1cnco1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997947992 791734568 /nfs/dbraw/zinc/73/45/68/791734568.db2.gz QCUSUHZJVDLFCJ-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CC(C)Cc1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001127266968 795054857 /nfs/dbraw/zinc/05/48/57/795054857.db2.gz QYZFGPYIKFKDAU-UHFFFAOYSA-N 1 0 345.403 2.036 20 5 EEBDRO C[N@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC001094141385 795992188 /nfs/dbraw/zinc/99/21/88/795992188.db2.gz TXRMVPLHPWMAHP-UHFFFAOYSA-N 1 0 340.399 2.240 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094509715 796337164 /nfs/dbraw/zinc/33/71/64/796337164.db2.gz XIDHKMMQNJABDR-UHFFFAOYSA-N 1 0 340.399 2.384 20 5 EEBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172898978 797128066 /nfs/dbraw/zinc/12/80/66/797128066.db2.gz KDDLPTOYDISJCF-JZXOWHBKSA-N 1 0 329.400 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@]3(CCOC3)C1)CC2 ZINC001172903659 797131393 /nfs/dbraw/zinc/13/13/93/797131393.db2.gz IHTAFDWNKBJPGU-SJLPKXTDSA-N 1 0 332.400 2.334 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3(O)CCC3)CC2)c(F)c1 ZINC001173008446 797195339 /nfs/dbraw/zinc/19/53/39/797195339.db2.gz ZBAGUNMSKKURGE-UHFFFAOYSA-N 1 0 341.358 2.346 20 5 EEBDRO CN(C)CC[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014183 797196959 /nfs/dbraw/zinc/19/69/59/797196959.db2.gz MOUKDVYURRNHDS-UHFFFAOYSA-N 1 0 342.390 2.335 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCOC[C@@H]2F)c1F ZINC001173177351 797277162 /nfs/dbraw/zinc/27/71/62/797277162.db2.gz AZWQQSIRDGJJBL-ADEWGFFLSA-N 1 0 330.331 2.390 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C(=O)N(C)C)C1 ZINC001173219664 797300866 /nfs/dbraw/zinc/30/08/66/797300866.db2.gz OZEITFDGQICDHU-HIFRSBDPSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001173238721 797324410 /nfs/dbraw/zinc/32/44/10/797324410.db2.gz WQCIAKYNPCERRK-YJBOKZPZSA-N 1 0 333.432 2.322 20 5 EEBDRO Cc1cc(NC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001095228513 797551742 /nfs/dbraw/zinc/55/17/42/797551742.db2.gz KLMDMIBUKPFPGC-UHFFFAOYSA-N 1 0 349.435 2.041 20 5 EEBDRO COc1ccc(Nc2cncc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001176364446 798441391 /nfs/dbraw/zinc/44/13/91/798441391.db2.gz VNAPLZGIAJZECS-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823806237 798768103 /nfs/dbraw/zinc/76/81/03/798768103.db2.gz MOSGZMFTZMKUPV-KOLCDFICSA-N 1 0 341.770 2.411 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001168714054 799929533 /nfs/dbraw/zinc/92/95/33/799929533.db2.gz DVWMTGJYKBXWLY-UHFFFAOYSA-N 1 0 349.354 2.220 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086083246 802111683 /nfs/dbraw/zinc/11/16/83/802111683.db2.gz RXGISPABHWLGNZ-BZZMCLGOSA-N 1 0 345.443 2.460 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965994 803552756 /nfs/dbraw/zinc/55/27/56/803552756.db2.gz FMDNMUXQQXKGNV-JSGCOSHPSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)C1 ZINC001168997259 803563233 /nfs/dbraw/zinc/56/32/33/803563233.db2.gz YGNMFZJCXNWGBY-RDJZCZTQSA-N 1 0 333.432 2.456 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]1C2 ZINC001169006889 803568447 /nfs/dbraw/zinc/56/84/47/803568447.db2.gz ZPZBJABHMZAHGQ-RMEBNNNOSA-N 1 0 339.436 2.419 20 5 EEBDRO O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990392 803573785 /nfs/dbraw/zinc/57/37/85/803573785.db2.gz CGQGXTRWQRFJLS-MCIONIFRSA-N 1 0 335.379 2.075 20 5 EEBDRO O=C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1c1ccsc1 ZINC001169026950 803592470 /nfs/dbraw/zinc/59/24/70/803592470.db2.gz ZJAFVKHNKNKCIC-MYZSUADSSA-N 1 0 335.429 2.373 20 5 EEBDRO O=C1CCc2cc(N3CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)ccc21 ZINC001169054475 803597084 /nfs/dbraw/zinc/59/70/84/803597084.db2.gz MGMWHCQWVKTVRD-GDBMZVCRSA-N 1 0 343.427 2.383 20 5 EEBDRO Cn1cncc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788258817 807452445 /nfs/dbraw/zinc/45/24/45/807452445.db2.gz XWYNLQHQBWHSDC-UHFFFAOYSA-N 1 0 329.404 2.129 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)SC)cc1[N+](=O)[O-] ZINC000788964422 807775231 /nfs/dbraw/zinc/77/52/31/807775231.db2.gz JUKPPJRZOGFAHG-UHFFFAOYSA-N 1 0 342.417 2.378 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ncnn1C ZINC000788982318 807788066 /nfs/dbraw/zinc/78/80/66/807788066.db2.gz HFIXLTAVMJDGCG-LBPRGKRZSA-N 1 0 330.392 2.043 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)Cc1ccccc1 ZINC000791335917 809185043 /nfs/dbraw/zinc/18/50/43/809185043.db2.gz JXQQMALKAGEOAO-UHFFFAOYSA-N 1 0 346.362 2.178 20 5 EEBDRO COc1ccc(C[C@@H](C)n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001170305543 809874905 /nfs/dbraw/zinc/87/49/05/809874905.db2.gz MVJNBLPHDIPXHM-RISCZKNCSA-N 1 0 330.388 2.420 20 5 EEBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170305295 809874992 /nfs/dbraw/zinc/87/49/92/809874992.db2.gz IVCOZFNFDGZEDK-BNOWGMLFSA-N 1 0 336.388 2.466 20 5 EEBDRO CNC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001170313283 809886655 /nfs/dbraw/zinc/88/66/55/809886655.db2.gz KNEUHHLQMLPWSL-IAQYHMDHSA-N 1 0 337.420 2.285 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(Cl)s1 ZINC001131294088 812634693 /nfs/dbraw/zinc/63/46/93/812634693.db2.gz NVIQMBNMXKOYHC-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269193217 290766803 /nfs/dbraw/zinc/76/68/03/290766803.db2.gz HUGSLNBMNGZNBS-KWQFWETISA-N 1 0 342.193 2.167 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420608741 283386862 /nfs/dbraw/zinc/38/68/62/283386862.db2.gz IZPINOGGSHTSQB-WFASDCNBSA-N 1 0 344.415 2.147 20 5 EEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087510 240358450 /nfs/dbraw/zinc/35/84/50/240358450.db2.gz OIFNCSDQKOEBLW-ZWNOBZJWSA-N 1 0 347.337 2.470 20 5 EEBDRO Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000262271208 201202603 /nfs/dbraw/zinc/20/26/03/201202603.db2.gz SNSSDYQIYKPVDH-DLBZAZTESA-N 1 0 325.368 2.470 20 5 EEBDRO C[N@H+]1CC=C(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000273948145 201263885 /nfs/dbraw/zinc/26/38/85/201263885.db2.gz MLXILGLUSMTOIS-UHFFFAOYSA-N 1 0 327.182 2.426 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000081364339 201356236 /nfs/dbraw/zinc/35/62/36/201356236.db2.gz GKPWYTHUQXOZAA-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO O=C(CCN1CC[NH+](C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045768854 202556616 /nfs/dbraw/zinc/55/66/16/202556616.db2.gz XAFZCRKCZQJYJX-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000193288301 240089561 /nfs/dbraw/zinc/08/95/61/240089561.db2.gz VCSCFLFUVJCTSQ-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO O=C([C@H]1CC12CC[NH2+]CC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719003 240583024 /nfs/dbraw/zinc/58/30/24/240583024.db2.gz DTBDOZXGDYFKQE-OAHLLOKOSA-N 1 0 329.400 2.476 20 5 EEBDRO CN1C(=O)NCC12CC[NH+](CC=Cc1ccccc1[N+](=O)[O-])CC2 ZINC000425369141 241140926 /nfs/dbraw/zinc/14/09/26/241140926.db2.gz GJLXVGSMNOABOG-XQRVVYSFSA-N 1 0 330.388 2.098 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000426782304 241338781 /nfs/dbraw/zinc/33/87/81/241338781.db2.gz GDTRKSDPLGBJFW-MRXNPFEDSA-N 1 0 346.431 2.448 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447505878 242282149 /nfs/dbraw/zinc/28/21/49/242282149.db2.gz BAALNZXZIYWFGI-SCVCMEIPSA-N 1 0 341.795 2.272 20 5 EEBDRO COc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542062 242287175 /nfs/dbraw/zinc/28/71/75/242287175.db2.gz NWMPROWZSIYKLN-ZIAGYGMSSA-N 1 0 331.376 2.468 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499065 243136304 /nfs/dbraw/zinc/13/63/04/243136304.db2.gz LELXHMUTIPPOBM-KNXALSJPSA-N 1 0 335.404 2.491 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451637247 243185943 /nfs/dbraw/zinc/18/59/43/243185943.db2.gz XIWZQEHMQHKDHU-CORIIIEPSA-N 1 0 343.387 2.342 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000070036962 203072120 /nfs/dbraw/zinc/07/21/20/203072120.db2.gz MXACZRUCDRZSSA-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456289027 244207355 /nfs/dbraw/zinc/20/73/55/244207355.db2.gz XBHDHPFBWGMHEM-CQSZACIVSA-N 1 0 343.387 2.438 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072833953 203246724 /nfs/dbraw/zinc/24/67/24/203246724.db2.gz LANVXTPAXVTAOD-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO CC1(C)Cc2ccsc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459587244 245178761 /nfs/dbraw/zinc/17/87/61/245178761.db2.gz UZODBUVUUMWRDE-ZDUSSCGKSA-N 1 0 336.417 2.051 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1SC ZINC000104184369 204100642 /nfs/dbraw/zinc/10/06/42/204100642.db2.gz GLHAXCWHKRYGSA-SNVBAGLBSA-N 1 0 339.417 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000108349589 204259242 /nfs/dbraw/zinc/25/92/42/204259242.db2.gz RFERXROLBBQENF-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111230172 204343630 /nfs/dbraw/zinc/34/36/30/204343630.db2.gz VCPWGHKZTSRJJE-UHFFFAOYSA-N 1 0 349.431 2.214 20 5 EEBDRO CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000128199310 205137159 /nfs/dbraw/zinc/13/71/59/205137159.db2.gz GDFZFTLGSHURJJ-MRXNPFEDSA-N 1 0 335.404 2.168 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000136836014 205514435 /nfs/dbraw/zinc/51/44/35/205514435.db2.gz OSIBIJLUQWBRQS-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000159213588 206231185 /nfs/dbraw/zinc/23/11/85/206231185.db2.gz LNKNGMMGXMFVMA-OAHLLOKOSA-N 1 0 332.404 2.052 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000160396342 206295142 /nfs/dbraw/zinc/29/51/42/206295142.db2.gz PSEVBQGKFSQPOC-AWEZNQCLSA-N 1 0 348.447 2.106 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)nc1 ZINC000249081514 206341377 /nfs/dbraw/zinc/34/13/77/206341377.db2.gz MQPIDYZANFTPCS-GOEBONIOSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000249086900 206343434 /nfs/dbraw/zinc/34/34/34/206343434.db2.gz SIKYZTXDEYPARA-GXTWGEPZSA-N 1 0 326.418 2.162 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249102297 206348113 /nfs/dbraw/zinc/34/81/13/206348113.db2.gz FHWAIKICZGWFIX-GDBMZVCRSA-N 1 0 347.415 2.227 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266210187 248174828 /nfs/dbraw/zinc/17/48/28/248174828.db2.gz XPMITZUZWGAZJI-OAHLLOKOSA-N 1 0 331.416 2.472 20 5 EEBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521109 248342817 /nfs/dbraw/zinc/34/28/17/248342817.db2.gz CPNGUUVVCUEBIG-XHDPSFHLSA-N 1 0 338.795 2.499 20 5 EEBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000266534406 248349019 /nfs/dbraw/zinc/34/90/19/248349019.db2.gz NKYJUQYFOVZHTK-UHFFFAOYSA-N 1 0 334.376 2.238 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000174678969 207045252 /nfs/dbraw/zinc/04/52/52/207045252.db2.gz DEPVXJGKISCDGZ-GXTWGEPZSA-N 1 0 337.807 2.486 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174872785 207067607 /nfs/dbraw/zinc/06/76/07/207067607.db2.gz SIBVBISSRDHSKB-MRXNPFEDSA-N 1 0 343.431 2.388 20 5 EEBDRO CC(C)OC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802826 207061610 /nfs/dbraw/zinc/06/16/10/207061610.db2.gz RGCPNKXQTAWCNJ-HNNXBMFYSA-N 1 0 338.404 2.224 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175311475 207114032 /nfs/dbraw/zinc/11/40/32/207114032.db2.gz WSSXZYOTKMRGCS-KRWDZBQOSA-N 1 0 349.431 2.346 20 5 EEBDRO CCc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000175834176 207165136 /nfs/dbraw/zinc/16/51/36/207165136.db2.gz WDPVXBDTXNIARK-UHFFFAOYSA-N 1 0 347.415 2.094 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177085014 207291225 /nfs/dbraw/zinc/29/12/25/207291225.db2.gz ZUJQQOVPDWYWKL-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000267056607 256022643 /nfs/dbraw/zinc/02/26/43/256022643.db2.gz HRDPIXBZGONAEK-UHFFFAOYSA-N 1 0 338.371 2.457 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000267077330 256024645 /nfs/dbraw/zinc/02/46/45/256024645.db2.gz OZBOUOBHJPHDKU-UHFFFAOYSA-N 1 0 342.359 2.260 20 5 EEBDRO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000267162398 256033440 /nfs/dbraw/zinc/03/34/40/256033440.db2.gz AITFXYAUROMCSO-UHFFFAOYSA-N 1 0 334.420 2.430 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000267512065 256065327 /nfs/dbraw/zinc/06/53/27/256065327.db2.gz MCAIDWBWYKFAGY-OCCSQVGLSA-N 1 0 342.403 2.432 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000270457522 256137350 /nfs/dbraw/zinc/13/73/50/256137350.db2.gz LTZVVEAFYAZZBE-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO C[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000273047651 256260835 /nfs/dbraw/zinc/26/08/35/256260835.db2.gz WKRAWHNMGBHSHL-HNNXBMFYSA-N 1 0 325.796 2.297 20 5 EEBDRO COCCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274021730 256346796 /nfs/dbraw/zinc/34/67/96/256346796.db2.gz LQHOEZKWUCYFKX-UHFFFAOYSA-N 1 0 347.419 2.410 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165890376 143820983 /nfs/dbraw/zinc/82/09/83/143820983.db2.gz OVZLXJHKDDQDML-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348158796 144744442 /nfs/dbraw/zinc/74/44/42/144744442.db2.gz IGFUKMNGMDNHNR-JSGCOSHPSA-N 1 0 349.387 2.034 20 5 EEBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051402165 292133277 /nfs/dbraw/zinc/13/32/77/292133277.db2.gz DCSRXRVMJJPXHU-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115564194 152031317 /nfs/dbraw/zinc/03/13/17/152031317.db2.gz QEDVCJGAENVYCF-UHFFFAOYSA-N 1 0 347.371 2.384 20 5 EEBDRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465219 152167269 /nfs/dbraw/zinc/16/72/69/152167269.db2.gz JTUPCUZEANPHMM-CYBMUJFWSA-N 1 0 330.392 2.027 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000252441530 160391655 /nfs/dbraw/zinc/39/16/55/160391655.db2.gz NHLSEIVVVUQRSE-WDEREUQCSA-N 1 0 348.359 2.447 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261896345 160425377 /nfs/dbraw/zinc/42/53/77/160425377.db2.gz VUOWEYHHKWELOJ-RISCZKNCSA-N 1 0 332.404 2.369 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000322282939 160538168 /nfs/dbraw/zinc/53/81/68/160538168.db2.gz RPIWFOQYVMQEKD-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387279 159011411 /nfs/dbraw/zinc/01/14/11/159011411.db2.gz XXMKVACTYBPURW-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000101571246 159253189 /nfs/dbraw/zinc/25/31/89/159253189.db2.gz ZMKWDAMTKHSHTL-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189789589 160149335 /nfs/dbraw/zinc/14/93/35/160149335.db2.gz MSKFTNCJPWJGII-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@]12CCOC2 ZINC000341930264 161025108 /nfs/dbraw/zinc/02/51/08/161025108.db2.gz CGPROSRQXCZXMM-QGZVFWFLSA-N 1 0 347.371 2.148 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000341976485 161028839 /nfs/dbraw/zinc/02/88/39/161028839.db2.gz XWNCJNBASRDTFL-JTQLQIEISA-N 1 0 349.478 2.363 20 5 EEBDRO COc1cc(C[NH2+]C[C@](C)(CO)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000342222219 161048612 /nfs/dbraw/zinc/04/86/12/161048612.db2.gz HPMXYWCUKPWUDG-GOSISDBHSA-N 1 0 346.383 2.349 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343267659 161118708 /nfs/dbraw/zinc/11/87/08/161118708.db2.gz SSABHHWTDFTSFM-NWDGAFQWSA-N 1 0 328.372 2.433 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000344398324 161223483 /nfs/dbraw/zinc/22/34/83/161223483.db2.gz WEZBYTASZMWRSO-UHFFFAOYSA-N 1 0 332.404 2.398 20 5 EEBDRO C[NH+](C)C1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000345167911 161278418 /nfs/dbraw/zinc/27/84/18/161278418.db2.gz QHIRLZIUSSKSGP-UHFFFAOYSA-N 1 0 329.809 2.113 20 5 EEBDRO COc1cc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000351977697 162011384 /nfs/dbraw/zinc/01/13/84/162011384.db2.gz JNCGPBNBOOVFME-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CCO)Cc1cnn(CC)c1 ZINC000355568512 163233693 /nfs/dbraw/zinc/23/36/93/163233693.db2.gz QAUPUGZCFDABLE-UHFFFAOYSA-N 1 0 348.403 2.204 20 5 EEBDRO CC(=O)N[C@@]1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CC[NH2+]C1 ZINC000356892586 163571207 /nfs/dbraw/zinc/57/12/07/163571207.db2.gz LJSGLNXYMUHBQE-INIZCTEOSA-N 1 0 346.412 2.351 20 5 EEBDRO COc1cc(CN(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000359909775 164195200 /nfs/dbraw/zinc/19/52/00/164195200.db2.gz ZACQXIKCRKIXTK-LBPRGKRZSA-N 1 0 345.346 2.374 20 5 EEBDRO COc1cc(CN(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000359909773 164195289 /nfs/dbraw/zinc/19/52/89/164195289.db2.gz ZACQXIKCRKIXTK-GFCCVEGCSA-N 1 0 345.346 2.374 20 5 EEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000154554058 292524885 /nfs/dbraw/zinc/52/48/85/292524885.db2.gz QTEGJVMJAUAPJR-INIZCTEOSA-N 1 0 335.404 2.086 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374425947 167041111 /nfs/dbraw/zinc/04/11/11/167041111.db2.gz AUBUOCXQIICSPJ-INIZCTEOSA-N 1 0 346.431 2.265 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376575663 167353419 /nfs/dbraw/zinc/35/34/19/167353419.db2.gz WDZDGUIIKRGTCE-HOTGVXAUSA-N 1 0 346.431 2.406 20 5 EEBDRO COC(=O)c1cnc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277948138 269200585 /nfs/dbraw/zinc/20/05/85/269200585.db2.gz SGRMJVJGQHEUDS-UHFFFAOYSA-N 1 0 334.376 2.063 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000279310162 269270024 /nfs/dbraw/zinc/27/00/24/269270024.db2.gz RFQCWNWWSUMAMD-HIFRSBDPSA-N 1 0 335.404 2.373 20 5 EEBDRO Cn1cc(C[NH2+]CCN2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279920484 269316051 /nfs/dbraw/zinc/31/60/51/269316051.db2.gz XHSZSHGDXBTUJV-UHFFFAOYSA-N 1 0 341.415 2.347 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cn1 ZINC000280309581 269349375 /nfs/dbraw/zinc/34/93/75/269349375.db2.gz GHKPRCPLSSVUCR-VIFPVBQESA-N 1 0 340.181 2.300 20 5 EEBDRO Cc1cn(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)nc1[N+](=O)[O-] ZINC000280458992 269364077 /nfs/dbraw/zinc/36/40/77/269364077.db2.gz WPZCJGCXBIUTSH-CYBMUJFWSA-N 1 0 329.360 2.127 20 5 EEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000283469459 269546680 /nfs/dbraw/zinc/54/66/80/269546680.db2.gz JQVAGFKJFWOFRN-UHFFFAOYSA-N 1 0 342.403 2.065 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261596940 273500771 /nfs/dbraw/zinc/50/07/71/273500771.db2.gz YWSQXYFOIYGXFT-LLVKDONJSA-N 1 0 344.209 2.461 20 5 EEBDRO CN(C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183802517 274017290 /nfs/dbraw/zinc/01/72/90/274017290.db2.gz OSOLTWWRAFCXJI-UHFFFAOYSA-N 1 0 340.811 2.484 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000191680345 274049942 /nfs/dbraw/zinc/04/99/42/274049942.db2.gz YTYYYEOCMSAHNV-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784922 274151503 /nfs/dbraw/zinc/15/15/03/274151503.db2.gz MGSQAWVSYBOHIM-SKDRFNHKSA-N 1 0 342.758 2.296 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274740042 274219621 /nfs/dbraw/zinc/21/96/21/274219621.db2.gz VLULSBZFVIQZTO-HZMBPMFUSA-N 1 0 331.376 2.048 20 5 EEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275304911 274238981 /nfs/dbraw/zinc/23/89/81/274238981.db2.gz BEOCGJXAYBZQQX-ZDUSSCGKSA-N 1 0 348.447 2.092 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912593 274344156 /nfs/dbraw/zinc/34/41/56/274344156.db2.gz SPZMHFAXCHDMOI-IAQYHMDHSA-N 1 0 340.383 2.356 20 5 EEBDRO CC[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000279004005 274426643 /nfs/dbraw/zinc/42/66/43/274426643.db2.gz MOCPUGFYJUQEHW-TZMCWYRMSA-N 1 0 343.387 2.276 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000279243277 274459654 /nfs/dbraw/zinc/45/96/54/274459654.db2.gz KJAHKRGWUNNUQW-BBRMVZONSA-N 1 0 335.404 2.373 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2c(C)noc2C)CC1 ZINC000288075454 275020884 /nfs/dbraw/zinc/02/08/84/275020884.db2.gz HHYFMJUENYOGMZ-UHFFFAOYSA-N 1 0 348.407 2.047 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289582812 275129856 /nfs/dbraw/zinc/12/98/56/275129856.db2.gz RLEMDZBPKAFWLW-SNVBAGLBSA-N 1 0 348.230 2.400 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)C3CCCC3)n2)c1 ZINC000289680893 275138532 /nfs/dbraw/zinc/13/85/32/275138532.db2.gz XAGRMVIKQAVQQN-AWEZNQCLSA-N 1 0 332.360 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)nc1 ZINC000290064739 275175791 /nfs/dbraw/zinc/17/57/91/275175791.db2.gz KRLXJEDKPWLKDS-UHFFFAOYSA-N 1 0 329.360 2.305 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000290161583 275185409 /nfs/dbraw/zinc/18/54/09/275185409.db2.gz DFBLAHOYQVMUPA-LBPRGKRZSA-N 1 0 344.433 2.467 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290865322 275247303 /nfs/dbraw/zinc/24/73/03/275247303.db2.gz CBBGIVSQSASWRT-GFCCVEGCSA-N 1 0 332.404 2.464 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290979024 275257573 /nfs/dbraw/zinc/25/75/73/275257573.db2.gz YHZSPBMOZIPYAV-GFCCVEGCSA-N 1 0 345.186 2.458 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291668961 275328125 /nfs/dbraw/zinc/32/81/25/275328125.db2.gz BDBVYLBDUGUYER-OCCSQVGLSA-N 1 0 343.387 2.019 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449749988 275879062 /nfs/dbraw/zinc/87/90/62/275879062.db2.gz RQNJUYDWVRVMCY-HNNXBMFYSA-N 1 0 332.404 2.065 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150880567 277017215 /nfs/dbraw/zinc/01/72/15/277017215.db2.gz VOJOXNMNCAZSPL-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000449601326 287931938 /nfs/dbraw/zinc/93/19/38/287931938.db2.gz RCIDEQRTYNNPQV-AWEZNQCLSA-N 1 0 334.420 2.298 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000173336369 278744313 /nfs/dbraw/zinc/74/43/13/278744313.db2.gz XAKCGKBDEOIATN-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000368949937 280363490 /nfs/dbraw/zinc/36/34/90/280363490.db2.gz KQZULESQIXGHDX-QZTJIDSGSA-N 1 0 333.432 2.370 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000294055321 293359374 /nfs/dbraw/zinc/35/93/74/293359374.db2.gz YLEDIWZAHLLPIL-UHFFFAOYSA-N 1 0 337.424 2.437 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000295343638 293690018 /nfs/dbraw/zinc/69/00/18/293690018.db2.gz YIZFPPMSWGDDPF-ZDUSSCGKSA-N 1 0 334.420 2.442 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296051938 293880797 /nfs/dbraw/zinc/88/07/97/293880797.db2.gz FSQPAKVOHWRXBG-XYPHTWIQSA-N 1 0 345.399 2.389 20 5 EEBDRO COC(=O)Cc1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000297026582 294133068 /nfs/dbraw/zinc/13/30/68/294133068.db2.gz HCIXGVXKFGVCGC-AWEZNQCLSA-N 1 0 335.404 2.088 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH2+]CC2)cc1SC ZINC000297236045 294188615 /nfs/dbraw/zinc/18/86/15/294188615.db2.gz PJQOHGZFNWXUJQ-UHFFFAOYSA-N 1 0 339.417 2.055 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367520 294428840 /nfs/dbraw/zinc/42/88/40/294428840.db2.gz MQTYVIIRJAGIQK-IIAWOOMASA-N 1 0 329.404 2.277 20 5 EEBDRO NC(=O)c1c[nH+]ccc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000302168484 294937022 /nfs/dbraw/zinc/93/70/22/294937022.db2.gz SQXUYMNNNUVMHW-UHFFFAOYSA-N 1 0 342.355 2.137 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423715026 295284700 /nfs/dbraw/zinc/28/47/00/295284700.db2.gz GXWMBEQUPSMIOW-STQMWFEESA-N 1 0 333.388 2.065 20 5 EEBDRO O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533352 304624900 /nfs/dbraw/zinc/62/49/00/304624900.db2.gz QYGBKRSKPHTIPQ-HUUCEWRRSA-N 1 0 349.435 2.267 20 5 EEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000325068564 303390222 /nfs/dbraw/zinc/39/02/22/303390222.db2.gz BPQBEHCJBVTDMS-LBPRGKRZSA-N 1 0 347.396 2.236 20 5 EEBDRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605545 311343216 /nfs/dbraw/zinc/34/32/16/311343216.db2.gz JGXRPPKSWSMGQO-GOSISDBHSA-N 1 0 337.379 2.194 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1[NH+](C)C ZINC000331669042 311887929 /nfs/dbraw/zinc/88/79/29/311887929.db2.gz YKQOCNGPPMLKAJ-UONOGXRCSA-N 1 0 348.428 2.194 20 5 EEBDRO Cn1c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000332010482 311936101 /nfs/dbraw/zinc/93/61/01/311936101.db2.gz QNAXWTDPZWHQGS-CYBMUJFWSA-N 1 0 328.372 2.066 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ncccc12 ZINC000368531932 312424595 /nfs/dbraw/zinc/42/45/95/312424595.db2.gz ANGNBERZNRYXRH-NVXWUHKLSA-N 1 0 342.399 2.178 20 5 EEBDRO CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000412222876 312631596 /nfs/dbraw/zinc/63/15/96/312631596.db2.gz SNQOCOKNJVAVAF-FZKCQIBNSA-N 1 0 349.456 2.202 20 5 EEBDRO CCOc1cc(NC(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414755695 313076836 /nfs/dbraw/zinc/07/68/36/313076836.db2.gz IEQZTNOEDVFXHC-UHFFFAOYSA-N 1 0 340.380 2.251 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000417190319 313444434 /nfs/dbraw/zinc/44/44/34/313444434.db2.gz YBILHBLRGJMQLH-CQSZACIVSA-N 1 0 338.408 2.118 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417718975 313576014 /nfs/dbraw/zinc/57/60/14/313576014.db2.gz PDDANDOMJRDOEF-UHFFFAOYSA-N 1 0 349.435 2.147 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000439075568 315066402 /nfs/dbraw/zinc/06/64/02/315066402.db2.gz GUQIUXWNIWYYHC-CAPXZKIUSA-N 1 0 333.388 2.469 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000439621263 315088678 /nfs/dbraw/zinc/08/86/78/315088678.db2.gz CAPPDZGSJCTVFI-SOUVJXGZSA-N 1 0 333.388 2.103 20 5 EEBDRO CN(C)c1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517733127 316686244 /nfs/dbraw/zinc/68/62/44/316686244.db2.gz YOXYXWYAEDQNAE-KRWDZBQOSA-N 1 0 345.399 2.190 20 5 EEBDRO CCCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547311975 318278179 /nfs/dbraw/zinc/27/81/79/318278179.db2.gz RYXVOKUTVNEOKO-ZDUSSCGKSA-N 1 0 343.449 2.432 20 5 EEBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567271632 319365099 /nfs/dbraw/zinc/36/50/99/319365099.db2.gz BZQOROZAIOVCRA-QGZVFWFLSA-N 1 0 347.415 2.497 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000572524515 319853983 /nfs/dbraw/zinc/85/39/83/319853983.db2.gz VRWPKSRULIUJMR-KRWDZBQOSA-N 1 0 341.367 2.107 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000576839260 320209576 /nfs/dbraw/zinc/20/95/76/320209576.db2.gz WQBATVUBJYQOKR-RYUDHWBXSA-N 1 0 331.372 2.169 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000578309270 320306384 /nfs/dbraw/zinc/30/63/84/320306384.db2.gz XWBRVLGYOCIZQU-UHFFFAOYSA-N 1 0 334.376 2.120 20 5 EEBDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000578740623 323695773 /nfs/dbraw/zinc/69/57/73/323695773.db2.gz PLDYYLXRBCXULX-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO CN1CCO[C@H](CSc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000580188844 324012525 /nfs/dbraw/zinc/01/25/25/324012525.db2.gz WFNZVUMBGQRWLJ-QMMMGPOBSA-N 1 0 337.323 2.431 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000580303680 324034472 /nfs/dbraw/zinc/03/44/72/324034472.db2.gz LOJXNAGJYBPMRQ-ZFWWWQNUSA-N 1 0 347.415 2.231 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000580903738 324150451 /nfs/dbraw/zinc/15/04/51/324150451.db2.gz XAOITWWPDKGBMA-CQSZACIVSA-N 1 0 338.429 2.387 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000581309979 324228289 /nfs/dbraw/zinc/22/82/89/324228289.db2.gz BGWBOQTUAWRMIZ-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296447106 465198711 /nfs/dbraw/zinc/19/87/11/465198711.db2.gz VBUYCJSDPIIZQL-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296451941 465199900 /nfs/dbraw/zinc/19/99/00/465199900.db2.gz XCCDFHQLBRIQGH-SRCQZFHVSA-N 1 0 338.404 2.128 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351618482 465254738 /nfs/dbraw/zinc/25/47/38/465254738.db2.gz HLRVQURBVIEFPD-GXTWGEPZSA-N 1 0 335.404 2.325 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000341951592 465278074 /nfs/dbraw/zinc/27/80/74/465278074.db2.gz VORCAODOJPUNFH-GFCCVEGCSA-N 1 0 343.449 2.302 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000298140147 465312983 /nfs/dbraw/zinc/31/29/83/465312983.db2.gz QYMGARUOIDEYBE-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000590566496 468273778 /nfs/dbraw/zinc/27/37/78/468273778.db2.gz KODPOZQSZFSVDK-XJKSGUPXSA-N 1 0 334.420 2.338 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000088250481 462619086 /nfs/dbraw/zinc/61/90/86/462619086.db2.gz HVVCUNNVEUNTNK-UHFFFAOYSA-N 1 0 347.371 2.157 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153507729 462658972 /nfs/dbraw/zinc/65/89/72/462658972.db2.gz QRTGDAICZACVFJ-STQMWFEESA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000064354039 462698536 /nfs/dbraw/zinc/69/85/36/462698536.db2.gz DDILSNIVAZKPOK-CQSZACIVSA-N 1 0 343.387 2.193 20 5 EEBDRO C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000089620223 462698974 /nfs/dbraw/zinc/69/89/74/462698974.db2.gz QCYUUSZZCUYJHW-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129327530 462700944 /nfs/dbraw/zinc/70/09/44/462700944.db2.gz FDRYLHCDPCOOLE-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH+](C)C ZINC000064418972 462702564 /nfs/dbraw/zinc/70/25/64/462702564.db2.gz PDULYRYWSCKEMN-SNVBAGLBSA-N 1 0 343.811 2.472 20 5 EEBDRO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117299921 462796430 /nfs/dbraw/zinc/79/64/30/462796430.db2.gz ZHKDYWVISQYTHI-FDMDGMSGSA-N 1 0 347.415 2.177 20 5 EEBDRO COCC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117341475 462800075 /nfs/dbraw/zinc/80/00/75/462800075.db2.gz KEFRIFYOBXPNSR-UHFFFAOYSA-N 1 0 349.387 2.251 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009919866 462809588 /nfs/dbraw/zinc/80/95/88/462809588.db2.gz CBWPLENEYGBEOD-UHFFFAOYSA-N 1 0 342.399 2.429 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000154805840 462810866 /nfs/dbraw/zinc/81/08/66/462810866.db2.gz ZDHPAKOKZPHTIY-HNNXBMFYSA-N 1 0 343.449 2.307 20 5 EEBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047673071 462813547 /nfs/dbraw/zinc/81/35/47/462813547.db2.gz MRRVVJNZHNRGMT-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO COc1ccc(NC(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155404992 462887468 /nfs/dbraw/zinc/88/74/68/462887468.db2.gz DOLWYSPOUPBSHC-WBMJQRKESA-N 1 0 349.387 2.043 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000133878435 462980891 /nfs/dbraw/zinc/98/08/91/462980891.db2.gz PHMWPOBXSNQDOH-CYBMUJFWSA-N 1 0 340.383 2.453 20 5 EEBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000051737964 463046322 /nfs/dbraw/zinc/04/63/22/463046322.db2.gz FTFIKNBKSRESTG-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000078674729 463139440 /nfs/dbraw/zinc/13/94/40/463139440.db2.gz NRUFUGPPQPPDGK-OAHLLOKOSA-N 1 0 329.404 2.287 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1 ZINC000078869523 463157043 /nfs/dbraw/zinc/15/70/43/463157043.db2.gz RUVCBHJIHXYGSJ-DOTOQJQBSA-N 1 0 342.399 2.285 20 5 EEBDRO CC[N@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000069111023 463208920 /nfs/dbraw/zinc/20/89/20/463208920.db2.gz FSFGYVNISJOPRB-UHFFFAOYSA-N 1 0 338.408 2.003 20 5 EEBDRO CC(=O)c1ccc(NCCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000029619316 463265607 /nfs/dbraw/zinc/26/56/07/463265607.db2.gz XOIDXWJHMYJRSX-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055298197 463306570 /nfs/dbraw/zinc/30/65/70/463306570.db2.gz SSTXCOVEBLKHKS-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459798 463340248 /nfs/dbraw/zinc/34/02/48/463340248.db2.gz BAUHFIQBHBDRIU-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141858895 463356413 /nfs/dbraw/zinc/35/64/13/463356413.db2.gz KIEBPOHJMSCFRU-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081333732 463422207 /nfs/dbraw/zinc/42/22/07/463422207.db2.gz GLQCTDMOVKJWLO-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150768283 463423662 /nfs/dbraw/zinc/42/36/62/463423662.db2.gz XLCWKACFOGDYTN-HNNXBMFYSA-N 1 0 346.431 2.259 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)c1[N+](=O)[O-] ZINC000081361279 463425796 /nfs/dbraw/zinc/42/57/96/463425796.db2.gz JTMDBJPBDZQOJT-GFCCVEGCSA-N 1 0 337.424 2.074 20 5 EEBDRO CCOc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000162374370 463505142 /nfs/dbraw/zinc/50/51/42/463505142.db2.gz KEHOGIZSTISMGK-WDEREUQCSA-N 1 0 337.376 2.002 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043179649 463627137 /nfs/dbraw/zinc/62/71/37/463627137.db2.gz HVPPJYUVWWPCJM-UHFFFAOYSA-N 1 0 349.435 2.179 20 5 EEBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000165107129 463638965 /nfs/dbraw/zinc/63/89/65/463638965.db2.gz WWZRADMEZDVTRM-ZFWWWQNUSA-N 1 0 335.404 2.191 20 5 EEBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]12 ZINC000185105659 463753747 /nfs/dbraw/zinc/75/37/47/463753747.db2.gz FMIVFUHYWPSUPY-WQVCFCJDSA-N 1 0 344.415 2.004 20 5 EEBDRO Cc1cc(NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286989880 463764747 /nfs/dbraw/zinc/76/47/47/463764747.db2.gz DTMCWOYKMBTIBT-DZGCQCFKSA-N 1 0 348.403 2.230 20 5 EEBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000579582820 468379073 /nfs/dbraw/zinc/37/90/73/468379073.db2.gz PEBVLNWNLDUAMG-MRXNPFEDSA-N 1 0 330.384 2.475 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000269052464 463858871 /nfs/dbraw/zinc/85/88/71/463858871.db2.gz CTIUBGDUZRLTKR-IRXDYDNUSA-N 1 0 347.415 2.093 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261793911 463862440 /nfs/dbraw/zinc/86/24/40/463862440.db2.gz LFNWBIKIAPMZMQ-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000283432742 463883276 /nfs/dbraw/zinc/88/32/76/463883276.db2.gz JIQXJPGXBOIQMG-GHMZBOCLSA-N 1 0 338.383 2.166 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185850990 463890836 /nfs/dbraw/zinc/89/08/36/463890836.db2.gz KFKQERVGYBQKNO-CYBMUJFWSA-N 1 0 341.433 2.090 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261964820 463912591 /nfs/dbraw/zinc/91/25/91/463912591.db2.gz YGTUFJQOCRHDBD-CQSZACIVSA-N 1 0 341.433 2.188 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000269300308 463945734 /nfs/dbraw/zinc/94/57/34/463945734.db2.gz XJTZOPJQLMDEMA-MRXNPFEDSA-N 1 0 337.423 2.254 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000186189147 463949362 /nfs/dbraw/zinc/94/93/62/463949362.db2.gz CHEZLDDLFSEZSI-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262280721 463990003 /nfs/dbraw/zinc/99/00/03/463990003.db2.gz XCBKNVLPECYDEK-JSGCOSHPSA-N 1 0 343.387 2.122 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279125858 464040265 /nfs/dbraw/zinc/04/02/65/464040265.db2.gz BBBCTVJHGRPSDV-LLVKDONJSA-N 1 0 338.383 2.166 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000172414137 464075626 /nfs/dbraw/zinc/07/56/26/464075626.db2.gz HTJMHRODTNKVMM-UHFFFAOYSA-N 1 0 349.435 2.361 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000225345346 464156028 /nfs/dbraw/zinc/15/60/28/464156028.db2.gz AQNVBFWOYBSRFU-NSHDSACASA-N 1 0 343.225 2.015 20 5 EEBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682764 464171863 /nfs/dbraw/zinc/17/18/63/464171863.db2.gz VNHMHJRPDLJEKI-CJNGLKHVSA-N 1 0 348.403 2.290 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000270055286 464173651 /nfs/dbraw/zinc/17/36/51/464173651.db2.gz DBDFKDDMJSUFBU-OAHLLOKOSA-N 1 0 346.431 2.123 20 5 EEBDRO COc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1C ZINC000292267550 464179967 /nfs/dbraw/zinc/17/99/67/464179967.db2.gz PXIXUHAWKWLCOB-KRWDZBQOSA-N 1 0 333.388 2.080 20 5 EEBDRO CSC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276719 464181655 /nfs/dbraw/zinc/18/16/55/464181655.db2.gz BLODZKXLVMTDFR-ZFWWWQNUSA-N 1 0 340.445 2.410 20 5 EEBDRO Cc1cc(OCC(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000280620609 464222636 /nfs/dbraw/zinc/22/26/36/464222636.db2.gz SSBOZJJKOZJSMI-UHFFFAOYSA-N 1 0 335.404 2.274 20 5 EEBDRO C[C@H]1OCC[C@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280615667 464222725 /nfs/dbraw/zinc/22/27/25/464222725.db2.gz XYCDFHJHMMWBLQ-PBHICJAKSA-N 1 0 336.388 2.244 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236840269 464229345 /nfs/dbraw/zinc/22/93/45/464229345.db2.gz PDSSFEAKISAPFD-QGZVFWFLSA-N 1 0 334.420 2.298 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236837511 464229628 /nfs/dbraw/zinc/22/96/28/464229628.db2.gz RQOPWSPKBFPAKT-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000237601786 464347123 /nfs/dbraw/zinc/34/71/23/464347123.db2.gz MOASBUSGFWMPCC-OAQYLSRUSA-N 1 0 349.434 2.398 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264544483 464367131 /nfs/dbraw/zinc/36/71/31/464367131.db2.gz BHLQMEGYICKDKX-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000271773870 464380025 /nfs/dbraw/zinc/38/00/25/464380025.db2.gz JDDPIZILMKPSJN-GXSJLCMTSA-N 1 0 342.758 2.296 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284985742 464417523 /nfs/dbraw/zinc/41/75/23/464417523.db2.gz GGZXQNYWXIUTAO-LBPRGKRZSA-N 1 0 342.403 2.287 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189472430 464512489 /nfs/dbraw/zinc/51/24/89/464512489.db2.gz MNGZISAEHFMDFE-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO COc1cc(CNC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262678 464541812 /nfs/dbraw/zinc/54/18/12/464541812.db2.gz AVMOFLFAKGIYLU-SNVBAGLBSA-N 1 0 347.362 2.287 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246188765 464556551 /nfs/dbraw/zinc/55/65/51/464556551.db2.gz SVSUTVUQFMGGDY-KBPBESRZSA-N 1 0 334.420 2.195 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294900999 464642397 /nfs/dbraw/zinc/64/23/97/464642397.db2.gz VXVOEKDOLQUCCE-UHFFFAOYSA-N 1 0 326.418 2.288 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000265984055 464759250 /nfs/dbraw/zinc/75/92/50/464759250.db2.gz CGJNWDKJKKXOQX-UHFFFAOYSA-N 1 0 333.388 2.086 20 5 EEBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994030 464767678 /nfs/dbraw/zinc/76/76/78/464767678.db2.gz FYULHEQVNVKPRA-GHMZBOCLSA-N 1 0 335.360 2.430 20 5 EEBDRO CCC(CC)(CCO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282366013 464789917 /nfs/dbraw/zinc/78/99/17/464789917.db2.gz DRDWXHZESUYMSN-UHFFFAOYSA-N 1 0 335.404 2.015 20 5 EEBDRO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000286112957 464807317 /nfs/dbraw/zinc/80/73/17/464807317.db2.gz GCSNAXRLXXFCTQ-YIONKMFJSA-N 1 0 346.431 2.115 20 5 EEBDRO C[N@@H+]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282491726 464838183 /nfs/dbraw/zinc/83/81/83/464838183.db2.gz WBELZGYFSALTCG-UHFFFAOYSA-N 1 0 340.855 2.364 20 5 EEBDRO Cn1ccnc1[C@H]1N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821164 464976678 /nfs/dbraw/zinc/97/66/78/464976678.db2.gz GKYKJBMDFJCKOH-LSDHHAIUSA-N 1 0 330.388 2.445 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000351758197 465342512 /nfs/dbraw/zinc/34/25/12/465342512.db2.gz BFIWAOYSSLVNGA-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO [NH3+]CC1(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593913636 468430724 /nfs/dbraw/zinc/43/07/24/468430724.db2.gz BLMKYURNUORABG-UHFFFAOYSA-N 1 0 342.193 2.216 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934791 465398737 /nfs/dbraw/zinc/39/87/37/465398737.db2.gz OAGIZOWNWPYDAU-YGRLFVJLSA-N 1 0 328.372 2.289 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC000593917650 468432666 /nfs/dbraw/zinc/43/26/66/468432666.db2.gz XGZFPOZPJSBNQA-HZMBPMFUSA-N 1 0 331.376 2.061 20 5 EEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298887313 465533451 /nfs/dbraw/zinc/53/34/51/465533451.db2.gz SQQKMNUOTZBBQE-UHFFFAOYSA-N 1 0 343.387 2.235 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357012414 465700185 /nfs/dbraw/zinc/70/01/85/465700185.db2.gz YUNZGKSWWKSXEP-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)CC1(C)C ZINC000330569924 465710170 /nfs/dbraw/zinc/71/01/70/465710170.db2.gz NKGHDXKTEBWINQ-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000353208186 465716464 /nfs/dbraw/zinc/71/64/64/465716464.db2.gz KMZUKKNRHXBHSW-UHFFFAOYSA-N 1 0 334.328 2.072 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000338053782 465783969 /nfs/dbraw/zinc/78/39/69/465783969.db2.gz XJEUHJSYNCRUQN-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253819 465865790 /nfs/dbraw/zinc/86/57/90/465865790.db2.gz USKVEPOSFGAIBK-NEPJUHHUSA-N 1 0 331.376 2.298 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000362643480 465905605 /nfs/dbraw/zinc/90/56/05/465905605.db2.gz WNIQJIANOJUKGZ-UHFFFAOYSA-N 1 0 342.399 2.106 20 5 EEBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353495266 465930438 /nfs/dbraw/zinc/93/04/38/465930438.db2.gz HVNDODZTECRGJK-INIZCTEOSA-N 1 0 330.388 2.434 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591358936 468457599 /nfs/dbraw/zinc/45/75/99/468457599.db2.gz SIWUWTAVSMKXBC-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000338298943 465995537 /nfs/dbraw/zinc/99/55/37/465995537.db2.gz DUOVOITVVMWWPH-RYUDHWBXSA-N 1 0 337.376 2.019 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229213 466010917 /nfs/dbraw/zinc/01/09/17/466010917.db2.gz RROIBABDPILOCV-GRDNDAEWSA-N 1 0 331.416 2.326 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000349218838 466024885 /nfs/dbraw/zinc/02/48/85/466024885.db2.gz PXWZNQLWQVNVBX-MRXNPFEDSA-N 1 0 349.431 2.476 20 5 EEBDRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331404679 466067464 /nfs/dbraw/zinc/06/74/64/466067464.db2.gz DZZSXKJMFBLOKF-JKSUJKDBSA-N 1 0 346.435 2.458 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000302142834 466103841 /nfs/dbraw/zinc/10/38/41/466103841.db2.gz FUTQBLCKLJUSKJ-NSHDSACASA-N 1 0 344.362 2.244 20 5 EEBDRO COc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000331523088 466122393 /nfs/dbraw/zinc/12/23/93/466122393.db2.gz ZJFIKBBGJNIDKV-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO Cn1nccc1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170807 466202871 /nfs/dbraw/zinc/20/28/71/466202871.db2.gz WGDLJERTFYRKJP-WMLDXEAASA-N 1 0 330.388 2.241 20 5 EEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241684 466266907 /nfs/dbraw/zinc/26/69/07/466266907.db2.gz SKTBMLIWQSDQQS-OCCSQVGLSA-N 1 0 349.387 2.128 20 5 EEBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332040802 466356738 /nfs/dbraw/zinc/35/67/38/466356738.db2.gz KTCLHGSHZKCMKT-HZPDHXFCSA-N 1 0 349.435 2.123 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068751 466366033 /nfs/dbraw/zinc/36/60/33/466366033.db2.gz OPIXADIXPKXTEF-TZMCWYRMSA-N 1 0 328.372 2.488 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332082380 466376686 /nfs/dbraw/zinc/37/66/86/466376686.db2.gz NZLHKWFOVGCWOG-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO COc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332082381 466376844 /nfs/dbraw/zinc/37/68/44/466376844.db2.gz NZLHKWFOVGCWOG-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000305455382 466409021 /nfs/dbraw/zinc/40/90/21/466409021.db2.gz SXCIBFHBAZTARX-ZDUSSCGKSA-N 1 0 332.360 2.380 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000350228611 466433047 /nfs/dbraw/zinc/43/30/47/466433047.db2.gz VGLGZOMHROQTDE-QGZVFWFLSA-N 1 0 348.355 2.104 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358225330 466555380 /nfs/dbraw/zinc/55/53/80/466555380.db2.gz COMZCRLGKZVSHM-CZUORRHYSA-N 1 0 339.461 2.122 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000347318339 466560657 /nfs/dbraw/zinc/56/06/57/466560657.db2.gz ULNIIXNMRDKPKP-UHFFFAOYSA-N 1 0 345.403 2.415 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000347348198 466583897 /nfs/dbraw/zinc/58/38/97/466583897.db2.gz KMDMGWCFMOSLGO-HNNXBMFYSA-N 1 0 325.340 2.366 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1 ZINC000347352015 466584651 /nfs/dbraw/zinc/58/46/51/466584651.db2.gz XMPLUHYQTXGYGU-KBPBESRZSA-N 1 0 348.428 2.292 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591668921 468500052 /nfs/dbraw/zinc/50/00/52/468500052.db2.gz KFFPAKOBCJHRCQ-AWEZNQCLSA-N 1 0 341.358 2.279 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347388685 466604905 /nfs/dbraw/zinc/60/49/05/466604905.db2.gz YRVCZOXQKKWIPN-HNNXBMFYSA-N 1 0 347.415 2.164 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCC[NH2+]1 ZINC000415481170 466686586 /nfs/dbraw/zinc/68/65/86/466686586.db2.gz ILFMFSMJIVQFMP-MRXNPFEDSA-N 1 0 336.392 2.102 20 5 EEBDRO [NH3+]CCc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000423728719 466815679 /nfs/dbraw/zinc/81/56/79/466815679.db2.gz UAGBNQOTMRJPQB-UHFFFAOYSA-N 1 0 346.412 2.357 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000365604119 466878862 /nfs/dbraw/zinc/87/88/62/466878862.db2.gz VKUJTAWEFCBQOA-QZTJIDSGSA-N 1 0 349.431 2.207 20 5 EEBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972119 466952812 /nfs/dbraw/zinc/95/28/12/466952812.db2.gz PLFGNOCSNKKPHH-KZULUSFZSA-N 1 0 347.415 2.277 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000377101119 467028194 /nfs/dbraw/zinc/02/81/94/467028194.db2.gz FDFBFPJVNNFRII-QGZVFWFLSA-N 1 0 333.388 2.079 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377438996 467058717 /nfs/dbraw/zinc/05/87/17/467058717.db2.gz BQWCSKNJUNRLMQ-KBPBESRZSA-N 1 0 332.404 2.140 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CCO)CC2)c(C(F)(F)F)c1 ZINC000413131583 467175431 /nfs/dbraw/zinc/17/54/31/467175431.db2.gz OIKDOZHDDILIPO-UHFFFAOYSA-N 1 0 348.325 2.125 20 5 EEBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000413530888 467261611 /nfs/dbraw/zinc/26/16/11/467261611.db2.gz KYBIHAKKYMVLAB-CYBMUJFWSA-N 1 0 327.388 2.404 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452120509 467331191 /nfs/dbraw/zinc/33/11/91/467331191.db2.gz GDHRRQPHYGWMRA-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCCC[N@@H+]3C3CC3)c21 ZINC000433815217 467356211 /nfs/dbraw/zinc/35/62/11/467356211.db2.gz ZWWDHFGGFPEFJZ-ZDUSSCGKSA-N 1 0 327.388 2.967 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376287 467384119 /nfs/dbraw/zinc/38/41/19/467384119.db2.gz UXWUKNGVYVEQCK-IQMDTDKHSA-N 1 0 340.811 2.163 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476804 467419926 /nfs/dbraw/zinc/41/99/26/467419926.db2.gz YVXRIGWXRSUTLO-NXEZZACHSA-N 1 0 347.824 2.044 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000431556690 467524774 /nfs/dbraw/zinc/52/47/74/467524774.db2.gz KRSYVJNWTVXHLU-CYBMUJFWSA-N 1 0 336.392 2.217 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000431571455 467525927 /nfs/dbraw/zinc/52/59/27/467525927.db2.gz RGCNXXDUFBNAQK-STQMWFEESA-N 1 0 337.424 2.257 20 5 EEBDRO CNc1nc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454339142 467586150 /nfs/dbraw/zinc/58/61/50/467586150.db2.gz AXZVAIDPGMLFRP-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EEBDRO Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447578455 467587876 /nfs/dbraw/zinc/58/78/76/467587876.db2.gz FPAJIFBAOOQFBD-OLZOCXBDSA-N 1 0 334.380 2.189 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449395684 467637749 /nfs/dbraw/zinc/63/77/49/467637749.db2.gz JVQDNRSGAUZDDA-JBXOJTMHSA-N 1 0 333.432 2.435 20 5 EEBDRO C[C@H](CCCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408476 467640803 /nfs/dbraw/zinc/64/08/03/467640803.db2.gz NZGGTATVLQDMKV-CJNGLKHVSA-N 1 0 332.404 2.416 20 5 EEBDRO Cn1cc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449516937 467655362 /nfs/dbraw/zinc/65/53/62/467655362.db2.gz IHIFMQKBNWDUDS-PBHICJAKSA-N 1 0 341.415 2.131 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449642910 467674554 /nfs/dbraw/zinc/67/45/54/467674554.db2.gz YBROBFWNCNHBPI-ZFWWWQNUSA-N 1 0 346.431 2.442 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000449646423 467675546 /nfs/dbraw/zinc/67/55/46/467675546.db2.gz NUAVCXDHDNQACH-OLZOCXBDSA-N 1 0 343.387 2.028 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000457928761 467731986 /nfs/dbraw/zinc/73/19/86/467731986.db2.gz BHYRZYVCGLZZRX-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000449939118 467748032 /nfs/dbraw/zinc/74/80/32/467748032.db2.gz IDRHNMQJOXTJTD-GXTWGEPZSA-N 1 0 333.388 2.157 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H](O)C[NH+]1CCCCC1 ZINC000450256092 467809562 /nfs/dbraw/zinc/80/95/62/467809562.db2.gz FIKVJXZGIYWSQE-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO Cc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450485959 467857791 /nfs/dbraw/zinc/85/77/91/467857791.db2.gz AOBBXVWOKTXFTG-OAHLLOKOSA-N 1 0 327.388 2.627 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@H+](CC)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000450826524 467915423 /nfs/dbraw/zinc/91/54/23/467915423.db2.gz GEQUTCJTYJYBOP-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000494227706 468037988 /nfs/dbraw/zinc/03/79/88/468037988.db2.gz QHHYSWWNEATKSY-BZNIZROVSA-N 1 0 335.360 2.050 20 5 EEBDRO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000531311274 468043730 /nfs/dbraw/zinc/04/37/30/468043730.db2.gz HITKHQIJQKTPQB-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000489398232 468131552 /nfs/dbraw/zinc/13/15/52/468131552.db2.gz XVJMIKJFDYTFJL-MRXNPFEDSA-N 1 0 330.388 2.488 20 5 EEBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000532988061 468158099 /nfs/dbraw/zinc/15/80/99/468158099.db2.gz HFUOKYRKRJXSHQ-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CCCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567707611 468190477 /nfs/dbraw/zinc/19/04/77/468190477.db2.gz ZOBGYBWMTKYQHN-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000567726713 468196335 /nfs/dbraw/zinc/19/63/35/468196335.db2.gz SMKUIRLGJNPRPX-KBAYOESNSA-N 1 0 344.415 2.326 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000550703373 468222451 /nfs/dbraw/zinc/22/24/51/468222451.db2.gz QCVLJZYSZAESHU-UHFFFAOYSA-N 1 0 326.312 2.051 20 5 EEBDRO COc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197838 468509563 /nfs/dbraw/zinc/50/95/63/468509563.db2.gz QPOIRESVUYXPIR-KBPBESRZSA-N 1 0 333.388 2.350 20 5 EEBDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000591744581 468513397 /nfs/dbraw/zinc/51/33/97/468513397.db2.gz CGBXXLBTANQULT-SFHVURJKSA-N 1 0 343.427 2.220 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597698162 468643075 /nfs/dbraw/zinc/64/30/75/468643075.db2.gz GKLFJGJNKGJNKA-BXKDBHETSA-N 1 0 343.330 2.361 20 5 EEBDRO C[NH2+]C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000600826279 468667101 /nfs/dbraw/zinc/66/71/01/468667101.db2.gz ZLCLMRROUWPSKK-UHFFFAOYSA-N 1 0 346.431 2.070 20 5 EEBDRO Cn1cc(CNCC2([NH3+])CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594739259 468669513 /nfs/dbraw/zinc/66/95/13/468669513.db2.gz QXOPELLQLMGYAM-UHFFFAOYSA-N 1 0 329.404 2.356 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854610 468694320 /nfs/dbraw/zinc/69/43/20/468694320.db2.gz JUBFZTNYWOETPG-LBPRGKRZSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000592428598 468695675 /nfs/dbraw/zinc/69/56/75/468695675.db2.gz DHUMHNLEZLVPKZ-SJKOYZFVSA-N 1 0 331.372 2.403 20 5 EEBDRO [NH3+]C1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000592469007 468704603 /nfs/dbraw/zinc/70/46/03/468704603.db2.gz SMEJRZPPNCWLKD-UHFFFAOYSA-N 1 0 346.431 2.197 20 5 EEBDRO CN(C[C@@H]1CCCOC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000570911540 468711870 /nfs/dbraw/zinc/71/18/70/468711870.db2.gz ZWEPHRZZJGJLNH-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+](C)C)cc1SC ZINC000597992455 468732743 /nfs/dbraw/zinc/73/27/43/468732743.db2.gz LPUTZZJMXWNNNP-JTQLQIEISA-N 1 0 341.433 2.395 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000594975018 468735935 /nfs/dbraw/zinc/73/59/35/468735935.db2.gz MRYPWVYXGKLROI-UHFFFAOYSA-N 1 0 326.418 2.432 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000595011418 468742622 /nfs/dbraw/zinc/74/26/22/468742622.db2.gz DSIQYQQVAYEZMM-OCCSQVGLSA-N 1 0 326.393 2.288 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000601192217 468776963 /nfs/dbraw/zinc/77/69/63/468776963.db2.gz VAJFQQQSVAQURR-UHFFFAOYSA-N 1 0 338.383 2.432 20 5 EEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595268404 468797450 /nfs/dbraw/zinc/79/74/50/468797450.db2.gz IWIQIDXVENXCTA-IAGOWNOFSA-N 1 0 325.368 2.470 20 5 EEBDRO COc1cc(CN2C[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000601330524 468829075 /nfs/dbraw/zinc/82/90/75/468829075.db2.gz UMNDKIVGROGIFN-WCBMZHEXSA-N 1 0 331.319 2.126 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595470856 468866213 /nfs/dbraw/zinc/86/62/13/468866213.db2.gz UAOSNNRQTLARAC-MRXNPFEDSA-N 1 0 349.431 2.160 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593128849 468881455 /nfs/dbraw/zinc/88/14/55/468881455.db2.gz KHGDYKITCLWPCZ-UONOGXRCSA-N 1 0 334.372 2.105 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000593189345 468899403 /nfs/dbraw/zinc/89/94/03/468899403.db2.gz MCFQNRFSYHHKDQ-WXHSDQCUSA-N 1 0 335.404 2.465 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598560441 468913649 /nfs/dbraw/zinc/91/36/49/468913649.db2.gz LXZTZKLYWJEZHY-AWEZNQCLSA-N 1 0 346.431 2.488 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562562 468914491 /nfs/dbraw/zinc/91/44/91/468914491.db2.gz WPKUXTQEBUTUHC-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CCO ZINC000595695887 468958094 /nfs/dbraw/zinc/95/80/94/468958094.db2.gz IXFGTCMNNZKWNQ-WBMJQRKESA-N 1 0 336.388 2.444 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000593397850 468962181 /nfs/dbraw/zinc/96/21/81/468962181.db2.gz AEEPOKJPQKLVLS-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO Cc1nnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602612636 468965178 /nfs/dbraw/zinc/96/51/78/468965178.db2.gz ISELXVKMLLAIQM-JTQLQIEISA-N 1 0 348.432 2.469 20 5 EEBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602683088 469009685 /nfs/dbraw/zinc/00/96/85/469009685.db2.gz HPGRIKTVPXLPPQ-WMLDXEAASA-N 1 0 330.388 2.381 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602687969 469012253 /nfs/dbraw/zinc/01/22/53/469012253.db2.gz SODLOIZRDNOQJG-SSDOTTSWSA-N 1 0 348.222 2.035 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718501 469020452 /nfs/dbraw/zinc/02/04/52/469020452.db2.gz IWAGNYRSLNSGRF-MRXNPFEDSA-N 1 0 349.431 2.160 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000614780418 469051330 /nfs/dbraw/zinc/05/13/30/469051330.db2.gz PMDXNSFPTLERLJ-SJCJKPOMSA-N 1 0 347.415 2.007 20 5 EEBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)S(C)(=O)=O ZINC000573111403 469064631 /nfs/dbraw/zinc/06/46/31/469064631.db2.gz CQZQXFWOSXWOIA-QMMMGPOBSA-N 1 0 340.323 2.136 20 5 EEBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602798712 469083517 /nfs/dbraw/zinc/08/35/17/469083517.db2.gz GCTDAYJVBMJDAP-AWEZNQCLSA-N 1 0 338.408 2.155 20 5 EEBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000587210556 469086685 /nfs/dbraw/zinc/08/66/85/469086685.db2.gz PNDWMJOJRHQXRZ-NWDGAFQWSA-N 1 0 345.403 2.776 20 5 EEBDRO CCN1C[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000593720251 469108805 /nfs/dbraw/zinc/10/88/05/469108805.db2.gz ADUSWEBZKUFYEN-XJKSGUPXSA-N 1 0 331.416 2.374 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000573396778 469122428 /nfs/dbraw/zinc/12/24/28/469122428.db2.gz MHBZCYXOFOJMIN-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593764108 469130168 /nfs/dbraw/zinc/13/01/68/469130168.db2.gz WAHOFCBTVUSHLE-IOASZLSFSA-N 1 0 348.403 2.345 20 5 EEBDRO CC(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCCC1 ZINC000596070865 469139952 /nfs/dbraw/zinc/13/99/52/469139952.db2.gz UATIZNDSGCYNSI-OAHLLOKOSA-N 1 0 345.403 2.776 20 5 EEBDRO NC(=O)c1cc(NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000596090055 469151135 /nfs/dbraw/zinc/15/11/35/469151135.db2.gz UURPKFUVDNAUOU-UHFFFAOYSA-N 1 0 346.412 2.225 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611252777 469209608 /nfs/dbraw/zinc/20/96/08/469209608.db2.gz LSOWKOMYKMJTNU-ZNNBYXKUSA-N 1 0 331.416 2.405 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589199533 469211789 /nfs/dbraw/zinc/21/17/89/469211789.db2.gz GZJALYWFHNDIFK-GFCCVEGCSA-N 1 0 344.371 2.089 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NCC3CC[NH+](CC4CC4)CC3)c21 ZINC000596563889 469302064 /nfs/dbraw/zinc/30/20/64/469302064.db2.gz WGNWBNUMVVRVLZ-UHFFFAOYSA-N 1 0 341.415 3.072 20 5 EEBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602432960 469314035 /nfs/dbraw/zinc/31/40/35/469314035.db2.gz IVZBEAIYKJXBTD-SCZZXKLOSA-N 1 0 342.193 2.167 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc4[nH]ccc43)CC2)n1 ZINC000599626635 469314800 /nfs/dbraw/zinc/31/48/00/469314800.db2.gz XSLNBBBQTNXBPP-UHFFFAOYSA-N 1 0 340.387 2.095 20 5 EEBDRO CC[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603232129 469316862 /nfs/dbraw/zinc/31/68/62/469316862.db2.gz RWUSSRISMAJQPW-UHFFFAOYSA-N 1 0 329.282 2.363 20 5 EEBDRO Cn1ccnc1[C@@H](C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602474719 469331893 /nfs/dbraw/zinc/33/18/93/469331893.db2.gz RKUKETNFEAUIIF-CZUORRHYSA-N 1 0 342.403 2.361 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602505157 469341644 /nfs/dbraw/zinc/34/16/44/469341644.db2.gz UHSSYSIDXYFGFR-UHFFFAOYSA-N 1 0 331.294 2.229 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602541511 469354563 /nfs/dbraw/zinc/35/45/63/469354563.db2.gz PWQWTMMIAJHEFU-CABZTGNLSA-N 1 0 349.284 2.333 20 5 EEBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]2CCO[C@H]21 ZINC000602553191 469358926 /nfs/dbraw/zinc/35/89/26/469358926.db2.gz AXMCTZZKXPXYHN-DJIMGWMZSA-N 1 0 346.431 2.362 20 5 EEBDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483571 469477662 /nfs/dbraw/zinc/47/76/62/469477662.db2.gz DECYWPXXBHGFMG-DGCLKSJQSA-N 1 0 335.379 2.438 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619581324 469644261 /nfs/dbraw/zinc/64/42/61/469644261.db2.gz BWGQDHGCNJJBDF-UHFFFAOYSA-N 1 0 338.327 2.141 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCCN1C1CC1)OCCO2 ZINC000618068860 469886606 /nfs/dbraw/zinc/88/66/06/469886606.db2.gz LVXBUXPEAPCGJC-OAHLLOKOSA-N 1 0 347.415 2.473 20 5 EEBDRO CC(C)C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609122335 469892478 /nfs/dbraw/zinc/89/24/78/469892478.db2.gz JRXFWAXYANEFTN-UHFFFAOYSA-N 1 0 335.404 2.140 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609135507 469894855 /nfs/dbraw/zinc/89/48/55/469894855.db2.gz OASMKXJCGIETOT-LLVKDONJSA-N 1 0 331.376 2.074 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383477 469923338 /nfs/dbraw/zinc/92/33/38/469923338.db2.gz PIWFCXUBTSZGOK-OAHLLOKOSA-N 1 0 342.399 2.150 20 5 EEBDRO COc1cc(CNC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000414928962 533883923 /nfs/dbraw/zinc/88/39/23/533883923.db2.gz NXRIYTJINMFXBS-MRXNPFEDSA-N 1 0 337.420 2.480 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000190169302 534306869 /nfs/dbraw/zinc/30/68/69/534306869.db2.gz TTXARHCKRVKVDN-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000451847151 517803950 /nfs/dbraw/zinc/80/39/50/517803950.db2.gz SHZRHPMOTZLQLK-WMLDXEAASA-N 1 0 346.431 2.116 20 5 EEBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000225813233 536430131 /nfs/dbraw/zinc/43/01/31/536430131.db2.gz DHBWBIHDFOPWBW-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000416006152 527276095 /nfs/dbraw/zinc/27/60/95/527276095.db2.gz KXEJAJOPYYGXQJ-NSHDSACASA-N 1 0 348.325 2.409 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181880481 528098784 /nfs/dbraw/zinc/09/87/84/528098784.db2.gz LIVQWUQREOVYCA-UHFFFAOYSA-N 1 0 337.376 2.175 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414946480 528418032 /nfs/dbraw/zinc/41/80/32/528418032.db2.gz JQNTZAKTQXKPFJ-MRVPVSSYSA-N 1 0 332.307 2.316 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000266243612 535264210 /nfs/dbraw/zinc/26/42/10/535264210.db2.gz YFGLZZNBZYETTR-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000266078506 536800124 /nfs/dbraw/zinc/80/01/24/536800124.db2.gz XWTOTKRDWISLJS-ZDUSSCGKSA-N 1 0 336.344 2.337 20 5 EEBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004430 577470855 /nfs/dbraw/zinc/47/08/55/577470855.db2.gz ACDBGWGSDBMTDC-BXKDBHETSA-N 1 0 349.309 2.479 20 5 EEBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000753449623 577787710 /nfs/dbraw/zinc/78/77/10/577787710.db2.gz YFCOWXDALPFSGA-LLVKDONJSA-N 1 0 337.376 2.217 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000742834235 577877110 /nfs/dbraw/zinc/87/71/10/577877110.db2.gz OJTRAYRLBHOSNX-MRXNPFEDSA-N 1 0 347.415 2.276 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C3CCCCC3)CC2)c1 ZINC000743265349 577882448 /nfs/dbraw/zinc/88/24/48/577882448.db2.gz VDFALQUYCLCDJD-QGZVFWFLSA-N 1 0 336.436 2.445 20 5 EEBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000748242561 577958077 /nfs/dbraw/zinc/95/80/77/577958077.db2.gz PRTKBARZXNNPCN-MRXNPFEDSA-N 1 0 338.360 2.283 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958485 577984783 /nfs/dbraw/zinc/98/47/83/577984783.db2.gz DPQYSCDLCXPETO-AWEZNQCLSA-N 1 0 346.435 2.269 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC001020802369 675502882 /nfs/dbraw/zinc/50/28/82/675502882.db2.gz AULQBMFOSRDJIR-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891447862 676627723 /nfs/dbraw/zinc/62/77/23/676627723.db2.gz ZCTGOWGZPJKOMN-MRXNPFEDSA-N 1 0 340.383 2.109 20 5 EEBDRO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022063905 676628390 /nfs/dbraw/zinc/62/83/90/676628390.db2.gz OFGQPQGCLQESNI-YYIAUSFCSA-N 1 0 345.443 2.386 20 5 EEBDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CC2)n1 ZINC000892077865 677977165 /nfs/dbraw/zinc/97/71/65/677977165.db2.gz ASBYTVBCSIBHEV-CQSZACIVSA-N 1 0 342.403 2.287 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418084 679763439 /nfs/dbraw/zinc/76/34/39/679763439.db2.gz MOQSHTLFXSRFNQ-OAHLLOKOSA-N 1 0 334.420 2.468 20 5 EEBDRO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892767263 683019470 /nfs/dbraw/zinc/01/94/70/683019470.db2.gz VQUBNELKNBXBNW-LZLYRXPVSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246191 684381030 /nfs/dbraw/zinc/38/10/30/684381030.db2.gz MTPRKRBTIYRYLT-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000895245942 684381822 /nfs/dbraw/zinc/38/18/22/684381822.db2.gz KBPHVMQMTYCZTP-MFKMUULPSA-N 1 0 344.362 2.242 20 5 EEBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000866949582 689486013 /nfs/dbraw/zinc/48/60/13/689486013.db2.gz RYKOCLWSCTWVJV-UHFFFAOYSA-N 1 0 338.385 2.408 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000989908395 692453187 /nfs/dbraw/zinc/45/31/87/692453187.db2.gz DAPMPMIIKGFNMI-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000905321531 694602314 /nfs/dbraw/zinc/60/23/14/694602314.db2.gz JHFDKWFVRHMZJY-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168232700 1187399727 /nfs/dbraw/zinc/39/97/27/1187399727.db2.gz AKAQIWWJAHIZIC-KOLCDFICSA-N 1 0 331.731 2.147 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000905640825 1189841503 /nfs/dbraw/zinc/84/15/03/1189841503.db2.gz OUBSHQYDUAJFCD-KRWDZBQOSA-N 1 0 330.388 2.415 20 5 EEBDRO CC[C@H]1COCCN1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000874702856 1198951497 /nfs/dbraw/zinc/95/14/97/1198951497.db2.gz OPZKICVEDZKFIG-HNNXBMFYSA-N 1 0 349.431 2.099 20 5 EEBDRO O=C(Cc1cccc(F)c1F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134400303 1199533595 /nfs/dbraw/zinc/53/35/95/1199533595.db2.gz JJORHXHNJCMNIO-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO Cc1c(CC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000877340253 1199907503 /nfs/dbraw/zinc/90/75/03/1199907503.db2.gz HZASZKCQXXHFQS-KRWDZBQOSA-N 1 0 339.395 2.276 20 5 EEBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811601542 1200166482 /nfs/dbraw/zinc/16/64/82/1200166482.db2.gz PBWLLPNTMKHTRN-JTQLQIEISA-N 1 0 338.364 2.270 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC001132997478 1200311149 /nfs/dbraw/zinc/31/11/49/1200311149.db2.gz GQEYHLFSIFUGTF-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000826077308 1200714874 /nfs/dbraw/zinc/71/48/74/1200714874.db2.gz ZAYUUTVGZQQSTR-MNOVXSKESA-N 1 0 338.383 2.012 20 5 EEBDRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870965714 1200981093 /nfs/dbraw/zinc/98/10/93/1200981093.db2.gz NHRXVFZRGXXPBQ-IAGOWNOFSA-N 1 0 331.416 2.070 20 5 EEBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000131255316 1202033738 /nfs/dbraw/zinc/03/37/38/1202033738.db2.gz SCKNLCXFDDMZAA-GHMZBOCLSA-N 1 0 326.194 2.009 20 5 EEBDRO CC1(C)[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H]1[NH3+] ZINC000884351061 1202299431 /nfs/dbraw/zinc/29/94/31/1202299431.db2.gz IMDDGJMJKJXEOV-ZWKOTPCHSA-N 1 0 349.434 2.397 20 5 EEBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886194055 1202480139 /nfs/dbraw/zinc/48/01/39/1202480139.db2.gz ICHGACIEURVXOC-CZUORRHYSA-N 1 0 343.383 2.500 20 5 EEBDRO Cn1c2ccccc2c(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1=O ZINC000005344135 1205431158 /nfs/dbraw/zinc/43/11/58/1205431158.db2.gz PGFZJTBRYMYAEE-UHFFFAOYSA-N 1 0 330.388 2.345 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001095567078 1205876925 /nfs/dbraw/zinc/87/69/25/1205876925.db2.gz PMRRPVCYYZHAAJ-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC(C)(C)NC(=O)[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932440636 1207606893 /nfs/dbraw/zinc/60/68/93/1207606893.db2.gz NTQDBVLTMHGRGC-HUUCEWRRSA-N 1 0 335.404 2.007 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001111310935 1210127987 /nfs/dbraw/zinc/12/79/87/1210127987.db2.gz CVHKUQWFFHBWDP-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795700436 1214982483 /nfs/dbraw/zinc/98/24/83/1214982483.db2.gz BUOGNMUZHMOTPF-JSGCOSHPSA-N 1 0 346.387 2.019 20 5 EEBDRO CC[NH+](CC)CCCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000796439607 1218086583 /nfs/dbraw/zinc/08/65/83/1218086583.db2.gz RWNPEAMFTBIIHY-UHFFFAOYSA-N 1 0 340.380 2.448 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC000900281093 1234153136 /nfs/dbraw/zinc/15/31/36/1234153136.db2.gz FZPAVGSWXVASMI-GFCCVEGCSA-N 1 0 329.759 2.457 20 5 EEBDRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001046402898 1234759777 /nfs/dbraw/zinc/75/97/77/1234759777.db2.gz GFHPLFJLZNCQSK-AKAXFMLLSA-N 1 0 346.431 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001097036721 1243603044 /nfs/dbraw/zinc/60/30/44/1243603044.db2.gz FIEQCMWIBRYIQZ-HDJSIYSDSA-N 1 0 334.420 2.303 20 5 EEBDRO CCCN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001101227481 1245543285 /nfs/dbraw/zinc/54/32/85/1245543285.db2.gz QCAXQZOIVDRYPV-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000827495945 1248225172 /nfs/dbraw/zinc/22/51/72/1248225172.db2.gz ATLMGARCBPZIBC-HUUCEWRRSA-N 1 0 328.372 2.418 20 5 EEBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000867266432 1285159807 /nfs/dbraw/zinc/15/98/07/1285159807.db2.gz WLZHMVRQVJNQLX-UHFFFAOYSA-N 1 0 340.760 2.048 20 5 EEBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228140007 1302122271 /nfs/dbraw/zinc/12/22/71/1302122271.db2.gz DIAIHHRJOZOCEI-VXGBXAGGSA-N 1 0 345.359 2.090 20 5 EEBDRO CCCSc1nc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229791794 1302946244 /nfs/dbraw/zinc/94/62/44/1302946244.db2.gz MPAOVUIQZOAIKN-JTQLQIEISA-N 1 0 340.405 2.066 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncccc1OCc1ccccc1 ZINC001233631154 1304540071 /nfs/dbraw/zinc/54/00/71/1304540071.db2.gz RYSYCYCDSBBOCE-MRXNPFEDSA-N 1 0 345.419 2.023 20 5 EEBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001234410093 1304912206 /nfs/dbraw/zinc/91/22/06/1304912206.db2.gz IZNODWUWRSNYMX-MRXNPFEDSA-N 1 0 334.372 2.173 20 5 EEBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234410383 1304912641 /nfs/dbraw/zinc/91/26/41/1304912641.db2.gz MDPLCEFJDVFIJE-LBPRGKRZSA-N 1 0 325.385 2.174 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CCCC3)c2)CC1 ZINC001121252069 1309959024 /nfs/dbraw/zinc/95/90/24/1309959024.db2.gz IVQCICJYNSNUBY-UHFFFAOYSA-N 1 0 332.404 2.475 20 5 EEBDRO COc1ccc(C[C@H](C)N2C[C@H]([NH3+])CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001246583498 1310349085 /nfs/dbraw/zinc/34/90/85/1310349085.db2.gz HBAAQEQBFGGOMK-CMPLNLGQSA-N 1 0 329.347 2.203 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c21 ZINC001160741000 1320254730 /nfs/dbraw/zinc/25/47/30/1320254730.db2.gz BUMGNPSRHXRUIY-DTWKUNHWSA-N 1 0 341.293 2.490 20 5 EEBDRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834588774 1314850710 /nfs/dbraw/zinc/85/07/10/1314850710.db2.gz GEWWSQXIQHGDTC-UHFFFAOYSA-N 1 0 336.348 2.073 20 5 EEBDRO CCc1[nH]nc(C(=O)OCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000837657834 1315100986 /nfs/dbraw/zinc/10/09/86/1315100986.db2.gz QSCSBWDAAMUSNV-UHFFFAOYSA-N 1 0 332.360 2.169 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010846 1315453694 /nfs/dbraw/zinc/45/36/94/1315453694.db2.gz JHMDDOAAOHYWAU-GZMMTYOYSA-N 1 0 342.783 2.483 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000842876846 1315790100 /nfs/dbraw/zinc/79/01/00/1315790100.db2.gz YJQJOXGOBJELSG-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842921584 1315798962 /nfs/dbraw/zinc/79/89/62/1315798962.db2.gz HNQDLNCLYRUTNR-UHFFFAOYSA-N 1 0 349.840 2.354 20 5 EEBDRO [NH3+]CCCCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000842920885 1315798976 /nfs/dbraw/zinc/79/89/76/1315798976.db2.gz BSNMLSSZXGNQCW-UHFFFAOYSA-N 1 0 335.813 2.046 20 5 EEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000843154198 1315857030 /nfs/dbraw/zinc/85/70/30/1315857030.db2.gz YRSVMTRRFULXQL-ZDUSSCGKSA-N 1 0 328.332 2.486 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000843354152 1315898059 /nfs/dbraw/zinc/89/80/59/1315898059.db2.gz VHOUKOPJUVKQNE-YGRLFVJLSA-N 1 0 340.811 2.246 20 5 EEBDRO Cc1noc(C)c1CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150620166 1316320084 /nfs/dbraw/zinc/32/00/84/1316320084.db2.gz PAVLILJDCKOACN-UHFFFAOYSA-N 1 0 346.387 2.038 20 5 EEBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001249278019 1317041152 /nfs/dbraw/zinc/04/11/52/1317041152.db2.gz CYOIELWJWNHROQ-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155560003 1317651848 /nfs/dbraw/zinc/65/18/48/1317651848.db2.gz UYAZXAKMEAYGML-LLVKDONJSA-N 1 0 334.357 2.094 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc2[nH]ccc21 ZINC001155598037 1317667390 /nfs/dbraw/zinc/66/73/90/1317667390.db2.gz MYCDASGPRNZXGV-MEDUHNTESA-N 1 0 331.376 2.042 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001253653245 1317905166 /nfs/dbraw/zinc/90/51/66/1317905166.db2.gz BCRRDIVNUAZCOM-CQSZACIVSA-N 1 0 346.431 2.440 20 5 EEBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccnc1 ZINC001254469229 1318081739 /nfs/dbraw/zinc/08/17/39/1318081739.db2.gz INIMWHKOBDFUJX-UHFFFAOYSA-N 1 0 340.383 2.431 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC001254546623 1318117383 /nfs/dbraw/zinc/11/73/83/1318117383.db2.gz HKBUCDCXBMCQKH-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001254571724 1318126692 /nfs/dbraw/zinc/12/66/92/1318126692.db2.gz AVRYZKXGEBEUAQ-GOEBONIOSA-N 1 0 326.352 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@]1(O)CCOc3ccccc31)C2 ZINC001254580149 1318128845 /nfs/dbraw/zinc/12/88/45/1318128845.db2.gz ZGGBHQRIDFDUJR-KXBFYZLASA-N 1 0 340.379 2.322 20 5 EEBDRO CCN1CC[C@]2(CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254599019 1318138583 /nfs/dbraw/zinc/13/85/83/1318138583.db2.gz ZMJKVONPZPXELK-MJGOQNOKSA-N 1 0 343.427 2.396 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2nccc3ccccc32)nc1C1C[NH2+]C1 ZINC001156869689 1318251355 /nfs/dbraw/zinc/25/13/55/1318251355.db2.gz JTMMZETXTYENGG-UHFFFAOYSA-N 1 0 336.355 2.232 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001156915709 1318284220 /nfs/dbraw/zinc/28/42/20/1318284220.db2.gz IWERXLBHVSWDJM-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO COc1cc(N2CCC([NH2+]C3CC4(COC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256086689 1318644233 /nfs/dbraw/zinc/64/42/33/1318644233.db2.gz BDPLXYWMUCXHQF-UHFFFAOYSA-N 1 0 347.415 2.341 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093078 1318645852 /nfs/dbraw/zinc/64/58/52/1318645852.db2.gz FZCWDYIPOYGRBX-DYVFJYSZSA-N 1 0 349.431 2.275 20 5 EEBDRO COc1cc(N2CCC([NH2+]C3(CO)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001256103808 1318648826 /nfs/dbraw/zinc/64/88/26/1318648826.db2.gz ZSEOZVGIQNMUMX-UHFFFAOYSA-N 1 0 335.404 2.077 20 5 EEBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC001258018848 1319131380 /nfs/dbraw/zinc/13/13/80/1319131380.db2.gz GZQIQAFZJCIUSD-VXGBXAGGSA-N 1 0 332.360 2.297 20 5 EEBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258144906 1319190022 /nfs/dbraw/zinc/19/00/22/1319190022.db2.gz FOZRRVFQUSFCHV-VXGBXAGGSA-N 1 0 332.360 2.297 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159042158 1319574270 /nfs/dbraw/zinc/57/42/70/1319574270.db2.gz QETWGHDCEVOCLO-UHFFFAOYSA-N 1 0 332.738 2.378 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@@H]3COCC[NH2+]3)nn2)ccc1Cl ZINC001159048036 1319579055 /nfs/dbraw/zinc/57/90/55/1319579055.db2.gz YMTVXPTVSUVKAJ-LLVKDONJSA-N 1 0 349.778 2.106 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3ccc([N+](=O)[O-])cc3n2)O1 ZINC001159239002 1319698985 /nfs/dbraw/zinc/69/89/85/1319698985.db2.gz AVRDIQYWJARISB-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO [NH3+]C[C@]1(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160509870 1320179924 /nfs/dbraw/zinc/17/99/24/1320179924.db2.gz BWSUPJRMVXECGC-ZDUSSCGKSA-N 1 0 346.218 2.132 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001161933992 1320682819 /nfs/dbraw/zinc/68/28/19/1320682819.db2.gz FRCALOOSVJBAFX-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO Cc1cnc(NCC2(c3cccnc3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001162033251 1320727048 /nfs/dbraw/zinc/72/70/48/1320727048.db2.gz OHDMUOCEDSBGIM-UHFFFAOYSA-N 1 0 327.388 2.427 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162350599 1320833808 /nfs/dbraw/zinc/83/38/08/1320833808.db2.gz LBHSCTBGYJFJQV-CQSZACIVSA-N 1 0 326.784 2.216 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162458604 1320861132 /nfs/dbraw/zinc/86/11/32/1320861132.db2.gz VXFFQKWVGAKCJC-JQWIXIFHSA-N 1 0 336.392 2.132 20 5 EEBDRO CC(C)n1cnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001163267958 1321082460 /nfs/dbraw/zinc/08/24/60/1321082460.db2.gz UEFWKIYLYGAUCM-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO O=[N+]([O-])c1cccc2cnc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279406 1321086323 /nfs/dbraw/zinc/08/63/23/1321086323.db2.gz MHIDIUUWLHMTJH-YVEFUNNKSA-N 1 0 343.387 2.109 20 5 EEBDRO COc1c(F)cccc1[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163340430 1321101828 /nfs/dbraw/zinc/10/18/28/1321101828.db2.gz HVWYHNXNBYFRQK-VIFPVBQESA-N 1 0 347.350 2.392 20 5 EEBDRO CC/C(C)=C\C(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001164447699 1321381186 /nfs/dbraw/zinc/38/11/86/1321381186.db2.gz MWFXVTYAQVNIRZ-LCYFTJDESA-N 1 0 349.435 2.061 20 5 EEBDRO C[NH+]1C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2C1 ZINC001165145970 1321465097 /nfs/dbraw/zinc/46/50/97/1321465097.db2.gz AINQJUIZPHRINL-IUCAKERBSA-N 1 0 332.738 2.186 20 5 EEBDRO COc1cc2ncnc(N3CC[C@]4(C3)CCC[NH2+]C4)c2cc1[N+](=O)[O-] ZINC001165240914 1321481819 /nfs/dbraw/zinc/48/18/19/1321481819.db2.gz VZYBZBVZOKSCQH-QGZVFWFLSA-N 1 0 343.387 2.127 20 5 EEBDRO CCOC(=O)c1cnc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001165260564 1321485163 /nfs/dbraw/zinc/48/51/63/1321485163.db2.gz IIVRQAHFIRNTGS-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001165669213 1321561852 /nfs/dbraw/zinc/56/18/52/1321561852.db2.gz INKCXWXDMNPUHE-CYBMUJFWSA-N 1 0 349.435 2.209 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263201572 1322442947 /nfs/dbraw/zinc/44/29/47/1322442947.db2.gz IDTAILHYRSUZGJ-MELADBBJSA-N 1 0 346.431 2.406 20 5 EEBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001263333339 1322462871 /nfs/dbraw/zinc/46/28/71/1322462871.db2.gz KRGJVGDDFXAKOX-ZDUSSCGKSA-N 1 0 325.796 2.391 20 5 EEBDRO [NH3+]CCN(Cc1cccc2[nH]c(=O)oc21)c1ccc([N+](=O)[O-])cc1 ZINC001308740436 1331603380 /nfs/dbraw/zinc/60/33/80/1331603380.db2.gz LNCNDRRKSGEJGT-UHFFFAOYSA-N 1 0 328.328 2.407 20 5 EEBDRO CC1CC[NH+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001318778009 1332594641 /nfs/dbraw/zinc/59/46/41/1332594641.db2.gz OJYXFWHKGISFRM-UHFFFAOYSA-N 1 0 332.404 2.352 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001320212996 1332848889 /nfs/dbraw/zinc/84/88/89/1332848889.db2.gz QVXBGJOIHFYPJU-LBPRGKRZSA-N 1 0 330.344 2.366 20 5 EEBDRO CC(C)c1noc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001327976882 1334372862 /nfs/dbraw/zinc/37/28/62/1334372862.db2.gz BBEGJVVVWDJGBS-UHFFFAOYSA-N 1 0 347.375 2.262 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001331436576 1335013623 /nfs/dbraw/zinc/01/36/23/1335013623.db2.gz YLIDRWIEKDZKQH-ZDUSSCGKSA-N 1 0 332.404 2.352 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001331973335 1335693296 /nfs/dbraw/zinc/69/32/96/1335693296.db2.gz OUZUOOVHUSVFCB-WFASDCNBSA-N 1 0 347.394 2.267 20 5 EEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001331982556 1335696221 /nfs/dbraw/zinc/69/62/21/1335696221.db2.gz CZSPSSRKFFHNFM-UHFFFAOYSA-N 1 0 334.781 2.051 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOC4CC4)CC3)nc2c1 ZINC001332885712 1335924736 /nfs/dbraw/zinc/92/47/36/1335924736.db2.gz MNMBJIKCPUITDM-UHFFFAOYSA-N 1 0 345.403 2.162 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC001333502972 1336059892 /nfs/dbraw/zinc/05/98/92/1336059892.db2.gz SSWCAWCOMQMJTR-STQMWFEESA-N 1 0 342.396 2.243 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480932 1336382643 /nfs/dbraw/zinc/38/26/43/1336382643.db2.gz DBNCLHXAKWRWAQ-HFBAOOFYSA-N 1 0 334.372 2.356 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](C2CCC2)C2CCCCC2)c1 ZINC001336001753 1336463621 /nfs/dbraw/zinc/46/36/21/1336463621.db2.gz IUGSXPYEMMCCTF-DLBZAZTESA-N 1 0 336.436 2.491 20 5 EEBDRO Cc1cccnc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724199 1336585908 /nfs/dbraw/zinc/58/59/08/1336585908.db2.gz ZXIAOMBNPHTDGN-KGLIPLIRSA-N 1 0 331.372 2.389 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576487442 1344022105 /nfs/dbraw/zinc/02/21/05/1344022105.db2.gz QOFFYBVMJNDVFS-LLVKDONJSA-N 1 0 331.294 2.484 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911026 1344074979 /nfs/dbraw/zinc/07/49/79/1344074979.db2.gz WSQHSPOPANAWEE-NOZJJQNGSA-N 1 0 334.376 2.004 20 5 EEBDRO COc1cc(C(=O)NC2(C(F)(F)F)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001579140746 1344342678 /nfs/dbraw/zinc/34/26/78/1344342678.db2.gz BSZREBJSICQLQP-UHFFFAOYSA-N 1 0 347.293 2.018 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1F ZINC001579642361 1344402372 /nfs/dbraw/zinc/40/23/72/1344402372.db2.gz BVSCAZYVRFNSST-SECBINFHSA-N 1 0 327.331 2.381 20 5 EEBDRO Nc1c(NC(=O)NC[C@H]2CCC[NH2+]CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001580432486 1344519451 /nfs/dbraw/zinc/51/94/51/1344519451.db2.gz SAYLJVMRMLRUCZ-VIFPVBQESA-N 1 0 341.799 2.342 20 5 EEBDRO CC(C)[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001589518234 1348999182 /nfs/dbraw/zinc/99/91/82/1348999182.db2.gz RCMCGUWCSAFMPA-CQSZACIVSA-N 1 0 348.432 2.348 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC001593476226 1349809817 /nfs/dbraw/zinc/80/98/17/1349809817.db2.gz UJRBPUIKHMRAIR-UHFFFAOYSA-N 1 0 342.334 2.246 20 5 EEBDRO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605734672 1351219755 /nfs/dbraw/zinc/21/97/55/1351219755.db2.gz KJQGSQKSMXCOKP-LLVKDONJSA-N 1 0 345.407 2.227 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896303 1372573770 /nfs/dbraw/zinc/57/37/70/1372573770.db2.gz KKOWYQNOZRECBW-PPHDSNJXSA-N 1 0 345.403 2.481 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)c1 ZINC000848627775 1373161864 /nfs/dbraw/zinc/16/18/64/1373161864.db2.gz KWHPTZKZZMNGOZ-GUYCJALGSA-N 1 0 344.371 2.434 20 5 EEBDRO COc1cc(Cc2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623494 1373162291 /nfs/dbraw/zinc/16/22/91/1373162291.db2.gz KFXOGLNRERLQOO-PXAZEXFGSA-N 1 0 344.371 2.434 20 5 EEBDRO CCOCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754623225 1406936193 /nfs/dbraw/zinc/93/61/93/1406936193.db2.gz WZHOGBANKFQLNY-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC[NH2+]CC1 ZINC001577643483 1403666242 /nfs/dbraw/zinc/66/62/42/1403666242.db2.gz FJSSUKCXPIUEPP-UHFFFAOYSA-N 1 0 343.387 2.199 20 5 EEBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001578456745 1403760139 /nfs/dbraw/zinc/76/01/39/1403760139.db2.gz RJLSQEOTBDBTDP-NSHDSACASA-N 1 0 332.385 2.152 20 5 EEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001580251021 1403854551 /nfs/dbraw/zinc/85/45/51/1403854551.db2.gz YZOSIBNMUAGXNF-BLLLJJGKSA-N 1 0 335.429 2.417 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)CC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001101647004 1410714191 /nfs/dbraw/zinc/71/41/91/1410714191.db2.gz FWBSYENUHGOGMG-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CC[NH+]2CCCCC2)n1 ZINC001101647107 1410714226 /nfs/dbraw/zinc/71/42/26/1410714226.db2.gz KUMXUEMTMMRCQA-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001167148921 757402412 /nfs/dbraw/zinc/40/24/12/757402412.db2.gz BIILDEGRHQXBEQ-UHFFFAOYSA-N 1 0 345.403 2.351 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167673870 761088593 /nfs/dbraw/zinc/08/85/93/761088593.db2.gz HHXGVFAAXQDIMU-UHFFFAOYSA-N 1 0 327.266 2.046 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000921420059 773349090 /nfs/dbraw/zinc/34/90/90/773349090.db2.gz SHWVLZKQECRJFR-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@](C)(C[NH3+])C1 ZINC000261651755 779659624 /nfs/dbraw/zinc/65/96/24/779659624.db2.gz HJKNOEMZGKKDEZ-ZUZCIYMTSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000809861271 783427524 /nfs/dbraw/zinc/42/75/24/783427524.db2.gz XODBPHUFWFYHAW-JTQLQIEISA-N 1 0 349.840 2.255 20 5 EEBDRO [NH3+]CCCCCCCn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000818619561 785304013 /nfs/dbraw/zinc/30/40/13/785304013.db2.gz FAUAHQYYTOKPDS-UHFFFAOYSA-N 1 0 332.198 2.428 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@H]2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818592278 785315156 /nfs/dbraw/zinc/31/51/56/785315156.db2.gz YEDVPFAHLRZLQH-NSHDSACASA-N 1 0 336.348 2.155 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000818596850 785316955 /nfs/dbraw/zinc/31/69/55/785316955.db2.gz OPJIYWPTFNKKCO-UHFFFAOYSA-N 1 0 329.759 2.270 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000819160734 785438508 /nfs/dbraw/zinc/43/85/08/785438508.db2.gz ISYHWCXQXGBUCR-CQSZACIVSA-N 1 0 337.763 2.345 20 5 EEBDRO O=C(C[NH+]1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000820386084 785893460 /nfs/dbraw/zinc/89/34/60/785893460.db2.gz PPVFTYJMJHKGLH-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107204748 786395521 /nfs/dbraw/zinc/39/55/21/786395521.db2.gz RNWXKRHYTZKNDK-WAYWQWQTSA-N 1 0 338.383 2.160 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107269603 786669686 /nfs/dbraw/zinc/66/96/86/786669686.db2.gz UBNNIIJGKGFSCV-SREVYHEPSA-N 1 0 334.420 2.411 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])cc1C ZINC001107275461 786686700 /nfs/dbraw/zinc/68/67/00/786686700.db2.gz VNBOKYHCPBRHIS-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO CCOC(=O)CN(CC[NH3+])c1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001170996271 787381311 /nfs/dbraw/zinc/38/13/11/787381311.db2.gz MYQHBUJAQQZFLI-UHFFFAOYSA-N 1 0 339.392 2.019 20 5 EEBDRO O=C(c1cc(F)c[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996808743 787649750 /nfs/dbraw/zinc/64/97/50/787649750.db2.gz ODWXLTIWVCCSJT-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO Cc1n[nH]cc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996861964 787874309 /nfs/dbraw/zinc/87/43/09/787874309.db2.gz YPLHNXUBGQKVMI-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000912767577 788353381 /nfs/dbraw/zinc/35/33/81/788353381.db2.gz MSPQRMOBQNRTGG-LLVKDONJSA-N 1 0 329.759 2.457 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825111824 788441871 /nfs/dbraw/zinc/44/18/71/788441871.db2.gz PZRODKXCNHNCEU-PBHICJAKSA-N 1 0 349.431 2.257 20 5 EEBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000843987303 788768402 /nfs/dbraw/zinc/76/84/02/788768402.db2.gz CPUWSGLCMRUORV-LBPRGKRZSA-N 1 0 339.367 2.055 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923445008 789554581 /nfs/dbraw/zinc/55/45/81/789554581.db2.gz SRKJACJKLUUPOS-MGPQQGTHSA-N 1 0 334.420 2.303 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000846153703 790065407 /nfs/dbraw/zinc/06/54/07/790065407.db2.gz GZPIZJUOZPDQGJ-UHFFFAOYSA-N 1 0 340.811 2.437 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001146289202 791164214 /nfs/dbraw/zinc/16/42/14/791164214.db2.gz TTWDMDPTUMPNIL-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO COc1ccc([N+](=O)[O-])nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171285747 791495716 /nfs/dbraw/zinc/49/57/16/791495716.db2.gz MHSCFANYTWQUQY-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1csc(Cl)n1 ZINC001146814263 791502041 /nfs/dbraw/zinc/50/20/41/791502041.db2.gz PKJAYTYMEMHJRL-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO Cc1nn(C(C)C)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147579382 791875367 /nfs/dbraw/zinc/87/53/67/791875367.db2.gz HLRMOPKKFMEMFL-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnc(C2CC2)s1 ZINC001148602502 792556194 /nfs/dbraw/zinc/55/61/94/792556194.db2.gz FDJLAVOUWSIZIJ-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(I)c(F)cn1 ZINC001234522487 795285254 /nfs/dbraw/zinc/28/52/54/795285254.db2.gz NDFNWBGDAMCGHA-QMMMGPOBSA-N 1 0 339.172 2.299 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093670636 795561855 /nfs/dbraw/zinc/56/18/55/795561855.db2.gz BBISDEMNDSYBQY-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001106777100 796509239 /nfs/dbraw/zinc/50/92/39/796509239.db2.gz KJBMLMPMPCRRQU-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899676 797128910 /nfs/dbraw/zinc/12/89/10/797128910.db2.gz BRUFICGZPUTMDH-DOTOQJQBSA-N 1 0 349.431 2.102 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)c2ccncc2)c1F ZINC001173182676 797280545 /nfs/dbraw/zinc/28/05/45/797280545.db2.gz JTMATQOVDHIJCR-BXUZGUMPSA-N 1 0 349.362 2.392 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173187346 797281110 /nfs/dbraw/zinc/28/11/10/797281110.db2.gz ZPWWBAAXFNERGO-LBPRGKRZSA-N 1 0 325.384 2.311 20 5 EEBDRO CCN(CC(=O)OC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194593 797283726 /nfs/dbraw/zinc/28/37/26/797283726.db2.gz VZKMZDAVJLULRW-SNVBAGLBSA-N 1 0 328.340 2.168 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cncnc2)CC1 ZINC001173230984 797312182 /nfs/dbraw/zinc/31/21/82/797312182.db2.gz HUPKAFFRWKKIJB-AWEZNQCLSA-N 1 0 327.388 2.138 20 5 EEBDRO CC1=NC2(CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1C ZINC001173232305 797312438 /nfs/dbraw/zinc/31/24/38/797312438.db2.gz AQGRCMQMQTUQPI-CYBMUJFWSA-N 1 0 344.415 2.251 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001173235831 797313671 /nfs/dbraw/zinc/31/36/71/797313671.db2.gz ZRMKQPFGSGHEQO-GFCCVEGCSA-N 1 0 326.418 2.035 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001173210056 797314159 /nfs/dbraw/zinc/31/41/59/797314159.db2.gz HJAHQEGGTPQIDN-DZGCQCFKSA-N 1 0 327.388 2.184 20 5 EEBDRO C[NH+](C)CC1(C(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001095246198 797557832 /nfs/dbraw/zinc/55/78/32/797557832.db2.gz HIZQQMXQJFIPQP-UHFFFAOYSA-N 1 0 346.431 2.340 20 5 EEBDRO O=C(NC1CC[NH+](CC2CCC(F)(F)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787145 798609545 /nfs/dbraw/zinc/60/95/45/798609545.db2.gz GKSDULLBJUWEQQ-ZIAGYGMSSA-N 1 0 345.390 2.058 20 5 EEBDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001178458368 799484202 /nfs/dbraw/zinc/48/42/02/799484202.db2.gz DDMKNACNZMYTFE-IAGOWNOFSA-N 1 0 349.431 2.127 20 5 EEBDRO COc1cc(Cc2noc(CC3([NH3+])CCC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226084 799498713 /nfs/dbraw/zinc/49/87/13/799498713.db2.gz UZLSEYYOCLISIW-UHFFFAOYSA-N 1 0 348.359 2.010 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110266550 801086328 /nfs/dbraw/zinc/08/63/28/801086328.db2.gz YMSCXACHXWNIRE-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922460848 801112689 /nfs/dbraw/zinc/11/26/89/801112689.db2.gz CXQPCEVIHWYAGK-UHFFFAOYSA-N 1 0 347.396 2.167 20 5 EEBDRO CC(=O)Nc1ccc(-n2cnc(C)c2CSCC[NH3+])cc1[N+](=O)[O-] ZINC001168790174 803339173 /nfs/dbraw/zinc/33/91/73/803339173.db2.gz BUZRHVOKFLFPDW-UHFFFAOYSA-N 1 0 349.416 2.239 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168965108 803552173 /nfs/dbraw/zinc/55/21/73/803552173.db2.gz YDQVPYUQZSWEOK-AIEDFZFUSA-N 1 0 339.436 2.134 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965996 803552643 /nfs/dbraw/zinc/55/26/43/803552643.db2.gz FMDNMUXQQXKGNV-TZMCWYRMSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC001168966511 803552849 /nfs/dbraw/zinc/55/28/49/803552849.db2.gz IVPXKAIBPVNBBM-JKSUJKDBSA-N 1 0 325.453 2.057 20 5 EEBDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992002 803559854 /nfs/dbraw/zinc/55/98/54/803559854.db2.gz IZDJEKMVOATEMZ-HIFRSBDPSA-N 1 0 325.453 2.449 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012503 803571567 /nfs/dbraw/zinc/57/15/67/803571567.db2.gz QPKNABSYNRUDJP-STQMWFEESA-N 1 0 325.409 2.127 20 5 EEBDRO CC(C)(C)OC(=O)NCCC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033946 803578419 /nfs/dbraw/zinc/57/84/19/803578419.db2.gz DVJKRQVFCWMPKE-OCCSQVGLSA-N 1 0 327.425 2.278 20 5 EEBDRO NC(=O)c1ccc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036770 803580087 /nfs/dbraw/zinc/58/00/87/803580087.db2.gz HHVOZPXTRKEEED-UKRRQHHQSA-N 1 0 347.415 2.074 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCn3cnc(COCC4CC4)c3C2)C1 ZINC001169024199 803589691 /nfs/dbraw/zinc/58/96/91/803589691.db2.gz QLHHBPKLUALOJL-HZPDHXFCSA-N 1 0 348.447 2.461 20 5 EEBDRO CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047602 803593388 /nfs/dbraw/zinc/59/33/88/803593388.db2.gz RMELBBIRRWLWIP-CHWSQXEVSA-N 1 0 327.425 2.278 20 5 EEBDRO O=C1CC2(CN1CC1CC1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169053197 803595742 /nfs/dbraw/zinc/59/57/42/803595742.db2.gz HYGGXQIVHSHXEE-JKSUJKDBSA-N 1 0 335.448 2.156 20 5 EEBDRO COc1ccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc1 ZINC001169056353 803597988 /nfs/dbraw/zinc/59/79/88/803597988.db2.gz SJIPCVVSPULFPG-DZGCQCFKSA-N 1 0 334.420 2.094 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(CC[NH3+])c3ncccc32)c1 ZINC001169711263 803983585 /nfs/dbraw/zinc/98/35/85/803983585.db2.gz UNLDSJFDKZPJJK-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000787759130 807207887 /nfs/dbraw/zinc/20/78/87/807207887.db2.gz KTUUYDABIDPTLD-UHFFFAOYSA-N 1 0 347.419 2.135 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000791826837 809446130 /nfs/dbraw/zinc/44/61/30/809446130.db2.gz RCNKTVOOTQSGPT-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO COc1ccc(C[C@@H](C)N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001170305525 809874951 /nfs/dbraw/zinc/87/49/51/809874951.db2.gz MQDSQXZUPLXSMA-CYBMUJFWSA-N 1 0 330.388 2.395 20 5 EEBDRO COc1ccc(C[C@H](C)n2[nH]c(=O)c(CC[NH3+])c2C)c([N+](=O)[O-])c1 ZINC001170313389 809886282 /nfs/dbraw/zinc/88/62/82/809886282.db2.gz LUSACBCKOZOPIX-JTQLQIEISA-N 1 0 334.376 2.119 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170313983 809886624 /nfs/dbraw/zinc/88/66/24/809886624.db2.gz SKJSFRLGSNKWAN-BNOWGMLFSA-N 1 0 336.388 2.466 20 5 EEBDRO COCCOCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170319212 809888649 /nfs/dbraw/zinc/88/86/49/809888649.db2.gz VJIFFYCBAZUZFM-CYBMUJFWSA-N 1 0 326.393 2.177 20 5 EEBDRO COC(=O)C1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170336562 809898806 /nfs/dbraw/zinc/89/88/06/809898806.db2.gz ZIKOVTOJDXCMBD-GFCCVEGCSA-N 1 0 336.388 2.419 20 5 EEBDRO CC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170355848 809902968 /nfs/dbraw/zinc/90/29/68/809902968.db2.gz REBFVCGGMJMWRE-CWRNSKLLSA-N 1 0 333.432 2.418 20 5 EEBDRO C[NH+]1C(C)(C)CC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1(C)C ZINC001170451270 810867029 /nfs/dbraw/zinc/86/70/29/810867029.db2.gz QLZFGMSORFFYRL-UHFFFAOYSA-N 1 0 335.408 2.152 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnc(C2CC2)o1 ZINC001129737827 810976778 /nfs/dbraw/zinc/97/67/78/810976778.db2.gz OTXOIQCTWPFJJH-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO CCOC(=O)C1=C(Nc2cc(OC)c(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001170517620 812070117 /nfs/dbraw/zinc/07/01/17/812070117.db2.gz RASKXWJBTHDPFW-UHFFFAOYSA-N 1 0 335.360 2.134 20 5 EEBDRO CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158203594 812340719 /nfs/dbraw/zinc/34/07/19/812340719.db2.gz ALAYWXGVAJYAIH-QMMMGPOBSA-N 1 0 331.829 2.338 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418787558 529933685 /nfs/dbraw/zinc/93/36/85/529933685.db2.gz JCXBPXYJSHVQFN-HRCADAONSA-N 1 0 346.431 2.167 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183611682 235164370 /nfs/dbraw/zinc/16/43/70/235164370.db2.gz QJIIWSAAFDBKDX-UHFFFAOYSA-N 1 0 333.348 2.179 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000188734553 236657171 /nfs/dbraw/zinc/65/71/71/236657171.db2.gz FHOIXGVOPRUUDD-CQSZACIVSA-N 1 0 345.399 2.353 20 5 EEBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000424071777 283608680 /nfs/dbraw/zinc/60/86/80/283608680.db2.gz FCTRGEFVYOEGDV-CQSZACIVSA-N 1 0 341.367 2.280 20 5 EEBDRO CC(C)[NH+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000032245190 201069998 /nfs/dbraw/zinc/06/99/98/201069998.db2.gz UPMWULLAMNRBKQ-UHFFFAOYSA-N 1 0 333.392 2.320 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CC[NH2+]CC1 ZINC000415442000 238965339 /nfs/dbraw/zinc/96/53/39/238965339.db2.gz PPCIMIXTXGMWOC-UHFFFAOYSA-N 1 0 332.282 2.487 20 5 EEBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000423642100 240558759 /nfs/dbraw/zinc/55/87/59/240558759.db2.gz HYQOJYSDAMYSEY-ZUZCIYMTSA-N 1 0 339.370 2.382 20 5 EEBDRO Cn1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102190 241376512 /nfs/dbraw/zinc/37/65/12/241376512.db2.gz FJBWWXPJZFPXPO-WMLDXEAASA-N 1 0 341.415 2.179 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229726567 242194129 /nfs/dbraw/zinc/19/41/29/242194129.db2.gz MLAUVZFDFBSZRY-ZBFHGGJFSA-N 1 0 332.404 2.017 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c2c(c1)COCO2 ZINC000449558507 242562347 /nfs/dbraw/zinc/56/23/47/242562347.db2.gz WLLPUTFPXJUNIT-IGCXYCKISA-N 1 0 348.399 2.444 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449682768 242599139 /nfs/dbraw/zinc/59/91/39/242599139.db2.gz OMIIXPAVQJZVPJ-CYBMUJFWSA-N 1 0 343.387 2.043 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000456394499 244244051 /nfs/dbraw/zinc/24/40/51/244244051.db2.gz YRPVXLSXBFJAFW-AWEZNQCLSA-N 1 0 335.404 2.468 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000456544035 244284171 /nfs/dbraw/zinc/28/41/71/244284171.db2.gz GBPVBJYGFVFZBD-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000262494294 245002516 /nfs/dbraw/zinc/00/25/16/245002516.db2.gz VZTLPQJCBQESOI-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262578414 245043612 /nfs/dbraw/zinc/04/36/12/245043612.db2.gz MMGQEUWVMCKSIN-SECBINFHSA-N 1 0 331.294 2.343 20 5 EEBDRO [NH3+]C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000262613086 245067639 /nfs/dbraw/zinc/06/76/39/245067639.db2.gz ZFLGUCZHZWQQQI-AWEZNQCLSA-N 1 0 335.404 2.388 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3COC[C@H]3OC)o2)c([N+](=O)[O-])c1 ZINC000459754568 245236575 /nfs/dbraw/zinc/23/65/75/245236575.db2.gz LLQYHDHIPCGIDZ-WMLDXEAASA-N 1 0 348.355 2.367 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000109619820 204289007 /nfs/dbraw/zinc/28/90/07/204289007.db2.gz KTSLCTBYUZFKMA-UHFFFAOYSA-N 1 0 337.424 2.263 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127734740 205115493 /nfs/dbraw/zinc/11/54/93/205115493.db2.gz OSTKSPVVQWVOLU-UHFFFAOYSA-N 1 0 338.408 2.254 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000128159500 205136084 /nfs/dbraw/zinc/13/60/84/205136084.db2.gz XHGMAIARJUVYFF-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000134015765 205388812 /nfs/dbraw/zinc/38/88/12/205388812.db2.gz MPDCTGYFURIQBA-TZMCWYRMSA-N 1 0 343.387 2.101 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000155614508 206020650 /nfs/dbraw/zinc/02/06/50/206020650.db2.gz MPFOQQHGMQACAO-CQSZACIVSA-N 1 0 331.376 2.109 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000155937249 206045251 /nfs/dbraw/zinc/04/52/51/206045251.db2.gz LQNWXUYMZUHCPC-QGZVFWFLSA-N 1 0 330.388 2.064 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000156107534 206057069 /nfs/dbraw/zinc/05/70/69/206057069.db2.gz AHKJYAYGJQVXCC-WCQYABFASA-N 1 0 334.376 2.304 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365220804 296219414 /nfs/dbraw/zinc/21/94/14/296219414.db2.gz GXVRROMKQOBART-DZGCQCFKSA-N 1 0 344.415 2.019 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000265102265 247203337 /nfs/dbraw/zinc/20/33/37/247203337.db2.gz FDHARAXNINFIFS-CYBMUJFWSA-N 1 0 332.404 2.092 20 5 EEBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160911808 206318055 /nfs/dbraw/zinc/31/80/55/206318055.db2.gz HXMZXPZNSAQHGX-QWHCGFSZSA-N 1 0 333.388 2.092 20 5 EEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063640 248071920 /nfs/dbraw/zinc/07/19/20/248071920.db2.gz WJHNSPNSHIIXFG-IAGOWNOFSA-N 1 0 334.416 2.389 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103243 248098151 /nfs/dbraw/zinc/09/81/51/248098151.db2.gz SGYATZCGUONJGY-BZNIZROVSA-N 1 0 330.388 2.488 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000173801379 206959830 /nfs/dbraw/zinc/95/98/30/206959830.db2.gz ZLBOWYNMYYSCTH-CQSZACIVSA-N 1 0 348.447 2.465 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174872796 207067047 /nfs/dbraw/zinc/06/70/47/207067047.db2.gz SIBVBISSRDHSKB-INIZCTEOSA-N 1 0 343.431 2.388 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175390306 207121940 /nfs/dbraw/zinc/12/19/40/207121940.db2.gz ZOWFGZAKHKJMTD-AWEZNQCLSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176135339 207193718 /nfs/dbraw/zinc/19/37/18/207193718.db2.gz IRGIGIPRCJIEAI-RYUDHWBXSA-N 1 0 341.433 2.276 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)n1 ZINC000176227858 207204014 /nfs/dbraw/zinc/20/40/14/207204014.db2.gz SHDMRPYPLOYSGW-CQSZACIVSA-N 1 0 344.371 2.400 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000178161412 207450066 /nfs/dbraw/zinc/45/00/66/207450066.db2.gz LWJGFLQFCDQFGL-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180661867 207816501 /nfs/dbraw/zinc/81/65/01/207816501.db2.gz YEHIAXGEVRSLHQ-CHWSQXEVSA-N 1 0 334.420 2.275 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCSC1 ZINC000267072730 256024102 /nfs/dbraw/zinc/02/41/02/256024102.db2.gz IYHOYOILQSCTJA-CYBMUJFWSA-N 1 0 326.378 2.352 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000270598096 256152275 /nfs/dbraw/zinc/15/22/75/256152275.db2.gz VRQOFUJARPIJLL-CYBMUJFWSA-N 1 0 331.347 2.385 20 5 EEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146814 256212741 /nfs/dbraw/zinc/21/27/41/256212741.db2.gz RTWWLQAKDSMVHR-GDBMZVCRSA-N 1 0 349.431 2.266 20 5 EEBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000270857324 256179972 /nfs/dbraw/zinc/17/99/72/256179972.db2.gz HSPVKFURXAHWBS-WDMOLILDSA-N 1 0 332.360 2.409 20 5 EEBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000270860773 256180910 /nfs/dbraw/zinc/18/09/10/256180910.db2.gz ICMZHHUOLNKPIF-RBZYPMLTSA-N 1 0 341.795 2.278 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000272898169 256247868 /nfs/dbraw/zinc/24/78/68/256247868.db2.gz ZZCYECYOMTUESJ-ZDUSSCGKSA-N 1 0 332.360 2.081 20 5 EEBDRO COC1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273400757 256293541 /nfs/dbraw/zinc/29/35/41/256293541.db2.gz WIJUOEGEANJKJC-SHARSMKWSA-N 1 0 338.404 2.224 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000341328258 292169105 /nfs/dbraw/zinc/16/91/05/292169105.db2.gz KHYRGUWZLBPSFW-UHFFFAOYSA-N 1 0 335.404 2.214 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000117760480 152083464 /nfs/dbraw/zinc/08/34/64/152083464.db2.gz APIPTRCJBFOSAZ-AWEZNQCLSA-N 1 0 325.796 2.247 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000377279087 154122889 /nfs/dbraw/zinc/12/28/89/154122889.db2.gz SQZBNVVNJSUNEZ-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248628900 160352874 /nfs/dbraw/zinc/35/28/74/160352874.db2.gz QUUUDERFMGAIMU-QZTJIDSGSA-N 1 0 344.415 2.249 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927538 286567846 /nfs/dbraw/zinc/56/78/46/286567846.db2.gz SAUJMFOBZSJTGO-UONOGXRCSA-N 1 0 337.420 2.365 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072834219 159045437 /nfs/dbraw/zinc/04/54/37/159045437.db2.gz NGWJTUCLOFBMGZ-INIZCTEOSA-N 1 0 334.420 2.340 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000078597192 159120273 /nfs/dbraw/zinc/12/02/73/159120273.db2.gz ADDNOYGROLMADO-AWEZNQCLSA-N 1 0 349.412 2.454 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154981401 159694563 /nfs/dbraw/zinc/69/45/63/159694563.db2.gz MAXQKKYASQFNAK-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186782551 160083632 /nfs/dbraw/zinc/08/36/32/160083632.db2.gz HNLCGFONBUSCSK-UHFFFAOYSA-N 1 0 332.404 2.335 20 5 EEBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2cccnc2)c1[N+](=O)[O-] ZINC000237604578 160223100 /nfs/dbraw/zinc/22/31/00/160223100.db2.gz SBKMHKHPXZLZKI-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245443768 160235354 /nfs/dbraw/zinc/23/53/54/160235354.db2.gz JCPAYZHHAICDFF-KGLIPLIRSA-N 1 0 334.420 2.195 20 5 EEBDRO COc1ccc(OCC[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245556133 160242128 /nfs/dbraw/zinc/24/21/28/160242128.db2.gz UFKCVBIMXPIRJB-CZUORRHYSA-N 1 0 338.404 2.465 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000245836556 160253726 /nfs/dbraw/zinc/25/37/26/160253726.db2.gz AQWZKHSBTDQAEA-UONOGXRCSA-N 1 0 349.435 2.055 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000247013500 160305791 /nfs/dbraw/zinc/30/57/91/160305791.db2.gz ZESMKQNUHJSWJH-DVOMOZLQSA-N 1 0 333.388 2.423 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000342117724 161041001 /nfs/dbraw/zinc/04/10/01/161041001.db2.gz ZIWUMRQPDKDYKI-AJNGGQMLSA-N 1 0 346.431 2.289 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)n1 ZINC000342214854 161047986 /nfs/dbraw/zinc/04/79/86/161047986.db2.gz JDVSIJUDMXJXSH-UHFFFAOYSA-N 1 0 343.387 2.217 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000342227105 161049114 /nfs/dbraw/zinc/04/91/14/161049114.db2.gz XUEWXTLFVQENNE-XETPBLJFSA-N 1 0 338.429 2.413 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000342721740 161085762 /nfs/dbraw/zinc/08/57/62/161085762.db2.gz IBIPBUDTJANAPB-YDHLFZDLSA-N 1 0 334.420 2.303 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343266941 161118715 /nfs/dbraw/zinc/11/87/15/161118715.db2.gz MTXWYKCETKMDMG-QWHCGFSZSA-N 1 0 328.372 2.433 20 5 EEBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1csc([N+](=O)[O-])c1 ZINC000355305365 163138692 /nfs/dbraw/zinc/13/86/92/163138692.db2.gz IGEBUKNWZBIZJE-AWEZNQCLSA-N 1 0 347.396 2.475 20 5 EEBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1csc([N+](=O)[O-])c1 ZINC000355305369 163138923 /nfs/dbraw/zinc/13/89/23/163138923.db2.gz IGEBUKNWZBIZJE-CQSZACIVSA-N 1 0 347.396 2.475 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000358424139 163905178 /nfs/dbraw/zinc/90/51/78/163905178.db2.gz OXZMYNPMXLRSFG-OAHLLOKOSA-N 1 0 335.379 2.363 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360451857 164314333 /nfs/dbraw/zinc/31/43/33/164314333.db2.gz LKOSEJSGRDLSHK-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360667401 164360598 /nfs/dbraw/zinc/36/05/98/164360598.db2.gz XCMPHAIJDZSNMN-VHSXEESVSA-N 1 0 347.824 2.009 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362888968 164826266 /nfs/dbraw/zinc/82/62/66/164826266.db2.gz CJAXYNILLCOINP-CXAGYDPISA-N 1 0 347.415 2.162 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000374429924 167040737 /nfs/dbraw/zinc/04/07/37/167040737.db2.gz QOQIJWSICUXFIC-NJAFHUGGSA-N 1 0 349.431 2.157 20 5 EEBDRO CCOC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815583 268580377 /nfs/dbraw/zinc/58/03/77/268580377.db2.gz HDBSRJYIZRAIMG-HOTGVXAUSA-N 1 0 335.404 2.351 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000272715059 269012232 /nfs/dbraw/zinc/01/22/32/269012232.db2.gz WDLBHHRUTFXGHL-BBWFWOEESA-N 1 0 336.388 2.420 20 5 EEBDRO CCc1n[nH]c(C(=O)N(CC)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000277895357 269195633 /nfs/dbraw/zinc/19/56/33/269195633.db2.gz GCURCZIGZRECNL-UHFFFAOYSA-N 1 0 325.413 2.074 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194232185 274069022 /nfs/dbraw/zinc/06/90/22/274069022.db2.gz WJAMZERMUHTHBH-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272095207 274165996 /nfs/dbraw/zinc/16/59/96/274165996.db2.gz FJLOBVGKKUKLLK-UHFFFAOYSA-N 1 0 329.347 2.485 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@H]1[NH3+] ZINC000423980965 274331829 /nfs/dbraw/zinc/33/18/29/274331829.db2.gz QKDKXFOSQNDGNJ-MEBBXXQBSA-N 1 0 339.370 2.240 20 5 EEBDRO Cc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000278457598 274358163 /nfs/dbraw/zinc/35/81/63/274358163.db2.gz XUQREABYYFSKRT-UHFFFAOYSA-N 1 0 332.404 2.090 20 5 EEBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566443 274374409 /nfs/dbraw/zinc/37/44/09/274374409.db2.gz CYYMWNXMKAIBPA-SJKOYZFVSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC1CCC1 ZINC000279866714 274554593 /nfs/dbraw/zinc/55/45/93/274554593.db2.gz SXHRKLYESQIQMJ-DOMZBBRYSA-N 1 0 335.404 2.453 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000280920300 274611687 /nfs/dbraw/zinc/61/16/87/274611687.db2.gz HEDPYAGRYLFCKV-NSHDSACASA-N 1 0 342.417 2.221 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000287956395 275009764 /nfs/dbraw/zinc/00/97/64/275009764.db2.gz SMTLYOJQLWKGDA-GFCCVEGCSA-N 1 0 336.392 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000453359936 275037932 /nfs/dbraw/zinc/03/79/32/275037932.db2.gz UZOOLJDLIOIVTO-JZXOWHBKSA-N 1 0 331.416 2.425 20 5 EEBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OCCO ZINC000288430569 275057601 /nfs/dbraw/zinc/05/76/01/275057601.db2.gz KTXPAHZTFLYGPB-UHFFFAOYSA-N 1 0 334.319 2.073 20 5 EEBDRO CN(C)c1ccccc1CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289125484 275100390 /nfs/dbraw/zinc/10/03/90/275100390.db2.gz XIOKBLFRBNATGY-UHFFFAOYSA-N 1 0 342.399 2.392 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289226129 275104764 /nfs/dbraw/zinc/10/47/64/275104764.db2.gz LQKSTIPYINFDHC-MRXNPFEDSA-N 1 0 337.807 2.393 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290438679 275207304 /nfs/dbraw/zinc/20/73/04/275207304.db2.gz BSCZJUGSENOWLR-LBPRGKRZSA-N 1 0 335.408 2.013 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000290723496 275233361 /nfs/dbraw/zinc/23/33/61/275233361.db2.gz XWUWWNBZJHBGLP-LLVKDONJSA-N 1 0 337.376 2.174 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H](n2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291148227 275275650 /nfs/dbraw/zinc/27/56/50/275275650.db2.gz AEARJICTJQIKID-ZDUSSCGKSA-N 1 0 329.360 2.067 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291469259 275308400 /nfs/dbraw/zinc/30/84/00/275308400.db2.gz BXIJBLVGDDLFSX-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000044670854 276186920 /nfs/dbraw/zinc/18/69/20/276186920.db2.gz JSGBWOOEUYZDBE-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1C ZINC000345166013 276250938 /nfs/dbraw/zinc/25/09/38/276250938.db2.gz VKTMQEWNSPIPAD-OLZOCXBDSA-N 1 0 346.431 2.406 20 5 EEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344980750 277180389 /nfs/dbraw/zinc/18/03/89/277180389.db2.gz WLYGBNMQVPYTOJ-LSDHHAIUSA-N 1 0 325.796 2.153 20 5 EEBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+](C)C1CC1 ZINC000128349421 278198380 /nfs/dbraw/zinc/19/83/80/278198380.db2.gz YOMHECIDZARQFT-LLVKDONJSA-N 1 0 330.388 2.218 20 5 EEBDRO Cc1cccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000364602279 278923322 /nfs/dbraw/zinc/92/33/22/278923322.db2.gz AQOBIIQVGNWCDR-HZPDHXFCSA-N 1 0 332.448 2.365 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353869466 280605822 /nfs/dbraw/zinc/60/58/22/280605822.db2.gz LAGBKVIZGLQJMM-BXUZGUMPSA-N 1 0 326.418 2.383 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282975066 292874530 /nfs/dbraw/zinc/87/45/30/292874530.db2.gz FIADBOIPXJAQML-UHFFFAOYSA-N 1 0 338.383 2.264 20 5 EEBDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284108126 293033245 /nfs/dbraw/zinc/03/32/45/293033245.db2.gz NECQXVARVLBHMD-CQSZACIVSA-N 1 0 348.447 2.473 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294320539 293423495 /nfs/dbraw/zinc/42/34/95/293423495.db2.gz JXZWAXVWJABAMP-UHFFFAOYSA-N 1 0 327.356 2.204 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000297392439 294231263 /nfs/dbraw/zinc/23/12/63/294231263.db2.gz RBSOFEOOFPCALT-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297800104 294345114 /nfs/dbraw/zinc/34/51/14/294345114.db2.gz XXNCZNQREIZQBV-ZDUSSCGKSA-N 1 0 332.404 2.393 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000299624947 294789912 /nfs/dbraw/zinc/78/99/12/294789912.db2.gz RGOGEGDCMQMGMF-UHFFFAOYSA-N 1 0 334.420 2.338 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000190997637 303498080 /nfs/dbraw/zinc/49/80/80/303498080.db2.gz SAEXARGIYLGYNK-AWEZNQCLSA-N 1 0 332.404 2.268 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000159854831 311347146 /nfs/dbraw/zinc/34/71/46/311347146.db2.gz FFPNNGBDIWTVOK-CQSZACIVSA-N 1 0 345.403 2.001 20 5 EEBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859585 311347603 /nfs/dbraw/zinc/34/76/03/311347603.db2.gz KQOBHLSHKUVHIY-JSGCOSHPSA-N 1 0 325.434 2.363 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332375393 311997606 /nfs/dbraw/zinc/99/76/06/311997606.db2.gz DGOHVTPMTOJSOY-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)o1 ZINC000414564183 313042159 /nfs/dbraw/zinc/04/21/59/313042159.db2.gz XKFTVXXHTARDHT-LRDDRELGSA-N 1 0 332.356 2.030 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417236661 313460057 /nfs/dbraw/zinc/46/00/57/313460057.db2.gz UUPONUXKJUPNQN-INIZCTEOSA-N 1 0 346.431 2.168 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000417719809 313575645 /nfs/dbraw/zinc/57/56/45/313575645.db2.gz QPEXUPVJPVDEJW-UONOGXRCSA-N 1 0 349.435 2.097 20 5 EEBDRO CC1(C)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000417994470 313681257 /nfs/dbraw/zinc/68/12/57/313681257.db2.gz RCQAUWKDWLREIG-UHFFFAOYSA-N 1 0 340.811 2.184 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640508 314298383 /nfs/dbraw/zinc/29/83/83/314298383.db2.gz VQYWARDCKPRTEA-YUTCNCBUSA-N 1 0 334.420 2.147 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431570413 314643087 /nfs/dbraw/zinc/64/30/87/314643087.db2.gz KKPZMYFQUPPMAM-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000439007928 315063226 /nfs/dbraw/zinc/06/32/26/315063226.db2.gz VYBRJHZYDAYMIN-CQSZACIVSA-N 1 0 326.418 2.164 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440087539 315111143 /nfs/dbraw/zinc/11/11/43/315111143.db2.gz CGAXQJNMJWWXSI-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000451850767 315456875 /nfs/dbraw/zinc/45/68/75/315456875.db2.gz XZALPVYOSYHLSG-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000514349910 316395123 /nfs/dbraw/zinc/39/51/23/316395123.db2.gz MXSRMZRVXDVHTH-AWEZNQCLSA-N 1 0 332.360 2.093 20 5 EEBDRO Cc1ccc(NC(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000515286878 316475685 /nfs/dbraw/zinc/47/56/85/316475685.db2.gz QWQUIXGXNFRASL-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@@H]1[NH3+] ZINC000522001524 316945736 /nfs/dbraw/zinc/94/57/36/316945736.db2.gz VACYRSOQDPHLKN-ZFWWWQNUSA-N 1 0 346.431 2.007 20 5 EEBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000531386514 317791626 /nfs/dbraw/zinc/79/16/26/317791626.db2.gz INXHBMARCHSVGS-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EEBDRO CNc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000535073443 317962543 /nfs/dbraw/zinc/96/25/43/317962543.db2.gz VNTOBGRQKINMBZ-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000539043550 318051128 /nfs/dbraw/zinc/05/11/28/318051128.db2.gz VYNFSWWPWMWIQV-GFCCVEGCSA-N 1 0 343.449 2.272 20 5 EEBDRO CNc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000545560385 318223041 /nfs/dbraw/zinc/22/30/41/318223041.db2.gz HQWPLBBGMRHOAN-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000549824749 318442414 /nfs/dbraw/zinc/44/24/14/318442414.db2.gz LQQSJSZTWKLYGX-LBPRGKRZSA-N 1 0 337.767 2.004 20 5 EEBDRO Cc1nc(C)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000562996062 318955154 /nfs/dbraw/zinc/95/51/54/318955154.db2.gz OFQZMWYCQPANLG-LBPRGKRZSA-N 1 0 337.401 2.198 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000564860021 319119481 /nfs/dbraw/zinc/11/94/81/319119481.db2.gz MCJVQCQESFCWOU-WCQYABFASA-N 1 0 330.331 2.360 20 5 EEBDRO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566107556 319245281 /nfs/dbraw/zinc/24/52/81/319245281.db2.gz NBGVDNAOCDTBMV-MRXNPFEDSA-N 1 0 332.404 2.240 20 5 EEBDRO COCCC(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567711600 319409726 /nfs/dbraw/zinc/40/97/26/319409726.db2.gz JAPGKOLUTNNXKV-UHFFFAOYSA-N 1 0 344.433 2.021 20 5 EEBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572112335 319815850 /nfs/dbraw/zinc/81/58/50/319815850.db2.gz DHPFRCHVTLMLGW-CJNGLKHVSA-N 1 0 346.383 2.261 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000575400284 320104448 /nfs/dbraw/zinc/10/44/48/320104448.db2.gz XLPJDDWWXKVIIQ-JOCQHMNTSA-N 1 0 335.404 2.027 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000576574766 320184226 /nfs/dbraw/zinc/18/42/26/320184226.db2.gz DZQCFFARXYAEPW-SJORKVTESA-N 1 0 332.404 2.182 20 5 EEBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000581429692 324252564 /nfs/dbraw/zinc/25/25/64/324252564.db2.gz XLQJWNBOGVCURV-HNNXBMFYSA-N 1 0 330.388 2.487 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209152 465117298 /nfs/dbraw/zinc/11/72/98/465117298.db2.gz FYVLKAQINXTQFV-HOCLYGCPSA-N 1 0 333.432 2.459 20 5 EEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351518731 465198302 /nfs/dbraw/zinc/19/83/02/465198302.db2.gz SUFNBFCVLLKNTC-XJKSGUPXSA-N 1 0 332.360 2.286 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590568351 468274778 /nfs/dbraw/zinc/27/47/78/468274778.db2.gz DJFUMHRCFYDWMM-LLVKDONJSA-N 1 0 334.332 2.084 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000045299508 462575264 /nfs/dbraw/zinc/57/52/64/462575264.db2.gz IUCFTUZJIIJXEI-UHFFFAOYSA-N 1 0 331.376 2.074 20 5 EEBDRO CC[N@H+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000087087285 462588512 /nfs/dbraw/zinc/58/85/12/462588512.db2.gz CDNKQZHEBFQZST-UHFFFAOYSA-N 1 0 332.404 2.147 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927825 462596016 /nfs/dbraw/zinc/59/60/16/462596016.db2.gz SAUJMFOBZSJTGO-KGLIPLIRSA-N 1 0 337.420 2.365 20 5 EEBDRO COC(=O)CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000113507799 462598816 /nfs/dbraw/zinc/59/88/16/462598816.db2.gz YGIVSRMMISAUOH-UHFFFAOYSA-N 1 0 348.359 2.418 20 5 EEBDRO CCN(C)C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130558725 462763748 /nfs/dbraw/zinc/76/37/48/462763748.db2.gz GSDZXERDIXUDSS-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCOC2=O)c1 ZINC000090539845 462796066 /nfs/dbraw/zinc/79/60/66/462796066.db2.gz QIHDWZGQFQEDAU-GFCCVEGCSA-N 1 0 345.359 2.099 20 5 EEBDRO Nc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000076267818 462831767 /nfs/dbraw/zinc/83/17/67/462831767.db2.gz DXQWMPNUYDNZJL-CYBMUJFWSA-N 1 0 328.376 2.216 20 5 EEBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000119006938 462867201 /nfs/dbraw/zinc/86/72/01/462867201.db2.gz TYAHWKRPRLSXPL-UHFFFAOYSA-N 1 0 331.420 2.292 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066536420 462902338 /nfs/dbraw/zinc/90/23/38/462902338.db2.gz JQOZYTWVAUHTHV-HNNXBMFYSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000067331900 462993007 /nfs/dbraw/zinc/99/30/07/462993007.db2.gz HFVCALYHNFSKIJ-CQSZACIVSA-N 1 0 349.435 2.401 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000120462110 463000598 /nfs/dbraw/zinc/00/05/98/463000598.db2.gz XNAYCZPXTDTSPT-UHFFFAOYSA-N 1 0 342.193 2.087 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000067703576 463039888 /nfs/dbraw/zinc/03/98/88/463039888.db2.gz GFVGUSKSYCGWHA-AWEZNQCLSA-N 1 0 344.415 2.162 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078404659 463113314 /nfs/dbraw/zinc/11/33/14/463113314.db2.gz ATPFHTRBVNNEIV-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157504368 463137517 /nfs/dbraw/zinc/13/75/17/463137517.db2.gz OBFDOSTXIOLKCC-AWEZNQCLSA-N 1 0 343.387 2.142 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000026156511 463152509 /nfs/dbraw/zinc/15/25/09/463152509.db2.gz JWOVGSMICPFNPS-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000142258362 463359859 /nfs/dbraw/zinc/35/98/59/463359859.db2.gz RJWTYURAPXJTIE-MRXNPFEDSA-N 1 0 335.404 2.168 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000032727977 463389846 /nfs/dbraw/zinc/38/98/46/463389846.db2.gz FVHKGBAXTHJNOC-SFHVURJKSA-N 1 0 341.411 2.426 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000040513533 463458646 /nfs/dbraw/zinc/45/86/46/463458646.db2.gz YGBZNTOZQOFFJG-INIZCTEOSA-N 1 0 348.403 2.313 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000124799025 463465287 /nfs/dbraw/zinc/46/52/87/463465287.db2.gz WOJVIZTVEDMJPW-ZDUSSCGKSA-N 1 0 337.395 2.371 20 5 EEBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000165107352 463639635 /nfs/dbraw/zinc/63/96/35/463639635.db2.gz WWZRADMEZDVTRM-UKRRQHHQSA-N 1 0 335.404 2.191 20 5 EEBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165760690 463646793 /nfs/dbraw/zinc/64/67/93/463646793.db2.gz VYPRWADKVULCKQ-UHFFFAOYSA-N 1 0 347.213 2.051 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000193524352 463717815 /nfs/dbraw/zinc/71/78/15/463717815.db2.gz SCTIQEGNOGGRQS-GXTWGEPZSA-N 1 0 332.404 2.065 20 5 EEBDRO Cc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000268427518 463739738 /nfs/dbraw/zinc/73/97/38/463739738.db2.gz AJPQETBTJGBTDI-MRXNPFEDSA-N 1 0 342.399 2.129 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286928270 463745637 /nfs/dbraw/zinc/74/56/37/463745637.db2.gz DQNYJATXFTWXMM-CZUORRHYSA-N 1 0 333.388 2.059 20 5 EEBDRO CCOc1cc(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276851597 463780794 /nfs/dbraw/zinc/78/07/94/463780794.db2.gz DSYIZWFOBQBWGE-GOEBONIOSA-N 1 0 339.461 2.471 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000283202467 463801464 /nfs/dbraw/zinc/80/14/64/463801464.db2.gz ZMRDZWUBICTNRQ-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000492311169 468377932 /nfs/dbraw/zinc/37/79/32/468377932.db2.gz HHEUAVJOCOHVOO-PRQMKSPXSA-N 1 0 335.429 2.112 20 5 EEBDRO COCC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]CC1 ZINC000261671818 463821486 /nfs/dbraw/zinc/82/14/86/463821486.db2.gz GLGNWINPIDOEIX-UHFFFAOYSA-N 1 0 347.371 2.087 20 5 EEBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000858 463827126 /nfs/dbraw/zinc/82/71/26/463827126.db2.gz RTRMTGDENLCCED-IUODEOHRSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287205726 463833561 /nfs/dbraw/zinc/83/35/61/463833561.db2.gz POKMXMPPGXMQIZ-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000261719774 463838212 /nfs/dbraw/zinc/83/82/12/463838212.db2.gz GVFIVDZBQGYKES-BETUJISGSA-N 1 0 335.429 2.388 20 5 EEBDRO Cn1c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000568754815 468382665 /nfs/dbraw/zinc/38/26/65/468382665.db2.gz SXBKIUSGZSRFJJ-GOSISDBHSA-N 1 0 342.399 2.328 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000269226106 463916891 /nfs/dbraw/zinc/91/68/91/463916891.db2.gz UGKRRRPOCFOLNY-UFBFGSQYSA-N 1 0 342.193 2.167 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000287534189 463918649 /nfs/dbraw/zinc/91/86/49/463918649.db2.gz VSBYXVBWCSQCIF-UHFFFAOYSA-N 1 0 337.424 2.389 20 5 EEBDRO Cc1c(CC(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178598759 463927320 /nfs/dbraw/zinc/92/73/20/463927320.db2.gz ZOIIIUAASYYBAW-UHFFFAOYSA-N 1 0 331.416 2.436 20 5 EEBDRO C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000186086149 463934755 /nfs/dbraw/zinc/93/47/55/463934755.db2.gz USASTYKDRGKSKZ-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000186735993 464061141 /nfs/dbraw/zinc/06/11/41/464061141.db2.gz AFJALNOEVFZPJC-PBHICJAKSA-N 1 0 349.434 2.269 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263304859 464082144 /nfs/dbraw/zinc/08/21/44/464082144.db2.gz XRKOQZYGMBXPNB-SJLPKXTDSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172468880 464088725 /nfs/dbraw/zinc/08/87/25/464088725.db2.gz CKXGHDXMRAXIBG-CYBMUJFWSA-N 1 0 349.412 2.224 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284245924 464123162 /nfs/dbraw/zinc/12/31/62/464123162.db2.gz CKMATQGDHXOXNE-SNVBAGLBSA-N 1 0 338.383 2.118 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236837298 464229759 /nfs/dbraw/zinc/22/97/59/464229759.db2.gz SLSWFMMGGGHLRY-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236848768 464231069 /nfs/dbraw/zinc/23/10/69/464231069.db2.gz KGVKSQAGEGQZDG-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1SC ZINC000237121586 464268763 /nfs/dbraw/zinc/26/87/63/464268763.db2.gz ZWHIGBOMQGVHQC-JTQLQIEISA-N 1 0 339.417 2.197 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C[C@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)O ZINC000295086632 464699750 /nfs/dbraw/zinc/69/97/50/464699750.db2.gz DVVGAJPSKMIPQL-JTQLQIEISA-N 1 0 327.356 2.154 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000190854213 464733733 /nfs/dbraw/zinc/73/37/33/464733733.db2.gz GFVVEDIKBKXTMT-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295183575 464735746 /nfs/dbraw/zinc/73/57/46/464735746.db2.gz WEPFVWCVSONJIL-CQSZACIVSA-N 1 0 327.812 2.185 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599940631 468417918 /nfs/dbraw/zinc/41/79/18/468417918.db2.gz QBORPEICPDXCOH-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276156971 464828705 /nfs/dbraw/zinc/82/87/05/464828705.db2.gz FLRWVNXHIBPXJN-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO CCOC(CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OCC ZINC000276284136 464876415 /nfs/dbraw/zinc/87/64/15/464876415.db2.gz YCVRPNMOFBRXEN-UHFFFAOYSA-N 1 0 342.392 2.491 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000295657841 464919130 /nfs/dbraw/zinc/91/91/30/464919130.db2.gz ZYPHZUKMFDQUEM-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183854209 464919705 /nfs/dbraw/zinc/91/97/05/464919705.db2.gz NVLIHNIWBKWQSN-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO C[C@@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276427168 464928507 /nfs/dbraw/zinc/92/85/07/464928507.db2.gz JGFRLXORNWRQSO-ZDUSSCGKSA-N 1 0 335.404 2.183 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240474 464988872 /nfs/dbraw/zinc/98/88/72/464988872.db2.gz USSXWZUKSJLVMX-BMIGLBTASA-N 1 0 337.807 2.390 20 5 EEBDRO Cc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000192936250 465018210 /nfs/dbraw/zinc/01/82/10/465018210.db2.gz DYZMVKPDOLSJCG-UHFFFAOYSA-N 1 0 332.448 2.117 20 5 EEBDRO CC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000347971795 465343471 /nfs/dbraw/zinc/34/34/71/465343471.db2.gz TWZBQUSWNDPZRK-LBPRGKRZSA-N 1 0 340.343 2.385 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342933724 465397517 /nfs/dbraw/zinc/39/75/17/465397517.db2.gz IUQFRTWYVRLPBB-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC000593917654 468432783 /nfs/dbraw/zinc/43/27/83/468432783.db2.gz XGZFPOZPJSBNQA-YGRLFVJLSA-N 1 0 331.376 2.061 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356886030 465602237 /nfs/dbraw/zinc/60/22/37/465602237.db2.gz SNCDRQUWJGVNRU-UHFFFAOYSA-N 1 0 334.376 2.120 20 5 EEBDRO CNc1c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000360938050 465646485 /nfs/dbraw/zinc/64/64/85/465646485.db2.gz QECFRFXSSXMVIG-LBPRGKRZSA-N 1 0 334.420 2.439 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353110780 465646876 /nfs/dbraw/zinc/64/68/76/465646876.db2.gz MIKQBDHTADWOMO-BLLLJJGKSA-N 1 0 335.404 2.386 20 5 EEBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303292 465701385 /nfs/dbraw/zinc/70/13/85/465701385.db2.gz NYXIGXYYRKUUAI-MAUKXSAKSA-N 1 0 332.448 2.053 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000338020244 465754414 /nfs/dbraw/zinc/75/44/14/465754414.db2.gz RHDMAOMNFFUNHL-GJZGRUSLSA-N 1 0 332.408 2.460 20 5 EEBDRO COc1ccc(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000330678196 465757586 /nfs/dbraw/zinc/75/75/86/465757586.db2.gz WCZSHQGYWBFTSH-DZGCQCFKSA-N 1 0 325.434 2.081 20 5 EEBDRO C[C@@H]1COCCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361109545 465770069 /nfs/dbraw/zinc/77/00/69/465770069.db2.gz FMLUHHIIEVLVMK-PBHICJAKSA-N 1 0 333.432 2.226 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344735082 465783863 /nfs/dbraw/zinc/78/38/63/465783863.db2.gz 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EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 ZINC000346264292 466039302 /nfs/dbraw/zinc/03/93/02/466039302.db2.gz CQMIZRAEGJASJU-INIZCTEOSA-N 1 0 335.429 2.241 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279198 466054617 /nfs/dbraw/zinc/05/46/17/466054617.db2.gz VENKWGRQLWVALA-OFQRWUPVSA-N 1 0 347.415 2.162 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000580124730 468469047 /nfs/dbraw/zinc/46/90/47/468469047.db2.gz YNDSBGAFFOIIOY-ZDUSSCGKSA-N 1 0 337.420 2.383 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[C@H](CO)O3)cs2)c1 ZINC000353705175 466082663 /nfs/dbraw/zinc/08/26/63/466082663.db2.gz BNCZQCJJJXBANC-HUUCEWRRSA-N 1 0 349.412 2.348 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331719420 466215242 /nfs/dbraw/zinc/21/52/42/466215242.db2.gz IIWIGDLNZQCHJI-AWEZNQCLSA-N 1 0 347.415 2.438 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C 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ZINC000347289341 466539253 /nfs/dbraw/zinc/53/92/53/466539253.db2.gz QXXQUVJVTCYOMC-QZFKAFNDSA-N 1 0 333.432 2.387 20 5 EEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000314588750 466553862 /nfs/dbraw/zinc/55/38/62/466553862.db2.gz OPPSXVUIYIVCRM-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358225329 466554891 /nfs/dbraw/zinc/55/48/91/466554891.db2.gz COMZCRLGKZVSHM-CJNGLKHVSA-N 1 0 339.461 2.122 20 5 EEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000372854049 466616386 /nfs/dbraw/zinc/61/63/86/466616386.db2.gz BLJIXPAFTAXYCM-LSDHHAIUSA-N 1 0 340.383 2.005 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000322579909 466633528 /nfs/dbraw/zinc/63/35/28/466633528.db2.gz RPPBVTNWXBQQRV-RYUDHWBXSA-N 1 0 339.417 2.037 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000423220217 466698643 /nfs/dbraw/zinc/69/86/43/466698643.db2.gz VBOFYUDILSUSSD-XJKSGUPXSA-N 1 0 336.436 2.441 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373148221 466707984 /nfs/dbraw/zinc/70/79/84/466707984.db2.gz UMAKMEHJDZQUOO-UHFFFAOYSA-N 1 0 333.388 2.048 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423271297 466708297 /nfs/dbraw/zinc/70/82/97/466708297.db2.gz IVEXMJUTCRBWBL-WWGRRREGSA-N 1 0 334.420 2.419 20 5 EEBDRO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373283982 466752884 /nfs/dbraw/zinc/75/28/84/466752884.db2.gz JNPOLRLUNLTCME-ZDUSSCGKSA-N 1 0 349.435 2.266 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000423575495 466776649 /nfs/dbraw/zinc/77/66/49/466776649.db2.gz QHNZWNMXBCGVPG-VIFPVBQESA-N 1 0 329.809 2.066 20 5 EEBDRO C[NH+](C)[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406659 466809154 /nfs/dbraw/zinc/80/91/54/466809154.db2.gz XCPSUZLWEHCTFE-YOEHRIQHSA-N 1 0 346.431 2.116 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423991273 466939593 /nfs/dbraw/zinc/93/95/93/466939593.db2.gz DUHHHKKQLMOSIB-QGZVFWFLSA-N 1 0 341.367 2.147 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417846267 466955108 /nfs/dbraw/zinc/95/51/08/466955108.db2.gz JDVKHBBLVYCXAH-FMKPAKJESA-N 1 0 332.404 2.297 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000370658272 466956448 /nfs/dbraw/zinc/95/64/48/466956448.db2.gz UIYFLYCBJNUIIF-QGZVFWFLSA-N 1 0 333.388 2.079 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000424028936 466956460 /nfs/dbraw/zinc/95/64/60/466956460.db2.gz FCMUSRMHJCKCHI-UHFFFAOYSA-N 1 0 349.309 2.217 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000370990749 467065203 /nfs/dbraw/zinc/06/52/03/467065203.db2.gz FXTVKGXMINPZOO-SJORKVTESA-N 1 0 347.415 2.105 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](n4ccnn4)C3)nc2c1 ZINC000425496254 467099393 /nfs/dbraw/zinc/09/93/93/467099393.db2.gz AHHXJUNUFPBEOE-LBPRGKRZSA-N 1 0 328.332 2.165 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000413106827 467170952 /nfs/dbraw/zinc/17/09/52/467170952.db2.gz OZRACSNLQNHCMO-UHFFFAOYSA-N 1 0 338.383 2.068 20 5 EEBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CC[N@@H+]1C[C@@H](C)O ZINC000413129284 467175805 /nfs/dbraw/zinc/17/58/05/467175805.db2.gz LHLQBWRPTDAFPA-KGLIPLIRSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000427877663 467183628 /nfs/dbraw/zinc/18/36/28/467183628.db2.gz TZSQHUCEBPJAGJ-JSGCOSHPSA-N 1 0 343.387 2.113 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)c1 ZINC000413176367 467184695 /nfs/dbraw/zinc/18/46/95/467184695.db2.gz RVKFJMSBSQTREP-SNVBAGLBSA-N 1 0 328.294 2.459 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428718861 467261675 /nfs/dbraw/zinc/26/16/75/467261675.db2.gz NYSWTIROMMZDQL-BBRMVZONSA-N 1 0 335.379 2.219 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452101359 467322243 /nfs/dbraw/zinc/32/22/43/467322243.db2.gz GHVHYBHCVQXLMV-ZDUSSCGKSA-N 1 0 341.433 2.006 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000420279274 467336675 /nfs/dbraw/zinc/33/66/75/467336675.db2.gz PEYFBPSEYRUULW-AWEZNQCLSA-N 1 0 344.371 2.451 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420375186 467384042 /nfs/dbraw/zinc/38/40/42/467384042.db2.gz SUJMVGISHFNRIP-ZDUSSCGKSA-N 1 0 340.811 2.164 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000430549635 467437690 /nfs/dbraw/zinc/43/76/90/467437690.db2.gz FEXLGQIMWKMWHI-LLVKDONJSA-N 1 0 345.346 2.389 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414928337 467451972 /nfs/dbraw/zinc/45/19/72/467451972.db2.gz ARISCAVBWYUEMK-CQSZACIVSA-N 1 0 344.318 2.445 20 5 EEBDRO CN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000415067964 467480884 /nfs/dbraw/zinc/48/08/84/467480884.db2.gz LVKMDKGXUDWMTN-INIZCTEOSA-N 1 0 344.415 2.114 20 5 EEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000408013937 467495808 /nfs/dbraw/zinc/49/58/08/467495808.db2.gz ZFEVPALAKZQBPN-BZPMIXESSA-N 1 0 349.435 2.114 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000449295236 467628672 /nfs/dbraw/zinc/62/86/72/467628672.db2.gz QUQZBGGXTOUXJQ-GFCCVEGCSA-N 1 0 326.418 2.083 20 5 EEBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449538102 467659744 /nfs/dbraw/zinc/65/97/44/467659744.db2.gz GZLDYVGVQYZRBX-MWLCHTKSSA-N 1 0 348.346 2.496 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)CCC[NH3+] ZINC000449568439 467663839 /nfs/dbraw/zinc/66/38/39/467663839.db2.gz ZHJMJNBFUBGDBW-VHSXEESVSA-N 1 0 329.784 2.259 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449640595 467673823 /nfs/dbraw/zinc/67/38/23/467673823.db2.gz BJEPJOLMBWTXGO-MNOVXSKESA-N 1 0 344.371 2.096 20 5 EEBDRO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000458174556 467783293 /nfs/dbraw/zinc/78/32/93/467783293.db2.gz ANCYBIXZDBDWEM-LLVKDONJSA-N 1 0 339.367 2.204 20 5 EEBDRO Cc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] ZINC000450451547 467851846 /nfs/dbraw/zinc/85/18/46/467851846.db2.gz HYBCDGUPBTVDNH-HOCLYGCPSA-N 1 0 342.403 2.217 20 5 EEBDRO C[NH+]1CCN(C[C@H](Nc2ncc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000514650703 467945382 /nfs/dbraw/zinc/94/53/82/467945382.db2.gz CQLAWRNCWRDHAD-AWEZNQCLSA-N 1 0 347.444 2.452 20 5 EEBDRO O=C(CNc1sccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000590062563 468210240 /nfs/dbraw/zinc/21/02/40/468210240.db2.gz GIBXTWUYRNCIIF-UHFFFAOYSA-N 1 0 326.422 2.060 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567908143 468235466 /nfs/dbraw/zinc/23/54/66/468235466.db2.gz YAKOKSKFERLWQC-UKRRQHHQSA-N 1 0 346.431 2.007 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567908142 468235778 /nfs/dbraw/zinc/23/57/78/468235778.db2.gz YAKOKSKFERLWQC-HIFRSBDPSA-N 1 0 346.431 2.007 20 5 EEBDRO COc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197841 468509324 /nfs/dbraw/zinc/50/93/24/468509324.db2.gz QPOIRESVUYXPIR-ZIAGYGMSSA-N 1 0 333.388 2.350 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594420555 468580668 /nfs/dbraw/zinc/58/06/68/468580668.db2.gz WRMWTDJPGJLLRJ-CABCVRRESA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000556819644 468582269 /nfs/dbraw/zinc/58/22/69/468582269.db2.gz NITPGMSVEYTYKZ-UHFFFAOYSA-N 1 0 326.303 2.225 20 5 EEBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594519596 468613333 /nfs/dbraw/zinc/61/33/33/468613333.db2.gz WSXYQWUGMCZMLY-LBPRGKRZSA-N 1 0 329.356 2.482 20 5 EEBDRO Cc1nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000582959792 468622286 /nfs/dbraw/zinc/62/22/86/468622286.db2.gz NMWHKHRDKJVKBH-LBPRGKRZSA-N 1 0 337.401 2.198 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700572 468644039 /nfs/dbraw/zinc/64/40/39/468644039.db2.gz NQJSBYJGLLQKMF-WFASDCNBSA-N 1 0 333.388 2.109 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000557692786 468647984 /nfs/dbraw/zinc/64/79/84/468647984.db2.gz VXJQTKXQSVOEPX-UHFFFAOYSA-N 1 0 349.435 2.038 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000600824157 468666285 /nfs/dbraw/zinc/66/62/85/468666285.db2.gz KVUJKMQREPZRHH-UHFFFAOYSA-N 1 0 331.294 2.486 20 5 EEBDRO CN(CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000597860953 468697016 /nfs/dbraw/zinc/69/70/16/468697016.db2.gz QCRQJBMQGDYIQN-AWEZNQCLSA-N 1 0 348.447 2.268 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592466512 468703621 /nfs/dbraw/zinc/70/36/21/468703621.db2.gz MBEGUMBSHRQGOC-HNNXBMFYSA-N 1 0 346.431 2.070 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+](C)C)cc1SC ZINC000597992456 468733671 /nfs/dbraw/zinc/73/36/71/468733671.db2.gz LPUTZZJMXWNNNP-SNVBAGLBSA-N 1 0 341.433 2.395 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000595032603 468746110 /nfs/dbraw/zinc/74/61/10/468746110.db2.gz NTQWVEHKBLCERD-LRDDRELGSA-N 1 0 338.404 2.432 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097594 468757791 /nfs/dbraw/zinc/75/77/91/468757791.db2.gz YUCIFEOVTWFSHO-WBVHZDCISA-N 1 0 343.431 2.492 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601145161 468760192 /nfs/dbraw/zinc/76/01/92/468760192.db2.gz RAOYNYBVOXDDLJ-GFCCVEGCSA-N 1 0 329.282 2.388 20 5 EEBDRO COc1ccc(CC(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000584147464 468806160 /nfs/dbraw/zinc/80/61/60/468806160.db2.gz NWLBAFNIMXBUPQ-UHFFFAOYSA-N 1 0 347.415 2.137 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)n2)CCCCC1 ZINC000584167261 468811031 /nfs/dbraw/zinc/81/10/31/468811031.db2.gz MQIWFIIKPFWAMX-UHFFFAOYSA-N 1 0 332.316 2.492 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000560506815 468822694 /nfs/dbraw/zinc/82/26/94/468822694.db2.gz INKGVCAVGJOIJS-ZDUSSCGKSA-N 1 0 332.404 2.221 20 5 EEBDRO CN1CC[NH+](CCCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000560814945 468847589 /nfs/dbraw/zinc/84/75/89/468847589.db2.gz WMDMHDOYOZHJLU-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EEBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595496789 468875822 /nfs/dbraw/zinc/87/58/22/468875822.db2.gz IMSFWPOKRYZJDU-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC(F)(F)F)CC2)cn1 ZINC000602640781 468982509 /nfs/dbraw/zinc/98/25/09/468982509.db2.gz CZZQIMLTARAWBU-UHFFFAOYSA-N 1 0 334.298 2.085 20 5 EEBDRO Cc1c(Br)c(=O)n(CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000572758206 468988437 /nfs/dbraw/zinc/98/84/37/468988437.db2.gz BWVUELOZNAWQOE-JTQLQIEISA-N 1 0 344.209 2.217 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000610539203 468996571 /nfs/dbraw/zinc/99/65/71/468996571.db2.gz FCNUFTCMLOOACF-MQIPJXDCSA-N 1 0 343.387 2.173 20 5 EEBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602683089 469009071 /nfs/dbraw/zinc/00/90/71/469009071.db2.gz HPGRIKTVPXLPPQ-YOEHRIQHSA-N 1 0 330.388 2.381 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000585718799 469020602 /nfs/dbraw/zinc/02/06/02/469020602.db2.gz YXGOOIZBVYELEO-KRWDZBQOSA-N 1 0 333.432 2.324 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000595876981 469059085 /nfs/dbraw/zinc/05/90/85/469059085.db2.gz MTOLOQRZZROHPI-UHFFFAOYSA-N 1 0 340.351 2.326 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000602779740 469069552 /nfs/dbraw/zinc/06/95/52/469069552.db2.gz NVYDOESDEYWEKM-KRWDZBQOSA-N 1 0 343.431 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593728938 469111627 /nfs/dbraw/zinc/11/16/27/469111627.db2.gz AZEMOZKQRIZFMN-BBRMVZONSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000602841049 469111636 /nfs/dbraw/zinc/11/16/36/469111636.db2.gz QCORYBAZSKFFFR-UHFFFAOYSA-N 1 0 344.415 2.126 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccco2)cc1 ZINC000596066441 469136665 /nfs/dbraw/zinc/13/66/65/469136665.db2.gz PGBPMYUMIWBYBD-UHFFFAOYSA-N 1 0 338.385 2.184 20 5 EEBDRO CC[C@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000602925450 469167722 /nfs/dbraw/zinc/16/77/22/469167722.db2.gz VWUOHGPCMNMHBU-CVEARBPZSA-N 1 0 336.367 2.206 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596231799 469214780 /nfs/dbraw/zinc/21/47/80/469214780.db2.gz NIYIODWRMHDIQH-LRDDRELGSA-N 1 0 329.404 2.984 20 5 EEBDRO COC(=O)c1cnc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309306 469239507 /nfs/dbraw/zinc/23/95/07/469239507.db2.gz YEUSDSYHVFVTQN-LLVKDONJSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@H](CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000596427198 469262197 /nfs/dbraw/zinc/26/21/97/469262197.db2.gz BDYFZCIWARUADK-CQSZACIVSA-N 1 0 336.436 2.179 20 5 EEBDRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596626205 469315466 /nfs/dbraw/zinc/31/54/66/469315466.db2.gz HWNCLOINLJHCAV-HNNXBMFYSA-N 1 0 348.403 2.278 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602493297 469338815 /nfs/dbraw/zinc/33/88/15/469338815.db2.gz SIUDMVQYPLPRGO-BDAKNGLRSA-N 1 0 342.193 2.228 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000615917591 469338870 /nfs/dbraw/zinc/33/88/70/469338870.db2.gz BPKOUKRUBQTHHZ-HZPDHXFCSA-N 1 0 330.388 2.218 20 5 EEBDRO CCN(CC)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602548251 469356468 /nfs/dbraw/zinc/35/64/68/469356468.db2.gz CWTKWJCXOQXSHG-AWEZNQCLSA-N 1 0 335.452 2.279 20 5 EEBDRO CCC(CC)(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602578126 469368420 /nfs/dbraw/zinc/36/84/20/469368420.db2.gz ZYBDCTXARXATHG-UHFFFAOYSA-N 1 0 336.436 2.347 20 5 EEBDRO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617754740 469792970 /nfs/dbraw/zinc/79/29/70/469792970.db2.gz VLSOBCAAQYXYFC-CQSZACIVSA-N 1 0 349.431 2.004 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000609595649 469945560 /nfs/dbraw/zinc/94/55/60/469945560.db2.gz WZSNCXBGUWHWRZ-UHFFFAOYSA-N 1 0 331.376 2.210 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000644074110 470851881 /nfs/dbraw/zinc/85/18/81/470851881.db2.gz AVMUHEMEUZPQCO-UHFFFAOYSA-N 1 0 349.434 2.365 20 5 EEBDRO CC(=O)NC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446833703 534842048 /nfs/dbraw/zinc/84/20/48/534842048.db2.gz DNVDECKLWJJBAS-UHFFFAOYSA-N 1 0 331.376 2.008 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000237256067 536454178 /nfs/dbraw/zinc/45/41/78/536454178.db2.gz NCBJMNYGCUPYJE-LBPRGKRZSA-N 1 0 332.404 2.241 20 5 EEBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189561958 528114613 /nfs/dbraw/zinc/11/46/13/528114613.db2.gz PXEKRYDVGQWRDF-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266648254 535097558 /nfs/dbraw/zinc/09/75/58/535097558.db2.gz XYGUCOYVJVQJPK-MRXNPFEDSA-N 1 0 336.367 2.202 20 5 EEBDRO C[NH+](C)CC1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000280992362 537698476 /nfs/dbraw/zinc/69/84/76/537698476.db2.gz CMUAYZKOUXHTLG-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000727065734 576394726 /nfs/dbraw/zinc/39/47/26/576394726.db2.gz WHVXWURTLQNFIW-UHFFFAOYSA-N 1 0 340.449 2.478 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731677892 577115972 /nfs/dbraw/zinc/11/59/72/577115972.db2.gz BJWZBHIMQJCXOR-OAHLLOKOSA-N 1 0 347.327 2.335 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771460560 577213682 /nfs/dbraw/zinc/21/36/82/577213682.db2.gz QEMXHCCJPCSLDR-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO Nc1nc(-n2cccn2)cc(NCc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000771668560 577225181 /nfs/dbraw/zinc/22/51/81/577225181.db2.gz AZEVSTYGCPDEML-UHFFFAOYSA-N 1 0 345.750 2.418 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000776579943 577463050 /nfs/dbraw/zinc/46/30/50/577463050.db2.gz PVAKICYVZGIZIO-HNNXBMFYSA-N 1 0 348.428 2.297 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000776582532 577463235 /nfs/dbraw/zinc/46/32/35/577463235.db2.gz RPVGHJDJWZEKHZ-YNEHKIRRSA-N 1 0 334.294 2.016 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000776590532 577463570 /nfs/dbraw/zinc/46/35/70/577463570.db2.gz HEFKPHSKALLHOK-XOKHGSTOSA-N 1 0 330.388 2.408 20 5 EEBDRO O=C1NCCN1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507891 577685117 /nfs/dbraw/zinc/68/51/17/577685117.db2.gz ZQILICZPAARBER-GFCCVEGCSA-N 1 0 338.795 2.238 20 5 EEBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539712 577808339 /nfs/dbraw/zinc/80/83/39/577808339.db2.gz LQHVKQCWTRCQTG-SMDDNHRTSA-N 1 0 349.387 2.162 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756279395 577841370 /nfs/dbraw/zinc/84/13/70/577841370.db2.gz BPCXKCUGPFRKQY-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO CCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001020945678 675598331 /nfs/dbraw/zinc/59/83/31/675598331.db2.gz QIWXZQTVFOJBGB-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000804776860 675629566 /nfs/dbraw/zinc/62/95/66/675629566.db2.gz IODDROCIYVFKQB-AWEZNQCLSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022013348 676583689 /nfs/dbraw/zinc/58/36/89/676583689.db2.gz IYNBJQLECARYQZ-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO COc1c(O)ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891723002 676802612 /nfs/dbraw/zinc/80/26/12/676802612.db2.gz GPNNPEYFTFBJQF-CQSZACIVSA-N 1 0 335.404 2.369 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934237097 676912632 /nfs/dbraw/zinc/91/26/32/676912632.db2.gz VRPXSPLKEZPKSE-ZDUSSCGKSA-N 1 0 328.372 2.458 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000892098547 677998051 /nfs/dbraw/zinc/99/80/51/677998051.db2.gz GVUVKDGQRQFQFB-ZDUSSCGKSA-N 1 0 335.404 2.227 20 5 EEBDRO Cn1c2ccccc2c(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000892344842 679170343 /nfs/dbraw/zinc/17/03/43/679170343.db2.gz HCASDFCMCBNBAG-CQSZACIVSA-N 1 0 330.388 2.199 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC000983015415 681659688 /nfs/dbraw/zinc/65/96/88/681659688.db2.gz JKDBGEXEQZFVSO-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1C ZINC000261848304 681725761 /nfs/dbraw/zinc/72/57/61/681725761.db2.gz ZRLGZNXJCBPSQJ-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO Cc1ocnc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983280507 682176488 /nfs/dbraw/zinc/17/64/88/682176488.db2.gz WXSZEGFCFQMMSY-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO C[C@@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000892875648 683159197 /nfs/dbraw/zinc/15/91/97/683159197.db2.gz HPPZRFNXINAJIO-NEPJUHHUSA-N 1 0 342.399 2.484 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892899032 683177078 /nfs/dbraw/zinc/17/70/78/683177078.db2.gz IJVCLTFXNJTLBW-FZMZJTMJSA-N 1 0 342.399 2.341 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1(C2CC2)CC1 ZINC001025815855 683304281 /nfs/dbraw/zinc/30/42/81/683304281.db2.gz OMOLDNQENIDAPS-FVQHAEBGSA-N 1 0 341.411 2.331 20 5 EEBDRO C[NH2+][C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000262097055 683608909 /nfs/dbraw/zinc/60/89/09/683608909.db2.gz VFZAKOCPUFXMCV-OAHLLOKOSA-N 1 0 329.404 2.179 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000895472221 684617124 /nfs/dbraw/zinc/61/71/24/684617124.db2.gz BODMIPFVKPKJDG-MRXNPFEDSA-N 1 0 346.431 2.116 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599293 691638281 /nfs/dbraw/zinc/63/82/81/691638281.db2.gz ARWCVQKHPACQAX-MRXNPFEDSA-N 1 0 328.372 2.210 20 5 EEBDRO Cc1conc1C(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989427955 691716363 /nfs/dbraw/zinc/71/63/63/691716363.db2.gz VPUVBCSGGPREQF-UHFFFAOYSA-N 1 0 344.371 2.239 20 5 EEBDRO O=C(c1ccc[nH]1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989931264 692481563 /nfs/dbraw/zinc/48/15/63/692481563.db2.gz QWWMNMPLKFAHCZ-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO O=C(c1cscn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990214570 692746736 /nfs/dbraw/zinc/74/67/36/692746736.db2.gz UXBVWUROHIBQBC-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000898627332 693401499 /nfs/dbraw/zinc/40/14/99/693401499.db2.gz SCURBCKWVXJGAT-UHFFFAOYSA-N 1 0 339.417 2.030 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105441775 1187158424 /nfs/dbraw/zinc/15/84/24/1187158424.db2.gz JVSYMCNVXATAGS-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842348863 1188647984 /nfs/dbraw/zinc/64/79/84/1188647984.db2.gz MMIAXCPAWWGMMQ-BZUAXINKSA-N 1 0 332.400 2.496 20 5 EEBDRO CCc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643672 1196464829 /nfs/dbraw/zinc/46/48/29/1196464829.db2.gz QUSPGQITMXOXOR-BRSBDYLESA-N 1 0 345.443 2.431 20 5 EEBDRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000872291109 1198131944 /nfs/dbraw/zinc/13/19/44/1198131944.db2.gz FBZZXBMMXYWOJE-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000865556388 1198274321 /nfs/dbraw/zinc/27/43/21/1198274321.db2.gz SFXPYKPEUCAPLB-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO O=C(CC(F)(F)C(F)F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133883106 1199134947 /nfs/dbraw/zinc/13/49/47/1199134947.db2.gz IVOVMMQDXFJBAS-UHFFFAOYSA-N 1 0 337.273 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131600 1199286648 /nfs/dbraw/zinc/28/66/48/1199286648.db2.gz MESNSHYDMSVZOQ-HUUCEWRRSA-N 1 0 336.779 2.425 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000814485165 1199535017 /nfs/dbraw/zinc/53/50/17/1199535017.db2.gz YMBWAMGTXUROPL-UHFFFAOYSA-N 1 0 339.367 2.443 20 5 EEBDRO Cc1c(CC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000877340254 1199907090 /nfs/dbraw/zinc/90/70/90/1199907090.db2.gz HZASZKCQXXHFQS-QGZVFWFLSA-N 1 0 339.395 2.276 20 5 EEBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000877398933 1199922942 /nfs/dbraw/zinc/92/29/42/1199922942.db2.gz PETBYJUWLXXAHN-WBVHZDCISA-N 1 0 330.388 2.184 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000826077310 1200714615 /nfs/dbraw/zinc/71/46/15/1200714615.db2.gz ZAYUUTVGZQQSTR-WDEREUQCSA-N 1 0 338.383 2.012 20 5 EEBDRO O=C(CC[NH2+]CC1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000870895236 1200937683 /nfs/dbraw/zinc/93/76/83/1200937683.db2.gz ZQWWAQKJYUEJDK-UHFFFAOYSA-N 1 0 347.415 2.354 20 5 EEBDRO [NH3+][C@H]1C[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000870969953 1200982910 /nfs/dbraw/zinc/98/29/10/1200982910.db2.gz XOGBSQTYDJHLAD-HDJSIYSDSA-N 1 0 335.407 2.008 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000800136320 1202211722 /nfs/dbraw/zinc/21/17/22/1202211722.db2.gz NDBYMNJUCSRXFS-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000800181431 1202217672 /nfs/dbraw/zinc/21/76/72/1202217672.db2.gz KQOOFSOECRWFEP-UHFFFAOYSA-N 1 0 325.340 2.349 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000884855947 1202366669 /nfs/dbraw/zinc/36/66/69/1202366669.db2.gz VIDHYJMJWBWZDU-NSHDSACASA-N 1 0 331.351 2.426 20 5 EEBDRO CN(CCCNC(=O)CC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001095637577 1205899292 /nfs/dbraw/zinc/89/92/92/1205899292.db2.gz ACKUPIVIERDEQT-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CN(CCCNC(=O)C1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095657636 1205904985 /nfs/dbraw/zinc/90/49/85/1205904985.db2.gz CMGJTYATCXTLQV-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934233343 1207927854 /nfs/dbraw/zinc/92/78/54/1207927854.db2.gz JUGVYBJZRGWSQQ-SUMWQHHRSA-N 1 0 340.383 2.316 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000195625030 1211444852 /nfs/dbraw/zinc/44/48/52/1211444852.db2.gz GIWMTPZLUSLSOC-XQQFMLRXSA-N 1 0 334.420 2.273 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC000902488920 1237702230 /nfs/dbraw/zinc/70/22/30/1237702230.db2.gz OKSROQCWILGMCP-HIFRSBDPSA-N 1 0 334.420 2.434 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001097260670 1243886673 /nfs/dbraw/zinc/88/66/73/1243886673.db2.gz JARPHIKRJFGLFK-OKILXGFUSA-N 1 0 332.404 2.138 20 5 EEBDRO C[N@H+](CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC001101462377 1245862353 /nfs/dbraw/zinc/86/23/53/1245862353.db2.gz UFYZGFZCCVOPSH-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265741 1247936656 /nfs/dbraw/zinc/93/66/56/1247936656.db2.gz WCCNVFACSCPVFU-IAGOWNOFSA-N 1 0 331.416 2.330 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(N(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001115144665 1284580992 /nfs/dbraw/zinc/58/09/92/1284580992.db2.gz DTGWDXYWYLWYDX-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000110998316 1292246167 /nfs/dbraw/zinc/24/61/67/1292246167.db2.gz DIGQNJIEAZQOAR-AWEZNQCLSA-N 1 0 334.420 2.265 20 5 EEBDRO CC[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000857764916 1293910734 /nfs/dbraw/zinc/91/07/34/1293910734.db2.gz DRJOBODYIYWXNA-GXFFZTMASA-N 1 0 343.330 2.152 20 5 EEBDRO C[N@@H+]1CCN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211457290 1295907672 /nfs/dbraw/zinc/90/76/72/1295907672.db2.gz KJZAKCDDBRWUQH-HNNXBMFYSA-N 1 0 346.394 2.409 20 5 EEBDRO Cc1nccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1[N+](=O)[O-] ZINC001214102089 1296299514 /nfs/dbraw/zinc/29/95/14/1296299514.db2.gz VMRGLGQHPRNNCU-UHFFFAOYSA-N 1 0 338.327 2.056 20 5 EEBDRO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2C[NH2+]Cc3ccccc32)[nH]1 ZINC001218485324 1297677736 /nfs/dbraw/zinc/67/77/36/1297677736.db2.gz HQOHBPPPRDXPIH-OAHLLOKOSA-N 1 0 338.323 2.467 20 5 EEBDRO CC(=O)c1ccc2ccccc2c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226032053 1301238947 /nfs/dbraw/zinc/23/89/47/1301238947.db2.gz BZVKTMHANQTYME-OAHLLOKOSA-N 1 0 330.404 2.405 20 5 EEBDRO Cc1cc(I)cnc1O[C@H](C)C[N+](C)(C)C ZINC001226411317 1301398613 /nfs/dbraw/zinc/39/86/13/1301398613.db2.gz VVTGQAQDVAKHCF-SNVBAGLBSA-N 1 0 335.209 2.468 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC001227743487 1301949992 /nfs/dbraw/zinc/94/99/92/1301949992.db2.gz QTMAMOTZDKRHDL-XBXGTLAGSA-N 1 0 346.387 2.493 20 5 EEBDRO COCC(C)(C)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001228294283 1302192863 /nfs/dbraw/zinc/19/28/63/1302192863.db2.gz SRNHERSNHTYQEK-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103432018 1302952447 /nfs/dbraw/zinc/95/24/47/1302952447.db2.gz LFZDRYZYTGOOEX-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO CC(C)CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230762513 1303437056 /nfs/dbraw/zinc/43/70/56/1303437056.db2.gz CHHOZPBFTMGYGD-IAGOWNOFSA-N 1 0 348.447 2.101 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000782208687 1303990646 /nfs/dbraw/zinc/99/06/46/1303990646.db2.gz WOSNIQNEQPIICZ-LBPRGKRZSA-N 1 0 338.433 2.374 20 5 EEBDRO C[C@]1(CO)C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232219494 1304041828 /nfs/dbraw/zinc/04/18/28/1304041828.db2.gz UTWUFQOKLKXBGE-FXAWDEMLSA-N 1 0 337.423 2.348 20 5 EEBDRO CN1CCO[C@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232220103 1304043254 /nfs/dbraw/zinc/04/32/54/1304043254.db2.gz JRFYKSXZDUPOGI-MSOLQXFVSA-N 1 0 334.423 2.298 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112092282 1304226828 /nfs/dbraw/zinc/22/68/28/1304226828.db2.gz RYLLVWMXMMGSEY-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)nc(C(F)(F)F)c1 ZINC001233807972 1304600539 /nfs/dbraw/zinc/60/05/39/1304600539.db2.gz MFOJZTDSKPBLIH-MRVPVSSYSA-N 1 0 341.737 2.116 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000797613216 1304789624 /nfs/dbraw/zinc/78/96/24/1304789624.db2.gz IFZHZTXKVWKKKV-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO COc1c(Cl)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001234228187 1304811619 /nfs/dbraw/zinc/81/16/19/1304811619.db2.gz ZTGOJHDJHDYDMP-SECBINFHSA-N 1 0 337.223 2.365 20 5 EEBDRO O[C@@H]1C[NH2+]CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247753570 1310712523 /nfs/dbraw/zinc/71/25/23/1310712523.db2.gz KMOVEDSFGZATDI-DZGCQCFKSA-N 1 0 347.378 2.271 20 5 EEBDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841763626 1315609641 /nfs/dbraw/zinc/60/96/41/1315609641.db2.gz OHILQMPVCGYFTJ-GFCCVEGCSA-N 1 0 337.420 2.395 20 5 EEBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000842583613 1315726727 /nfs/dbraw/zinc/72/67/27/1315726727.db2.gz OXRKFKJAPFTJKH-MRVPVSSYSA-N 1 0 329.316 2.222 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000843455541 1315918550 /nfs/dbraw/zinc/91/85/50/1315918550.db2.gz QQAUZRWNPFTQKM-RKDXNWHRSA-N 1 0 329.759 2.139 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cn1 ZINC001149512701 1315980381 /nfs/dbraw/zinc/98/03/81/1315980381.db2.gz FOMLVOOPJJHBIN-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2n(c1)CCCC2 ZINC001153926538 1316917451 /nfs/dbraw/zinc/91/74/51/1316917451.db2.gz BIBPPJILLNEIOS-UHFFFAOYSA-N 1 0 342.399 2.252 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154524676 1317181900 /nfs/dbraw/zinc/18/19/00/1317181900.db2.gz FXCCUVMMVCUZGD-UHFFFAOYSA-N 1 0 338.389 2.171 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001156097030 1317874680 /nfs/dbraw/zinc/87/46/80/1317874680.db2.gz FMSAKHLOYQWBQY-SNVBAGLBSA-N 1 0 340.792 2.094 20 5 EEBDRO CN1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)([NH+](C)C)CC1 ZINC001156176690 1317907675 /nfs/dbraw/zinc/90/76/75/1317907675.db2.gz QBZUEXGNELXRBH-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCC(F)(F)CC1)C2 ZINC001254583108 1318130876 /nfs/dbraw/zinc/13/08/76/1318130876.db2.gz XMOKQROTSCJAQZ-AWEZNQCLSA-N 1 0 325.359 2.383 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001254595282 1318138729 /nfs/dbraw/zinc/13/87/29/1318138729.db2.gz ICLPACAZVKAWKX-GOSISDBHSA-N 1 0 327.428 2.480 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256083433 1318642731 /nfs/dbraw/zinc/64/27/31/1318642731.db2.gz UYTBBLIDQVQULS-UHFFFAOYSA-N 1 0 337.420 2.180 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084407 1318643099 /nfs/dbraw/zinc/64/30/99/1318643099.db2.gz CLMKDBAIAHVOAK-HNNXBMFYSA-N 1 0 348.447 2.256 20 5 EEBDRO COc1cc(N2CCC([N@H+]3C=C(N)C=CC3)CC2)ccc1[N+](=O)[O-] ZINC001256102784 1318649223 /nfs/dbraw/zinc/64/92/23/1318649223.db2.gz RKIJVGQEAFJTEQ-UHFFFAOYSA-N 1 0 330.388 2.244 20 5 EEBDRO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157774884 1318852182 /nfs/dbraw/zinc/85/21/82/1318852182.db2.gz FRSRCQLBNUVAJP-IAGOWNOFSA-N 1 0 333.432 2.146 20 5 EEBDRO O=C(CCOCC1CC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157894113 1318920347 /nfs/dbraw/zinc/92/03/47/1318920347.db2.gz RNAMUYOKENLMGC-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001161120063 1320392575 /nfs/dbraw/zinc/39/25/75/1320392575.db2.gz NNFKCKDYRYOXAE-UHFFFAOYSA-N 1 0 335.408 2.064 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H](c2ccnc(F)c2)C2CC2)nc1C1C[NH2+]C1 ZINC001161846596 1320645411 /nfs/dbraw/zinc/64/54/11/1320645411.db2.gz AWYZWNROZDIOCY-AWEZNQCLSA-N 1 0 344.350 2.169 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162350079 1320834058 /nfs/dbraw/zinc/83/40/58/1320834058.db2.gz SGMLSEGBDDYLTG-MRXNPFEDSA-N 1 0 334.376 2.111 20 5 EEBDRO [NH3+]Cc1ccnn1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001162593127 1320907328 /nfs/dbraw/zinc/90/73/28/1320907328.db2.gz YEULRUHBIXXTDG-UHFFFAOYSA-N 1 0 325.328 2.213 20 5 EEBDRO COC(=O)Cc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001162855162 1320975534 /nfs/dbraw/zinc/97/55/34/1320975534.db2.gz ZFWKKZCCTBPYBL-CQSZACIVSA-N 1 0 341.367 2.332 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001165090001 1321452583 /nfs/dbraw/zinc/45/25/83/1321452583.db2.gz WXRXRSULMGBFHT-NVXWUHKLSA-N 1 0 339.399 2.404 20 5 EEBDRO Cc1ccc(-c2ccc(N3C[C@@H]4C[NH+](C)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001165153022 1321466687 /nfs/dbraw/zinc/46/66/87/1321466687.db2.gz VGIIFQVZQMHMFW-GJZGRUSLSA-N 1 0 339.399 2.358 20 5 EEBDRO CSc1nc(Cl)nc(N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165238488 1321481482 /nfs/dbraw/zinc/48/14/82/1321481482.db2.gz CBOBBXBBMKUHCU-CYBMUJFWSA-N 1 0 343.840 2.340 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)nc1Cl ZINC001166700235 1321769372 /nfs/dbraw/zinc/76/93/72/1321769372.db2.gz CWUMDJYGHVYSKJ-SECBINFHSA-N 1 0 334.767 2.041 20 5 EEBDRO CCc1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166929672 1321819404 /nfs/dbraw/zinc/81/94/04/1321819404.db2.gz KFOHMSCJZTUEPL-UONOGXRCSA-N 1 0 331.351 2.100 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC001205229594 1322322167 /nfs/dbraw/zinc/32/21/67/1322322167.db2.gz FPKMWQGUYOWSPZ-QZTJIDSGSA-N 1 0 345.443 2.113 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001263108271 1322434622 /nfs/dbraw/zinc/43/46/22/1322434622.db2.gz SNRUDQQKCYFBOC-NUJGCVRESA-N 1 0 329.400 2.300 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001263981967 1322576632 /nfs/dbraw/zinc/57/66/32/1322576632.db2.gz QDBJUYVQWNUEBJ-UHFFFAOYSA-N 1 0 340.383 2.318 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH2+][C@H](Cc4ccccc4)C3)nc2c1 ZINC001307196572 1329820526 /nfs/dbraw/zinc/82/05/26/1329820526.db2.gz WNOQPFCDOZTEFI-CQSZACIVSA-N 1 0 337.383 2.492 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001308072168 1331561810 /nfs/dbraw/zinc/56/18/10/1331561810.db2.gz OUVYEWFKWYSWNJ-WAZAZEMKSA-N 1 0 344.371 2.409 20 5 EEBDRO COC(=O)[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC001308096556 1331563405 /nfs/dbraw/zinc/56/34/05/1331563405.db2.gz PRYIPYOOUPNWPB-CHWSQXEVSA-N 1 0 349.387 2.115 20 5 EEBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC001309965006 1331649883 /nfs/dbraw/zinc/64/98/83/1331649883.db2.gz HJNGXVCJDOOMAX-CYBMUJFWSA-N 1 0 343.449 2.135 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C(C)(C)C)CC1 ZINC001319908803 1332795987 /nfs/dbraw/zinc/79/59/87/1332795987.db2.gz XHXQCZKYBMQMNP-ZDUSSCGKSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001609076279 1351831670 /nfs/dbraw/zinc/83/16/70/1351831670.db2.gz ZVTALSFKXAXBOA-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CC(C)[NH+](CCCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)C ZINC001609098404 1351843066 /nfs/dbraw/zinc/84/30/66/1351843066.db2.gz LCUKSFVUQZDFPS-UHFFFAOYSA-N 1 0 348.411 2.091 20 5 EEBDRO CC1CC[NH+](CCc2nnc(C(C)(C)n3cc([N+](=O)[O-])cn3)o2)CC1 ZINC001326267220 1334056478 /nfs/dbraw/zinc/05/64/78/1334056478.db2.gz RTHPLJXZJKZHIT-UHFFFAOYSA-N 1 0 348.407 2.232 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC001331680143 1335057580 /nfs/dbraw/zinc/05/75/80/1335057580.db2.gz MQRKZLBKRGPFJY-BXUZGUMPSA-N 1 0 330.388 2.245 20 5 EEBDRO CC[NH+]1CCC(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC001334888888 1336308622 /nfs/dbraw/zinc/30/86/22/1336308622.db2.gz YMWMUOSPIZVPDR-UHFFFAOYSA-N 1 0 330.388 2.343 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](C2CCC2)C2CCCCC2)c1 ZINC001336001755 1336463443 /nfs/dbraw/zinc/46/34/43/1336463443.db2.gz IUGSXPYEMMCCTF-IRXDYDNUSA-N 1 0 336.436 2.491 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001336199050 1336498826 /nfs/dbraw/zinc/49/88/26/1336498826.db2.gz GMTXGXBPQKTVQV-MRXNPFEDSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1=CC[N@H+](C)CC1 ZINC001337505127 1336709417 /nfs/dbraw/zinc/70/94/17/1336709417.db2.gz ZWKLNJBKDSSXSW-LBPRGKRZSA-N 1 0 330.388 2.270 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001338535907 1336873632 /nfs/dbraw/zinc/87/36/32/1336873632.db2.gz WLYPIFUEJIHTOS-GXTWGEPZSA-N 1 0 347.337 2.245 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3C[C@@H]3C3CC3)c2)CC1 ZINC001339183338 1336971807 /nfs/dbraw/zinc/97/18/07/1336971807.db2.gz AXYVFFCIXVDABH-CABCVRRESA-N 1 0 344.415 2.331 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC001345064213 1337423381 /nfs/dbraw/zinc/42/33/81/1337423381.db2.gz ZDFMZXFZHXVZNR-LBPRGKRZSA-N 1 0 332.360 2.081 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC001345064210 1337423471 /nfs/dbraw/zinc/42/34/71/1337423471.db2.gz ZDFMZXFZHXVZNR-GFCCVEGCSA-N 1 0 332.360 2.081 20 5 EEBDRO COC(=O)[C@]12C[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C[C@H]1CCCC2 ZINC000848491868 1338708931 /nfs/dbraw/zinc/70/89/31/1338708931.db2.gz ZRKOKNZBNKMPFM-CZUORRHYSA-N 1 0 336.392 2.031 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC001575976238 1343933805 /nfs/dbraw/zinc/93/38/05/1343933805.db2.gz UYPBIUMTKYWFNW-ZDUSSCGKSA-N 1 0 331.294 2.471 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001576489096 1344022360 /nfs/dbraw/zinc/02/23/60/1344022360.db2.gz KQFYXFMZNMCIAH-NSHDSACASA-N 1 0 349.359 2.144 20 5 EEBDRO CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001577631922 1344172579 /nfs/dbraw/zinc/17/25/79/1344172579.db2.gz YOQABWTZKSDKCW-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO COc1cc(N2CCC3(CC2)C[NH2+]CCO3)c(Cl)cc1[N+](=O)[O-] ZINC001579160435 1344346302 /nfs/dbraw/zinc/34/63/02/1344346302.db2.gz QQUIIZKXRSXGMP-UHFFFAOYSA-N 1 0 341.795 2.216 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC001590258859 1349232451 /nfs/dbraw/zinc/23/24/51/1349232451.db2.gz CXBJASLWGPTXKM-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO CCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001604218998 1350896455 /nfs/dbraw/zinc/89/64/55/1350896455.db2.gz BJMCFEBONDWNCW-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000040713361 1352434419 /nfs/dbraw/zinc/43/44/19/1352434419.db2.gz CYJZCDDWMOFLTM-JTQLQIEISA-N 1 0 327.182 2.258 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000097351117 1358121620 /nfs/dbraw/zinc/12/16/20/1358121620.db2.gz XIRVBWFRCMRBMN-SECBINFHSA-N 1 0 348.140 2.330 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589104 1368042436 /nfs/dbraw/zinc/04/24/36/1368042436.db2.gz IRNUNOMTRGJLBS-RRQGHBQHSA-N 1 0 348.447 2.471 20 5 EEBDRO CC[NH+]1CCN(CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000853150027 1369321874 /nfs/dbraw/zinc/32/18/74/1369321874.db2.gz AJPXEHMROWOPLP-UHFFFAOYSA-N 1 0 330.791 2.437 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001122260388 1371955964 /nfs/dbraw/zinc/95/59/64/1371955964.db2.gz OMTFKRHNTMMVTK-CQSZACIVSA-N 1 0 343.383 2.164 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000834755664 1372564481 /nfs/dbraw/zinc/56/44/81/1372564481.db2.gz VCSQZVLNKMCMEW-UHFFFAOYSA-N 1 0 348.359 2.170 20 5 EEBDRO C[N@H+](CCC1CC1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754946094 1407006466 /nfs/dbraw/zinc/00/64/66/1407006466.db2.gz VKXHBZYFGRNLLM-IAGOWNOFSA-N 1 0 331.416 2.200 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001578422862 1403752584 /nfs/dbraw/zinc/75/25/84/1403752584.db2.gz JJIVCVYEOKXZSL-GWCFXTLKSA-N 1 0 338.383 2.047 20 5 EEBDRO COC(=O)/C=C\c1ccc(N[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000864565152 1410470640 /nfs/dbraw/zinc/47/06/40/1410470640.db2.gz FISLNKGDNFCBSV-VOKGJARPSA-N 1 0 331.372 2.478 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104424293 760679275 /nfs/dbraw/zinc/67/92/75/760679275.db2.gz XFTPFOPOUOZROS-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO O=C(C(F)F)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981570893 777688664 /nfs/dbraw/zinc/68/86/64/777688664.db2.gz LVTOCTKYHYZPTG-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO Cc1nn(C)c2ncc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc12 ZINC000809734420 783318055 /nfs/dbraw/zinc/31/80/55/783318055.db2.gz DGWPRRJBAQHSEM-UHFFFAOYSA-N 1 0 340.387 2.150 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000907803149 784857547 /nfs/dbraw/zinc/85/75/47/784857547.db2.gz WYRKQQMALIWRNS-CQSZACIVSA-N 1 0 349.435 2.077 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001035704426 784984600 /nfs/dbraw/zinc/98/46/00/784984600.db2.gz OMXRRADYHNAOAT-IAGOWNOFSA-N 1 0 347.459 2.467 20 5 EEBDRO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000818532969 785274748 /nfs/dbraw/zinc/27/47/48/785274748.db2.gz XWHJLIUIITWIPH-VHSXEESVSA-N 1 0 343.786 2.434 20 5 EEBDRO C[C@@H](COc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818970561 785365435 /nfs/dbraw/zinc/36/54/35/785365435.db2.gz WJVGLHPJURHMQZ-LSDHHAIUSA-N 1 0 346.383 2.392 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083311 785394621 /nfs/dbraw/zinc/39/46/21/785394621.db2.gz ZFRIRDLUGQBBKS-DOTOQJQBSA-N 1 0 328.372 2.394 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000819134771 785417705 /nfs/dbraw/zinc/41/77/05/785417705.db2.gz MXSDISLUTYGAKY-SFHVURJKSA-N 1 0 347.390 2.489 20 5 EEBDRO CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1CC ZINC000819164295 785440923 /nfs/dbraw/zinc/44/09/23/785440923.db2.gz WCBBIPJJWPRIPR-MRXNPFEDSA-N 1 0 346.387 2.038 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819165048 785441126 /nfs/dbraw/zinc/44/11/26/785441126.db2.gz ZIAMFDRVJPEGJT-DOTOQJQBSA-N 1 0 347.415 2.009 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000819255884 785469927 /nfs/dbraw/zinc/46/99/27/785469927.db2.gz GHDMSDMSIBCRHO-DOTOQJQBSA-N 1 0 332.404 2.391 20 5 EEBDRO C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908572473 785538116 /nfs/dbraw/zinc/53/81/16/785538116.db2.gz XNJAGCQDWLSIRC-MRXNPFEDSA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1ccnc(NC/C=C/CNC(=O)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001107269573 786669532 /nfs/dbraw/zinc/66/95/32/786669532.db2.gz SQNQRGDOUZRSLW-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO Cc1cc(N2CC=C(CNC(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001127749762 786750956 /nfs/dbraw/zinc/75/09/56/786750956.db2.gz VNTYTTTVILDKLJ-UHFFFAOYSA-N 1 0 346.431 2.108 20 5 EEBDRO CC1CC[NH+](CC(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107300846 786765538 /nfs/dbraw/zinc/76/55/38/786765538.db2.gz YPDXNQJRUXSFEJ-NSCUHMNNSA-N 1 0 346.431 2.411 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823194971 787614500 /nfs/dbraw/zinc/61/45/00/787614500.db2.gz LBUCIYVGFJTDQS-GFCCVEGCSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000911906728 787818531 /nfs/dbraw/zinc/81/85/31/787818531.db2.gz LIEJNJNJKVPNEL-INWMFGNUSA-N 1 0 333.388 2.389 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000823933898 787992989 /nfs/dbraw/zinc/99/29/89/787992989.db2.gz ZHECRDSAZYWHGC-MRXNPFEDSA-N 1 0 333.392 2.127 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000912588469 788250540 /nfs/dbraw/zinc/25/05/40/788250540.db2.gz LUEHCTNVXXZAIE-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000173532654 791863261 /nfs/dbraw/zinc/86/32/61/791863261.db2.gz JJVMRKWLOOBELP-OAHLLOKOSA-N 1 0 329.404 2.345 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])c1 ZINC001171395643 794619833 /nfs/dbraw/zinc/61/98/33/794619833.db2.gz GOKCCNIBEWXDJC-GFCCVEGCSA-N 1 0 343.339 2.239 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cccc2ncc([N+](=O)[O-])n21 ZINC001171397439 794699619 /nfs/dbraw/zinc/69/96/19/794699619.db2.gz PVDAEPCLEQQWCY-NSHDSACASA-N 1 0 325.328 2.100 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](C)CNC(C)=O)c1F ZINC001173181538 797279447 /nfs/dbraw/zinc/27/94/47/797279447.db2.gz FVXKJFWILQONEX-GHMZBOCLSA-N 1 0 341.383 2.035 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC001173190981 797281786 /nfs/dbraw/zinc/28/17/86/797281786.db2.gz YWSUFZHNGNDMPG-STQMWFEESA-N 1 0 337.395 2.454 20 5 EEBDRO COc1ncnc2c1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173228138 797311290 /nfs/dbraw/zinc/31/12/90/797311290.db2.gz QYNFHIJARYLNKR-CYBMUJFWSA-N 1 0 342.399 2.425 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001173211914 797315016 /nfs/dbraw/zinc/31/50/16/797315016.db2.gz VJHHCIVTTRIKLV-CJNGLKHVSA-N 1 0 341.411 2.372 20 5 EEBDRO Cc1nc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC001175521418 798144068 /nfs/dbraw/zinc/14/40/68/798144068.db2.gz NHHMSGPZCLKFDY-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO COC(=O)COc1ccccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000921939720 798241944 /nfs/dbraw/zinc/24/19/44/798241944.db2.gz FMXZVZWVMGVQGH-UHFFFAOYSA-N 1 0 344.367 2.479 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110191136 798280592 /nfs/dbraw/zinc/28/05/92/798280592.db2.gz HKUNDCBLLYDQLK-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000917934503 798421101 /nfs/dbraw/zinc/42/11/01/798421101.db2.gz NNCDJMOUZRGTHE-UHFFFAOYSA-N 1 0 343.387 2.317 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3C(F)(F)F)cc2C1 ZINC001168818940 803468318 /nfs/dbraw/zinc/46/83/18/803468318.db2.gz BFLOCGMXTHBFOO-MRVPVSSYSA-N 1 0 327.266 2.010 20 5 EEBDRO COc1ccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001169000594 803565944 /nfs/dbraw/zinc/56/59/44/803565944.db2.gz XWEYKIOJQIDDSV-HUUCEWRRSA-N 1 0 349.431 2.173 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169007098 803568395 /nfs/dbraw/zinc/56/83/95/803568395.db2.gz KZYTWYALXMYFFH-KHMAMNHCSA-N 1 0 339.436 2.134 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034137 803578858 /nfs/dbraw/zinc/57/88/58/803578858.db2.gz FMAMLEJXFBMIHP-XJKSGUPXSA-N 1 0 335.379 2.029 20 5 EEBDRO O=C1Nc2ncccc2C2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169034512 803579160 /nfs/dbraw/zinc/57/91/60/803579160.db2.gz GSGQOYBDTCSYCR-STQMWFEESA-N 1 0 346.387 2.380 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034968 803579387 /nfs/dbraw/zinc/57/93/87/803579387.db2.gz IXDYJUXEFPXDQQ-RDBSUJKOSA-N 1 0 327.425 2.278 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037174 803580572 /nfs/dbraw/zinc/58/05/72/803580572.db2.gz QZHZUODDWXYGON-HZSPNIEDSA-N 1 0 327.425 2.373 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169040085 803583463 /nfs/dbraw/zinc/58/34/63/803583463.db2.gz XRZIZRRPZATVHZ-SYQHCUMBSA-N 1 0 327.425 2.277 20 5 EEBDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019231 803587479 /nfs/dbraw/zinc/58/74/79/803587479.db2.gz FVNLUQROZRUDTA-KBMXLJTQSA-N 1 0 335.448 2.203 20 5 EEBDRO COc1cc(NCc2ncn3c2C[NH2+]CCC3)cc([N+](=O)[O-])c1C ZINC001169242671 803666811 /nfs/dbraw/zinc/66/68/11/803666811.db2.gz SFVYIVDUMBKBLD-UHFFFAOYSA-N 1 0 331.376 2.214 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1F ZINC000866995765 803778878 /nfs/dbraw/zinc/77/88/78/803778878.db2.gz JMIZQNHYISFIMU-UHFFFAOYSA-N 1 0 347.412 2.003 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157265582 807197137 /nfs/dbraw/zinc/19/71/37/807197137.db2.gz JPVQEFLKCPAQLX-SFYZADRCSA-N 1 0 332.191 2.222 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788474955 807542663 /nfs/dbraw/zinc/54/26/63/807542663.db2.gz POHSPLRCQNHXPF-MRXNPFEDSA-N 1 0 346.387 2.142 20 5 EEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170313985 809886480 /nfs/dbraw/zinc/88/64/80/809886480.db2.gz SKJSFRLGSNKWAN-MRVWCRGKSA-N 1 0 336.388 2.466 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170325971 809891579 /nfs/dbraw/zinc/89/15/79/809891579.db2.gz ZMGQORRGNOKPOE-NSHDSACASA-N 1 0 347.371 2.454 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CC1 ZINC001157986520 811774932 /nfs/dbraw/zinc/77/49/32/811774932.db2.gz HKZULKXUNCHUSI-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO O=C(CC[N@H+]1CCCC[C@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000181683274 234283957 /nfs/dbraw/zinc/28/39/57/234283957.db2.gz GBPSFAWTDFZTHT-LBPRGKRZSA-N 1 0 339.367 2.299 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181884338 234367002 /nfs/dbraw/zinc/36/70/02/234367002.db2.gz DWJSQHHJHHKSHW-UHFFFAOYSA-N 1 0 349.387 2.127 20 5 EEBDRO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000193896027 240351002 /nfs/dbraw/zinc/35/10/02/240351002.db2.gz RXKMQIQEBBJIGD-SJCJKPOMSA-N 1 0 325.368 2.487 20 5 EEBDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422885302 283471086 /nfs/dbraw/zinc/47/10/86/283471086.db2.gz UDAIJMFMWHOQTE-JTQLQIEISA-N 1 0 329.809 2.290 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237957424 283499247 /nfs/dbraw/zinc/49/92/47/283499247.db2.gz BWNFAWPTCBZQNP-SNVBAGLBSA-N 1 0 342.193 2.311 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000236878827 201147908 /nfs/dbraw/zinc/14/79/08/201147908.db2.gz IDHHZGFQMOWZCF-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000261908749 201200879 /nfs/dbraw/zinc/20/08/79/201200879.db2.gz PWPSBKKSCOJPBY-ZETCQYMHSA-N 1 0 336.348 2.259 20 5 EEBDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000191635622 239225162 /nfs/dbraw/zinc/22/51/62/239225162.db2.gz NOHJBXZLIONFRR-HNNXBMFYSA-N 1 0 343.387 2.096 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418768545 239322740 /nfs/dbraw/zinc/32/27/40/239322740.db2.gz OXCLSACISBKNRS-KBPBESRZSA-N 1 0 332.404 2.396 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000422720601 240192802 /nfs/dbraw/zinc/19/28/02/240192802.db2.gz ZTSXPWRLYLHQLX-UHFFFAOYSA-N 1 0 329.809 2.162 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000193524338 240197342 /nfs/dbraw/zinc/19/73/42/240197342.db2.gz SCTIQEGNOGGRQS-TZMCWYRMSA-N 1 0 332.404 2.065 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1 ZINC000193661364 240254583 /nfs/dbraw/zinc/25/45/83/240254583.db2.gz XOKPMPUZJJMFSE-LJQANCHMSA-N 1 0 341.411 2.320 20 5 EEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422930970 240296365 /nfs/dbraw/zinc/29/63/65/240296365.db2.gz AIBCPWFHEHBRRY-INIZCTEOSA-N 1 0 334.420 2.421 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000424041967 240808191 /nfs/dbraw/zinc/80/81/91/240808191.db2.gz KHTZZEGPHXQAHF-UHFFFAOYSA-N 1 0 329.400 2.478 20 5 EEBDRO COc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1OC ZINC000429639003 241794839 /nfs/dbraw/zinc/79/48/39/241794839.db2.gz ZYIYQPMDAWQKKU-LBPRGKRZSA-N 1 0 339.392 2.057 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448566429 242413767 /nfs/dbraw/zinc/41/37/67/242413767.db2.gz RRVOZQZYLRXCKZ-UHFFFAOYSA-N 1 0 345.403 2.447 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000237082571 242473274 /nfs/dbraw/zinc/47/32/74/242473274.db2.gz DQRBQBNFNGHIFJ-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451699148 243212192 /nfs/dbraw/zinc/21/21/92/243212192.db2.gz UJILYQFOWGKSNG-VWPFQQQWSA-N 1 0 347.415 2.405 20 5 EEBDRO Cc1ccccc1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075717843 203322437 /nfs/dbraw/zinc/32/24/37/203322437.db2.gz XPBCDOJLJKRGTO-QGZVFWFLSA-N 1 0 344.415 2.340 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(C4CC4)nc3)CC2)n1 ZINC000459518589 245151926 /nfs/dbraw/zinc/15/19/26/245151926.db2.gz OQNIAMZQXWDPMC-UHFFFAOYSA-N 1 0 328.376 2.296 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747576 245235407 /nfs/dbraw/zinc/23/54/07/245235407.db2.gz GGHNCOAATVIMLC-HUUCEWRRSA-N 1 0 333.388 2.105 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459752570 245237110 /nfs/dbraw/zinc/23/71/10/245237110.db2.gz IOWFDIJGZHJXGO-LSDHHAIUSA-N 1 0 333.388 2.471 20 5 EEBDRO CCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000125898781 205031400 /nfs/dbraw/zinc/03/14/00/205031400.db2.gz TUCKVGXVUWNEAZ-LBPRGKRZSA-N 1 0 329.422 2.041 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000129427775 205194606 /nfs/dbraw/zinc/19/46/06/205194606.db2.gz VUYFUBINSRDPDW-NHYWBVRUSA-N 1 0 339.367 2.155 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[C@@H]1O ZINC000129427994 205195318 /nfs/dbraw/zinc/19/53/18/205195318.db2.gz VUYFUBINSRDPDW-ABAIWWIYSA-N 1 0 339.367 2.155 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000153288085 205835379 /nfs/dbraw/zinc/83/53/79/205835379.db2.gz RERQMEHMVPQZHV-SECBINFHSA-N 1 0 349.309 2.323 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000157469273 206138336 /nfs/dbraw/zinc/13/83/36/206138336.db2.gz MTFWPRFGTOEGDH-LBPRGKRZSA-N 1 0 342.399 2.219 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000264942892 247068527 /nfs/dbraw/zinc/06/85/27/247068527.db2.gz ANLBEVQWLCHNMH-ZDUSSCGKSA-N 1 0 331.376 2.107 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266210186 248174876 /nfs/dbraw/zinc/17/48/76/248174876.db2.gz XPMITZUZWGAZJI-HNNXBMFYSA-N 1 0 331.416 2.472 20 5 EEBDRO C[NH+](C)C/C=C/C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266286338 248224641 /nfs/dbraw/zinc/22/46/41/248224641.db2.gz COIDEBHZAUJLGA-ONEGZZNKSA-N 1 0 333.388 2.082 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000266499848 248332414 /nfs/dbraw/zinc/33/24/14/248332414.db2.gz WVFKMTBGTGHKPC-CVEARBPZSA-N 1 0 334.351 2.128 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000174639303 207041324 /nfs/dbraw/zinc/04/13/24/207041324.db2.gz NKQKZEQSLRDKKO-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000175626408 207143035 /nfs/dbraw/zinc/14/30/35/207143035.db2.gz FUGZHVGREDJIQB-KBPBESRZSA-N 1 0 349.435 2.179 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000176135326 207194133 /nfs/dbraw/zinc/19/41/33/207194133.db2.gz IRGIGIPRCJIEAI-TXEJJXNPSA-N 1 0 341.433 2.276 20 5 EEBDRO CC[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178260211 207462043 /nfs/dbraw/zinc/46/20/43/207462043.db2.gz DAFPKOFFHGGYFR-AWEZNQCLSA-N 1 0 348.403 2.356 20 5 EEBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269239264 255550977 /nfs/dbraw/zinc/55/09/77/255550977.db2.gz XVLJBKIZNZTDCM-CMPLNLGQSA-N 1 0 341.795 2.213 20 5 EEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC)cc1OC ZINC000267104155 256027078 /nfs/dbraw/zinc/02/70/78/256027078.db2.gz VFNXFEJRJAEAMJ-UHFFFAOYSA-N 1 0 334.376 2.331 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCSC1 ZINC000267154900 256032804 /nfs/dbraw/zinc/03/28/04/256032804.db2.gz XLNVCDMOFOTQHR-INIZCTEOSA-N 1 0 348.428 2.243 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137641 256211461 /nfs/dbraw/zinc/21/14/61/256211461.db2.gz NPWMZRNVXUKWDU-ZFWWWQNUSA-N 1 0 337.420 2.365 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000273589131 256309402 /nfs/dbraw/zinc/30/94/02/256309402.db2.gz HBBYUHPJBCXHGR-OAHLLOKOSA-N 1 0 327.388 2.361 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000275964441 256391364 /nfs/dbraw/zinc/39/13/64/256391364.db2.gz CHRWTACCFAJOHX-MNOVXSKESA-N 1 0 345.346 2.088 20 5 EEBDRO COc1cc(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000274306950 256372713 /nfs/dbraw/zinc/37/27/13/256372713.db2.gz LCJIYOXHVFJKML-DZGCQCFKSA-N 1 0 343.424 2.220 20 5 EEBDRO COC(=O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411269216 533411407 /nfs/dbraw/zinc/41/14/07/533411407.db2.gz NONCNDAWLWMRNM-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000089635998 159182451 /nfs/dbraw/zinc/18/24/51/159182451.db2.gz GIBJBGNHWQVDKG-RYUDHWBXSA-N 1 0 344.433 2.467 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247331477 160320302 /nfs/dbraw/zinc/32/03/02/160320302.db2.gz WXMPDZNDDSWIDZ-NVXWUHKLSA-N 1 0 346.431 2.263 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339581204 160850979 /nfs/dbraw/zinc/85/09/79/160850979.db2.gz AHJJEBNNSIDIGG-RYUDHWBXSA-N 1 0 326.324 2.127 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341821976 161016386 /nfs/dbraw/zinc/01/63/86/161016386.db2.gz KCECBEJJUUPUPL-JHJVBQTASA-N 1 0 334.420 2.472 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000342227102 161048956 /nfs/dbraw/zinc/04/89/56/161048956.db2.gz XUEWXTLFVQENNE-JEMSNHSXSA-N 1 0 338.429 2.413 20 5 EEBDRO NC(=O)c1cccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000342293991 161054230 /nfs/dbraw/zinc/05/42/30/161054230.db2.gz NEZOBAHIFYEPEZ-ZDUSSCGKSA-N 1 0 332.404 2.370 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342649506 161080543 /nfs/dbraw/zinc/08/05/43/161080543.db2.gz GIVIJNPCKIZSNS-NSHDSACASA-N 1 0 338.795 2.284 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3COCCO3)cs2)c1 ZINC000343428385 161135141 /nfs/dbraw/zinc/13/51/41/161135141.db2.gz MAQDOVCRPUEJQF-AWEZNQCLSA-N 1 0 335.385 2.223 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343446095 161137073 /nfs/dbraw/zinc/13/70/73/161137073.db2.gz LUXCDTFLHCPJHH-RISCZKNCSA-N 1 0 332.404 2.382 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344099383 161198280 /nfs/dbraw/zinc/19/82/80/161198280.db2.gz AZCQMXKTYSVMRF-BJJXKVORSA-N 1 0 335.379 2.471 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000344130959 161200976 /nfs/dbraw/zinc/20/09/76/161200976.db2.gz IUPSHBVRBYGIRL-TZMCWYRMSA-N 1 0 335.404 2.325 20 5 EEBDRO CO[C@@H]1C[C@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000345129596 161274500 /nfs/dbraw/zinc/27/45/00/161274500.db2.gz GRTBXYAJKIRVIV-VXGBXAGGSA-N 1 0 327.812 2.399 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345746331 161328184 /nfs/dbraw/zinc/32/81/84/161328184.db2.gz ASHPGRVHDIKWSS-KBPBESRZSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000345980419 161347300 /nfs/dbraw/zinc/34/73/00/161347300.db2.gz KSCFRBQJQRAPMK-KBPBESRZSA-N 1 0 344.415 2.491 20 5 EEBDRO CC1(C)CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000346473103 161375342 /nfs/dbraw/zinc/37/53/42/161375342.db2.gz FIIRWGYDVDHDER-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000151853721 292480092 /nfs/dbraw/zinc/48/00/92/292480092.db2.gz APBTVISRWMTWSI-UHFFFAOYSA-N 1 0 325.434 2.486 20 5 EEBDRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000355371991 163166101 /nfs/dbraw/zinc/16/61/01/163166101.db2.gz PYIMHEIDBMEQMH-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)Cc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000359025971 164040492 /nfs/dbraw/zinc/04/04/92/164040492.db2.gz LKLYDLUCILZWNE-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)c1[N+](=O)[O-] ZINC000359766896 164167811 /nfs/dbraw/zinc/16/78/11/164167811.db2.gz UJLRDHQYPFGGMY-NSHDSACASA-N 1 0 325.413 2.121 20 5 EEBDRO COc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000368708416 166112712 /nfs/dbraw/zinc/11/27/12/166112712.db2.gz XHUVUSVUTXKSGZ-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375700825 167178340 /nfs/dbraw/zinc/17/83/40/167178340.db2.gz JQFACSBHGUYEEK-GFCCVEGCSA-N 1 0 333.388 2.471 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000375757162 167186803 /nfs/dbraw/zinc/18/68/03/167186803.db2.gz KQEWUJUKGAPUAJ-RHSMWYFYSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3OCO4)CC2)n1 ZINC000376650249 167367620 /nfs/dbraw/zinc/36/76/20/167367620.db2.gz FCRYJKWABYLYQQ-UHFFFAOYSA-N 1 0 330.344 2.357 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)COC ZINC000271450167 268831013 /nfs/dbraw/zinc/83/10/13/268831013.db2.gz GCRQCRKIMQXULG-OLZOCXBDSA-N 1 0 328.434 2.453 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272655230 269004886 /nfs/dbraw/zinc/00/48/86/269004886.db2.gz GFEADAPGVKCSLA-AWEZNQCLSA-N 1 0 341.371 2.386 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000272715065 269012079 /nfs/dbraw/zinc/01/20/79/269012079.db2.gz WDLBHHRUTFXGHL-GVDBMIGSSA-N 1 0 336.388 2.420 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272800949 269021777 /nfs/dbraw/zinc/02/17/77/269021777.db2.gz HNPYZTATTDBPFB-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000274352473 269026749 /nfs/dbraw/zinc/02/67/49/269026749.db2.gz DKODRZUNPCPLQX-AWEZNQCLSA-N 1 0 326.393 2.315 20 5 EEBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278789868 269243455 /nfs/dbraw/zinc/24/34/55/269243455.db2.gz XZWSDFBWNBJGOG-KYJSFNMBSA-N 1 0 344.415 2.339 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000271846496 274159025 /nfs/dbraw/zinc/15/90/25/274159025.db2.gz VQNXYQVCEUUMGA-CJNGLKHVSA-N 1 0 332.404 2.108 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272342122 274167579 /nfs/dbraw/zinc/16/75/79/274167579.db2.gz NHVFKXRYWKVRFK-QWRGUYRKSA-N 1 0 349.416 2.202 20 5 EEBDRO CCOC(=O)c1ccnc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000277963760 274326557 /nfs/dbraw/zinc/32/65/57/274326557.db2.gz UNFGEJISQWGYFZ-UHFFFAOYSA-N 1 0 348.403 2.453 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]3CCO)n2)cc1 ZINC000279369969 274469962 /nfs/dbraw/zinc/46/99/62/274469962.db2.gz XADJQZFPDYUQAX-SMDDNHRTSA-N 1 0 332.360 2.286 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238023265 274951789 /nfs/dbraw/zinc/95/17/89/274951789.db2.gz CPDFLYJNYJWXTC-MLGOLLRUSA-N 1 0 343.387 2.028 20 5 EEBDRO CCc1nn(C)c(NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000288160441 275030435 /nfs/dbraw/zinc/03/04/35/275030435.db2.gz PGHONLXEYOGURA-UHFFFAOYSA-N 1 0 347.419 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccncc21 ZINC000375777083 275036442 /nfs/dbraw/zinc/03/64/42/275036442.db2.gz PXBABRTVCFNWJN-ROUUACIJSA-N 1 0 342.399 2.178 20 5 EEBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289438905 275115881 /nfs/dbraw/zinc/11/58/81/275115881.db2.gz OFRLXORJPIEWOO-DOTOQJQBSA-N 1 0 348.403 2.244 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000289465014 275118190 /nfs/dbraw/zinc/11/81/90/275118190.db2.gz AFLZVUGJDWVGMO-TZMCWYRMSA-N 1 0 325.796 2.499 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290790341 275240056 /nfs/dbraw/zinc/24/00/56/275240056.db2.gz DBEPJGBINDMOOF-GFCCVEGCSA-N 1 0 347.246 2.237 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291686213 275330059 /nfs/dbraw/zinc/33/00/59/275330059.db2.gz HDXBISFJGSPWGD-OAHLLOKOSA-N 1 0 343.387 2.375 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000374988594 276300614 /nfs/dbraw/zinc/30/06/14/276300614.db2.gz OFGHCJHQHOVHSX-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])c4nonc43)C2)CC1 ZINC000366828552 277036721 /nfs/dbraw/zinc/03/67/21/277036721.db2.gz DIRHMAFUANAIKR-UHFFFAOYSA-N 1 0 331.376 2.443 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352519388 277249935 /nfs/dbraw/zinc/24/99/35/277249935.db2.gz OHDYXQUIZXUBMH-YPMHNXCESA-N 1 0 325.434 2.422 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000180395085 278255170 /nfs/dbraw/zinc/25/51/70/278255170.db2.gz PLAUOWXHQMJBKE-JQFCIGGWSA-N 1 0 347.415 2.415 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124473361 279069514 /nfs/dbraw/zinc/06/95/14/279069514.db2.gz VQAUQHKLRRVJDM-ZDUSSCGKSA-N 1 0 349.840 2.290 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000263789666 279205501 /nfs/dbraw/zinc/20/55/01/279205501.db2.gz XAEJKOADIXDWJB-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246227430 289383784 /nfs/dbraw/zinc/38/37/84/289383784.db2.gz RPBSXVRGCZMTMJ-CABCVRRESA-N 1 0 346.431 2.340 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000297618960 294297768 /nfs/dbraw/zinc/29/77/68/294297768.db2.gz BGSCPJSDZWJDQY-UHFFFAOYSA-N 1 0 347.375 2.004 20 5 EEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298702676 294564287 /nfs/dbraw/zinc/56/42/87/294564287.db2.gz HVWSUORTXOTNJI-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332222275 311971797 /nfs/dbraw/zinc/97/17/97/311971797.db2.gz YPGQODQWXMZKIW-XOKHGSTOSA-N 1 0 347.415 2.351 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332322028 311988750 /nfs/dbraw/zinc/98/87/50/311988750.db2.gz RPTUUHBOXHYNNW-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO CC(C)[N@H+](C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000350731306 312341439 /nfs/dbraw/zinc/34/14/39/312341439.db2.gz YBVIWTCMXFHWLF-UHFFFAOYSA-N 1 0 345.403 2.311 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998879 313682837 /nfs/dbraw/zinc/68/28/37/313682837.db2.gz VPDCFEHECGBVFF-GFCCVEGCSA-N 1 0 328.800 2.073 20 5 EEBDRO CC(C)(C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088345 313709618 /nfs/dbraw/zinc/70/96/18/313709618.db2.gz KBGGBAWNEAWQJG-UHFFFAOYSA-N 1 0 334.298 2.150 20 5 EEBDRO C[C@H](NC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000418229218 313756178 /nfs/dbraw/zinc/75/61/78/313756178.db2.gz GKZBUKZERZFPBK-ZDUSSCGKSA-N 1 0 332.404 2.441 20 5 EEBDRO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000437880956 315056487 /nfs/dbraw/zinc/05/64/87/315056487.db2.gz ZLWHDRXFGIQJMU-CQSZACIVSA-N 1 0 334.420 2.460 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440414409 315129793 /nfs/dbraw/zinc/12/97/93/315129793.db2.gz WCXOQUWPXXTLHP-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000444628102 315312700 /nfs/dbraw/zinc/31/27/00/315312700.db2.gz GSNHKZOJTQYQIT-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO NC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444670973 315315412 /nfs/dbraw/zinc/31/54/12/315315412.db2.gz HHGQOIJQKOQPHW-AWEZNQCLSA-N 1 0 345.403 2.385 20 5 EEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000449145627 315423368 /nfs/dbraw/zinc/42/33/68/315423368.db2.gz YOXSOBLWHNEVEI-CYBMUJFWSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000507272160 316376814 /nfs/dbraw/zinc/37/68/14/316376814.db2.gz KEMZERREXPUCKE-KWBADKCTSA-N 1 0 339.417 2.272 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000539295490 318053535 /nfs/dbraw/zinc/05/35/35/318053535.db2.gz OPYDIZXDXAFJBA-JGGQBBKZSA-N 1 0 335.404 2.190 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000548508579 318393328 /nfs/dbraw/zinc/39/33/28/318393328.db2.gz RIWHDIOHFADTQO-ZDUSSCGKSA-N 1 0 329.404 2.389 20 5 EEBDRO COc1ccc(CC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000562945698 318947087 /nfs/dbraw/zinc/94/70/87/318947087.db2.gz UVAZHTRFICEBKM-UHFFFAOYSA-N 1 0 335.404 2.135 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)COC2 ZINC000564852468 319118196 /nfs/dbraw/zinc/11/81/96/319118196.db2.gz LXUWWSJHACHVJF-INIZCTEOSA-N 1 0 344.367 2.155 20 5 EEBDRO CNc1ccc(C(=O)N(C)Cc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000565987561 319232244 /nfs/dbraw/zinc/23/22/44/319232244.db2.gz ROPVAIZFBJIKCV-UHFFFAOYSA-N 1 0 343.387 2.442 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000572149608 319820014 /nfs/dbraw/zinc/82/00/14/319820014.db2.gz LWEIWERICMWSDT-CJNGLKHVSA-N 1 0 330.388 2.164 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000576570904 320184041 /nfs/dbraw/zinc/18/40/41/320184041.db2.gz LQDUSEGTHMQZDK-CYBMUJFWSA-N 1 0 349.435 2.435 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000582308520 324428077 /nfs/dbraw/zinc/42/80/77/324428077.db2.gz FAUYHCJDCLWQCW-UHFFFAOYSA-N 1 0 333.388 2.337 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000583626024 324700312 /nfs/dbraw/zinc/70/03/12/324700312.db2.gz BPLJHDPRYZEEAS-KRWDZBQOSA-N 1 0 344.367 2.155 20 5 EEBDRO Cn1cnc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358403927 465103296 /nfs/dbraw/zinc/10/32/96/465103296.db2.gz QEYZEKBTFBHUDX-DZGCQCFKSA-N 1 0 329.404 2.267 20 5 EEBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354826603 465175013 /nfs/dbraw/zinc/17/50/13/465175013.db2.gz IOPDSGHWZFIXOQ-WQGACYEGSA-N 1 0 348.378 2.299 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000298028260 465277974 /nfs/dbraw/zinc/27/79/74/465277974.db2.gz BVTAPJGBXQSZCZ-LLVKDONJSA-N 1 0 339.392 2.023 20 5 EEBDRO Nc1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc1[N+](=O)[O-] ZINC000590571718 468276266 /nfs/dbraw/zinc/27/62/66/468276266.db2.gz WCCHBFJWMPURRT-HNNXBMFYSA-N 1 0 327.388 2.821 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000356429791 465375340 /nfs/dbraw/zinc/37/53/40/465375340.db2.gz QSDWOMRUUWQWRA-UHFFFAOYSA-N 1 0 349.435 2.057 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000351870394 465408518 /nfs/dbraw/zinc/40/85/18/465408518.db2.gz MFENGCFSAHZANG-UHFFFAOYSA-N 1 0 335.408 2.142 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045753668 462615355 /nfs/dbraw/zinc/61/53/55/462615355.db2.gz BJVBRIINSVHYDK-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644489 462703275 /nfs/dbraw/zinc/70/32/75/462703275.db2.gz YVOJXAMJBZKJQQ-RDJZCZTQSA-N 1 0 342.399 2.346 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000154160049 462736719 /nfs/dbraw/zinc/73/67/19/462736719.db2.gz GDQJMBQMLHENKR-GJZGRUSLSA-N 1 0 349.434 2.493 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000047146125 462747808 /nfs/dbraw/zinc/74/78/08/462747808.db2.gz XLLDNNRYUYSTRJ-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000154420049 462767246 /nfs/dbraw/zinc/76/72/46/462767246.db2.gz UPKCEMXOHVROJH-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO COc1ccc(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000047405772 462778756 /nfs/dbraw/zinc/77/87/56/462778756.db2.gz AZKDOMSCGSIHHF-LBPRGKRZSA-N 1 0 349.387 2.043 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C ZINC000552214900 468318573 /nfs/dbraw/zinc/31/85/73/468318573.db2.gz SVQVMAIVOHJNRO-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO CO[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117338825 462800792 /nfs/dbraw/zinc/80/07/92/462800792.db2.gz YMDZFYHWISDYOO-ZDUSSCGKSA-N 1 0 335.360 2.004 20 5 EEBDRO Nc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000010090499 462811629 /nfs/dbraw/zinc/81/16/29/462811629.db2.gz GKLWWZZBOANWKX-HNNXBMFYSA-N 1 0 344.371 2.337 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000118826245 462855353 /nfs/dbraw/zinc/85/53/53/462855353.db2.gz QBAQXUBIOIDVJR-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091453706 462880132 /nfs/dbraw/zinc/88/01/32/462880132.db2.gz XDYMJACBQBIJCW-ZDUSSCGKSA-N 1 0 335.404 2.293 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119442542 462901692 /nfs/dbraw/zinc/90/16/92/462901692.db2.gz XFYPYCXJKPUQLF-UHFFFAOYSA-N 1 0 349.431 2.063 20 5 EEBDRO CC(C)C[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000049969359 462980945 /nfs/dbraw/zinc/98/09/45/462980945.db2.gz VCEDBDRLANCLMP-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000134278165 463022172 /nfs/dbraw/zinc/02/21/72/463022172.db2.gz AXWWSZYHTGKVPT-DLBZAZTESA-N 1 0 344.415 2.278 20 5 EEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000120761958 463034679 /nfs/dbraw/zinc/03/46/79/463034679.db2.gz MTRNYKNVAVXBKE-LBPRGKRZSA-N 1 0 341.433 2.060 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000077932856 463073488 /nfs/dbraw/zinc/07/34/88/463073488.db2.gz HVEKSUVUDFEAJA-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068178505 463101967 /nfs/dbraw/zinc/10/19/67/463101967.db2.gz UNINGWDSMWEATQ-UHFFFAOYSA-N 1 0 344.415 2.350 20 5 EEBDRO CN(C)c1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000121357629 463122183 /nfs/dbraw/zinc/12/21/83/463122183.db2.gz UOWHSRWSFJKYDP-UHFFFAOYSA-N 1 0 341.415 2.378 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC1)OCCO2 ZINC000026936713 463178140 /nfs/dbraw/zinc/17/81/40/463178140.db2.gz KKFHRRHSPSJIRW-UHFFFAOYSA-N 1 0 349.387 2.071 20 5 EEBDRO CCOc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000057000357 463441824 /nfs/dbraw/zinc/44/18/24/463441824.db2.gz KIPRNEXRFSTEKN-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1nn(C)c(N2CC[NH+](CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000057141393 463456157 /nfs/dbraw/zinc/45/61/57/463456157.db2.gz ZMQFOPASYLGDOS-UHFFFAOYSA-N 1 0 335.433 2.063 20 5 EEBDRO CC(C)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161966977 463473506 /nfs/dbraw/zinc/47/35/06/463473506.db2.gz BWAVIIJAUNWHJL-CYBMUJFWSA-N 1 0 343.449 2.287 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000072608825 463524691 /nfs/dbraw/zinc/52/46/91/463524691.db2.gz JQOSKADKSVJFHZ-IRXDYDNUSA-N 1 0 348.378 2.422 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])CC1 ZINC000151580514 463556034 /nfs/dbraw/zinc/55/60/34/463556034.db2.gz AGUSQSZIPPSDLS-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000073246457 463596624 /nfs/dbraw/zinc/59/66/24/463596624.db2.gz MBJABLIRLAAYQD-UHFFFAOYSA-N 1 0 339.392 2.151 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110992655 463668424 /nfs/dbraw/zinc/66/84/24/463668424.db2.gz WATJJTQLXGYPOD-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276911918 463804988 /nfs/dbraw/zinc/80/49/88/463804988.db2.gz NKXLUWXWNVRLMY-UHFFFAOYSA-N 1 0 326.393 2.478 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397419 463855936 /nfs/dbraw/zinc/85/59/36/463855936.db2.gz PXVPGRNVFBHXLU-CYBMUJFWSA-N 1 0 349.366 2.052 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000171412693 463858388 /nfs/dbraw/zinc/85/83/88/463858388.db2.gz ABUBUJRDFGTAKI-VOTSOKGWSA-N 1 0 347.415 2.225 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCNC[C@H]1c1cccnc1 ZINC000261910295 463896361 /nfs/dbraw/zinc/89/63/61/463896361.db2.gz HMRSQPDKAVUJDJ-HNNXBMFYSA-N 1 0 346.774 2.430 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000194729888 463916921 /nfs/dbraw/zinc/91/69/21/463916921.db2.gz UEVVBNDIAKBMBD-TZMCWYRMSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283581554 463931942 /nfs/dbraw/zinc/93/19/42/463931942.db2.gz KVPHMRGHJPWSDU-NSHDSACASA-N 1 0 338.383 2.310 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283668278 463966520 /nfs/dbraw/zinc/96/65/20/463966520.db2.gz FFVCZFYUAFFQOG-NSHDSACASA-N 1 0 338.383 2.263 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](OCCO)C1 ZINC000172291931 464039772 /nfs/dbraw/zinc/03/97/72/464039772.db2.gz ZYAYHAZHZIDNHD-MRXNPFEDSA-N 1 0 338.404 2.355 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279410783 464100675 /nfs/dbraw/zinc/10/06/75/464100675.db2.gz VVPKWGFEFKVODX-MLGOLLRUSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292333070 464198859 /nfs/dbraw/zinc/19/88/59/464198859.db2.gz JYKPWNWYXUYEHJ-AWEZNQCLSA-N 1 0 347.415 2.306 20 5 EEBDRO Cn1cc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000263824931 464206305 /nfs/dbraw/zinc/20/63/05/464206305.db2.gz RPTDATWYIDNKAX-UHFFFAOYSA-N 1 0 340.387 2.061 20 5 EEBDRO C[C@H]1C[C@@H](O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292392291 464216628 /nfs/dbraw/zinc/21/66/28/464216628.db2.gz KMPRHOADBDQZKW-ONGXEEELSA-N 1 0 327.768 2.032 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978294 464217529 /nfs/dbraw/zinc/21/75/29/464217529.db2.gz DBCUIRNVXPPQGS-UKRRQHHQSA-N 1 0 336.388 2.476 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000263881820 464226713 /nfs/dbraw/zinc/22/67/13/464226713.db2.gz BZCVAVNDKDYJDQ-NSHDSACASA-N 1 0 325.413 2.121 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270234638 464228670 /nfs/dbraw/zinc/22/86/70/464228670.db2.gz OGJRJWXETPKVPA-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO Cc1nn(C)c(NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000180043320 464229707 /nfs/dbraw/zinc/22/97/07/464229707.db2.gz YBUWRDWZUHMGBV-UHFFFAOYSA-N 1 0 330.392 2.360 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270275932 464242669 /nfs/dbraw/zinc/24/26/69/464242669.db2.gz SMKPQBKQVXNLMR-IRXDYDNUSA-N 1 0 342.399 2.362 20 5 EEBDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000292472569 464244988 /nfs/dbraw/zinc/24/49/88/464244988.db2.gz ZVIMCGDSRVTQPX-ZDUSSCGKSA-N 1 0 333.367 2.141 20 5 EEBDRO CC[C@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000270567061 464260060 /nfs/dbraw/zinc/26/00/60/464260060.db2.gz NHXGGYUQZFVGFS-RYUDHWBXSA-N 1 0 341.383 2.024 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000280958499 464282004 /nfs/dbraw/zinc/28/20/04/464282004.db2.gz KGTWCRQCIJPTBG-CQSZACIVSA-N 1 0 338.429 2.484 20 5 EEBDRO CN(CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000173665888 464305817 /nfs/dbraw/zinc/30/58/17/464305817.db2.gz UCUHLWBBUNNCCW-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180434984 464311263 /nfs/dbraw/zinc/31/12/63/464311263.db2.gz LQFQDAIFFMYYCV-CQSZACIVSA-N 1 0 343.383 2.441 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000180454365 464314796 /nfs/dbraw/zinc/31/47/96/464314796.db2.gz XYJMZSRAZYRUGV-NEPJUHHUSA-N 1 0 349.387 2.174 20 5 EEBDRO Cn1cc(C[NH2+]CC(C)(C)CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000173872639 464322948 /nfs/dbraw/zinc/32/29/48/464322948.db2.gz JZPAWSDJEIXSEC-UHFFFAOYSA-N 1 0 332.404 2.494 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC[NH+]1CCCC1 ZINC000281215337 464373657 /nfs/dbraw/zinc/37/36/57/464373657.db2.gz DLUFPMNMTJPYCZ-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO [NH3+]CC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000238012958 464419378 /nfs/dbraw/zinc/41/93/78/464419378.db2.gz XGECFOCIJLWJIR-UHFFFAOYSA-N 1 0 341.795 2.405 20 5 EEBDRO C[C@]1(CCCO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000272022077 464449485 /nfs/dbraw/zinc/44/94/85/464449485.db2.gz NATPLVBPPHOYOP-GOSISDBHSA-N 1 0 347.415 2.111 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285175538 464477077 /nfs/dbraw/zinc/47/70/77/464477077.db2.gz QYQRHGFLLLECMY-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCCC2=O)c1 ZINC000181395689 464483517 /nfs/dbraw/zinc/48/35/17/464483517.db2.gz KGDBUWPTSORPNL-ZDUSSCGKSA-N 1 0 343.387 2.269 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272174612 464506120 /nfs/dbraw/zinc/50/61/20/464506120.db2.gz KFYYMTDVNMOAOK-LLVKDONJSA-N 1 0 337.424 2.244 20 5 EEBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000281795936 464588756 /nfs/dbraw/zinc/58/87/56/464588756.db2.gz OMPUAVMOXNWYBL-UHFFFAOYSA-N 1 0 335.408 2.094 20 5 EEBDRO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000182171498 464590255 /nfs/dbraw/zinc/59/02/55/464590255.db2.gz WRFFXJZWBHTVHD-UHFFFAOYSA-N 1 0 326.418 2.491 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182227137 464606142 /nfs/dbraw/zinc/60/61/42/464606142.db2.gz RIQVVKFUTQCLGQ-GFCCVEGCSA-N 1 0 349.387 2.127 20 5 EEBDRO COc1cc(C[NH2+]C[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484937 464626890 /nfs/dbraw/zinc/62/68/90/464626890.db2.gz TYRHGYFXYOBXBI-SNVBAGLBSA-N 1 0 346.330 2.373 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285615374 464629664 /nfs/dbraw/zinc/62/96/64/464629664.db2.gz WBTZCIWQXJZJMJ-OLZOCXBDSA-N 1 0 335.408 2.045 20 5 EEBDRO CC1(C)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000190520571 464665809 /nfs/dbraw/zinc/66/58/09/464665809.db2.gz ZTUVUHWXVFQEKB-CQSZACIVSA-N 1 0 338.404 2.224 20 5 EEBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247655741 464699967 /nfs/dbraw/zinc/69/99/67/464699967.db2.gz POYSEDFJZFBXMQ-FUHWJXTLSA-N 1 0 346.431 2.495 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000176236658 464727596 /nfs/dbraw/zinc/72/75/96/464727596.db2.gz PNTKMUCVLINFNQ-QGZVFWFLSA-N 1 0 348.378 2.376 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000176385194 464761416 /nfs/dbraw/zinc/76/14/16/464761416.db2.gz HTRNOOWSBPRGTF-UHFFFAOYSA-N 1 0 334.401 2.352 20 5 EEBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994044 464768269 /nfs/dbraw/zinc/76/82/69/464768269.db2.gz FYULHEQVNVKPRA-MNOVXSKESA-N 1 0 335.360 2.430 20 5 EEBDRO COCCOCCOCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276135949 464821423 /nfs/dbraw/zinc/82/14/23/464821423.db2.gz DISBRYQYHKUWHK-FNORWQNLSA-N 1 0 338.404 2.219 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000295433860 464831431 /nfs/dbraw/zinc/83/14/31/464831431.db2.gz VDAQEVUJLNYPNS-LBPRGKRZSA-N 1 0 347.415 2.468 20 5 EEBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249096732 464839780 /nfs/dbraw/zinc/83/97/80/464839780.db2.gz MFOPWDUKBQUTJO-XQQFMLRXSA-N 1 0 334.420 2.154 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000266933076 464875986 /nfs/dbraw/zinc/87/59/86/464875986.db2.gz UFTZSSLTEUQNRE-UHFFFAOYSA-N 1 0 330.388 2.473 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000176920176 464886917 /nfs/dbraw/zinc/88/69/17/464886917.db2.gz PYEAXDQSKBNZNN-AWEZNQCLSA-N 1 0 343.811 2.335 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239305 464987843 /nfs/dbraw/zinc/98/78/43/464987843.db2.gz UNPHWEFNTAXVTL-YMTOWFKASA-N 1 0 348.359 2.024 20 5 EEBDRO CCN(CCO)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000184548925 464994718 /nfs/dbraw/zinc/99/47/18/464994718.db2.gz PPGWNRWKCNMIQM-UHFFFAOYSA-N 1 0 333.388 2.259 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192942441 465018852 /nfs/dbraw/zinc/01/88/52/465018852.db2.gz DNPSXIZXHRAZTR-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+](C)C ZINC000298353628 465371943 /nfs/dbraw/zinc/37/19/43/465371943.db2.gz NUDCBBQYWICUHO-CQSZACIVSA-N 1 0 337.423 2.221 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000359098398 465375954 /nfs/dbraw/zinc/37/59/54/465375954.db2.gz SUWCAKZISOLINE-HNNXBMFYSA-N 1 0 347.463 2.211 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593919025 468434030 /nfs/dbraw/zinc/43/40/30/468434030.db2.gz LYXZFIFUFHQEEF-UHFFFAOYSA-N 1 0 334.420 2.293 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000356766055 465527563 /nfs/dbraw/zinc/52/75/63/465527563.db2.gz AOKSBWIVHASXSR-ZDUSSCGKSA-N 1 0 345.403 2.239 20 5 EEBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000299047985 465575475 /nfs/dbraw/zinc/57/54/75/465575475.db2.gz HAKDVKCBWCHENJ-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356884035 465600698 /nfs/dbraw/zinc/60/06/98/465600698.db2.gz QVFCXNIEBPTRRB-RYUDHWBXSA-N 1 0 330.388 2.170 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000362362370 465680790 /nfs/dbraw/zinc/68/07/90/465680790.db2.gz MGBDZVHQTYRRIL-YOEHRIQHSA-N 1 0 336.388 2.421 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330598330 465724348 /nfs/dbraw/zinc/72/43/48/465724348.db2.gz SSSKGYUBDYRJMO-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261434 465869384 /nfs/dbraw/zinc/86/93/84/465869384.db2.gz DNCUFUKPYDSGLH-LRDDRELGSA-N 1 0 329.404 2.387 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330960583 465874453 /nfs/dbraw/zinc/87/44/53/465874453.db2.gz FOUTUMYHYISWCS-HNNXBMFYSA-N 1 0 345.403 2.417 20 5 EEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366722720 465897895 /nfs/dbraw/zinc/89/78/95/465897895.db2.gz KTCHKOHGEFJOSW-OAHLLOKOSA-N 1 0 349.435 2.095 20 5 EEBDRO CC[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000346210268 465993847 /nfs/dbraw/zinc/99/38/47/465993847.db2.gz ANJYDBLBNHTGCT-AWEZNQCLSA-N 1 0 337.376 2.440 20 5 EEBDRO CNc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216394 465999247 /nfs/dbraw/zinc/99/92/47/465999247.db2.gz INJDWGMKRACHCX-XJKCOSOUSA-N 1 0 346.431 2.439 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000301644730 466002284 /nfs/dbraw/zinc/00/22/84/466002284.db2.gz HMBKFIJHZMECFI-CHWSQXEVSA-N 1 0 331.294 2.133 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H](CO)O3)o2)c1 ZINC000353707327 466084650 /nfs/dbraw/zinc/08/46/50/466084650.db2.gz QGFVKFSMATWIIM-HOCLYGCPSA-N 1 0 332.356 2.484 20 5 EEBDRO CN1CC[NH+](CCC(C)(C)Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302273596 466129790 /nfs/dbraw/zinc/12/97/90/466129790.db2.gz SKIXCMUCIGEMBP-UHFFFAOYSA-N 1 0 341.843 2.471 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331709522 466210265 /nfs/dbraw/zinc/21/02/65/466210265.db2.gz FCHWZSCSONILAA-KBXCAEBGSA-N 1 0 347.415 2.105 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000331721664 466217404 /nfs/dbraw/zinc/21/74/04/466217404.db2.gz TUIKAJYJDVNQCH-INIZCTEOSA-N 1 0 347.415 2.279 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367272582 466231637 /nfs/dbraw/zinc/23/16/37/466231637.db2.gz VJVMTXNSWISQFC-CVEARBPZSA-N 1 0 346.431 2.406 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000349868134 466281729 /nfs/dbraw/zinc/28/17/29/466281729.db2.gz LOXUNCJEGWKQBO-AWEZNQCLSA-N 1 0 349.435 2.180 20 5 EEBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000367373845 466298090 /nfs/dbraw/zinc/29/80/90/466298090.db2.gz YQHQIWAPMNJGEU-QGZVFWFLSA-N 1 0 336.388 2.446 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000361832436 466332084 /nfs/dbraw/zinc/33/20/84/466332084.db2.gz YMVMBZUEUOEJAJ-NWDGAFQWSA-N 1 0 334.376 2.205 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(CO)CC1 ZINC000361980089 466456013 /nfs/dbraw/zinc/45/60/13/466456013.db2.gz GUFMDEQLGTVEAR-IYXRBSQSSA-N 1 0 335.404 2.453 20 5 EEBDRO CCCC[N@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354338852 466486822 /nfs/dbraw/zinc/48/68/22/466486822.db2.gz JEFUUMHYLWWWJB-UHFFFAOYSA-N 1 0 335.451 2.204 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332287159 466489662 /nfs/dbraw/zinc/48/96/62/466489662.db2.gz YYABRADUZQQNGX-HNNXBMFYSA-N 1 0 330.388 2.488 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591678357 468501340 /nfs/dbraw/zinc/50/13/40/468501340.db2.gz QHMSPNPUGKKDHN-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)n1 ZINC000347344501 466579671 /nfs/dbraw/zinc/57/96/71/466579671.db2.gz QLZZBHBMBQQSCL-ZIAGYGMSSA-N 1 0 348.428 2.292 20 5 EEBDRO C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)c1ccccc1 ZINC000347363039 466590892 /nfs/dbraw/zinc/59/08/92/466590892.db2.gz JKDOWXXIDMRHOG-HUUCEWRRSA-N 1 0 332.404 2.278 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205238 466696210 /nfs/dbraw/zinc/69/62/10/466696210.db2.gz DZNFVZOGRLLSDW-BBRMVZONSA-N 1 0 329.404 2.007 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217687 466698388 /nfs/dbraw/zinc/69/83/88/466698388.db2.gz UIHDJZQKXNPBBG-CJNGLKHVSA-N 1 0 329.404 2.007 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000417720782 466917670 /nfs/dbraw/zinc/91/76/70/466917670.db2.gz SCAFYBLPKOLBKO-HNNXBMFYSA-N 1 0 334.420 2.216 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992538 466940158 /nfs/dbraw/zinc/94/01/58/466940158.db2.gz GHWZDKPBDRSDQV-MRXNPFEDSA-N 1 0 341.367 2.147 20 5 EEBDRO COC1([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000412025226 466969179 /nfs/dbraw/zinc/96/91/79/466969179.db2.gz PLOYMHGTZBTXJS-LBPRGKRZSA-N 1 0 333.388 2.031 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412050269 466981891 /nfs/dbraw/zinc/98/18/91/466981891.db2.gz SSCHSQCFDHJVKX-LZWOXQAQSA-N 1 0 347.415 2.325 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417997902 467017328 /nfs/dbraw/zinc/01/73/28/467017328.db2.gz UQLDXGZXIYWWHW-WDEREUQCSA-N 1 0 340.811 2.183 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127155 467020034 /nfs/dbraw/zinc/02/00/34/467020034.db2.gz KWAUNEZJUDDUGU-KKBVYLPWSA-N 1 0 331.416 2.497 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000377648237 467105289 /nfs/dbraw/zinc/10/52/89/467105289.db2.gz JKIBFLJWMIWMBF-QGZVFWFLSA-N 1 0 346.387 2.485 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418754622 467155300 /nfs/dbraw/zinc/15/53/00/467155300.db2.gz BHPUDCZUVVVJGC-GXTWGEPZSA-N 1 0 332.404 2.396 20 5 EEBDRO CCOC(=O)c1ccnc(NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000450952668 467213716 /nfs/dbraw/zinc/21/37/16/467213716.db2.gz VBOJCJCMLXUSJT-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420234142 467326315 /nfs/dbraw/zinc/32/63/15/467326315.db2.gz AWUIUEVZHWDVHM-CQSZACIVSA-N 1 0 341.433 2.188 20 5 EEBDRO CCOC(=O)c1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000433721246 467348959 /nfs/dbraw/zinc/34/89/59/467348959.db2.gz GZVLSAUEZMPBJN-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1cc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420376835 467385343 /nfs/dbraw/zinc/38/53/43/467385343.db2.gz AOOFCIAODBFQRG-UWVGGRQHSA-N 1 0 345.346 2.387 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555199 467439753 /nfs/dbraw/zinc/43/97/53/467439753.db2.gz OJAFMBPUNAGRIM-RDBSUJKOSA-N 1 0 334.420 2.289 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405348363 467480548 /nfs/dbraw/zinc/48/05/48/467480548.db2.gz MIPRATWLZANYRL-DGCLKSJQSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000453622444 467505947 /nfs/dbraw/zinc/50/59/47/467505947.db2.gz WZFBLIJHMMVLMW-CQSZACIVSA-N 1 0 327.384 2.432 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000408209094 467528498 /nfs/dbraw/zinc/52/84/98/467528498.db2.gz QSEBAZMNVMGOSE-FRRDWIJNSA-N 1 0 347.419 2.049 20 5 EEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062222 467616088 /nfs/dbraw/zinc/61/60/88/467616088.db2.gz YCIVQCLONJWNRP-DOTOQJQBSA-N 1 0 335.448 2.472 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1CCCO ZINC000449384969 467634802 /nfs/dbraw/zinc/63/48/02/467634802.db2.gz DARLMRLYHIZSKM-HAZIXKIPSA-N 1 0 333.432 2.435 20 5 EEBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449538094 467660057 /nfs/dbraw/zinc/66/00/57/467660057.db2.gz GZLDYVGVQYZRBX-GXSJLCMTSA-N 1 0 348.346 2.496 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449568440 467663622 /nfs/dbraw/zinc/66/36/22/467663622.db2.gz ZHJMJNBFUBGDBW-ZJUUUORDSA-N 1 0 329.784 2.259 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000449636807 467673302 /nfs/dbraw/zinc/67/33/02/467673302.db2.gz FGOYDPJIRJHHDK-WCQYABFASA-N 1 0 332.404 2.416 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642015 467674676 /nfs/dbraw/zinc/67/46/76/467674676.db2.gz WFPYIVGEVXJNQE-ZIAGYGMSSA-N 1 0 334.420 2.421 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496730730 467699783 /nfs/dbraw/zinc/69/97/83/467699783.db2.gz OCKGREBBGGYXHK-AWEZNQCLSA-N 1 0 339.392 2.085 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCO[C@@H](CC)C1 ZINC000487161423 468026274 /nfs/dbraw/zinc/02/62/74/468026274.db2.gz GRDJSBWINWALSL-INIZCTEOSA-N 1 0 337.420 2.194 20 5 EEBDRO CC(C)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487976694 468064683 /nfs/dbraw/zinc/06/46/83/468064683.db2.gz ZWSNPANTYAYMLU-MRXNPFEDSA-N 1 0 334.420 2.195 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753701 468102485 /nfs/dbraw/zinc/10/24/85/468102485.db2.gz NDNVWQJDFRWZQK-XJKCOSOUSA-N 1 0 346.431 2.121 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000532873069 468146464 /nfs/dbraw/zinc/14/64/64/468146464.db2.gz IYVRUHSVTCHXKU-HUUCEWRRSA-N 1 0 347.415 2.089 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000532873068 468146820 /nfs/dbraw/zinc/14/68/20/468146820.db2.gz IYVRUHSVTCHXKU-GJZGRUSLSA-N 1 0 347.415 2.089 20 5 EEBDRO CN1CC[NH+](CCCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000533529521 468208371 /nfs/dbraw/zinc/20/83/71/468208371.db2.gz FFMVKCRQMCWACT-UHFFFAOYSA-N 1 0 328.363 2.313 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375079 468242831 /nfs/dbraw/zinc/24/28/31/468242831.db2.gz QTOKSWDOCDGVSZ-GOSISDBHSA-N 1 0 347.415 2.284 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496444853 468251401 /nfs/dbraw/zinc/25/14/01/468251401.db2.gz VDWVRVDEVHPFLS-ZDUSSCGKSA-N 1 0 334.376 2.082 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594196772 468508312 /nfs/dbraw/zinc/50/83/12/468508312.db2.gz MLTAXERVIGMZAY-KGLIPLIRSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC(C)C)c1 ZINC000591753721 468514262 /nfs/dbraw/zinc/51/42/62/468514262.db2.gz TULXWANQPBEPDA-INIZCTEOSA-N 1 0 348.403 2.038 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000591767553 468518509 /nfs/dbraw/zinc/51/85/09/468518509.db2.gz ZUGPKBUXMRWDJR-GXTWGEPZSA-N 1 0 326.418 2.067 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594234479 468524110 /nfs/dbraw/zinc/52/41/10/468524110.db2.gz XJHQUKMSTKJFIM-WBVHZDCISA-N 1 0 346.431 2.453 20 5 EEBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000582429913 468539933 /nfs/dbraw/zinc/53/99/33/468539933.db2.gz IXQSHNPUQMNKEL-WDEREUQCSA-N 1 0 337.351 2.051 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582462890 468542383 /nfs/dbraw/zinc/54/23/83/468542383.db2.gz YXJZBMOHRBHRQS-LLVKDONJSA-N 1 0 337.376 2.174 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000569988457 468574544 /nfs/dbraw/zinc/57/45/44/468574544.db2.gz LAPVTNWLHJJNFE-STQMWFEESA-N 1 0 346.387 2.389 20 5 EEBDRO Cc1cc(OCC(=O)NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000597588213 468609353 /nfs/dbraw/zinc/60/93/53/468609353.db2.gz HFIDXJNALIREJK-UHFFFAOYSA-N 1 0 333.388 2.027 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594515713 468613694 /nfs/dbraw/zinc/61/36/94/468613694.db2.gz PMCQPRISEWLFHX-UNJUUPHPSA-N 1 0 327.388 2.274 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628751 468639850 /nfs/dbraw/zinc/63/98/50/468639850.db2.gz GZYBYKWJPBSSHY-UHFFFAOYSA-N 1 0 343.387 2.219 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597716737 468648918 /nfs/dbraw/zinc/64/89/18/468648918.db2.gz TVHYWTRHMPWMAK-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000597717131 468649814 /nfs/dbraw/zinc/64/98/14/468649814.db2.gz ZRHVUZNCHDTPHP-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597921812 468711490 /nfs/dbraw/zinc/71/14/90/468711490.db2.gz BUHYUMOUFSKIJB-JTQLQIEISA-N 1 0 331.376 2.074 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555368 468728921 /nfs/dbraw/zinc/72/89/21/468728921.db2.gz XPYOKPZYZORPQE-STQMWFEESA-N 1 0 332.404 2.029 20 5 EEBDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000594967426 468733367 /nfs/dbraw/zinc/73/33/67/468733367.db2.gz ZCMAOUXIBRFMEK-AWEZNQCLSA-N 1 0 341.367 2.499 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000571117805 468741996 /nfs/dbraw/zinc/74/19/96/468741996.db2.gz UOVIZKKHFBDOQS-HNNXBMFYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@@H](C(=O)N1CC[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583727440 468746260 /nfs/dbraw/zinc/74/62/60/468746260.db2.gz MOACSSYFQPRZDN-TZMCWYRMSA-N 1 0 328.372 2.448 20 5 EEBDRO C[NH+](C)C1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000601116996 468747671 /nfs/dbraw/zinc/74/76/71/468747671.db2.gz UXJGDIFNEWKTPQ-UHFFFAOYSA-N 1 0 330.388 2.088 20 5 EEBDRO C[N@@H+]1CCN(CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601160791 468765048 /nfs/dbraw/zinc/76/50/48/468765048.db2.gz ZQQZEMYTUMBTLA-UHFFFAOYSA-N 1 0 343.431 2.003 20 5 EEBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601181906 468773681 /nfs/dbraw/zinc/77/36/81/468773681.db2.gz OBWVPVPCLIASNT-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1cccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598542010 468907216 /nfs/dbraw/zinc/90/72/16/468907216.db2.gz QBUKQTIHCVSWIM-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595727374 468973683 /nfs/dbraw/zinc/97/36/83/468973683.db2.gz BQCPSOAQAPYPIS-KBPBESRZSA-N 1 0 333.388 2.094 20 5 EEBDRO C[NH+](C)CCOC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610582031 469010071 /nfs/dbraw/zinc/01/00/71/469010071.db2.gz KKQBOKIAAAATQS-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000602730142 469038074 /nfs/dbraw/zinc/03/80/74/469038074.db2.gz YSRQLJAJGFDSFX-QFYYESIMSA-N 1 0 333.344 2.367 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000602795599 469081116 /nfs/dbraw/zinc/08/11/16/469081116.db2.gz BPHKLUPUFICPAI-AWEZNQCLSA-N 1 0 332.404 2.373 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000599018998 469089919 /nfs/dbraw/zinc/08/99/19/469089919.db2.gz AFHOSJWFSJGHTI-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000602829203 469103346 /nfs/dbraw/zinc/10/33/46/469103346.db2.gz RCDXGYHYZBIRLY-CQSZACIVSA-N 1 0 338.795 2.466 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@]1(O)CCCOC1)C1CC1 ZINC000593722548 469108787 /nfs/dbraw/zinc/10/87/87/469108787.db2.gz WROGFHWDZVNBGS-FUHWJXTLSA-N 1 0 334.416 2.437 20 5 EEBDRO C[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593734047 469115889 /nfs/dbraw/zinc/11/58/89/469115889.db2.gz SBMFPFJUWLFYMW-XJKSGUPXSA-N 1 0 334.420 2.007 20 5 EEBDRO CCO[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593759115 469126973 /nfs/dbraw/zinc/12/69/73/469126973.db2.gz IPOOZCGYWVOQIP-TZMCWYRMSA-N 1 0 336.392 2.039 20 5 EEBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000611257194 469211164 /nfs/dbraw/zinc/21/11/64/469211164.db2.gz BQMPMPAKQBHBAI-ZDUSSCGKSA-N 1 0 335.404 2.140 20 5 EEBDRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611409102 469243601 /nfs/dbraw/zinc/24/36/01/469243601.db2.gz NPNPBJVMGAZPPP-IINYFYTJSA-N 1 0 335.360 2.290 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596471480 469277698 /nfs/dbraw/zinc/27/76/98/469277698.db2.gz UJOUZLTXLIOQHN-OAHLLOKOSA-N 1 0 342.399 2.312 20 5 EEBDRO CCOc1cc(NC(=O)N(CC)CC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000599600206 469305274 /nfs/dbraw/zinc/30/52/74/469305274.db2.gz PTVFTTWDIRDYAX-UHFFFAOYSA-N 1 0 340.380 2.205 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599605241 469306429 /nfs/dbraw/zinc/30/64/29/469306429.db2.gz WUXRNVOSNAPAKT-CQSZACIVSA-N 1 0 336.392 2.455 20 5 EEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615878658 469333712 /nfs/dbraw/zinc/33/37/12/469333712.db2.gz FTUNTLGLNJKCDC-STQMWFEESA-N 1 0 333.388 2.057 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cnn(C)c1 ZINC000602554275 469358882 /nfs/dbraw/zinc/35/88/82/469358882.db2.gz DXZQVJCYNNOVSR-GFCCVEGCSA-N 1 0 330.392 2.043 20 5 EEBDRO COc1cc(CN[C@@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433996 469394926 /nfs/dbraw/zinc/39/49/26/469394926.db2.gz OGQKPFLULYEQPU-QWHCGFSZSA-N 1 0 345.346 2.420 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000604552314 469490576 /nfs/dbraw/zinc/49/05/76/469490576.db2.gz IKQONNPAORENOI-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000619844921 469689513 /nfs/dbraw/zinc/68/95/13/469689513.db2.gz VGHHUWSIGXYXDS-GFCCVEGCSA-N 1 0 343.449 2.145 20 5 EEBDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000609222487 469903613 /nfs/dbraw/zinc/90/36/13/469903613.db2.gz NZFVQABXIZUAAY-UHFFFAOYSA-N 1 0 349.412 2.299 20 5 EEBDRO CCC[N@@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368092 470008193 /nfs/dbraw/zinc/00/81/93/470008193.db2.gz FWEIXGJWMGQQMX-HNNXBMFYSA-N 1 0 336.367 2.204 20 5 EEBDRO Cc1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610411306 470012296 /nfs/dbraw/zinc/01/22/96/470012296.db2.gz FHUNWISSOVTHRI-UHFFFAOYSA-N 1 0 334.420 2.379 20 5 EEBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC[C@H]1O ZINC000602571281 485644746 /nfs/dbraw/zinc/64/47/46/485644746.db2.gz HITXUBSEBYAJBH-SJLPKXTDSA-N 1 0 348.447 2.489 20 5 EEBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000414192339 533835265 /nfs/dbraw/zinc/83/52/65/533835265.db2.gz SYTCZBUJIHZUIX-HNNXBMFYSA-N 1 0 349.431 2.127 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415437581 534134362 /nfs/dbraw/zinc/13/43/62/534134362.db2.gz KTCIFJWOBITYDQ-GRYCIOLGSA-N 1 0 334.376 2.113 20 5 EEBDRO CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000132210729 528228903 /nfs/dbraw/zinc/22/89/03/528228903.db2.gz GQCYWSPIFNZHST-UHFFFAOYSA-N 1 0 334.424 2.422 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266371906 534942471 /nfs/dbraw/zinc/94/24/71/534942471.db2.gz CEVRQBSUQTYUJV-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265048236 535997771 /nfs/dbraw/zinc/99/77/71/535997771.db2.gz PDLZDTBYFFQEJM-IRXDYDNUSA-N 1 0 347.415 2.109 20 5 EEBDRO CON1CCC([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000459592733 536845502 /nfs/dbraw/zinc/84/55/02/536845502.db2.gz VLOQUGUXXBXXHC-UHFFFAOYSA-N 1 0 347.375 2.102 20 5 EEBDRO COc1ccnc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000264188398 537116748 /nfs/dbraw/zinc/11/67/48/537116748.db2.gz MBIFIKUOYDXMKB-UHFFFAOYSA-N 1 0 342.399 2.363 20 5 EEBDRO CCOC1CC(O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000774489031 577400905 /nfs/dbraw/zinc/40/09/05/577400905.db2.gz UKIOXNWAMFFENI-UHFFFAOYSA-N 1 0 349.431 2.083 20 5 EEBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271559 577456136 /nfs/dbraw/zinc/45/61/36/577456136.db2.gz LXXZBVUISYVYCI-HNNXBMFYSA-N 1 0 330.340 2.489 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000765782384 577507024 /nfs/dbraw/zinc/50/70/24/577507024.db2.gz VYNBKQXFOMZGFV-OAHLLOKOSA-N 1 0 330.432 2.390 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000765931981 577509252 /nfs/dbraw/zinc/50/92/52/577509252.db2.gz XCYAZFKZJUUTAK-NWDGAFQWSA-N 1 0 339.367 2.054 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769068836 577568618 /nfs/dbraw/zinc/56/86/18/577568618.db2.gz SNHGXGKNDBXAEB-UHFFFAOYSA-N 1 0 335.335 2.361 20 5 EEBDRO Cn1ccnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028585 577589186 /nfs/dbraw/zinc/58/91/86/577589186.db2.gz GOUOSTQFJKPMLP-HOCLYGCPSA-N 1 0 330.388 2.241 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752813956 577776630 /nfs/dbraw/zinc/77/66/30/577776630.db2.gz VWBKEXNGIABNEK-KBPBESRZSA-N 1 0 348.403 2.030 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744350437 577896521 /nfs/dbraw/zinc/89/65/21/577896521.db2.gz OOYZFEUPJXUKGQ-ZDUSSCGKSA-N 1 0 330.388 2.150 20 5 EEBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000745438598 577913874 /nfs/dbraw/zinc/91/38/74/577913874.db2.gz XSSORQBLPXCOCJ-CYBMUJFWSA-N 1 0 332.360 2.320 20 5 EEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000749283520 577973975 /nfs/dbraw/zinc/97/39/75/577973975.db2.gz YXSLHEXDBNTOMA-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749675258 577979708 /nfs/dbraw/zinc/97/97/08/577979708.db2.gz XYMDOGZCCGQCRM-QGZVFWFLSA-N 1 0 343.383 2.120 20 5 EEBDRO Cc1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749957666 577984742 /nfs/dbraw/zinc/98/47/42/577984742.db2.gz ZYJYJZSVOPEIKU-CQSZACIVSA-N 1 0 344.419 2.166 20 5 EEBDRO CN(CC(F)F)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750110275 577987231 /nfs/dbraw/zinc/98/72/31/577987231.db2.gz ZZNCYILVOZWPTB-HNNXBMFYSA-N 1 0 343.374 2.290 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000750170624 577988403 /nfs/dbraw/zinc/98/84/03/577988403.db2.gz XYNUEYKNFNXTIU-UHFFFAOYSA-N 1 0 326.353 2.056 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736572703 578212478 /nfs/dbraw/zinc/21/24/78/578212478.db2.gz ZYKAOIOSZXFQDA-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO C[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824626491 608468924 /nfs/dbraw/zinc/46/89/24/608468924.db2.gz PFSCNZLPWMNJPN-JTQLQIEISA-N 1 0 325.332 2.021 20 5 EEBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020561675 675127643 /nfs/dbraw/zinc/12/76/43/675127643.db2.gz GUEFWHQPSXDZAO-SHTZXODSSA-N 1 0 343.383 2.476 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020792265 675497338 /nfs/dbraw/zinc/49/73/38/675497338.db2.gz KYRMUSITCWONMJ-HAQNSBGRSA-N 1 0 335.385 2.229 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000804683592 675523495 /nfs/dbraw/zinc/52/34/95/675523495.db2.gz OCUGLKSJAHUTAO-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891587264 676706974 /nfs/dbraw/zinc/70/69/74/676706974.db2.gz SJIOSIXWCYSAKZ-GASCZTMLSA-N 1 0 332.404 2.063 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC000891755080 676817932 /nfs/dbraw/zinc/81/79/32/676817932.db2.gz TZGGSFZHFKOZFW-GFCCVEGCSA-N 1 0 346.387 2.422 20 5 EEBDRO COc1c(O)ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000891823017 676849709 /nfs/dbraw/zinc/84/97/09/676849709.db2.gz XETPWNWZMWOFRE-CQSZACIVSA-N 1 0 335.404 2.369 20 5 EEBDRO C[NH+](C)CCn1cc(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])cn1 ZINC000892135940 676907706 /nfs/dbraw/zinc/90/77/06/676907706.db2.gz HFHOUTXHTNCDMC-UHFFFAOYSA-N 1 0 344.350 2.206 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001022644617 676909724 /nfs/dbraw/zinc/90/97/24/676909724.db2.gz SKDYXXYPKSNYTM-BETUJISGSA-N 1 0 349.435 2.036 20 5 EEBDRO C[C@@H]1CCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041492 677766332 /nfs/dbraw/zinc/76/63/32/677766332.db2.gz BNUJMNDXSBQHMH-CYBMUJFWSA-N 1 0 347.419 2.363 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC000983297211 682204470 /nfs/dbraw/zinc/20/44/70/682204470.db2.gz ZQAVQTYWWLFSQK-SAZUREKKSA-N 1 0 345.399 2.274 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000892687324 682591695 /nfs/dbraw/zinc/59/16/95/682591695.db2.gz JOFWGDPMMNKMJR-ZDUSSCGKSA-N 1 0 330.340 2.402 20 5 EEBDRO CN(c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892768112 683020802 /nfs/dbraw/zinc/02/08/02/683020802.db2.gz OWKCVXGMPSPFIJ-OAHLLOKOSA-N 1 0 329.404 2.429 20 5 EEBDRO CC(F)(F)C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989848411 692384709 /nfs/dbraw/zinc/38/47/09/692384709.db2.gz XBPYMXUTWJXYIS-UHFFFAOYSA-N 1 0 333.360 2.392 20 5 EEBDRO O=C(c1ccc[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989928176 692489087 /nfs/dbraw/zinc/48/90/87/692489087.db2.gz PVXXYXDSVQVUCK-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@H]3C[NH2+]CC[C@H]3F)nc2c1 ZINC001168227840 1187398067 /nfs/dbraw/zinc/39/80/67/1187398067.db2.gz YMXXGZGFIDXXSW-KCJUWKMLSA-N 1 0 325.731 2.303 20 5 EEBDRO Cc1cc(F)ccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644882 1196466266 /nfs/dbraw/zinc/46/62/66/1196466266.db2.gz MYOODQCZYKVWPS-QBPKDAKJSA-N 1 0 349.406 2.316 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000825748135 1198964781 /nfs/dbraw/zinc/96/47/81/1198964781.db2.gz MWBXBKDNXPZUKR-UHFFFAOYSA-N 1 0 347.415 2.375 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876568401 1199673765 /nfs/dbraw/zinc/67/37/65/1199673765.db2.gz MAYZNIXGNPFRKD-RNCFNFMXSA-N 1 0 329.759 2.154 20 5 EEBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839562 1199773461 /nfs/dbraw/zinc/77/34/61/1199773461.db2.gz XIRQTUDLDQZJFS-UKRRQHHQSA-N 1 0 344.371 2.115 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000877095960 1199861605 /nfs/dbraw/zinc/86/16/05/1199861605.db2.gz WIHDCCBFRJQSNJ-MJBXVCDLSA-N 1 0 348.447 2.496 20 5 EEBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000877096414 1199861741 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BMUWZUOFVCWTHL-SNVBAGLBSA-N 1 0 328.332 2.153 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(C4CC[NH2+]CC4)no3)n2)cc1 ZINC000843138508 1315853144 /nfs/dbraw/zinc/85/31/44/1315853144.db2.gz WHOQHCDIJPFQSG-UHFFFAOYSA-N 1 0 340.343 2.298 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843310069 1315888342 /nfs/dbraw/zinc/88/83/42/1315888342.db2.gz JZBPBMGLGNPPAB-UHFFFAOYSA-N 1 0 348.172 2.226 20 5 EEBDRO O=C(Cc1ccc(F)cc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149610328 1315998386 /nfs/dbraw/zinc/99/83/86/1315998386.db2.gz NYRGVDRAVJVSCQ-UHFFFAOYSA-N 1 0 337.376 2.244 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)n1C ZINC001150492343 1316280185 /nfs/dbraw/zinc/28/01/85/1316280185.db2.gz YVLDELVBJFNVDE-UHFFFAOYSA-N 1 0 336.417 2.131 20 5 EEBDRO O=C(COc1cccc(F)c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150902762 1316405112 /nfs/dbraw/zinc/40/51/12/1316405112.db2.gz LENCTSWHTNQGIN-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO CN(C)c1ccccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153414151 1316825638 /nfs/dbraw/zinc/82/56/38/1316825638.db2.gz OEVBYUHFEUKACI-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155230020 1317513229 /nfs/dbraw/zinc/51/32/29/1317513229.db2.gz HADXVVDQUXNRNR-CYBMUJFWSA-N 1 0 349.391 2.014 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[NH2+]C[C@@H]2c2cccs2)c1 ZINC001156111794 1317882005 /nfs/dbraw/zinc/88/20/05/1317882005.db2.gz UQDAYVIAWLCJNB-SNVBAGLBSA-N 1 0 340.792 2.094 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001254565465 1318122151 /nfs/dbraw/zinc/12/21/51/1318122151.db2.gz PJZJRSZPAIYJAE-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001254560758 1318123014 /nfs/dbraw/zinc/12/30/14/1318123014.db2.gz XOXZOQUEBSYPAX-LBPRGKRZSA-N 1 0 326.418 2.035 20 5 EEBDRO CCc1nnc2ccc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cn21 ZINC001254588513 1318136006 /nfs/dbraw/zinc/13/60/06/1318136006.db2.gz ZYNGXTOEKIVLSZ-HNNXBMFYSA-N 1 0 337.383 2.457 20 5 EEBDRO CN1CC2(CC1=O)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254610602 1318143373 /nfs/dbraw/zinc/14/33/73/1318143373.db2.gz LPZWHUIJWHHURB-INIZCTEOSA-N 1 0 329.400 2.006 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)cc2C1 ZINC001157985051 1318959538 /nfs/dbraw/zinc/95/95/38/1318959538.db2.gz NRWBLFLBLBFNLR-CYBMUJFWSA-N 1 0 336.355 2.054 20 5 EEBDRO CCOC(=O)C1(Nc2cc(Cl)cc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC001158572243 1319314590 /nfs/dbraw/zinc/31/45/90/1319314590.db2.gz DWQKHZVAGCXSDJ-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO CC1(C)CC[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001162123070 1320755232 /nfs/dbraw/zinc/75/52/32/1320755232.db2.gz LMGPRKRTLAHXEV-LBPRGKRZSA-N 1 0 334.424 2.033 20 5 EEBDRO Cc1nc(Cl)nc(Nc2ccc([C@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163050242 1321023233 /nfs/dbraw/zinc/02/32/33/1321023233.db2.gz KSMFPDQYNGKXBO-SNVBAGLBSA-N 1 0 337.767 2.125 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)cc1 ZINC001163051804 1321023872 /nfs/dbraw/zinc/02/38/72/1321023872.db2.gz CIUULDUSXDLWBF-NSHDSACASA-N 1 0 327.344 2.249 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163101487 1321036479 /nfs/dbraw/zinc/03/64/79/1321036479.db2.gz QXIRDSGYZNFOKN-ZDSQKVDBSA-N 1 0 331.294 2.260 20 5 EEBDRO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001163127040 1321043866 /nfs/dbraw/zinc/04/38/66/1321043866.db2.gz XOFDLWDWKPCYHX-UHFFFAOYSA-N 1 0 328.804 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c2ccncc21 ZINC001163172105 1321058045 /nfs/dbraw/zinc/05/80/45/1321058045.db2.gz QMVNXCRGGMMVGJ-PSTGCABASA-N 1 0 328.372 2.179 20 5 EEBDRO [NH3+]Cc1ccc(-c2cn(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])cn2)cc1 ZINC001163218922 1321070255 /nfs/dbraw/zinc/07/02/55/1321070255.db2.gz UWRBOJSCCYPVEN-UHFFFAOYSA-N 1 0 345.746 2.193 20 5 EEBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163238827 1321074911 /nfs/dbraw/zinc/07/49/11/1321074911.db2.gz OBXIHFWEGFVXQC-NSHDSACASA-N 1 0 330.369 2.156 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)s1 ZINC001163280950 1321087047 /nfs/dbraw/zinc/08/70/47/1321087047.db2.gz VHRAIWXFXTXZNK-ZUZCIYMTSA-N 1 0 349.416 2.170 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163312917 1321094490 /nfs/dbraw/zinc/09/44/90/1321094490.db2.gz WMXHIVFMMGGPMC-HWPZZCPQSA-N 1 0 347.350 2.000 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccn[nH]1 ZINC001163522598 1321147893 /nfs/dbraw/zinc/14/78/93/1321147893.db2.gz BIOXAAXZPFNJMP-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165081558 1321452090 /nfs/dbraw/zinc/45/20/90/1321452090.db2.gz LKFJZLLAAHZWAL-WBVHZDCISA-N 1 0 339.399 2.404 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001165147093 1321465055 /nfs/dbraw/zinc/46/50/55/1321465055.db2.gz HUKMIHZSHWZSQL-AOOOYVTPSA-N 1 0 333.779 2.189 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)n2ncc3c2CC[NH2+]C3)nc1Cl ZINC001165218019 1321475829 /nfs/dbraw/zinc/47/58/29/1321475829.db2.gz FPYCNRIZDLGIQL-UHFFFAOYSA-N 1 0 329.694 2.083 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165325134 1321501083 /nfs/dbraw/zinc/50/10/83/1321501083.db2.gz XEUMHYLOQKFDPC-ZDUSSCGKSA-N 1 0 335.408 2.060 20 5 EEBDRO COc1cc(C)nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC001165352477 1321506745 /nfs/dbraw/zinc/50/67/45/1321506745.db2.gz ZMNJRTVRYWWVDS-LSDHHAIUSA-N 1 0 340.383 2.382 20 5 EEBDRO COCc1nn(-c2nccc3ccc([N+](=O)[O-])cc32)c2c1C[NH2+]C2 ZINC001165633342 1321556468 /nfs/dbraw/zinc/55/64/68/1321556468.db2.gz HTFPGFPZVWRDTG-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO COC(=O)C1(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001166947893 1321822947 /nfs/dbraw/zinc/82/29/47/1321822947.db2.gz UBVZBKDGMUPQSS-UHFFFAOYSA-N 1 0 347.293 2.321 20 5 EEBDRO [NH3+][C@H]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1(F)F ZINC001166962163 1321826490 /nfs/dbraw/zinc/82/64/90/1321826490.db2.gz SWBWDBPQHURIER-NSHDSACASA-N 1 0 343.721 2.364 20 5 EEBDRO COC(=O)c1cnc(NCCCN(C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001307194481 1331515949 /nfs/dbraw/zinc/51/59/49/1331515949.db2.gz SOUZVUUZEYOPRD-UHFFFAOYSA-N 1 0 345.359 2.110 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC001307198963 1331516731 /nfs/dbraw/zinc/51/67/31/1331516731.db2.gz URDGPZFQCPXKSL-OAHLLOKOSA-N 1 0 342.403 2.356 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC001308356159 1331585820 /nfs/dbraw/zinc/58/58/20/1331585820.db2.gz HXSVHFYNKRYQSI-HNNXBMFYSA-N 1 0 345.374 2.476 20 5 EEBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308862174 1331606830 /nfs/dbraw/zinc/60/68/30/1331606830.db2.gz SZKTZIZEBVQHFM-KYOSRNDESA-N 1 0 349.387 2.392 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001318413643 1332528716 /nfs/dbraw/zinc/52/87/16/1332528716.db2.gz NETSRQNTAKOVIZ-DZGCQCFKSA-N 1 0 339.367 2.102 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001318870737 1332614840 /nfs/dbraw/zinc/61/48/40/1332614840.db2.gz PTTSZUUFFCFJTI-AWEZNQCLSA-N 1 0 346.431 2.440 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001319098614 1332648981 /nfs/dbraw/zinc/64/89/81/1332648981.db2.gz UFBZQMRQGCQJAR-UHFFFAOYSA-N 1 0 332.404 2.493 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001323914393 1333572051 /nfs/dbraw/zinc/57/20/51/1333572051.db2.gz HLTHDNIPLOUWFZ-ZDUSSCGKSA-N 1 0 343.387 2.442 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC001325407605 1333880751 /nfs/dbraw/zinc/88/07/51/1333880751.db2.gz UUTRUOYKBWOBAN-UHFFFAOYSA-N 1 0 327.388 2.406 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001328076808 1334390132 /nfs/dbraw/zinc/39/01/32/1334390132.db2.gz BTWASZZKWDAMSC-RDJZCZTQSA-N 1 0 349.431 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c(-c2nn[nH]n2)c1 ZINC001609602431 1352031827 /nfs/dbraw/zinc/03/18/27/1352031827.db2.gz ZBAXAXFBUKANJD-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1 ZINC001336762284 1336591398 /nfs/dbraw/zinc/59/13/98/1336591398.db2.gz BXMUJFQQPXAGTG-HZPDHXFCSA-N 1 0 338.310 2.230 20 5 EEBDRO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC001336909089 1336614855 /nfs/dbraw/zinc/61/48/55/1336614855.db2.gz XBYWAVRONXDTHR-DOMZBBRYSA-N 1 0 332.404 2.282 20 5 EEBDRO Cc1cc(F)cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001337783973 1336736730 /nfs/dbraw/zinc/73/67/30/1336736730.db2.gz XULCCPQGYMWVLB-UHFFFAOYSA-N 1 0 344.346 2.400 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC001340208421 1337137509 /nfs/dbraw/zinc/13/75/09/1337137509.db2.gz BVEOSHFEUOWWGG-JTQLQIEISA-N 1 0 341.209 2.427 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001343547540 1337336578 /nfs/dbraw/zinc/33/65/78/1337336578.db2.gz LHIGFBFBDRHMAZ-OAHLLOKOSA-N 1 0 332.404 2.283 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000848033007 1338461524 /nfs/dbraw/zinc/46/15/24/1338461524.db2.gz IFOJDWOGDFMXLU-UHFFFAOYSA-N 1 0 343.786 2.482 20 5 EEBDRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001576008769 1343942191 /nfs/dbraw/zinc/94/21/91/1343942191.db2.gz SYVPKWIYNHBQIU-PXAZEXFGSA-N 1 0 328.372 2.084 20 5 EEBDRO C[C@@H](CNC(=O)N(C)CC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001576016772 1343945939 /nfs/dbraw/zinc/94/59/39/1343945939.db2.gz CFAWMRNMUQBHAR-ZDUSSCGKSA-N 1 0 334.420 2.339 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001579576922 1344396592 /nfs/dbraw/zinc/39/65/92/1344396592.db2.gz BYCSPERZGYQBHW-UGSOOPFHSA-N 1 0 347.415 2.113 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC001579642743 1344402244 /nfs/dbraw/zinc/40/22/44/1344402244.db2.gz TYQXIVIUHNAZJE-NSHDSACASA-N 1 0 327.344 2.022 20 5 EEBDRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC001580352480 1344512416 /nfs/dbraw/zinc/51/24/16/1344512416.db2.gz NXEKDUGAWPTSFR-UHFFFAOYSA-N 1 0 333.373 2.100 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001580493613 1344526149 /nfs/dbraw/zinc/52/61/49/1344526149.db2.gz ISMJOUNFZDKYMY-VUUYWXRKSA-N 1 0 339.355 2.114 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589134566 1348963310 /nfs/dbraw/zinc/96/33/10/1348963310.db2.gz DVGUXQHJBUKFKZ-SECBINFHSA-N 1 0 349.370 2.199 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590624274 1349377754 /nfs/dbraw/zinc/37/77/54/1349377754.db2.gz HIYDHHPVLFPPFB-SECBINFHSA-N 1 0 339.425 2.369 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCCCC[NH+]1CCCC1 ZINC001593480953 1349812814 /nfs/dbraw/zinc/81/28/14/1349812814.db2.gz NUYFYYDRELZDRY-UHFFFAOYSA-N 1 0 345.407 2.453 20 5 EEBDRO CC(C)(C)[NH+]1CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001603077714 1350634922 /nfs/dbraw/zinc/63/49/22/1350634922.db2.gz HJTJGHCGBWKIIL-UHFFFAOYSA-N 1 0 345.407 2.450 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603897181 1350798293 /nfs/dbraw/zinc/79/82/93/1350798293.db2.gz CXNYTTGRYYUUCF-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NC1CC([NH+]2CCCCC2)C1 ZINC001607088552 1351413537 /nfs/dbraw/zinc/41/35/37/1351413537.db2.gz RXJCRBFDKPVTEQ-UHFFFAOYSA-N 1 0 349.420 2.265 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095357094 1369699145 /nfs/dbraw/zinc/69/91/45/1369699145.db2.gz DGYVALPTNJZDCL-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO CCOc1cc(NCCCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000900358294 1369922428 /nfs/dbraw/zinc/92/24/28/1369922428.db2.gz PWCPIOGPDANXGE-UHFFFAOYSA-N 1 0 336.436 2.481 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000831533872 1372378864 /nfs/dbraw/zinc/37/88/64/1372378864.db2.gz LEVODIGUNMABKJ-IAQYHMDHSA-N 1 0 339.367 2.419 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000839776897 1372917199 /nfs/dbraw/zinc/91/71/99/1372917199.db2.gz NQMCIZAZKRWPIF-LSDHHAIUSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000849194555 1373248366 /nfs/dbraw/zinc/24/83/66/1373248366.db2.gz SCJQNQBIYWXJLB-UHFFFAOYSA-N 1 0 340.295 2.148 20 5 EEBDRO C[N@H+](CCNC(=O)CCc1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753055116 1406645143 /nfs/dbraw/zinc/64/51/43/1406645143.db2.gz CNHOOTSXLJPPPO-UHFFFAOYSA-N 1 0 342.399 2.171 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC001576300225 1403564284 /nfs/dbraw/zinc/56/42/84/1403564284.db2.gz JFVDXOFZETXIPP-JTQLQIEISA-N 1 0 347.400 2.055 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001576469474 1403575900 /nfs/dbraw/zinc/57/59/00/1403575900.db2.gz PSEWPEWQQXWAGD-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729794 720352149 /nfs/dbraw/zinc/35/21/49/720352149.db2.gz YCYJTGZAIMCGOP-HUUCEWRRSA-N 1 0 325.372 2.238 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000180400010 774779561 /nfs/dbraw/zinc/77/95/61/774779561.db2.gz USZXSVHIUNGIJR-LLVKDONJSA-N 1 0 332.316 2.016 20 5 EEBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CC[NH3+] ZINC000846693522 790416269 /nfs/dbraw/zinc/41/62/69/790416269.db2.gz IKCAEKVQAREVMU-BXUZGUMPSA-N 1 0 339.367 2.089 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000906351965 783840945 /nfs/dbraw/zinc/84/09/45/783840945.db2.gz SSHQNNGRUWBFLA-CYBMUJFWSA-N 1 0 335.404 2.342 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818006988 785161511 /nfs/dbraw/zinc/16/15/11/785161511.db2.gz UIURHZSWOVSUCC-GFCCVEGCSA-N 1 0 331.775 2.419 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000818527422 785271521 /nfs/dbraw/zinc/27/15/21/785271521.db2.gz AFHRXDIYCTTYGW-MNOVXSKESA-N 1 0 341.770 2.283 20 5 EEBDRO C[C@@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818954150 785341695 /nfs/dbraw/zinc/34/16/95/785341695.db2.gz SQHGPHNBPJLYBD-LBPRGKRZSA-N 1 0 338.385 2.182 20 5 EEBDRO C[C@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818954148 785341874 /nfs/dbraw/zinc/34/18/74/785341874.db2.gz SQHGPHNBPJLYBD-GFCCVEGCSA-N 1 0 338.385 2.182 20 5 EEBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000819129201 785435283 /nfs/dbraw/zinc/43/52/83/785435283.db2.gz DCBDHWIFRQGIFP-MRXNPFEDSA-N 1 0 330.388 2.423 20 5 EEBDRO COC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819200076 785459576 /nfs/dbraw/zinc/45/95/76/785459576.db2.gz IZVGNYQNLWNFSE-QGZVFWFLSA-N 1 0 344.367 2.247 20 5 EEBDRO COCC[C@H](Cc1ccco1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819222205 785477039 /nfs/dbraw/zinc/47/70/39/785477039.db2.gz UJHFIWFVIBDUHO-PBHICJAKSA-N 1 0 334.372 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)nc1 ZINC000822862500 787442214 /nfs/dbraw/zinc/44/22/14/787442214.db2.gz JKFAHEWKOQBITK-UONOGXRCSA-N 1 0 329.360 2.067 20 5 EEBDRO CC(C)C[C@H]([NH3+])CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912002024 787886587 /nfs/dbraw/zinc/88/65/87/787886587.db2.gz ZAGFOVPPMVUCDB-AWEZNQCLSA-N 1 0 334.420 2.007 20 5 EEBDRO CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000823939198 787994189 /nfs/dbraw/zinc/99/41/89/787994189.db2.gz RPDAKCDENXBLOV-FUNVUKJBSA-N 1 0 333.392 2.266 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC[N@H+]1CCCO ZINC000824559407 788215306 /nfs/dbraw/zinc/21/53/06/788215306.db2.gz SOQWVFYRNDVKTR-AWEZNQCLSA-N 1 0 327.812 2.185 20 5 EEBDRO Cc1nocc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996942309 788234548 /nfs/dbraw/zinc/23/45/48/788234548.db2.gz HXKPCEIIXRDIJJ-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CNc1nccc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912808460 788367539 /nfs/dbraw/zinc/36/75/39/788367539.db2.gz ZAWHTMKPMLMYOS-JSGCOSHPSA-N 1 0 349.435 2.224 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000923304551 789345333 /nfs/dbraw/zinc/34/53/33/789345333.db2.gz BFBGQQUOUXHBQH-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923439427 789563409 /nfs/dbraw/zinc/56/34/09/789563409.db2.gz COFOQCVVYHUVFZ-WOPDTQHZSA-N 1 0 331.376 2.216 20 5 EEBDRO O=C(CC[NH2+][C@@H](CO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129722612 789709306 /nfs/dbraw/zinc/70/93/06/789709306.db2.gz WZMMTHLLVYYRMP-INIZCTEOSA-N 1 0 347.346 2.386 20 5 EEBDRO Cc1cnc(NCc2ccccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001171286592 791514578 /nfs/dbraw/zinc/51/45/78/791514578.db2.gz YCVUNTPBLFTGJP-UHFFFAOYSA-N 1 0 327.388 2.320 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171327206 792286198 /nfs/dbraw/zinc/28/61/98/792286198.db2.gz KAFQWWYZFIPEEI-UHFFFAOYSA-N 1 0 340.339 2.487 20 5 EEBDRO CCOCCOCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929749462 794076406 /nfs/dbraw/zinc/07/64/06/794076406.db2.gz OFSJPLJRNWAZQG-UHFFFAOYSA-N 1 0 338.404 2.491 20 5 EEBDRO C[NH+](C)C1(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC001094007473 795855291 /nfs/dbraw/zinc/85/52/91/795855291.db2.gz QVYZOMLJCFJDEL-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CCc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001000672731 796126070 /nfs/dbraw/zinc/12/60/70/796126070.db2.gz ABYPDIRRIVSDMI-QZTJIDSGSA-N 1 0 343.427 2.163 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094509333 796336919 /nfs/dbraw/zinc/33/69/19/796336919.db2.gz LSHKVETYIUECKU-UHFFFAOYSA-N 1 0 340.399 2.384 20 5 EEBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911611 797170119 /nfs/dbraw/zinc/17/01/19/797170119.db2.gz CYPFHGHKGSMEBY-IAGOWNOFSA-N 1 0 331.416 2.443 20 5 EEBDRO CC(C)(CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007569 797194785 /nfs/dbraw/zinc/19/47/85/797194785.db2.gz SSRAJPIJLBUIMK-UHFFFAOYSA-N 1 0 329.347 2.202 20 5 EEBDRO CC1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)COC1 ZINC001173011813 797195815 /nfs/dbraw/zinc/19/58/15/797195815.db2.gz KKQFUZYFIMIIKS-UHFFFAOYSA-N 1 0 327.331 2.220 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2(C)OCCO2)c1F ZINC001173178763 797277743 /nfs/dbraw/zinc/27/77/43/797277743.db2.gz LZDHOMDKHNHPKE-LLVKDONJSA-N 1 0 342.367 2.416 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCCNC(C)=O)c1F ZINC001173181516 797279699 /nfs/dbraw/zinc/27/96/99/797279699.db2.gz FFHJZLUYQBQZDD-LLVKDONJSA-N 1 0 341.383 2.179 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001173234125 797312047 /nfs/dbraw/zinc/31/20/47/797312047.db2.gz NFCDHJBVQVHWND-BVGQSLNGSA-N 1 0 330.384 2.210 20 5 EEBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925430282 797753150 /nfs/dbraw/zinc/75/31/50/797753150.db2.gz LITJFMGQWQTGJG-HOCLYGCPSA-N 1 0 332.404 2.188 20 5 EEBDRO CNC(=O)COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000917137911 798113191 /nfs/dbraw/zinc/11/31/91/798113191.db2.gz BNIJVQYWJLRYOH-UHFFFAOYSA-N 1 0 343.383 2.318 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC001086028582 801964851 /nfs/dbraw/zinc/96/48/51/801964851.db2.gz UBUVUKBCSKEEPT-OTVXOJSOSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccns1 ZINC001086379083 802860539 /nfs/dbraw/zinc/86/05/39/802860539.db2.gz UHSTVBMEZYVBAV-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964640 803552265 /nfs/dbraw/zinc/55/22/65/803552265.db2.gz UTQNYFCUTFSYHH-MGPQQGTHSA-N 1 0 327.425 2.278 20 5 EEBDRO COc1ccccc1Cn1cncc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997432 803563541 /nfs/dbraw/zinc/56/35/41/803563541.db2.gz ZILQEXLDPWNPAV-ZBFHGGJFSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010124 803570737 /nfs/dbraw/zinc/57/07/37/803570737.db2.gz BJNSAHSDLZKJCM-APIJFGDWSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013967 803571231 /nfs/dbraw/zinc/57/12/31/803571231.db2.gz WZQIQYRGXPDCHN-RQJABVFESA-N 1 0 325.409 2.125 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169036467 803580077 /nfs/dbraw/zinc/58/00/77/803580077.db2.gz OPMUKKRTJOYEBY-XDQVBPFNSA-N 1 0 345.415 2.369 20 5 EEBDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[C@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169020105 803588013 /nfs/dbraw/zinc/58/80/13/803588013.db2.gz IGMXJVXTQYWZJV-JARUQAPTSA-N 1 0 336.392 2.118 20 5 EEBDRO O=C1CCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001169020321 803588020 /nfs/dbraw/zinc/58/80/20/803588020.db2.gz LBBKPQHEROJFKQ-JKSUJKDBSA-N 1 0 335.448 2.299 20 5 EEBDRO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169053144 803595854 /nfs/dbraw/zinc/59/58/54/803595854.db2.gz HRCQYQVEMLDVQH-YSVLISHTSA-N 1 0 347.415 2.074 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC001170299222 809870326 /nfs/dbraw/zinc/87/03/26/809870326.db2.gz SRXRYPXPOLJEBH-LBPRGKRZSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170329345 809894149 /nfs/dbraw/zinc/89/41/49/809894149.db2.gz OYIKHCLHTPUEEA-DGCLKSJQSA-N 1 0 344.358 2.484 20 5 EEBDRO [NH3+]CCOCCOCCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170505816 811817835 /nfs/dbraw/zinc/81/78/35/811817835.db2.gz SYULTKTYBVUWCS-UHFFFAOYSA-N 1 0 346.387 2.061 20 5 EEBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170511174 811947429 /nfs/dbraw/zinc/94/74/29/811947429.db2.gz LFLSJOGBHGECIQ-UHFFFAOYSA-N 1 0 337.298 2.017 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001517388988 1119032915 /nfs/dbraw/zinc/03/29/15/1119032915.db2.gz CFENIANFRDCTPB-HZSPNIEDSA-N 1 0 338.456 2.191 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178476787 232186174 /nfs/dbraw/zinc/18/61/74/232186174.db2.gz DCABYWQIFLPBJU-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO C[NH+]1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000039956337 202165561 /nfs/dbraw/zinc/16/55/61/202165561.db2.gz ZCSNUABGFHRQGG-UHFFFAOYSA-N 1 0 343.225 2.017 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186695671 235985579 /nfs/dbraw/zinc/98/55/79/235985579.db2.gz ICXNLRVWFNHBMV-PRHODGIISA-N 1 0 342.193 2.085 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858810 201167804 /nfs/dbraw/zinc/16/78/04/201167804.db2.gz UYFHXIDAEVHFRG-AWEZNQCLSA-N 1 0 337.395 2.278 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000286024986 201332883 /nfs/dbraw/zinc/33/28/83/201332883.db2.gz GBCGZYVSUQGETG-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO CCOC[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081519899 201355923 /nfs/dbraw/zinc/35/59/23/201355923.db2.gz MATNKSMIYHJTBC-XJKSGUPXSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427137092 241380942 /nfs/dbraw/zinc/38/09/42/241380942.db2.gz QXVQLFNXPQNTRN-GWCFXTLKSA-N 1 0 327.331 2.380 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCNc2ccccn2)n1 ZINC000447546806 242286527 /nfs/dbraw/zinc/28/65/27/242286527.db2.gz YZMUTTCRRWZNIB-KBPBESRZSA-N 1 0 330.392 2.372 20 5 EEBDRO C[C@@H](CC[NH+](C)C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801957 242317263 /nfs/dbraw/zinc/31/72/63/242317263.db2.gz GCZCRSRTABXADZ-AWEZNQCLSA-N 1 0 336.436 2.179 20 5 EEBDRO C[C@H]1C[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813711 242320413 /nfs/dbraw/zinc/32/04/13/242320413.db2.gz XELNHXFREZRNCO-HOCLYGCPSA-N 1 0 348.447 2.322 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449714162 242612985 /nfs/dbraw/zinc/61/29/85/242612985.db2.gz ZUBXUPHWPFXGAG-OCCSQVGLSA-N 1 0 332.404 2.052 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1SC ZINC000449717069 242613072 /nfs/dbraw/zinc/61/30/72/242613072.db2.gz MLRANXYGVQXXCW-ZJUUUORDSA-N 1 0 339.417 2.183 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451598222 243171993 /nfs/dbraw/zinc/17/19/93/243171993.db2.gz DVDCMADOJSBSFA-CRAIPNDOSA-N 1 0 347.415 2.228 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000453367164 243442089 /nfs/dbraw/zinc/44/20/89/243442089.db2.gz XGBFVHQLJDHWOU-FGTMMUONSA-N 1 0 345.443 2.369 20 5 EEBDRO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075745172 203322115 /nfs/dbraw/zinc/32/21/15/203322115.db2.gz RMDHBJIHDZTSGC-UONOGXRCSA-N 1 0 336.417 2.359 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1SC ZINC000262887623 245234103 /nfs/dbraw/zinc/23/41/03/245234103.db2.gz OEBNZIXMMRWMMW-ZJUUUORDSA-N 1 0 339.417 2.196 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264201231 246174942 /nfs/dbraw/zinc/17/49/42/246174942.db2.gz DQVQCZNLIPQFSV-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000265128134 247229206 /nfs/dbraw/zinc/22/92/06/247229206.db2.gz MAMSAOBWOJZLQU-JKSUJKDBSA-N 1 0 333.388 2.485 20 5 EEBDRO CCOCC[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000266417008 248290499 /nfs/dbraw/zinc/29/04/99/248290499.db2.gz RJYUPUPEYFZQMW-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000266445727 248304451 /nfs/dbraw/zinc/30/44/51/248304451.db2.gz WRPDUSWQEQRPQR-MNOVXSKESA-N 1 0 345.346 2.088 20 5 EEBDRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266496541 248331517 /nfs/dbraw/zinc/33/15/17/248331517.db2.gz WHMFBXHQPBHGJZ-NSHDSACASA-N 1 0 344.824 2.389 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000344935275 284726651 /nfs/dbraw/zinc/72/66/51/284726651.db2.gz LXZFKNDDZAKYLV-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173989127 206976042 /nfs/dbraw/zinc/97/60/42/206976042.db2.gz DLZCXVPWLYKKOQ-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000177444745 207337497 /nfs/dbraw/zinc/33/74/97/207337497.db2.gz QHMSKGACBGTGIH-QGZVFWFLSA-N 1 0 349.387 2.117 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCN(c3cnccn3)CC2)ccc1Cl ZINC000153406170 224099218 /nfs/dbraw/zinc/09/92/18/224099218.db2.gz NNRNOVLDTPUJIW-UHFFFAOYSA-N 1 0 333.779 2.360 20 5 EEBDRO CC[N@H+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000087087257 255753995 /nfs/dbraw/zinc/75/39/95/255753995.db2.gz NQNBJWVZCZXUHA-UHFFFAOYSA-N 1 0 334.420 2.393 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000270474916 256138807 /nfs/dbraw/zinc/13/88/07/256138807.db2.gz MLMOXJWESQPERB-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO CNC(=O)c1ccc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000273553722 256306444 /nfs/dbraw/zinc/30/64/44/256306444.db2.gz ZCMIEGCLZSTFGQ-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273557966 256306754 /nfs/dbraw/zinc/30/67/54/256306754.db2.gz WQESHYPMZJAMSK-JKSUJKDBSA-N 1 0 349.456 2.176 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000275821904 256382301 /nfs/dbraw/zinc/38/23/01/256382301.db2.gz NBQBYKVYORQVBU-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000119674821 221373834 /nfs/dbraw/zinc/37/38/34/221373834.db2.gz DVQDDORGBYFJOK-OAHLLOKOSA-N 1 0 347.415 2.420 20 5 EEBDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000416049260 533665771 /nfs/dbraw/zinc/66/57/71/533665771.db2.gz QYGVSCQJKNNZIA-KWQFWETISA-N 1 0 334.298 2.235 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000173336358 291992650 /nfs/dbraw/zinc/99/26/50/291992650.db2.gz XAKCGKBDEOIATN-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1C ZINC000236722138 291992475 /nfs/dbraw/zinc/99/24/75/291992475.db2.gz ZENMOJYUTARUII-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000349810249 292087527 /nfs/dbraw/zinc/08/75/27/292087527.db2.gz LYJPOMMAPSAINQ-CYBMUJFWSA-N 1 0 343.449 2.219 20 5 EEBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000173868575 152204286 /nfs/dbraw/zinc/20/42/86/152204286.db2.gz VEGCUGZSZHOYDN-OAHLLOKOSA-N 1 0 348.447 2.268 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000164067802 286381346 /nfs/dbraw/zinc/38/13/46/286381346.db2.gz QPHKCFWDULSQKY-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000305460159 160516731 /nfs/dbraw/zinc/51/67/31/160516731.db2.gz VGYGZXOXCSXRPA-MLGOLLRUSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000071804729 159036554 /nfs/dbraw/zinc/03/65/54/159036554.db2.gz WAGYEYBDURSLCQ-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009707 159191447 /nfs/dbraw/zinc/19/14/47/159191447.db2.gz YXIJOKXQNRDVKK-INIZCTEOSA-N 1 0 333.388 2.343 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1O ZINC000093534400 159236288 /nfs/dbraw/zinc/23/62/88/159236288.db2.gz DMCDCAWKYFFUGM-CYBMUJFWSA-N 1 0 344.371 2.390 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248463604 160347836 /nfs/dbraw/zinc/34/78/36/160347836.db2.gz QRQTWBDOWBYIEV-CZUORRHYSA-N 1 0 340.445 2.408 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345143 160745824 /nfs/dbraw/zinc/74/58/24/160745824.db2.gz RZMSQGYYJZBTOJ-NEPJUHHUSA-N 1 0 335.335 2.219 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000341211754 160974550 /nfs/dbraw/zinc/97/45/50/160974550.db2.gz PMFJDJOJEREHAB-SJLPKXTDSA-N 1 0 346.383 2.048 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851089 161095782 /nfs/dbraw/zinc/09/57/82/161095782.db2.gz IGONZARNHCXYQG-WFASDCNBSA-N 1 0 331.416 2.471 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000345980421 161347467 /nfs/dbraw/zinc/34/74/67/161347467.db2.gz KSCFRBQJQRAPMK-UONOGXRCSA-N 1 0 344.415 2.491 20 5 EEBDRO C[NH+](C)CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000345999306 161349102 /nfs/dbraw/zinc/34/91/02/161349102.db2.gz IENZRZMMFUIJQN-UHFFFAOYSA-N 1 0 337.401 2.118 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000352622149 162215020 /nfs/dbraw/zinc/21/50/20/162215020.db2.gz XXRPDWPLGYEPMQ-OAHLLOKOSA-N 1 0 335.404 2.373 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352675834 162240240 /nfs/dbraw/zinc/24/02/40/162240240.db2.gz FYCDWXLJGNRCLS-OORQEUNZSA-N 1 0 328.372 2.326 20 5 EEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCOC2)c1 ZINC000352836565 162307124 /nfs/dbraw/zinc/30/71/24/162307124.db2.gz MTRHUNNTXMLHBA-SNVBAGLBSA-N 1 0 348.140 2.078 20 5 EEBDRO COc1cc(C[NH2+]CC2(O)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352896309 162337046 /nfs/dbraw/zinc/33/70/46/162337046.db2.gz AQWVBDXWDGVYDU-UHFFFAOYSA-N 1 0 346.330 2.252 20 5 EEBDRO COc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000355371989 163167045 /nfs/dbraw/zinc/16/70/45/163167045.db2.gz PYIMHEIDBMEQMH-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000359037571 164042959 /nfs/dbraw/zinc/04/29/59/164042959.db2.gz FYPKIHSHDBQBDT-HNNXBMFYSA-N 1 0 334.420 2.306 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368053778 166042725 /nfs/dbraw/zinc/04/27/25/166042725.db2.gz BOONPIPYGYUODN-QGZVFWFLSA-N 1 0 335.404 2.264 20 5 EEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000154554165 292524922 /nfs/dbraw/zinc/52/49/22/292524922.db2.gz QTEGJVMJAUAPJR-MRXNPFEDSA-N 1 0 335.404 2.086 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccncc21 ZINC000375777081 167191790 /nfs/dbraw/zinc/19/17/90/167191790.db2.gz PXBABRTVCFNWJN-MSOLQXFVSA-N 1 0 342.399 2.178 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000342732547 287360539 /nfs/dbraw/zinc/36/05/39/287360539.db2.gz ZVLWGJUSHRIZLP-KGLIPLIRSA-N 1 0 346.431 2.170 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000123241501 222241204 /nfs/dbraw/zinc/24/12/04/222241204.db2.gz NPRSFRJWSHYEEI-VXGBXAGGSA-N 1 0 347.824 2.105 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000277244427 269144721 /nfs/dbraw/zinc/14/47/21/269144721.db2.gz JMANFSICSAFKMG-NSHDSACASA-N 1 0 349.416 2.156 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281279499 269417156 /nfs/dbraw/zinc/41/71/56/269417156.db2.gz XBNUPEXESKWQLR-GFCCVEGCSA-N 1 0 345.403 2.412 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094779 273811894 /nfs/dbraw/zinc/81/18/94/273811894.db2.gz KROYPRVTWHEKOV-FYCOFBDGSA-N 1 0 335.429 2.162 20 5 EEBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399162 274024830 /nfs/dbraw/zinc/02/48/30/274024830.db2.gz RUSZIYXXHMLUDG-HOCLYGCPSA-N 1 0 335.404 2.377 20 5 EEBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000274429775 274194479 /nfs/dbraw/zinc/19/44/79/274194479.db2.gz NMVJTDPPHQRCIL-JHJVBQTASA-N 1 0 334.420 2.154 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000275659401 274259182 /nfs/dbraw/zinc/25/91/82/274259182.db2.gz XZMMMLDNPNPCOA-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000261765446 274559173 /nfs/dbraw/zinc/55/91/73/274559173.db2.gz KABVDIGQEIZHTO-JQWIXIFHSA-N 1 0 344.371 2.048 20 5 EEBDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420279334 274718845 /nfs/dbraw/zinc/71/88/45/274718845.db2.gz SONMODYCKYXHPX-SNVBAGLBSA-N 1 0 332.326 2.238 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290202024 275188961 /nfs/dbraw/zinc/18/89/61/275188961.db2.gz UATJKMZAXHKEQY-QGZVFWFLSA-N 1 0 342.399 2.475 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290214802 275190021 /nfs/dbraw/zinc/19/00/21/275190021.db2.gz SLMSLGUYNQEMLF-HNNXBMFYSA-N 1 0 346.431 2.245 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000423952281 275834998 /nfs/dbraw/zinc/83/49/98/275834998.db2.gz PWKUZHGZZQJNIU-OAHLLOKOSA-N 1 0 334.420 2.298 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245465852 276075038 /nfs/dbraw/zinc/07/50/38/276075038.db2.gz YPVHOXGZBWBGHM-ZIAGYGMSSA-N 1 0 334.420 2.195 20 5 EEBDRO CC[NH+](CC)CC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341723589 276323536 /nfs/dbraw/zinc/32/35/36/276323536.db2.gz SIXJAPVGJVFFLC-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000349243379 276527901 /nfs/dbraw/zinc/52/79/01/276527901.db2.gz BJRCRZBLUKSXHI-QWHCGFSZSA-N 1 0 326.418 2.471 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CC[NH3+] ZINC000424049834 278301995 /nfs/dbraw/zinc/30/19/95/278301995.db2.gz ZLFBASAANRVVKI-VIFPVBQESA-N 1 0 329.784 2.259 20 5 EEBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000342471409 278798671 /nfs/dbraw/zinc/79/86/71/278798671.db2.gz JCZCQFASHVOABE-UKRRQHHQSA-N 1 0 336.411 2.196 20 5 EEBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964097 279270444 /nfs/dbraw/zinc/27/04/44/279270444.db2.gz AVPHUPIDTMIOIM-IAQYHMDHSA-N 1 0 326.418 2.385 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000281766490 292784620 /nfs/dbraw/zinc/78/46/20/292784620.db2.gz SVCATXCPFDTWPB-CQSZACIVSA-N 1 0 349.431 2.471 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000281916311 292794443 /nfs/dbraw/zinc/79/44/43/292794443.db2.gz JEBPVRDQROJJKU-LBPRGKRZSA-N 1 0 332.404 2.370 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913021 293076392 /nfs/dbraw/zinc/07/63/92/293076392.db2.gz LAAKNPFPQGVCDU-JQWIXIFHSA-N 1 0 336.310 2.494 20 5 EEBDRO Cn1cc(C[NH+]2CC3(C2)CCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293962620 293338533 /nfs/dbraw/zinc/33/85/33/293338533.db2.gz JPAJOEYIIPGUBX-UHFFFAOYSA-N 1 0 328.372 2.218 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000294466166 293460857 /nfs/dbraw/zinc/46/08/57/293460857.db2.gz NACSFLJYUIOYGO-LLVKDONJSA-N 1 0 339.367 2.204 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000294892146 293573156 /nfs/dbraw/zinc/57/31/56/293573156.db2.gz QYNDRJLXAACEBA-AWEZNQCLSA-N 1 0 346.431 2.457 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000295269293 293666559 /nfs/dbraw/zinc/66/65/59/293666559.db2.gz ARCGIRXLKCWUGR-NEPJUHHUSA-N 1 0 331.376 2.489 20 5 EEBDRO CCCCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295276897 293669051 /nfs/dbraw/zinc/66/90/51/293669051.db2.gz KBYDVCAMZITYGS-LSDHHAIUSA-N 1 0 337.420 2.330 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251487 293926253 /nfs/dbraw/zinc/92/62/53/293926253.db2.gz XLBDIOKYURLSKO-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)CCC2 ZINC000297324893 294212280 /nfs/dbraw/zinc/21/22/80/294212280.db2.gz NOFULKAGLIRQPN-CRAIPNDOSA-N 1 0 333.432 2.409 20 5 EEBDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000297812236 294348027 /nfs/dbraw/zinc/34/80/27/294348027.db2.gz YDRAEHWVRCYVKX-UHFFFAOYSA-N 1 0 346.416 2.476 20 5 EEBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000298306464 294468046 /nfs/dbraw/zinc/46/80/46/294468046.db2.gz PXZLOSVTINLAIQ-WBVHZDCISA-N 1 0 348.399 2.385 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302033820 294923264 /nfs/dbraw/zinc/92/32/64/294923264.db2.gz OGYZPKJNPPZQRS-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171265018 295255095 /nfs/dbraw/zinc/25/50/95/295255095.db2.gz AGKKRPXZQDQJEM-XQQFMLRXSA-N 1 0 335.404 2.481 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000261667471 301550892 /nfs/dbraw/zinc/55/08/92/301550892.db2.gz GRHIGEUNFHAUSJ-CHWSQXEVSA-N 1 0 341.433 2.102 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000493635209 447357670 /nfs/dbraw/zinc/35/76/70/447357670.db2.gz VACSCKZZSKLUHH-CXLRFSCWSA-N 1 0 345.334 2.117 20 5 EEBDRO COc1cccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000332523163 312019486 /nfs/dbraw/zinc/01/94/86/312019486.db2.gz ATZYVCJMPXTYAN-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415502209 313133923 /nfs/dbraw/zinc/13/39/23/313133923.db2.gz NJPFMBOJZICZTJ-UHFFFAOYSA-N 1 0 336.392 2.265 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418639985 313867129 /nfs/dbraw/zinc/86/71/29/313867129.db2.gz MNFJTOPPLADQGC-UHFFFAOYSA-N 1 0 332.404 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CC12CCCCC2 ZINC000431088295 314612987 /nfs/dbraw/zinc/61/29/87/314612987.db2.gz RRGHOOZGFIQFSR-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(C)C ZINC000444164622 315278105 /nfs/dbraw/zinc/27/81/05/315278105.db2.gz DRNANQQCXIFUMN-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000493186014 315905775 /nfs/dbraw/zinc/90/57/75/315905775.db2.gz GRBSGDNGQSPQDQ-RCFWFJCLSA-N 1 0 333.363 2.349 20 5 EEBDRO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637012 316509390 /nfs/dbraw/zinc/50/93/90/316509390.db2.gz ARIXHBOUNIPANH-DOTOQJQBSA-N 1 0 332.404 2.153 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000523353324 316987383 /nfs/dbraw/zinc/98/73/83/316987383.db2.gz HXWAPYDEKIZTRM-UHFFFAOYSA-N 1 0 334.376 2.039 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000544147310 318181398 /nfs/dbraw/zinc/18/13/98/318181398.db2.gz STZQJDARDVMSQF-KRWDZBQOSA-N 1 0 342.395 2.435 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546562752 318252696 /nfs/dbraw/zinc/25/26/96/318252696.db2.gz IDZZMJZWAWNJIF-GFCCVEGCSA-N 1 0 337.395 2.470 20 5 EEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000547726958 318315891 /nfs/dbraw/zinc/31/58/91/318315891.db2.gz JOTCPIJYNXANCT-OAHLLOKOSA-N 1 0 347.802 2.477 20 5 EEBDRO CCc1ccc(S(=O)(=O)N(CC)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000563062971 318966167 /nfs/dbraw/zinc/96/61/67/318966167.db2.gz LKRVMUBXGQHXOJ-UHFFFAOYSA-N 1 0 343.449 2.120 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000572953867 319891226 /nfs/dbraw/zinc/89/12/26/319891226.db2.gz ZIKREOIIGFEMCG-LLVKDONJSA-N 1 0 348.371 2.394 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000575058557 320083711 /nfs/dbraw/zinc/08/37/11/320083711.db2.gz HZKKPJRKRWHBJG-YOEHRIQHSA-N 1 0 347.415 2.262 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578109375 320294486 /nfs/dbraw/zinc/29/44/86/320294486.db2.gz YXJZBMOHRBHRQS-NSHDSACASA-N 1 0 337.376 2.174 20 5 EEBDRO COCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000581186131 324202865 /nfs/dbraw/zinc/20/28/65/324202865.db2.gz FJSGKVLITXEZQX-OAHLLOKOSA-N 1 0 338.404 2.131 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ncccc12 ZINC000325775397 465029994 /nfs/dbraw/zinc/02/99/94/465029994.db2.gz DDGBFLXLIFWIAZ-CHWSQXEVSA-N 1 0 328.372 2.418 20 5 EEBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160491 465098846 /nfs/dbraw/zinc/09/88/46/465098846.db2.gz KMISOORIISVWRA-CVEARBPZSA-N 1 0 347.415 2.495 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[N@H+]1C ZINC000296502841 465215431 /nfs/dbraw/zinc/21/54/31/465215431.db2.gz QCODWFQPWTZUEI-PHIMTYICSA-N 1 0 340.811 2.482 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552044249 468302520 /nfs/dbraw/zinc/30/25/20/468302520.db2.gz WUCXWXOGVZHQMA-YOEHRIQHSA-N 1 0 343.431 2.349 20 5 EEBDRO COC(=O)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000152551532 462546248 /nfs/dbraw/zinc/54/62/48/462546248.db2.gz RAOOBRAQVRSYRF-GQCTYLIASA-N 1 0 334.372 2.310 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000045083634 462557332 /nfs/dbraw/zinc/55/73/32/462557332.db2.gz AUWXQAUSRZVYAM-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CCCC2)CC1 ZINC000045347789 462578311 /nfs/dbraw/zinc/57/83/11/462578311.db2.gz AWAUTBGJYCLBSI-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046063589 462643955 /nfs/dbraw/zinc/64/39/55/462643955.db2.gz QFQLTLVJQAKXJB-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000089644403 462703530 /nfs/dbraw/zinc/70/35/30/462703530.db2.gz SGXQYHYBISESNY-HOTGVXAUSA-N 1 0 342.399 2.346 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC(=O)OC ZINC000064570647 462710729 /nfs/dbraw/zinc/71/07/29/462710729.db2.gz ZJODGHIOTPQQOJ-UHFFFAOYSA-N 1 0 337.376 2.117 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047104468 462743722 /nfs/dbraw/zinc/74/37/22/462743722.db2.gz WLLAAQLDYYHEAD-GDBMZVCRSA-N 1 0 332.404 2.363 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000116300817 462752328 /nfs/dbraw/zinc/75/23/28/462752328.db2.gz OPNKSMVHCUUDRD-UHFFFAOYSA-N 1 0 325.368 2.295 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000590723796 468317056 /nfs/dbraw/zinc/31/70/56/468317056.db2.gz RYBMDMCYZHEXHI-GFCCVEGCSA-N 1 0 336.392 2.005 20 5 EEBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552510 462797834 /nfs/dbraw/zinc/79/78/34/462797834.db2.gz VLGSFNYTEHRONN-LSDHHAIUSA-N 1 0 335.404 2.036 20 5 EEBDRO Cc1nn(C)c(NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000076688357 462895184 /nfs/dbraw/zinc/89/51/84/462895184.db2.gz ZHSOUDDOWQRLSU-UHFFFAOYSA-N 1 0 337.424 2.084 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000077591375 463009061 /nfs/dbraw/zinc/00/90/61/463009061.db2.gz NAPDUCPTZQXIEG-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000050784496 463009461 /nfs/dbraw/zinc/00/94/61/463009461.db2.gz WRROFCOQLWECTK-LALPHHSUSA-N 1 0 331.372 2.205 20 5 EEBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000156404908 463019485 /nfs/dbraw/zinc/01/94/85/463019485.db2.gz VMKLGLIHBYIZKQ-OAHLLOKOSA-N 1 0 335.404 2.164 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067906544 463066342 /nfs/dbraw/zinc/06/63/42/463066342.db2.gz JCGCPPARNKDPNU-KBPBESRZSA-N 1 0 349.431 2.383 20 5 EEBDRO Cc1ccc(F)c(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000095409658 463079068 /nfs/dbraw/zinc/07/90/68/463079068.db2.gz MEQHFCXGBVYLRB-IAGOWNOFSA-N 1 0 334.347 2.226 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078454823 463118127 /nfs/dbraw/zinc/11/81/27/463118127.db2.gz FVMAYNUSBZJKDA-LBPRGKRZSA-N 1 0 345.403 2.142 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000078576751 463130624 /nfs/dbraw/zinc/13/06/24/463130624.db2.gz OUJMEWZPXXHIMW-CQSZACIVSA-N 1 0 348.403 2.472 20 5 EEBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157504240 463138043 /nfs/dbraw/zinc/13/80/43/463138043.db2.gz OBFDOSTXIOLKCC-CQSZACIVSA-N 1 0 343.387 2.142 20 5 EEBDRO CNC(=O)c1ccc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000053556183 463173294 /nfs/dbraw/zinc/17/32/94/463173294.db2.gz MZLDBLLVQAMWHE-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562194 463174838 /nfs/dbraw/zinc/17/48/38/463174838.db2.gz PAEZEGMWFMIYNX-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000069129491 463211118 /nfs/dbraw/zinc/21/11/18/463211118.db2.gz WHQKMHRFMURIFM-VIFPVBQESA-N 1 0 347.824 2.009 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000160830679 463374546 /nfs/dbraw/zinc/37/45/46/463374546.db2.gz JNKCXZDWQNMDBP-RKDXNWHRSA-N 1 0 342.193 2.357 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000123993833 463384444 /nfs/dbraw/zinc/38/44/44/463384444.db2.gz FNCZIBHZDYWFIJ-IAQYHMDHSA-N 1 0 329.360 2.097 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000032727976 463390286 /nfs/dbraw/zinc/39/02/86/463390286.db2.gz FVHKGBAXTHJNOC-GOSISDBHSA-N 1 0 341.411 2.426 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000124670908 463449842 /nfs/dbraw/zinc/44/98/42/463449842.db2.gz SJOUDFHSQLSZIK-GFCCVEGCSA-N 1 0 335.389 2.476 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000125351775 463533705 /nfs/dbraw/zinc/53/37/05/463533705.db2.gz OSSIPKKSLYDPPS-MLGOLLRUSA-N 1 0 333.388 2.105 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000492313372 468377394 /nfs/dbraw/zinc/37/73/94/468377394.db2.gz OYHVGDGMSNXEAS-STUIXMSNSA-N 1 0 335.429 2.112 20 5 EEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784900 463858790 /nfs/dbraw/zinc/85/87/90/463858790.db2.gz YFEQBIZJKOAJBS-YOEHRIQHSA-N 1 0 335.404 2.052 20 5 EEBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730859 463915039 /nfs/dbraw/zinc/91/50/39/463915039.db2.gz LOBOVOKOPFWAIE-NSHDSACASA-N 1 0 337.424 2.121 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000269235802 463921084 /nfs/dbraw/zinc/92/10/84/463921084.db2.gz BKHDLJOVPDKEFV-LLVKDONJSA-N 1 0 329.784 2.117 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269397962 463976105 /nfs/dbraw/zinc/97/61/05/463976105.db2.gz NEQLFIAEOOJNBG-NWDGAFQWSA-N 1 0 337.424 2.292 20 5 EEBDRO C[NH+]1CCC(N2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000195511924 464061902 /nfs/dbraw/zinc/06/19/02/464061902.db2.gz RMMOXCCTUWCTNY-UHFFFAOYSA-N 1 0 325.438 2.022 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000269770439 464087868 /nfs/dbraw/zinc/08/78/68/464087868.db2.gz ARNXZVRHZWSBSO-RISCZKNCSA-N 1 0 332.360 2.380 20 5 EEBDRO C[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279954355 464170546 /nfs/dbraw/zinc/17/05/46/464170546.db2.gz KAIMIYHNIVKVHQ-UHFFFAOYSA-N 1 0 329.759 2.140 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000270054393 464171876 /nfs/dbraw/zinc/17/18/76/464171876.db2.gz DBDFKDDMJSUFBU-HNNXBMFYSA-N 1 0 346.431 2.123 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C2)C1 ZINC000292270401 464181217 /nfs/dbraw/zinc/18/12/17/464181217.db2.gz LMYVSXHSNRXDSH-QGZVFWFLSA-N 1 0 346.387 2.083 20 5 EEBDRO C[NH+](C)CCOCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000226738477 464185728 /nfs/dbraw/zinc/18/57/28/464185728.db2.gz XFFZTWIQHQKGLQ-UHFFFAOYSA-N 1 0 332.198 2.347 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000284458759 464200035 /nfs/dbraw/zinc/20/00/35/464200035.db2.gz RTOYBXYSNZNQAU-ABAIWWIYSA-N 1 0 333.388 2.206 20 5 EEBDRO COC[C@](C)([NH3+])CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270219133 464223101 /nfs/dbraw/zinc/22/31/01/464223101.db2.gz MRDTVNORKKNPPD-MRXNPFEDSA-N 1 0 331.376 2.136 20 5 EEBDRO Cc1cnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000270452219 464255637 /nfs/dbraw/zinc/25/56/37/464255637.db2.gz ISKBPXDKSDPUER-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO Cc1ccnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000270449605 464256324 /nfs/dbraw/zinc/25/63/24/464256324.db2.gz IBRIBICJDCGJRT-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000264445148 464328691 /nfs/dbraw/zinc/32/86/91/464328691.db2.gz RIVZOJYZXWNGPF-BXUZGUMPSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237608849 464347569 /nfs/dbraw/zinc/34/75/69/464347569.db2.gz QKGQDBHFRIHVGV-CXAGYDPISA-N 1 0 342.399 2.459 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000237663256 464361128 /nfs/dbraw/zinc/36/11/28/464361128.db2.gz MZLOITFULHDOQF-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180697861 464373330 /nfs/dbraw/zinc/37/33/30/464373330.db2.gz WUKFCIZKMHPZTK-LBPRGKRZSA-N 1 0 334.420 2.417 20 5 EEBDRO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237967936 464411722 /nfs/dbraw/zinc/41/17/22/464411722.db2.gz MTIDFIUVQDZASG-GOSISDBHSA-N 1 0 337.379 2.367 20 5 EEBDRO Cc1cc(OCC(=O)NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000281489730 464474737 /nfs/dbraw/zinc/47/47/37/464474737.db2.gz TYVZQQJGUVILIH-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO CC[N@H+](CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000281646104 464533291 /nfs/dbraw/zinc/53/32/91/464533291.db2.gz RJZUHRFOHJJXAY-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO COc1cc(C(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000281655725 464537198 /nfs/dbraw/zinc/53/71/98/464537198.db2.gz IIKINEQNCYHADN-UHFFFAOYSA-N 1 0 335.404 2.470 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294669559 464569102 /nfs/dbraw/zinc/56/91/02/464569102.db2.gz ZUJJGGGSADLQFF-LLVKDONJSA-N 1 0 339.367 2.204 20 5 EEBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460599 464572924 /nfs/dbraw/zinc/57/29/24/464572924.db2.gz ZVJIKRYOQDXCTJ-ULFGMLNVSA-N 1 0 348.447 2.205 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294701599 464579919 /nfs/dbraw/zinc/57/99/19/464579919.db2.gz VHMAACDQSVFPTI-JTQLQIEISA-N 1 0 327.356 2.203 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000182190920 464594861 /nfs/dbraw/zinc/59/48/61/464594861.db2.gz SGXMHNNHUDYDPI-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000272487231 464628490 /nfs/dbraw/zinc/62/84/90/464628490.db2.gz MRRDJBIJEWPWTB-IAQYHMDHSA-N 1 0 328.372 2.242 20 5 EEBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285635839 464637140 /nfs/dbraw/zinc/63/71/40/464637140.db2.gz LNFZGSALADIOOS-CQSZACIVSA-N 1 0 349.387 2.464 20 5 EEBDRO CC[C@H](O)CC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272515918 464640976 /nfs/dbraw/zinc/64/09/76/464640976.db2.gz XOALKPUZUPAMJF-NSHDSACASA-N 1 0 348.346 2.498 20 5 EEBDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568991909 468419354 /nfs/dbraw/zinc/41/93/54/468419354.db2.gz YQRSHBCWZIIIJM-YOEHRIQHSA-N 1 0 346.431 2.498 20 5 EEBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295087177 464700677 /nfs/dbraw/zinc/70/06/77/464700677.db2.gz BOQXTRFFYXCZMT-JKSUJKDBSA-N 1 0 339.395 2.418 20 5 EEBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295223612 464751300 /nfs/dbraw/zinc/75/13/00/464751300.db2.gz YJWGMTVOBJBTPW-UHFFFAOYSA-N 1 0 327.450 2.474 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@@H]21 ZINC000286137014 464816618 /nfs/dbraw/zinc/81/66/18/464816618.db2.gz HRHIHNUZVPCZRG-NHYWBVRUSA-N 1 0 343.387 2.164 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000286205612 464839101 /nfs/dbraw/zinc/83/91/01/464839101.db2.gz YDQQCDQFBZFBLM-KURKYZTESA-N 1 0 342.399 2.296 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286317727 464879003 /nfs/dbraw/zinc/87/90/03/464879003.db2.gz KQSDMZNNLWELJC-YPMHNXCESA-N 1 0 343.387 2.307 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000286371952 464895482 /nfs/dbraw/zinc/89/54/82/464895482.db2.gz IJOPMPDIDPKBSO-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccsc1 ZINC000249594317 464897610 /nfs/dbraw/zinc/89/76/10/464897610.db2.gz WJFSGXOLFRKNCD-DOMZBBRYSA-N 1 0 338.433 2.167 20 5 EEBDRO CCC(=O)c1ccc(N[C@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000295683484 464928073 /nfs/dbraw/zinc/92/80/73/464928073.db2.gz MRCHJBNQOZGCKY-AWEZNQCLSA-N 1 0 335.404 2.446 20 5 EEBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc21 ZINC000286507308 464942955 /nfs/dbraw/zinc/94/29/55/464942955.db2.gz QADYTCPQSLRURP-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593913181 468430518 /nfs/dbraw/zinc/43/05/18/468430518.db2.gz SAOUCMGYUVKRHI-JJRVBVJISA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593911153 468430565 /nfs/dbraw/zinc/43/05/65/468430565.db2.gz FEEDZVXQQIGWFO-ZMSDIMECSA-N 1 0 347.415 2.262 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000593918192 468432415 /nfs/dbraw/zinc/43/24/15/468432415.db2.gz BYTJNGQJFVROCR-DJIMGWMZSA-N 1 0 347.415 2.025 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593917653 468432965 /nfs/dbraw/zinc/43/29/65/468432965.db2.gz XGZFPOZPJSBNQA-QMTHXVAHSA-N 1 0 331.376 2.061 20 5 EEBDRO Cc1c(CNC(=O)N(C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000359546807 465446362 /nfs/dbraw/zinc/44/63/62/465446362.db2.gz MGFFDLIMQOXTAN-UHFFFAOYSA-N 1 0 331.376 2.331 20 5 EEBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000348141612 465446585 /nfs/dbraw/zinc/44/65/85/465446585.db2.gz ZBVULTVJLAVEHK-STQMWFEESA-N 1 0 349.387 2.298 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759044 465493857 /nfs/dbraw/zinc/49/38/57/465493857.db2.gz PLVUDGZBJGIECW-DLBZAZTESA-N 1 0 336.388 2.013 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339765998 465497693 /nfs/dbraw/zinc/49/76/93/465497693.db2.gz ZKPPJVHMYDLGAJ-IRXDYDNUSA-N 1 0 336.388 2.013 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)o1 ZINC000337726419 465542404 /nfs/dbraw/zinc/54/24/04/465542404.db2.gz UDFRRSRAFJVBHP-AWEZNQCLSA-N 1 0 332.360 2.391 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000348322660 465550650 /nfs/dbraw/zinc/55/06/50/465550650.db2.gz OFPLYYMQIVEWCW-QWRGUYRKSA-N 1 0 347.375 2.015 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccnn1C ZINC000348376449 465572559 /nfs/dbraw/zinc/57/25/59/465572559.db2.gz RBUBYYGZZHFKRT-UHFFFAOYSA-N 1 0 331.376 2.097 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299057353 465580833 /nfs/dbraw/zinc/58/08/33/465580833.db2.gz PVDZGCPQDPCUQD-HOCLYGCPSA-N 1 0 328.372 2.433 20 5 EEBDRO O=[N+]([O-])c1cccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344547051 465661983 /nfs/dbraw/zinc/66/19/83/465661983.db2.gz ZOCRUNNHYCSMQB-LJQANCHMSA-N 1 0 341.411 2.321 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000337902403 465670464 /nfs/dbraw/zinc/67/04/64/465670464.db2.gz RIQTXRXCOCHMEF-OLZOCXBDSA-N 1 0 331.376 2.187 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357012416 465699995 /nfs/dbraw/zinc/69/99/95/465699995.db2.gz YUNZGKSWWKSXEP-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330615630 465732934 /nfs/dbraw/zinc/73/29/34/465732934.db2.gz UUBMJSKVTYDZCC-QWRGUYRKSA-N 1 0 325.796 2.342 20 5 EEBDRO Cc1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350075 465734604 /nfs/dbraw/zinc/73/46/04/465734604.db2.gz PIVDPROPVSYCKZ-JKSUJKDBSA-N 1 0 332.448 2.365 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1 ZINC000299557754 465800871 /nfs/dbraw/zinc/80/08/71/465800871.db2.gz SJXBWCZRPFKXQJ-UHFFFAOYSA-N 1 0 331.376 2.008 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000361210837 465838145 /nfs/dbraw/zinc/83/81/45/465838145.db2.gz DETAIUZNKVEXCE-CVEARBPZSA-N 1 0 349.431 2.000 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)C(C)C ZINC000357188139 465841508 /nfs/dbraw/zinc/84/15/08/465841508.db2.gz RUEWUYOQASNVKL-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000591356513 468457558 /nfs/dbraw/zinc/45/75/58/468457558.db2.gz FLXKTUKTIMQVFN-UHFFFAOYSA-N 1 0 340.811 2.090 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000299728041 465872958 /nfs/dbraw/zinc/87/29/58/465872958.db2.gz VPWVCXBDIPXATA-HNNXBMFYSA-N 1 0 349.387 2.043 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000591356544 468458103 /nfs/dbraw/zinc/45/81/03/468458103.db2.gz OHKZWFOVRRAQIX-CYBMUJFWSA-N 1 0 340.811 2.232 20 5 EEBDRO Nc1nc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ncc1[N+](=O)[O-] ZINC000301161327 465911924 /nfs/dbraw/zinc/91/19/24/465911924.db2.gz FIBDECIVWPXVFJ-CYBMUJFWSA-N 1 0 334.424 2.424 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCCC[C@H]3CO)o2)cc1 ZINC000594014974 468460947 /nfs/dbraw/zinc/46/09/47/468460947.db2.gz QBVXSUAEMNSPMZ-AWEZNQCLSA-N 1 0 332.360 2.382 20 5 EEBDRO CCOc1cc(N2CC[NH+](CC3(C)COC3)CC2)ccc1[N+](=O)[O-] ZINC000361347215 465925445 /nfs/dbraw/zinc/92/54/45/465925445.db2.gz TXXKHUKAPGNVHI-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000366825153 465956527 /nfs/dbraw/zinc/95/65/27/465956527.db2.gz UHUTVUFBVSLAIC-HUUCEWRRSA-N 1 0 347.415 2.415 20 5 EEBDRO Cn1cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353670624 466052414 /nfs/dbraw/zinc/05/24/14/466052414.db2.gz IGTWPGBBKNQUEG-PBHICJAKSA-N 1 0 341.415 2.179 20 5 EEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC2(CC[NH2+]C2)CC1 ZINC000591442579 468470340 /nfs/dbraw/zinc/47/03/40/468470340.db2.gz RFEZPBKZSCQRFK-UHFFFAOYSA-N 1 0 341.209 2.332 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000591446284 468471566 /nfs/dbraw/zinc/47/15/66/468471566.db2.gz YVGAETALLGFROI-RDTXWAMCSA-N 1 0 346.431 2.286 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1[NH+](C)C ZINC000331614020 466164236 /nfs/dbraw/zinc/16/42/36/466164236.db2.gz PMFLZYQQGSLDPH-CABCVRRESA-N 1 0 348.428 2.194 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](CCO)C3)o2)c1 ZINC000357813960 466232769 /nfs/dbraw/zinc/23/27/69/466232769.db2.gz JBWKZWBHMQPPHW-ZDUSSCGKSA-N 1 0 331.372 2.497 20 5 EEBDRO CC(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000338584903 466236936 /nfs/dbraw/zinc/23/69/36/466236936.db2.gz HZSSUMQRRSPFID-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000340675400 466255775 /nfs/dbraw/zinc/25/57/75/466255775.db2.gz BXBYVDKHCOPMRD-UHFFFAOYSA-N 1 0 342.399 2.490 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)[NH+](C)C ZINC000357859189 466267855 /nfs/dbraw/zinc/26/78/55/466267855.db2.gz HKQSOFRQJGQCFH-WBMJQRKESA-N 1 0 345.403 2.058 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](CO)C3)o2)c1 ZINC000304662684 466309613 /nfs/dbraw/zinc/30/96/13/466309613.db2.gz ANUVLZPHSXCCRL-ZDUSSCGKSA-N 1 0 331.372 2.497 20 5 EEBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@]1(CO)CCOC1 ZINC000600179062 468487153 /nfs/dbraw/zinc/48/71/53/468487153.db2.gz SKXCKUPTLBAJOQ-KRWDZBQOSA-N 1 0 332.356 2.438 20 5 EEBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@]1(CO)CCOC1 ZINC000600179065 468487244 /nfs/dbraw/zinc/48/72/44/468487244.db2.gz SKXCKUPTLBAJOQ-QGZVFWFLSA-N 1 0 332.356 2.438 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000581082757 468487653 /nfs/dbraw/zinc/48/76/53/468487653.db2.gz NJWPUBRZLQHOJM-INIZCTEOSA-N 1 0 325.412 2.251 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354425839 466557978 /nfs/dbraw/zinc/55/79/78/466557978.db2.gz IOCWUXOTXVCACP-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000347348831 466583424 /nfs/dbraw/zinc/58/34/24/466583424.db2.gz KMDMGWCFMOSLGO-OAHLLOKOSA-N 1 0 325.340 2.366 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(F)C1 ZINC000347350147 466584873 /nfs/dbraw/zinc/58/48/73/466584873.db2.gz MBBUOLAIOHSMTH-HNNXBMFYSA-N 1 0 325.340 2.366 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591676248 468501518 /nfs/dbraw/zinc/50/15/18/468501518.db2.gz HIROTGAPCLFRMX-ZDUSSCGKSA-N 1 0 344.209 2.461 20 5 EEBDRO Cc1cccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1[N+](=O)[O-] ZINC000373238383 466738788 /nfs/dbraw/zinc/73/87/88/466738788.db2.gz ZPDSTDJDJYVMCW-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423548859 466771750 /nfs/dbraw/zinc/77/17/50/466771750.db2.gz FDGWFVUJGQFTLP-FPMFFAJLSA-N 1 0 333.388 2.111 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423598124 466780599 /nfs/dbraw/zinc/78/05/99/466780599.db2.gz VTJBSVONSVEDJR-MWLCHTKSSA-N 1 0 343.836 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365601885 466877745 /nfs/dbraw/zinc/87/77/45/466877745.db2.gz QZOSVXNRDFGWNJ-WBVHZDCISA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000375870426 466880489 /nfs/dbraw/zinc/88/04/89/466880489.db2.gz HIEGGIXJDXJFOE-LSDHHAIUSA-N 1 0 346.431 2.482 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000411765269 466896112 /nfs/dbraw/zinc/89/61/12/466896112.db2.gz JJGVHIJYWUYQJR-KRWDZBQOSA-N 1 0 349.387 2.187 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000423941702 466921740 /nfs/dbraw/zinc/92/17/40/466921740.db2.gz PCVSXIKWONDYLD-MRXNPFEDSA-N 1 0 343.387 2.028 20 5 EEBDRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000370649807 466953608 /nfs/dbraw/zinc/95/36/08/466953608.db2.gz HGUQWGSBPWSWHY-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411990738 466960334 /nfs/dbraw/zinc/96/03/34/466960334.db2.gz RTZVYRZPTOGRGL-YGRLFVJLSA-N 1 0 348.321 2.491 20 5 EEBDRO COC(=O)[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412061966 466990132 /nfs/dbraw/zinc/99/01/32/466990132.db2.gz HXUHKKJVPOBHLN-QGZVFWFLSA-N 1 0 349.387 2.199 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412087103 467002998 /nfs/dbraw/zinc/00/29/98/467002998.db2.gz OXFNCHLELNBLLI-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000374136386 467007970 /nfs/dbraw/zinc/00/79/70/467007970.db2.gz KTNCRGZBQNQNLL-GOSISDBHSA-N 1 0 344.367 2.234 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412203609 467037713 /nfs/dbraw/zinc/03/77/13/467037713.db2.gz KGXJDRVKCYXEJM-UHFFFAOYSA-N 1 0 341.383 2.085 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418305242 467090719 /nfs/dbraw/zinc/09/07/19/467090719.db2.gz YDPXTIUCADHVCO-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)CC[N@@H+]1C[C@H](C)O ZINC000413129286 467175554 /nfs/dbraw/zinc/17/55/54/467175554.db2.gz LHLQBWRPTDAFPA-UONOGXRCSA-N 1 0 344.415 2.424 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427960993 467189096 /nfs/dbraw/zinc/18/90/96/467189096.db2.gz BSEQDWVJILXWPB-OAHLLOKOSA-N 1 0 333.388 2.190 20 5 EEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2cccc([N+](=O)[O-])c2)cnn1C ZINC000431949098 467205613 /nfs/dbraw/zinc/20/56/13/467205613.db2.gz HHVQHQSQKIETOL-DLBZAZTESA-N 1 0 346.387 2.135 20 5 EEBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433130721 467296524 /nfs/dbraw/zinc/29/65/24/467296524.db2.gz SLVCFSWJXRXLEW-MRXNPFEDSA-N 1 0 335.404 2.196 20 5 EEBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000420255305 467330512 /nfs/dbraw/zinc/33/05/12/467330512.db2.gz FQROUAVCOPZBOW-UKRRQHHQSA-N 1 0 346.431 2.394 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420469253 467418181 /nfs/dbraw/zinc/41/81/81/467418181.db2.gz VIWPGURSZOLIBB-MRXNPFEDSA-N 1 0 349.412 2.136 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000449636805 467673406 /nfs/dbraw/zinc/67/34/06/467673406.db2.gz FGOYDPJIRJHHDK-AAEUAGOBSA-N 1 0 332.404 2.416 20 5 EEBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000492583533 467678231 /nfs/dbraw/zinc/67/82/31/467678231.db2.gz PUEUUMSLUHJJRG-OAHLLOKOSA-N 1 0 335.404 2.294 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449658592 467679943 /nfs/dbraw/zinc/67/99/43/467679943.db2.gz BEJFGDMBWSCGIU-SKDRFNHKSA-N 1 0 345.371 2.189 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000449662410 467681001 /nfs/dbraw/zinc/68/10/01/467681001.db2.gz LKWCCIVHTSMCQT-LLVKDONJSA-N 1 0 331.344 2.044 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2nccc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000450486206 467857877 /nfs/dbraw/zinc/85/78/77/467857877.db2.gz KRUKDJNJSBKZLM-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EEBDRO CO[C@@H]1COCC[C@@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000450700226 467894114 /nfs/dbraw/zinc/89/41/14/467894114.db2.gz LWVVCKCZBUKVEM-SJKOYZFVSA-N 1 0 331.372 2.337 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000531726243 468071712 /nfs/dbraw/zinc/07/17/12/468071712.db2.gz SKBNJXMZGGFXQP-GJZGRUSLSA-N 1 0 347.415 2.089 20 5 EEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195985 468508221 /nfs/dbraw/zinc/50/82/21/468508221.db2.gz JTRNOKDAVUBLOI-GJZGRUSLSA-N 1 0 343.387 2.218 20 5 EEBDRO COc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594195746 468508373 /nfs/dbraw/zinc/50/83/73/468508373.db2.gz IOVRLAUNMJFFON-ZIAGYGMSSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594196771 468508503 /nfs/dbraw/zinc/50/85/03/468508503.db2.gz MLTAXERVIGMZAY-KBPBESRZSA-N 1 0 333.388 2.350 20 5 EEBDRO CCCOc1cc(C)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591753973 468515208 /nfs/dbraw/zinc/51/52/08/468515208.db2.gz ZBYHRIOHSBAKLU-INIZCTEOSA-N 1 0 348.403 2.039 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000591760134 468516389 /nfs/dbraw/zinc/51/63/89/468516389.db2.gz PEUPAGOCXHAAIX-JKSUJKDBSA-N 1 0 338.404 2.273 20 5 EEBDRO COC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000591761326 468516496 /nfs/dbraw/zinc/51/64/96/468516496.db2.gz NFONWZKNAQNXNX-OAHLLOKOSA-N 1 0 338.404 2.273 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600716630 468631055 /nfs/dbraw/zinc/63/10/55/468631055.db2.gz ZPGAGOUIQMNDNA-CQSZACIVSA-N 1 0 331.376 2.075 20 5 EEBDRO COCc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558120403 468666366 /nfs/dbraw/zinc/66/63/66/468666366.db2.gz WJZVUYZQSMTVTG-MRXNPFEDSA-N 1 0 346.383 2.271 20 5 EEBDRO COc1cc(CN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000594737236 468669167 /nfs/dbraw/zinc/66/91/67/468669167.db2.gz ZYDCMACVBBZOCT-UHFFFAOYSA-N 1 0 333.335 2.374 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000600947548 468693592 /nfs/dbraw/zinc/69/35/92/468693592.db2.gz MJNNSQSEIDDRAP-NSHDSACASA-N 1 0 329.198 2.187 20 5 EEBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000592485044 468708607 /nfs/dbraw/zinc/70/86/07/468708607.db2.gz OXMBJJCQOWIAMD-CQSZACIVSA-N 1 0 340.811 2.117 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595102341 468759482 /nfs/dbraw/zinc/75/94/82/468759482.db2.gz KDHSVXPWHNCSCM-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147439 468761528 /nfs/dbraw/zinc/76/15/28/468761528.db2.gz NIKOIDLFCDMLDD-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO CC(C)CNC(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370483 468829003 /nfs/dbraw/zinc/82/90/03/468829003.db2.gz GRXYIZFYYBXNGC-AWEZNQCLSA-N 1 0 349.435 2.028 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCCC1 ZINC000593111617 468875061 /nfs/dbraw/zinc/87/50/61/468875061.db2.gz HBCXCLWSJMYZKP-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595505034 468880390 /nfs/dbraw/zinc/88/03/90/468880390.db2.gz PSCNCJNWKMDMDT-KRWDZBQOSA-N 1 0 329.404 2.389 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000593189344 468899408 /nfs/dbraw/zinc/89/94/08/468899408.db2.gz MCFQNRFSYHHKDQ-RTXFEEFZSA-N 1 0 335.404 2.465 20 5 EEBDRO [NH3+]Cc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c(F)c1 ZINC000593319328 468937513 /nfs/dbraw/zinc/93/75/13/468937513.db2.gz VFXYPYOYOWBVIA-UHFFFAOYSA-N 1 0 347.346 2.254 20 5 EEBDRO O=C1NCCc2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000602613524 468966399 /nfs/dbraw/zinc/96/63/99/468966399.db2.gz KUDDOHNOTCHTOT-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716100 468971151 /nfs/dbraw/zinc/97/11/51/468971151.db2.gz XJQHLUZWRFZBGO-NSHDSACASA-N 1 0 329.422 2.007 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595741253 468981974 /nfs/dbraw/zinc/98/19/74/468981974.db2.gz MCSPVORSAMQJPP-IUODEOHRSA-N 1 0 333.388 2.094 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595747477 468984744 /nfs/dbraw/zinc/98/47/44/468984744.db2.gz DXNZQUDVSJPYIT-KRWDZBQOSA-N 1 0 343.431 2.040 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000610505867 468989257 /nfs/dbraw/zinc/98/92/57/468989257.db2.gz ZNXMJTLKOYXONA-HOTGVXAUSA-N 1 0 330.388 2.235 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000602654174 468989772 /nfs/dbraw/zinc/98/97/72/468989772.db2.gz PPBUFCQFDYQKFV-DOTOQJQBSA-N 1 0 334.416 2.295 20 5 EEBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684416 469009727 /nfs/dbraw/zinc/00/97/27/469009727.db2.gz XWAANZNGFFXINA-SWLSCSKDSA-N 1 0 342.403 2.451 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000602796674 469082378 /nfs/dbraw/zinc/08/23/78/469082378.db2.gz YLLOIJRVGBYCRE-INIZCTEOSA-N 1 0 340.387 2.327 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000595918506 469082496 /nfs/dbraw/zinc/08/24/96/469082496.db2.gz DXWWWGQWAAWFFN-UHFFFAOYSA-N 1 0 347.396 2.241 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000595991138 469108238 /nfs/dbraw/zinc/10/82/38/469108238.db2.gz GVWBRZURQZMUFV-GOSISDBHSA-N 1 0 346.431 2.313 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC000599084372 469111435 /nfs/dbraw/zinc/11/14/35/469111435.db2.gz BKXFXFMLGXHZGI-ZIAGYGMSSA-N 1 0 339.461 2.122 20 5 EEBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000588076733 469113376 /nfs/dbraw/zinc/11/33/76/469113376.db2.gz RBAHOYPHQRFSQF-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H](CO)Cc1ccccc1)OCCO2 ZINC000614992956 469118013 /nfs/dbraw/zinc/11/80/13/469118013.db2.gz LDWYKFHWKDOYLQ-HNNXBMFYSA-N 1 0 344.367 2.059 20 5 EEBDRO O=c1[nH]ccc(N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596063601 469134437 /nfs/dbraw/zinc/13/44/37/469134437.db2.gz VURBEQKFNUQFTL-UHFFFAOYSA-N 1 0 328.372 2.060 20 5 EEBDRO O=C1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1 ZINC000602016658 469146865 /nfs/dbraw/zinc/14/68/65/469146865.db2.gz IPGKTBNMFRRMIN-NSHDSACASA-N 1 0 331.294 2.372 20 5 EEBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611092474 469159678 /nfs/dbraw/zinc/15/96/78/469159678.db2.gz VDSCBXMEXKUEHL-TZMCWYRMSA-N 1 0 334.420 2.256 20 5 EEBDRO COc1ccc([C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)cn1 ZINC000602916964 469163803 /nfs/dbraw/zinc/16/38/03/469163803.db2.gz JITRAUVDKBRBEX-MRXNPFEDSA-N 1 0 331.376 2.244 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563156712 469184370 /nfs/dbraw/zinc/18/43/70/469184370.db2.gz OAKLVBUWYPLONA-OAHLLOKOSA-N 1 0 348.447 2.301 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596308489 469239156 /nfs/dbraw/zinc/23/91/56/469239156.db2.gz SVWARWRXSCSCSB-GFCCVEGCSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000596437074 469265658 /nfs/dbraw/zinc/26/56/58/469265658.db2.gz REPNNIAPZWGPCC-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EEBDRO COCCC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599504631 469278656 /nfs/dbraw/zinc/27/86/56/469278656.db2.gz OWXRKNLWOCQXCE-INIZCTEOSA-N 1 0 338.404 2.083 20 5 EEBDRO [NH3+]CCSCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603220266 469313440 /nfs/dbraw/zinc/31/34/40/469313440.db2.gz WQSYEIXWIPPTGS-UHFFFAOYSA-N 1 0 327.797 2.080 20 5 EEBDRO CO[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000602436424 469315745 /nfs/dbraw/zinc/31/57/45/469315745.db2.gz ZZULAVGTKKLOSG-SFHVURJKSA-N 1 0 349.431 2.158 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000602542365 469354487 /nfs/dbraw/zinc/35/44/87/469354487.db2.gz VXRQHGGZWRFURD-JGVFFNPUSA-N 1 0 337.323 2.256 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000602542482 469354625 /nfs/dbraw/zinc/35/46/25/469354625.db2.gz YKNLQBPNIRTBGF-WCQYABFASA-N 1 0 345.321 2.123 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000602597431 469378450 /nfs/dbraw/zinc/37/84/50/469378450.db2.gz CTGBZUPBXTYETA-DZGCQCFKSA-N 1 0 346.431 2.393 20 5 EEBDRO CN(CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612584161 469501872 /nfs/dbraw/zinc/50/18/72/469501872.db2.gz WWGANVXHKQFBCW-UHFFFAOYSA-N 1 0 329.356 2.436 20 5 EEBDRO CCOc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000617194463 469618948 /nfs/dbraw/zinc/61/89/48/469618948.db2.gz PKYWDPWPRFDZSB-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000619758798 469677488 /nfs/dbraw/zinc/67/74/88/469677488.db2.gz KRLLCRAFKUYKMH-MRXNPFEDSA-N 1 0 346.431 2.263 20 5 EEBDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000608860459 469884041 /nfs/dbraw/zinc/88/40/41/469884041.db2.gz NAIIACAXOAUSDU-IBGZPJMESA-N 1 0 343.427 2.220 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000583095526 485579005 /nfs/dbraw/zinc/57/90/05/485579005.db2.gz MLUBWUJFHQRQOA-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602540608 485643163 /nfs/dbraw/zinc/64/31/63/485643163.db2.gz LKEDNDRMBQGQCL-NWDGAFQWSA-N 1 0 345.321 2.123 20 5 EEBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000189630477 528329927 /nfs/dbraw/zinc/32/99/27/528329927.db2.gz MKEQNOUQKIGRLA-ZDUSSCGKSA-N 1 0 343.449 2.387 20 5 EEBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191359673 529108598 /nfs/dbraw/zinc/10/85/98/529108598.db2.gz DBJLIZIGXRYEID-CABCVRRESA-N 1 0 335.404 2.377 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000456893283 535670808 /nfs/dbraw/zinc/67/08/08/535670808.db2.gz GQVHGYKSXVFZLD-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445739826 536113209 /nfs/dbraw/zinc/11/32/09/536113209.db2.gz CWNBMKPUURAZQC-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451728615 536140156 /nfs/dbraw/zinc/14/01/56/536140156.db2.gz HAAMFFWCUNFBGO-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000725789895 576027340 /nfs/dbraw/zinc/02/73/40/576027340.db2.gz RFBOVEIUQARYFY-CYBMUJFWSA-N 1 0 332.404 2.446 20 5 EEBDRO CC[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000727823774 576451561 /nfs/dbraw/zinc/45/15/61/576451561.db2.gz KIYFERMXSKFWCU-SUMWQHHRSA-N 1 0 346.387 2.194 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731651421 577113107 /nfs/dbraw/zinc/11/31/07/577113107.db2.gz KZTAHCUQGIFRKP-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581698 577463093 /nfs/dbraw/zinc/46/30/93/577463093.db2.gz HRICODFSXJRFKT-ZWKOTPCHSA-N 1 0 346.383 2.302 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccco1 ZINC000766180831 577514294 /nfs/dbraw/zinc/51/42/94/577514294.db2.gz ANNOGTBBANUVEY-SJKOYZFVSA-N 1 0 347.371 2.402 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000770372462 577594843 /nfs/dbraw/zinc/59/48/43/577594843.db2.gz BRNNPHHMQBJPDQ-UHFFFAOYSA-N 1 0 345.355 2.491 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758266211 577620516 /nfs/dbraw/zinc/62/05/16/577620516.db2.gz ADRRVAMBXOCRRL-UHFFFAOYSA-N 1 0 338.477 2.189 20 5 EEBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000758850712 577632357 /nfs/dbraw/zinc/63/23/57/577632357.db2.gz SGSGUIBEPAGHJZ-CQSZACIVSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250118 577803072 /nfs/dbraw/zinc/80/30/72/577803072.db2.gz AZPLHCWJJSSNMB-MRXNPFEDSA-N 1 0 332.356 2.435 20 5 EEBDRO Cc1ccc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000743256968 577882301 /nfs/dbraw/zinc/88/23/01/577882301.db2.gz ZJIPNBASCMRAJR-GOSISDBHSA-N 1 0 342.399 2.250 20 5 EEBDRO CCOC[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000748095165 577955028 /nfs/dbraw/zinc/95/50/28/577955028.db2.gz QTCJIBBPLRKZCZ-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000749675529 577979681 /nfs/dbraw/zinc/97/96/81/577979681.db2.gz ZFAXLXMLANHXSO-LJQANCHMSA-N 1 0 341.411 2.276 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821581486 606473546 /nfs/dbraw/zinc/47/35/46/606473546.db2.gz MONWXCBXQCHASO-NEPJUHHUSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)ccn1C ZINC001020560678 675128576 /nfs/dbraw/zinc/12/85/76/675128576.db2.gz CCHQKBKFNATDDQ-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO O=C(Cc1cscn1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020687818 675407318 /nfs/dbraw/zinc/40/73/18/675407318.db2.gz ZXYNWVJSFCJZNL-JOCQHMNTSA-N 1 0 346.412 2.031 20 5 EEBDRO COc1c(O)ccc(C[N@H+](CCO)CCc2ccccc2)c1[N+](=O)[O-] ZINC000892042317 677939877 /nfs/dbraw/zinc/93/98/77/677939877.db2.gz NYWCMMGNMVVAKF-UHFFFAOYSA-N 1 0 346.383 2.346 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891667631 676762768 /nfs/dbraw/zinc/76/27/68/676762768.db2.gz HCSUMPQZWFIZPI-DZGCQCFKSA-N 1 0 338.795 2.332 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(F)c[nH]1 ZINC001022446980 677712980 /nfs/dbraw/zinc/71/29/80/677712980.db2.gz YEBYNUKLCAMQSA-BETUJISGSA-N 1 0 332.335 2.113 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000891934347 677715307 /nfs/dbraw/zinc/71/53/07/677715307.db2.gz ZERHDFSRSIMSGE-AWEZNQCLSA-N 1 0 335.404 2.369 20 5 EEBDRO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000891980373 677838761 /nfs/dbraw/zinc/83/87/61/677838761.db2.gz FJVBPTQZTPNEEJ-KGLIPLIRSA-N 1 0 346.431 2.482 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892122665 678030945 /nfs/dbraw/zinc/03/09/45/678030945.db2.gz ZEBVDIPQRVJXOL-ZDUSSCGKSA-N 1 0 337.420 2.473 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1C ZINC000896837069 685356122 /nfs/dbraw/zinc/35/61/22/685356122.db2.gz BHEFPSGDKVYWPA-INIZCTEOSA-N 1 0 337.445 2.379 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000896857946 685408975 /nfs/dbraw/zinc/40/89/75/685408975.db2.gz YAOIAETYQZOLFZ-HNNXBMFYSA-N 1 0 347.415 2.006 20 5 EEBDRO C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000892742900 682979329 /nfs/dbraw/zinc/97/93/29/682979329.db2.gz ZBLZVWFQAOOKCS-CQSZACIVSA-N 1 0 329.404 2.429 20 5 EEBDRO C[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777215 683032819 /nfs/dbraw/zinc/03/28/19/683032819.db2.gz INRNLZUGMFPWRC-APPDUMDISA-N 1 0 335.379 2.438 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892774419 683034365 /nfs/dbraw/zinc/03/43/65/683034365.db2.gz LRCDOMSCLGXIPF-LBPRGKRZSA-N 1 0 349.391 2.068 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892797608 683065510 /nfs/dbraw/zinc/06/55/10/683065510.db2.gz QANRQYCCHFURKF-KRWDZBQOSA-N 1 0 333.388 2.208 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001019932680 683494420 /nfs/dbraw/zinc/49/44/20/683494420.db2.gz DEFMKRPBYIJCSE-JOCQHMNTSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1ncoc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990688774 693221590 /nfs/dbraw/zinc/22/15/90/693221590.db2.gz KTQWEZTVAUBAAY-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000905566952 1189779884 /nfs/dbraw/zinc/77/98/84/1189779884.db2.gz BCXRQHPEPGQOEM-AWEZNQCLSA-N 1 0 333.413 2.406 20 5 EEBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001034643921 1196464938 /nfs/dbraw/zinc/46/49/38/1196464938.db2.gz ADDVXCFGBMVXIV-KBUPBQIOSA-N 1 0 337.445 2.239 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cnco1 ZINC001034701940 1196586959 /nfs/dbraw/zinc/58/69/59/1196586959.db2.gz JBVSLRDCGAAVIJ-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000865588760 1198288878 /nfs/dbraw/zinc/28/88/78/1198288878.db2.gz JKTJCJIOZHFLJS-CQSZACIVSA-N 1 0 335.379 2.363 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CC1 ZINC001134211360 1199389980 /nfs/dbraw/zinc/38/99/80/1199389980.db2.gz FVEFOMVUVXDBNC-UHFFFAOYSA-N 1 0 331.294 2.143 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC001134278314 1199443680 /nfs/dbraw/zinc/44/36/80/1199443680.db2.gz WXCSLKFIAJAUIS-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000877245927 1199887604 /nfs/dbraw/zinc/88/76/04/1199887604.db2.gz QUBMVGOQCSEKEY-UBSAEIQESA-N 1 0 333.388 2.254 20 5 EEBDRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877829979 1200134939 /nfs/dbraw/zinc/13/49/39/1200134939.db2.gz BTDNHYWNUYLZQC-JBBXEZCESA-N 1 0 348.374 2.349 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000878596812 1200562968 /nfs/dbraw/zinc/56/29/68/1200562968.db2.gz HQXICJFASXGHIR-IAGOWNOFSA-N 1 0 332.404 2.448 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000879962593 1201325747 /nfs/dbraw/zinc/32/57/47/1201325747.db2.gz UESCUNXROWFPLB-CYBMUJFWSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CC=CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121224556 1201603245 /nfs/dbraw/zinc/60/32/45/1201603245.db2.gz OFXVOCYGWZJXRI-OAHLLOKOSA-N 1 0 327.388 2.157 20 5 EEBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886145170 1202477036 /nfs/dbraw/zinc/47/70/36/1202477036.db2.gz QQMGOYATLHWZMS-GXTWGEPZSA-N 1 0 336.392 2.336 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889835018 1204722897 /nfs/dbraw/zinc/72/28/97/1204722897.db2.gz CBGBCDUJMDNVSY-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000890075153 1204778001 /nfs/dbraw/zinc/77/80/01/1204778001.db2.gz BKFFZUCSYRUHTA-UHFFFAOYSA-N 1 0 344.415 2.467 20 5 EEBDRO Cc1ccc(N(C)CCCNC(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095713921 1205921863 /nfs/dbraw/zinc/92/18/63/1205921863.db2.gz QKYCNQXBVBETJF-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000931045421 1206602504 /nfs/dbraw/zinc/60/25/04/1206602504.db2.gz PWHKMFKYWWHYDW-HZMBPMFUSA-N 1 0 340.811 2.211 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000932488886 1207615184 /nfs/dbraw/zinc/61/51/84/1207615184.db2.gz OPCDNWZQQSYCNG-MWLCHTKSSA-N 1 0 346.330 2.372 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000796450894 1218209901 /nfs/dbraw/zinc/20/99/01/1218209901.db2.gz YGYVGAXJWCNGQZ-ZIAGYGMSSA-N 1 0 348.321 2.408 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020106052 1229486685 /nfs/dbraw/zinc/48/66/85/1229486685.db2.gz ZANMFICBIKFBSI-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020130374 1229500721 /nfs/dbraw/zinc/50/07/21/1229500721.db2.gz XPPBLXHVXSNKLW-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO CN(C(=O)CCC[NH+](C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096123997 1235112012 /nfs/dbraw/zinc/11/20/12/1235112012.db2.gz KVYTWEDXPBAHNX-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO O=C(CC1CC1)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096245058 1236605587 /nfs/dbraw/zinc/60/55/87/1236605587.db2.gz HBHZWDRLCRCKNO-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO O=C(NC1(C2CC[NH+](CC3CCCC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000151517 1240001880 /nfs/dbraw/zinc/00/18/80/1240001880.db2.gz XMSMXDUJLSCTSD-HZPDHXFCSA-N 1 0 335.448 2.203 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001097231004 1243856791 /nfs/dbraw/zinc/85/67/91/1243856791.db2.gz IZOSSVHPGDEXAK-BETUJISGSA-N 1 0 349.435 2.088 20 5 EEBDRO CCCN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001101147205 1245449966 /nfs/dbraw/zinc/44/99/66/1245449966.db2.gz NMRJFLZNDFRJIF-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850729869 1277317702 /nfs/dbraw/zinc/31/77/02/1277317702.db2.gz NCMGOFOTPFXSRU-SSDOTTSWSA-N 1 0 331.170 2.087 20 5 EEBDRO C[C@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000857763861 1293910754 /nfs/dbraw/zinc/91/07/54/1293910754.db2.gz AALPBQYDDUUGTD-WDEREUQCSA-N 1 0 343.330 2.071 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000120041115 1296544900 /nfs/dbraw/zinc/54/49/00/1296544900.db2.gz KXJAKPULXKOTKP-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001217956667 1297535436 /nfs/dbraw/zinc/53/54/36/1297535436.db2.gz XFHVGBNYTIBEPZ-OTSSQURYSA-N 1 0 348.140 2.329 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001218860527 1297839951 /nfs/dbraw/zinc/83/99/51/1297839951.db2.gz ZKWLQNMOJMCJEQ-WDEREUQCSA-N 1 0 339.374 2.251 20 5 EEBDRO CC(C)N(CCCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001102108968 1300322387 /nfs/dbraw/zinc/32/23/87/1300322387.db2.gz KRGWBBARUCCVSV-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C2 ZINC001226066200 1301250373 /nfs/dbraw/zinc/25/03/73/1301250373.db2.gz HJCPQHPCODQAOC-PTEHBNRSSA-N 1 0 340.401 2.002 20 5 EEBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)CC1 ZINC001226431323 1301408927 /nfs/dbraw/zinc/40/89/27/1301408927.db2.gz MZUZZQKENPLLGT-UHFFFAOYSA-N 1 0 338.360 2.253 20 5 EEBDRO COCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226470999 1301426902 /nfs/dbraw/zinc/42/69/02/1301426902.db2.gz IUHCRPPWXZXRMY-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227541436 1301875682 /nfs/dbraw/zinc/87/56/82/1301875682.db2.gz FENSSKRCLUCQJU-ILWJIGKKSA-N 1 0 326.374 2.447 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)nc1I ZINC001228568474 1302319362 /nfs/dbraw/zinc/31/93/62/1302319362.db2.gz ZBJUGUBDKFUUNN-QMMMGPOBSA-N 1 0 339.172 2.299 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656372 1302908148 /nfs/dbraw/zinc/90/81/48/1302908148.db2.gz FCJXWBCSZRYXMS-QMMMGPOBSA-N 1 0 348.140 2.282 20 5 EEBDRO CC(=O)c1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2cc(O)ccc21 ZINC001231026324 1303591290 /nfs/dbraw/zinc/59/12/90/1303591290.db2.gz VDFYAMVVWHSZQG-OAHLLOKOSA-O 1 0 346.403 2.111 20 5 EEBDRO C[C@@]1(CO)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219474 1304041937 /nfs/dbraw/zinc/04/19/37/1304041937.db2.gz URJRNUQAVSOUQY-PXNSSMCTSA-N 1 0 337.423 2.348 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799192035 1305181523 /nfs/dbraw/zinc/18/15/23/1305181523.db2.gz BAKWIGSJHHWKAW-ZDUSSCGKSA-N 1 0 326.356 2.078 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001117682119 1306142822 /nfs/dbraw/zinc/14/28/22/1306142822.db2.gz ATOZEPGTNZQSTI-KRWDZBQOSA-N 1 0 336.388 2.206 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C1 ZINC001121297777 1309973495 /nfs/dbraw/zinc/97/34/95/1309973495.db2.gz SFZSYPVUAVLESC-GFCCVEGCSA-N 1 0 348.407 2.151 20 5 EEBDRO Nc1cc(NC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001161104406 1320385007 /nfs/dbraw/zinc/38/50/07/1320385007.db2.gz RJYACPQMEQTVSK-UHFFFAOYSA-N 1 0 328.376 2.044 20 5 EEBDRO COc1nc(NC2(Cc3ccccn3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161491072 1320516664 /nfs/dbraw/zinc/51/66/64/1320516664.db2.gz DXTKCRATMVTBFO-UHFFFAOYSA-N 1 0 343.387 2.170 20 5 EEBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836316267 1314987830 /nfs/dbraw/zinc/98/78/30/1314987830.db2.gz OUOSAQRMOXWGCN-WFASDCNBSA-N 1 0 332.404 2.439 20 5 EEBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839633605 1315223196 /nfs/dbraw/zinc/22/31/96/1315223196.db2.gz JWCZHMPXGKDDLV-IAGOWNOFSA-N 1 0 331.416 2.022 20 5 EEBDRO CC(C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000840891369 1315428670 /nfs/dbraw/zinc/42/86/70/1315428670.db2.gz RNACICFQXGMOFL-ZDUSSCGKSA-N 1 0 334.420 2.066 20 5 EEBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000841161505 1315492837 /nfs/dbraw/zinc/49/28/37/1315492837.db2.gz MFSXEMGBKYQDQN-VIFPVBQESA-N 1 0 343.181 2.183 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232119 1315510483 /nfs/dbraw/zinc/51/04/83/1315510483.db2.gz ASBGTSNVWIBLEP-IUCAKERBSA-N 1 0 330.747 2.412 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841856586 1315624661 /nfs/dbraw/zinc/62/46/61/1315624661.db2.gz SSQPMDLTWCLMQI-NSHDSACASA-N 1 0 326.784 2.142 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842615407 1315732455 /nfs/dbraw/zinc/73/24/55/1315732455.db2.gz MEXSFCQKCZWSDY-CHWSQXEVSA-N 1 0 347.371 2.351 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000842617871 1315733823 /nfs/dbraw/zinc/73/38/23/1315733823.db2.gz RIPLMOATPGBXEF-GXTWGEPZSA-N 1 0 347.371 2.351 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2)c1 ZINC000843068840 1315834048 /nfs/dbraw/zinc/83/40/48/1315834048.db2.gz NFGHHOXHZMFZSN-CRAIPNDOSA-N 1 0 330.384 2.069 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000843185129 1315861127 /nfs/dbraw/zinc/86/11/27/1315861127.db2.gz LAPOQSYCFFSUBM-GFCCVEGCSA-N 1 0 331.376 2.175 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000843185463 1315861948 /nfs/dbraw/zinc/86/19/48/1315861948.db2.gz VRBYKLYWBIGVBK-LBPRGKRZSA-N 1 0 331.376 2.317 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843347760 1315895303 /nfs/dbraw/zinc/89/53/03/1315895303.db2.gz ZCBIGQBYTDVXGW-NSHDSACASA-N 1 0 340.811 2.118 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843354234 1315898356 /nfs/dbraw/zinc/89/83/56/1315898356.db2.gz WBIHENVXXNDPLC-NRUUGDAUSA-N 1 0 340.811 2.244 20 5 EEBDRO COc1cccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001149771640 1316040415 /nfs/dbraw/zinc/04/04/15/1316040415.db2.gz XBKAICNDQXYECW-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO N[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CCC[NH2+]C1 ZINC001249229577 1317030318 /nfs/dbraw/zinc/03/03/18/1317030318.db2.gz YKBMGJASDICCKM-IBGZPJMESA-N 1 0 346.394 2.370 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155035035 1317427548 /nfs/dbraw/zinc/42/75/48/1317427548.db2.gz ZYCRFDQGDMSAMF-NEPJUHHUSA-N 1 0 336.392 2.214 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155522263 1317634016 /nfs/dbraw/zinc/63/40/16/1317634016.db2.gz FAPQSQNLHISBCK-SOCHQFKDSA-N 1 0 347.202 2.333 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc21 ZINC001155522179 1317634078 /nfs/dbraw/zinc/63/40/78/1317634078.db2.gz DFYVGTIFWSFRLT-UMVBOHGHSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527870 1317639620 /nfs/dbraw/zinc/63/96/20/1317639620.db2.gz SAQUWDHHWMQGPI-XJKCOSOUSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2c1 ZINC001155544804 1317645093 /nfs/dbraw/zinc/64/50/93/1317645093.db2.gz CLGXHFHNXQDRBZ-RFAUZJTJSA-N 1 0 334.763 2.339 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CN4CCC3CC4)CC2)cc1 ZINC001254465410 1318081368 /nfs/dbraw/zinc/08/13/68/1318081368.db2.gz YTHJMXPQEIIUOH-SFHVURJKSA-N 1 0 330.432 2.247 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001254548248 1318117959 /nfs/dbraw/zinc/11/79/59/1318117959.db2.gz MHQGGYHLVIPVIY-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO CC1=NC2(CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254571609 1318126299 /nfs/dbraw/zinc/12/62/99/1318126299.db2.gz YVBVBSQQHFFQNT-CYBMUJFWSA-N 1 0 344.415 2.251 20 5 EEBDRO COC(=O)c1cccc(C(=[NH2+])N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580283 1318129173 /nfs/dbraw/zinc/12/91/73/1318129173.db2.gz DDPPCWZIBVPDFR-HNNXBMFYSA-N 1 0 339.351 2.464 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001254888237 1318218590 /nfs/dbraw/zinc/21/85/90/1318218590.db2.gz BFEUMFVZKJCDAG-OLZOCXBDSA-N 1 0 327.331 2.476 20 5 EEBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C1 ZINC001157021363 1318350721 /nfs/dbraw/zinc/35/07/21/1318350721.db2.gz OJCGPXZVUMWONZ-PMGBHYCQSA-N 1 0 333.436 2.441 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(-n2nc(C3CC[NH2+]CC3)c3ccccc32)c1 ZINC001157376272 1318587718 /nfs/dbraw/zinc/58/77/18/1318587718.db2.gz PRUQKFGDJAAEAI-UHFFFAOYSA-N 1 0 339.355 2.034 20 5 EEBDRO C[NH2+]CCN(c1ncnc2cc(OC)c([N+](=O)[O-])cc21)C(C)(C)C ZINC001157829723 1318892207 /nfs/dbraw/zinc/89/22/07/1318892207.db2.gz FNGCCVCJUWZSSK-UHFFFAOYSA-N 1 0 333.392 2.371 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@H+](CC)CC2(C)C)c1[N+](=O)[O-] ZINC001158569819 1319312078 /nfs/dbraw/zinc/31/20/78/1319312078.db2.gz ZLMMCTFMYZKSCL-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO COCCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159564427 1319892892 /nfs/dbraw/zinc/89/28/92/1319892892.db2.gz KJLGYAVLPVVPPT-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NC3CCN([C@H]4CC[NH2+]C4)CC3)nc21 ZINC001161463813 1320508546 /nfs/dbraw/zinc/50/85/46/1320508546.db2.gz GQOFFQOZRLNCFS-HNNXBMFYSA-N 1 0 341.415 2.381 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1ccc(F)cc1 ZINC001161880624 1320659294 /nfs/dbraw/zinc/65/92/94/1320659294.db2.gz LWNUAWCANHJLQO-UHFFFAOYSA-N 1 0 348.334 2.402 20 5 EEBDRO COC(=O)c1ccnc(NC[C@]2(CC3CC3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001162350593 1320833799 /nfs/dbraw/zinc/83/37/99/1320833799.db2.gz KWYAFIYENASYIJ-MRXNPFEDSA-N 1 0 334.376 2.111 20 5 EEBDRO COc1nc(-n2cncc2-c2cccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001162562284 1320898629 /nfs/dbraw/zinc/89/86/29/1320898629.db2.gz MVBVNBQDQNDDFP-UHFFFAOYSA-N 1 0 325.328 2.310 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162802840 1320962666 /nfs/dbraw/zinc/96/26/66/1320962666.db2.gz VYSYOGGPABEEND-BQBZGAKWSA-N 1 0 335.792 2.120 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001162854408 1320975197 /nfs/dbraw/zinc/97/51/97/1320975197.db2.gz SUWFNYPRCKICIK-CYBMUJFWSA-N 1 0 327.340 2.403 20 5 EEBDRO COc1cc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001163325693 1321098528 /nfs/dbraw/zinc/09/85/28/1321098528.db2.gz XHQPKWRRAULVFP-BONVTDFDSA-N 1 0 325.340 2.066 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCc1cccc(C[NH+](C)C)c1 ZINC001163998345 1321267383 /nfs/dbraw/zinc/26/73/83/1321267383.db2.gz FSTHSRDSQUJGEB-UHFFFAOYSA-N 1 0 344.371 2.450 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165091021 1321453437 /nfs/dbraw/zinc/45/34/37/1321453437.db2.gz YJBZDEDMZBHMDS-PBHICJAKSA-N 1 0 339.399 2.283 20 5 EEBDRO CC(C)[N@@H+]1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001165200028 1321470247 /nfs/dbraw/zinc/47/02/47/1321470247.db2.gz SKPGVYAHCDOXID-AFNCTOJWSA-N 1 0 333.436 2.441 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001318330125 1332511109 /nfs/dbraw/zinc/51/11/09/1332511109.db2.gz BZOUOXSVZUXCKT-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CNc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320495063 1332897050 /nfs/dbraw/zinc/89/70/50/1332897050.db2.gz DZOBPXATTSROQX-LBPRGKRZSA-N 1 0 329.360 2.496 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001321744297 1333151859 /nfs/dbraw/zinc/15/18/59/1333151859.db2.gz RFHGHUKEBNWHRY-GJZGRUSLSA-N 1 0 349.435 2.179 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001609095835 1351841167 /nfs/dbraw/zinc/84/11/67/1351841167.db2.gz SFULMOHYFABCIG-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001609113897 1351849344 /nfs/dbraw/zinc/84/93/44/1351849344.db2.gz LOPPIBOWGXFZBP-GFCCVEGCSA-N 1 0 345.407 2.309 20 5 EEBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001324356056 1333664881 /nfs/dbraw/zinc/66/48/81/1333664881.db2.gz FJWLJRYFYHYNOA-NSHDSACASA-N 1 0 337.351 2.053 20 5 EEBDRO O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC001326018711 1334015401 /nfs/dbraw/zinc/01/54/01/1334015401.db2.gz PSPXDLDFMUXJBY-UHFFFAOYSA-N 1 0 341.367 2.072 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001326571864 1334117663 /nfs/dbraw/zinc/11/76/63/1334117663.db2.gz KXSAHWASXKDACP-ZIAGYGMSSA-N 1 0 349.387 2.163 20 5 EEBDRO COC[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319587 1351932126 /nfs/dbraw/zinc/93/21/26/1351932126.db2.gz GZTJIDOQDXRHIB-LBPRGKRZSA-N 1 0 346.391 2.023 20 5 EEBDRO O=C(c1ccc2c(c1)C[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329282104 1334619644 /nfs/dbraw/zinc/61/96/44/1334619644.db2.gz NVCPTLSGYQGOBB-UHFFFAOYSA-N 1 0 337.379 2.439 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333603173 1336084980 /nfs/dbraw/zinc/08/49/80/1336084980.db2.gz ABTKHZZWXBVDKH-CQSZACIVSA-N 1 0 332.404 2.493 20 5 EEBDRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001338055345 1336782936 /nfs/dbraw/zinc/78/29/36/1336782936.db2.gz DTBDPBBNMAJFQT-ZDUSSCGKSA-N 1 0 338.456 2.101 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC001338100311 1336791705 /nfs/dbraw/zinc/79/17/05/1336791705.db2.gz ZOSDLJRUUICOPX-UHFFFAOYSA-N 1 0 336.436 2.217 20 5 EEBDRO Cn1c2ccccc2c(NC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1=O ZINC001339857818 1337085983 /nfs/dbraw/zinc/08/59/83/1337085983.db2.gz RXMXNTJYNZXQIJ-GFCCVEGCSA-N 1 0 330.388 2.343 20 5 EEBDRO Cc1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc([N+](=O)[O-])c1 ZINC001579635681 1344401616 /nfs/dbraw/zinc/40/16/16/1344401616.db2.gz ZGRBRBUJACKHLV-CQSZACIVSA-N 1 0 329.360 2.277 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579733771 1344410219 /nfs/dbraw/zinc/41/02/19/1344410219.db2.gz CEMMTOYIVDZGAU-CYBMUJFWSA-N 1 0 348.403 2.278 20 5 EEBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001580207440 1344490344 /nfs/dbraw/zinc/49/03/44/1344490344.db2.gz UKJVWPXUJPCJBT-AWEZNQCLSA-N 1 0 329.331 2.193 20 5 EEBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC001580277680 1344505453 /nfs/dbraw/zinc/50/54/53/1344505453.db2.gz XXFNUBVNIDWRFG-CBAPKCEASA-N 1 0 334.254 2.076 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590260757 1349236783 /nfs/dbraw/zinc/23/67/83/1349236783.db2.gz RVCAGJCTDYFNAB-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001590470460 1349344388 /nfs/dbraw/zinc/34/43/88/1349344388.db2.gz QIJFDWUAZLBBJD-AWEZNQCLSA-N 1 0 346.391 2.070 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286249377 1369748549 /nfs/dbraw/zinc/74/85/49/1369748549.db2.gz PATUHXSNVQBKGV-ZACCUICWSA-N 1 0 336.367 2.013 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000828833524 1372252783 /nfs/dbraw/zinc/25/27/83/1372252783.db2.gz HFYVDVSSDCSVGY-NSHDSACASA-N 1 0 338.383 2.014 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839536976 1372909048 /nfs/dbraw/zinc/90/90/48/1372909048.db2.gz RGYIVLXJZXEZNB-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000848495843 1373154335 /nfs/dbraw/zinc/15/43/35/1373154335.db2.gz QXWNOAHQYPZUSF-UHFFFAOYSA-N 1 0 348.403 2.266 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)CC2 ZINC001575522560 1403552502 /nfs/dbraw/zinc/55/25/02/1403552502.db2.gz KXSMQZGWVZTBID-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC001576085244 1403559835 /nfs/dbraw/zinc/55/98/35/1403559835.db2.gz JPBPMMTXKMSSKV-FAJBIJEISA-N 1 0 337.379 2.223 20 5 EEBDRO CN(CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC001578436620 1403756543 /nfs/dbraw/zinc/75/65/43/1403756543.db2.gz GJDHOJXFAHJWQJ-LSDHHAIUSA-N 1 0 340.383 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000590684553 721925588 /nfs/dbraw/zinc/92/55/88/721925588.db2.gz QUYSABJEPUAQMY-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104407633 760341811 /nfs/dbraw/zinc/34/18/11/760341811.db2.gz ZUUQVEMOSXBHOL-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000068116574 774199203 /nfs/dbraw/zinc/19/92/03/774199203.db2.gz OQBVRDRLFLZWRI-PXAZEXFGSA-N 1 0 334.420 2.417 20 5 EEBDRO O=C(c1cocn1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997600495 790392820 /nfs/dbraw/zinc/39/28/20/790392820.db2.gz CRRTULXUWLBJCN-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000818005573 785161523 /nfs/dbraw/zinc/16/15/23/785161523.db2.gz SCGCRCSWLQSTHY-CYBMUJFWSA-N 1 0 329.759 2.126 20 5 EEBDRO C[N+](C)(C)CCO[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC001224775755 785174632 /nfs/dbraw/zinc/17/46/32/785174632.db2.gz OHTFRIKALPNJPO-CYBMUJFWSA-N 1 0 329.262 2.146 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818650183 785313967 /nfs/dbraw/zinc/31/39/67/785313967.db2.gz GSZIPCKAQDCINZ-CHWSQXEVSA-N 1 0 326.784 2.317 20 5 EEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000818942881 785334646 /nfs/dbraw/zinc/33/46/46/785334646.db2.gz LIJQXNRVHSQZNK-RTBURBONSA-N 1 0 343.427 2.391 20 5 EEBDRO COCCOc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818956954 785343533 /nfs/dbraw/zinc/34/35/33/785343533.db2.gz CTGRJYCKMCJHCS-GOSISDBHSA-N 1 0 346.383 2.443 20 5 EEBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819015852 785383362 /nfs/dbraw/zinc/38/33/62/785383362.db2.gz BQPFEDOVKYRRDC-GOSISDBHSA-N 1 0 343.383 2.419 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000819070314 785411569 /nfs/dbraw/zinc/41/15/69/785411569.db2.gz ZDYRRTPLPYNZGR-QGZVFWFLSA-N 1 0 328.368 2.395 20 5 EEBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819112626 785430312 /nfs/dbraw/zinc/43/03/12/785430312.db2.gz GHFOESORRUGSBA-UXIGCNINSA-N 1 0 326.418 2.208 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000819177442 785449554 /nfs/dbraw/zinc/44/95/54/785449554.db2.gz SZNZTQCFIVBKAQ-CYBMUJFWSA-N 1 0 344.293 2.133 20 5 EEBDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190825 785455618 /nfs/dbraw/zinc/45/56/18/785455618.db2.gz LAJYWTNBGZBRMI-KRWDZBQOSA-N 1 0 332.404 2.276 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001109576487 805707227 /nfs/dbraw/zinc/70/72/27/805707227.db2.gz IQBFONRFQILOGJ-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107280802 786700799 /nfs/dbraw/zinc/70/07/99/786700799.db2.gz VDMJWYBZMJWWPV-WAYWQWQTSA-N 1 0 334.420 2.329 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107280691 786700878 /nfs/dbraw/zinc/70/08/78/786700878.db2.gz RRDHGQJJLWXSER-AATRIKPKSA-N 1 0 334.420 2.329 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001107275084 786720063 /nfs/dbraw/zinc/72/00/63/786720063.db2.gz OFDLXZSJUGFFKL-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO C[C@@H]1[C@H]2CC[N@@H+]1C[C@H](Nc1ccc([N+](=O)[O-])c3c1CCN(C)C3)C2 ZINC001170978885 787056741 /nfs/dbraw/zinc/05/67/41/787056741.db2.gz DEAFYBLHUACVJG-HZSPNIEDSA-N 1 0 330.432 2.477 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001107379297 787068789 /nfs/dbraw/zinc/06/87/89/787068789.db2.gz FPZZRBFTCWIZTR-PLNGDYQASA-N 1 0 346.431 2.472 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107474317 787347204 /nfs/dbraw/zinc/34/72/04/787347204.db2.gz QXWDNIWVGHCQEA-SNAWJCMRSA-N 1 0 334.420 2.329 20 5 EEBDRO CC(C)(CCC(=O)Nc1cccc(CN2CCOCC2)c1)[N+](=O)[O-] ZINC000822743125 787363546 /nfs/dbraw/zinc/36/35/46/787363546.db2.gz JRTXXLTWPZXQGW-UHFFFAOYSA-N 1 0 335.404 2.293 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000822789994 787380715 /nfs/dbraw/zinc/38/07/15/787380715.db2.gz BJNHEALTWICVNL-BDJLRTHQSA-N 1 0 329.360 2.099 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823276420 787652111 /nfs/dbraw/zinc/65/21/11/787652111.db2.gz QSGWWHXOKCBNSI-QMCVQRASSA-N 1 0 329.400 2.251 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203456004 787991801 /nfs/dbraw/zinc/99/18/01/787991801.db2.gz NRFPPFRUICABJO-UHFFFAOYSA-N 1 0 348.447 2.017 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003009 787996696 /nfs/dbraw/zinc/99/66/96/787996696.db2.gz LHWPEFIQFRMKHE-NWDGAFQWSA-N 1 0 335.408 2.419 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000150935701 788430582 /nfs/dbraw/zinc/43/05/82/788430582.db2.gz XLPJHFNQZWHJNO-INIZCTEOSA-N 1 0 332.404 2.256 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825368273 788594922 /nfs/dbraw/zinc/59/49/22/788594922.db2.gz SYKYBSOILDVFFZ-HNNXBMFYSA-N 1 0 335.404 2.007 20 5 EEBDRO COc1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000913392761 788848982 /nfs/dbraw/zinc/84/89/82/788848982.db2.gz DKEIPJVKMWBULM-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO COc1nc(-n2c(CC[NH3+])cc3ccccc32)nc(C)c1[N+](=O)[O-] ZINC001171300638 791754966 /nfs/dbraw/zinc/75/49/66/791754966.db2.gz CPQSANUJKGBCSJ-UHFFFAOYSA-N 1 0 327.344 2.147 20 5 EEBDRO COCC[N@H+](CC(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172894714 791788947 /nfs/dbraw/zinc/78/89/47/791788947.db2.gz FTSJSXXVASLLPN-UHFFFAOYSA-N 1 0 333.392 2.415 20 5 EEBDRO COCc1ccsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147743356 791940734 /nfs/dbraw/zinc/94/07/34/791940734.db2.gz GGNXWMRWRMAMED-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO O=C(CCc1ccccc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148825853 792702111 /nfs/dbraw/zinc/70/21/11/792702111.db2.gz NCEXBJAWTDQIQV-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110148425 795619422 /nfs/dbraw/zinc/61/94/22/795619422.db2.gz AHDPOFIRLXIWST-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO Cc1nc(NCCNC(=O)CC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001094007116 795854749 /nfs/dbraw/zinc/85/47/49/795854749.db2.gz HJIPJVTZBSQPGR-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NC1CCCC1 ZINC001172898120 797127528 /nfs/dbraw/zinc/12/75/28/797127528.db2.gz GRARNBYYRRNTCW-HNNXBMFYSA-N 1 0 331.416 2.491 20 5 EEBDRO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173177475 797278063 /nfs/dbraw/zinc/27/80/63/797278063.db2.gz ARPNNRANIJFSJR-NWDGAFQWSA-N 1 0 325.384 2.357 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180668 797278506 /nfs/dbraw/zinc/27/85/06/797278506.db2.gz YNDLGILMWVXSKF-JTQLQIEISA-N 1 0 342.367 2.462 20 5 EEBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173224588 797308562 /nfs/dbraw/zinc/30/85/62/797308562.db2.gz NXKUEXAICXQPBW-FVQBIDKESA-N 1 0 349.431 2.189 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001173229963 797310964 /nfs/dbraw/zinc/31/09/64/797310964.db2.gz CIQUBUYXYUFVDX-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001173237167 797322629 /nfs/dbraw/zinc/32/26/29/797322629.db2.gz INUSATZKKXLXTL-UNEWFSDZSA-N 1 0 331.416 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000916967669 798003179 /nfs/dbraw/zinc/00/31/79/798003179.db2.gz UJSISICWUXFHTI-LSDHHAIUSA-N 1 0 338.310 2.230 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cscn1 ZINC001002434943 798071525 /nfs/dbraw/zinc/07/15/25/798071525.db2.gz POVAOMMBQPKEMM-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO C[NH+](C)CCC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089995190 799451033 /nfs/dbraw/zinc/45/10/33/799451033.db2.gz JHGUGOLGGVFDLS-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC001151447601 802305912 /nfs/dbraw/zinc/30/59/12/802305912.db2.gz AFQOQIUFLKEADY-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001168976309 803542345 /nfs/dbraw/zinc/54/23/45/803542345.db2.gz CNSCSERKFORBBK-OLZOCXBDSA-N 1 0 327.425 2.421 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168960245 803549884 /nfs/dbraw/zinc/54/98/84/803549884.db2.gz FIDZUFWAPQIWJT-XIRDDKMYSA-N 1 0 345.443 2.151 20 5 EEBDRO COc1nc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168992923 803560757 /nfs/dbraw/zinc/56/07/57/803560757.db2.gz LKRLSIZUINUSCX-MWLCHTKSSA-N 1 0 344.209 2.388 20 5 EEBDRO COc1cccnc1C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997562 803563450 /nfs/dbraw/zinc/56/34/50/803563450.db2.gz DLNUBCORKZLAOD-GJZGRUSLSA-N 1 0 349.431 2.173 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCCN1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988010 803572419 /nfs/dbraw/zinc/57/24/19/803572419.db2.gz MNVNBMJWJAZATD-ILXRZTDVSA-N 1 0 341.452 2.175 20 5 EEBDRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991321 803574206 /nfs/dbraw/zinc/57/42/06/803574206.db2.gz GHYIZQMJAXXNAB-UKRRQHHQSA-N 1 0 349.406 2.465 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001169043731 803584621 /nfs/dbraw/zinc/58/46/21/803584621.db2.gz HNSKPFKEQCUNJC-DZGCQCFKSA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018709 803587299 /nfs/dbraw/zinc/58/72/99/803587299.db2.gz CDFKFSYNUWBQFN-RDGPPVDQSA-N 1 0 344.459 2.281 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCn3cnc(COCC4CC4)c3C2)C1 ZINC001169024195 803590003 /nfs/dbraw/zinc/59/00/03/803590003.db2.gz QLHHBPKLUALOJL-CVEARBPZSA-N 1 0 348.447 2.461 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccsc1 ZINC001169026430 803592419 /nfs/dbraw/zinc/59/24/19/803592419.db2.gz WYYUTOXDXCISEF-COMQUAJESA-N 1 0 335.429 2.088 20 5 EEBDRO Cc1cc(C)nc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169048280 803594452 /nfs/dbraw/zinc/59/44/52/803594452.db2.gz UDQWYXXVBGQRLE-HOCLYGCPSA-N 1 0 333.436 2.097 20 5 EEBDRO CCOc1cnc(-n2cc(CC[NH3+])c3ncccc32)c([N+](=O)[O-])c1 ZINC001169702919 803973990 /nfs/dbraw/zinc/97/39/90/803973990.db2.gz MHFPIPSXILOAST-UHFFFAOYSA-N 1 0 327.344 2.229 20 5 EEBDRO Cc1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000867011437 804174354 /nfs/dbraw/zinc/17/43/54/804174354.db2.gz QGCUZXSNAQJCIX-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000787574415 807156263 /nfs/dbraw/zinc/15/62/63/807156263.db2.gz UJKOYZKPFFBBAD-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000790902716 808989322 /nfs/dbraw/zinc/98/93/22/808989322.db2.gz OLDRIHYPUVMTOC-SNVBAGLBSA-N 1 0 343.786 2.482 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170346334 809916074 /nfs/dbraw/zinc/91/60/74/809916074.db2.gz NGQSJCPLMRJLQZ-WFASDCNBSA-N 1 0 335.404 2.135 20 5 EEBDRO Cc1nc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001130273515 811387131 /nfs/dbraw/zinc/38/71/31/811387131.db2.gz UFVRSTFHAUAFTR-UHFFFAOYSA-N 1 0 348.428 2.117 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807786973 812346074 /nfs/dbraw/zinc/34/60/74/812346074.db2.gz NFURFBUNWNPQPK-HNNXBMFYSA-N 1 0 346.362 2.349 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001521739903 1119274211 /nfs/dbraw/zinc/27/42/11/1119274211.db2.gz HTOSPHBEQMRLKI-SNVBAGLBSA-N 1 0 341.458 2.142 20 5 EEBDRO C[C@@H](c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001527142575 1120689946 /nfs/dbraw/zinc/68/99/46/1120689946.db2.gz QHBDDWGNNDWQKO-ZDUSSCGKSA-N 1 0 348.451 2.090 20 5 EEBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171730864 529466996 /nfs/dbraw/zinc/46/69/96/529466996.db2.gz LOBOVOKOPFWAIE-LLVKDONJSA-N 1 0 337.424 2.121 20 5 EEBDRO C[C@@](CO)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000174793959 231313001 /nfs/dbraw/zinc/31/30/01/231313001.db2.gz UTCZEJKHEITNSG-KRWDZBQOSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175077529 231380612 /nfs/dbraw/zinc/38/06/12/231380612.db2.gz WYQSKXMWVQWBDO-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000174339492 529598084 /nfs/dbraw/zinc/59/80/84/529598084.db2.gz GNKIWDZOKOVZEZ-CJNGLKHVSA-N 1 0 349.431 2.074 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187190401 282255788 /nfs/dbraw/zinc/25/57/88/282255788.db2.gz CLKHLCUTCRTZCL-RISCZKNCSA-N 1 0 345.403 2.058 20 5 EEBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000154995296 529852660 /nfs/dbraw/zinc/85/26/60/529852660.db2.gz NNEDQECMBBHAFB-NSHDSACASA-N 1 0 347.375 2.164 20 5 EEBDRO C[N@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000183578521 529915287 /nfs/dbraw/zinc/91/52/87/529915287.db2.gz IUNGKLJUPGQJQG-UHFFFAOYSA-N 1 0 329.360 2.243 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418791844 529935106 /nfs/dbraw/zinc/93/51/06/529935106.db2.gz NEMKTGGFQOANRU-ARFHVFGLSA-N 1 0 346.431 2.167 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000101958561 219175142 /nfs/dbraw/zinc/17/51/42/219175142.db2.gz JUJHDLRAZKFAMF-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000190303416 238373956 /nfs/dbraw/zinc/37/39/56/238373956.db2.gz INYWRMNHCFVGAO-UHFFFAOYSA-N 1 0 347.444 2.281 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414944021 238757555 /nfs/dbraw/zinc/75/75/55/238757555.db2.gz GDQINCPHHULFED-QMMMGPOBSA-N 1 0 330.291 2.009 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000420290107 239720532 /nfs/dbraw/zinc/72/05/32/239720532.db2.gz UIDKZRFLWPXCGC-BDAKNGLRSA-N 1 0 329.198 2.104 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420368457 239783012 /nfs/dbraw/zinc/78/30/12/239783012.db2.gz ARZUUSZBIMTEEP-QGZVFWFLSA-N 1 0 342.399 2.474 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CCC[NH+](C)C ZINC000192942218 239948654 /nfs/dbraw/zinc/94/86/54/239948654.db2.gz TXSCKPKMOYUURA-UHFFFAOYSA-N 1 0 343.449 2.120 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000422856523 240261232 /nfs/dbraw/zinc/26/12/32/240261232.db2.gz FOILBYSVVRERSD-SNVBAGLBSA-N 1 0 329.809 2.194 20 5 EEBDRO Cc1nnsc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426325096 241255461 /nfs/dbraw/zinc/25/54/61/241255461.db2.gz TWCJKAVZXSJXSU-VIFPVBQESA-N 1 0 335.389 2.262 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000236676171 242317711 /nfs/dbraw/zinc/31/77/11/242317711.db2.gz ZRQKDEQKVDOIBM-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451699147 243210751 /nfs/dbraw/zinc/21/07/51/243210751.db2.gz UJILYQFOWGKSNG-VMUDFCTBSA-N 1 0 347.415 2.405 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750002 245235288 /nfs/dbraw/zinc/23/52/88/245235288.db2.gz HFRNLVNQIGWREX-CABCVRRESA-N 1 0 333.388 2.389 20 5 EEBDRO CN(CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000079824304 217255947 /nfs/dbraw/zinc/25/59/47/217255947.db2.gz MBSTUOOTDNQRIG-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449683208 296208536 /nfs/dbraw/zinc/20/85/36/296208536.db2.gz YGVNAAHBCAVCBE-SNVBAGLBSA-N 1 0 341.795 2.355 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000491477830 246043610 /nfs/dbraw/zinc/04/36/10/246043610.db2.gz IBRKHOKURKTOJQ-VOKGJARPSA-N 1 0 333.363 2.444 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265103330 247204984 /nfs/dbraw/zinc/20/49/84/247204984.db2.gz YGDLMDQCWKTPGN-OAHLLOKOSA-N 1 0 334.372 2.249 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265139215 247240035 /nfs/dbraw/zinc/24/00/35/247240035.db2.gz BDGJEIUTHWGAIS-AWEZNQCLSA-N 1 0 328.372 2.317 20 5 EEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266142354 248127296 /nfs/dbraw/zinc/12/72/96/248127296.db2.gz HQFQFIPYPZOIMR-UHFFFAOYSA-N 1 0 334.376 2.448 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000266445733 248304972 /nfs/dbraw/zinc/30/49/72/248304972.db2.gz WRPDUSWQEQRPQR-WDEREUQCSA-N 1 0 345.346 2.088 20 5 EEBDRO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000154275546 224230293 /nfs/dbraw/zinc/23/02/93/224230293.db2.gz YEGDYCPLEIOQHU-ZWKOTPCHSA-N 1 0 346.383 2.302 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087087196 255753998 /nfs/dbraw/zinc/75/39/98/255753998.db2.gz ODNFEVZPMRHMRX-ZDUSSCGKSA-N 1 0 334.420 2.393 20 5 EEBDRO C[NH+](C)CCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118868171 221199230 /nfs/dbraw/zinc/19/92/30/221199230.db2.gz XCGXGVVZRXGFDD-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO COc1cc(NCC2([NH+](C)C)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000270501789 256142065 /nfs/dbraw/zinc/14/20/65/256142065.db2.gz GLXUYASTHBIVGD-UHFFFAOYSA-N 1 0 327.356 2.265 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000273272002 256282807 /nfs/dbraw/zinc/28/28/07/256282807.db2.gz GPXWJDWHLZEUIJ-NWDGAFQWSA-N 1 0 331.376 2.315 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273327157 256287458 /nfs/dbraw/zinc/28/74/58/256287458.db2.gz YGNLXGSLVYEMNV-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@H]1C1CC1 ZINC000273043696 256259914 /nfs/dbraw/zinc/25/99/14/256259914.db2.gz IZWTWSPCQJAEIE-ROUUACIJSA-N 1 0 345.399 2.031 20 5 EEBDRO CCCC[C@H](COC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273439917 256296648 /nfs/dbraw/zinc/29/66/48/256296648.db2.gz MOWBIRKESRCSFI-CYBMUJFWSA-N 1 0 344.433 2.163 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356620025 141027252 /nfs/dbraw/zinc/02/72/52/141027252.db2.gz IHGSZTHHUFPMTN-UONOGXRCSA-N 1 0 349.435 2.055 20 5 EEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000171504992 143837134 /nfs/dbraw/zinc/83/71/34/143837134.db2.gz GAKNITWKFHMFQB-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593393 159120289 /nfs/dbraw/zinc/12/02/89/159120289.db2.gz MQIPTTSBWRDEBR-LBPRGKRZSA-N 1 0 337.424 2.121 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000110260462 159357563 /nfs/dbraw/zinc/35/75/63/159357563.db2.gz ZCCVDFWFVZXBCD-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO Cc1c(C(=O)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000237783923 160225161 /nfs/dbraw/zinc/22/51/61/160225161.db2.gz XDPLMEQTTQRNNU-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245395342 160230906 /nfs/dbraw/zinc/23/09/06/160230906.db2.gz HNIKWDRUFFWLPO-XJKSGUPXSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245699985 160248442 /nfs/dbraw/zinc/24/84/42/160248442.db2.gz NCVVFRRLJXSEFK-CZUORRHYSA-N 1 0 331.372 2.423 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341690923 161005577 /nfs/dbraw/zinc/00/55/77/161005577.db2.gz WTVZKGNADPAZRU-OAGGEKHMSA-N 1 0 348.447 2.094 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000342213130 161048154 /nfs/dbraw/zinc/04/81/54/161048154.db2.gz WGQGWPJOJOEELO-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342518376 161071276 /nfs/dbraw/zinc/07/12/76/161071276.db2.gz OAIZKEKRQXQYPB-MNOVXSKESA-N 1 0 341.358 2.405 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@H]1C ZINC000342850817 161095663 /nfs/dbraw/zinc/09/56/63/161095663.db2.gz CBAUJZLYYJOQPV-MNOVXSKESA-N 1 0 338.383 2.309 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000344750424 161242734 /nfs/dbraw/zinc/24/27/34/161242734.db2.gz VHQZPHJMDXNUFA-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345518795 161308037 /nfs/dbraw/zinc/30/80/37/161308037.db2.gz KKSVGXPQPJIMNU-KGLIPLIRSA-N 1 0 334.420 2.261 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000345852251 161337483 /nfs/dbraw/zinc/33/74/83/161337483.db2.gz ANTWRKMSBGWCFI-LBPRGKRZSA-N 1 0 337.424 2.265 20 5 EEBDRO CSCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352504543 162162863 /nfs/dbraw/zinc/16/28/63/162162863.db2.gz REJJCAGTVAVKPI-FZMZJTMJSA-N 1 0 325.434 2.455 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000352788932 162287513 /nfs/dbraw/zinc/28/75/13/162287513.db2.gz BGOZCCVRAMJQSA-ZWNOBZJWSA-N 1 0 339.417 2.273 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000357804734 163757054 /nfs/dbraw/zinc/75/70/54/163757054.db2.gz MEIXOTUHULFDNK-ZDUSSCGKSA-N 1 0 334.420 2.300 20 5 EEBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)cc1[N+](=O)[O-] ZINC000359892783 164191785 /nfs/dbraw/zinc/19/17/85/164191785.db2.gz BCQZJJGUPBDCRS-LBPRGKRZSA-N 1 0 338.383 2.042 20 5 EEBDRO COc1cc(C[NH+]2CCC([C@H](C)NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000360629079 164354908 /nfs/dbraw/zinc/35/49/08/164354908.db2.gz KQBBKKDPGZXHBZ-LBPRGKRZSA-N 1 0 335.404 2.340 20 5 EEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360654125 164359137 /nfs/dbraw/zinc/35/91/37/164359137.db2.gz SNEKLJCIPLVMMW-KOLCDFICSA-N 1 0 347.824 2.009 20 5 EEBDRO COC[C@H]1CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000364151372 165034581 /nfs/dbraw/zinc/03/45/81/165034581.db2.gz ROWCHYDYUMJOKI-AWEZNQCLSA-N 1 0 347.415 2.232 20 5 EEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122849314 222171855 /nfs/dbraw/zinc/17/18/55/222171855.db2.gz PRXUOUXBLJUEQZ-LLVKDONJSA-N 1 0 342.827 2.172 20 5 EEBDRO CC[NH2+]Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000123056503 222207479 /nfs/dbraw/zinc/20/74/79/222207479.db2.gz URPZIUMTTOCENX-UHFFFAOYSA-N 1 0 331.376 2.238 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262057197 299852718 /nfs/dbraw/zinc/85/27/18/299852718.db2.gz XVGDBSCVNQJBJQ-ZFWWWQNUSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000272350725 268959230 /nfs/dbraw/zinc/95/92/30/268959230.db2.gz YCTQQQHBESUVSZ-GXTWGEPZSA-N 1 0 332.404 2.004 20 5 EEBDRO Cn1ccnc1[C@H]([NH2+]CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272497549 268983088 /nfs/dbraw/zinc/98/30/88/268983088.db2.gz GGKDYIDLRLTCSS-MRXNPFEDSA-N 1 0 330.388 2.434 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000277357310 269149819 /nfs/dbraw/zinc/14/98/19/269149819.db2.gz BRLNFBIAZJNKSS-KWQFWETISA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279897088 269313966 /nfs/dbraw/zinc/31/39/66/269313966.db2.gz DHXBZIBDISRIDM-SUMWQHHRSA-N 1 0 335.404 2.467 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCn3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000280264839 269344821 /nfs/dbraw/zinc/34/48/21/269344821.db2.gz QDENSANVZRMXIG-UHFFFAOYSA-N 1 0 345.403 2.012 20 5 EEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000286923867 274919062 /nfs/dbraw/zinc/91/90/62/274919062.db2.gz IQAJAVHBHIOPHA-NSHDSACASA-N 1 0 341.433 2.013 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289340240 275110420 /nfs/dbraw/zinc/11/04/20/275110420.db2.gz WVXVVSBWYJFNPA-MRXNPFEDSA-N 1 0 335.429 2.289 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289621382 275133349 /nfs/dbraw/zinc/13/33/49/275133349.db2.gz JVYCNAFFSBNBIU-SNVBAGLBSA-N 1 0 342.783 2.090 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289705347 275140939 /nfs/dbraw/zinc/14/09/39/275140939.db2.gz OOLBATWJYXXYOL-UHFFFAOYSA-N 1 0 344.799 2.290 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290103931 275179918 /nfs/dbraw/zinc/17/99/18/275179918.db2.gz KDYTYHWYCJWQCY-AWEZNQCLSA-N 1 0 333.388 2.065 20 5 EEBDRO C[N@H+](CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000290578420 275219792 /nfs/dbraw/zinc/21/97/92/275219792.db2.gz VJJNEVDSWIVNCR-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EEBDRO CSC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000290779941 275238881 /nfs/dbraw/zinc/23/88/81/275238881.db2.gz CEMSFIIMMLREDQ-UHFFFAOYSA-N 1 0 344.458 2.244 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291621974 275323785 /nfs/dbraw/zinc/32/37/85/275323785.db2.gz CTWJIVDHRQBRDB-MOPGFXCFSA-N 1 0 342.395 2.264 20 5 EEBDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291672809 275328403 /nfs/dbraw/zinc/32/84/03/275328403.db2.gz QIIWXFUTIBHFLS-CXAGYDPISA-N 1 0 332.404 2.393 20 5 EEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359034089 275455653 /nfs/dbraw/zinc/45/56/53/275455653.db2.gz XOOQREIHCLWJKR-OAGGEKHMSA-N 1 0 349.435 2.123 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](CO)O3)o2)cc1 ZINC000292761149 275475820 /nfs/dbraw/zinc/47/58/20/275475820.db2.gz RZCYHGGCJUOYQR-ZBFHGGJFSA-N 1 0 332.356 2.484 20 5 EEBDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589034 275870356 /nfs/dbraw/zinc/87/03/56/275870356.db2.gz WJVBVMCSMYYCPZ-KBPBESRZSA-N 1 0 337.424 2.027 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000124405051 276113463 /nfs/dbraw/zinc/11/34/63/276113463.db2.gz MNHYCLKGZDILDK-LBPRGKRZSA-N 1 0 349.391 2.043 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000106478797 276198916 /nfs/dbraw/zinc/19/89/16/276198916.db2.gz XKFLYHRDQJBIIZ-CQSZACIVSA-N 1 0 338.839 2.464 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000132945485 277300003 /nfs/dbraw/zinc/30/00/03/277300003.db2.gz RDPYRUCGGIYMIR-JTQLQIEISA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932789 288075681 /nfs/dbraw/zinc/07/56/81/288075681.db2.gz GUYXHVDVHOHSNR-RISCZKNCSA-N 1 0 330.388 2.488 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000236723718 279069466 /nfs/dbraw/zinc/06/94/66/279069466.db2.gz XEQCWTVQWGTNMS-ZDUSSCGKSA-N 1 0 349.840 2.290 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429567834 279672341 /nfs/dbraw/zinc/67/23/41/279672341.db2.gz HGEOHVOGCPETTE-SWLSCSKDSA-N 1 0 346.431 2.298 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000237589403 280139167 /nfs/dbraw/zinc/13/91/67/280139167.db2.gz DUJUILYWIGPFJF-OAHLLOKOSA-N 1 0 341.795 2.261 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188736647 281395465 /nfs/dbraw/zinc/39/54/65/281395465.db2.gz WAEFGWPEUDAUCI-ZDUSSCGKSA-N 1 0 349.431 2.074 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000152556211 290182003 /nfs/dbraw/zinc/18/20/03/290182003.db2.gz PCJVEOMXKJXUJN-UKRRQHHQSA-N 1 0 344.415 2.400 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009818 292882652 /nfs/dbraw/zinc/88/26/52/292882652.db2.gz GFVKVIREFIXMGK-NWDGAFQWSA-N 1 0 337.376 2.019 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000283529916 292957200 /nfs/dbraw/zinc/95/72/00/292957200.db2.gz NRIMGDNGHLVXQR-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284184172 293044420 /nfs/dbraw/zinc/04/44/20/293044420.db2.gz YMVUEXZJYUUFNS-NSHDSACASA-N 1 0 338.383 2.120 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293790564 293296628 /nfs/dbraw/zinc/29/66/28/293296628.db2.gz OQXIJQXKQRGFBW-SECBINFHSA-N 1 0 344.209 2.285 20 5 EEBDRO Cc1ccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000294073718 293363404 /nfs/dbraw/zinc/36/34/04/293363404.db2.gz YNPGYIJAPAEPGP-CQSZACIVSA-N 1 0 326.418 2.160 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000296815535 294074470 /nfs/dbraw/zinc/07/44/70/294074470.db2.gz FRXPCWGTQLWNLD-GFCCVEGCSA-N 1 0 339.367 2.055 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000297236113 294188695 /nfs/dbraw/zinc/18/86/95/294188695.db2.gz RWSUTIFZIXMASQ-UHFFFAOYSA-N 1 0 332.404 2.232 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238018763 295268283 /nfs/dbraw/zinc/26/82/83/295268283.db2.gz RZKQATRIEDINFK-HUUCEWRRSA-N 1 0 346.431 2.442 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000237477527 297232649 /nfs/dbraw/zinc/23/26/49/297232649.db2.gz WVRVJQSOWQJYIX-UMVBOHGHSA-N 1 0 346.431 2.250 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423243537 303003928 /nfs/dbraw/zinc/00/39/28/303003928.db2.gz GLHBQFHEFKIPRG-XJKSGUPXSA-N 1 0 329.404 2.007 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217689 303004172 /nfs/dbraw/zinc/00/41/72/303004172.db2.gz UIHDJZQKXNPBBG-XJKSGUPXSA-N 1 0 329.404 2.007 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000176432352 303491645 /nfs/dbraw/zinc/49/16/45/303491645.db2.gz CHLKZARZQAFDOS-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302897820 311557400 /nfs/dbraw/zinc/55/74/00/311557400.db2.gz RNWNCUFPMRSFNG-ZDUSSCGKSA-N 1 0 334.420 2.068 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000328491616 311606043 /nfs/dbraw/zinc/60/60/43/311606043.db2.gz XSEIEBAGKCBPMX-LSDHHAIUSA-N 1 0 325.368 2.470 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnnn1CC1CC1)C1CC1 ZINC000349403093 312302608 /nfs/dbraw/zinc/30/26/08/312302608.db2.gz FSGIWNVUJGJSQJ-OAHLLOKOSA-N 1 0 342.403 2.102 20 5 EEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000351489083 312385131 /nfs/dbraw/zinc/38/51/31/312385131.db2.gz BZNYHOKPZUKMSF-CZUORRHYSA-N 1 0 332.360 2.286 20 5 EEBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413173727 312810342 /nfs/dbraw/zinc/81/03/42/312810342.db2.gz SLVQLJFECOECFT-ZDUSSCGKSA-N 1 0 330.388 2.036 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414659785 313058579 /nfs/dbraw/zinc/05/85/79/313058579.db2.gz TYEGBJNXCDNVOS-UHTWSYAYSA-N 1 0 334.376 2.195 20 5 EEBDRO CCOc1cc(NC(=O)NCCC[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000414757807 313077716 /nfs/dbraw/zinc/07/77/16/313077716.db2.gz LRFNGEMTJXXILN-UHFFFAOYSA-N 1 0 340.380 2.123 20 5 EEBDRO COc1cc(CNC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414783244 313088259 /nfs/dbraw/zinc/08/82/59/313088259.db2.gz QHKJGAPOVODJKH-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416475807 313232571 /nfs/dbraw/zinc/23/25/71/313232571.db2.gz VRCZCWUOSJOMCO-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000417768267 313590633 /nfs/dbraw/zinc/59/06/33/313590633.db2.gz RLWYGCZMGISCAE-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088382 313709231 /nfs/dbraw/zinc/70/92/31/313709231.db2.gz KHWFHHVXALGNMH-UHFFFAOYSA-N 1 0 334.298 2.022 20 5 EEBDRO C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000418341225 313788137 /nfs/dbraw/zinc/78/81/37/313788137.db2.gz LYEWGYBDOLYAHM-UKRRQHHQSA-N 1 0 334.420 2.167 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](CO)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420934774 314001681 /nfs/dbraw/zinc/00/16/81/314001681.db2.gz HFCHREDKOLBABJ-FPMFFAJLSA-N 1 0 335.404 2.181 20 5 EEBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[N@@H+]1C ZINC000421001331 314020076 /nfs/dbraw/zinc/02/00/76/314020076.db2.gz LDWIMRCEFPTISK-AWEZNQCLSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025306 314029717 /nfs/dbraw/zinc/02/97/17/314029717.db2.gz YJHSHZXMXRFSTP-ZIAGYGMSSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000422605510 314294260 /nfs/dbraw/zinc/29/42/60/314294260.db2.gz QGKNQESLIQTRCK-UHFFFAOYSA-N 1 0 337.424 2.132 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000515642405 316510114 /nfs/dbraw/zinc/51/01/14/316510114.db2.gz GIUAMGMLDKWVKM-INIZCTEOSA-N 1 0 341.367 2.107 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000531099800 317770047 /nfs/dbraw/zinc/77/00/47/317770047.db2.gz VQDSFMNRQCXCQS-UHFFFAOYSA-N 1 0 334.420 2.460 20 5 EEBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O ZINC000532808528 317885307 /nfs/dbraw/zinc/88/53/07/317885307.db2.gz VKLHOIZWLJMCQQ-NSHDSACASA-N 1 0 338.385 2.378 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548086177 318353164 /nfs/dbraw/zinc/35/31/64/318353164.db2.gz WUTDQNAXQPTLSB-GFCCVEGCSA-N 1 0 343.387 2.273 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(OCCO)CCOCC1 ZINC000554572983 318564900 /nfs/dbraw/zinc/56/49/00/318564900.db2.gz PMBPTWPDHJNWQM-AWEZNQCLSA-N 1 0 338.404 2.112 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000565489286 319187675 /nfs/dbraw/zinc/18/76/75/319187675.db2.gz RVRPIHOUVOAVCB-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000567112413 319349694 /nfs/dbraw/zinc/34/96/94/319349694.db2.gz WMEGPIBVIFETND-JGVFFNPUSA-N 1 0 330.182 2.213 20 5 EEBDRO CC[NH2+]CCCNc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567223308 319360537 /nfs/dbraw/zinc/36/05/37/319360537.db2.gz NEYYJGFBKPHPHU-UHFFFAOYSA-N 1 0 329.404 2.448 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000567845174 319425387 /nfs/dbraw/zinc/42/53/87/319425387.db2.gz MYFPLLNBYDNZFB-OCCSQVGLSA-N 1 0 339.417 2.015 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568152608 319456715 /nfs/dbraw/zinc/45/67/15/319456715.db2.gz BXOUQUUTQPAIRZ-UHFFFAOYSA-N 1 0 334.420 2.374 20 5 EEBDRO O=C(CC[NH2+][C@@H](CO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000569906667 319618685 /nfs/dbraw/zinc/61/86/85/319618685.db2.gz AUZXFQZULDGFNJ-INIZCTEOSA-N 1 0 335.404 2.454 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571554661 319766120 /nfs/dbraw/zinc/76/61/20/319766120.db2.gz GSZLUZPBTARTTE-HNNXBMFYSA-N 1 0 348.447 2.373 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000575311441 320099741 /nfs/dbraw/zinc/09/97/41/320099741.db2.gz GVPANFZEJSINOT-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO C[C@@]1(F)C[NH2+]CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000576403500 320168983 /nfs/dbraw/zinc/16/89/83/320168983.db2.gz VMQOYXQJECNCLY-QGZVFWFLSA-N 1 0 348.378 2.426 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCOC[C@@H]2C2CCC2)c2c(c1)COCO2 ZINC000580191031 324012637 /nfs/dbraw/zinc/01/26/37/324012637.db2.gz FLBKHGYJXJSPEU-MRXNPFEDSA-N 1 0 334.372 2.462 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000581996148 324357627 /nfs/dbraw/zinc/35/76/27/324357627.db2.gz NIOYVQMEIZRNHU-HNNXBMFYSA-N 1 0 332.404 2.283 20 5 EEBDRO Cc1c(Br)c(NC[C@@H]2CSCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000603421022 450294239 /nfs/dbraw/zinc/29/42/39/450294239.db2.gz XHQOIUCJGDEGMK-MRVPVSSYSA-N 1 0 347.238 2.178 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000192813399 465003714 /nfs/dbraw/zinc/00/37/14/465003714.db2.gz YBWRVEPDJKJVFN-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc2ncccc21 ZINC000325861806 465032532 /nfs/dbraw/zinc/03/25/32/465032532.db2.gz YKCLQSXKOYSHQD-OLZOCXBDSA-N 1 0 328.372 2.418 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc2ncccc21 ZINC000325861805 465032650 /nfs/dbraw/zinc/03/26/50/465032650.db2.gz YKCLQSXKOYSHQD-CHWSQXEVSA-N 1 0 328.372 2.418 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354577940 465034985 /nfs/dbraw/zinc/03/49/85/465034985.db2.gz PTRRRFAHDUWZDW-GXTWGEPZSA-N 1 0 341.433 2.088 20 5 EEBDRO CNc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000336883650 465078943 /nfs/dbraw/zinc/07/89/43/465078943.db2.gz ZYHSJSHTFJJEGM-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347621836 465128053 /nfs/dbraw/zinc/12/80/53/465128053.db2.gz HNRYXXGRUVMKLM-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO Cn1cc(CN2C[C@H](F)C[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863791 465200535 /nfs/dbraw/zinc/20/05/35/465200535.db2.gz YEBSAFBZZQHHLR-WBVHZDCISA-N 1 0 347.394 2.031 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358693020 465267673 /nfs/dbraw/zinc/26/76/73/465267673.db2.gz QILQULQLSSWJHI-CYBMUJFWSA-N 1 0 332.404 2.187 20 5 EEBDRO Cn1c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000337254655 465269300 /nfs/dbraw/zinc/26/93/00/465269300.db2.gz MKWSGEWCTFUABY-UHFFFAOYSA-N 1 0 332.360 2.126 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000045779331 462616818 /nfs/dbraw/zinc/61/68/18/462616818.db2.gz CLWVXBYBLFGLMV-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000063836095 462675696 /nfs/dbraw/zinc/67/56/96/462675696.db2.gz UTCRBDYPUXQTNO-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153980123 462716254 /nfs/dbraw/zinc/71/62/54/462716254.db2.gz WFSARRPVAAHGHR-KRWDZBQOSA-N 1 0 349.387 2.044 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](C)CC1 ZINC000064722388 462717218 /nfs/dbraw/zinc/71/72/18/462717218.db2.gz ZAZPOGAYGMZHPE-JTQLQIEISA-N 1 0 341.795 2.226 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067142437 462969093 /nfs/dbraw/zinc/96/90/93/462969093.db2.gz DDCOCLMCAHBNRY-OKILXGFUSA-N 1 0 335.404 2.132 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067796406 463052299 /nfs/dbraw/zinc/05/22/99/463052299.db2.gz QGGPIQIBKSGLFN-UONOGXRCSA-N 1 0 333.388 2.107 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000068341681 463123099 /nfs/dbraw/zinc/12/30/99/463123099.db2.gz ANPGCQNRQYUKHI-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCN(C)CC1 ZINC000068902201 463188105 /nfs/dbraw/zinc/18/81/05/463188105.db2.gz ZJYCFMGQLBHWKS-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 ZINC000579345312 468344466 /nfs/dbraw/zinc/34/44/66/468344466.db2.gz XMOACOLYQQAHDF-UHFFFAOYSA-N 1 0 337.767 2.063 20 5 EEBDRO Nc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000079814458 463252119 /nfs/dbraw/zinc/25/21/19/463252119.db2.gz TXBMANQULDWHNG-CYBMUJFWSA-N 1 0 328.376 2.216 20 5 EEBDRO CN(C)c1ncccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000139358752 463322649 /nfs/dbraw/zinc/32/26/49/463322649.db2.gz LUXREJZLMNFLRG-UHFFFAOYSA-N 1 0 326.316 2.184 20 5 EEBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000080747825 463352064 /nfs/dbraw/zinc/35/20/64/463352064.db2.gz NSNLZQHWNKYNFL-GHMZBOCLSA-N 1 0 335.360 2.382 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000043893248 463661699 /nfs/dbraw/zinc/66/16/99/463661699.db2.gz HDXMKYNRVFMFIV-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112363841 463699932 /nfs/dbraw/zinc/69/99/32/463699932.db2.gz BWTWSEUCLKWJKV-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286866800 463727959 /nfs/dbraw/zinc/72/79/59/463727959.db2.gz CSIWBYVIDYSLAD-JTQLQIEISA-N 1 0 334.401 2.398 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193826564 463745430 /nfs/dbraw/zinc/74/54/30/463745430.db2.gz RMZFKXOGYWEZSY-CQSZACIVSA-N 1 0 334.420 2.311 20 5 EEBDRO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000276882334 463794061 /nfs/dbraw/zinc/79/40/61/463794061.db2.gz PHHSSAVBMXMUAP-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000276908214 463801569 /nfs/dbraw/zinc/80/15/69/463801569.db2.gz UFXLQBUNHNRXDP-UHFFFAOYSA-N 1 0 337.424 2.122 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261694353 463830294 /nfs/dbraw/zinc/83/02/94/463830294.db2.gz OAQJMALMUZVZFA-INIZCTEOSA-N 1 0 325.368 2.141 20 5 EEBDRO Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261834351 463873606 /nfs/dbraw/zinc/87/36/06/463873606.db2.gz UBCISMBALVUFLI-JKSUJKDBSA-N 1 0 325.368 2.470 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185752543 463874014 /nfs/dbraw/zinc/87/40/14/463874014.db2.gz GDZHWUXRNRDSPV-UHFFFAOYSA-N 1 0 337.424 2.103 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185817863 463885408 /nfs/dbraw/zinc/88/54/08/463885408.db2.gz ZAKWKHASAVZQBZ-LLVKDONJSA-N 1 0 340.811 2.389 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447006 463887979 /nfs/dbraw/zinc/88/79/79/463887979.db2.gz KNQZLXANVLJILC-GHMZBOCLSA-N 1 0 338.383 2.166 20 5 EEBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000269180476 463901322 /nfs/dbraw/zinc/90/13/22/463901322.db2.gz ICHROEXEPPNZQH-ZIAGYGMSSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000278762940 463981961 /nfs/dbraw/zinc/98/19/61/463981961.db2.gz NTSQCJLUDCPATQ-NSHDSACASA-N 1 0 340.811 2.333 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186377675 463987366 /nfs/dbraw/zinc/98/73/66/463987366.db2.gz CXPCFCZZMBOYBK-UHFFFAOYSA-N 1 0 344.396 2.368 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000195111137 463993360 /nfs/dbraw/zinc/99/33/60/463993360.db2.gz YPEZDPCCLHUTEB-AWEZNQCLSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000178979754 464029107 /nfs/dbraw/zinc/02/91/07/464029107.db2.gz NCHMIVGNKMYGCJ-IUODEOHRSA-N 1 0 341.433 2.089 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000279227202 464071407 /nfs/dbraw/zinc/07/14/07/464071407.db2.gz QKOCJDCOYVTBIV-AOOOYVTPSA-N 1 0 343.305 2.247 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000269785286 464093682 /nfs/dbraw/zinc/09/36/82/464093682.db2.gz HQYIJHIGSYTLRZ-WCQYABFASA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279410786 464100772 /nfs/dbraw/zinc/10/07/72/464100772.db2.gz VVPKWGFEFKVODX-WBMJQRKESA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000279688971 464127498 /nfs/dbraw/zinc/12/74/98/464127498.db2.gz FZMCGONZKUQPQJ-AWEZNQCLSA-N 1 0 336.388 2.244 20 5 EEBDRO COCC1([N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000591021530 468394386 /nfs/dbraw/zinc/39/43/86/468394386.db2.gz XVTKSYGGMOKSDQ-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO COCC1([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000591021409 468394790 /nfs/dbraw/zinc/39/47/90/468394790.db2.gz IUCAPVODEMILRF-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000173010311 464178039 /nfs/dbraw/zinc/17/80/39/464178039.db2.gz QGGOURSLCOPLFA-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179751330 464180555 /nfs/dbraw/zinc/18/05/55/464180555.db2.gz PTRRRMYWIYMVRJ-GFCCVEGCSA-N 1 0 328.372 2.357 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000284424852 464186555 /nfs/dbraw/zinc/18/65/55/464186555.db2.gz OXTRISZEABWKPL-NWDGAFQWSA-N 1 0 333.388 2.349 20 5 EEBDRO CC(C)C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000236637035 464215998 /nfs/dbraw/zinc/21/59/98/464215998.db2.gz FVINHVBDMUHDPX-CQSZACIVSA-N 1 0 327.450 2.493 20 5 EEBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000292404178 464221184 /nfs/dbraw/zinc/22/11/84/464221184.db2.gz UDCJYILOQICBHI-UHFFFAOYSA-N 1 0 327.356 2.419 20 5 EEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237389337 464312462 /nfs/dbraw/zinc/31/24/62/464312462.db2.gz URBCUKZGOBXVMU-MJBXVCDLSA-N 1 0 348.447 2.402 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237630832 464354357 /nfs/dbraw/zinc/35/43/57/464354357.db2.gz FLIMFKRYDXPTBK-JQWIXIFHSA-N 1 0 341.795 2.274 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000264663287 464413306 /nfs/dbraw/zinc/41/33/06/464413306.db2.gz IYPGKTCKLWIOKK-LBPRGKRZSA-N 1 0 337.424 2.122 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000238077998 464430320 /nfs/dbraw/zinc/43/03/20/464430320.db2.gz JCBLBRNYIBSFEA-CJNGLKHVSA-N 1 0 346.431 2.442 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271980428 464434988 /nfs/dbraw/zinc/43/49/88/464434988.db2.gz OMLYUQUNUYVKIL-LBPRGKRZSA-N 1 0 335.429 2.454 20 5 EEBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381610 464543982 /nfs/dbraw/zinc/54/39/82/464543982.db2.gz ABLJQNQLLZQLBU-SWLSCSKDSA-N 1 0 335.404 2.209 20 5 EEBDRO COc1cc(C[NH2+][C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272399262 464592566 /nfs/dbraw/zinc/59/25/66/464592566.db2.gz JSPPVTYYQHWZLH-VIFPVBQESA-N 1 0 334.319 2.108 20 5 EEBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000190367394 464628910 /nfs/dbraw/zinc/62/89/10/464628910.db2.gz HVDWMSZRXKFFQG-IUODEOHRSA-N 1 0 331.372 2.495 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518822 464641943 /nfs/dbraw/zinc/64/19/43/464641943.db2.gz KSLCREBYPZMVFP-CVEARBPZSA-N 1 0 329.404 2.102 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000265917358 464731853 /nfs/dbraw/zinc/73/18/53/464731853.db2.gz KFHQBFYWJKWMTO-UHFFFAOYSA-N 1 0 345.424 2.485 20 5 EEBDRO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457344 464774195 /nfs/dbraw/zinc/77/41/95/464774195.db2.gz PLGVXMAJHKWPQE-GXTWGEPZSA-N 1 0 336.417 2.223 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266697927 464792009 /nfs/dbraw/zinc/79/20/09/464792009.db2.gz GHPMZPIRZBQXSD-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000276204959 464845939 /nfs/dbraw/zinc/84/59/39/464845939.db2.gz KOICLMLPQVYZCD-UHFFFAOYSA-N 1 0 325.434 2.487 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000176916343 464885123 /nfs/dbraw/zinc/88/51/23/464885123.db2.gz HGBWIZVUGIMJFL-UHFFFAOYSA-N 1 0 330.344 2.069 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282665240 464902566 /nfs/dbraw/zinc/90/25/66/464902566.db2.gz IVIARBPMDCRPRM-CQSZACIVSA-N 1 0 338.404 2.112 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286398964 464904529 /nfs/dbraw/zinc/90/45/29/464904529.db2.gz HIOXWGGGUYECEG-MRVWCRGKSA-N 1 0 348.321 2.121 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249712591 464906085 /nfs/dbraw/zinc/90/60/85/464906085.db2.gz YZHSBIIIBLSJHZ-RISCZKNCSA-N 1 0 335.404 2.324 20 5 EEBDRO CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C(C)(C)C1 ZINC000295637150 464912267 /nfs/dbraw/zinc/91/22/67/464912267.db2.gz CZPBRQBUPHJFFI-UHFFFAOYSA-N 1 0 343.387 2.151 20 5 EEBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000276572917 464984929 /nfs/dbraw/zinc/98/49/29/464984929.db2.gz FFZSGQYHIDRGRW-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000192739779 464988761 /nfs/dbraw/zinc/98/87/61/464988761.db2.gz BPCCPLBKFMEUBZ-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000177416590 465009101 /nfs/dbraw/zinc/00/91/01/465009101.db2.gz SHPOKUZWFDQZKE-QGZVFWFLSA-N 1 0 349.387 2.117 20 5 EEBDRO CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000286732145 465016659 /nfs/dbraw/zinc/01/66/59/465016659.db2.gz HHJQGKVGYGVNLX-ZDUSSCGKSA-N 1 0 337.376 2.314 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593911151 468430587 /nfs/dbraw/zinc/43/05/87/468430587.db2.gz FEEDZVXQQIGWFO-UXLLHSPISA-N 1 0 347.415 2.262 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000593913194 468430659 /nfs/dbraw/zinc/43/06/59/468430659.db2.gz SQHWSPNTPKSWCE-GUYCJALGSA-N 1 0 333.388 2.113 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000593914618 468431518 /nfs/dbraw/zinc/43/15/18/468431518.db2.gz LUBOUFXQCVGUBO-LRDDRELGSA-N 1 0 335.429 2.274 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000356453365 465391344 /nfs/dbraw/zinc/39/13/44/465391344.db2.gz CTJMDFLGPVRPNK-AWEZNQCLSA-N 1 0 349.435 2.103 20 5 EEBDRO Cn1cc(CNC[C@@H]2CCCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591275571 468435406 /nfs/dbraw/zinc/43/54/06/468435406.db2.gz FBUCXJMQEYGCDY-HNNXBMFYSA-N 1 0 329.404 2.227 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343477502 465519748 /nfs/dbraw/zinc/51/97/48/465519748.db2.gz CRHLFZIMMVWNQW-ZFWWWQNUSA-N 1 0 346.431 2.408 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000343801752 465555465 /nfs/dbraw/zinc/55/54/65/465555465.db2.gz DCNSUNAGZIBBOI-FZMZJTMJSA-N 1 0 330.392 2.379 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000356841244 465569033 /nfs/dbraw/zinc/56/90/33/465569033.db2.gz FBDJIRLLHUUXJG-WDEREUQCSA-N 1 0 325.796 2.342 20 5 EEBDRO CNc1c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000360938578 465649130 /nfs/dbraw/zinc/64/91/30/465649130.db2.gz VBJSYAIKOYVBLV-AWEZNQCLSA-N 1 0 346.431 2.440 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000356970571 465668390 /nfs/dbraw/zinc/66/83/90/465668390.db2.gz FRLYRBFDIGKXDC-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000361011777 465702417 /nfs/dbraw/zinc/70/24/17/465702417.db2.gz DBEICSIDDSLVTC-STQMWFEESA-N 1 0 339.465 2.136 20 5 EEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000299361458 465716499 /nfs/dbraw/zinc/71/64/99/465716499.db2.gz YWNAANIXTGHIJV-ZDUSSCGKSA-N 1 0 330.388 2.008 20 5 EEBDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330607078 465728941 /nfs/dbraw/zinc/72/89/41/465728941.db2.gz JGUHIZHVUGIARY-JTQLQIEISA-N 1 0 345.346 2.341 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447457 465890101 /nfs/dbraw/zinc/89/01/01/465890101.db2.gz MAMRQADXVNFXTP-IAGOWNOFSA-N 1 0 343.431 2.492 20 5 EEBDRO CCc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000362638725 465901951 /nfs/dbraw/zinc/90/19/51/465901951.db2.gz UDKWCIISCSJJRM-UHFFFAOYSA-N 1 0 326.356 2.450 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166683 465953210 /nfs/dbraw/zinc/95/32/10/465953210.db2.gz SAOANSKCSPKOHI-ZQIUZPCESA-N 1 0 331.416 2.326 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301431528 465962537 /nfs/dbraw/zinc/96/25/37/465962537.db2.gz VPVVFNULQFVEMN-CQSZACIVSA-N 1 0 346.387 2.226 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362717827 465969704 /nfs/dbraw/zinc/96/97/04/465969704.db2.gz TUFATPHRAACXGZ-CQSZACIVSA-N 1 0 336.392 2.407 20 5 EEBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301888850 466054423 /nfs/dbraw/zinc/05/44/23/466054423.db2.gz RXMANGRYBOYDFI-GJZGRUSLSA-N 1 0 328.372 2.037 20 5 EEBDRO C[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451357 466089916 /nfs/dbraw/zinc/08/99/16/466089916.db2.gz ZEHDOOYXWHVFJN-GDLVEWKHSA-N 1 0 335.379 2.436 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccsc2)cc1[N+](=O)[O-] ZINC000353736868 466106454 /nfs/dbraw/zinc/10/64/54/466106454.db2.gz JWPRLXNOLYYRHR-UHFFFAOYSA-N 1 0 336.369 2.498 20 5 EEBDRO COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338544448 466209638 /nfs/dbraw/zinc/20/96/38/466209638.db2.gz AQKLXDHKGJBGIO-GFCCVEGCSA-N 1 0 336.392 2.065 20 5 EEBDRO C[C@@H](O)[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000305183986 466371993 /nfs/dbraw/zinc/37/19/93/466371993.db2.gz OSRZVICJYDFNJX-DGCLKSJQSA-N 1 0 332.360 2.238 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000363407578 466383168 /nfs/dbraw/zinc/38/31/68/466383168.db2.gz ACIGFQYBDCGSDZ-MRXNPFEDSA-N 1 0 341.367 2.347 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305794094 466465884 /nfs/dbraw/zinc/46/58/84/466465884.db2.gz DZAFSCDWNRLRPG-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000318591360 466588898 /nfs/dbraw/zinc/58/88/98/466588898.db2.gz DZXVRRYMYPOKLY-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000322452116 466632759 /nfs/dbraw/zinc/63/27/59/466632759.db2.gz DPWLFMDBPSIZEH-LBPRGKRZSA-N 1 0 341.433 2.141 20 5 EEBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368445416 466638091 /nfs/dbraw/zinc/63/80/91/466638091.db2.gz KTSBDGCICDPZQZ-LBPRGKRZSA-N 1 0 339.827 2.224 20 5 EEBDRO Cc1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000415423847 466672744 /nfs/dbraw/zinc/67/27/44/466672744.db2.gz ZPTDSBYDJBEAGY-ZBFHGGJFSA-N 1 0 348.403 2.263 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415434801 466678466 /nfs/dbraw/zinc/67/84/66/466678466.db2.gz IBYDQWPKNUTNNR-DTORHVGOSA-N 1 0 344.293 2.297 20 5 EEBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+]1CCCC1 ZINC000416110474 466722988 /nfs/dbraw/zinc/72/29/88/466722988.db2.gz TWQDBZQVJAFZMK-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000369690901 466745508 /nfs/dbraw/zinc/74/55/08/466745508.db2.gz FURHASVKJVXIHC-UHFFFAOYSA-N 1 0 344.375 2.702 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH2+]C)CC2)c1 ZINC000423494478 466758282 /nfs/dbraw/zinc/75/82/82/466758282.db2.gz SDZBQGBODLUQNY-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1c(CC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000423518527 466764591 /nfs/dbraw/zinc/76/45/91/466764591.db2.gz UXWPZGGMONWHJP-CQSZACIVSA-N 1 0 340.383 2.295 20 5 EEBDRO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424017054 466953666 /nfs/dbraw/zinc/95/36/66/466953666.db2.gz ONIJIFWZCUKCDK-ZIAGYGMSSA-N 1 0 334.420 2.230 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000424038434 466959921 /nfs/dbraw/zinc/95/99/21/466959921.db2.gz IFTBIDPWDOXTHI-QGZVFWFLSA-N 1 0 331.416 2.374 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412063472 466989948 /nfs/dbraw/zinc/98/99/48/466989948.db2.gz BCLCUMJFZJZLDK-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412088446 467002897 /nfs/dbraw/zinc/00/28/97/467002897.db2.gz PLEMMTLTMHCIFJ-WCQYABFASA-N 1 0 332.360 2.238 20 5 EEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)CN1CCOCC1 ZINC000412093814 467005311 /nfs/dbraw/zinc/00/53/11/467005311.db2.gz OQMIOPLMJNVUTL-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000377115674 467032482 /nfs/dbraw/zinc/03/24/82/467032482.db2.gz PVSFZWHEBOWVPH-SJKOYZFVSA-N 1 0 349.387 2.054 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370990037 467065696 /nfs/dbraw/zinc/06/56/96/467065696.db2.gz BIOSROJRLFSFII-ZIAGYGMSSA-N 1 0 333.388 2.282 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCCC1 ZINC000418299975 467089753 /nfs/dbraw/zinc/08/97/53/467089753.db2.gz UTZTWVDXYJOUPF-UHFFFAOYSA-N 1 0 334.420 2.440 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425554930 467110908 /nfs/dbraw/zinc/11/09/08/467110908.db2.gz PKZMHFZSDKUIET-QGZVFWFLSA-N 1 0 347.415 2.038 20 5 EEBDRO Cn1c(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000425618781 467115874 /nfs/dbraw/zinc/11/58/74/467115874.db2.gz GEWCRXKXRMIDKB-CQSZACIVSA-N 1 0 342.399 2.457 20 5 EEBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413296444 467209706 /nfs/dbraw/zinc/20/97/06/467209706.db2.gz DCKHWJLDAZGBHM-TZMCWYRMSA-N 1 0 330.388 2.034 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000378189661 467223682 /nfs/dbraw/zinc/22/36/82/467223682.db2.gz YVGWCKUELWKZFQ-UHFFFAOYSA-N 1 0 341.367 2.412 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000413434360 467241495 /nfs/dbraw/zinc/24/14/95/467241495.db2.gz FXGRHVODUXYUDK-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413451653 467245505 /nfs/dbraw/zinc/24/55/05/467245505.db2.gz ZYNBGBZNVABTTH-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419803065 467252434 /nfs/dbraw/zinc/25/24/34/467252434.db2.gz BPYKCMNNBSSVGZ-JKSUJKDBSA-N 1 0 334.372 2.466 20 5 EEBDRO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548025 467259738 /nfs/dbraw/zinc/25/97/38/467259738.db2.gz LZTKYEONPSBXAL-WBVHZDCISA-N 1 0 333.432 2.495 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452120522 467331021 /nfs/dbraw/zinc/33/10/21/467331021.db2.gz GDHRRQPHYGWMRA-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO CN(C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000420342004 467369073 /nfs/dbraw/zinc/36/90/73/467369073.db2.gz PFEYCGDOOAURHO-QGZVFWFLSA-N 1 0 346.431 2.022 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCC1 ZINC000452725910 467414759 /nfs/dbraw/zinc/41/47/59/467414759.db2.gz FILRTSNKZMEBGN-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000430277855 467416704 /nfs/dbraw/zinc/41/67/04/467416704.db2.gz NZZYNUMSNWCAPR-QGZVFWFLSA-N 1 0 344.371 2.208 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420467777 467417254 /nfs/dbraw/zinc/41/72/54/467417254.db2.gz NNQQCMGMDXVQFA-VHSXEESVSA-N 1 0 347.824 2.044 20 5 EEBDRO CC1CCC([NH+]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)CC1 ZINC000420599551 467432085 /nfs/dbraw/zinc/43/20/85/467432085.db2.gz LGVVHVJCRGPPOV-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436405225 467534981 /nfs/dbraw/zinc/53/49/81/467534981.db2.gz PCTOCLLVVSZKGN-JTQLQIEISA-N 1 0 348.325 2.166 20 5 EEBDRO CNc1nc(C(=O)NCCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000454512261 467597706 /nfs/dbraw/zinc/59/77/06/467597706.db2.gz BSQCNMDEGMLNMY-UHFFFAOYSA-N 1 0 349.435 2.416 20 5 EEBDRO CNc1nc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454600577 467603623 /nfs/dbraw/zinc/60/36/23/467603623.db2.gz FKTHNESDLBZMQJ-CYBMUJFWSA-N 1 0 349.416 2.126 20 5 EEBDRO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186354 467622690 /nfs/dbraw/zinc/62/26/90/467622690.db2.gz OTTNRWNVFZDMAT-OCCSQVGLSA-N 1 0 345.403 2.388 20 5 EEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449443591 467645495 /nfs/dbraw/zinc/64/54/95/467645495.db2.gz UBJSGOJCRQZECJ-CYBMUJFWSA-N 1 0 343.449 2.136 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450259418 467810757 /nfs/dbraw/zinc/81/07/57/467810757.db2.gz WMNPLEBERBSPOH-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000450284166 467817720 /nfs/dbraw/zinc/81/77/20/467817720.db2.gz BPAXMZJDARUPCY-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000516196330 468018288 /nfs/dbraw/zinc/01/82/88/468018288.db2.gz WEHFCUZTMXHDTJ-UHFFFAOYSA-N 1 0 334.420 2.468 20 5 EEBDRO CC(C)[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487080519 468021427 /nfs/dbraw/zinc/02/14/27/468021427.db2.gz SSWAIOSVUMZGQG-KRWDZBQOSA-N 1 0 346.431 2.263 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487199514 468028164 /nfs/dbraw/zinc/02/81/64/468028164.db2.gz HLFGVGJUKZIKKE-AWEZNQCLSA-N 1 0 336.392 2.407 20 5 EEBDRO CC(C)[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000487947021 468062224 /nfs/dbraw/zinc/06/22/24/468062224.db2.gz KUPPGKQCIIEVFP-INIZCTEOSA-N 1 0 335.404 2.233 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000532647527 468128626 /nfs/dbraw/zinc/12/86/26/468128626.db2.gz CRDPAWYRGGODNC-UHFFFAOYSA-N 1 0 339.392 2.289 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCOCC1 ZINC000533308360 468187237 /nfs/dbraw/zinc/18/72/37/468187237.db2.gz CSZDUHCUCFZBFK-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000590390260 468244287 /nfs/dbraw/zinc/24/42/87/468244287.db2.gz WOKSADNHXHEPSV-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COCc1ccccc1F ZINC000591744652 468512857 /nfs/dbraw/zinc/51/28/57/468512857.db2.gz UOEAZPBJWNUGCP-INIZCTEOSA-N 1 0 348.374 2.444 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594235245 468523683 /nfs/dbraw/zinc/52/36/83/468523683.db2.gz UNTPPHXROYKWIV-IAGOWNOFSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594235247 468523774 /nfs/dbraw/zinc/52/37/74/468523774.db2.gz UNTPPHXROYKWIV-SJORKVTESA-N 1 0 346.431 2.453 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594515711 468613908 /nfs/dbraw/zinc/61/39/08/468613908.db2.gz PMCQPRISEWLFHX-CEFACKQISA-N 1 0 327.388 2.274 20 5 EEBDRO C[C@H](O)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594615059 468636782 /nfs/dbraw/zinc/63/67/82/468636782.db2.gz LLXMIRBOBRFSBV-LBPRGKRZSA-N 1 0 330.388 2.341 20 5 EEBDRO Cc1nc(C)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000583199236 468660839 /nfs/dbraw/zinc/66/08/39/468660839.db2.gz FBBVPSZRBRSSFW-ZDUSSCGKSA-N 1 0 337.401 2.198 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594914211 468722008 /nfs/dbraw/zinc/72/20/08/468722008.db2.gz FSRGPFVGEXLNOJ-CYBMUJFWSA-N 1 0 335.404 2.330 20 5 EEBDRO C[C@@H](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597993670 468734087 /nfs/dbraw/zinc/73/40/87/468734087.db2.gz VEXHFYIBSQZITC-LBPRGKRZSA-N 1 0 345.403 2.065 20 5 EEBDRO Cn1c(Sc2ccsc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000601118338 468748740 /nfs/dbraw/zinc/74/87/40/468748740.db2.gz KTPMFINIEOYCOT-UHFFFAOYSA-N 1 0 325.419 2.403 20 5 EEBDRO CCCN1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097187 468757857 /nfs/dbraw/zinc/75/78/57/468757857.db2.gz RUCFNYYDKIESBW-UKRRQHHQSA-N 1 0 334.420 2.386 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097586 468758049 /nfs/dbraw/zinc/75/80/49/468758049.db2.gz YALXYQOTNSFSEV-WBVHZDCISA-N 1 0 343.431 2.492 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000595102742 468758972 /nfs/dbraw/zinc/75/89/72/468758972.db2.gz LNYXJLKEYHSHMY-YOEHRIQHSA-N 1 0 331.416 2.425 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583992239 468782913 /nfs/dbraw/zinc/78/29/13/468782913.db2.gz ZLOZOLWKTFYPRB-CVEARBPZSA-N 1 0 343.383 2.219 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000560363496 468790948 /nfs/dbraw/zinc/79/09/48/468790948.db2.gz LEBCFSJNDOPCBB-LBPRGKRZSA-N 1 0 328.372 2.215 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598265960 468811719 /nfs/dbraw/zinc/81/17/19/468811719.db2.gz WTOROEWJVFVGSG-LLVKDONJSA-N 1 0 338.383 2.166 20 5 EEBDRO CCOC(=O)c1c(C)n[nH]c1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595477933 468869851 /nfs/dbraw/zinc/86/98/51/468869851.db2.gz WGOBBCFFODHMKI-UHFFFAOYSA-N 1 0 346.387 2.478 20 5 EEBDRO CN(CC[NH+]1CCCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593111905 468874734 /nfs/dbraw/zinc/87/47/34/468874734.db2.gz CDFZYZBNFVEOKU-UHFFFAOYSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598562115 468914182 /nfs/dbraw/zinc/91/41/82/468914182.db2.gz UGTMHHJAMNLALY-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598590866 468925295 /nfs/dbraw/zinc/92/52/95/468925295.db2.gz RJVGHRCURZIPEB-RYUDHWBXSA-N 1 0 336.392 2.309 20 5 EEBDRO CCc1ccc(S(=O)(=O)NCCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000572479422 468939022 /nfs/dbraw/zinc/93/90/22/468939022.db2.gz XZAQVVKDUOZIRE-UHFFFAOYSA-N 1 0 343.449 2.167 20 5 EEBDRO C[N@H+]1C[C@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]2C1 ZINC000602641097 468982354 /nfs/dbraw/zinc/98/23/54/468982354.db2.gz QJXONONNSSQTHZ-DTORHVGOSA-N 1 0 346.250 2.412 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595741255 468982917 /nfs/dbraw/zinc/98/29/17/468982917.db2.gz MCSPVORSAMQJPP-SWLSCSKDSA-N 1 0 333.388 2.094 20 5 EEBDRO CO[C@@H]([C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602681187 469007759 /nfs/dbraw/zinc/00/77/59/469007759.db2.gz MPXOBYANIWMVAL-SJCJKPOMSA-N 1 0 334.420 2.362 20 5 EEBDRO COC1([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602693354 469015504 /nfs/dbraw/zinc/01/55/04/469015504.db2.gz GIQHQPZHYNPLGG-NSHDSACASA-N 1 0 335.360 2.410 20 5 EEBDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593606646 469056090 /nfs/dbraw/zinc/05/60/90/469056090.db2.gz WHXSQUFCGNCLMC-UHFFFAOYSA-N 1 0 340.387 2.384 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000573093430 469060007 /nfs/dbraw/zinc/06/00/07/469060007.db2.gz OMWIVIQPNPKBKC-UHFFFAOYSA-N 1 0 341.795 2.275 20 5 EEBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593674539 469089878 /nfs/dbraw/zinc/08/98/78/469089878.db2.gz XENZSHZHNHHQOD-HUUCEWRRSA-N 1 0 332.356 2.436 20 5 EEBDRO Cc1c(C[NH3+])c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1C ZINC000595960352 469097151 /nfs/dbraw/zinc/09/71/51/469097151.db2.gz CUVAMISQCUWZDP-UHFFFAOYSA-N 1 0 345.403 2.645 20 5 EEBDRO O=[N+]([O-])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000601958895 469113102 /nfs/dbraw/zinc/11/31/02/469113102.db2.gz OWMMIUALLUKYAN-SFHVURJKSA-N 1 0 342.399 2.306 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733955 469115039 /nfs/dbraw/zinc/11/50/39/469115039.db2.gz OYRCSIYVKWYECI-WBMJQRKESA-N 1 0 334.420 2.291 20 5 EEBDRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601978108 469124345 /nfs/dbraw/zinc/12/43/45/469124345.db2.gz XLGXXSXDEZSYPB-GASCZTMLSA-N 1 0 328.372 2.074 20 5 EEBDRO Cc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980499 469126299 /nfs/dbraw/zinc/12/62/99/469126299.db2.gz LTVDTEIHEPZSSG-RISCZKNCSA-N 1 0 327.388 2.335 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008763 469138537 /nfs/dbraw/zinc/13/85/37/469138537.db2.gz JXMRPIDCYANYMV-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO C[NH+](C)CCOc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596081498 469145725 /nfs/dbraw/zinc/14/57/25/469145725.db2.gz ZFQJBZHLFPLCGV-UHFFFAOYSA-N 1 0 332.360 2.248 20 5 EEBDRO CC1CC[NH+](C2CCC(Nc3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596173376 469185395 /nfs/dbraw/zinc/18/53/95/469185395.db2.gz TXVWDTAYERTIRX-UHFFFAOYSA-N 1 0 333.436 3.027 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602954981 469188764 /nfs/dbraw/zinc/18/87/64/469188764.db2.gz XDELFGBJYBZQBA-CQSZACIVSA-N 1 0 347.419 2.060 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000611223992 469199025 /nfs/dbraw/zinc/19/90/25/469199025.db2.gz SXNYOYCWAJRDHL-LBPRGKRZSA-N 1 0 328.372 2.309 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611253858 469209932 /nfs/dbraw/zinc/20/99/32/469209932.db2.gz FGCLTVKXDLBUCO-CQSZACIVSA-N 1 0 335.404 2.282 20 5 EEBDRO Cn1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000589191416 469210029 /nfs/dbraw/zinc/21/00/29/469210029.db2.gz XSRSOXLGIUTLCL-UHFFFAOYSA-N 1 0 325.372 2.447 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997172 469213325 /nfs/dbraw/zinc/21/33/25/469213325.db2.gz FEDBDUCPCSNMOZ-OIISXLGYSA-N 1 0 347.415 2.467 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596231797 469215238 /nfs/dbraw/zinc/21/52/38/469215238.db2.gz NIYIODWRMHDIQH-BLLLJJGKSA-N 1 0 329.404 2.984 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC000596240682 469218799 /nfs/dbraw/zinc/21/87/99/469218799.db2.gz DPETWTDJZOJDJX-LBPRGKRZSA-N 1 0 332.404 2.004 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337371 469246234 /nfs/dbraw/zinc/24/62/34/469246234.db2.gz VVURQZIICLASQY-NSHDSACASA-N 1 0 336.392 2.370 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 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O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000072753274 1192986856 /nfs/dbraw/zinc/98/68/56/1192986856.db2.gz QEOBOJBXPYIBJJ-UTCJRWHESA-N 1 0 338.367 2.352 20 5 EEBDRO [NH3+]C1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000905705702 1189875696 /nfs/dbraw/zinc/87/56/96/1189875696.db2.gz LAJGAQRGKMMZSP-UHFFFAOYSA-N 1 0 341.415 2.492 20 5 EEBDRO CCc1ncsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128895022 1195993116 /nfs/dbraw/zinc/99/31/16/1195993116.db2.gz WAMQEJWHVXVSEQ-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H](C)O1 ZINC000865427250 1198212552 /nfs/dbraw/zinc/21/25/52/1198212552.db2.gz BNSQZYTUCSWUSR-VXGBXAGGSA-N 1 0 341.383 2.137 20 5 EEBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC[NH+](C)CC1 ZINC000813281846 1198944788 /nfs/dbraw/zinc/94/47/88/1198944788.db2.gz IXSFHJHPEBSUME-UHFFFAOYSA-N 1 0 341.408 2.291 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]n1 ZINC001134153642 1199342728 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335.429 2.334 20 5 EEBDRO CC[N@H+](CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])C(C)C ZINC000811797252 1200313322 /nfs/dbraw/zinc/31/33/22/1200313322.db2.gz BDXDGJSACRGKTD-UHFFFAOYSA-N 1 0 340.380 2.446 20 5 EEBDRO COc1ccc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880210707 1201423545 /nfs/dbraw/zinc/42/35/45/1201423545.db2.gz VMTMIOJQFYXMDI-INIZCTEOSA-N 1 0 349.431 2.336 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCOCC1(C)C ZINC000866258529 1201478447 /nfs/dbraw/zinc/47/84/47/1201478447.db2.gz XXYBDIGNUMWOKC-ZDUSSCGKSA-N 1 0 339.411 2.365 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000800191709 1202218878 /nfs/dbraw/zinc/21/88/78/1202218878.db2.gz CGWYCTMKSZPZGH-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927696500 1206292071 /nfs/dbraw/zinc/29/20/71/1206292071.db2.gz XWISRMSYOIYBQR-UHFFFAOYSA-N 1 0 332.335 2.433 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931045961 1206602487 /nfs/dbraw/zinc/60/24/87/1206602487.db2.gz ZSRNGERJZZBVEX-XHDPSFHLSA-N 1 0 338.383 2.087 20 5 EEBDRO COc1cc(C[NH2+][C@H]2COC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000932500983 1207617402 /nfs/dbraw/zinc/61/74/02/1207617402.db2.gz OTSIJSRRWBYGHD-SCZZXKLOSA-N 1 0 332.303 2.329 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778261757 1208005721 /nfs/dbraw/zinc/00/57/21/1208005721.db2.gz PLEYEOZJYMBQNJ-ZDUSSCGKSA-N 1 0 339.342 2.287 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778285727 1208062582 /nfs/dbraw/zinc/06/25/82/1208062582.db2.gz OFMWIDKZZIKCSY-UHFFFAOYSA-N 1 0 329.347 2.487 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000194348776 1211165746 /nfs/dbraw/zinc/16/57/46/1211165746.db2.gz FSLXMZWZRHMPID-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020055313 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WCXAUWACSLEKOV-NSHDSACASA-N 1 0 343.330 2.154 20 5 EEBDRO O=C(c1cc[nH]c1)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072765605 1296120503 /nfs/dbraw/zinc/12/05/03/1296120503.db2.gz LEKKAZVIVKOLKU-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 ZINC000863655134 1296368129 /nfs/dbraw/zinc/36/81/29/1296368129.db2.gz AHGFYHAMGIUONJ-VIFPVBQESA-N 1 0 346.322 2.293 20 5 EEBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CCC[NH2+]C1 ZINC001217962683 1297536454 /nfs/dbraw/zinc/53/64/54/1297536454.db2.gz FALKAIKCVGHDGR-MRVPVSSYSA-N 1 0 348.140 2.330 20 5 EEBDRO C[C@H](Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318657 1297629727 /nfs/dbraw/zinc/62/97/27/1297629727.db2.gz XWNVHOFICRYIHT-NHYWBVRUSA-N 1 0 329.356 2.090 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@H]2C=CC[NH2+]C2)cc1I ZINC001218330991 1297632949 /nfs/dbraw/zinc/63/29/49/1297632949.db2.gz MMNPWWJYOYXYMF-VIFPVBQESA-N 1 0 346.124 2.106 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(Cl)(Cl)c1ccc(F)cc1 ZINC001223924882 1300334509 /nfs/dbraw/zinc/33/45/09/1300334509.db2.gz ZVGFJRSTRBKGFB-GFCCVEGCSA-N 1 0 339.214 2.414 20 5 EEBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001224853633 1300758526 /nfs/dbraw/zinc/75/85/26/1300758526.db2.gz WRQPBOCQFSXQJE-KGLIPLIRSA-N 1 0 331.477 2.470 20 5 EEBDRO COC(=O)c1cc(OC)c(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226362748 1301378793 /nfs/dbraw/zinc/37/87/93/1301378793.db2.gz ZAJRKXWKBJSYCV-GFCCVEGCSA-N 1 0 338.360 2.252 20 5 EEBDRO C[NH+]1CCC2(CC[C@@H](COc3ncc(F)cc3[N+](=O)[O-])O2)CC1 ZINC001226756416 1301540376 /nfs/dbraw/zinc/54/03/76/1301540376.db2.gz RAIBHOVEGNXNBR-LBPRGKRZSA-N 1 0 325.340 2.151 20 5 EEBDRO O=[N+]([O-])c1cnc(OC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001227108094 1301689265 /nfs/dbraw/zinc/68/92/65/1301689265.db2.gz JQVXJTMBXYYIPK-UHFFFAOYSA-N 1 0 345.315 2.341 20 5 EEBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C 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1 0 337.376 2.021 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cscn1)Cc1ccccc1[N+](=O)[O-] ZINC001235626577 1305303118 /nfs/dbraw/zinc/30/31/18/1305303118.db2.gz OPZOMQOTEMICNK-UHFFFAOYSA-N 1 0 334.401 2.303 20 5 EEBDRO CCOc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC001116206989 1305861876 /nfs/dbraw/zinc/86/18/76/1305861876.db2.gz KNXQZVWQHWHOLC-UHFFFAOYSA-N 1 0 334.376 2.331 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC001119943036 1309253769 /nfs/dbraw/zinc/25/37/69/1309253769.db2.gz WGVUJNDIZSQHTA-UHFFFAOYSA-N 1 0 333.392 2.271 20 5 EEBDRO O[C@H]1C[NH2+]C[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247749999 1310709967 /nfs/dbraw/zinc/70/99/67/1310709967.db2.gz UOOMSQRZACXAPW-UONOGXRCSA-N 1 0 347.378 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[N@@H+](CCCO)C3)sc2c1 ZINC000828461220 1314459858 /nfs/dbraw/zinc/45/98/58/1314459858.db2.gz OGLFWAWGNUZAJQ-NSHDSACASA-N 1 0 336.417 2.463 20 5 EEBDRO CCOCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001161222620 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C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccccc1C(N)=O ZINC001254546603 1318116526 /nfs/dbraw/zinc/11/65/26/1318116526.db2.gz HIJSJAUTIVRGDH-CYBMUJFWSA-N 1 0 343.383 2.293 20 5 EEBDRO COC(=O)c1cncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546569 1318116716 /nfs/dbraw/zinc/11/67/16/1318116716.db2.gz GYPFBXBHCDZCMX-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO COC(=O)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577553 1318128384 /nfs/dbraw/zinc/12/83/84/1318128384.db2.gz FMQMVSSVSUGYHW-NVXWUHKLSA-N 1 0 341.367 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3ccnn3)cc1)C2 ZINC001254589394 1318137047 /nfs/dbraw/zinc/13/70/47/1318137047.db2.gz NZAXGXTXDVBXND-MRXNPFEDSA-N 1 0 335.367 2.433 20 5 EEBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001254606089 1318142709 /nfs/dbraw/zinc/14/27/09/1318142709.db2.gz DNYSXGACPPKHGL-COXVUDFISA-N 1 0 329.400 2.005 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2C1 ZINC001157689653 1318798635 /nfs/dbraw/zinc/79/86/35/1318798635.db2.gz IGVGPPWIIQQUJD-STQMWFEESA-N 1 0 327.388 2.316 20 5 EEBDRO C[NH+]1CCN(C(=N)Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001157915171 1318927972 /nfs/dbraw/zinc/92/79/72/1318927972.db2.gz SRXOSEUZUNVBPM-UHFFFAOYSA-N 1 0 348.794 2.390 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc4ccc([N+](=O)[O-])cc4n3)n2)c1 ZINC001158042830 1318981460 /nfs/dbraw/zinc/98/14/60/1318981460.db2.gz QAQIZTPTLQRMAK-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COc1cc(N2CCN(c3cc[nH+]cc3C)CC2)ncc1[N+](=O)[O-] ZINC001158104565 1319016982 /nfs/dbraw/zinc/01/69/82/1319016982.db2.gz DVHZAHKZWUDWEO-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3nc(C)ncc3[N+](=O)[O-])C2)c1 ZINC001161188125 1320414046 /nfs/dbraw/zinc/41/40/46/1320414046.db2.gz PQEIXIACWXZSHD-AWEZNQCLSA-N 1 0 343.387 2.388 20 5 EEBDRO COCCC1(CNc2nc(C)nc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161497508 1320519586 /nfs/dbraw/zinc/51/95/86/1320519586.db2.gz UFRAALDJUZQAHL-UHFFFAOYSA-N 1 0 343.815 2.165 20 5 EEBDRO CC1(C)C[NH2+]C[C@H](CNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])O1 ZINC001161954530 1320693246 /nfs/dbraw/zinc/69/32/46/1320693246.db2.gz XLKNKVVBMSIRGC-SSDOTTSWSA-N 1 0 335.191 2.476 20 5 EEBDRO COc1cccc(C2(Nc3cc(N)c([N+](=O)[O-])cn3)CC[NH2+]CC2)c1 ZINC001161996962 1320712609 /nfs/dbraw/zinc/71/26/09/1320712609.db2.gz YHEOFIXGEYKYGV-UHFFFAOYSA-N 1 0 343.387 2.271 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162563215 1320898837 /nfs/dbraw/zinc/89/88/37/1320898837.db2.gz QNDMOXJDDNXDBT-RKDXNWHRSA-N 1 0 327.768 2.445 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2cncc3ccccc32)nc1C1C[NH2+]C1 ZINC001162751881 1320950332 /nfs/dbraw/zinc/95/03/32/1320950332.db2.gz GGYUAXNMZFQNHE-UHFFFAOYSA-N 1 0 336.355 2.232 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163197520 1321064313 /nfs/dbraw/zinc/06/43/13/1321064313.db2.gz XTBDQKQRWHJMDA-PRHODGIISA-N 1 0 346.156 2.039 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163285510 1321087663 /nfs/dbraw/zinc/08/76/63/1321087663.db2.gz VKFSZOPAUYXMMB-SUMWQHHRSA-N 1 0 335.404 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001163304352 1321092313 /nfs/dbraw/zinc/09/23/13/1321092313.db2.gz IDQNJHRPPJLDQF-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)ccnc21 ZINC001163327050 1321098460 /nfs/dbraw/zinc/09/84/60/1321098460.db2.gz IQCFFMQKZRYDDU-SJKOYZFVSA-N 1 0 328.372 2.466 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001165091499 1321453027 /nfs/dbraw/zinc/45/30/27/1321453027.db2.gz RPLXXCWHQQNETL-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO COCCC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165098027 1321454654 /nfs/dbraw/zinc/45/46/54/1321454654.db2.gz QJKRNSZHESMYNU-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO Cc1ccc(-c2ccc(N3C[C@H]4C[NH+](C)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001165153023 1321466574 /nfs/dbraw/zinc/46/65/74/1321466574.db2.gz VGIIFQVZQMHMFW-HUUCEWRRSA-N 1 0 339.399 2.358 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001165320262 1321500342 /nfs/dbraw/zinc/50/03/42/1321500342.db2.gz QPAYOJFGVPVQPH-CYBMUJFWSA-N 1 0 335.364 2.257 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC(C3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001165411896 1321520185 /nfs/dbraw/zinc/52/01/85/1321520185.db2.gz ZGGLKVKIGLHFOA-UHFFFAOYSA-N 1 0 343.840 2.196 20 5 EEBDRO CCc1nocc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001166121403 1321657722 /nfs/dbraw/zinc/65/77/22/1321657722.db2.gz SHHPWCSSSLYJGP-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO CCc1nocc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001166126500 1321658782 /nfs/dbraw/zinc/65/87/82/1321658782.db2.gz BRVVSDNZLOFIKG-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCC1CC[NH+](C(C)C)CC1 ZINC001166637185 1321756047 /nfs/dbraw/zinc/75/60/47/1321756047.db2.gz QZLAWJZDYMAJCI-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262557489 1322322964 /nfs/dbraw/zinc/32/29/64/1322322964.db2.gz CWQOYYCAOWFEKA-MRXNPFEDSA-N 1 0 349.431 2.255 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(NCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC001307179264 1329176093 /nfs/dbraw/zinc/17/60/93/1329176093.db2.gz ZGVBGGWRXODQRP-UHFFFAOYSA-N 1 0 329.404 2.404 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001307149405 1328431538 /nfs/dbraw/zinc/43/15/38/1328431538.db2.gz IRDDHHXZQBBOCI-GJZGRUSLSA-N 1 0 335.404 2.451 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)c1 ZINC001308316476 1331583721 /nfs/dbraw/zinc/58/37/21/1331583721.db2.gz PAJNLYQJLBSCAO-UHFFFAOYSA-N 1 0 333.298 2.408 20 5 EEBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308673407 1331600391 /nfs/dbraw/zinc/60/03/91/1331600391.db2.gz VEVMGTDDCTVFOU-UHFFFAOYSA-N 1 0 326.349 2.130 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001318540549 1332557745 /nfs/dbraw/zinc/55/77/45/1332557745.db2.gz KNVYAWXVTYFWAC-ZFWWWQNUSA-N 1 0 341.433 2.054 20 5 EEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001320835727 1332962229 /nfs/dbraw/zinc/96/22/29/1332962229.db2.gz BOMSGQLOPNCPQT-DLBZAZTESA-N 1 0 347.415 2.495 20 5 EEBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323760713 1333532859 /nfs/dbraw/zinc/53/28/59/1333532859.db2.gz MLZCGXNWDMRAFY-HNNXBMFYSA-N 1 0 335.404 2.484 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609166121 1351873482 /nfs/dbraw/zinc/87/34/82/1351873482.db2.gz HSQRGBMUJSGLFP-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001327088324 1334218984 /nfs/dbraw/zinc/21/89/84/1334218984.db2.gz XWVAFEHDUVJCMG-VIFPVBQESA-N 1 0 344.209 2.014 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001329331714 1334628871 /nfs/dbraw/zinc/62/88/71/1334628871.db2.gz KRHMAXDZELARKH-JKSUJKDBSA-N 1 0 340.383 2.203 20 5 EEBDRO C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001332701023 1335886268 /nfs/dbraw/zinc/88/62/68/1335886268.db2.gz UBKMSUBWPOXAOG-JTQLQIEISA-N 1 0 328.210 2.493 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1-c1nn[nH]n1 ZINC001609600213 1352030538 /nfs/dbraw/zinc/03/05/38/1352030538.db2.gz XCEDVNICFIZYGU-GFCCVEGCSA-N 1 0 343.391 2.204 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001333734595 1336118375 /nfs/dbraw/zinc/11/83/75/1336118375.db2.gz QFIAHZNZNHOLPQ-MRXNPFEDSA-N 1 0 346.431 2.116 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001339467611 1337009508 /nfs/dbraw/zinc/00/95/08/1337009508.db2.gz ORDDYQJEHZRZFJ-KCQAQPDRSA-N 1 0 348.451 2.089 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001341874878 1337304188 /nfs/dbraw/zinc/30/41/88/1337304188.db2.gz ZKCGTNCADOFCNE-VIFPVBQESA-N 1 0 331.294 2.425 20 5 EEBDRO Cc1c(CC(=O)NC2(C(F)(F)F)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001579529816 1344393329 /nfs/dbraw/zinc/39/33/29/1344393329.db2.gz NCAGKCIFKRUFHM-UHFFFAOYSA-N 1 0 345.321 2.246 20 5 EEBDRO Cc1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc([N+](=O)[O-])c1 ZINC001579635680 1344401347 /nfs/dbraw/zinc/40/13/47/1344401347.db2.gz ZGRBRBUJACKHLV-AWEZNQCLSA-N 1 0 329.360 2.277 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1F ZINC001579642687 1344402382 /nfs/dbraw/zinc/40/23/82/1344402382.db2.gz QNFDUPXECZQZGG-NXEZZACHSA-N 1 0 327.331 2.238 20 5 EEBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001604090093 1350852939 /nfs/dbraw/zinc/85/29/39/1350852939.db2.gz NMWNIWNVUFTZHG-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001103644068 1371044606 /nfs/dbraw/zinc/04/46/06/1371044606.db2.gz FQUXAOWPJPPGPM-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001342721559 1372950343 /nfs/dbraw/zinc/95/03/43/1372950343.db2.gz DQSVIAALOWZKTE-SECBINFHSA-N 1 0 329.759 2.127 20 5 EEBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC001576085243 1403559791 /nfs/dbraw/zinc/55/97/91/1403559791.db2.gz JPBPMMTXKMSSKV-DODZYUBVSA-N 1 0 337.379 2.223 20 5 EEBDRO [NH3+]CC1(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001580244013 1403852978 /nfs/dbraw/zinc/85/29/78/1403852978.db2.gz HWBZBJIGQAQHBG-UHFFFAOYSA-N 1 0 331.294 2.472 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCCCCO)CC1 ZINC000173519905 1405744495 /nfs/dbraw/zinc/74/44/95/1405744495.db2.gz XWRLJEYUAWCPMJ-UHFFFAOYSA-N 1 0 349.431 2.295 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001164672378 719447983 /nfs/dbraw/zinc/44/79/83/719447983.db2.gz RCRRVLLXWPFLMA-HUUCEWRRSA-N 1 0 348.790 2.316 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727358 720352119 /nfs/dbraw/zinc/35/21/19/720352119.db2.gz SXFXWFJVZXKRQL-HUUCEWRRSA-N 1 0 343.362 2.377 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCc3nccn3CC2)c1 ZINC001167182019 757464481 /nfs/dbraw/zinc/46/44/81/757464481.db2.gz KLYCAEHRINCNCR-UHFFFAOYSA-N 1 0 344.762 2.451 20 5 EEBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167623973 760756796 /nfs/dbraw/zinc/75/67/96/760756796.db2.gz FCRVNGGDBWRQLA-UHFFFAOYSA-N 1 0 328.800 2.366 20 5 EEBDRO CCN(CCNC(=O)C1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100642438 761120564 /nfs/dbraw/zinc/12/05/64/761120564.db2.gz XJHLPJDKMHCILG-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001167752675 769542248 /nfs/dbraw/zinc/54/22/48/769542248.db2.gz WTBAUTLPPCCTEM-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1ccccc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981763926 778159446 /nfs/dbraw/zinc/15/94/46/778159446.db2.gz MTVYDYMKPOKJKH-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO [NH3+]CCc1cn(-c2ccc3ncc([N+](=O)[O-])n3c2)c2ccc(O)cc12 ZINC001167985609 781377513 /nfs/dbraw/zinc/37/75/13/781377513.db2.gz ILVRNILMHJJHOC-UHFFFAOYSA-N 1 0 337.339 2.393 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000843777778 781748705 /nfs/dbraw/zinc/74/87/05/781748705.db2.gz CLEYLMBUBYXNRR-UHFFFAOYSA-N 1 0 335.339 2.053 20 5 EEBDRO Cn1cnc2cc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000809733197 783316170 /nfs/dbraw/zinc/31/61/70/783316170.db2.gz RIBCAKUFFWPCJS-QGZVFWFLSA-N 1 0 326.356 2.305 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000906095224 783696673 /nfs/dbraw/zinc/69/66/73/783696673.db2.gz WAZPFWOBIFQNCI-NWDGAFQWSA-N 1 0 338.383 2.252 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000907805108 784858231 /nfs/dbraw/zinc/85/82/31/784858231.db2.gz NWLNTHLWVCRJSV-AOOOYVTPSA-N 1 0 327.743 2.021 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818563896 785293952 /nfs/dbraw/zinc/29/39/52/785293952.db2.gz VRZHQCKBHTWPHP-DTWKUNHWSA-N 1 0 329.759 2.126 20 5 EEBDRO Cn1nc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000819241256 785464899 /nfs/dbraw/zinc/46/48/99/785464899.db2.gz MKQCLRWBHAUKBX-SFHVURJKSA-N 1 0 340.383 2.347 20 5 EEBDRO C[NH+](C)C1(C(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001107379918 787070994 /nfs/dbraw/zinc/07/09/94/787070994.db2.gz OXMBBAIBYNCRMV-ONEGZZNKSA-N 1 0 332.404 2.163 20 5 EEBDRO CCc1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000824445540 788173337 /nfs/dbraw/zinc/17/33/37/788173337.db2.gz DOWXEZPNBXNCIY-UHFFFAOYSA-N 1 0 330.392 2.034 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000824559042 788215021 /nfs/dbraw/zinc/21/50/21/788215021.db2.gz CZGOBQQMVYTLEA-AWEZNQCLSA-N 1 0 327.812 2.185 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000824893005 788336651 /nfs/dbraw/zinc/33/66/51/788336651.db2.gz IHWOKDXDDGROKR-RISCZKNCSA-N 1 0 340.221 2.493 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000923299274 789321389 /nfs/dbraw/zinc/32/13/89/789321389.db2.gz RNFFNQCYAJAHLN-QWHCGFSZSA-N 1 0 328.372 2.385 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923441392 789567666 /nfs/dbraw/zinc/56/76/66/789567666.db2.gz KEASJWJTWWKJFY-GARJFASQSA-N 1 0 340.811 2.257 20 5 EEBDRO O=C(C(F)F)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997448053 789930555 /nfs/dbraw/zinc/93/05/55/789930555.db2.gz DZBATDPWIFSNEL-UHFFFAOYSA-N 1 0 333.360 2.250 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172424227 791672737 /nfs/dbraw/zinc/67/27/37/791672737.db2.gz FWSPKJGEJFRFIW-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173497482 791862041 /nfs/dbraw/zinc/86/20/41/791862041.db2.gz YXFMGZGGXIDEFF-CQSZACIVSA-N 1 0 344.419 2.084 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001171389252 794475713 /nfs/dbraw/zinc/47/57/13/794475713.db2.gz JPYYBNAIMSTYSG-JTQLQIEISA-N 1 0 325.328 2.329 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171394487 794567412 /nfs/dbraw/zinc/56/74/12/794567412.db2.gz RMSVPHNLPIMVIO-GFCCVEGCSA-N 1 0 343.339 2.239 20 5 EEBDRO O=[N+]([O-])c1c(N[C@H]2CCNc3ccccc32)ncnc1C1C[NH2+]C1 ZINC001168646759 795497071 /nfs/dbraw/zinc/49/70/71/795497071.db2.gz SZMJFWMGPAUMKX-ZDUSSCGKSA-N 1 0 326.360 2.040 20 5 EEBDRO Cc1cc(NCCNC(=O)C[N@@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC001094141366 795992485 /nfs/dbraw/zinc/99/24/85/795992485.db2.gz RPBBRHIBLVIWGW-UHFFFAOYSA-N 1 0 336.436 2.409 20 5 EEBDRO CC1(C(N)=O)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914230 797148105 /nfs/dbraw/zinc/14/81/05/797148105.db2.gz FGQXBESAOSLHBL-HNNXBMFYSA-N 1 0 331.416 2.430 20 5 EEBDRO CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CN(C)C1 ZINC001173192293 797282192 /nfs/dbraw/zinc/28/21/92/797282192.db2.gz KYXOZJQYRSTVKS-LLVKDONJSA-N 1 0 325.384 2.309 20 5 EEBDRO CCO[C@@H]1C[C@H]2CN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C1 ZINC001173224459 797307438 /nfs/dbraw/zinc/30/74/38/797307438.db2.gz HAHIRPNMLSGUGY-JCGIZDLHSA-N 1 0 333.432 2.321 20 5 EEBDRO [NH3+]CCc1ccc(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001212218604 797986290 /nfs/dbraw/zinc/98/62/90/797986290.db2.gz ZUGNWRSUTXFLBF-UHFFFAOYSA-N 1 0 343.318 2.271 20 5 EEBDRO CC(C)=CC(=O)NCCCCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001177824324 799115244 /nfs/dbraw/zinc/11/52/44/799115244.db2.gz JBBWYQFBFDDELM-UHFFFAOYSA-N 1 0 337.424 2.061 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001168979859 803544291 /nfs/dbraw/zinc/54/42/91/803544291.db2.gz BNQQMLJSSCFYGP-GDAAHCPNSA-N 1 0 347.459 2.311 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984271 803547957 /nfs/dbraw/zinc/54/79/57/803547957.db2.gz LPCHEFHRFIHCKR-MQYQWHSLSA-N 1 0 327.425 2.467 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967109 803552528 /nfs/dbraw/zinc/55/25/28/803552528.db2.gz NHLPRDOYXLOHGD-GUYCJALGSA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC001168996053 803562592 /nfs/dbraw/zinc/56/25/92/803562592.db2.gz UNWOHRDCESHZHR-WBVHZDCISA-N 1 0 333.432 2.392 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011290 803570821 /nfs/dbraw/zinc/57/08/21/803570821.db2.gz JIITYRFTMFSJRL-YTFOTSKYSA-N 1 0 339.436 2.419 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034136 803578521 /nfs/dbraw/zinc/57/85/21/803578521.db2.gz FMAMLEJXFBMIHP-CZUORRHYSA-N 1 0 335.379 2.029 20 5 EEBDRO NC(=O)c1ccc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036762 803580239 /nfs/dbraw/zinc/58/02/39/803580239.db2.gz HHVOZPXTRKEEED-DZGCQCFKSA-N 1 0 347.415 2.074 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCCC1 ZINC001169044780 803586067 /nfs/dbraw/zinc/58/60/67/803586067.db2.gz IYOXRSXUWMFMOB-GDBMZVCRSA-N 1 0 338.452 2.092 20 5 EEBDRO O=C1CCc2cc(N3CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)ccc21 ZINC001169054477 803597242 /nfs/dbraw/zinc/59/72/42/803597242.db2.gz MGMWHCQWVKTVRD-GOEBONIOSA-N 1 0 343.427 2.383 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)c1ccccc1F ZINC001169056357 803597648 /nfs/dbraw/zinc/59/76/48/803597648.db2.gz SJNBQJVXRSBKFD-KFWWJZLASA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H](C2CCC2)C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001169284599 803679485 /nfs/dbraw/zinc/67/94/85/803679485.db2.gz AYGGOEPHZLOOCB-NSHDSACASA-N 1 0 331.298 2.215 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157262740 807176960 /nfs/dbraw/zinc/17/69/60/807176960.db2.gz YCCGSDUVJNYWFP-DTWKUNHWSA-N 1 0 343.840 2.291 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=S)NNc1cccc(F)c1[N+](=O)[O-] ZINC000790606903 808831829 /nfs/dbraw/zinc/83/18/29/808831829.db2.gz FKSBUUXGTZLBND-UHFFFAOYSA-N 1 0 343.428 2.113 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790910441 808992668 /nfs/dbraw/zinc/99/26/68/808992668.db2.gz APFSAULBJRWXKH-NXEZZACHSA-N 1 0 343.786 2.481 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791797613 809422354 /nfs/dbraw/zinc/42/23/54/809422354.db2.gz VBFVPUJYRKVEDO-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO O=C(OCCOc1cccc([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000792548777 809793621 /nfs/dbraw/zinc/79/36/21/809793621.db2.gz DRPFWMJIIFCAIP-UHFFFAOYSA-N 1 0 327.296 2.478 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1F ZINC001170284153 809880582 /nfs/dbraw/zinc/88/05/82/809880582.db2.gz PRPJHHFOEKZNII-NFAWXSAZSA-N 1 0 327.356 2.179 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001130137549 811211247 /nfs/dbraw/zinc/21/12/47/811211247.db2.gz FKDQODCCFFNETJ-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO COCc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001130944421 812225188 /nfs/dbraw/zinc/22/51/88/812225188.db2.gz NTWAVLGRNGCICP-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000808190728 812505619 /nfs/dbraw/zinc/50/56/19/812505619.db2.gz IHRDZSLXJJHBRV-BBRMVZONSA-N 1 0 329.404 2.461 20 5 EEBDRO Cc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1Br ZINC001170573856 813021040 /nfs/dbraw/zinc/02/10/40/813021040.db2.gz LDNRPJHEEICGKS-ZANVPECISA-N 1 0 344.209 2.455 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174565994 231243860 /nfs/dbraw/zinc/24/38/60/231243860.db2.gz OTPKLSGWWYHPCX-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO CC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000164518096 529594910 /nfs/dbraw/zinc/59/49/10/529594910.db2.gz FTMCVCSYZKVSBI-MRXNPFEDSA-N 1 0 335.404 2.305 20 5 EEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000183009070 529631624 /nfs/dbraw/zinc/63/16/24/529631624.db2.gz VIWBUXRSVGEFCE-INIZCTEOSA-N 1 0 349.412 2.483 20 5 EEBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908779 219171672 /nfs/dbraw/zinc/17/16/72/219171672.db2.gz JHTXRMRCZIPIJP-OAHLLOKOSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181840512 234346385 /nfs/dbraw/zinc/34/63/85/234346385.db2.gz ZVIGNZYPJNYVRV-GUTXKFCHSA-N 1 0 335.404 2.238 20 5 EEBDRO C[C@H]1SCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000181895194 234370638 /nfs/dbraw/zinc/37/06/38/234370638.db2.gz RPPGQIFDFAEPST-UPJWGTAASA-N 1 0 326.418 2.160 20 5 EEBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193673796 240260052 /nfs/dbraw/zinc/26/00/52/240260052.db2.gz MZLDGJNGISTQGW-MEDUHNTESA-N 1 0 329.356 2.469 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193673814 240260160 /nfs/dbraw/zinc/26/01/60/240260160.db2.gz MZLDGJNGISTQGW-BZNIZROVSA-N 1 0 329.356 2.469 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423612100 240544060 /nfs/dbraw/zinc/54/40/60/240544060.db2.gz NQXKNJXWHBCEQN-GFCCVEGCSA-N 1 0 328.372 2.344 20 5 EEBDRO C[C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000423719215 240582731 /nfs/dbraw/zinc/58/27/31/240582731.db2.gz DXNSCUNKPVCYAB-SNVBAGLBSA-N 1 0 331.376 2.435 20 5 EEBDRO CSc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425065547 241118412 /nfs/dbraw/zinc/11/84/12/241118412.db2.gz LRHDQXHMAOPYDX-WCQYABFASA-N 1 0 335.429 2.483 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447544512 242286444 /nfs/dbraw/zinc/28/64/44/242286444.db2.gz VUYWUIGVPCVICW-KRWDZBQOSA-N 1 0 347.415 2.199 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449720930 242613739 /nfs/dbraw/zinc/61/37/39/242613739.db2.gz TVDZHHIPQVFGDF-LSDHHAIUSA-N 1 0 349.434 2.398 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237452327 242643377 /nfs/dbraw/zinc/64/33/77/242643377.db2.gz SDLAJKZQNNHEIK-LRDDRELGSA-N 1 0 343.387 2.122 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)nc2c1 ZINC000451615596 243178488 /nfs/dbraw/zinc/17/84/88/243178488.db2.gz QCUVIHNHRBNADS-SUMWQHHRSA-N 1 0 330.388 2.358 20 5 EEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000451655606 243195210 /nfs/dbraw/zinc/19/52/10/243195210.db2.gz SRDJUDRESCJATC-TXEJJXNPSA-N 1 0 327.812 2.135 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459752556 245236933 /nfs/dbraw/zinc/23/69/33/245236933.db2.gz IOWFDIJGZHJXGO-GJZGRUSLSA-N 1 0 333.388 2.471 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772195 245242024 /nfs/dbraw/zinc/24/20/24/245242024.db2.gz SBSNARMRFKKJPA-HZPDHXFCSA-N 1 0 345.399 2.031 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459784215 245246847 /nfs/dbraw/zinc/24/68/47/245246847.db2.gz JEKUPUUXHOXCSD-GFCCVEGCSA-N 1 0 331.376 2.316 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000078575948 217079532 /nfs/dbraw/zinc/07/95/32/217079532.db2.gz KZNROEROURTVDA-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000266029561 248044871 /nfs/dbraw/zinc/04/48/71/248044871.db2.gz RMQMIOUKWPXTPY-QGZVFWFLSA-N 1 0 330.388 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000266134950 248120824 /nfs/dbraw/zinc/12/08/24/248120824.db2.gz FKBZXKOSPGCMTB-KRWDZBQOSA-N 1 0 336.436 2.287 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000266398727 248281562 /nfs/dbraw/zinc/28/15/62/248281562.db2.gz PACNFFWVGKSSFK-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000266499857 248333040 /nfs/dbraw/zinc/33/30/40/248333040.db2.gz WVFKMTBGTGHKPC-JKSUJKDBSA-N 1 0 334.351 2.128 20 5 EEBDRO CC1(C)CC(NC(=O)COc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000010814688 211191618 /nfs/dbraw/zinc/19/16/18/211191618.db2.gz WWSOIDCOOWQQLJ-UHFFFAOYSA-N 1 0 335.404 2.399 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@@H+]4CCCC[C@H]4C3)n2)cc1 ZINC000359456333 285106887 /nfs/dbraw/zinc/10/68/87/285106887.db2.gz SXANEKJQOCFGFR-AWEZNQCLSA-N 1 0 329.360 2.319 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267377671 256053552 /nfs/dbraw/zinc/05/35/52/256053552.db2.gz RKQOPYBHEYMJQG-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO Cc1c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267203996 256037162 /nfs/dbraw/zinc/03/71/62/256037162.db2.gz RCACMNXGWATACF-HNNXBMFYSA-N 1 0 338.433 2.462 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220428 256038963 /nfs/dbraw/zinc/03/89/63/256038963.db2.gz CXUANUJURYIGPS-NEPJUHHUSA-N 1 0 341.433 2.283 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067988 256204617 /nfs/dbraw/zinc/20/46/17/256204617.db2.gz DLFZGROERHLTTA-NEPJUHHUSA-N 1 0 342.417 2.079 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127381 256211110 /nfs/dbraw/zinc/21/11/10/256211110.db2.gz KTXHEAZEOMNGKN-XHDPSFHLSA-N 1 0 334.376 2.111 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000272898167 256247436 /nfs/dbraw/zinc/24/74/36/256247436.db2.gz ZZCYECYOMTUESJ-CYBMUJFWSA-N 1 0 332.360 2.081 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273927514 256339142 /nfs/dbraw/zinc/33/91/42/256339142.db2.gz HFQFPTGVQPVTAF-GFCCVEGCSA-N 1 0 337.395 2.422 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000273422948 256295015 /nfs/dbraw/zinc/29/50/15/256295015.db2.gz ZCHXXHBKHAHYRZ-HIFRSBDPSA-N 1 0 331.372 2.500 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000275803148 256380785 /nfs/dbraw/zinc/38/07/85/256380785.db2.gz UMWADDUBUUZAES-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000119694762 221379375 /nfs/dbraw/zinc/37/93/75/221379375.db2.gz FQFFWBVYZDAJLF-HNNXBMFYSA-N 1 0 348.447 2.491 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655699 533543551 /nfs/dbraw/zinc/54/35/51/533543551.db2.gz CWXZKKWMRUQLQU-SKDRFNHKSA-N 1 0 331.294 2.409 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000179139593 296514423 /nfs/dbraw/zinc/51/44/23/296514423.db2.gz PFTZZUKWXCVWFM-ZBFHGGJFSA-N 1 0 334.416 2.437 20 5 EEBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000092756699 159226633 /nfs/dbraw/zinc/22/66/33/159226633.db2.gz ZIIRORNCTBZCAX-CQSZACIVSA-N 1 0 335.404 2.282 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000107685304 159334983 /nfs/dbraw/zinc/33/49/83/159334983.db2.gz QDRJMDZBLKDIJK-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247328146 160320311 /nfs/dbraw/zinc/32/03/11/160320311.db2.gz WSHKYJMGWAPUTH-IJEWVQPXSA-N 1 0 346.431 2.338 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342275187 161052658 /nfs/dbraw/zinc/05/26/58/161052658.db2.gz ALSASYZBFXLIQB-NEPJUHHUSA-N 1 0 326.324 2.127 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccs2)cc1 ZINC000342360415 161059374 /nfs/dbraw/zinc/05/93/74/161059374.db2.gz RQOFOCOJBFMGCJ-UHFFFAOYSA-N 1 0 326.399 2.220 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000342428147 161064643 /nfs/dbraw/zinc/06/46/43/161064643.db2.gz VWZCLOWKPFIVMI-UHFFFAOYSA-N 1 0 342.399 2.303 20 5 EEBDRO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000342695757 161083880 /nfs/dbraw/zinc/08/38/80/161083880.db2.gz PZIDNOCTJOMPAE-ZIAGYGMSSA-N 1 0 347.371 2.468 20 5 EEBDRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000342695753 161083883 /nfs/dbraw/zinc/08/38/83/161083883.db2.gz PZIDNOCTJOMPAE-KGLIPLIRSA-N 1 0 347.371 2.468 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343542639 161145043 /nfs/dbraw/zinc/14/50/43/161145043.db2.gz YPXWIFXJRPACNT-IUODEOHRSA-N 1 0 330.388 2.148 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000343930257 161181436 /nfs/dbraw/zinc/18/14/36/161181436.db2.gz RYHCRRDDYFOCAK-GFCCVEGCSA-N 1 0 341.433 2.285 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000344363287 161220610 /nfs/dbraw/zinc/22/06/10/161220610.db2.gz SUMOMMWNFSWOBH-UHFFFAOYSA-N 1 0 349.431 2.472 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000345840274 161336387 /nfs/dbraw/zinc/33/63/87/161336387.db2.gz HWHIWHCIVIAXEK-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CCCCC1 ZINC000345854066 161337652 /nfs/dbraw/zinc/33/76/52/161337652.db2.gz UGUOKXANXNMQPY-UHFFFAOYSA-N 1 0 335.404 2.402 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345941774 161344247 /nfs/dbraw/zinc/34/42/47/161344247.db2.gz DNDINWQMYWMQLR-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000346327846 161363601 /nfs/dbraw/zinc/36/36/01/161363601.db2.gz IRNOIJYWMPOLFB-DVOMOZLQSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@H](C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CO)c1ccccc1 ZINC000347443633 161452847 /nfs/dbraw/zinc/45/28/47/161452847.db2.gz FYKMDZBANQNEOU-KGLIPLIRSA-N 1 0 332.404 2.315 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237578870 298528996 /nfs/dbraw/zinc/52/89/96/298528996.db2.gz URBCUKZGOBXVMU-HZSPNIEDSA-N 1 0 348.447 2.402 20 5 EEBDRO O=C(CC[NH+]1CCC(CCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360099645 164232413 /nfs/dbraw/zinc/23/24/13/164232413.db2.gz UOHBKWYKDBVDMI-UHFFFAOYSA-N 1 0 335.404 2.408 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000360301717 164279576 /nfs/dbraw/zinc/27/95/76/164279576.db2.gz XCBNSSAEJYPHDR-UHFFFAOYSA-N 1 0 338.408 2.383 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000360805068 164383590 /nfs/dbraw/zinc/38/35/90/164383590.db2.gz YWGTZUVHTGIQSZ-LBPRGKRZSA-N 1 0 345.403 2.188 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362843917 164811523 /nfs/dbraw/zinc/81/15/23/164811523.db2.gz SJPIIVWFBNCZCG-XFJVYGCCSA-N 1 0 335.429 2.367 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368245566 166075567 /nfs/dbraw/zinc/07/55/67/166075567.db2.gz VHFKNSTVKOZYET-DZUCGIPZSA-N 1 0 336.436 2.443 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364984086 165341928 /nfs/dbraw/zinc/34/19/28/165341928.db2.gz SKNLPZDXTPAKGE-WBAXXEDZSA-N 1 0 333.432 2.495 20 5 EEBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368700455 166110824 /nfs/dbraw/zinc/11/08/24/166110824.db2.gz TVCKYMAATRVBFO-MRXNPFEDSA-N 1 0 343.431 2.425 20 5 EEBDRO COc1cccc(NC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000370029911 166379929 /nfs/dbraw/zinc/37/99/29/166379929.db2.gz ULSVXXIESMIADT-UHFFFAOYSA-N 1 0 345.403 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000373805473 166960693 /nfs/dbraw/zinc/96/06/93/166960693.db2.gz DKIOZWUOHQOPRP-OWRWGESLSA-N 1 0 349.387 2.088 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520813 167342902 /nfs/dbraw/zinc/34/29/02/167342902.db2.gz XINYDKVKIDVESZ-WCQYABFASA-N 1 0 347.371 2.022 20 5 EEBDRO CCc1ccc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271708996 268854196 /nfs/dbraw/zinc/85/41/96/268854196.db2.gz JFICSDPITHZMTB-MRXNPFEDSA-N 1 0 332.404 2.240 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778588 268859266 /nfs/dbraw/zinc/85/92/66/268859266.db2.gz LDINLXZOLYSUEH-IUODEOHRSA-N 1 0 340.330 2.171 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272697290 269010481 /nfs/dbraw/zinc/01/04/81/269010481.db2.gz YBRDGMCFMBSBEL-BXUZGUMPSA-N 1 0 335.429 2.483 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274904262 269071924 /nfs/dbraw/zinc/07/19/24/269071924.db2.gz QWQIHFAHLAZVKT-GFCCVEGCSA-N 1 0 336.392 2.080 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000277407537 269153256 /nfs/dbraw/zinc/15/32/56/269153256.db2.gz YXFYVWBEBBKPBO-CQSZACIVSA-N 1 0 335.404 2.468 20 5 EEBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000283903469 269556811 /nfs/dbraw/zinc/55/68/11/269556811.db2.gz DAZDKUDHKGNHAT-NSHDSACASA-N 1 0 336.392 2.449 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)COC1 ZINC000271575317 274142866 /nfs/dbraw/zinc/14/28/66/274142866.db2.gz ZGZAYZVVCVXNNG-LBPRGKRZSA-N 1 0 326.418 2.064 20 5 EEBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000274684051 274215608 /nfs/dbraw/zinc/21/56/08/274215608.db2.gz OMRORSIUOWYOLN-UHFFFAOYSA-N 1 0 326.372 2.229 20 5 EEBDRO CC1(C)CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000275383257 274243524 /nfs/dbraw/zinc/24/35/24/274243524.db2.gz BLPTVZYFEDANRP-CYBMUJFWSA-N 1 0 341.795 2.280 20 5 EEBDRO CC[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCOC ZINC000275389755 274244702 /nfs/dbraw/zinc/24/47/02/274244702.db2.gz QDQMIBWODWCNHX-CYBMUJFWSA-N 1 0 334.420 2.110 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000192799531 274271460 /nfs/dbraw/zinc/27/14/60/274271460.db2.gz KXLBGHYUTHZKCQ-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989263 274423535 /nfs/dbraw/zinc/42/35/35/274423535.db2.gz DPNYWBUAYZFXLM-IAQYHMDHSA-N 1 0 338.429 2.342 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153702 274439300 /nfs/dbraw/zinc/43/93/00/274439300.db2.gz ASWVAVPVRYFUFU-ZWNOBZJWSA-N 1 0 341.795 2.327 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000285482430 274739364 /nfs/dbraw/zinc/73/93/64/274739364.db2.gz LPOQPHBFVJAEJE-AWEZNQCLSA-N 1 0 347.337 2.256 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285850687 274803252 /nfs/dbraw/zinc/80/32/52/274803252.db2.gz PHRCQEDLPXSCRC-ZFWWWQNUSA-N 1 0 333.388 2.059 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288454440 275060072 /nfs/dbraw/zinc/06/00/72/275060072.db2.gz NZNNMSMSLRPVRN-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO Cc1cnccc1OC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000289478383 275119627 /nfs/dbraw/zinc/11/96/27/275119627.db2.gz XSHQFPHGCQWKOE-UHFFFAOYSA-N 1 0 331.376 2.038 20 5 EEBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000291223884 275283919 /nfs/dbraw/zinc/28/39/19/275283919.db2.gz LSVATLORASYZIT-NEPJUHHUSA-N 1 0 339.392 2.287 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000292058404 275369480 /nfs/dbraw/zinc/36/94/80/275369480.db2.gz UEXSUCJDLQPIBP-SNVBAGLBSA-N 1 0 326.372 2.166 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449692903 276138243 /nfs/dbraw/zinc/13/82/43/276138243.db2.gz BUJXRIKFMCGZCA-MRXNPFEDSA-N 1 0 346.431 2.313 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000133284279 277300106 /nfs/dbraw/zinc/30/01/06/277300106.db2.gz HCLDBOCOMKQAIN-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000261703846 278121767 /nfs/dbraw/zinc/12/17/67/278121767.db2.gz BOGLLIJXUKTRDC-ZDUSSCGKSA-N 1 0 342.193 2.168 20 5 EEBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360050313 280544487 /nfs/dbraw/zinc/54/44/87/280544487.db2.gz KDRHUDSWNTWKSB-UHFFFAOYSA-N 1 0 347.337 2.473 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000236668272 281838395 /nfs/dbraw/zinc/83/83/95/281838395.db2.gz KXADLASDOAPNSS-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000429076926 290454251 /nfs/dbraw/zinc/45/42/51/290454251.db2.gz FTGXOVAWRIEFPE-ZFWWWQNUSA-N 1 0 346.431 2.313 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC2CCOCC2)CC1 ZINC000292973979 293091753 /nfs/dbraw/zinc/09/17/53/293091753.db2.gz QGNJUKGKEDCYGW-UHFFFAOYSA-N 1 0 347.415 2.169 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000293127844 293132809 /nfs/dbraw/zinc/13/28/09/293132809.db2.gz RWWWSKKRQRSMMF-MRXNPFEDSA-N 1 0 335.404 2.228 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294076322 293364231 /nfs/dbraw/zinc/36/42/31/293364231.db2.gz JLBSRKSIEZUUMB-GOSISDBHSA-N 1 0 346.431 2.219 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C)C[N@@H+]1C ZINC000408435057 297079604 /nfs/dbraw/zinc/07/96/04/297079604.db2.gz LAIFGAUPTFFFAM-KGLIPLIRSA-N 1 0 346.431 2.360 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861653 294904714 /nfs/dbraw/zinc/90/47/14/294904714.db2.gz DUROEIABPCFHOU-RYUDHWBXSA-N 1 0 341.433 2.283 20 5 EEBDRO NC(=O)c1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000342774179 295187884 /nfs/dbraw/zinc/18/78/84/295187884.db2.gz BUQILDBIPHDSKT-IUODEOHRSA-N 1 0 344.415 2.147 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1C ZINC000342905008 301858364 /nfs/dbraw/zinc/85/83/64/301858364.db2.gz VYPLDBUJXCEBAG-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000334001504 312226353 /nfs/dbraw/zinc/22/63/53/312226353.db2.gz UFIKRGQEEXXUSC-UPJWGTAASA-N 1 0 335.404 2.397 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnnn1CC1CC1 ZINC000349424419 312303935 /nfs/dbraw/zinc/30/39/35/312303935.db2.gz MYXBHRUCRQYZOA-GFCCVEGCSA-N 1 0 330.392 2.102 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCOC1 ZINC000355374577 312395411 /nfs/dbraw/zinc/39/54/11/312395411.db2.gz VJDQEBFLFMIJKR-WOSRLPQWSA-N 1 0 333.388 2.105 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415768416 313182148 /nfs/dbraw/zinc/18/21/48/313182148.db2.gz VMGYSHIAEAEGRQ-HZMBPMFUSA-N 1 0 336.392 2.392 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417994100 313680661 /nfs/dbraw/zinc/68/06/61/313680661.db2.gz QTNWEJBVROTJHK-CMPLNLGQSA-N 1 0 340.811 2.169 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](CO)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420947644 314006475 /nfs/dbraw/zinc/00/64/75/314006475.db2.gz UEILNLCKAFEIOO-GXTWGEPZSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1cc(NCCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425265785 314368284 /nfs/dbraw/zinc/36/82/84/314368284.db2.gz XEBSQFXGTDREBN-UHFFFAOYSA-N 1 0 337.401 2.110 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000430577973 314550469 /nfs/dbraw/zinc/55/04/69/314550469.db2.gz OHSFTXIMWNPRLW-CYBMUJFWSA-N 1 0 346.431 2.386 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000432994632 314739142 /nfs/dbraw/zinc/73/91/42/314739142.db2.gz ALMLKRZMAFJGKW-RFQIPJPRSA-N 1 0 336.392 2.206 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000439075574 315066387 /nfs/dbraw/zinc/06/63/87/315066387.db2.gz GUQIUXWNIWYYHC-RAEVTNRLSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1ccccc1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441280541 315178466 /nfs/dbraw/zinc/17/84/66/315178466.db2.gz SGGKCLXVUSOFMQ-QGZVFWFLSA-N 1 0 330.388 2.125 20 5 EEBDRO CCCC[C@H](C(=O)OC)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000524069943 317006694 /nfs/dbraw/zinc/00/66/94/317006694.db2.gz JEZQCHDSAKXABG-MRXNPFEDSA-N 1 0 335.404 2.449 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524879223 317032940 /nfs/dbraw/zinc/03/29/40/317032940.db2.gz HHECXOVEYORPNU-DZGCQCFKSA-N 1 0 349.431 2.477 20 5 EEBDRO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000531311273 317785870 /nfs/dbraw/zinc/78/58/70/317785870.db2.gz HITKHQIJQKTPQB-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(C[NH2+][C@H](CO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542912328 318147104 /nfs/dbraw/zinc/14/71/04/318147104.db2.gz WNWGLKDYRSPION-MRXNPFEDSA-N 1 0 347.415 2.015 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543751952 318172056 /nfs/dbraw/zinc/17/20/56/318172056.db2.gz XJPXXVZDKCDQNU-QWHCGFSZSA-N 1 0 334.420 2.316 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000548382466 318383366 /nfs/dbraw/zinc/38/33/66/318383366.db2.gz FLFXZSVFZLWOSC-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000548410832 318386898 /nfs/dbraw/zinc/38/68/98/318386898.db2.gz JMLTYVPZLXMNMY-LBPRGKRZSA-N 1 0 337.405 2.192 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)[NH+]2CC(C)C2)c([N+](=O)[O-])c1 ZINC000563823406 319046825 /nfs/dbraw/zinc/04/68/25/319046825.db2.gz SMMUZEGLXCVCQH-CQSZACIVSA-N 1 0 334.420 2.162 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000564565771 319091515 /nfs/dbraw/zinc/09/15/15/319091515.db2.gz WVBDOFJAXRXPIN-YPMHNXCESA-N 1 0 329.360 2.416 20 5 EEBDRO COCC1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000564859222 319119138 /nfs/dbraw/zinc/11/91/38/319119138.db2.gz XUNISGLQHHUJPD-NRXISQOPSA-N 1 0 338.404 2.129 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000566251215 319264717 /nfs/dbraw/zinc/26/47/17/319264717.db2.gz NFCAHAGBRJJIAD-HIFRSBDPSA-N 1 0 346.431 2.055 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000566855688 319327172 /nfs/dbraw/zinc/32/71/72/319327172.db2.gz XQZKJPOLHFVWQQ-UHFFFAOYSA-N 1 0 349.412 2.094 20 5 EEBDRO CCOC(=O)c1ccnc(NCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000569856026 319614757 /nfs/dbraw/zinc/61/47/57/319614757.db2.gz LAOQPOXPJIGYFS-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181827346 323357744 /nfs/dbraw/zinc/35/77/44/323357744.db2.gz QNQJNXSBKAOCOF-LBPRGKRZSA-N 1 0 336.392 2.180 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382462251 323525081 /nfs/dbraw/zinc/52/50/81/323525081.db2.gz XBMWIBGYXUHDJV-WDEREUQCSA-N 1 0 342.193 2.357 20 5 EEBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000581365272 324238058 /nfs/dbraw/zinc/23/80/58/324238058.db2.gz KXQXZAMTPOFZBW-KRWDZBQOSA-N 1 0 344.367 2.327 20 5 EEBDRO CC(C)NC(=O)NCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000581604866 324288267 /nfs/dbraw/zinc/28/82/67/324288267.db2.gz BINFLXFKRJFCMN-OAHLLOKOSA-N 1 0 334.420 2.482 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000581996149 324357747 /nfs/dbraw/zinc/35/77/47/324357747.db2.gz NIOYVQMEIZRNHU-OAHLLOKOSA-N 1 0 332.404 2.283 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC000600953970 449614281 /nfs/dbraw/zinc/61/42/81/449614281.db2.gz IKHUDOCZUATWMB-CYBMUJFWSA-N 1 0 332.335 2.196 20 5 EEBDRO COc1ccccc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315847 465028850 /nfs/dbraw/zinc/02/88/50/465028850.db2.gz HUNQTOREYAZXNM-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000354686337 465094956 /nfs/dbraw/zinc/09/49/56/465094956.db2.gz ICIORILFFPWPFW-INIZCTEOSA-N 1 0 334.420 2.311 20 5 EEBDRO CO[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264539 465135112 /nfs/dbraw/zinc/13/51/12/465135112.db2.gz YLYDTGXEIYGKOI-ZBFHGGJFSA-N 1 0 338.404 2.081 20 5 EEBDRO Nc1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc1[N+](=O)[O-] ZINC000590569332 468275069 /nfs/dbraw/zinc/27/50/69/468275069.db2.gz PQXWGIVCFJLAPV-CYBMUJFWSA-N 1 0 331.376 2.804 20 5 EEBDRO COC(=O)c1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000590585842 468279181 /nfs/dbraw/zinc/27/91/81/468279181.db2.gz QEANKJMVACBPKJ-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000351822282 465383614 /nfs/dbraw/zinc/38/36/14/465383614.db2.gz NASGZJPBZGXJGK-UHFFFAOYSA-N 1 0 339.465 2.492 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552044247 468302510 /nfs/dbraw/zinc/30/25/10/468302510.db2.gz WUCXWXOGVZHQMA-RHSMWYFYSA-N 1 0 343.431 2.349 20 5 EEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cn2)CC1 ZINC000045058804 462554871 /nfs/dbraw/zinc/55/48/71/462554871.db2.gz HMLIYWMFQWANJV-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO CCCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128505124 462645952 /nfs/dbraw/zinc/64/59/52/462645952.db2.gz RSPOLZBHXUGADT-UHFFFAOYSA-N 1 0 327.356 2.157 20 5 EEBDRO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047119446 462745873 /nfs/dbraw/zinc/74/58/73/462745873.db2.gz JUWQPDBKZKAUEZ-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000090539558 462796619 /nfs/dbraw/zinc/79/66/19/462796619.db2.gz JOSUARYZCCUGIG-NVXWUHKLSA-N 1 0 343.431 2.434 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000090552063 462797713 /nfs/dbraw/zinc/79/77/13/462797713.db2.gz MZGORWIEUASRLA-UHFFFAOYSA-N 1 0 333.310 2.421 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091482791 462884152 /nfs/dbraw/zinc/88/41/52/462884152.db2.gz YQABAKNRRRTOJD-NSHDSACASA-N 1 0 338.364 2.057 20 5 EEBDRO CC(C)C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000076605207 462884815 /nfs/dbraw/zinc/88/48/15/462884815.db2.gz HMTMWOHEEZFIGI-LLVKDONJSA-N 1 0 333.392 2.220 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119460318 462902871 /nfs/dbraw/zinc/90/28/71/462902871.db2.gz NPSZSBILTHHUMG-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092217925 462935015 /nfs/dbraw/zinc/93/50/15/462935015.db2.gz VNDUMGOMTHETNG-ZNNBYXKUSA-N 1 0 331.416 2.405 20 5 EEBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000568382246 468327686 /nfs/dbraw/zinc/32/76/86/468327686.db2.gz UNKZSTJAVZSVMA-ZFWWWQNUSA-N 1 0 326.418 2.210 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067265393 462984160 /nfs/dbraw/zinc/98/41/60/462984160.db2.gz ANHQVKRRHYDKTJ-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000050573901 463001697 /nfs/dbraw/zinc/00/16/97/463001697.db2.gz QBSOIJVWYKUECW-SNVBAGLBSA-N 1 0 334.401 2.398 20 5 EEBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051909111 463053970 /nfs/dbraw/zinc/05/39/70/463053970.db2.gz DIQVCXSEHHZUNJ-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067915943 463067167 /nfs/dbraw/zinc/06/71/67/463067167.db2.gz JZVSMQSCBSEBBK-OAHLLOKOSA-N 1 0 347.415 2.233 20 5 EEBDRO C[NH+]1CCN(c2ccc(NCc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000095430841 463082904 /nfs/dbraw/zinc/08/29/04/463082904.db2.gz IEKVVGBULDEKFO-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079320366 463205749 /nfs/dbraw/zinc/20/57/49/463205749.db2.gz JARNWOKYIHIHOD-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000137094821 463276750 /nfs/dbraw/zinc/27/67/50/463276750.db2.gz PWHNQVRPDUAZNA-DZGCQCFKSA-N 1 0 342.399 2.314 20 5 EEBDRO C[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000162398002 463506388 /nfs/dbraw/zinc/50/63/88/463506388.db2.gz PGZZYCWZVPCLIQ-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000072637091 463528576 /nfs/dbraw/zinc/52/85/76/463528576.db2.gz ZWJADRJWEGKQBB-CVEARBPZSA-N 1 0 332.448 2.368 20 5 EEBDRO Cc1c(Br)cc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000162731105 463534294 /nfs/dbraw/zinc/53/42/94/463534294.db2.gz HDCDBZFEEKNDCQ-UHFFFAOYSA-N 1 0 344.209 2.347 20 5 EEBDRO Cc1nn(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151955265 463621041 /nfs/dbraw/zinc/62/10/41/463621041.db2.gz AYYBRFYOEMDDIA-CQSZACIVSA-N 1 0 345.403 2.190 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000152359430 463680639 /nfs/dbraw/zinc/68/06/39/463680639.db2.gz PBNCVAFNHPFSKC-CYBMUJFWSA-N 1 0 335.404 2.235 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044680528 463688899 /nfs/dbraw/zinc/68/88/99/463688899.db2.gz MNUXRSTYKWKJBX-SECBINFHSA-N 1 0 327.182 2.401 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170743571 463701864 /nfs/dbraw/zinc/70/18/64/463701864.db2.gz FMBUTMWAKPNATE-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000170774768 463704218 /nfs/dbraw/zinc/70/42/18/463704218.db2.gz HJYGCKVTEOWWDU-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO [NH3+][C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000579581635 468378747 /nfs/dbraw/zinc/37/87/47/468378747.db2.gz OVAFASGYXLMAFG-HNNXBMFYSA-N 1 0 325.368 2.444 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261760893 463851447 /nfs/dbraw/zinc/85/14/47/463851447.db2.gz NTMQXGRVOXCNAO-UWVGGRQHSA-N 1 0 341.209 2.249 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553830185 468381708 /nfs/dbraw/zinc/38/17/08/468381708.db2.gz AGIPLXIPQYVIIB-CZUORRHYSA-N 1 0 332.404 2.363 20 5 EEBDRO CC(C)O[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000579596081 468382347 /nfs/dbraw/zinc/38/23/47/468382347.db2.gz QAXWHXPPNOKSRS-CQSZACIVSA-N 1 0 344.371 2.420 20 5 EEBDRO C[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000178344243 463884498 /nfs/dbraw/zinc/88/44/98/463884498.db2.gz PCCDKIORHCRZBZ-UONOGXRCSA-N 1 0 334.420 2.149 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH+](C)C ZINC000269328285 463953546 /nfs/dbraw/zinc/95/35/46/463953546.db2.gz DRTFOLZIKRIDPZ-LLVKDONJSA-N 1 0 325.413 2.147 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cnn(C)c1 ZINC000195518848 464067581 /nfs/dbraw/zinc/06/75/81/464067581.db2.gz HVBGEPLTEHRQMU-UHFFFAOYSA-N 1 0 345.403 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172428356 464078439 /nfs/dbraw/zinc/07/84/39/464078439.db2.gz NJTPTWSTTTWXDA-UHFFFAOYSA-N 1 0 349.431 2.018 20 5 EEBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263702473 464159413 /nfs/dbraw/zinc/15/94/13/464159413.db2.gz IYLDYNGYLHHEHV-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO C[C@]1(O)CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000279974052 464176051 /nfs/dbraw/zinc/17/60/51/464176051.db2.gz HTILFBRAWKJLFN-HNNXBMFYSA-N 1 0 341.795 2.424 20 5 EEBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000179920876 464208835 /nfs/dbraw/zinc/20/88/35/464208835.db2.gz BJJNFMSQMCGRPA-LLVKDONJSA-N 1 0 335.335 2.255 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000263953387 464250613 /nfs/dbraw/zinc/25/06/13/464250613.db2.gz ZEXARDACFRUOFQ-VIFPVBQESA-N 1 0 347.824 2.009 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280843510 464261377 /nfs/dbraw/zinc/26/13/77/464261377.db2.gz BZKSWLPRDPYBQO-CABCVRRESA-N 1 0 347.415 2.367 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237220890 464287561 /nfs/dbraw/zinc/28/75/61/464287561.db2.gz AFOOQYYYJDOLNS-GFCCVEGCSA-N 1 0 341.795 2.228 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237246798 464291805 /nfs/dbraw/zinc/29/18/05/464291805.db2.gz JZIPMYAQIHDUGG-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000264618877 464397036 /nfs/dbraw/zinc/39/70/36/464397036.db2.gz SDRPPVDSDMHWFC-UHFFFAOYSA-N 1 0 337.424 2.265 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000180825134 464403459 /nfs/dbraw/zinc/40/34/59/464403459.db2.gz YTGSAQGFOKYVOU-ZDUSSCGKSA-N 1 0 332.404 2.171 20 5 EEBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294279359 464453724 /nfs/dbraw/zinc/45/37/24/464453724.db2.gz MFZITVKZSFPEBW-LLVKDONJSA-N 1 0 341.433 2.185 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294280669 464453994 /nfs/dbraw/zinc/45/39/94/464453994.db2.gz FIZSKABLIGHGBF-HNNXBMFYSA-N 1 0 333.388 2.158 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272138109 464493410 /nfs/dbraw/zinc/49/34/10/464493410.db2.gz ASKSJZQOHGQPCN-LRDDRELGSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181893576 464535921 /nfs/dbraw/zinc/53/59/21/464535921.db2.gz NDGFQISHWQSJKD-ZDUSSCGKSA-N 1 0 349.387 2.318 20 5 EEBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182287653 464620440 /nfs/dbraw/zinc/62/04/40/464620440.db2.gz IPUQKLQUPDVAOP-HIFRSBDPSA-N 1 0 331.372 2.423 20 5 EEBDRO CCOc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285630945 464635782 /nfs/dbraw/zinc/63/57/82/464635782.db2.gz CVDNTABRUQYJBQ-ZBFHGGJFSA-N 1 0 349.431 2.289 20 5 EEBDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000190800596 464723372 /nfs/dbraw/zinc/72/33/72/464723372.db2.gz DRORLLWJZTXOIM-UHFFFAOYSA-N 1 0 330.388 2.362 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285870833 464725830 /nfs/dbraw/zinc/72/58/30/464725830.db2.gz BMYPOAPVYDANAU-FTGAXOIBSA-N 1 0 325.796 2.293 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000282260251 464755795 /nfs/dbraw/zinc/75/57/95/464755795.db2.gz NRIMGDNGHLVXQR-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000285974105 464760951 /nfs/dbraw/zinc/76/09/51/464760951.db2.gz BLEODSCHDBZDCO-NEPJUHHUSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000295411360 464821751 /nfs/dbraw/zinc/82/17/51/464821751.db2.gz SLMSPRHHMPDMPM-GFCCVEGCSA-N 1 0 332.404 2.042 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000276182760 464839070 /nfs/dbraw/zinc/83/90/70/464839070.db2.gz HMEFAYXBXPTHKP-UHFFFAOYSA-N 1 0 337.405 2.013 20 5 EEBDRO CCN1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000286320879 464879266 /nfs/dbraw/zinc/87/92/66/464879266.db2.gz KVHCLCQMDBRMHP-VIFPVBQESA-N 1 0 329.198 2.283 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000176926179 464887780 /nfs/dbraw/zinc/88/77/80/464887780.db2.gz DGIWONPMNCPYOX-UHFFFAOYSA-N 1 0 343.387 2.492 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000276405567 464919231 /nfs/dbraw/zinc/91/92/31/464919231.db2.gz LISZRACPDXBNNA-ZDUSSCGKSA-N 1 0 336.392 2.054 20 5 EEBDRO COCCOC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177160971 464946680 /nfs/dbraw/zinc/94/66/80/464946680.db2.gz GAGGLZGONRGKSJ-GFCCVEGCSA-N 1 0 335.360 2.221 20 5 EEBDRO C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593917378 468432645 /nfs/dbraw/zinc/43/26/45/468432645.db2.gz VDHXAHNKKIDXOB-KBPBESRZSA-N 1 0 335.404 2.340 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000593918125 468432750 /nfs/dbraw/zinc/43/27/50/468432750.db2.gz AUXBZHDXOSIVAQ-FRRDWIJNSA-N 1 0 339.417 2.157 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000352350716 465519213 /nfs/dbraw/zinc/51/92/13/465519213.db2.gz PIOCDQQBVJZKBI-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000361077219 465748827 /nfs/dbraw/zinc/74/88/27/465748827.db2.gz AEZRJBXJMKZWQU-GXTWGEPZSA-N 1 0 335.429 2.435 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000569183856 468450328 /nfs/dbraw/zinc/45/03/28/468450328.db2.gz CSLZLEAJDCTKEI-CQSZACIVSA-N 1 0 334.420 2.460 20 5 EEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469011 465815724 /nfs/dbraw/zinc/81/57/24/465815724.db2.gz CLHBQNGLCBVCMW-WBVHZDCISA-N 1 0 330.388 2.416 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261433 465869765 /nfs/dbraw/zinc/86/97/65/465869765.db2.gz DNCUFUKPYDSGLH-BLLLJJGKSA-N 1 0 329.404 2.387 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000357352148 465972184 /nfs/dbraw/zinc/97/21/84/465972184.db2.gz UHEHJRCQHYNKSX-JTQLQIEISA-N 1 0 341.795 2.226 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594021535 468464402 /nfs/dbraw/zinc/46/44/02/468464402.db2.gz UJMIZLXFRSMFFU-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019734 466080237 /nfs/dbraw/zinc/08/02/37/466080237.db2.gz NGZXOBHGDCLBHT-KBPBESRZSA-N 1 0 344.415 2.343 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362888970 466100494 /nfs/dbraw/zinc/10/04/94/466100494.db2.gz CJAXYNILLCOINP-GUYCJALGSA-N 1 0 347.415 2.162 20 5 EEBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000361653452 466180108 /nfs/dbraw/zinc/18/01/08/466180108.db2.gz IBEJPKNJNZTWNH-ONGXEEELSA-N 1 0 346.330 2.265 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372156315 466193174 /nfs/dbraw/zinc/19/31/74/466193174.db2.gz NWSREJFDMLNXSJ-RDBSUJKOSA-N 1 0 333.388 2.280 20 5 EEBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000346933201 466261913 /nfs/dbraw/zinc/26/19/13/466261913.db2.gz KQOQPZPNVFYMQQ-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)[NH+](C)C ZINC000357859186 466268649 /nfs/dbraw/zinc/26/86/49/466268649.db2.gz HKQSOFRQJGQCFH-MLGOLLRUSA-N 1 0 345.403 2.058 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000332019768 466348880 /nfs/dbraw/zinc/34/88/80/466348880.db2.gz FYLMSSCLXVOJCC-AAEUAGOBSA-N 1 0 330.388 2.218 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854818 466351946 /nfs/dbraw/zinc/35/19/46/466351946.db2.gz BPGDMMJPZXLUSZ-CYBMUJFWSA-N 1 0 336.392 2.054 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@]3(CO)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000350228610 466431595 /nfs/dbraw/zinc/43/15/95/466431595.db2.gz VGLGZOMHROQTDE-KRWDZBQOSA-N 1 0 348.355 2.104 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000358140172 466489257 /nfs/dbraw/zinc/48/92/57/466489257.db2.gz OKTBLERQQDOMTP-CYBMUJFWSA-N 1 0 337.424 2.035 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332336553 466513974 /nfs/dbraw/zinc/51/39/74/466513974.db2.gz NZSRLFYWICGIEE-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354416863 466551397 /nfs/dbraw/zinc/55/13/97/466551397.db2.gz DGGRNNFQQUEGFD-ZFWWWQNUSA-N 1 0 335.404 2.305 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358265108 466580628 /nfs/dbraw/zinc/58/06/28/466580628.db2.gz JCFALFVJFLCKGE-PMPSAXMXSA-N 1 0 331.416 2.420 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591685983 468502965 /nfs/dbraw/zinc/50/29/65/468502965.db2.gz HOVHBEDCBQQUQJ-CQSZACIVSA-N 1 0 326.356 2.015 20 5 EEBDRO C[NH+]1CCC(C)(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000324162836 466643835 /nfs/dbraw/zinc/64/38/35/466643835.db2.gz RPWMFOHBKWZXNI-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363938018 466661775 /nfs/dbraw/zinc/66/17/75/466661775.db2.gz NCHGCHPTDKWVNS-CHWSQXEVSA-N 1 0 348.359 2.168 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)n1 ZINC000374620754 466695571 /nfs/dbraw/zinc/69/55/71/466695571.db2.gz NZMXBRTXHVHFJZ-AWEZNQCLSA-N 1 0 334.351 2.474 20 5 EEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423725780 466814793 /nfs/dbraw/zinc/81/47/93/466814793.db2.gz PCEPICZIHIFJJQ-FGWVZKOKSA-N 1 0 329.360 2.330 20 5 EEBDRO CN(C)C(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000411906834 466930967 /nfs/dbraw/zinc/93/09/67/466930967.db2.gz AUEAXPMJZNDTBA-UHFFFAOYSA-N 1 0 344.371 2.003 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423991272 466939636 /nfs/dbraw/zinc/93/96/36/466939636.db2.gz DUHHHKKQLMOSIB-KRWDZBQOSA-N 1 0 341.367 2.147 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000411965528 466950666 /nfs/dbraw/zinc/95/06/66/466950666.db2.gz AHXZWAIXAATRMV-DLBZAZTESA-N 1 0 325.368 2.296 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411985567 466958757 /nfs/dbraw/zinc/95/87/57/466958757.db2.gz DSVHTGKSUKUUSR-BBRMVZONSA-N 1 0 338.404 2.259 20 5 EEBDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000424198631 467001706 /nfs/dbraw/zinc/00/17/06/467001706.db2.gz DCHUUBKNHFIRPD-CQSZACIVSA-N 1 0 343.339 2.092 20 5 EEBDRO CS(=O)(=O)CCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424306844 467026971 /nfs/dbraw/zinc/02/69/71/467026971.db2.gz JLZONQBKISPPDN-HNNXBMFYSA-N 1 0 340.445 2.330 20 5 EEBDRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000419377891 467194721 /nfs/dbraw/zinc/19/47/21/467194721.db2.gz BVUSHEZJLDYWLE-LBPRGKRZSA-N 1 0 339.392 2.289 20 5 EEBDRO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548023 467259697 /nfs/dbraw/zinc/25/96/97/467259697.db2.gz LZTKYEONPSBXAL-NVXWUHKLSA-N 1 0 333.432 2.495 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000451847658 467272526 /nfs/dbraw/zinc/27/25/26/467272526.db2.gz STGWMIHKIRUFGG-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354982 467276681 /nfs/dbraw/zinc/27/66/81/467276681.db2.gz MGDAFDJCFAVDEP-QGZVFWFLSA-N 1 0 332.448 2.115 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370972 467382016 /nfs/dbraw/zinc/38/20/16/467382016.db2.gz WKXRXJPQHYHZSP-GFCCVEGCSA-N 1 0 328.800 2.150 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420594119 467431110 /nfs/dbraw/zinc/43/11/10/467431110.db2.gz YZAITXYDKMPKRT-CQSZACIVSA-N 1 0 340.383 2.380 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580027 467445769 /nfs/dbraw/zinc/44/57/69/467445769.db2.gz DCXHDOGJPVBBCX-HZPDHXFCSA-N 1 0 334.420 2.005 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591361 467447889 /nfs/dbraw/zinc/44/78/89/467447889.db2.gz AQZVZUQVBAYDOD-LBPRGKRZSA-N 1 0 342.827 2.492 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000435836095 467498117 /nfs/dbraw/zinc/49/81/17/467498117.db2.gz OXKHIMFSSXCGND-UHFFFAOYSA-N 1 0 337.420 2.472 20 5 EEBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000408041973 467499226 /nfs/dbraw/zinc/49/92/26/467499226.db2.gz PEKXDYFCSWUEHZ-CHWSQXEVSA-N 1 0 341.433 2.006 20 5 EEBDRO C[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC(=O)N1 ZINC000453596155 467500931 /nfs/dbraw/zinc/50/09/31/467500931.db2.gz ZUCRCVYJSPYBOA-INIZCTEOSA-N 1 0 346.412 2.477 20 5 EEBDRO CNc1nc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454275472 467581251 /nfs/dbraw/zinc/58/12/51/467581251.db2.gz NIOODDDJUADKLN-GFCCVEGCSA-N 1 0 349.416 2.126 20 5 EEBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)NC ZINC000449775119 467713387 /nfs/dbraw/zinc/71/33/87/467713387.db2.gz MWGZTVBLNOROGQ-CQSZACIVSA-N 1 0 347.371 2.478 20 5 EEBDRO Cc1nc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450305808 467822535 /nfs/dbraw/zinc/82/25/35/467822535.db2.gz RLCSFSCRSVEGQW-STQMWFEESA-N 1 0 349.435 2.019 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493309613 467884053 /nfs/dbraw/zinc/88/40/53/467884053.db2.gz YDIMKFIBVJWFIB-FQMMPLOJSA-N 1 0 333.363 2.379 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC[N@@H+]1C ZINC000450789395 467908276 /nfs/dbraw/zinc/90/82/76/467908276.db2.gz GJXWYVOOLJNDDC-RISCZKNCSA-N 1 0 343.387 2.197 20 5 EEBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000515637771 467999944 /nfs/dbraw/zinc/99/99/44/467999944.db2.gz WHJZOZFCLMVHCJ-QGZVFWFLSA-N 1 0 344.367 2.327 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000531569453 468061538 /nfs/dbraw/zinc/06/15/38/468061538.db2.gz UFSPMVKZNJBHFI-HIFRSBDPSA-N 1 0 342.399 2.326 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000531726244 468071818 /nfs/dbraw/zinc/07/18/18/468071818.db2.gz SKBNJXMZGGFXQP-HUUCEWRRSA-N 1 0 347.415 2.089 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000590344985 468237545 /nfs/dbraw/zinc/23/75/45/468237545.db2.gz CDTYTGKFFWSHKO-CQSZACIVSA-N 1 0 335.404 2.468 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000591760133 468516566 /nfs/dbraw/zinc/51/65/66/468516566.db2.gz PEUPAGOCXHAAIX-HZPDHXFCSA-N 1 0 338.404 2.273 20 5 EEBDRO CCNc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000556492765 468529416 /nfs/dbraw/zinc/52/94/16/468529416.db2.gz VUNMZWUOMBYRMG-UHFFFAOYSA-N 1 0 343.387 2.489 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000597567562 468602145 /nfs/dbraw/zinc/60/21/45/468602145.db2.gz DPHJFWGUWMMJPL-UHFFFAOYSA-N 1 0 343.305 2.391 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600674220 468616801 /nfs/dbraw/zinc/61/68/01/468616801.db2.gz DYLFHLXKYHIBBJ-LBPRGKRZSA-N 1 0 340.811 2.238 20 5 EEBDRO Cc1c(CN2CCC(CO)([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000582968477 468624681 /nfs/dbraw/zinc/62/46/81/468624681.db2.gz RUXHAQXVHIAECT-UHFFFAOYSA-N 1 0 333.432 2.230 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597710126 468647309 /nfs/dbraw/zinc/64/73/09/468647309.db2.gz HIYSEPOYVVQDIL-KRWDZBQOSA-N 1 0 335.379 2.221 20 5 EEBDRO O=c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000592356742 468682066 /nfs/dbraw/zinc/68/20/66/468682066.db2.gz HNUKEPPCOMGRHP-GFCCVEGCSA-N 1 0 327.300 2.323 20 5 EEBDRO CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370484 468828339 /nfs/dbraw/zinc/82/83/39/468828339.db2.gz GRXYIZFYYBXNGC-CQSZACIVSA-N 1 0 349.435 2.028 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000598341837 468836810 /nfs/dbraw/zinc/83/68/10/468836810.db2.gz GXIYYKPCVQFHCB-CYBMUJFWSA-N 1 0 343.387 2.199 20 5 EEBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000595535050 468891198 /nfs/dbraw/zinc/89/11/98/468891198.db2.gz LPDADQHUUTZKFE-CYBMUJFWSA-N 1 0 335.404 2.377 20 5 EEBDRO C[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000602689792 469013794 /nfs/dbraw/zinc/01/37/94/469013794.db2.gz ZBGPNEHWDSBITA-ZDUSSCGKSA-N 1 0 331.294 2.372 20 5 EEBDRO COC1([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602693351 469014902 /nfs/dbraw/zinc/01/49/02/469014902.db2.gz GIQHQPZHYNPLGG-LLVKDONJSA-N 1 0 335.360 2.410 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000602769743 469062183 /nfs/dbraw/zinc/06/21/83/469062183.db2.gz WGAGYATWGIEOHW-UHFFFAOYSA-N 1 0 329.404 2.312 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000602777781 469067049 /nfs/dbraw/zinc/06/70/49/469067049.db2.gz LKXMDXQHGABSQD-MRXNPFEDSA-N 1 0 330.388 2.082 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000598994550 469079871 /nfs/dbraw/zinc/07/98/71/469079871.db2.gz AMBFJMXODLPBPG-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000599045480 469098157 /nfs/dbraw/zinc/09/81/57/469098157.db2.gz HXRFPAYWICDQDQ-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000573315480 469104276 /nfs/dbraw/zinc/10/42/76/469104276.db2.gz LSHUYGQRENKLCH-CYBMUJFWSA-N 1 0 333.388 2.158 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000602841781 469111444 /nfs/dbraw/zinc/11/14/44/469111444.db2.gz SEOGTOGFTUYOBX-BMIGLBTASA-N 1 0 336.417 2.453 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596140223 469172781 /nfs/dbraw/zinc/17/27/81/469172781.db2.gz PJNPOTZJYBGMII-AWEZNQCLSA-N 1 0 327.388 2.283 20 5 EEBDRO COCCNC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611253749 469210438 /nfs/dbraw/zinc/21/04/38/469210438.db2.gz PBGUPIYSQGYWHI-XQRVVYSFSA-N 1 0 347.415 2.083 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997174 469213051 /nfs/dbraw/zinc/21/30/51/469213051.db2.gz FEDBDUCPCSNMOZ-UAGQMJEPSA-N 1 0 347.415 2.467 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286353 469219996 /nfs/dbraw/zinc/21/99/96/469219996.db2.gz QTKHDGSPAZUAGM-UKRRQHHQSA-N 1 0 347.415 2.282 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596487827 469282315 /nfs/dbraw/zinc/28/23/15/469282315.db2.gz KEIZTIMFVPTUGH-LBPRGKRZSA-N 1 0 345.403 2.776 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603200876 469306972 /nfs/dbraw/zinc/30/69/72/469306972.db2.gz KNPRXKJCFGTVAK-UHFFFAOYSA-N 1 0 345.403 2.294 20 5 EEBDRO CCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506611 469342362 /nfs/dbraw/zinc/34/23/62/469342362.db2.gz DVUDLYOGEFCWJV-HNNXBMFYSA-N 1 0 333.436 2.033 20 5 EEBDRO COC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000616008135 469353064 /nfs/dbraw/zinc/35/30/64/469353064.db2.gz NVMXCSAYCDBNPN-ZIAGYGMSSA-N 1 0 338.408 2.060 20 5 EEBDRO Cc1c(CC(=O)NCc2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000602584565 469371465 /nfs/dbraw/zinc/37/14/65/469371465.db2.gz GDVRNPBLKSFCHS-UHFFFAOYSA-N 1 0 339.395 2.408 20 5 EEBDRO COc1ccc(CN(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000612586866 469502074 /nfs/dbraw/zinc/50/20/74/469502074.db2.gz TUCWCKPYMHZMCZ-UHFFFAOYSA-N 1 0 345.355 2.402 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000609175138 469899935 /nfs/dbraw/zinc/89/99/35/469899935.db2.gz CIFDOTSQPHKXNO-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258024 469907210 /nfs/dbraw/zinc/90/72/10/469907210.db2.gz IQOAZDSIUCTBOD-MRXNPFEDSA-N 1 0 343.387 2.457 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602538199 485641763 /nfs/dbraw/zinc/64/17/63/485641763.db2.gz AGVRULITKXDGMN-KWQFWETISA-N 1 0 349.284 2.333 20 5 EEBDRO Cc1c(NC(=O)CCN(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186752144 533899627 /nfs/dbraw/zinc/89/96/27/533899627.db2.gz DYBKULUGZRCLAU-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158745468 534007177 /nfs/dbraw/zinc/00/71/77/534007177.db2.gz QPZGLYWHLSIRQY-WBMJQRKESA-N 1 0 335.429 2.287 20 5 EEBDRO O=C1OCCN1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178585388 534807594 /nfs/dbraw/zinc/80/75/94/534807594.db2.gz XVFDRVYVMYFPLG-HNNXBMFYSA-N 1 0 333.388 2.348 20 5 EEBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153907943 527512880 /nfs/dbraw/zinc/51/28/80/527512880.db2.gz IITYAHFETIHHPF-YOEHRIQHSA-N 1 0 349.431 2.112 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000132270721 528035243 /nfs/dbraw/zinc/03/52/43/528035243.db2.gz MVBOXTMEIJWXET-GFCCVEGCSA-N 1 0 343.811 2.335 20 5 EEBDRO CC1(c2ccccc2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153929955 528065165 /nfs/dbraw/zinc/06/51/65/528065165.db2.gz QEXKEMYVMZMSLJ-QGZVFWFLSA-N 1 0 344.415 2.206 20 5 EEBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000179534401 528203358 /nfs/dbraw/zinc/20/33/58/528203358.db2.gz PYIVDVCFAQSLJT-CJNGLKHVSA-N 1 0 348.403 2.290 20 5 EEBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178644010 528389182 /nfs/dbraw/zinc/38/91/82/528389182.db2.gz SXXGPKLLOKJPKC-AWEZNQCLSA-N 1 0 348.447 2.236 20 5 EEBDRO CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181763665 529159533 /nfs/dbraw/zinc/15/95/33/529159533.db2.gz ZESQWXWCVPCWCX-OAHLLOKOSA-N 1 0 326.418 2.460 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000423650304 535426109 /nfs/dbraw/zinc/42/61/09/535426109.db2.gz UHFXJKOTCUAERY-KRWDZBQOSA-N 1 0 333.388 2.209 20 5 EEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458201316 535869963 /nfs/dbraw/zinc/86/99/63/535869963.db2.gz LZRSVKKOKMHRBS-UHFFFAOYSA-N 1 0 336.417 2.199 20 5 EEBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000491796741 535936098 /nfs/dbraw/zinc/93/60/98/535936098.db2.gz NITWIOKCQBZELS-WMHVBEDNSA-N 1 0 333.363 2.300 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459782297 535944918 /nfs/dbraw/zinc/94/49/18/535944918.db2.gz UBPSSJJXDUCFJO-OCCSQVGLSA-N 1 0 337.376 2.089 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264923997 536375115 /nfs/dbraw/zinc/37/51/15/536375115.db2.gz QLEJECLNTJMWEN-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000490045170 536954943 /nfs/dbraw/zinc/95/49/43/536954943.db2.gz SINXSRXYWVMBHZ-UGFHNGPFSA-N 1 0 333.388 2.140 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000776274972 577456307 /nfs/dbraw/zinc/45/63/07/577456307.db2.gz FACKDRBWIZOTEO-OAHLLOKOSA-N 1 0 346.339 2.026 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939862 577587442 /nfs/dbraw/zinc/58/74/42/577587442.db2.gz AYWUSOIEBINAAH-WBVHZDCISA-N 1 0 344.415 2.316 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761067582 577675448 /nfs/dbraw/zinc/67/54/48/577675448.db2.gz FXQKTHMNQXKHNC-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000755170489 577821080 /nfs/dbraw/zinc/82/10/80/577821080.db2.gz SEJBDZHTVZTSHS-BONVTDFDSA-N 1 0 325.340 2.220 20 5 EEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168225 577821091 /nfs/dbraw/zinc/82/10/91/577821091.db2.gz GCGCFHOHOOQKPY-LKFCYVNXSA-N 1 0 327.768 2.344 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000755641541 577828345 /nfs/dbraw/zinc/82/83/45/577828345.db2.gz OMQIKOWHYJEVQO-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748837018 577967949 /nfs/dbraw/zinc/96/79/49/577967949.db2.gz DVJYVFLBUWIADZ-NSHDSACASA-N 1 0 348.359 2.086 20 5 EEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000120269676 674844760 /nfs/dbraw/zinc/84/47/60/674844760.db2.gz BVHNCXVNRYTSIM-UHFFFAOYSA-N 1 0 347.462 2.009 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804778226 675630007 /nfs/dbraw/zinc/63/00/07/675630007.db2.gz SHVMJYVYWLKZLR-NSHDSACASA-N 1 0 349.416 2.204 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC001021773889 676433754 /nfs/dbraw/zinc/43/37/54/676433754.db2.gz CZJFVHKTPRVEJC-GASCZTMLSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001021847458 676519848 /nfs/dbraw/zinc/51/98/48/676519848.db2.gz QRGLKAMYIUGZQD-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(CC1CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021913285 676547678 /nfs/dbraw/zinc/54/76/78/676547678.db2.gz AHXJRMPQVYWQMH-IYBDPMFKSA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022031985 676597589 /nfs/dbraw/zinc/59/75/89/676597589.db2.gz NQEHKGADVURPFG-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891587255 676706993 /nfs/dbraw/zinc/70/69/93/676706993.db2.gz SGSRXQYMLLVDSZ-IAGOWNOFSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891667372 676762792 /nfs/dbraw/zinc/76/27/92/676762792.db2.gz CQPLHPVPVMLOHP-ZIAGYGMSSA-N 1 0 338.795 2.284 20 5 EEBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000891750312 676815709 /nfs/dbraw/zinc/81/57/09/676815709.db2.gz IIJDJCVKKOXQRF-QWRGUYRKSA-N 1 0 342.346 2.200 20 5 EEBDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000891752372 676816381 /nfs/dbraw/zinc/81/63/81/676816381.db2.gz ZULBTSSPKAKBSO-YIYPIFLZSA-N 1 0 332.404 2.486 20 5 EEBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000892439916 679830097 /nfs/dbraw/zinc/83/00/97/679830097.db2.gz MTPWUDQDLIKPOQ-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000892537691 681628681 /nfs/dbraw/zinc/62/86/81/681628681.db2.gz YRLDTCNYYHFFOU-INIZCTEOSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777823 683268794 /nfs/dbraw/zinc/26/87/94/683268794.db2.gz OYKZCFZCBBPZSC-UUAJXVIYSA-N 1 0 335.448 2.059 20 5 EEBDRO CCC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058150 683584490 /nfs/dbraw/zinc/58/44/90/683584490.db2.gz IGPJLGUPXUIGFP-JTQLQIEISA-N 1 0 329.198 2.331 20 5 EEBDRO CCCC[N@H+](CC)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000026636249 686092322 /nfs/dbraw/zinc/09/23/22/686092322.db2.gz OEAILONJLCICTR-KRWDZBQOSA-N 1 0 348.403 2.441 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125159803 686922879 /nfs/dbraw/zinc/92/28/79/686922879.db2.gz FZOCRLWDWOHBLO-VHSXEESVSA-N 1 0 347.824 2.057 20 5 EEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cnco2)CC1 ZINC000985561252 687140941 /nfs/dbraw/zinc/14/09/41/687140941.db2.gz JVYCSYJPFLBLPT-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC000897422886 689380615 /nfs/dbraw/zinc/38/06/15/689380615.db2.gz IPGXUGHINGKVDV-UHFFFAOYSA-N 1 0 342.399 2.496 20 5 EEBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000904420477 694394161 /nfs/dbraw/zinc/39/41/61/694394161.db2.gz PTBLHAKGQPPGFP-ZDUSSCGKSA-N 1 0 336.392 2.054 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000162836428 694423643 /nfs/dbraw/zinc/42/36/43/694423643.db2.gz ZJYQLKBYOXEBDL-UHFFFAOYSA-N 1 0 328.376 2.429 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000897846441 691800796 /nfs/dbraw/zinc/80/07/96/691800796.db2.gz JVXWHCRGAPDVON-IAQYHMDHSA-N 1 0 342.399 2.495 20 5 EEBDRO O=C(c1cocn1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990245775 692781758 /nfs/dbraw/zinc/78/17/58/692781758.db2.gz XOHRXXKCTPOCEV-UHFFFAOYSA-N 1 0 336.373 2.039 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001105589112 1188202128 /nfs/dbraw/zinc/20/21/28/1188202128.db2.gz IPNKVTCYYCHFRC-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccn[nH]1 ZINC001034599419 1196428757 /nfs/dbraw/zinc/42/87/57/1196428757.db2.gz UAPVWHAQMHWNDO-HDJSIYSDSA-N 1 0 343.387 2.149 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000872062217 1198038068 /nfs/dbraw/zinc/03/80/68/1198038068.db2.gz LCLUSRSLIJJIFY-XHDPSFHLSA-N 1 0 325.434 2.034 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865810852 1198385952 /nfs/dbraw/zinc/38/59/52/1198385952.db2.gz USALMRKJLNDPKX-UHFFFAOYSA-N 1 0 337.395 2.467 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC001134277787 1199443201 /nfs/dbraw/zinc/44/32/01/1199443201.db2.gz PZZFCOHIUOIYQA-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876718257 1199737398 /nfs/dbraw/zinc/73/73/98/1199737398.db2.gz QNDMWEMDIAQHEY-GOSISDBHSA-N 1 0 348.447 2.100 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1F ZINC000880203604 1201420478 /nfs/dbraw/zinc/42/04/78/1201420478.db2.gz DQSPKGFYLSAKNR-OAHLLOKOSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H](c1ccccc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000880247617 1201434850 /nfs/dbraw/zinc/43/48/50/1201434850.db2.gz JPFZQEXEOKAUKB-HNNXBMFYSA-N 1 0 329.404 2.170 20 5 EEBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866286460 1201483869 /nfs/dbraw/zinc/48/38/69/1201483869.db2.gz XLUBQCHLEVRHAF-MNOVXSKESA-N 1 0 332.397 2.078 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000866375213 1201502838 /nfs/dbraw/zinc/50/28/38/1201502838.db2.gz MUGJPZSSJMQRAS-LLVKDONJSA-N 1 0 346.424 2.468 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866516857 1201537923 /nfs/dbraw/zinc/53/79/23/1201537923.db2.gz DGVFYJXOPFFZOI-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000931046318 1206602598 /nfs/dbraw/zinc/60/25/98/1206602598.db2.gz UHUWFDHFXCLXCI-XEZPLFJOSA-N 1 0 334.420 2.255 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778011307 1207423570 /nfs/dbraw/zinc/42/35/70/1207423570.db2.gz ZFDYLGALNIDEAW-UHFFFAOYSA-N 1 0 329.347 2.487 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725477 1207450035 /nfs/dbraw/zinc/45/00/35/1207450035.db2.gz WOWJDVJXRBGVQN-MCIONIFRSA-N 1 0 332.404 2.090 20 5 EEBDRO CSCC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000932593659 1207633173 /nfs/dbraw/zinc/63/31/73/1207633173.db2.gz YTTACFPPADPLEE-HNNXBMFYSA-N 1 0 340.445 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(CCCNC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001096071314 1234449227 /nfs/dbraw/zinc/44/92/27/1234449227.db2.gz MJLPUNOFSFZKON-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000802136951 1236976929 /nfs/dbraw/zinc/97/69/29/1236976929.db2.gz LJNHBZKQDHOUIV-CYBMUJFWSA-N 1 0 347.371 2.342 20 5 EEBDRO O=C(NCC1=CC[N@H+](CCC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672937 1240705437 /nfs/dbraw/zinc/70/54/37/1240705437.db2.gz CCBNDCNKBWWJLR-IAGOWNOFSA-N 1 0 333.432 2.290 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001097261194 1243888220 /nfs/dbraw/zinc/88/82/20/1243888220.db2.gz UGYCSNFOEJNJCC-OKILXGFUSA-N 1 0 346.431 2.447 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104134362 1284913781 /nfs/dbraw/zinc/91/37/81/1284913781.db2.gz YRKXKVLYTUKGDD-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO CSCCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199233622 1285554385 /nfs/dbraw/zinc/55/43/85/1285554385.db2.gz VCTLZDWHZYQQIQ-UHFFFAOYSA-N 1 0 343.474 2.490 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861840616 1295561887 /nfs/dbraw/zinc/56/18/87/1295561887.db2.gz KKAVOAAXXJTVOB-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095357686 1296818910 /nfs/dbraw/zinc/81/89/10/1296818910.db2.gz SAWZACZNHFJYAC-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217979455 1297540341 /nfs/dbraw/zinc/54/03/41/1297540341.db2.gz HIDYWBLWTKDXSG-GXTWGEPZSA-N 1 0 326.324 2.240 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC001218146965 1297583456 /nfs/dbraw/zinc/58/34/56/1297583456.db2.gz QVAWMMLGJVUNRC-LJWDBELGSA-N 1 0 330.344 2.011 20 5 EEBDRO C[C@@H](Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218344202 1297637174 /nfs/dbraw/zinc/63/71/74/1297637174.db2.gz RYBFRPFTCSNSSN-BZNIZROVSA-N 1 0 329.356 2.090 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1nc[nH]n1 ZINC001220250249 1298322026 /nfs/dbraw/zinc/32/20/26/1298322026.db2.gz UFZJFUAAALMLKJ-SFHVURJKSA-N 1 0 345.406 2.297 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2nc3ccccc3nc2c1 ZINC001228741383 1302417881 /nfs/dbraw/zinc/41/78/81/1302417881.db2.gz REIOFBVUXRAUBT-CYBMUJFWSA-N 1 0 340.403 2.146 20 5 EEBDRO C[NH+]1CCN(c2cccc3nc(O[C@@H](C[N+](=O)[O-])C4CC4)oc32)CC1 ZINC001230102838 1303060320 /nfs/dbraw/zinc/06/03/20/1303060320.db2.gz APOPYRZGBLOXIP-HNNXBMFYSA-N 1 0 346.387 2.014 20 5 EEBDRO Cc1noc(C2(C)CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000781350429 1303781177 /nfs/dbraw/zinc/78/11/77/1303781177.db2.gz NBEPAMKPRIFJBF-HNNXBMFYSA-N 1 0 346.387 2.373 20 5 EEBDRO COC(=O)c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001234056061 1304712519 /nfs/dbraw/zinc/71/25/19/1304712519.db2.gz BXDLFIWJOIGRIV-ATCWAGBWSA-N 1 0 334.372 2.491 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000799029870 1305139405 /nfs/dbraw/zinc/13/94/05/1305139405.db2.gz ULPZXPNNWCUAFY-UHFFFAOYSA-N 1 0 349.435 2.389 20 5 EEBDRO CC(C)[NH+](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC001115915640 1305844668 /nfs/dbraw/zinc/84/46/68/1305844668.db2.gz MFSUEIZTIIMCRG-UHFFFAOYSA-N 1 0 341.383 2.348 20 5 EEBDRO O=[N+]([O-])c1ccc(OCc2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001116612439 1305905616 /nfs/dbraw/zinc/90/56/16/1305905616.db2.gz OSTRQVUOOXLEMR-AWEZNQCLSA-N 1 0 330.344 2.366 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001117067620 1305978918 /nfs/dbraw/zinc/97/89/18/1305978918.db2.gz CICZMHPEYREZBA-UHFFFAOYSA-N 1 0 325.321 2.277 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC(N3CCC[NH2+]CC3)CC2)c(F)c1 ZINC001246530506 1310334027 /nfs/dbraw/zinc/33/40/27/1310334027.db2.gz YQUVVGNHIBQODD-UHFFFAOYSA-N 1 0 340.374 2.137 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+]C(C)(C)C2)c1F ZINC001246816976 1310438957 /nfs/dbraw/zinc/43/89/57/1310438957.db2.gz NRNKRGQIPCAAQS-NSHDSACASA-N 1 0 325.384 2.357 20 5 EEBDRO O[C@H]1C[NH2+]CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247753582 1310711887 /nfs/dbraw/zinc/71/18/87/1310711887.db2.gz KMOVEDSFGZATDI-ZFWWWQNUSA-N 1 0 347.378 2.271 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@]23CCC[NH2+]CC3)n1 ZINC001247930632 1310788288 /nfs/dbraw/zinc/78/82/88/1310788288.db2.gz WRAWDEZIAAYRDG-ZUZCIYMTSA-N 1 0 333.323 2.426 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000839621394 1315221413 /nfs/dbraw/zinc/22/14/13/1315221413.db2.gz FKDXAMLJDQLBIE-QGZVFWFLSA-N 1 0 328.372 2.298 20 5 EEBDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840877500 1315425844 /nfs/dbraw/zinc/42/58/44/1315425844.db2.gz XYAUHGHESLPRJF-SNVBAGLBSA-N 1 0 329.422 2.041 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000841859103 1315625360 /nfs/dbraw/zinc/62/53/60/1315625360.db2.gz YTXQZFAYTNQOSK-JTQLQIEISA-N 1 0 336.726 2.030 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000843074001 1315835307 /nfs/dbraw/zinc/83/53/07/1315835307.db2.gz KRMNYBAMSWMCIN-YMRXKLBXSA-N 1 0 334.347 2.479 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000843073993 1315835629 /nfs/dbraw/zinc/83/56/29/1315835629.db2.gz KRMNYBAMSWMCIN-JECHBYEQSA-N 1 0 334.347 2.479 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843095204 1315840905 /nfs/dbraw/zinc/84/09/05/1315840905.db2.gz NUBMYGMLIIIUAF-FUHWJXTLSA-N 1 0 330.384 2.130 20 5 EEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000843151630 1315855742 /nfs/dbraw/zinc/85/57/42/1315855742.db2.gz PERDAHBWYOHDMQ-CYBMUJFWSA-N 1 0 328.332 2.486 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000843474300 1315920348 /nfs/dbraw/zinc/92/03/48/1315920348.db2.gz WWVIWKOOUMYNHE-IUCAKERBSA-N 1 0 329.759 2.139 20 5 EEBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001150376508 1316248172 /nfs/dbraw/zinc/24/81/72/1316248172.db2.gz HHRUCVITRYNETC-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)c[nH]1 ZINC001154569868 1317210253 /nfs/dbraw/zinc/21/02/53/1317210253.db2.gz ISCWLGOLHCIWDI-UHFFFAOYSA-N 1 0 336.779 2.486 20 5 EEBDRO [NH3+]CC1CN([C@@H]2CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001155372402 1317569115 /nfs/dbraw/zinc/56/91/15/1317569115.db2.gz GOBPERCCLPMOAY-CQSZACIVSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155453835 1317603051 /nfs/dbraw/zinc/60/30/51/1317603051.db2.gz KKZKZGIGOMFUTP-JTQLQIEISA-N 1 0 336.783 2.061 20 5 EEBDRO COc1cnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001155454396 1317603299 /nfs/dbraw/zinc/60/32/99/1317603299.db2.gz UKFZNRGJJPBBOT-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc21 ZINC001155621080 1317677059 /nfs/dbraw/zinc/67/70/59/1317677059.db2.gz LYUHTPXUEUNHOY-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc1-c1ccccc1 ZINC001155642650 1317684991 /nfs/dbraw/zinc/68/49/91/1317684991.db2.gz RFRTWFFXMIIOAW-IGCXYCKISA-N 1 0 326.356 2.198 20 5 EEBDRO CCN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465583 1318081345 /nfs/dbraw/zinc/08/13/45/1318081345.db2.gz FGSDQWYMERZQIF-CQSZACIVSA-N 1 0 348.447 2.410 20 5 EEBDRO CCNC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254534852 1318113301 /nfs/dbraw/zinc/11/33/01/1318113301.db2.gz CMXHAHIQCQNWAH-ZDUSSCGKSA-N 1 0 334.420 2.309 20 5 EEBDRO COc1ncnc2c1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254556321 1318121753 /nfs/dbraw/zinc/12/17/53/1318121753.db2.gz KMQZWUNLCNAFCG-CYBMUJFWSA-N 1 0 342.399 2.425 20 5 EEBDRO O=C(C1CCC1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584237 1318132786 /nfs/dbraw/zinc/13/27/86/1318132786.db2.gz GKVWYTCQVKBMLC-KRWDZBQOSA-N 1 0 343.427 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)C2 ZINC001254587571 1318134019 /nfs/dbraw/zinc/13/40/19/1318134019.db2.gz QBCSHANDOZCRHU-HOTGVXAUSA-N 1 0 339.399 2.111 20 5 EEBDRO COc1ccccc1[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589026 1318137545 /nfs/dbraw/zinc/13/75/45/1318137545.db2.gz LAFPSSWIICLTGS-WMLDXEAASA-N 1 0 328.368 2.394 20 5 EEBDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599426 1318140176 /nfs/dbraw/zinc/14/01/76/1318140176.db2.gz ZFGQFPYVNVVVOH-FUHWJXTLSA-N 1 0 329.400 2.149 20 5 EEBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608368 1318142932 /nfs/dbraw/zinc/14/29/32/1318142932.db2.gz RBCDYPYBQJIBKU-GQGQLFGLSA-N 1 0 330.384 2.336 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@]2(C)CCC[NH2+]C2)n1 ZINC001156955564 1318312851 /nfs/dbraw/zinc/31/28/51/1318312851.db2.gz IOAQECKJNGTUTR-GFCCVEGCSA-N 1 0 331.829 2.338 20 5 EEBDRO COc1nc(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc1[N+](=O)[O-] ZINC001157215632 1318493859 /nfs/dbraw/zinc/49/38/59/1318493859.db2.gz YXUPNOHFGNWPIP-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO Cc1cc(NC2(C)CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157402970 1318609824 /nfs/dbraw/zinc/60/98/24/1318609824.db2.gz KPZFFOBRFKCUGH-UHFFFAOYSA-N 1 0 327.388 2.336 20 5 EEBDRO C[C@H]1[C@H]([NH3+])CCCN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001157743095 1318830754 /nfs/dbraw/zinc/83/07/54/1318830754.db2.gz HHDGGRDATMMARH-NTSWFWBYSA-N 1 0 339.705 2.373 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775383 1318854076 /nfs/dbraw/zinc/85/40/76/1318854076.db2.gz QJRIQSRKLYSCEO-ZWNOBZJWSA-N 1 0 346.214 2.255 20 5 EEBDRO Cc1cc(Cl)nc(N2CCO[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001158303759 1319160646 /nfs/dbraw/zinc/16/06/46/1319160646.db2.gz CKUCIKXMYIFOCX-GFCCVEGCSA-N 1 0 340.811 2.253 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001159393547 1319778172 /nfs/dbraw/zinc/77/81/72/1319778172.db2.gz IGWRTCOBAJCRHZ-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc21 ZINC001161464397 1320508567 /nfs/dbraw/zinc/50/85/67/1320508567.db2.gz LGXJJSSPWSFAJF-AWEZNQCLSA-N 1 0 341.415 2.381 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162195251 1320779997 /nfs/dbraw/zinc/77/99/97/1320779997.db2.gz QNHRWDIGWOGLPM-SHTZXODSSA-N 1 0 342.403 2.365 20 5 EEBDRO CCOC(=O)c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162573899 1320901865 /nfs/dbraw/zinc/90/18/65/1320901865.db2.gz VVCFZLGBTPLICC-OAHLLOKOSA-N 1 0 340.355 2.060 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCC[C@H]3CCOC34C[NH2+]C4)ccnc21 ZINC001163096092 1321034084 /nfs/dbraw/zinc/03/40/84/1321034084.db2.gz ZVJXHGLZYWSVQL-LBPRGKRZSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163285851 1321087962 /nfs/dbraw/zinc/08/79/62/1321087962.db2.gz WWUCLMKGLFYEKH-BMIGLBTASA-N 1 0 327.331 2.444 20 5 EEBDRO Cc1cc(C)cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001164490652 1321394591 /nfs/dbraw/zinc/39/45/91/1321394591.db2.gz PQQQLABEROPIEQ-IAGOWNOFSA-N 1 0 345.443 2.345 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)n2ncc3c2CC[NH2+]C3)cnc1Cl ZINC001165218026 1321475797 /nfs/dbraw/zinc/47/57/97/1321475797.db2.gz FXHLFQYUHKIUIY-UHFFFAOYSA-N 1 0 329.694 2.083 20 5 EEBDRO Nc1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001165266972 1321487532 /nfs/dbraw/zinc/48/75/32/1321487532.db2.gz XJFFZHDOYBFHMY-GFCCVEGCSA-N 1 0 345.325 2.083 20 5 EEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001262361230 1322288284 /nfs/dbraw/zinc/28/82/84/1322288284.db2.gz GESJVLQWMNKPHH-LBPRGKRZSA-N 1 0 330.392 2.361 20 5 EEBDRO CCC[N@@H+]1CC[C@H](Nc2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001307175588 1331515389 /nfs/dbraw/zinc/51/53/89/1331515389.db2.gz NDBACPDIRPXZJY-LBPRGKRZSA-N 1 0 330.388 2.470 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H](O)Cc3ccccc3)nc2c1 ZINC001308753453 1331604429 /nfs/dbraw/zinc/60/44/29/1331604429.db2.gz RRULZMIZAKHSNQ-CQSZACIVSA-N 1 0 327.340 2.429 20 5 EEBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308862176 1331607035 /nfs/dbraw/zinc/60/70/35/1331607035.db2.gz SZKTZIZEBVQHFM-NJZAAPMLSA-N 1 0 349.387 2.392 20 5 EEBDRO C[NH+]1CCC(CNC(=S)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001320463133 1332889158 /nfs/dbraw/zinc/88/91/58/1332889158.db2.gz OBSYMZDWQFSONY-UHFFFAOYSA-N 1 0 348.472 2.169 20 5 EEBDRO C[S@](=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC001324442289 1333685395 /nfs/dbraw/zinc/68/53/95/1333685395.db2.gz KOYINKZUFYFAJH-QHCPKHFHSA-N 1 0 333.413 2.298 20 5 EEBDRO CN(Cc1nc([C@H]2C[NH+]3CCC2CC3)no1)c1ccccc1[N+](=O)[O-] ZINC001325470862 1333892782 /nfs/dbraw/zinc/89/27/82/1333892782.db2.gz SENHOLJEAZAGEG-ZDUSSCGKSA-N 1 0 343.387 2.423 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001330550405 1334868992 /nfs/dbraw/zinc/86/89/92/1334868992.db2.gz OROIGHVLEYPVSE-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001330613423 1334877731 /nfs/dbraw/zinc/87/77/31/1334877731.db2.gz KUTWSRKCLXXWEP-LBPRGKRZSA-N 1 0 332.404 2.193 20 5 EEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291676 1336677497 /nfs/dbraw/zinc/67/74/97/1336677497.db2.gz YPERXFIHRQWULP-WMLDXEAASA-N 1 0 344.415 2.316 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)CC1 ZINC001339339093 1336990532 /nfs/dbraw/zinc/99/05/32/1336990532.db2.gz KANKFCDGSFCCKK-GFCCVEGCSA-N 1 0 348.407 2.387 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339774902 1337071288 /nfs/dbraw/zinc/07/12/88/1337071288.db2.gz WLIYYZQCBNFWTA-HNNXBMFYSA-N 1 0 341.415 2.325 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001340122109 1337125159 /nfs/dbraw/zinc/12/51/59/1337125159.db2.gz BHPMUMLWEHUOGG-ZDUSSCGKSA-N 1 0 338.456 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC001346122332 1337479726 /nfs/dbraw/zinc/47/97/26/1337479726.db2.gz GMRRTIPNTZKFNE-OAHLLOKOSA-N 1 0 349.362 2.175 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000847885204 1338358862 /nfs/dbraw/zinc/35/88/62/1338358862.db2.gz LSGKORBGUWWMIB-CYBMUJFWSA-N 1 0 336.388 2.352 20 5 EEBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)C[C@@H]1[NH3+] ZINC001576819660 1344065873 /nfs/dbraw/zinc/06/58/73/1344065873.db2.gz PXWGZKQKNRLNRQ-NHYWBVRUSA-N 1 0 342.403 2.047 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001589630104 1349013102 /nfs/dbraw/zinc/01/31/02/1349013102.db2.gz RAKFVNIHYCHKBN-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO CC1CC[NH+](CCCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590271914 1349243316 /nfs/dbraw/zinc/24/33/16/1349243316.db2.gz MWDYDPBQXCZHDA-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC001593466710 1349803215 /nfs/dbraw/zinc/80/32/15/1349803215.db2.gz FGDISJAQWYQZFX-CYBMUJFWSA-N 1 0 340.343 2.357 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000852554859 1369282241 /nfs/dbraw/zinc/28/22/41/1369282241.db2.gz DYAJTHCQIZVHOI-KRWDZBQOSA-N 1 0 346.431 2.022 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC000886743125 1369659801 /nfs/dbraw/zinc/65/98/01/1369659801.db2.gz UNTBIAOSEZCZAJ-LBPRGKRZSA-N 1 0 338.433 2.080 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)CC[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001111902956 1371294967 /nfs/dbraw/zinc/29/49/67/1371294967.db2.gz ANZGOVNSKALSGN-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001121720004 1371918592 /nfs/dbraw/zinc/91/85/92/1371918592.db2.gz LECVGLQLQHLCLC-NEPJUHHUSA-N 1 0 347.423 2.120 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC001576595412 1403588032 /nfs/dbraw/zinc/58/80/32/1403588032.db2.gz GJLTZKHTGSTUTM-KKZNHRDASA-N 1 0 340.811 2.276 20 5 EEBDRO C[C@@H]1C[C@@H](CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001576599194 1403589319 /nfs/dbraw/zinc/58/93/19/1403589319.db2.gz QODWPCSTWLSUJW-IGCXYCKISA-N 1 0 335.404 2.090 20 5 EEBDRO CC1(C)CC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846955795 790774294 /nfs/dbraw/zinc/77/42/94/790774294.db2.gz GXYMSUYTFUSCKQ-INIZCTEOSA-N 1 0 346.431 2.022 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000894017170 780405052 /nfs/dbraw/zinc/40/50/52/780405052.db2.gz YPTRPSTZDMBODI-GDZNZVCISA-N 1 0 332.404 2.249 20 5 EEBDRO COc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000809735121 783319843 /nfs/dbraw/zinc/31/98/43/783319843.db2.gz XPSGZAZXQWOIPR-UHFFFAOYSA-N 1 0 347.371 2.283 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000906503241 783969498 /nfs/dbraw/zinc/96/94/98/783969498.db2.gz VHNMVUPJRBTRFJ-SNVBAGLBSA-N 1 0 344.209 2.393 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000906503239 783969869 /nfs/dbraw/zinc/96/98/69/783969869.db2.gz VHNMVUPJRBTRFJ-JTQLQIEISA-N 1 0 344.209 2.393 20 5 EEBDRO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC000997770916 791040856 /nfs/dbraw/zinc/04/08/56/791040856.db2.gz BJQFJHYHWPUKBG-NVXWUHKLSA-N 1 0 349.406 2.128 20 5 EEBDRO C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000818008659 785162218 /nfs/dbraw/zinc/16/22/18/785162218.db2.gz JBYNZMLBTLLRRT-GXSJLCMTSA-N 1 0 343.786 2.373 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000818988350 785354553 /nfs/dbraw/zinc/35/45/53/785354553.db2.gz IVPZLPXOLXDXAN-INIZCTEOSA-N 1 0 335.404 2.011 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819275650 785503333 /nfs/dbraw/zinc/50/33/33/785503333.db2.gz ZRQRVCXGBVDNIG-BXUZGUMPSA-N 1 0 339.392 2.131 20 5 EEBDRO C[NH+]1CCN(Cc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000822500297 787244336 /nfs/dbraw/zinc/24/43/36/787244336.db2.gz NNDJGIOKUFHQOQ-UHFFFAOYSA-N 1 0 348.447 2.208 20 5 EEBDRO C[NH+](C)CCCC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107474833 787348628 /nfs/dbraw/zinc/34/86/28/787348628.db2.gz BRKDYHCYBSLFDQ-ARJAWSKDSA-N 1 0 338.383 2.160 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000843843640 788685221 /nfs/dbraw/zinc/68/52/21/788685221.db2.gz SKMGSCBPYVLJBY-CHWSQXEVSA-N 1 0 341.408 2.160 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455748 789113317 /nfs/dbraw/zinc/11/33/17/789113317.db2.gz OQVSGNJNIWKBMF-PHIMTYICSA-N 1 0 341.314 2.129 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000923376021 789458949 /nfs/dbraw/zinc/45/89/49/789458949.db2.gz SZMYFTJSQCYGER-QZTJIDSGSA-N 1 0 327.384 2.275 20 5 EEBDRO COc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000845663669 789913403 /nfs/dbraw/zinc/91/34/03/789913403.db2.gz UCIXAHDTYJSILS-JTQLQIEISA-N 1 0 326.324 2.384 20 5 EEBDRO O=C(CCCc1ccccn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148591970 792577089 /nfs/dbraw/zinc/57/70/89/792577089.db2.gz MGYASAUVOHBMTI-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001093686140 795554206 /nfs/dbraw/zinc/55/42/06/795554206.db2.gz CGUFCQTXCWAAMD-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO COCCn1cnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172905921 797132010 /nfs/dbraw/zinc/13/20/10/797132010.db2.gz UKBCJHTWMLZQPN-MRXNPFEDSA-N 1 0 344.415 2.475 20 5 EEBDRO C[N@H+](CC1COC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018686 797198934 /nfs/dbraw/zinc/19/89/34/797198934.db2.gz ZAOJEAJZLREXRX-UHFFFAOYSA-N 1 0 341.358 2.420 20 5 EEBDRO CCOC(=O)CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175374 797276434 /nfs/dbraw/zinc/27/64/34/797276434.db2.gz BFUAUBAFHQJWDK-SNVBAGLBSA-N 1 0 328.340 2.216 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(C)([NH3+])CC2)c1F ZINC001173185369 797280197 /nfs/dbraw/zinc/28/01/97/797280197.db2.gz YSPHNBMVQQSWSO-NSHDSACASA-N 1 0 325.384 2.487 20 5 EEBDRO COC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173182400 797280498 /nfs/dbraw/zinc/28/04/98/797280498.db2.gz ROTPVNMUMVSQJD-MNOVXSKESA-N 1 0 340.351 2.168 20 5 EEBDRO Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001173238412 797324063 /nfs/dbraw/zinc/32/40/63/797324063.db2.gz RXFVOSIVUJUHDJ-HNNXBMFYSA-N 1 0 341.415 2.446 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095233572 797565093 /nfs/dbraw/zinc/56/50/93/797565093.db2.gz DJQKCCMBYJFAJJ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CC1(C)CCC(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001002786440 798607717 /nfs/dbraw/zinc/60/77/17/798607717.db2.gz AUGLBWNOOTXZCS-HZPDHXFCSA-N 1 0 337.464 2.449 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001128284951 798653275 /nfs/dbraw/zinc/65/32/75/798653275.db2.gz QFQWTWUEZTXJSR-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO C[NH+](C)C1(C(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001110253436 801054015 /nfs/dbraw/zinc/05/40/15/801054015.db2.gz XQLBDFXZCYNIMA-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC1 ZINC000946589418 801543404 /nfs/dbraw/zinc/54/34/04/801543404.db2.gz YAXXLXFIOFIGAE-XMTFNYHQSA-N 1 0 343.427 2.022 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC001086011950 801926125 /nfs/dbraw/zinc/92/61/25/801926125.db2.gz ZUCIESNMFRBRMS-FZNQNYSPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084627 802116696 /nfs/dbraw/zinc/11/66/96/802116696.db2.gz YXCOFJZEJBZXHO-QKPAOTATSA-N 1 0 335.448 2.106 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC001086320022 802735856 /nfs/dbraw/zinc/73/58/56/802735856.db2.gz GKDGLXPBOTWZRG-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)Nc1nccs1 ZINC001168912030 803511893 /nfs/dbraw/zinc/51/18/93/803511893.db2.gz IEURAMNPSRCZPP-UHFFFAOYSA-N 1 0 333.373 2.095 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168982874 803546722 /nfs/dbraw/zinc/54/67/22/803546722.db2.gz JDWONMKHHPJIDF-RFGFWPKPSA-N 1 0 327.425 2.467 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168960244 803549900 /nfs/dbraw/zinc/54/99/00/803549900.db2.gz FIDZUFWAPQIWJT-UAGQMJEPSA-N 1 0 345.443 2.151 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964200 803552245 /nfs/dbraw/zinc/55/22/45/803552245.db2.gz RTTKWOHKWQGIAU-XDQVBPFNSA-N 1 0 327.425 2.277 20 5 EEBDRO CC(C)(C)C(=O)CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991925 803559035 /nfs/dbraw/zinc/55/90/35/803559035.db2.gz IHWRAKHZPXENKG-UKRRQHHQSA-N 1 0 325.453 2.101 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ncnc4ccccc43)C2)C1 ZINC001168994079 803561276 /nfs/dbraw/zinc/56/12/76/803561276.db2.gz OQLMNYXGVZHODY-SOUVJXGZSA-N 1 0 341.415 2.244 20 5 EEBDRO COc1cccnc1C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997561 803563136 /nfs/dbraw/zinc/56/31/36/803563136.db2.gz DLNUBCORKZLAOD-CABCVRRESA-N 1 0 349.431 2.173 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCS(=O)(=O)CC2)C1 ZINC001168998105 803564040 /nfs/dbraw/zinc/56/40/40/803564040.db2.gz IFQJNFHLMJSMDP-HUUCEWRRSA-N 1 0 344.477 2.159 20 5 EEBDRO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006329 803567946 /nfs/dbraw/zinc/56/79/46/803567946.db2.gz XNSRXSROGONUSH-AAVRWANBSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001169007658 803569217 /nfs/dbraw/zinc/56/92/17/803569217.db2.gz OYOFDTHLQYRNDR-STQMWFEESA-N 1 0 327.425 2.469 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169011074 803570788 /nfs/dbraw/zinc/57/07/88/803570788.db2.gz IBSACRGAGJDCHJ-ZQDZILKHSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169011071 803570875 /nfs/dbraw/zinc/57/08/75/803570875.db2.gz IBSACRGAGJDCHJ-BYNSBNAKSA-N 1 0 339.436 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2cc(CN3CC[NH2+]CC3)c3cccnc32)C1 ZINC001169036475 803580031 /nfs/dbraw/zinc/58/00/31/803580031.db2.gz OPZBXMXTFTXTNB-GDBMZVCRSA-N 1 0 343.431 2.059 20 5 EEBDRO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169019450 803587449 /nfs/dbraw/zinc/58/74/49/803587449.db2.gz IDLGQOWVFBBRSB-OKZBNKHCSA-N 1 0 339.480 2.255 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ccccc2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001169024129 803589838 /nfs/dbraw/zinc/58/98/38/803589838.db2.gz QCNKAOWNYDBHQY-BVBHFADKSA-N 1 0 345.443 2.459 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)c1ccc(F)cc1 ZINC001169055864 803597039 /nfs/dbraw/zinc/59/70/39/803597039.db2.gz QVUXRPKLJVKOJG-XYPHTWIQSA-N 1 0 349.406 2.465 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1cccc(F)c1 ZINC001169054894 803597140 /nfs/dbraw/zinc/59/71/40/803597140.db2.gz OBTJKOWJCUKXEF-XKQJLSEDSA-N 1 0 349.406 2.465 20 5 EEBDRO CC1(C)C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169143555 803634729 /nfs/dbraw/zinc/63/47/29/803634729.db2.gz KPGNZDYABPHCGV-HWPZZCPQSA-N 1 0 335.408 2.044 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790912082 808994962 /nfs/dbraw/zinc/99/49/62/808994962.db2.gz NGWUSXFBIPPGSW-VHSXEESVSA-N 1 0 343.786 2.481 20 5 EEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170313984 809886455 /nfs/dbraw/zinc/88/64/55/809886455.db2.gz SKJSFRLGSNKWAN-IACUBPJLSA-N 1 0 336.388 2.466 20 5 EEBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355348 809902723 /nfs/dbraw/zinc/90/27/23/809902723.db2.gz AMRKUDPWPZPXDC-DOMZBBRYSA-N 1 0 335.404 2.135 20 5 EEBDRO O=C(COC1CCCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130684625 811944121 /nfs/dbraw/zinc/94/41/21/811944121.db2.gz WGTXZSXFLYVPEG-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c(C)cc2OC)CC[NH2+]C1 ZINC001170517656 812070671 /nfs/dbraw/zinc/07/06/71/812070671.db2.gz TVUCOTVHBZMDEM-UHFFFAOYSA-N 1 0 335.360 2.134 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170571555 812985370 /nfs/dbraw/zinc/98/53/70/812985370.db2.gz MYAHLPGNDSTFAQ-BXKDBHETSA-N 1 0 329.784 2.354 20 5 EEBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000931601502 1126135690 /nfs/dbraw/zinc/13/56/90/1126135690.db2.gz QBYVALWXBSIRAP-QGZVFWFLSA-N 1 0 331.372 2.082 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001517388991 1119032947 /nfs/dbraw/zinc/03/29/47/1119032947.db2.gz CFENIANFRDCTPB-MELADBBJSA-N 1 0 338.456 2.191 20 5 EEBDRO C[NH2+][C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522812148 1119510306 /nfs/dbraw/zinc/51/03/06/1119510306.db2.gz QWZWOOQYRVPRKN-INIZCTEOSA-N 1 0 327.384 2.084 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051469727 214094927 /nfs/dbraw/zinc/09/49/27/214094927.db2.gz SLJBDKPANQUWJT-UHFFFAOYSA-N 1 0 334.401 2.400 20 5 EEBDRO CC(C)[NH+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000055221581 214291217 /nfs/dbraw/zinc/29/12/17/214291217.db2.gz VHUXNWNQVPBMIF-UHFFFAOYSA-N 1 0 347.412 2.131 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159774451 529785928 /nfs/dbraw/zinc/78/59/28/529785928.db2.gz ZOWAGCCQEOPWOP-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418788769 530004398 /nfs/dbraw/zinc/00/43/98/530004398.db2.gz KNICAFXOQRSTTH-AEGPPILISA-N 1 0 332.404 2.124 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000153960153 530064627 /nfs/dbraw/zinc/06/46/27/530064627.db2.gz ZWKOCDLNHNZTEG-NHYWBVRUSA-N 1 0 343.387 2.027 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000178691376 232381582 /nfs/dbraw/zinc/38/15/82/232381582.db2.gz YWXYDCOOOCHPQC-RYUDHWBXSA-N 1 0 329.360 2.371 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181429585 234182581 /nfs/dbraw/zinc/18/25/81/234182581.db2.gz PKYXCPVIMQBDJN-NSHDSACASA-N 1 0 343.330 2.362 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537748 234223282 /nfs/dbraw/zinc/22/32/82/234223282.db2.gz SZYVMTDEKOXTOE-LRDDRELGSA-N 1 0 332.356 2.391 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000352805654 283073728 /nfs/dbraw/zinc/07/37/28/283073728.db2.gz PVXSFIKBNCZBFW-IAQYHMDHSA-N 1 0 328.372 2.242 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)(C)O)C1CC1 ZINC000189895107 237365693 /nfs/dbraw/zinc/36/56/93/237365693.db2.gz ZRSBIXVNNHOIMP-UHFFFAOYSA-N 1 0 335.404 2.467 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072271317 216095135 /nfs/dbraw/zinc/09/51/35/216095135.db2.gz JMSTZGZTHFOEQF-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193666184 240257876 /nfs/dbraw/zinc/25/78/76/240257876.db2.gz LLJSOFLFRPMNGJ-UHFFFAOYSA-N 1 0 348.403 2.222 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)o1 ZINC000447978976 242348850 /nfs/dbraw/zinc/34/88/50/242348850.db2.gz SGAKAVPRUBBHKA-YOEHRIQHSA-N 1 0 332.356 2.484 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000236665716 242312697 /nfs/dbraw/zinc/31/26/97/242312697.db2.gz VTGAIDUPFVDUNK-AWEZNQCLSA-N 1 0 346.431 2.265 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000236850142 242382608 /nfs/dbraw/zinc/38/26/08/242382608.db2.gz AJKLWTBMSHKVTJ-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1nccc2c1cccc2[N+](=O)[O-] ZINC000450364760 242797000 /nfs/dbraw/zinc/79/70/00/242797000.db2.gz MIIIVMKIWVGSPG-UHFFFAOYSA-N 1 0 344.400 2.407 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112114683 220246128 /nfs/dbraw/zinc/24/61/28/220246128.db2.gz GTZQFSHKJCZMID-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000264087299 246053927 /nfs/dbraw/zinc/05/39/27/246053927.db2.gz RNMKQROQOPLEGW-UHFFFAOYSA-N 1 0 344.415 2.350 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000265093601 247196522 /nfs/dbraw/zinc/19/65/22/247196522.db2.gz QQIOWBUOEPDAQX-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103242 248098463 /nfs/dbraw/zinc/09/84/63/248098463.db2.gz SGYATZCGUONJGY-BDJLRTHQSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000266316880 248244093 /nfs/dbraw/zinc/24/40/93/248244093.db2.gz FBKXPIVTCCPCEP-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173989745 284783059 /nfs/dbraw/zinc/78/30/59/284783059.db2.gz QBUNLGRTIDWUGO-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000153682717 296389098 /nfs/dbraw/zinc/38/90/98/296389098.db2.gz YOIKGTFSVSJRMP-CYBMUJFWSA-N 1 0 344.415 2.467 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459509188 285189391 /nfs/dbraw/zinc/18/93/91/285189391.db2.gz BUGAUIXXNPRCBA-UHFFFAOYSA-N 1 0 342.399 2.355 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000151861934 296401017 /nfs/dbraw/zinc/40/10/17/296401017.db2.gz DAFAFRADQPQGHJ-GFCCVEGCSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268967942 255506098 /nfs/dbraw/zinc/50/60/98/255506098.db2.gz NHQKQINMXWFOMU-HZPDHXFCSA-N 1 0 348.403 2.094 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000246154798 256014743 /nfs/dbraw/zinc/01/47/43/256014743.db2.gz DHBOUYMBRPSQQU-XJKSGUPXSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000267460049 256061627 /nfs/dbraw/zinc/06/16/27/256061627.db2.gz UVMCGTPBCNTVBV-BLLLJJGKSA-N 1 0 343.387 2.175 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268157628 256120424 /nfs/dbraw/zinc/12/04/24/256120424.db2.gz HIJWLIHKYCEQRO-ZANVPECISA-N 1 0 348.359 2.024 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268161253 256121012 /nfs/dbraw/zinc/12/10/12/256121012.db2.gz YFUYHMKSUYXLCU-GFCCVEGCSA-N 1 0 326.784 2.142 20 5 EEBDRO COc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000271746985 256240104 /nfs/dbraw/zinc/24/01/04/256240104.db2.gz XPWBSPLFRYMXOK-UHFFFAOYSA-N 1 0 329.356 2.044 20 5 EEBDRO COc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000272831747 256242330 /nfs/dbraw/zinc/24/23/30/256242330.db2.gz MVHAQDPMPMIJCR-UHFFFAOYSA-N 1 0 334.376 2.305 20 5 EEBDRO Cc1ccnc(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000273041743 256259872 /nfs/dbraw/zinc/25/98/72/256259872.db2.gz WULQSGZDAJNGGJ-UHFFFAOYSA-N 1 0 331.376 2.038 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273531371 256304502 /nfs/dbraw/zinc/30/45/02/256304502.db2.gz RINYENXYPSIDFX-LSDHHAIUSA-N 1 0 335.429 2.247 20 5 EEBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273557963 256306699 /nfs/dbraw/zinc/30/66/99/256306699.db2.gz WQESHYPMZJAMSK-CVEARBPZSA-N 1 0 349.456 2.176 20 5 EEBDRO CCCN(CCC[NH+](C)C)c1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000276056714 256398948 /nfs/dbraw/zinc/39/89/48/256398948.db2.gz AYTSIWATFLNHIR-UHFFFAOYSA-N 1 0 338.408 2.335 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000274162221 256359430 /nfs/dbraw/zinc/35/94/30/256359430.db2.gz GQJJVROSHRJCKP-UGSOOPFHSA-N 1 0 344.415 2.382 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccn2)c1 ZINC000183565891 533406862 /nfs/dbraw/zinc/40/68/62/533406862.db2.gz FLGUPSBIIZTFSJ-CYBMUJFWSA-N 1 0 326.360 2.328 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000187970313 533524595 /nfs/dbraw/zinc/52/45/95/533524595.db2.gz FJAKKWMXTWSCDE-CQSZACIVSA-N 1 0 347.415 2.470 20 5 EEBDRO CCOC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000120512082 142391856 /nfs/dbraw/zinc/39/18/56/142391856.db2.gz JCODWMLNCXUIPU-HNNXBMFYSA-N 1 0 349.387 2.259 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C[NH3+])CCCC1 ZINC000154401947 142415742 /nfs/dbraw/zinc/41/57/42/142415742.db2.gz NXUUGSQICUNEBL-SNVBAGLBSA-N 1 0 341.795 2.403 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087136927 292206104 /nfs/dbraw/zinc/20/61/04/292206104.db2.gz AMBHQOHVZYPBAB-CYBMUJFWSA-N 1 0 332.404 2.004 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000360618338 152125590 /nfs/dbraw/zinc/12/55/90/152125590.db2.gz IKTREBSBQDGRAK-UHFFFAOYSA-N 1 0 348.378 2.000 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000249149498 160375851 /nfs/dbraw/zinc/37/58/51/160375851.db2.gz XKPKQKNQYDGRSU-CHWSQXEVSA-N 1 0 349.387 2.054 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000253385711 160394596 /nfs/dbraw/zinc/39/45/96/160394596.db2.gz UHIWNHVWTILVJY-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO CC(C)(CCS(C)(=O)=O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255355312 160397472 /nfs/dbraw/zinc/39/74/72/160397472.db2.gz DKGYJKMIBJCFSL-VURMDHGXSA-N 1 0 326.418 2.411 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000081332623 159151002 /nfs/dbraw/zinc/15/10/02/159151002.db2.gz FJWUBPKFADBXNL-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000193661354 160185537 /nfs/dbraw/zinc/18/55/37/160185537.db2.gz XOKPMPUZJJMFSE-IBGZPJMESA-N 1 0 341.411 2.320 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340136347 160901256 /nfs/dbraw/zinc/90/12/56/160901256.db2.gz JIGGQTYWMNESNX-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000342130399 161042219 /nfs/dbraw/zinc/04/22/19/161042219.db2.gz OWSPRECYKXFBLP-UHFFFAOYSA-N 1 0 344.371 2.132 20 5 EEBDRO CCOC(=O)c1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000343852068 161174574 /nfs/dbraw/zinc/17/45/74/161174574.db2.gz LJDXOFUJSSXMBY-UHFFFAOYSA-N 1 0 339.417 2.232 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000344797219 161246780 /nfs/dbraw/zinc/24/67/80/161246780.db2.gz WCQFTHOTQCVEIP-MXHVWWQHSA-N 1 0 331.416 2.451 20 5 EEBDRO CC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](CC)CC ZINC000345586591 161313625 /nfs/dbraw/zinc/31/36/25/161313625.db2.gz JNQFHOVCEFGROS-KRWDZBQOSA-N 1 0 348.447 2.364 20 5 EEBDRO Cn1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000345675057 161321891 /nfs/dbraw/zinc/32/18/91/161321891.db2.gz GGQQDMGYIZWFEZ-UHFFFAOYSA-N 1 0 342.399 2.459 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352502157 162161296 /nfs/dbraw/zinc/16/12/96/162161296.db2.gz ZNMMHEDQKJTKRT-AWEZNQCLSA-N 1 0 341.433 2.056 20 5 EEBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000355607238 163247975 /nfs/dbraw/zinc/24/79/75/163247975.db2.gz NIBCLWPCENZENL-LBPRGKRZSA-N 1 0 340.401 2.084 20 5 EEBDRO C[C@H]1C[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000359608185 164135874 /nfs/dbraw/zinc/13/58/74/164135874.db2.gz DOOVVNRSVFKPFO-STQMWFEESA-N 1 0 333.388 2.046 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374408876 167036756 /nfs/dbraw/zinc/03/67/56/167036756.db2.gz AOKUKNPSVSFHHU-ZIAGYGMSSA-N 1 0 333.388 2.200 20 5 EEBDRO Cc1c(Br)cc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000269982124 268768979 /nfs/dbraw/zinc/76/89/79/268768979.db2.gz PRCNZBLVKVBLAT-MRVPVSSYSA-N 1 0 344.209 2.346 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000272299239 268946837 /nfs/dbraw/zinc/94/68/37/268946837.db2.gz QHUDPVONQMEAGT-OLZOCXBDSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](C)O1 ZINC000275405078 269113752 /nfs/dbraw/zinc/11/37/52/269113752.db2.gz RSWKSTRHQRNQGF-CHWSQXEVSA-N 1 0 334.420 2.474 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277438792 269156324 /nfs/dbraw/zinc/15/63/24/269156324.db2.gz FDTQNTNDPVRTPH-GFCCVEGCSA-N 1 0 335.408 2.188 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000278251900 269219206 /nfs/dbraw/zinc/21/92/06/269219206.db2.gz CAWIXVVOYPHFLY-CYBMUJFWSA-N 1 0 348.403 2.312 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000236665920 273599925 /nfs/dbraw/zinc/59/99/25/273599925.db2.gz BDXAZQJVPXKBSG-ZDUSSCGKSA-N 1 0 332.404 2.004 20 5 EEBDRO CC1CC[NH+](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043892912 273918149 /nfs/dbraw/zinc/91/81/49/273918149.db2.gz AAYRRASKCQWFLS-UHFFFAOYSA-N 1 0 349.435 2.038 20 5 EEBDRO COC(=O)CCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271841893 274157991 /nfs/dbraw/zinc/15/79/91/274157991.db2.gz TXSZQMCBMLRTRI-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272600409 274177049 /nfs/dbraw/zinc/17/70/49/274177049.db2.gz YLTXODAJMGBIEP-FZMZJTMJSA-N 1 0 339.342 2.239 20 5 EEBDRO Cc1cc(NCCN2C(=O)CCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272790521 274182010 /nfs/dbraw/zinc/18/20/10/274182010.db2.gz CCQFJSPRZDAXOJ-UHFFFAOYSA-N 1 0 328.328 2.012 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275423962 274246850 /nfs/dbraw/zinc/24/68/50/274246850.db2.gz HZKXEBGIUYKNEO-HNNXBMFYSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275498356 274254013 /nfs/dbraw/zinc/25/40/13/274254013.db2.gz QPBJNMALHLLQSZ-HNNXBMFYSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278665998 274385147 /nfs/dbraw/zinc/38/51/47/274385147.db2.gz NRLPJFNDWMFWEX-MEDUHNTESA-N 1 0 349.412 2.348 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743061 274398073 /nfs/dbraw/zinc/39/80/73/274398073.db2.gz VPDDRKRSCJCHJF-SJCJKPOMSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000253190654 274564102 /nfs/dbraw/zinc/56/41/02/274564102.db2.gz LKFUVFRHKOBTEA-DTWKUNHWSA-N 1 0 329.198 2.173 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262755675 274605467 /nfs/dbraw/zinc/60/54/67/274605467.db2.gz KHNUKVDGVPYXAC-QPUJVOFHSA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285033234 274668496 /nfs/dbraw/zinc/66/84/96/274668496.db2.gz HTOGHXDOGJDNNW-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373501 274865408 /nfs/dbraw/zinc/86/54/08/274865408.db2.gz YUKGZBYPIUXDJD-YDHLFZDLSA-N 1 0 335.404 2.371 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000287805614 274994818 /nfs/dbraw/zinc/99/48/18/274994818.db2.gz PNCQGRUHUQDJFM-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453618 275060070 /nfs/dbraw/zinc/06/00/70/275060070.db2.gz PPDWDDZZDZBRAC-PWSUYJOCSA-N 1 0 336.367 2.015 20 5 EEBDRO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000290529675 275215562 /nfs/dbraw/zinc/21/55/62/275215562.db2.gz NXDAGXPMYJBDGF-CYBMUJFWSA-N 1 0 335.408 2.011 20 5 EEBDRO CCCN(CC[NH+]1CCCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291121048 275272693 /nfs/dbraw/zinc/27/26/93/275272693.db2.gz MEBVVPZZOWQRHO-UHFFFAOYSA-N 1 0 349.435 2.181 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192993083 276388589 /nfs/dbraw/zinc/38/85/89/276388589.db2.gz REGLBFJJAIAQIA-IAQYHMDHSA-N 1 0 326.418 2.385 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422636669 281261230 /nfs/dbraw/zinc/26/12/30/281261230.db2.gz NJSYPBYNYQYXJA-MJBXVCDLSA-N 1 0 334.420 2.147 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000449746850 281396994 /nfs/dbraw/zinc/39/69/94/281396994.db2.gz HERILGBZYGVXCD-SFHVURJKSA-N 1 0 349.434 2.411 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000281931045 292797739 /nfs/dbraw/zinc/79/77/39/292797739.db2.gz AYZNIYNNUXSREX-GZBFAFLISA-N 1 0 337.395 2.370 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293475748 293218615 /nfs/dbraw/zinc/21/86/15/293218615.db2.gz QWLLCWDWPRVWPZ-SKDRFNHKSA-N 1 0 343.305 2.438 20 5 EEBDRO COc1cccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)c1 ZINC000294420907 293449534 /nfs/dbraw/zinc/44/95/34/293449534.db2.gz NEIFUJDEIBDMPY-HNNXBMFYSA-N 1 0 337.420 2.250 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)CCC2 ZINC000297324910 294212092 /nfs/dbraw/zinc/21/20/92/294212092.db2.gz NOFULKAGLIRQPN-YJBOKZPZSA-N 1 0 333.432 2.409 20 5 EEBDRO CC(C)(CCc1nc(-c2ccnc(-n3ccnc3)c2)no1)[N+](=O)[O-] ZINC000297504904 294263666 /nfs/dbraw/zinc/26/36/66/294263666.db2.gz CEYUYMWKBOOKBS-UHFFFAOYSA-N 1 0 328.332 2.305 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348737 294427265 /nfs/dbraw/zinc/42/72/65/294427265.db2.gz UPAILUASNYGAGL-AEFFLSMTSA-N 1 0 343.431 2.397 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000423575494 303638368 /nfs/dbraw/zinc/63/83/68/303638368.db2.gz QHNZWNMXBCGVPG-SECBINFHSA-N 1 0 329.809 2.066 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCC[NH2+]C1 ZINC000414940533 313113411 /nfs/dbraw/zinc/11/34/11/313113411.db2.gz BRMMCWVWGHVBCR-QMMMGPOBSA-N 1 0 330.291 2.070 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000414957109 313115214 /nfs/dbraw/zinc/11/52/14/313115214.db2.gz VSUPAPLHFHSUMN-BDAKNGLRSA-N 1 0 344.318 2.410 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000421705167 314145542 /nfs/dbraw/zinc/14/55/42/314145542.db2.gz QRIJQDAJMJSMJP-ZDUSSCGKSA-N 1 0 325.796 2.343 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000421781635 314162919 /nfs/dbraw/zinc/16/29/19/314162919.db2.gz AZMPGRRUBYYKLS-HNNXBMFYSA-N 1 0 349.431 2.178 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000422638726 314297663 /nfs/dbraw/zinc/29/76/63/314297663.db2.gz RGKCMADODZUYBY-BZPMIXESSA-N 1 0 345.403 2.450 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000433861500 314800155 /nfs/dbraw/zinc/80/01/55/314800155.db2.gz BVSQSZXHSIHFEL-UHFFFAOYSA-N 1 0 337.424 2.436 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434698208 314858338 /nfs/dbraw/zinc/85/83/38/314858338.db2.gz DDYJRHJZSFPAPN-SCVCMEIPSA-N 1 0 341.795 2.272 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440071387 315110688 /nfs/dbraw/zinc/11/06/88/315110688.db2.gz BJTPSISLSLRLMT-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493057425 315866448 /nfs/dbraw/zinc/86/64/48/315866448.db2.gz UYJKMZJOVNASPJ-ZWOPJXCPSA-N 1 0 329.400 2.456 20 5 EEBDRO CC(C)[NH2+]CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000518959642 316753988 /nfs/dbraw/zinc/75/39/88/316753988.db2.gz CPVCVOIFTJPNKG-MRXNPFEDSA-N 1 0 331.420 2.395 20 5 EEBDRO COCc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000521104508 316894925 /nfs/dbraw/zinc/89/49/25/316894925.db2.gz XAEDVGYUQCRCQA-INIZCTEOSA-N 1 0 346.383 2.271 20 5 EEBDRO CN(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000530778715 317747609 /nfs/dbraw/zinc/74/76/09/317747609.db2.gz WHAGITZABCFOKC-UHFFFAOYSA-N 1 0 341.415 2.248 20 5 EEBDRO COc1ccc(CC(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000536641392 318006286 /nfs/dbraw/zinc/00/62/86/318006286.db2.gz MDKZDXFVROPVSD-UHFFFAOYSA-N 1 0 347.415 2.233 20 5 EEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000560468398 318793214 /nfs/dbraw/zinc/79/32/14/318793214.db2.gz WJHQWKGUASOWGX-UHFFFAOYSA-N 1 0 347.371 2.070 20 5 EEBDRO COc1ccc(OCCN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000564096343 319067274 /nfs/dbraw/zinc/06/72/74/319067274.db2.gz JPFXVMWCRXBJMS-UONOGXRCSA-N 1 0 335.404 2.151 20 5 EEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1[NH+](C)C ZINC000565230561 319164785 /nfs/dbraw/zinc/16/47/85/319164785.db2.gz SVMRSHYTXUESDM-OLZOCXBDSA-N 1 0 340.449 2.259 20 5 EEBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000566118589 319247772 /nfs/dbraw/zinc/24/77/72/319247772.db2.gz DMWJBHHXFLCEKP-OAHLLOKOSA-N 1 0 331.372 2.136 20 5 EEBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC(=O)N(C)C1 ZINC000577572748 320262541 /nfs/dbraw/zinc/26/25/41/320262541.db2.gz LGUXVCHKOGYTOH-OAHLLOKOSA-N 1 0 344.371 2.302 20 5 EEBDRO Cc1cccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577741362 320273055 /nfs/dbraw/zinc/27/30/55/320273055.db2.gz IBXLHKUHHWUUHK-INIZCTEOSA-N 1 0 332.404 2.028 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382462248 323525036 /nfs/dbraw/zinc/52/50/36/323525036.db2.gz XBMWIBGYXUHDJV-MNOVXSKESA-N 1 0 342.193 2.357 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCCS1 ZINC000580829369 324136225 /nfs/dbraw/zinc/13/62/25/324136225.db2.gz ATBBXJIXFNMTCF-OLZOCXBDSA-N 1 0 326.418 2.210 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000581022536 324171863 /nfs/dbraw/zinc/17/18/63/324171863.db2.gz YIFGJYRNZMRQTN-CQSZACIVSA-N 1 0 335.404 2.295 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000583983815 324771336 /nfs/dbraw/zinc/77/13/36/324771336.db2.gz OVEKYOPCMFKXRR-OAHLLOKOSA-N 1 0 332.404 2.126 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255078369 465025024 /nfs/dbraw/zinc/02/50/24/465025024.db2.gz XEIAXGICYKRQHK-FJVVXJACSA-N 1 0 335.404 2.081 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165849999 463649029 /nfs/dbraw/zinc/64/90/29/463649029.db2.gz BESIUZCUJKZGEF-UHFFFAOYSA-N 1 0 342.193 2.168 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000292826417 464355485 /nfs/dbraw/zinc/35/54/85/464355485.db2.gz PHQHCVAINFUKNX-KRWDZBQOSA-N 1 0 343.387 2.166 20 5 EEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000354580413 465035911 /nfs/dbraw/zinc/03/59/11/465035911.db2.gz TXZVMQQHZVXGEC-KGLIPLIRSA-N 1 0 327.388 2.484 20 5 EEBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862437 465056537 /nfs/dbraw/zinc/05/65/37/465056537.db2.gz JGWFZLPTPCUXOO-KGLIPLIRSA-N 1 0 326.418 2.349 20 5 EEBDRO O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000351028436 465057246 /nfs/dbraw/zinc/05/72/46/465057246.db2.gz QYUQUAWYLMPVNQ-UHFFFAOYSA-N 1 0 333.388 2.248 20 5 EEBDRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000341272356 465086612 /nfs/dbraw/zinc/08/66/12/465086612.db2.gz XUDGHUHJSUHWCP-GHMZBOCLSA-N 1 0 343.811 2.329 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000341276571 465087769 /nfs/dbraw/zinc/08/77/69/465087769.db2.gz GAHHHPXZYYZKPS-UHFFFAOYSA-N 1 0 349.431 2.143 20 5 EEBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688323 465170582 /nfs/dbraw/zinc/17/05/82/465170582.db2.gz VAPYDIMUHJFIKU-GXTWGEPZSA-N 1 0 347.371 2.089 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000341501256 465202263 /nfs/dbraw/zinc/20/22/63/465202263.db2.gz QQWSQOXTODMFTM-UHFFFAOYSA-N 1 0 338.795 2.238 20 5 EEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1ccc3c(c1)OCCO3)CC2 ZINC000347794160 465231839 /nfs/dbraw/zinc/23/18/39/465231839.db2.gz YVTSEDCDZYOTPD-UHFFFAOYSA-N 1 0 341.367 2.362 20 5 EEBDRO CC(C)C[C@H](C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347815671 465244031 /nfs/dbraw/zinc/24/40/31/465244031.db2.gz ZEQLFNZACIBLHI-ZDUSSCGKSA-N 1 0 343.449 2.145 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000578890419 468275633 /nfs/dbraw/zinc/27/56/33/468275633.db2.gz OGNDTKXWFBJXCG-FZMZJTMJSA-N 1 0 339.417 2.015 20 5 EEBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000337435150 465368768 /nfs/dbraw/zinc/36/87/68/465368768.db2.gz WKQDSMIFSIFVRQ-JKSUJKDBSA-N 1 0 336.367 2.278 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659166 468298517 /nfs/dbraw/zinc/29/85/17/468298517.db2.gz HXMMTHNVCKJAIJ-KBXCAEBGSA-N 1 0 348.399 2.253 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000112924834 462554640 /nfs/dbraw/zinc/55/46/40/462554640.db2.gz KIFYXMACGNXHNX-UHFFFAOYSA-N 1 0 348.447 2.465 20 5 EEBDRO C[NH+](C)C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000063092858 462627475 /nfs/dbraw/zinc/62/74/75/462627475.db2.gz PYANGMQQEGURDL-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000088718025 462642142 /nfs/dbraw/zinc/64/21/42/462642142.db2.gz VRPYPIVVEWNGHC-INIZCTEOSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000075158544 462688693 /nfs/dbraw/zinc/68/86/93/462688693.db2.gz BWXYAKONJKRVLJ-CYBMUJFWSA-N 1 0 334.420 2.432 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008673 462765562 /nfs/dbraw/zinc/76/55/62/462765562.db2.gz GCNHVVFHICEQNU-MRXNPFEDSA-N 1 0 333.388 2.343 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)C1CC1 ZINC000090054332 462770922 /nfs/dbraw/zinc/77/09/22/462770922.db2.gz MDQMRSBREYXYJE-FUHWJXTLSA-N 1 0 334.416 2.293 20 5 EEBDRO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000076023474 462788591 /nfs/dbraw/zinc/78/85/91/462788591.db2.gz KHYRJAZPBHOIBG-LLVKDONJSA-N 1 0 343.449 2.387 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccn(CC[NH+](C)C)n1 ZINC000131932831 462834603 /nfs/dbraw/zinc/83/46/03/462834603.db2.gz GJWAXLGYXSBMGO-UHFFFAOYSA-N 1 0 333.392 2.364 20 5 EEBDRO Cc1noc(C)c1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119443188 462901613 /nfs/dbraw/zinc/90/16/13/462901613.db2.gz PHUCRPIIMAUYDJ-CYBMUJFWSA-N 1 0 331.376 2.324 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000076924422 462922291 /nfs/dbraw/zinc/92/22/91/462922291.db2.gz LKAWSWOHEBPSCA-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC(F)F ZINC000092628226 462967027 /nfs/dbraw/zinc/96/70/27/462967027.db2.gz ZBLPAYQRVRBRSG-VXGBXAGGSA-N 1 0 343.330 2.471 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000051538294 463040431 /nfs/dbraw/zinc/04/04/31/463040431.db2.gz XEGWBFYQMHPCDK-GFCCVEGCSA-N 1 0 325.796 2.407 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000077963834 463075408 /nfs/dbraw/zinc/07/54/08/463075408.db2.gz TYXVMMXSBNMVMY-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)cc1SC ZINC000157064382 463094813 /nfs/dbraw/zinc/09/48/13/463094813.db2.gz YJYPUGQGUDYBRX-SNVBAGLBSA-N 1 0 327.406 2.038 20 5 EEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000157150397 463103812 /nfs/dbraw/zinc/10/38/12/463103812.db2.gz IYPDATNCTNCEPA-NSHDSACASA-N 1 0 345.355 2.171 20 5 EEBDRO Cc1cnc(NCc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078655157 463137276 /nfs/dbraw/zinc/13/72/76/463137276.db2.gz XOVKBTLFKHYKDG-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468045 463140932 /nfs/dbraw/zinc/14/09/32/463140932.db2.gz WYBCJINSPUUMFJ-INIZCTEOSA-N 1 0 344.415 2.492 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000068777645 463173017 /nfs/dbraw/zinc/17/30/17/463173017.db2.gz XKRZWMRIKYHJIX-UHFFFAOYSA-N 1 0 339.367 2.055 20 5 EEBDRO CNC(=O)c1ccc(NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000053582791 463176977 /nfs/dbraw/zinc/17/69/77/463176977.db2.gz PEVKQZMBXNUZQH-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000027647589 463199691 /nfs/dbraw/zinc/19/96/91/463199691.db2.gz FNZYAENXCCHDBX-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000160801674 463372410 /nfs/dbraw/zinc/37/24/10/463372410.db2.gz SDAHPMVQGWXVFQ-VHSXEESVSA-N 1 0 327.331 2.476 20 5 EEBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000056890511 463431507 /nfs/dbraw/zinc/43/15/07/463431507.db2.gz IJBUDWJUNXIHGI-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057567524 463500458 /nfs/dbraw/zinc/50/04/58/463500458.db2.gz PKAJYSDNTSOHSC-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000041897004 463519075 /nfs/dbraw/zinc/51/90/75/463519075.db2.gz PWYXQAOWXQAXKF-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)c1cccc(F)c1 ZINC000359523500 465430596 /nfs/dbraw/zinc/43/05/96/465430596.db2.gz SRVSNIUOSIRKMT-MRXNPFEDSA-N 1 0 347.346 2.304 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000072672817 463533269 /nfs/dbraw/zinc/53/32/69/463533269.db2.gz MYRYLENNLWMFLE-CYBMUJFWSA-N 1 0 338.364 2.272 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000151762665 463587233 /nfs/dbraw/zinc/58/72/33/463587233.db2.gz SOSWNYDJFHFILW-UHFFFAOYSA-N 1 0 345.403 2.193 20 5 EEBDRO CCOc1cc(CN2CCOC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276857755 463783497 /nfs/dbraw/zinc/78/34/97/463783497.db2.gz FWOVHUOSAJIGHI-UHFFFAOYSA-N 1 0 336.388 2.375 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000177791139 463792845 /nfs/dbraw/zinc/79/28/45/463792845.db2.gz YHEUBCHPGJMHCS-KGLIPLIRSA-N 1 0 333.388 2.059 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261694358 463830317 /nfs/dbraw/zinc/83/03/17/463830317.db2.gz OAQJMALMUZVZFA-MRXNPFEDSA-N 1 0 325.368 2.141 20 5 EEBDRO COc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000261768763 463853461 /nfs/dbraw/zinc/85/34/61/463853461.db2.gz WQQBJWFFJLUMGF-VIFPVBQESA-N 1 0 348.384 2.128 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277050754 463856927 /nfs/dbraw/zinc/85/69/27/463856927.db2.gz CKFOBQBDGFXRCE-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269193213 463904559 /nfs/dbraw/zinc/90/45/59/463904559.db2.gz HUGSLNBMNGZNBS-GZMMTYOYSA-N 1 0 342.193 2.167 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000269198730 463907069 /nfs/dbraw/zinc/90/70/69/463907069.db2.gz SSSLYQQLWLHFCE-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178790078 463975391 /nfs/dbraw/zinc/97/53/91/463975391.db2.gz IHSAFHHCCZEXRG-LLVKDONJSA-N 1 0 332.385 2.200 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278799283 463987419 /nfs/dbraw/zinc/98/74/19/463987419.db2.gz QVYOKTYQDKUWLV-AOOOYVTPSA-N 1 0 326.194 2.355 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000269462313 463993031 /nfs/dbraw/zinc/99/30/31/463993031.db2.gz SKKZCSRNCVFHLM-LBPRGKRZSA-N 1 0 337.424 2.292 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186572171 464024707 /nfs/dbraw/zinc/02/47/07/464024707.db2.gz SVJIVVZYMKHKLL-CQSZACIVSA-N 1 0 344.371 2.367 20 5 EEBDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269704263 464063136 /nfs/dbraw/zinc/06/31/36/464063136.db2.gz MYQWLTHPXJNIHV-MRXNPFEDSA-N 1 0 330.388 2.274 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+]1CCCCC1 ZINC000279229969 464071428 /nfs/dbraw/zinc/07/14/28/464071428.db2.gz OSRCOBXAWWHWOR-NSHDSACASA-N 1 0 338.383 2.168 20 5 EEBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172584897 464110948 /nfs/dbraw/zinc/11/09/48/464110948.db2.gz XUEJWMMFOJXWCC-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179778504 464186498 /nfs/dbraw/zinc/18/64/98/464186498.db2.gz JNYIGARXTWZAGY-LBPRGKRZSA-N 1 0 328.372 2.167 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](C)CC1 ZINC000263835441 464210227 /nfs/dbraw/zinc/21/02/27/464210227.db2.gz BEPMJTJQUKAQHV-LBPRGKRZSA-N 1 0 331.376 2.343 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292417129 464226260 /nfs/dbraw/zinc/22/62/60/464226260.db2.gz WFKBHXPPHBZZPY-GOSISDBHSA-N 1 0 346.431 2.265 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000236927256 464240111 /nfs/dbraw/zinc/24/01/11/464240111.db2.gz PYBBUOHXFSKCPP-LLVKDONJSA-N 1 0 338.364 2.367 20 5 EEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000270577225 464261002 /nfs/dbraw/zinc/26/10/02/464261002.db2.gz PQETVXCXRCHFGV-DJIMGWMZSA-N 1 0 349.431 2.282 20 5 EEBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000188429974 464277700 /nfs/dbraw/zinc/27/77/00/464277700.db2.gz DNSZOXSFYWEJKR-SNVBAGLBSA-N 1 0 332.385 2.152 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180544713 464333547 /nfs/dbraw/zinc/33/35/47/464333547.db2.gz YHBQKGXSBORSDR-VXGBXAGGSA-N 1 0 349.435 2.058 20 5 EEBDRO Cc1c(C(=O)NC2(C[NH+](C)C)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281103577 464333650 /nfs/dbraw/zinc/33/36/50/464333650.db2.gz QHOLHFQGFGUCPY-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO C[N@H+](CCCNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180606916 464347942 /nfs/dbraw/zinc/34/79/42/464347942.db2.gz KWWUOESFCZEWQZ-UHFFFAOYSA-N 1 0 342.399 2.429 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174196927 464376424 /nfs/dbraw/zinc/37/64/24/464376424.db2.gz NOQYWHYRSHTZLU-MRXNPFEDSA-N 1 0 346.431 2.265 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264594335 464386628 /nfs/dbraw/zinc/38/66/28/464386628.db2.gz WSJLGEBRHKOJTG-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO [NH3+]CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000237833887 464386820 /nfs/dbraw/zinc/38/68/20/464386820.db2.gz VPRAAZLBYMLVGP-UHFFFAOYSA-N 1 0 349.434 2.352 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264616049 464395209 /nfs/dbraw/zinc/39/52/09/464395209.db2.gz QPRAOMYDQBSEEE-HNNXBMFYSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284985737 464416808 /nfs/dbraw/zinc/41/68/08/464416808.db2.gz GGZXQNYWXIUTAO-GFCCVEGCSA-N 1 0 342.403 2.287 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133535 464490892 /nfs/dbraw/zinc/49/08/92/464490892.db2.gz XKTYFPPSRVWKAA-KGLIPLIRSA-N 1 0 339.342 2.430 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285310684 464520024 /nfs/dbraw/zinc/52/00/24/464520024.db2.gz MUNNFHKBPBQJHW-NSHDSACASA-N 1 0 343.374 2.150 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294522732 464525744 /nfs/dbraw/zinc/52/57/44/464525744.db2.gz IFWWPCBMZVOWTF-CYBMUJFWSA-N 1 0 335.404 2.404 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000285358216 464536670 /nfs/dbraw/zinc/53/66/70/464536670.db2.gz BKQHLJVTTWTFPY-OAHLLOKOSA-N 1 0 332.404 2.365 20 5 EEBDRO CC(C)(O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000189952053 464569853 /nfs/dbraw/zinc/56/98/53/464569853.db2.gz COVYDCGPBUJTEY-UHFFFAOYSA-N 1 0 341.795 2.422 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272364121 464578923 /nfs/dbraw/zinc/57/89/23/464578923.db2.gz ZPLQMKVCCPQJBH-QWRGUYRKSA-N 1 0 341.795 2.213 20 5 EEBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265505635 464583436 /nfs/dbraw/zinc/58/34/36/464583436.db2.gz JDLFFHWVLGUAFM-UHFFFAOYSA-N 1 0 327.816 2.083 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285496259 464584539 /nfs/dbraw/zinc/58/45/39/464584539.db2.gz XEKNZPKIOPAFLZ-WMLDXEAASA-N 1 0 346.387 2.285 20 5 EEBDRO CCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265515009 464588255 /nfs/dbraw/zinc/58/82/55/464588255.db2.gz BIYUQASVKAYWBM-UHFFFAOYSA-N 1 0 325.796 2.345 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294769413 464600212 /nfs/dbraw/zinc/60/02/12/464600212.db2.gz ABIUXLCUSHAJAR-NSHDSACASA-N 1 0 339.367 2.299 20 5 EEBDRO CCOc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285630907 464635905 /nfs/dbraw/zinc/63/59/05/464635905.db2.gz CVDNTABRUQYJBQ-GDBMZVCRSA-N 1 0 349.431 2.289 20 5 EEBDRO Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597014778 468417260 /nfs/dbraw/zinc/41/72/60/468417260.db2.gz RWNRFYWHOONOCA-ZDUSSCGKSA-N 1 0 342.403 2.287 20 5 EEBDRO COCC[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274845721 464757265 /nfs/dbraw/zinc/75/72/65/464757265.db2.gz PUOISIFYZHMOKH-CYBMUJFWSA-N 1 0 347.419 2.408 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000286020424 464778012 /nfs/dbraw/zinc/77/80/12/464778012.db2.gz HKEVPBLQVMOVCQ-BXUZGUMPSA-N 1 0 339.367 2.203 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000286075665 464794651 /nfs/dbraw/zinc/79/46/51/464794651.db2.gz LGWIOEWPFWEEKZ-LBPRGKRZSA-N 1 0 348.403 2.338 20 5 EEBDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000282377363 464794833 /nfs/dbraw/zinc/79/48/33/464794833.db2.gz FRIISIUTGCKAQI-UHFFFAOYSA-N 1 0 339.392 2.073 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000248876288 464813806 /nfs/dbraw/zinc/81/38/06/464813806.db2.gz QUWICSMAZFSXCI-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177042790 464913965 /nfs/dbraw/zinc/91/39/65/464913965.db2.gz INTQHNFRXAIWOM-STQMWFEESA-N 1 0 332.404 2.138 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000192605695 464956522 /nfs/dbraw/zinc/95/65/22/464956522.db2.gz DNAQKSQTFCVGRJ-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000286607280 464975430 /nfs/dbraw/zinc/97/54/30/464975430.db2.gz YFNODJNCYRCHMI-LBPRGKRZSA-N 1 0 341.358 2.027 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940533 465018139 /nfs/dbraw/zinc/01/81/39/465018139.db2.gz IDDMRMSVKKJZTR-DLBZAZTESA-N 1 0 347.415 2.199 20 5 EEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000337465185 465385083 /nfs/dbraw/zinc/38/50/83/465385083.db2.gz SXRIQZXHEXKPDV-XWCIJXRUSA-N 1 0 349.387 2.053 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC000600000252 468432911 /nfs/dbraw/zinc/43/29/11/468432911.db2.gz URDBTZSTIQZIBP-ITGUQSILSA-N 1 0 343.305 2.246 20 5 EEBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339671139 465432650 /nfs/dbraw/zinc/43/26/50/465432650.db2.gz KZDMIECPBQJVPX-CHWSQXEVSA-N 1 0 335.429 2.430 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356980239 465675857 /nfs/dbraw/zinc/67/58/57/465675857.db2.gz OTWVWEMDIPWESO-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000299325274 465698700 /nfs/dbraw/zinc/69/87/00/465698700.db2.gz ANEIEEFUTGENRR-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000353229371 465730984 /nfs/dbraw/zinc/73/09/84/465730984.db2.gz WSZULRHGHZKUGI-UHFFFAOYSA-N 1 0 334.372 2.426 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCSC1 ZINC000299501953 465777950 /nfs/dbraw/zinc/77/79/50/465777950.db2.gz BRFWTYXZXZTAMG-GFCCVEGCSA-N 1 0 339.417 2.369 20 5 EEBDRO CNc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125158 465783292 /nfs/dbraw/zinc/78/32/92/465783292.db2.gz VRJSZRYDBODQPS-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338056456 465785708 /nfs/dbraw/zinc/78/57/08/465785708.db2.gz HLRJNPJDXRKSGA-CQSZACIVSA-N 1 0 332.404 2.015 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000349200163 466017964 /nfs/dbraw/zinc/01/79/64/466017964.db2.gz GVEZXZFGGONAMT-ZIAGYGMSSA-N 1 0 337.420 2.365 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000362820908 466052748 /nfs/dbraw/zinc/05/27/48/466052748.db2.gz SHBKTPYYBJWTJY-KGLIPLIRSA-N 1 0 334.420 2.019 20 5 EEBDRO CCOC(=O)C1CCC([N@H+](CC)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000338375241 466071605 /nfs/dbraw/zinc/07/16/05/466071605.db2.gz GZCIBBXAFWXLQC-UHFFFAOYSA-N 1 0 338.408 2.235 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC000349720927 466204649 /nfs/dbraw/zinc/20/46/49/466204649.db2.gz LDHRBSBMSGLLHM-OLZOCXBDSA-N 1 0 344.419 2.309 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000331774289 466240607 /nfs/dbraw/zinc/24/06/07/466240607.db2.gz GGXGEYTZYWETBJ-GFCCVEGCSA-N 1 0 335.408 2.142 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000340844222 466378161 /nfs/dbraw/zinc/37/81/61/466378161.db2.gz IVHJXBNWCJHQAZ-OAHLLOKOSA-N 1 0 349.431 2.295 20 5 EEBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000350272646 466445203 /nfs/dbraw/zinc/44/52/03/466445203.db2.gz YSBTZPRIRIQDBJ-UHFFFAOYSA-N 1 0 325.368 2.479 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305767985 466456124 /nfs/dbraw/zinc/45/61/24/466456124.db2.gz IJWOGMOXZRCLTE-LBPRGKRZSA-N 1 0 349.309 2.087 20 5 EEBDRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305786447 466463601 /nfs/dbraw/zinc/46/36/01/466463601.db2.gz BCTLVVMEWNKJCU-XKQJLSEDSA-N 1 0 347.415 2.183 20 5 EEBDRO CNC(=O)CN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000597250205 468495823 /nfs/dbraw/zinc/49/58/23/468495823.db2.gz RSZKCRUDQLSZFM-UHFFFAOYSA-N 1 0 333.344 2.041 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332356053 466525302 /nfs/dbraw/zinc/52/53/02/466525302.db2.gz ZMTMEKAXXAHROH-UKRRQHHQSA-N 1 0 346.431 2.408 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000347313703 466557779 /nfs/dbraw/zinc/55/77/79/466557779.db2.gz IVQFMUYUIWEURN-NTCAYCPXSA-N 1 0 333.432 2.387 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000347358678 466588352 /nfs/dbraw/zinc/58/83/52/466588352.db2.gz LIXKJXNQKAIJRB-DZGCQCFKSA-N 1 0 346.431 2.394 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000415437777 466679709 /nfs/dbraw/zinc/67/97/09/466679709.db2.gz LCPPGMQUYLEYEY-UHFFFAOYSA-N 1 0 332.282 2.441 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000373270999 466749037 /nfs/dbraw/zinc/74/90/37/466749037.db2.gz CARGCOOMGXEULQ-INIZCTEOSA-N 1 0 330.388 2.032 20 5 EEBDRO Cc1c(CC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000423518506 466763986 /nfs/dbraw/zinc/76/39/86/466763986.db2.gz UXWPZGGMONWHJP-AWEZNQCLSA-N 1 0 340.383 2.295 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406656 466809460 /nfs/dbraw/zinc/80/94/60/466809460.db2.gz XCPSUZLWEHCTFE-PBHICJAKSA-N 1 0 346.431 2.116 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000411716278 466884862 /nfs/dbraw/zinc/88/48/62/466884862.db2.gz FSQNRLKGKRHOQL-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417731096 466919703 /nfs/dbraw/zinc/91/97/03/466919703.db2.gz RHIXOVWNQSLUBG-HUUCEWRRSA-N 1 0 334.420 2.344 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373790946 466921160 /nfs/dbraw/zinc/92/11/60/466921160.db2.gz PTFOSCTVYTYBCO-UONOGXRCSA-N 1 0 333.388 2.025 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424013279 466951900 /nfs/dbraw/zinc/95/19/00/466951900.db2.gz KKHJYBBGIVCUFV-AAEUAGOBSA-N 1 0 332.404 2.226 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000424042471 466961997 /nfs/dbraw/zinc/96/19/97/466961997.db2.gz LDXRSOAPBMETGI-UHFFFAOYSA-N 1 0 329.400 2.478 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000424048027 466963472 /nfs/dbraw/zinc/96/34/72/466963472.db2.gz WRWGGTJUKYIBKU-UHFFFAOYSA-N 1 0 329.400 2.478 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417989949 467013328 /nfs/dbraw/zinc/01/33/28/467013328.db2.gz UDNFCXOYHYTHDB-TUKIKUTGSA-N 1 0 332.404 2.343 20 5 EEBDRO C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000418341224 467094937 /nfs/dbraw/zinc/09/49/37/467094937.db2.gz LYEWGYBDOLYAHM-HIFRSBDPSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413141663 467177865 /nfs/dbraw/zinc/17/78/65/467177865.db2.gz TYCBYGWGSRDKIV-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413182537 467185655 /nfs/dbraw/zinc/18/56/55/467185655.db2.gz XYIWSXRGLLJTRH-UHFFFAOYSA-N 1 0 336.314 2.389 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413449395 467244543 /nfs/dbraw/zinc/24/45/43/467244543.db2.gz XLCUNUAWCCGYKY-JTQLQIEISA-N 1 0 347.462 2.204 20 5 EEBDRO CCO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000451536769 467259201 /nfs/dbraw/zinc/25/92/01/467259201.db2.gz IABHAAXUZICKDP-KBRIMQKVSA-N 1 0 347.415 2.447 20 5 EEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000428960561 467284128 /nfs/dbraw/zinc/28/41/28/467284128.db2.gz CISYCPYTTWNCKR-PWSUYJOCSA-N 1 0 325.796 2.295 20 5 EEBDRO Cc1noc(C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc2)n1 ZINC000429536832 467343088 /nfs/dbraw/zinc/34/30/88/467343088.db2.gz PJGXBTVROMFLGO-CQSZACIVSA-N 1 0 342.359 2.056 20 5 EEBDRO Cc1c(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000392509895 467426978 /nfs/dbraw/zinc/42/69/78/467426978.db2.gz SKWDRUFDPIKECP-KRWDZBQOSA-N 1 0 325.368 2.406 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N2CCOCC2)CC1 ZINC000434782718 467428554 /nfs/dbraw/zinc/42/85/54/467428554.db2.gz HLXHHMORBAIZNW-PTNGSMBKSA-N 1 0 331.416 2.453 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430574994 467444560 /nfs/dbraw/zinc/44/45/60/467444560.db2.gz UIOYGDCLKOZNDD-AAEUAGOBSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370248 467462955 /nfs/dbraw/zinc/46/29/55/467462955.db2.gz IFGJZFDBSDIFFP-NXEZZACHSA-N 1 0 345.346 2.374 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405348365 467480694 /nfs/dbraw/zinc/48/06/94/467480694.db2.gz MIPRATWLZANYRL-YPMHNXCESA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000408209098 467528351 /nfs/dbraw/zinc/52/83/51/467528351.db2.gz QSEBAZMNVMGOSE-UPJWGTAASA-N 1 0 347.419 2.049 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000449646424 467675307 /nfs/dbraw/zinc/67/53/07/467675307.db2.gz NUAVCXDHDNQACH-QWHCGFSZSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496749675 467709446 /nfs/dbraw/zinc/70/94/46/467709446.db2.gz UKKQCEFWPIXKFU-RISCZKNCSA-N 1 0 339.392 2.131 20 5 EEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000494227705 468038057 /nfs/dbraw/zinc/03/80/57/468038057.db2.gz QHHYSWWNEATKSY-BDJLRTHQSA-N 1 0 335.360 2.050 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000531569455 468061774 /nfs/dbraw/zinc/06/17/74/468061774.db2.gz UFSPMVKZNJBHFI-UKRRQHHQSA-N 1 0 342.399 2.326 20 5 EEBDRO CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000488035144 468067447 /nfs/dbraw/zinc/06/74/47/468067447.db2.gz WBXZGEIWXKDATL-CJNGLKHVSA-N 1 0 334.420 2.194 20 5 EEBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000488035150 468067915 /nfs/dbraw/zinc/06/79/15/468067915.db2.gz WBXZGEIWXKDATL-CZUORRHYSA-N 1 0 334.420 2.194 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc4ccccn34)CC2)n1 ZINC000488725687 468099175 /nfs/dbraw/zinc/09/91/75/468099175.db2.gz CBOYCWVYTBOZJO-UHFFFAOYSA-N 1 0 326.360 2.276 20 5 EEBDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000567688261 468183783 /nfs/dbraw/zinc/18/37/83/468183783.db2.gz MGBVCSRGJSNNRJ-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000490053524 468191239 /nfs/dbraw/zinc/19/12/39/468191239.db2.gz LKXOKJKZXTVWGP-RDBSUJKOSA-N 1 0 333.388 2.140 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(F)ccc1F ZINC000591734528 468511898 /nfs/dbraw/zinc/51/18/98/468511898.db2.gz KYPICFHALRQQGO-CYBMUJFWSA-N 1 0 338.310 2.403 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594212099 468514408 /nfs/dbraw/zinc/51/44/08/468514408.db2.gz SLPRQSBTQPRKHW-CVEARBPZSA-N 1 0 332.404 2.411 20 5 EEBDRO O=C(CC[NH2+][C@H](CO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000569906668 468561248 /nfs/dbraw/zinc/56/12/48/468561248.db2.gz AUZXFQZULDGFNJ-MRXNPFEDSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597696067 468641603 /nfs/dbraw/zinc/64/16/03/468641603.db2.gz BDNJMMKFAQLAOX-BZNIZROVSA-N 1 0 343.387 2.150 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592254892 468665526 /nfs/dbraw/zinc/66/55/26/468665526.db2.gz LAINGEOVYFWBSZ-KBPBESRZSA-N 1 0 347.415 2.455 20 5 EEBDRO O=c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000592356743 468682167 /nfs/dbraw/zinc/68/21/67/468682167.db2.gz HNUKEPPCOMGRHP-LBPRGKRZSA-N 1 0 327.300 2.323 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961902 468731871 /nfs/dbraw/zinc/73/18/71/468731871.db2.gz PAGJSYFJEPQWLS-GIYNXVAASA-N 1 0 326.418 2.383 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000571054490 468733358 /nfs/dbraw/zinc/73/33/58/468733358.db2.gz XJHOWGSCLTZMDI-KGLIPLIRSA-N 1 0 346.353 2.034 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+]1CCCO ZINC000595041353 468747914 /nfs/dbraw/zinc/74/79/14/468747914.db2.gz KLFFUSKTASNWMX-UKRRQHHQSA-N 1 0 337.420 2.101 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000595046694 468748444 /nfs/dbraw/zinc/74/84/44/468748444.db2.gz NBDHJDIVGVUPKG-NEPJUHHUSA-N 1 0 333.388 2.265 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598261449 468810002 /nfs/dbraw/zinc/81/00/02/468810002.db2.gz FOTRALRJULNTSX-CQSZACIVSA-N 1 0 334.420 2.243 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000595354967 468823659 /nfs/dbraw/zinc/82/36/59/468823659.db2.gz PWJQNBWSCNUERQ-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H](CO)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000593084054 468864433 /nfs/dbraw/zinc/86/44/33/468864433.db2.gz PLAZERBRSUZJEY-ZDUSSCGKSA-N 1 0 335.404 2.264 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000601427563 468868695 /nfs/dbraw/zinc/86/86/95/468868695.db2.gz DIBYCMZZUXCKQY-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561297 468913487 /nfs/dbraw/zinc/91/34/87/468913487.db2.gz PMFCMQUUSXNIJL-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000601551288 468915298 /nfs/dbraw/zinc/91/52/98/468915298.db2.gz GNSMQZIZQIVRON-CYBMUJFWSA-N 1 0 341.367 2.138 20 5 EEBDRO COC(=O)c1ccnc(NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000598602426 468929369 /nfs/dbraw/zinc/92/93/69/468929369.db2.gz NVBWGVKGQJAXIQ-UHFFFAOYSA-N 1 0 338.408 2.697 20 5 EEBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595671135 468947548 /nfs/dbraw/zinc/94/75/48/468947548.db2.gz NRXPWXNFBJYZQQ-WBMJQRKESA-N 1 0 336.388 2.444 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679055 468951251 /nfs/dbraw/zinc/95/12/51/468951251.db2.gz UQZUIOUYHQJMBZ-DZGCQCFKSA-N 1 0 338.404 2.465 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716580 468971922 /nfs/dbraw/zinc/97/19/22/468971922.db2.gz NZBZRHBBWSNCBU-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cn1 ZINC000602681068 469007534 /nfs/dbraw/zinc/00/75/34/469007534.db2.gz JDUGYDJDTRBQPT-AWEZNQCLSA-N 1 0 334.420 2.365 20 5 EEBDRO CC[C@@]1(CO)CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614662885 469009507 /nfs/dbraw/zinc/00/95/07/469009507.db2.gz QNVTUWGFSCECIN-QGZVFWFLSA-N 1 0 336.388 2.351 20 5 EEBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(C)C ZINC000602689471 469013810 /nfs/dbraw/zinc/01/38/10/469013810.db2.gz HVJUEKBHDUYNJA-NVXWUHKLSA-N 1 0 336.436 2.344 20 5 EEBDRO COC[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000610635759 469022760 /nfs/dbraw/zinc/02/27/60/469022760.db2.gz WKKUGUPVLZXQBQ-CYBMUJFWSA-N 1 0 330.344 2.032 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595832493 469031818 /nfs/dbraw/zinc/03/18/18/469031818.db2.gz RQTGEIMMBAGAFF-CYBMUJFWSA-N 1 0 333.388 2.048 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599156410 469141052 /nfs/dbraw/zinc/14/10/52/469141052.db2.gz BPTCLXXJPIRLSS-AWEZNQCLSA-N 1 0 334.420 2.468 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086384 469148175 /nfs/dbraw/zinc/14/81/75/469148175.db2.gz YKVJWFLVINDPEX-FRRDWIJNSA-N 1 0 334.420 2.472 20 5 EEBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596087190 469149544 /nfs/dbraw/zinc/14/95/44/469149544.db2.gz GFSXFCQXMTXAAD-ZDUSSCGKSA-N 1 0 332.404 2.382 20 5 EEBDRO NC(=O)c1cc(N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596096791 469153522 /nfs/dbraw/zinc/15/35/22/469153522.db2.gz AWGDNGZAMKJKBG-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611092471 469160561 /nfs/dbraw/zinc/16/05/61/469160561.db2.gz VDSCBXMEXKUEHL-GXTWGEPZSA-N 1 0 334.420 2.256 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611155690 469175534 /nfs/dbraw/zinc/17/55/34/469175534.db2.gz LOXGYOWKLMKOSJ-QGZVFWFLSA-N 1 0 346.431 2.407 20 5 EEBDRO CCC(CC)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000573676701 469183639 /nfs/dbraw/zinc/18/36/39/469183639.db2.gz JUBNEERXIRJECH-UHFFFAOYSA-N 1 0 344.433 2.163 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602955156 469188235 /nfs/dbraw/zinc/18/82/35/469188235.db2.gz YGRTWTBWMHHROC-STQMWFEESA-N 1 0 335.408 2.057 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337370 469246279 /nfs/dbraw/zinc/24/62/79/469246279.db2.gz VVURQZIICLASQY-LLVKDONJSA-N 1 0 336.392 2.370 20 5 EEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[NH+](C)C ZINC000596430160 469263316 /nfs/dbraw/zinc/26/33/16/469263316.db2.gz JSEOKZQHYOKELM-LBPRGKRZSA-N 1 0 340.399 2.323 20 5 EEBDRO O=[N+]([O-])c1ncccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000611617952 469293840 /nfs/dbraw/zinc/29/38/40/469293840.db2.gz DQTWFUARKSUQSI-HNNXBMFYSA-N 1 0 328.372 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCC[N@H+](CC4CC4)C3)c2c1 ZINC000596571534 469303947 /nfs/dbraw/zinc/30/39/47/469303947.db2.gz VBJQNLAFQVPULO-AWEZNQCLSA-N 1 0 341.415 3.072 20 5 EEBDRO O=C(Cc1cccc2c1CC[NH2+]C2)NCCc1ccccc1[N+](=O)[O-] ZINC000602458482 469324310 /nfs/dbraw/zinc/32/43/10/469324310.db2.gz MFGGCJAGPSLWKX-UHFFFAOYSA-N 1 0 339.395 2.142 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599671591 469333622 /nfs/dbraw/zinc/33/36/22/469333622.db2.gz ICBXXAPXSGOGKB-COPLHBTASA-N 1 0 332.360 2.409 20 5 EEBDRO CC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000602509134 469343367 /nfs/dbraw/zinc/34/33/67/469343367.db2.gz OLNSLSMOIVNJCW-INIZCTEOSA-N 1 0 347.463 2.423 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602515493 469345870 /nfs/dbraw/zinc/34/58/70/469345870.db2.gz WTYLNODFUXQOHD-HTQZYQBOSA-N 1 0 330.182 2.213 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)nc2c1 ZINC000602535359 469353716 /nfs/dbraw/zinc/35/37/16/469353716.db2.gz ZFOQXAVEWPXYLE-SECBINFHSA-N 1 0 344.293 2.462 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(F)cc1 ZINC000612027085 469368180 /nfs/dbraw/zinc/36/81/80/469368180.db2.gz PJLAGRUVEXUUPU-HNNXBMFYSA-N 1 0 334.347 2.306 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(CC3CC3)C2)n1 ZINC000618567969 469391941 /nfs/dbraw/zinc/39/19/41/469391941.db2.gz ARAIZDRZJMVHNF-HRCADAONSA-N 1 0 333.436 2.349 20 5 EEBDRO Cc1c(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000616209980 469398409 /nfs/dbraw/zinc/39/84/09/469398409.db2.gz ZDZUBYXCTJAJCC-AWEZNQCLSA-N 1 0 334.420 2.433 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CCO)C3CCOCC3)nc2c1 ZINC000613130269 469635841 /nfs/dbraw/zinc/63/58/41/469635841.db2.gz MQSWIKGEIMNNRV-ZDUSSCGKSA-N 1 0 335.360 2.003 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609561449 469940622 /nfs/dbraw/zinc/94/06/22/469940622.db2.gz CLHZVJOANYNWAY-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369682 470008178 /nfs/dbraw/zinc/00/81/78/470008178.db2.gz WBJMTHOEPFXNDK-WBVHZDCISA-N 1 0 330.388 2.162 20 5 EEBDRO CC(C)c1cccc2c1CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000191894993 528188631 /nfs/dbraw/zinc/18/86/31/528188631.db2.gz KPWDRGJTPGXZKS-INIZCTEOSA-N 1 0 344.415 2.334 20 5 EEBDRO CCCC[NH+]1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190168599 528464458 /nfs/dbraw/zinc/46/44/58/528464458.db2.gz QLJAHECBZDPHNI-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171505027 535342409 /nfs/dbraw/zinc/34/24/09/535342409.db2.gz YGCLVAFUKYACFY-LLVKDONJSA-N 1 0 347.824 2.011 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732007242 577142152 /nfs/dbraw/zinc/14/21/52/577142152.db2.gz NZPXLQYOKXCWKU-UHFFFAOYSA-N 1 0 346.387 2.150 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccn2)cc1[N+](=O)[O-] ZINC000775550284 577439334 /nfs/dbraw/zinc/43/93/34/577439334.db2.gz YEOWGUJHJVVJOZ-ZDUSSCGKSA-N 1 0 328.372 2.265 20 5 EEBDRO COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581695 577463110 /nfs/dbraw/zinc/46/31/10/577463110.db2.gz HRICODFSXJRFKT-MSOLQXFVSA-N 1 0 346.383 2.302 20 5 EEBDRO COc1ccc([C@H](CCO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606365 577464177 /nfs/dbraw/zinc/46/41/77/577464177.db2.gz VTZGTVBUQCOKPD-ROUUACIJSA-N 1 0 346.383 2.350 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761080515 577675992 /nfs/dbraw/zinc/67/59/92/577675992.db2.gz JNQYAPYCFHUUGS-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO CCOc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)ccc1[N+](=O)[O-] ZINC000755069977 577819052 /nfs/dbraw/zinc/81/90/52/577819052.db2.gz ACOKADKTAVDXHF-UHFFFAOYSA-N 1 0 335.360 2.068 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1ccco1 ZINC000825848266 607448905 /nfs/dbraw/zinc/44/89/05/607448905.db2.gz BDBLSJGHXBKMBN-ZDUSSCGKSA-N 1 0 343.347 2.083 20 5 EEBDRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000833773243 605227910 /nfs/dbraw/zinc/22/79/10/605227910.db2.gz KFNLRYRAGAYVBI-UHFFFAOYSA-N 1 0 335.404 2.056 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC(F)(F)C1 ZINC001021948244 676556993 /nfs/dbraw/zinc/55/69/93/676556993.db2.gz MPRVTHZGPHOYKT-PHIMTYICSA-N 1 0 345.371 2.438 20 5 EEBDRO CCc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001021996116 676574584 /nfs/dbraw/zinc/57/45/84/676574584.db2.gz XRDJQIBUNUIXRD-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC001022446618 677714644 /nfs/dbraw/zinc/71/46/44/677714644.db2.gz SBPNSLOPZPEVPX-BETUJISGSA-N 1 0 332.335 2.113 20 5 EEBDRO CCn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000892079019 677978438 /nfs/dbraw/zinc/97/84/38/677978438.db2.gz WIBRWKHIZMUTLI-AWEZNQCLSA-N 1 0 330.392 2.201 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161516 681251377 /nfs/dbraw/zinc/25/13/77/681251377.db2.gz MQVYDPNWZPMFRM-SNVBAGLBSA-N 1 0 345.197 2.462 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC000983166743 681935307 /nfs/dbraw/zinc/93/53/07/681935307.db2.gz JJHDSFYIGBOJKJ-CTYIDZIISA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000984943754 685566618 /nfs/dbraw/zinc/56/66/18/685566618.db2.gz FDPDNNMMWTYXSF-SHTZXODSSA-N 1 0 343.383 2.415 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CCCC1 ZINC001025646231 683206695 /nfs/dbraw/zinc/20/66/95/683206695.db2.gz NSUPUSZHDCSRFB-FVQHAEBGSA-N 1 0 329.400 2.331 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC001019932875 683494363 /nfs/dbraw/zinc/49/43/63/683494363.db2.gz OJPJZGWJCBTZJV-SHTZXODSSA-N 1 0 326.356 2.040 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)n1 ZINC000893012017 683553338 /nfs/dbraw/zinc/55/33/38/683553338.db2.gz FPEBFHVRFLKCII-STQMWFEESA-N 1 0 337.424 2.146 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000895280338 684433817 /nfs/dbraw/zinc/43/38/17/684433817.db2.gz RMGXSJJMVBXSDR-CYBMUJFWSA-N 1 0 326.356 2.341 20 5 EEBDRO O=C(CC[N@@H+](CCCCO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128703565 694060029 /nfs/dbraw/zinc/06/00/29/694060029.db2.gz HMZAMEATJKDNGV-UHFFFAOYSA-N 1 0 339.367 2.299 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893447503 687592407 /nfs/dbraw/zinc/59/24/07/687592407.db2.gz GTGRZRMRRVVKBQ-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000991057401 694515431 /nfs/dbraw/zinc/51/54/31/694515431.db2.gz XGKNNCZCLQWRRE-UHFFFAOYSA-N 1 0 348.428 2.389 20 5 EEBDRO CC(F)(F)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989848099 692384785 /nfs/dbraw/zinc/38/47/85/692384785.db2.gz MZVAKPFCUKBJGH-UHFFFAOYSA-N 1 0 327.331 2.331 20 5 EEBDRO Cc1cc(N(C)CCN(C)C(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001105484336 1188101514 /nfs/dbraw/zinc/10/15/14/1188101514.db2.gz HCDANHLCRBVISL-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000905601553 1189788541 /nfs/dbraw/zinc/78/85/41/1189788541.db2.gz JPQHLIZKQXEUAY-NVXWUHKLSA-N 1 0 343.383 2.397 20 5 EEBDRO Cc1ncccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905699662 1189870360 /nfs/dbraw/zinc/87/03/60/1189870360.db2.gz MLQNTNIRWPXLHR-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000905698502 1189893064 /nfs/dbraw/zinc/89/30/64/1189893064.db2.gz VACXVODEGILGRK-ZDUSSCGKSA-N 1 0 344.371 2.111 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001005381500 1195313950 /nfs/dbraw/zinc/31/39/50/1195313950.db2.gz MCGLOLKOKXBRKX-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO COC(=O)[C@@]1(C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000872632582 1198292319 /nfs/dbraw/zinc/29/23/19/1198292319.db2.gz AFWWIDCWIMRLTL-ZBEGNZNMSA-N 1 0 332.360 2.033 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000810843457 1199776563 /nfs/dbraw/zinc/77/65/63/1199776563.db2.gz FWGRLBDONSDWES-WCQYABFASA-N 1 0 348.355 2.150 20 5 EEBDRO Cc1cccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000877347451 1199910340 /nfs/dbraw/zinc/91/03/40/1199910340.db2.gz XZRIVTWEACPTKD-HNNXBMFYSA-N 1 0 325.368 2.348 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(CO)(CO)CC3)o2)c1 ZINC000877797464 1200114316 /nfs/dbraw/zinc/11/43/16/1200114316.db2.gz JQAFJBIMRHPHGG-UHFFFAOYSA-N 1 0 346.383 2.422 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000880247618 1201434786 /nfs/dbraw/zinc/43/47/86/1201434786.db2.gz JPFZQEXEOKAUKB-OAHLLOKOSA-N 1 0 329.404 2.170 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000881468578 1201704837 /nfs/dbraw/zinc/70/48/37/1201704837.db2.gz DUCASLGLULFADK-MRXNPFEDSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1cccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867942676 1201710771 /nfs/dbraw/zinc/71/07/71/1201710771.db2.gz UPBMAHOZZPKZMO-SFHVURJKSA-N 1 0 327.384 2.436 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000883187388 1202028333 /nfs/dbraw/zinc/02/83/33/1202028333.db2.gz MYEAENOQLXHOLA-CYBMUJFWSA-N 1 0 326.393 2.499 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](O)[C@@H](O)C3)s2)cc1 ZINC000886242979 1202483955 /nfs/dbraw/zinc/48/39/55/1202483955.db2.gz KUZYURRTJSEYHX-UWEBFBLFSA-N 1 0 334.397 2.297 20 5 EEBDRO COc1ccc([C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000886309126 1202490681 /nfs/dbraw/zinc/49/06/81/1202490681.db2.gz UOLAYHTWTQVABU-MRXNPFEDSA-N 1 0 328.372 2.145 20 5 EEBDRO Cc1cc(N2CCC(CNC(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095378402 1204516058 /nfs/dbraw/zinc/51/60/58/1204516058.db2.gz YMJPNROPYNZPMD-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])c3nonc32)C[C@@H](C)O1 ZINC000011381012 1205753325 /nfs/dbraw/zinc/75/33/25/1205753325.db2.gz PLZBDGIGKWEENW-GHMZBOCLSA-N 1 0 349.391 2.431 20 5 EEBDRO C[NH+](C)CCCNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777921663 1206568671 /nfs/dbraw/zinc/56/86/71/1206568671.db2.gz BSBWMTFYEDLINP-UHFFFAOYSA-N 1 0 344.868 2.207 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955004 1206607120 /nfs/dbraw/zinc/60/71/20/1206607120.db2.gz HRBZCQANHJDZHP-KRWDZBQOSA-N 1 0 329.404 2.442 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000931197351 1206614435 /nfs/dbraw/zinc/61/44/35/1206614435.db2.gz FGUCWSPMGUTQCO-LSDHHAIUSA-N 1 0 343.387 2.095 20 5 EEBDRO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000932440565 1207606621 /nfs/dbraw/zinc/60/66/21/1207606621.db2.gz PXCNPEFSKLYQMD-OAHLLOKOSA-N 1 0 335.404 2.353 20 5 EEBDRO CCN(CCCNC(=O)CC[N@H+](C)CC)c1ccccc1[N+](=O)[O-] ZINC001095911585 1213911843 /nfs/dbraw/zinc/91/18/43/1213911843.db2.gz DMYHYLXPCKBDOK-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000795922127 1215170416 /nfs/dbraw/zinc/17/04/16/1215170416.db2.gz LSBUIACFHMXSNT-UHFFFAOYSA-N 1 0 336.388 2.497 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cn1 ZINC001020092098 1229479686 /nfs/dbraw/zinc/47/96/86/1229479686.db2.gz PIECEKNQZBEEKQ-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000801874066 1236336328 /nfs/dbraw/zinc/33/63/28/1236336328.db2.gz HJZVDBRXDTVINO-UHFFFAOYSA-N 1 0 332.356 2.195 20 5 EEBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435809 1237595828 /nfs/dbraw/zinc/59/58/28/1237595828.db2.gz VDKKPARJHBICMO-XLMAVXFVSA-N 1 0 341.415 2.489 20 5 EEBDRO O=C(/C=C/C1CC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048746667 1238502982 /nfs/dbraw/zinc/50/29/82/1238502982.db2.gz XEGZSWFWXLKALM-CZIQXLRQSA-N 1 0 341.411 2.451 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001048814453 1238718278 /nfs/dbraw/zinc/71/82/78/1238718278.db2.gz LZHQYPLVXBRONE-YYIAUSFCSA-N 1 0 335.448 2.012 20 5 EEBDRO C[NH+](C)C1(C(=O)N2CCCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001057188376 1242320719 /nfs/dbraw/zinc/32/07/19/1242320719.db2.gz IWBQKDXXSMLFPO-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097203446 1243818544 /nfs/dbraw/zinc/81/85/44/1243818544.db2.gz KOJPCQHOKRWCLN-GASCZTMLSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001097205366 1243821725 /nfs/dbraw/zinc/82/17/25/1243821725.db2.gz QAHXGKYVLDEHLR-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO C[NH+](C)C1(C(=O)NCCN(c2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001101398876 1245765835 /nfs/dbraw/zinc/76/58/35/1245765835.db2.gz YYZJYDSWFWMPIT-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCCN(c2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001101437423 1245822534 /nfs/dbraw/zinc/82/25/34/1245822534.db2.gz VAPDKTLEACWSEB-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104149106 1284917517 /nfs/dbraw/zinc/91/75/17/1284917517.db2.gz OZVDWTNYIYKOKN-ZDUSSCGKSA-N 1 0 334.420 2.336 20 5 EEBDRO COc1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853460271 1292389533 /nfs/dbraw/zinc/38/95/33/1292389533.db2.gz FAOIAWPWUFKXDT-UKRRQHHQSA-N 1 0 325.434 2.394 20 5 EEBDRO CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112200261 1292753127 /nfs/dbraw/zinc/75/31/27/1292753127.db2.gz NFHSYKCDSGOINV-KRWDZBQOSA-N 1 0 346.387 2.051 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000855161307 1293094403 /nfs/dbraw/zinc/09/44/03/1293094403.db2.gz NVGCAJGJCMSSQX-SNVBAGLBSA-N 1 0 338.383 2.166 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000859005498 1294290520 /nfs/dbraw/zinc/29/05/20/1294290520.db2.gz JBZCRBMFXAYHSA-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO O=[N+]([O-])c1c(F)cccc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216518394 1297200498 /nfs/dbraw/zinc/20/04/98/1297200498.db2.gz WQSGHXGJSTXLSV-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc3c(c2)CC[NH2+]C3)n1 ZINC001217177252 1297375866 /nfs/dbraw/zinc/37/58/66/1297375866.db2.gz DQJCNHLDTOGEQF-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO O=c1c2cc(O[C@@H]3CCC[NH2+]C3)c(O)cc2oc2cccc(O)c12 ZINC001218281581 1297621427 /nfs/dbraw/zinc/62/14/27/1297621427.db2.gz 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CC(=O)c1ccc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2c1 ZINC001227760900 1301956357 /nfs/dbraw/zinc/95/63/57/1301956357.db2.gz HPEDLJQTPQXWQD-QGZVFWFLSA-N 1 0 330.404 2.405 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3C)C[C@H]1[N@@H+]2C ZINC001228922213 1302524390 /nfs/dbraw/zinc/52/43/90/1302524390.db2.gz WRBLRYLANGSYSW-MPTYRVRUSA-N 1 0 334.372 2.449 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229371815 1302751164 /nfs/dbraw/zinc/75/11/64/1302751164.db2.gz XWHBOGTZROZZNP-HBYGRHMLSA-N 1 0 344.371 2.353 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCC2(NC(=O)CC[NH+](C)C)CCCC2)n1 ZINC001103455735 1302986037 /nfs/dbraw/zinc/98/60/37/1302986037.db2.gz MGGXQVBJIUIBGF-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001103645440 1303184020 /nfs/dbraw/zinc/18/40/20/1303184020.db2.gz XGPYEVIKQAHFCA-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111814438 1303930576 /nfs/dbraw/zinc/93/05/76/1303930576.db2.gz IUPKVQBAJYMTQT-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234360180 1304897883 /nfs/dbraw/zinc/89/78/83/1304897883.db2.gz NNGDSFZDUAKVNR-OAHLLOKOSA-N 1 0 335.404 2.295 20 5 EEBDRO CCOC(=O)c1c(O)c(CC)c(C)nc1O[C@@H](C)C[N+](C)(C)C ZINC001234459532 1304930525 /nfs/dbraw/zinc/93/05/25/1304930525.db2.gz MJSNTCMNBILPJS-NSHDSACASA-O 1 0 325.429 2.308 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C[NH+](C)C)C(C)C)c1 ZINC000798326327 1304981046 /nfs/dbraw/zinc/98/10/46/1304981046.db2.gz FPJQEECJPCPPDO-CQSZACIVSA-N 1 0 337.420 2.375 20 5 EEBDRO O=C1NCCN(Cc2c3ccccc3cc3ccccc32)C12C[NH2+]C2 ZINC001235072032 1305106409 /nfs/dbraw/zinc/10/64/09/1305106409.db2.gz ZECHJXIDZMWJAF-UHFFFAOYSA-N 1 0 331.419 2.267 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119517541 1309096039 /nfs/dbraw/zinc/09/60/39/1309096039.db2.gz XBJQPYZLNKKTTJ-UHFFFAOYSA-N 1 0 333.432 2.370 20 5 EEBDRO O[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]C1 ZINC001248741148 1310929899 /nfs/dbraw/zinc/92/98/99/1310929899.db2.gz VAQKSNFYSZJVSD-SFHVURJKSA-N 1 0 333.351 2.014 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000830355635 1314534641 /nfs/dbraw/zinc/53/46/41/1314534641.db2.gz LCCIQCCXVIXNBQ-SJORKVTESA-N 1 0 334.347 2.481 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160647 1315492715 /nfs/dbraw/zinc/49/27/15/1315492715.db2.gz DADFPPHAKYLGOE-ZETCQYMHSA-N 1 0 331.170 2.216 20 5 EEBDRO CN(C)C(=O)c1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000841887374 1315630597 /nfs/dbraw/zinc/63/05/97/1315630597.db2.gz LXQPIAQEFMMEEI-UHFFFAOYSA-N 1 0 342.399 2.262 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476387 1315712243 /nfs/dbraw/zinc/71/22/43/1315712243.db2.gz NGOAUSMFKQXHPW-CYBMUJFWSA-N 1 0 340.811 2.164 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000842513665 1315719395 /nfs/dbraw/zinc/71/93/95/1315719395.db2.gz PDCCGTNFHXFELL-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCCc2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000842664611 1315749281 /nfs/dbraw/zinc/74/92/81/1315749281.db2.gz XXVJTWWCFDCUJW-LBPRGKRZSA-N 1 0 331.376 2.490 20 5 EEBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)n1 ZINC000842670182 1315750431 /nfs/dbraw/zinc/75/04/31/1315750431.db2.gz PYKMYEHHTVHDAX-LLVKDONJSA-N 1 0 340.343 2.298 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000843100612 1315841918 /nfs/dbraw/zinc/84/19/18/1315841918.db2.gz DUSMREFALAPCMC-GOPGUHFVSA-N 1 0 334.347 2.479 20 5 EEBDRO COc1cc(Cc2noc([C@H]3CC34CC[NH2+]CC4)n2)ccc1[N+](=O)[O-] ZINC000843192688 1315864031 /nfs/dbraw/zinc/86/40/31/1315864031.db2.gz WYIZJESWDNDQJB-GFCCVEGCSA-N 1 0 344.371 2.434 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843471025 1315919858 /nfs/dbraw/zinc/91/98/58/1315919858.db2.gz KKTYVDWZZISCOR-ZYHUDNBSSA-N 1 0 336.348 2.011 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001155253529 1317523632 /nfs/dbraw/zinc/52/36/32/1317523632.db2.gz BUCXWVJWRHEJSM-MRVPVSSYSA-N 1 0 328.332 2.060 20 5 EEBDRO [NH3+]CC1CN([C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001155375703 1317570787 /nfs/dbraw/zinc/57/07/87/1317570787.db2.gz HMOWPMSIWBCJNI-OAHLLOKOSA-N 1 0 341.415 2.002 20 5 EEBDRO Cc1cnc(-n2c3ccccc3nc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155578300 1317657079 /nfs/dbraw/zinc/65/70/79/1317657079.db2.gz HYUKTDHJMHISPG-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001156471981 1318029173 /nfs/dbraw/zinc/02/91/73/1318029173.db2.gz IPLGJBVPQGVQSS-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001254530797 1318108344 /nfs/dbraw/zinc/10/83/44/1318108344.db2.gz BDVKHUVSJCCYQA-ZFWWWQNUSA-N 1 0 327.388 2.184 20 5 EEBDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589021 1318137281 /nfs/dbraw/zinc/13/72/81/1318137281.db2.gz KXQIWMGDJNFZQA-AEFFLSMTSA-N 1 0 347.459 2.399 20 5 EEBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254594564 1318137325 /nfs/dbraw/zinc/13/73/25/1318137325.db2.gz GCAKLNSOTNGEAJ-INIZCTEOSA-N 1 0 344.415 2.192 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001156831062 1318232897 /nfs/dbraw/zinc/23/28/97/1318232897.db2.gz NGUWHPCAQJWTBM-UHFFFAOYSA-N 1 0 344.762 2.229 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1-n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001157380813 1318590129 /nfs/dbraw/zinc/59/01/29/1318590129.db2.gz KSVQUAPZNQADDB-UHFFFAOYSA-N 1 0 338.371 2.378 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)nc(N(c2cnccn2)C2CC[NH2+]CC2)c1 ZINC001157537307 1318701947 /nfs/dbraw/zinc/70/19/47/1318701947.db2.gz CDDWADYEQADLAD-UHFFFAOYSA-N 1 0 334.767 2.323 20 5 EEBDRO CCc1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157623966 1318754120 /nfs/dbraw/zinc/75/41/20/1318754120.db2.gz NXVVVCJQLOQUOJ-SWLSCSKDSA-N 1 0 325.372 2.022 20 5 EEBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001256667736 1318823768 /nfs/dbraw/zinc/82/37/68/1318823768.db2.gz JLMDYNJZESBVQY-UHFFFAOYSA-N 1 0 335.408 2.092 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001157765128 1318846111 /nfs/dbraw/zinc/84/61/11/1318846111.db2.gz MLPZBPMZSBGBRR-ZDUSSCGKSA-N 1 0 334.763 2.033 20 5 EEBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258018826 1319131495 /nfs/dbraw/zinc/13/14/95/1319131495.db2.gz GRRKINKNZPWBMY-TXEJJXNPSA-N 1 0 332.360 2.297 20 5 EEBDRO COc1ccnc(N(c2cc([N+](=O)[O-])ccn2)C2CC[NH2+]CC2)c1 ZINC001158320968 1319173086 /nfs/dbraw/zinc/17/30/86/1319173086.db2.gz VPCCAOMBIVMNLH-UHFFFAOYSA-N 1 0 329.360 2.284 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160338322 1320138529 /nfs/dbraw/zinc/13/85/29/1320138529.db2.gz WSFRMGKLFJNQNH-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COc1cc2ncnc(Nc3ccc(C[NH3+])nc3)c2cc1[N+](=O)[O-] ZINC001160402416 1320155008 /nfs/dbraw/zinc/15/50/08/1320155008.db2.gz SYZAMNBKLDKVFK-UHFFFAOYSA-N 1 0 326.316 2.144 20 5 EEBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160661169 1320224900 /nfs/dbraw/zinc/22/49/00/1320224900.db2.gz FJUOMZKMKLLGOD-GFCCVEGCSA-N 1 0 345.359 2.499 20 5 EEBDRO COc1cc(C)nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738528 1320254456 /nfs/dbraw/zinc/25/44/56/1320254456.db2.gz KLFIRACGCDOSRT-IUCAKERBSA-N 1 0 334.298 2.259 20 5 EEBDRO CCOC(=O)c1ccnc(NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001160908159 1320311304 /nfs/dbraw/zinc/31/13/04/1320311304.db2.gz IJFAKMHSGWVXPZ-UHFFFAOYSA-N 1 0 330.344 2.237 20 5 EEBDRO O=C(Cc1ccccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161125438 1320394873 /nfs/dbraw/zinc/39/48/73/1320394873.db2.gz VYUNTSCXGOCDAO-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO O=C(Cc1ccccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161130077 1320396848 /nfs/dbraw/zinc/39/68/48/1320396848.db2.gz MFIGQVRSNMATKR-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO Nc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001161988888 1320709317 /nfs/dbraw/zinc/70/93/17/1320709317.db2.gz XUJYFXKQZQEIOH-UHFFFAOYSA-N 1 0 345.378 2.252 20 5 EEBDRO COc1nc(SC)nc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162579219 1320903241 /nfs/dbraw/zinc/90/32/41/1320903241.db2.gz IDXRVWODQATRLV-ZDUSSCGKSA-N 1 0 345.400 2.009 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001162740490 1320946027 /nfs/dbraw/zinc/94/60/27/1320946027.db2.gz BZGDHTPSMHCRKU-HNNXBMFYSA-N 1 0 335.367 2.428 20 5 EEBDRO COc1nc(-n2c3ccccc3nc2[C@H](C)[NH3+])nc(C)c1[N+](=O)[O-] ZINC001162759342 1320951524 /nfs/dbraw/zinc/95/15/24/1320951524.db2.gz QTTADVHJBDZZCR-QMMMGPOBSA-N 1 0 328.332 2.060 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)cnc1Cl ZINC001162789735 1320958837 /nfs/dbraw/zinc/95/88/37/1320958837.db2.gz LCWBQWKMKIQVEI-SZEHBUNVSA-N 1 0 330.722 2.056 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)ccc1OC(F)(F)F ZINC001163074454 1321028722 /nfs/dbraw/zinc/02/87/22/1321028722.db2.gz WTNDUCMORNDYNL-LBPRGKRZSA-N 1 0 347.293 2.284 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc2ccc(NCC[C@H]3CCOC34C[NH2+]C4)nc21 ZINC001163088144 1321031647 /nfs/dbraw/zinc/03/16/47/1321031647.db2.gz WYNZJCGPRBGWDG-LBPRGKRZSA-N 1 0 346.362 2.463 20 5 EEBDRO Cc1c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163321522 1321096925 /nfs/dbraw/zinc/09/69/25/1321096925.db2.gz CMANMHKQDDGPLW-NHYWBVRUSA-N 1 0 336.348 2.134 20 5 EEBDRO CCOCCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163772647 1321213908 /nfs/dbraw/zinc/21/39/08/1321213908.db2.gz BYORROWACRSVNA-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1cc(C[NH3+])nn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001163981736 1321262036 /nfs/dbraw/zinc/26/20/36/1321262036.db2.gz PNGKEIBYEQRQIJ-UHFFFAOYSA-N 1 0 329.129 2.449 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)n1 ZINC001165181656 1321467767 /nfs/dbraw/zinc/46/77/67/1321467767.db2.gz PGYCCENBDIIPNQ-SDBXPKJASA-N 1 0 343.840 2.148 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304519 1321497111 /nfs/dbraw/zinc/49/71/11/1321497111.db2.gz FHXQJLIBUFRXCO-NSHDSACASA-N 1 0 345.325 2.225 20 5 EEBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1(F)F ZINC001166962273 1321826922 /nfs/dbraw/zinc/82/69/22/1321826922.db2.gz VDOYVXVBLWTMEI-JTQLQIEISA-N 1 0 343.721 2.364 20 5 EEBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC001262048893 1322227166 /nfs/dbraw/zinc/22/71/66/1322227166.db2.gz HBLBTKFMPRTMQM-VIFPVBQESA-N 1 0 331.294 2.017 20 5 EEBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308862177 1331606626 /nfs/dbraw/zinc/60/66/26/1331606626.db2.gz SZKTZIZEBVQHFM-UXIGCNINSA-N 1 0 349.387 2.392 20 5 EEBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309964717 1331649934 /nfs/dbraw/zinc/64/99/34/1331649934.db2.gz AKYUYRDLDTUNFD-SNVBAGLBSA-N 1 0 349.478 2.363 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001319748468 1332757363 /nfs/dbraw/zinc/75/73/63/1332757363.db2.gz UGQNHQBDSGLOIL-INIZCTEOSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001321720627 1333148462 /nfs/dbraw/zinc/14/84/62/1333148462.db2.gz NIXZDFDMNWPJPO-UONOGXRCSA-N 1 0 341.433 2.054 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609284165 1351921733 /nfs/dbraw/zinc/92/17/33/1351921733.db2.gz DODDKMIXUAEGAV-AWEZNQCLSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC001335396499 1336370625 /nfs/dbraw/zinc/37/06/25/1336370625.db2.gz HNDGVJBPLGRCML-ROUUACIJSA-N 1 0 328.368 2.052 20 5 EEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291672 1336677550 /nfs/dbraw/zinc/67/75/50/1336677550.db2.gz YPERXFIHRQWULP-RHSMWYFYSA-N 1 0 344.415 2.316 20 5 EEBDRO C/C=C/C=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334001 1336842466 /nfs/dbraw/zinc/84/24/66/1336842466.db2.gz BJZIZIXXKAVMHH-ICWBMWKASA-N 1 0 330.388 2.417 20 5 EEBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC001341642130 1337295716 /nfs/dbraw/zinc/29/57/16/1337295716.db2.gz HDOIHIQWUKJFDU-CVEARBPZSA-N 1 0 329.400 2.300 20 5 EEBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001350403256 1337704066 /nfs/dbraw/zinc/70/40/66/1337704066.db2.gz YIPZVFGQSHYKGF-UHFFFAOYSA-N 1 0 348.432 2.126 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000847880654 1338353983 /nfs/dbraw/zinc/35/39/83/1338353983.db2.gz AESUSZAHCSISDR-UHFFFAOYSA-N 1 0 347.371 2.344 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCCCC[NH3+])c1C ZINC001579734129 1344410608 /nfs/dbraw/zinc/41/06/08/1344410608.db2.gz OUHZOVAXQXCUOR-UHFFFAOYSA-N 1 0 343.449 2.351 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001580693559 1344551586 /nfs/dbraw/zinc/55/15/86/1344551586.db2.gz BDPTZOHLDCLMOY-JQFCIGGWSA-N 1 0 347.415 2.401 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001589134625 1348964356 /nfs/dbraw/zinc/96/43/56/1348964356.db2.gz FUYPIODKRUGORR-LLVKDONJSA-N 1 0 331.380 2.060 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)cc1-c1nn[nH]n1 ZINC001593478497 1349810409 /nfs/dbraw/zinc/81/04/09/1349810409.db2.gz UHMNCGWSXVVOKL-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccn[nH]1 ZINC001752243008 1406237834 /nfs/dbraw/zinc/23/78/34/1406237834.db2.gz IQLSLJXWUFFJRY-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000814873897 1367772651 /nfs/dbraw/zinc/77/26/51/1367772651.db2.gz VTNLFNYKRAXVDB-JTQLQIEISA-N 1 0 341.795 2.423 20 5 EEBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815557830 1368035390 /nfs/dbraw/zinc/03/53/90/1368035390.db2.gz GMGKYTXKRGAEKL-QMTHXVAHSA-N 1 0 327.388 2.484 20 5 EEBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](O)c1ccccc1 ZINC000794606362 1369583398 /nfs/dbraw/zinc/58/33/98/1369583398.db2.gz QVKXEZPVOZPGGL-ROUUACIJSA-N 1 0 345.399 2.104 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000782530214 1371308526 /nfs/dbraw/zinc/30/85/26/1371308526.db2.gz IHEMWNYEJIWBDM-VXGBXAGGSA-N 1 0 339.367 2.467 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000798542497 1371589645 /nfs/dbraw/zinc/58/96/45/1371589645.db2.gz XDUBROQFQHJYPB-LBPRGKRZSA-N 1 0 339.417 2.369 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001580286347 1403858989 /nfs/dbraw/zinc/85/89/89/1403858989.db2.gz DPLJXUIYFFWDPW-GFCCVEGCSA-N 1 0 349.387 2.100 20 5 EEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001164814881 720072646 /nfs/dbraw/zinc/07/26/46/720072646.db2.gz XSOOBBKEGVYATF-YJBOKZPZSA-N 1 0 346.431 2.175 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729792 720351503 /nfs/dbraw/zinc/35/15/03/720351503.db2.gz YCYJTGZAIMCGOP-GJZGRUSLSA-N 1 0 325.372 2.238 20 5 EEBDRO CC(C)Oc1nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167060616 757067753 /nfs/dbraw/zinc/06/77/53/757067753.db2.gz VKQOUCDLKYEVTO-GFCCVEGCSA-N 1 0 331.376 2.430 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101370229 782658875 /nfs/dbraw/zinc/65/88/75/782658875.db2.gz NJMOONHDMAZVSO-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001112089930 769482840 /nfs/dbraw/zinc/48/28/40/769482840.db2.gz HHPIYUOSKDDLTN-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Br)c1 ZINC001226050119 781310020 /nfs/dbraw/zinc/31/00/20/781310020.db2.gz DTLYVMSTGWZZGW-GFCCVEGCSA-N 1 0 345.257 2.374 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C2CC2)CCOCC1 ZINC001131812328 783293689 /nfs/dbraw/zinc/29/36/89/783293689.db2.gz HLVFGWPAFMFAGK-UHFFFAOYSA-N 1 0 347.415 2.007 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H]1C[C@@H](N2CCOCC2)C1 ZINC000817736398 784941820 /nfs/dbraw/zinc/94/18/20/784941820.db2.gz XDGDZVKXBMITOG-OKILXGFUSA-N 1 0 334.372 2.232 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2c([nH]1)CCC2 ZINC001170903091 785255608 /nfs/dbraw/zinc/25/56/08/785255608.db2.gz MYDSDQAEKQFCAN-UHFFFAOYSA-N 1 0 348.428 2.383 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000819149799 785423404 /nfs/dbraw/zinc/42/34/04/785423404.db2.gz MADAUWVZJDPUQD-BBRMVZONSA-N 1 0 346.362 2.031 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000819171623 785446381 /nfs/dbraw/zinc/44/63/81/785446381.db2.gz KOHCWYPNDKWAMA-HZPDHXFCSA-N 1 0 344.367 2.448 20 5 EEBDRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000908513138 785473142 /nfs/dbraw/zinc/47/31/42/785473142.db2.gz ZKJAQXHTXYLUDM-HNNXBMFYSA-N 1 0 348.447 2.188 20 5 EEBDRO CC1(C)CC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000820452583 785918849 /nfs/dbraw/zinc/91/88/49/785918849.db2.gz VBFFQSRBSQVNHN-AWEZNQCLSA-N 1 0 335.404 2.054 20 5 EEBDRO C[C@H](O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129317687 786894592 /nfs/dbraw/zinc/89/45/92/786894592.db2.gz ABSKDRDAYZWDPF-RYUDHWBXSA-N 1 0 339.367 2.155 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000822449048 787210878 /nfs/dbraw/zinc/21/08/78/787210878.db2.gz ZICAXJYXFGMYRQ-AWEZNQCLSA-N 1 0 349.431 2.442 20 5 EEBDRO COc1cc(Cc2noc([C@@H](C)[C@@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145349 787566328 /nfs/dbraw/zinc/56/63/28/787566328.db2.gz GJUROFQFXIJCPP-DTWKUNHWSA-N 1 0 336.348 2.037 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3CC[NH2+][C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823146278 787567099 /nfs/dbraw/zinc/56/70/99/787567099.db2.gz NXXMKLJYTDFKNK-BXKDBHETSA-N 1 0 348.359 2.051 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823988137 788010681 /nfs/dbraw/zinc/01/06/81/788010681.db2.gz UNPFESUYXPEWMO-LBPRGKRZSA-N 1 0 335.408 2.373 20 5 EEBDRO CSc1nc(Cl)nc(Nc2ccc(C[NH3+])nc2)c1[N+](=O)[O-] ZINC001160402592 788776932 /nfs/dbraw/zinc/77/69/32/788776932.db2.gz WQDOMXGEHOBJDB-UHFFFAOYSA-N 1 0 326.769 2.357 20 5 EEBDRO Cc1ccc(F)c(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001148529239 792548848 /nfs/dbraw/zinc/54/88/48/792548848.db2.gz NGJDSZALRMUAJB-UHFFFAOYSA-N 1 0 345.374 2.491 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094509131 796336101 /nfs/dbraw/zinc/33/61/01/796336101.db2.gz FXVAOVWYISPBTM-UHFFFAOYSA-N 1 0 340.399 2.384 20 5 EEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000915624033 796342581 /nfs/dbraw/zinc/34/25/81/796342581.db2.gz YDEOPJGIQZSTKQ-GFCCVEGCSA-N 1 0 339.417 2.030 20 5 EEBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001106777641 796516768 /nfs/dbraw/zinc/51/67/68/796516768.db2.gz CWOAWLNNCVOFBV-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO O=C(NCCCNc1ccccc1[N+](=O)[O-])C12CCC[NH+](CCC1)C2 ZINC001094872985 796877720 /nfs/dbraw/zinc/87/77/20/796877720.db2.gz JJIBXZVKQFYQFS-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCS(=O)(=O)CC1)CC2 ZINC001172899240 797128399 /nfs/dbraw/zinc/12/83/99/797128399.db2.gz MWAIIKCSEAZUGY-AWEZNQCLSA-N 1 0 338.429 2.009 20 5 EEBDRO CN1CCC2(C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C1=O ZINC001172913475 797171923 /nfs/dbraw/zinc/17/19/23/797171923.db2.gz QVSLGBGVCJQANE-HNNXBMFYSA-N 1 0 329.400 2.006 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)c1F ZINC001173175343 797276473 /nfs/dbraw/zinc/27/64/73/797276473.db2.gz ALTPDUDQZNRQOL-QJPTWQEYSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCCC2)c1F ZINC001173175496 797276617 /nfs/dbraw/zinc/27/66/17/797276617.db2.gz OJKSFLISGCDOKC-LBPRGKRZSA-N 1 0 325.384 2.359 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1F ZINC001173183249 797280301 /nfs/dbraw/zinc/28/03/01/797280301.db2.gz LRHNOUKTPZWFFE-QCZZGDTMSA-N 1 0 326.368 2.423 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001173221786 797302859 /nfs/dbraw/zinc/30/28/59/797302859.db2.gz MGRYHORXEBDJMB-BXUZGUMPSA-N 1 0 348.321 2.151 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@](O)(C(F)(F)F)C1 ZINC001173221791 797302998 /nfs/dbraw/zinc/30/29/98/797302998.db2.gz MGRYHORXEBDJMB-RISCZKNCSA-N 1 0 348.321 2.151 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001173228870 797310870 /nfs/dbraw/zinc/31/08/70/797310870.db2.gz LBZYSQGUXMFQET-BLLLJJGKSA-N 1 0 349.431 2.127 20 5 EEBDRO Cc1cnc(NC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001095228222 797549466 /nfs/dbraw/zinc/54/94/66/797549466.db2.gz ATVADWOTTSHBNY-UHFFFAOYSA-N 1 0 349.435 2.041 20 5 EEBDRO Cc1ccccc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150542698 798302932 /nfs/dbraw/zinc/30/29/32/798302932.db2.gz OOKOXOWVHHHEQN-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001176170474 798363415 /nfs/dbraw/zinc/36/34/15/798363415.db2.gz WLAFJMNUBZOVGN-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000786149013 806698115 /nfs/dbraw/zinc/69/81/15/806698115.db2.gz JPUGLCSVGQSHCA-HNNXBMFYSA-N 1 0 338.404 2.129 20 5 EEBDRO O=C(NCCCCCC[NH2+]CCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464476 799487373 /nfs/dbraw/zinc/48/73/73/799487373.db2.gz SUXPXDNCHLWAIA-HZPDHXFCSA-N 1 0 325.453 2.498 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)cc1OC ZINC001168769462 800343926 /nfs/dbraw/zinc/34/39/26/800343926.db2.gz ULGBNXVFUKIYMR-UHFFFAOYSA-N 1 0 339.392 2.390 20 5 EEBDRO Cc1c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC000922620115 801538171 /nfs/dbraw/zinc/53/81/71/801538171.db2.gz LPVBCQOOBHMECM-UHFFFAOYSA-N 1 0 336.388 2.041 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(F)c[nH]1 ZINC001086150611 802308624 /nfs/dbraw/zinc/30/86/24/802308624.db2.gz PYVKGGNSAIYZBU-XBXGTLAGSA-N 1 0 346.362 2.360 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001086293560 802682175 /nfs/dbraw/zinc/68/21/75/802682175.db2.gz IIURUZDGFIUIOI-MQMHXKEQSA-N 1 0 329.356 2.486 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3ncc(F)c4cc([N+](=O)[O-])ccc43)cc2C1 ZINC001168812137 803450935 /nfs/dbraw/zinc/45/09/35/803450935.db2.gz OQHSRRKMYMHCAA-SNVBAGLBSA-N 1 0 327.319 2.284 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc4cnccc4c3[N+](=O)[O-])n2)c1 ZINC001168885280 803500988 /nfs/dbraw/zinc/50/09/88/803500988.db2.gz WBIMLJXFARCGNQ-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO NC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977423 803543703 /nfs/dbraw/zinc/54/37/03/803543703.db2.gz JRFCJXHEEGKSIL-GDLCADMTSA-N 1 0 342.237 2.484 20 5 EEBDRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168973976 803557204 /nfs/dbraw/zinc/55/72/04/803557204.db2.gz PUIGAGQMMIPXKC-JSGCOSHPSA-N 1 0 348.403 2.317 20 5 EEBDRO COc1cccc(Cn2cnc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)c2)c1 ZINC001168998802 803563999 /nfs/dbraw/zinc/56/39/99/803563999.db2.gz QFPKUPIFOSFNTI-HOTGVXAUSA-N 1 0 344.415 2.475 20 5 EEBDRO Cc1cccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168999992 803565012 /nfs/dbraw/zinc/56/50/12/803565012.db2.gz WRLVGTQIGHXQSJ-CVEARBPZSA-N 1 0 333.432 2.473 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011539 803571119 /nfs/dbraw/zinc/57/11/19/803571119.db2.gz KTZWKGBDSJLFPI-BFHYXJOUSA-N 1 0 327.425 2.373 20 5 EEBDRO O=C1Nc2ncccc2C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169034511 803579703 /nfs/dbraw/zinc/57/97/03/803579703.db2.gz GSGQOYBDTCSYCR-QWHCGFSZSA-N 1 0 346.387 2.380 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169020722 803588467 /nfs/dbraw/zinc/58/84/67/803588467.db2.gz MCCFRAUDVFFDSV-LMSBXDPUSA-N 1 0 347.415 2.139 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCc3ncn4c3C[NH2+]CCC4)ccnc21 ZINC001169243175 803666915 /nfs/dbraw/zinc/66/69/15/803666915.db2.gz DGLIEKSKLNQMER-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109452348 805487591 /nfs/dbraw/zinc/48/75/91/805487591.db2.gz JYXOATKHLUDIBC-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000788043568 807344247 /nfs/dbraw/zinc/34/42/47/807344247.db2.gz VDBDHKWKDYHVRF-ZDUSSCGKSA-N 1 0 347.371 2.342 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788916601 807758623 /nfs/dbraw/zinc/75/86/23/807758623.db2.gz QUOSSBFFFAMCMV-UHFFFAOYSA-N 1 0 347.462 2.153 20 5 EEBDRO COC(=O)C1(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170297183 809869889 /nfs/dbraw/zinc/86/98/89/809869889.db2.gz LSBZXNJFSDFYAB-LBPRGKRZSA-N 1 0 336.388 2.467 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C2(CO)CCSCC2)c([N+](=O)[O-])c1 ZINC001170317429 809888038 /nfs/dbraw/zinc/88/80/38/809888038.db2.gz IKPRADLDBSTOCF-LBPRGKRZSA-N 1 0 340.445 2.382 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c([N+](=O)[O-])c1 ZINC001170308689 809901266 /nfs/dbraw/zinc/90/12/66/809901266.db2.gz NYFHTBZQHRYPCW-LBPRGKRZSA-N 1 0 331.372 2.023 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CNC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC001170353383 809901992 /nfs/dbraw/zinc/90/19/92/809901992.db2.gz XJNKYZVNGFURBI-LBPRGKRZSA-N 1 0 349.387 2.109 20 5 EEBDRO COc1ccc(C[C@H](C)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170354194 809902897 /nfs/dbraw/zinc/90/28/97/809902897.db2.gz IHMAUDDSMZVTBR-JCKWVBRZSA-N 1 0 333.432 2.418 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351519 809919901 /nfs/dbraw/zinc/91/99/01/809919901.db2.gz CWFBHVGBXBHDGI-WFASDCNBSA-N 1 0 335.404 2.087 20 5 EEBDRO CCc1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001129583005 810921595 /nfs/dbraw/zinc/92/15/95/810921595.db2.gz LVBUKERPBGFKIQ-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000808783235 812853283 /nfs/dbraw/zinc/85/32/83/812853283.db2.gz MJCWJIGRCCQGNC-APHBMKBZSA-N 1 0 335.379 2.471 20 5 EEBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001519605194 1119092273 /nfs/dbraw/zinc/09/22/73/1119092273.db2.gz FKPLHKJFMKLTLY-LBPRGKRZSA-N 1 0 346.391 2.048 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001521229981 1119225813 /nfs/dbraw/zinc/22/58/13/1119225813.db2.gz REGKAJXJXWRJMF-UMVBOHGHSA-N 1 0 347.415 2.340 20 5 EEBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)OCC(C)(C)[N+](=O)[O-])cc1 ZINC001526111126 1120440523 /nfs/dbraw/zinc/44/05/23/1120440523.db2.gz PVPYPEKQIFFMEU-JXMROGBWSA-N 1 0 336.388 2.239 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000173757362 231024656 /nfs/dbraw/zinc/02/46/56/231024656.db2.gz PDWVSJDNUASVGA-KRWDZBQOSA-N 1 0 348.378 2.204 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171804046 529467934 /nfs/dbraw/zinc/46/79/34/529467934.db2.gz NGDWMAWXUXZNBQ-CYBMUJFWSA-N 1 0 349.366 2.052 20 5 EEBDRO CNC(=O)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170913928 529924330 /nfs/dbraw/zinc/92/43/30/529924330.db2.gz DUIRQRPSZGUMIN-CQSZACIVSA-N 1 0 344.371 2.003 20 5 EEBDRO CCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559273 215053298 /nfs/dbraw/zinc/05/32/98/215053298.db2.gz KUDGOCYPKXLHQI-MRXNPFEDSA-N 1 0 340.445 2.427 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C)CC2)cc1SC ZINC000103186322 219267245 /nfs/dbraw/zinc/26/72/45/219267245.db2.gz OATKJYFJLCNJBM-UHFFFAOYSA-N 1 0 339.417 2.149 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130342248 223146095 /nfs/dbraw/zinc/14/60/95/223146095.db2.gz SSGNGUNBSOWBLU-UHFFFAOYSA-N 1 0 345.403 2.450 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000131333688 223223930 /nfs/dbraw/zinc/22/39/30/223223930.db2.gz OEHYCGRDUSFWQL-CQSZACIVSA-N 1 0 332.404 2.268 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072860177 216320938 /nfs/dbraw/zinc/32/09/38/216320938.db2.gz WFQDUHBTNPIIDZ-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072860152 216321239 /nfs/dbraw/zinc/32/12/39/216321239.db2.gz WDELXPDVAKOHPJ-CQSZACIVSA-N 1 0 334.420 2.115 20 5 EEBDRO COc1cc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422625928 240164595 /nfs/dbraw/zinc/16/45/95/240164595.db2.gz IFKGVJVKJVDUKS-AWEZNQCLSA-N 1 0 341.367 2.442 20 5 EEBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000425488999 241148280 /nfs/dbraw/zinc/14/82/80/241148280.db2.gz XUTISJRVAIUOPD-INIZCTEOSA-N 1 0 334.420 2.195 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC1CC[NH+](C2CC2)CC1 ZINC000446463655 242193129 /nfs/dbraw/zinc/19/31/29/242193129.db2.gz DCZIHFLNPJSLCL-UHFFFAOYSA-N 1 0 335.379 2.267 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236876312 242392770 /nfs/dbraw/zinc/39/27/70/242392770.db2.gz YOXUWTIIXKQKFJ-ZDUSSCGKSA-N 1 0 345.403 2.243 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449649728 242584511 /nfs/dbraw/zinc/58/45/11/242584511.db2.gz SNQIDURYEUYOHY-STQMWFEESA-N 1 0 343.387 2.028 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237892538 242840949 /nfs/dbraw/zinc/84/09/49/242840949.db2.gz GWWNXIXCZQFBQS-UHFFFAOYSA-N 1 0 348.359 2.107 20 5 EEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCNc1ccccc1[N+](=O)[O-] ZINC000237885337 242837562 /nfs/dbraw/zinc/83/75/62/242837562.db2.gz WXUMMENMLCFNBD-AGUYFDCRSA-N 1 0 332.404 2.044 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NC[C@H]3CCC[N@H+]3CCCO)ccnc21 ZINC000450598513 242861496 /nfs/dbraw/zinc/86/14/96/242861496.db2.gz QZAVNMCBZSOFHT-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418791 243107220 /nfs/dbraw/zinc/10/72/20/243107220.db2.gz NBIGSGRACXRZHK-USXIJHARSA-N 1 0 347.415 2.467 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245851822 243163632 /nfs/dbraw/zinc/16/36/32/243163632.db2.gz GHNPXNSXQLIMCL-IHRRRGAJSA-N 1 0 335.404 2.190 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262584357 245045269 /nfs/dbraw/zinc/04/52/69/245045269.db2.gz NRVOUOLZVZONJH-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1SC ZINC000262584345 245045888 /nfs/dbraw/zinc/04/58/88/245045888.db2.gz NRCKBEFXNWSIAI-JTQLQIEISA-N 1 0 339.417 2.055 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H](CC)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000077928343 217000769 /nfs/dbraw/zinc/00/07/69/217000769.db2.gz URSAYTJVKMEKFK-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738065 245229839 /nfs/dbraw/zinc/22/98/39/245229839.db2.gz AAGHEJOMTVFSER-KBPBESRZSA-N 1 0 333.388 2.389 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459752564 245238514 /nfs/dbraw/zinc/23/85/14/245238514.db2.gz IOWFDIJGZHJXGO-HUUCEWRRSA-N 1 0 333.388 2.471 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000110997241 220090528 /nfs/dbraw/zinc/09/05/28/220090528.db2.gz RHSVAOQODXKQLY-GFCCVEGCSA-N 1 0 336.348 2.107 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150798212 223742404 /nfs/dbraw/zinc/74/24/04/223742404.db2.gz RSEJFARRFWUSTP-OAHLLOKOSA-N 1 0 346.431 2.259 20 5 EEBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265088532 247191653 /nfs/dbraw/zinc/19/16/53/247191653.db2.gz SIVRBWJLXSBLIB-JTQLQIEISA-N 1 0 337.767 2.062 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000265144937 247244874 /nfs/dbraw/zinc/24/48/74/247244874.db2.gz RHPLVLATDCDRHQ-JKSUJKDBSA-N 1 0 333.388 2.485 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000265144929 247245069 /nfs/dbraw/zinc/24/50/69/247245069.db2.gz RHPLVLATDCDRHQ-CVEARBPZSA-N 1 0 333.388 2.485 20 5 EEBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521107 248342839 /nfs/dbraw/zinc/34/28/39/248342839.db2.gz CPNGUUVVCUEBIG-NHYWBVRUSA-N 1 0 338.795 2.499 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363543920 285088871 /nfs/dbraw/zinc/08/88/71/285088871.db2.gz HBIRIXWRMUDNRH-HOCLYGCPSA-N 1 0 339.823 2.279 20 5 EEBDRO COC(=O)C[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271205189 256219746 /nfs/dbraw/zinc/21/97/46/256219746.db2.gz REPRHTICFQDQJM-LBPRGKRZSA-N 1 0 338.360 2.140 20 5 EEBDRO COC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000271210977 256220308 /nfs/dbraw/zinc/22/03/08/256220308.db2.gz YAVOLHQJSBKRSZ-ZDUSSCGKSA-N 1 0 330.388 2.464 20 5 EEBDRO CC(C)NC(=O)c1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000273685843 256318024 /nfs/dbraw/zinc/31/80/24/256318024.db2.gz ASIVGECIYIUTQP-UHFFFAOYSA-N 1 0 332.404 2.407 20 5 EEBDRO COc1cc(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000274306954 256372681 /nfs/dbraw/zinc/37/26/81/256372681.db2.gz LCJIYOXHVFJKML-UKRRQHHQSA-N 1 0 343.424 2.220 20 5 EEBDRO CCCNC(=O)CN(CCC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274320617 256373638 /nfs/dbraw/zinc/37/36/38/256373638.db2.gz YVHNIZHOZSYRFF-UHFFFAOYSA-N 1 0 341.383 2.481 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC[NH+](C)CC1 ZINC000119627646 221362202 /nfs/dbraw/zinc/36/22/02/221362202.db2.gz SKMHOQXOEXBATR-UHFFFAOYSA-N 1 0 328.372 2.309 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495458149 533382508 /nfs/dbraw/zinc/38/25/08/533382508.db2.gz HIMJNYPPBVJRQQ-SOKLDJIMSA-N 1 0 331.372 2.428 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000120371666 142387269 /nfs/dbraw/zinc/38/72/69/142387269.db2.gz FPAHMJUSONKUPF-UHFFFAOYSA-N 1 0 335.404 2.325 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054510674 292139995 /nfs/dbraw/zinc/13/99/95/292139995.db2.gz FNOMEEGCLSDQEO-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1c(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000120863879 292258624 /nfs/dbraw/zinc/25/86/24/292258624.db2.gz ZSVDXDQREZADSJ-INIZCTEOSA-N 1 0 349.431 2.015 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254454 152874266 /nfs/dbraw/zinc/87/42/66/152874266.db2.gz BCMSXTKTJTXOCT-ZQIUZPCESA-N 1 0 331.416 2.326 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC000123187999 292279638 /nfs/dbraw/zinc/27/96/38/292279638.db2.gz SUHQESXNELNIJD-WFASDCNBSA-N 1 0 344.415 2.288 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000075635414 159075285 /nfs/dbraw/zinc/07/52/85/159075285.db2.gz MKRRKXYKXMHIGG-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000104530210 159287074 /nfs/dbraw/zinc/28/70/74/159287074.db2.gz ZNIXWVRVVDIIFG-UHFFFAOYSA-N 1 0 325.434 2.487 20 5 EEBDRO C[C@@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000190324146 160157997 /nfs/dbraw/zinc/15/79/97/160157997.db2.gz HSNRFJAVXQKEOP-VXGBXAGGSA-N 1 0 340.449 2.377 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247331468 160320337 /nfs/dbraw/zinc/32/03/37/160320337.db2.gz WXMPDZNDDSWIDZ-DOTOQJQBSA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341724258 161009008 /nfs/dbraw/zinc/00/90/08/161009008.db2.gz VBDFWMISGXNAAM-STQMWFEESA-N 1 0 334.420 2.474 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N[C@@H](C(C)=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342296011 161054303 /nfs/dbraw/zinc/05/43/03/161054303.db2.gz PSVGXPAMVKQMJA-NVXWUHKLSA-N 1 0 335.404 2.365 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000342605877 161077426 /nfs/dbraw/zinc/07/74/26/161077426.db2.gz LLMUNEAOZOBQHV-CYBMUJFWSA-N 1 0 346.431 2.442 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000342605879 161077513 /nfs/dbraw/zinc/07/75/13/161077513.db2.gz LLMUNEAOZOBQHV-ZDUSSCGKSA-N 1 0 346.431 2.442 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343446097 161136908 /nfs/dbraw/zinc/13/69/08/161136908.db2.gz LUXCDTFLHCPJHH-SMDDNHRTSA-N 1 0 332.404 2.382 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343822758 161171378 /nfs/dbraw/zinc/17/13/78/161171378.db2.gz ZVRRSFQUSQXZOK-UHFFFAOYSA-N 1 0 346.387 2.245 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000344068816 161195671 /nfs/dbraw/zinc/19/56/71/161195671.db2.gz KLLSRLLKWOYKPD-WBAXXEDZSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344130956 161200716 /nfs/dbraw/zinc/20/07/16/161200716.db2.gz IUPSHBVRBYGIRL-GXTWGEPZSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)[C@H]3CCOC3)cs2)c1 ZINC000344482961 161232191 /nfs/dbraw/zinc/23/21/91/161232191.db2.gz KOXANVLUKBNQMV-WFASDCNBSA-N 1 0 349.412 2.205 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000344797220 161246530 /nfs/dbraw/zinc/24/65/30/161246530.db2.gz WCQFTHOTQCVEIP-WAFIBAPDSA-N 1 0 331.416 2.451 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345746333 161328240 /nfs/dbraw/zinc/32/82/40/161328240.db2.gz ASHPGRVHDIKWSS-UONOGXRCSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000346316924 161362371 /nfs/dbraw/zinc/36/23/71/161362371.db2.gz IHWRBOKUQWPBAQ-GOSISDBHSA-N 1 0 347.415 2.226 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352030843 162037466 /nfs/dbraw/zinc/03/74/66/162037466.db2.gz XNNKHQIZHVVNCN-NWDGAFQWSA-N 1 0 330.388 2.170 20 5 EEBDRO COc1cc(CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352691181 162246007 /nfs/dbraw/zinc/24/60/07/162246007.db2.gz JSDIOGGOABWUNA-SNVBAGLBSA-N 1 0 345.346 2.041 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352803245 162294370 /nfs/dbraw/zinc/29/43/70/162294370.db2.gz YGDXLWGCBKHDCT-ZWNOBZJWSA-N 1 0 339.417 2.273 20 5 EEBDRO CC[NH+]1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000353451153 162569221 /nfs/dbraw/zinc/56/92/21/162569221.db2.gz WPPZRRYXRIWOQS-QGZVFWFLSA-N 1 0 343.431 2.492 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000237578904 298528803 /nfs/dbraw/zinc/52/88/03/298528803.db2.gz URBCUKZGOBXVMU-MGPQQGTHSA-N 1 0 348.447 2.402 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCOC[C@@H]1C ZINC000355651192 163259121 /nfs/dbraw/zinc/25/91/21/163259121.db2.gz BWNSIWWSPBFPSM-ZDUSSCGKSA-N 1 0 336.392 2.054 20 5 EEBDRO CC(C)[NH+](CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(C)C ZINC000356161467 163354280 /nfs/dbraw/zinc/35/42/80/163354280.db2.gz FGIITPKWVQOCDY-UHFFFAOYSA-N 1 0 339.440 2.104 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356256840 163383203 /nfs/dbraw/zinc/38/32/03/163383203.db2.gz TZBBLNDMVNPDQQ-NHYWBVRUSA-N 1 0 344.371 2.117 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000359098031 164058429 /nfs/dbraw/zinc/05/84/29/164058429.db2.gz BXFQINPMFGHZBC-SFHVURJKSA-N 1 0 341.411 2.426 20 5 EEBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359620820 164139010 /nfs/dbraw/zinc/13/90/10/164139010.db2.gz WCYHWDABKNUENW-UHFFFAOYSA-N 1 0 345.399 2.190 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000363884297 164978056 /nfs/dbraw/zinc/97/80/56/164978056.db2.gz DVZHVPHHEHGCHJ-UHFFFAOYSA-N 1 0 336.388 2.485 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000369911221 166355407 /nfs/dbraw/zinc/35/54/07/166355407.db2.gz KCRMCGRBRSWKCM-AEGPPILISA-N 1 0 344.415 2.369 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000375870425 167215112 /nfs/dbraw/zinc/21/51/12/167215112.db2.gz HIEGGIXJDXJFOE-HUUCEWRRSA-N 1 0 346.431 2.482 20 5 EEBDRO CC(C)(O)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274876815 269067898 /nfs/dbraw/zinc/06/78/98/269067898.db2.gz YTTRZFUBOAYQTM-UHFFFAOYSA-N 1 0 347.419 2.144 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275155622 269099068 /nfs/dbraw/zinc/09/90/68/269099068.db2.gz YXGABFWNEBWFDY-NSHDSACASA-N 1 0 331.294 2.095 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000278303601 269222203 /nfs/dbraw/zinc/22/22/03/269222203.db2.gz SFOMADSYILTHHP-ZIAGYGMSSA-N 1 0 346.431 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H](O)[C@H](O)C3)o2)c(Cl)c1 ZINC000278338203 269224364 /nfs/dbraw/zinc/22/43/64/269224364.db2.gz HKDKLBMLNLWUOL-ZIAGYGMSSA-N 1 0 338.747 2.046 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000279285621 269267537 /nfs/dbraw/zinc/26/75/37/269267537.db2.gz XIBSFXNJQUXVCN-NSHDSACASA-N 1 0 336.367 2.017 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000279364768 269274437 /nfs/dbraw/zinc/27/44/37/269274437.db2.gz GJYFQZSHAVEFRE-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO Cc1cc(NCC2(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280630478 269380633 /nfs/dbraw/zinc/38/06/33/269380633.db2.gz ZVNKFOKQOHIXRE-UHFFFAOYSA-N 1 0 335.385 2.441 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1O ZINC000188992272 274035683 /nfs/dbraw/zinc/03/56/83/274035683.db2.gz IYADNAYUYHKEAK-OAHLLOKOSA-N 1 0 346.383 2.311 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000278211685 274341468 /nfs/dbraw/zinc/34/14/68/274341468.db2.gz FRJFLRPCKJXNTR-JTQLQIEISA-N 1 0 348.325 2.267 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075870 274834046 /nfs/dbraw/zinc/83/40/46/274834046.db2.gz JWFGREZPOFDCIM-JQWIXIFHSA-N 1 0 341.795 2.327 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287205731 274944609 /nfs/dbraw/zinc/94/46/09/274944609.db2.gz POKMXMPPGXMQIZ-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000287930417 275006924 /nfs/dbraw/zinc/00/69/24/275006924.db2.gz QMHHBPNVDOVQIE-XHDPSFHLSA-N 1 0 344.371 2.117 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000450367658 275039673 /nfs/dbraw/zinc/03/96/73/275039673.db2.gz CSBKHSZDKGZBHJ-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487788 275063301 /nfs/dbraw/zinc/06/33/01/275063301.db2.gz RIKNWAUSBQBDLH-UKRRQHHQSA-N 1 0 346.431 2.360 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487779 275063349 /nfs/dbraw/zinc/06/33/49/275063349.db2.gz RIKNWAUSBQBDLH-DZGCQCFKSA-N 1 0 346.431 2.360 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CCOC)CC[NH+](C)C ZINC000289548826 275126464 /nfs/dbraw/zinc/12/64/64/275126464.db2.gz XNRHTDNPBFMZCP-UHFFFAOYSA-N 1 0 325.409 2.004 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289716847 275142240 /nfs/dbraw/zinc/14/22/40/275142240.db2.gz IGHBAJMNNPSUOF-YPMHNXCESA-N 1 0 330.331 2.312 20 5 EEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290193046 275188203 /nfs/dbraw/zinc/18/82/03/275188203.db2.gz QOJHQHALQSBTIH-JFDDCEBESA-N 1 0 329.400 2.456 20 5 EEBDRO NC(=O)c1ccnc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290497254 275212732 /nfs/dbraw/zinc/21/27/32/275212732.db2.gz AKECWHUBOUUTQW-UHFFFAOYSA-N 1 0 347.419 2.298 20 5 EEBDRO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[N@@H+]1C1CC1 ZINC000290525946 275215310 /nfs/dbraw/zinc/21/53/10/275215310.db2.gz CVFKUGADKXLFLL-UWVGGRQHSA-N 1 0 329.360 2.281 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291673783 275328696 /nfs/dbraw/zinc/32/86/96/275328696.db2.gz QIIWXFUTIBHFLS-GUYCJALGSA-N 1 0 332.404 2.393 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262219091 275816352 /nfs/dbraw/zinc/81/63/52/275816352.db2.gz MMVKYNNTMBYYKV-INIZCTEOSA-N 1 0 346.431 2.022 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269356820 276041412 /nfs/dbraw/zinc/04/14/12/276041412.db2.gz UIYKDPACINYXMX-ZDUSSCGKSA-N 1 0 345.403 2.474 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000339950003 276102868 /nfs/dbraw/zinc/10/28/68/276102868.db2.gz ZDJWVYXXYYWNHU-GFCCVEGCSA-N 1 0 338.408 2.133 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449749991 276154790 /nfs/dbraw/zinc/15/47/90/276154790.db2.gz RQNJUYDWVRVMCY-OAHLLOKOSA-N 1 0 332.404 2.065 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000264407067 276198882 /nfs/dbraw/zinc/19/88/82/276198882.db2.gz NKROYYYZBNLOTL-CQSZACIVSA-N 1 0 338.839 2.464 20 5 EEBDRO CC(C)(C)N1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447589917 277164068 /nfs/dbraw/zinc/16/40/68/277164068.db2.gz ZNCFFNDGRYZOPA-HZSPNIEDSA-N 1 0 349.435 2.264 20 5 EEBDRO COc1cccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000375375994 278016359 /nfs/dbraw/zinc/01/63/59/278016359.db2.gz AQDPELFYYPFEHF-LSDHHAIUSA-N 1 0 348.447 2.066 20 5 EEBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964081 278235234 /nfs/dbraw/zinc/23/52/34/278235234.db2.gz AVPHUPIDTMIOIM-XHDPSFHLSA-N 1 0 326.418 2.385 20 5 EEBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000346361082 279188218 /nfs/dbraw/zinc/18/82/18/279188218.db2.gz ZLHGFXFFBWFQKO-UHFFFAOYSA-N 1 0 336.392 2.034 20 5 EEBDRO C[C@@H]1C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424049982 288656873 /nfs/dbraw/zinc/65/68/73/288656873.db2.gz AMZLZANKPOXJQA-RDBSUJKOSA-N 1 0 335.404 2.196 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000282081329 292808566 /nfs/dbraw/zinc/80/85/66/292808566.db2.gz XQEOYCABMWBULE-AWEZNQCLSA-N 1 0 346.387 2.472 20 5 EEBDRO COc1ccc(OCCN2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000293042000 293109996 /nfs/dbraw/zinc/10/99/96/293109996.db2.gz SMDPDGXLFLGPCU-GOSISDBHSA-N 1 0 349.431 2.400 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293505407 293224950 /nfs/dbraw/zinc/22/49/50/293224950.db2.gz UTFSSOTXOAZKCT-OKILXGFUSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293753719 293287181 /nfs/dbraw/zinc/28/71/81/293287181.db2.gz SUVTXZAQYBLIOA-GFCCVEGCSA-N 1 0 332.404 2.123 20 5 EEBDRO CCn1ccnc1[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000294141692 293380499 /nfs/dbraw/zinc/38/04/99/293380499.db2.gz OJSFLMDVGVNSCB-OAHLLOKOSA-N 1 0 345.403 2.200 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000295480764 293732060 /nfs/dbraw/zinc/73/20/60/293732060.db2.gz JFBBZNMPFOIAQW-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCOC(=O)c1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000295611960 293768472 /nfs/dbraw/zinc/76/84/72/293768472.db2.gz DUIDDJSYARZTJN-UHFFFAOYSA-N 1 0 346.387 2.373 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000332558604 312025348 /nfs/dbraw/zinc/02/53/48/312025348.db2.gz OXJRQCBGTMGGRI-HUUCEWRRSA-N 1 0 347.415 2.367 20 5 EEBDRO C[N@@H+]1CC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000350183993 312317185 /nfs/dbraw/zinc/31/71/85/312317185.db2.gz REQFNGLFPOKZKW-JTQLQIEISA-N 1 0 327.344 2.469 20 5 EEBDRO C[NH+](C)CCCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1F ZINC000413296011 312840773 /nfs/dbraw/zinc/84/07/73/312840773.db2.gz HQWCYMFMWSUPAP-UHFFFAOYSA-N 1 0 349.366 2.467 20 5 EEBDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000414321580 312997797 /nfs/dbraw/zinc/99/77/97/312997797.db2.gz CTXPUMBPBPPKQN-GFCCVEGCSA-N 1 0 326.418 2.460 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414506064 313034377 /nfs/dbraw/zinc/03/43/77/313034377.db2.gz BTHURLOGCMEAJP-UHFFFAOYSA-N 1 0 344.433 2.296 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635312 313155840 /nfs/dbraw/zinc/15/58/40/313155840.db2.gz UIPQYQQQTWHHNQ-UHFFFAOYSA-N 1 0 347.350 2.430 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712515 313573747 /nfs/dbraw/zinc/57/37/47/313573747.db2.gz FXUODNGGZFQSLS-UONOGXRCSA-N 1 0 349.435 2.274 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000424989334 314315524 /nfs/dbraw/zinc/31/55/24/314315524.db2.gz IJTBUGHENJOLND-UHFFFAOYSA-N 1 0 349.431 2.015 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000440727009 315147599 /nfs/dbraw/zinc/14/75/99/315147599.db2.gz AMPALBUKVMRASY-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448693056 315376528 /nfs/dbraw/zinc/37/65/28/315376528.db2.gz YMYUVFGFDVJACM-UHFFFAOYSA-N 1 0 345.403 2.445 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451880754 315463510 /nfs/dbraw/zinc/46/35/10/315463510.db2.gz AGIZFCGURVIEPA-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225706 318053081 /nfs/dbraw/zinc/05/30/81/318053081.db2.gz JHKFQAKGBHGGII-ZFWWWQNUSA-N 1 0 348.403 2.290 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000541107260 318092873 /nfs/dbraw/zinc/09/28/73/318092873.db2.gz URTPWADWSLYEQX-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414469 318387201 /nfs/dbraw/zinc/38/72/01/318387201.db2.gz GBMAZXPGSSSGSP-NSHDSACASA-N 1 0 349.416 2.021 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000564942427 319131210 /nfs/dbraw/zinc/13/12/10/319131210.db2.gz KVXBASDFJUFMTQ-KGLIPLIRSA-N 1 0 332.404 2.098 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000574232829 320007060 /nfs/dbraw/zinc/00/70/60/320007060.db2.gz KHBUFJHOPCBUDO-CQSZACIVSA-N 1 0 330.388 2.102 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CCSCC1 ZINC000576747656 320200478 /nfs/dbraw/zinc/20/04/78/320200478.db2.gz AHFVBFZZLZTCAR-CYBMUJFWSA-N 1 0 326.418 2.067 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(CC)(CC)C[NH3+])cc1OC ZINC000581661708 324298031 /nfs/dbraw/zinc/29/80/31/324298031.db2.gz ONDNVCCWUHHDJH-UHFFFAOYSA-N 1 0 339.392 2.249 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165847410 463649377 /nfs/dbraw/zinc/64/93/77/463649377.db2.gz HZBHNUMSDOVWLE-NSHDSACASA-N 1 0 342.193 2.229 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296373141 465173957 /nfs/dbraw/zinc/17/39/57/465173957.db2.gz IYQDAHHHBJVIIN-QWHCGFSZSA-N 1 0 332.404 2.439 20 5 EEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499008 465187372 /nfs/dbraw/zinc/18/73/72/465187372.db2.gz CDFKOOFNGWNJJW-HIFRSBDPSA-N 1 0 341.795 2.327 20 5 EEBDRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503795 465190107 /nfs/dbraw/zinc/19/01/07/465190107.db2.gz UAFVZEGVUAPJJF-CABCVRRESA-N 1 0 343.387 2.164 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341801334 465261451 /nfs/dbraw/zinc/26/14/51/465261451.db2.gz VLRAQTLTJMTWPU-WCQYABFASA-N 1 0 328.376 2.214 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566469 468273890 /nfs/dbraw/zinc/27/38/90/468273890.db2.gz JVUQWEFVFYNRQJ-BDJLRTHQSA-N 1 0 330.388 2.170 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000060404920 462547638 /nfs/dbraw/zinc/54/76/38/462547638.db2.gz KCOCDVYSJUZVOE-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CC[C@H](CCO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152627212 462558875 /nfs/dbraw/zinc/55/88/75/462558875.db2.gz UDAMYCXTEJZYEB-CYBMUJFWSA-N 1 0 332.404 2.494 20 5 EEBDRO Nc1nc(NCC2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000060864754 462567463 /nfs/dbraw/zinc/56/74/63/462567463.db2.gz WCRGEHOBUZIOFC-UHFFFAOYSA-N 1 0 348.432 2.353 20 5 EEBDRO C[NH+](C)CCN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153577743 462666502 /nfs/dbraw/zinc/66/65/02/462666502.db2.gz BQXDYULMWHZUDE-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635382 462699892 /nfs/dbraw/zinc/69/98/92/462699892.db2.gz CQGLBOXOULLKEK-IUODEOHRSA-N 1 0 340.445 2.329 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116127562 462742974 /nfs/dbraw/zinc/74/29/74/462742974.db2.gz MPNZBPXQQWHZOX-OAHLLOKOSA-N 1 0 337.420 2.456 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000090522995 462796054 /nfs/dbraw/zinc/79/60/54/462796054.db2.gz GFJCRTAYNSSNFB-UHFFFAOYSA-N 1 0 335.404 2.180 20 5 EEBDRO O=[N+]([O-])c1cccc(CNCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000132592594 462866907 /nfs/dbraw/zinc/86/69/07/462866907.db2.gz GAKCDSBOANEUIC-UHFFFAOYSA-N 1 0 338.360 2.297 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119460474 462903117 /nfs/dbraw/zinc/90/31/17/462903117.db2.gz NPSZSBILTHHUMG-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000155912027 462957938 /nfs/dbraw/zinc/95/79/38/462957938.db2.gz PORVOBRCVWWWMH-OCCSQVGLSA-N 1 0 332.404 2.042 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000590756119 468328730 /nfs/dbraw/zinc/32/87/30/468328730.db2.gz GSHZJHYHRPONIG-IUIKQTSFSA-N 1 0 333.388 2.245 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000134015963 462995575 /nfs/dbraw/zinc/99/55/75/462995575.db2.gz MPDCTGYFURIQBA-GXTWGEPZSA-N 1 0 343.387 2.101 20 5 EEBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000134154164 463009919 /nfs/dbraw/zinc/00/99/19/463009919.db2.gz SKTZQWCHJVCJOY-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000156405040 463019737 /nfs/dbraw/zinc/01/97/37/463019737.db2.gz VMKLGLIHBYIZKQ-HNNXBMFYSA-N 1 0 335.404 2.164 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000068341682 463123910 /nfs/dbraw/zinc/12/39/10/463123910.db2.gz ANPGCQNRQYUKHI-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000158320176 463226130 /nfs/dbraw/zinc/22/61/30/463226130.db2.gz RESVWJRFJOSRRQ-UKRRQHHQSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055405514 463316859 /nfs/dbraw/zinc/31/68/59/463316859.db2.gz VWHMCGQEHKWCBA-ZIAGYGMSSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140000181 463334877 /nfs/dbraw/zinc/33/48/77/463334877.db2.gz MTFYVIBNGJBYCB-CKEIUWERSA-N 1 0 346.431 2.338 20 5 EEBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160920579 463382305 /nfs/dbraw/zinc/38/23/05/463382305.db2.gz CBBXXTHMBOYEPT-CYBMUJFWSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[NH+](C)C ZINC000033093536 463412331 /nfs/dbraw/zinc/41/23/31/463412331.db2.gz DIIJTBYMCKRFAH-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522203927 468361814 /nfs/dbraw/zinc/36/18/14/468361814.db2.gz KXCPZSLFWFIJQI-GFCCVEGCSA-N 1 0 349.387 2.318 20 5 EEBDRO Cc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000057705563 463509986 /nfs/dbraw/zinc/50/99/86/463509986.db2.gz QPEAAWMUOCKDJR-VIFPVBQESA-N 1 0 336.348 2.024 20 5 EEBDRO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000073617150 463633356 /nfs/dbraw/zinc/63/33/56/463633356.db2.gz TXBFOQILWFBMAL-UHFFFAOYSA-N 1 0 335.404 2.088 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109804599 463651048 /nfs/dbraw/zinc/65/10/48/463651048.db2.gz JXZGBXCGHYQKBE-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000110490845 463659546 /nfs/dbraw/zinc/65/95/46/463659546.db2.gz YYEAVZDSECVYIM-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000170741323 463701844 /nfs/dbraw/zinc/70/18/44/463701844.db2.gz CWFNDUXCLUTDFV-HNNXBMFYSA-N 1 0 343.387 2.315 20 5 EEBDRO COc1cc(C[N@H+](C)CCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000276681558 463717126 /nfs/dbraw/zinc/71/71/26/463717126.db2.gz QMNXVKVIOUXYBC-UHFFFAOYSA-N 1 0 348.346 2.452 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286967779 463756378 /nfs/dbraw/zinc/75/63/78/463756378.db2.gz GCCUGNDTFFGRRE-GOEBONIOSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000177731422 463778157 /nfs/dbraw/zinc/77/81/57/463778157.db2.gz FMNNRLSELKSJRL-GFCCVEGCSA-N 1 0 344.371 2.325 20 5 EEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194117341 463793587 /nfs/dbraw/zinc/79/35/87/463793587.db2.gz NRHHRQQSFDFXFM-UHFFFAOYSA-N 1 0 349.840 2.114 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000276884984 463793889 /nfs/dbraw/zinc/79/38/89/463793889.db2.gz JIXUTQCBOSMISI-OAHLLOKOSA-N 1 0 345.403 2.497 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000185415063 463819508 /nfs/dbraw/zinc/81/95/08/463819508.db2.gz KTEILQGDWNFBNF-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414390 463859130 /nfs/dbraw/zinc/85/91/30/463859130.db2.gz PAEGFSAQKTZRRW-MNOVXSKESA-N 1 0 335.360 2.430 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277117422 463879095 /nfs/dbraw/zinc/87/90/95/463879095.db2.gz YDUAVXMAQPQAHX-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H]1CN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523097474 468383755 /nfs/dbraw/zinc/38/37/55/468383755.db2.gz AXOSAJJJJTVAGR-SNVBAGLBSA-N 1 0 342.783 2.090 20 5 EEBDRO C[NH2+]CCC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000261983128 463917748 /nfs/dbraw/zinc/91/77/48/463917748.db2.gz ITWSMBSLHXUYAI-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1SC ZINC000261994971 463920166 /nfs/dbraw/zinc/92/01/66/463920166.db2.gz PIDYHYQQFFPAJZ-NXEZZACHSA-N 1 0 339.417 2.135 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000287546445 463923400 /nfs/dbraw/zinc/92/34/00/463923400.db2.gz WDCZIBOIOQNKHE-HNNXBMFYSA-N 1 0 347.415 2.438 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262271184 463987028 /nfs/dbraw/zinc/98/70/28/463987028.db2.gz SNPCLVWKJFNDKN-OAHLLOKOSA-N 1 0 341.367 2.220 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262280723 463990483 /nfs/dbraw/zinc/99/04/83/463990483.db2.gz XCBKNVLPECYDEK-TZMCWYRMSA-N 1 0 343.387 2.122 20 5 EEBDRO O=C1NCCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590971954 468388174 /nfs/dbraw/zinc/38/81/74/468388174.db2.gz ZHZOMXUUEAAKLJ-LBPRGKRZSA-N 1 0 346.412 2.334 20 5 EEBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000186931949 464081618 /nfs/dbraw/zinc/08/16/18/464081618.db2.gz WXACAORZSFWIKQ-WFASDCNBSA-N 1 0 331.372 2.495 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000279270218 464085977 /nfs/dbraw/zinc/08/59/77/464085977.db2.gz JCBIIQIJRYWLGS-OLZOCXBDSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000269770437 464087905 /nfs/dbraw/zinc/08/79/05/464087905.db2.gz ARNXZVRHZWSBSO-BXUZGUMPSA-N 1 0 332.360 2.380 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270046759 464169978 /nfs/dbraw/zinc/16/99/78/464169978.db2.gz FAWCFJUOVBTGLJ-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000270171241 464208101 /nfs/dbraw/zinc/20/81/01/464208101.db2.gz AHAARMBZIALRQI-CQSZACIVSA-N 1 0 340.387 2.306 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236639478 464216016 /nfs/dbraw/zinc/21/60/16/464216016.db2.gz VPODEJCIMIRWPZ-OAHLLOKOSA-N 1 0 345.403 2.226 20 5 EEBDRO COc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000237081561 464262173 /nfs/dbraw/zinc/26/21/73/464262173.db2.gz WMXHEJPBDLGHMC-GFCCVEGCSA-N 1 0 339.392 2.057 20 5 EEBDRO C[NH2+]CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237116584 464269098 /nfs/dbraw/zinc/26/90/98/464269098.db2.gz FQRSSEXODHNPKS-LBPRGKRZSA-N 1 0 343.387 2.112 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1C ZINC000188616134 464325388 /nfs/dbraw/zinc/32/53/88/464325388.db2.gz SUOAURBLHFVLJS-UONOGXRCSA-N 1 0 333.388 2.221 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264494196 464349777 /nfs/dbraw/zinc/34/97/77/464349777.db2.gz JPGVYFXNQPKGKA-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000188814254 464375639 /nfs/dbraw/zinc/37/56/39/464375639.db2.gz HYSMIFJRMARJDK-UHFFFAOYSA-N 1 0 336.392 2.055 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264627282 464400065 /nfs/dbraw/zinc/40/00/65/464400065.db2.gz SVDSVBBHRVSAKT-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000238089894 464431356 /nfs/dbraw/zinc/43/13/56/464431356.db2.gz PIUOJKTYXXODRM-LLVKDONJSA-N 1 0 347.293 2.003 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181714388 464523054 /nfs/dbraw/zinc/52/30/54/464523054.db2.gz AHQYPASLJCOIML-UHFFFAOYSA-N 1 0 331.319 2.314 20 5 EEBDRO C[NH+](C)CC1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281636971 464530609 /nfs/dbraw/zinc/53/06/09/464530609.db2.gz HDEFYLUGCLRKFJ-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971464 464574898 /nfs/dbraw/zinc/57/48/98/464574898.db2.gz NTMNHHZOYFBRQN-RDJZCZTQSA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)c(Cl)c1 ZINC000265526374 464592060 /nfs/dbraw/zinc/59/20/60/464592060.db2.gz SRFPWGVVUMBOOU-UHFFFAOYSA-N 1 0 340.811 2.192 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285613276 464627934 /nfs/dbraw/zinc/62/79/34/464627934.db2.gz WBABZRDXYADWRL-YIONKMFJSA-N 1 0 346.431 2.480 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000265806737 464693089 /nfs/dbraw/zinc/69/30/89/464693089.db2.gz SAAUZNRCWNWBKA-JKSUJKDBSA-N 1 0 342.399 2.285 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000273219773 464709779 /nfs/dbraw/zinc/70/97/79/464709779.db2.gz UXSXJKYATFKEBF-ZDUSSCGKSA-N 1 0 334.397 2.454 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000273870663 464727266 /nfs/dbraw/zinc/72/72/66/464727266.db2.gz QAQJLXZRBXXHCQ-IAGOWNOFSA-N 1 0 330.388 2.379 20 5 EEBDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288444 464739555 /nfs/dbraw/zinc/73/95/55/464739555.db2.gz OSYNDPBXHQRDBT-SPSFWMDKSA-N 1 0 336.417 2.222 20 5 EEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000249097904 464839610 /nfs/dbraw/zinc/83/96/10/464839610.db2.gz IUZXVABBJSGHQK-ZLENFMNRSA-N 1 0 335.404 2.305 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000282540611 464857519 /nfs/dbraw/zinc/85/75/19/464857519.db2.gz VZYPEBSNGIYVRV-ZDUSSCGKSA-N 1 0 345.321 2.232 20 5 EEBDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])Cc2ccccc2C1 ZINC000295751508 464952735 /nfs/dbraw/zinc/95/27/35/464952735.db2.gz HAUKLIAQDDVTHI-UHFFFAOYSA-N 1 0 333.432 2.037 20 5 EEBDRO [NH3+]C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000358799248 465329104 /nfs/dbraw/zinc/32/91/04/465329104.db2.gz MJEUXRFCVPKBKO-KRWDZBQOSA-N 1 0 343.358 2.361 20 5 EEBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593908645 468429795 /nfs/dbraw/zinc/42/97/95/468429795.db2.gz CAMNNMRKIBAQTG-AWEZNQCLSA-N 1 0 347.415 2.354 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339581205 465363007 /nfs/dbraw/zinc/36/30/07/465363007.db2.gz AHJJEBNNSIDIGG-VXGBXAGGSA-N 1 0 326.324 2.127 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000593918128 468432389 /nfs/dbraw/zinc/43/23/89/468432389.db2.gz AUXBZHDXOSIVAQ-UPJWGTAASA-N 1 0 339.417 2.157 20 5 EEBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000353032683 465591639 /nfs/dbraw/zinc/59/16/39/465591639.db2.gz HHRHRYIHDIAMLF-UHFFFAOYSA-N 1 0 339.351 2.371 20 5 EEBDRO COC[C@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000353078041 465619313 /nfs/dbraw/zinc/61/93/13/465619313.db2.gz GNTNSIFKBJTREM-HNNXBMFYSA-N 1 0 345.399 2.460 20 5 EEBDRO COC(=O)c1cc(NC(=O)c2ccc3c[nH+]cn3c2)cc([N+](=O)[O-])c1 ZINC000339950728 465628940 /nfs/dbraw/zinc/62/89/40/465628940.db2.gz HXJZMVOJHCYSBI-UHFFFAOYSA-N 1 0 340.295 2.281 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348519735 465649112 /nfs/dbraw/zinc/64/91/12/465649112.db2.gz FTRXESYJJLTTFE-NQBHXWOUSA-N 1 0 346.330 2.084 20 5 EEBDRO CCOC[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344552245 465669136 /nfs/dbraw/zinc/66/91/36/465669136.db2.gz MJSWVNSNSJKAPR-CQSZACIVSA-N 1 0 337.401 2.205 20 5 EEBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348229 465670117 /nfs/dbraw/zinc/67/01/17/465670117.db2.gz GBWULYKBJADEHN-UHFFFAOYSA-N 1 0 348.378 2.786 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000361011772 465701158 /nfs/dbraw/zinc/70/11/58/465701158.db2.gz DBEICSIDDSLVTC-CHWSQXEVSA-N 1 0 339.465 2.136 20 5 EEBDRO Cc1cccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000366434154 465724927 /nfs/dbraw/zinc/72/49/27/465724927.db2.gz GWLVXGCZWGLIQG-FVQBIDKESA-N 1 0 347.415 2.227 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357065944 465739201 /nfs/dbraw/zinc/73/92/01/465739201.db2.gz ATXDBWSRWFFSJF-HIFRSBDPSA-N 1 0 346.431 2.243 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011018 468449851 /nfs/dbraw/zinc/44/98/51/468449851.db2.gz UDAXVAUZEBONKP-DOTOQJQBSA-N 1 0 331.372 2.470 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000330676978 465757844 /nfs/dbraw/zinc/75/78/44/465757844.db2.gz JBMDDKMVVKSKCQ-INIZCTEOSA-N 1 0 349.431 2.471 20 5 EEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000330706739 465770402 /nfs/dbraw/zinc/77/04/02/465770402.db2.gz LZHSFYIPEAVQST-OCCSQVGLSA-N 1 0 325.384 2.011 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591354641 468456009 /nfs/dbraw/zinc/45/60/09/468456009.db2.gz JRCAMCPLYBVDMO-GUTXKFCHSA-N 1 0 332.404 2.358 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348851624 465838703 /nfs/dbraw/zinc/83/87/03/465838703.db2.gz XESYDVHQKSCSFS-NSHDSACASA-N 1 0 346.387 2.309 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000345318002 465854061 /nfs/dbraw/zinc/85/40/61/465854061.db2.gz LJSTYAPYKCNZCM-QMTHXVAHSA-N 1 0 344.371 2.061 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CO ZINC000594016859 468461190 /nfs/dbraw/zinc/46/11/90/468461190.db2.gz LUVZALXCTAAUEM-HNNXBMFYSA-N 1 0 335.404 2.469 20 5 EEBDRO CC(C)[N@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495560 465930629 /nfs/dbraw/zinc/93/06/29/465930629.db2.gz IPKQGFLLGDHRJR-MRXNPFEDSA-N 1 0 331.420 2.348 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000353498949 465935038 /nfs/dbraw/zinc/93/50/38/465935038.db2.gz SFWXOHVHJUUGHX-HZPDHXFCSA-N 1 0 329.404 2.102 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170545 465958101 /nfs/dbraw/zinc/95/81/01/465958101.db2.gz AOILASFMYSFRSW-YNEHKIRRSA-N 1 0 349.435 2.244 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000353555753 465974282 /nfs/dbraw/zinc/97/42/82/465974282.db2.gz WESIZEMXMFAIOB-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000301657126 466003726 /nfs/dbraw/zinc/00/37/26/466003726.db2.gz SGJDKSINELSBKF-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301746605 466022072 /nfs/dbraw/zinc/02/20/72/466022072.db2.gz QADMZXPFYOZOKU-LBPRGKRZSA-N 1 0 328.800 2.412 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302660404 466162652 /nfs/dbraw/zinc/16/26/52/466162652.db2.gz AVYFQNQEYVMYDK-RYUDHWBXSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000349953520 466326139 /nfs/dbraw/zinc/32/61/39/466326139.db2.gz UZRDMUZSYNKULP-ZDUSSCGKSA-N 1 0 334.420 2.298 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3COCCO3)o2)c([N+](=O)[O-])c1 ZINC000338715422 466330712 /nfs/dbraw/zinc/33/07/12/466330712.db2.gz DWKWCBMAMMXUOB-AWEZNQCLSA-N 1 0 348.355 2.368 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578258 468486112 /nfs/dbraw/zinc/48/61/12/468486112.db2.gz HVOUMQJVLWXTRC-GDBMZVCRSA-N 1 0 329.404 2.149 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000597236091 468490673 /nfs/dbraw/zinc/49/06/73/468490673.db2.gz NVVPODRXNDQJNA-ACJLOTCBSA-N 1 0 344.415 2.446 20 5 EEBDRO COc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000332229946 466458268 /nfs/dbraw/zinc/45/82/68/466458268.db2.gz PSSYHEOBRIUVQJ-OCCSQVGLSA-N 1 0 333.388 2.160 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC000332300399 466496439 /nfs/dbraw/zinc/49/64/39/466496439.db2.gz VHCRZGIBZLMQDY-UHFFFAOYSA-N 1 0 330.388 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000347280875 466532080 /nfs/dbraw/zinc/53/20/80/466532080.db2.gz TUNKNPZAHBPHOR-UHFFFAOYSA-N 1 0 342.399 3.077 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000347327993 466569196 /nfs/dbraw/zinc/56/91/96/466569196.db2.gz YMFFIINLRANZSS-CQSZACIVSA-N 1 0 333.388 2.350 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681284 468502335 /nfs/dbraw/zinc/50/23/35/468502335.db2.gz BJMBYRKZUYAZFZ-UHFFFAOYSA-N 1 0 342.355 2.287 20 5 EEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000325101384 466653828 /nfs/dbraw/zinc/65/38/28/466653828.db2.gz SQINVKOHFXNQRW-LBPRGKRZSA-N 1 0 347.396 2.236 20 5 EEBDRO [NH3+][C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000423487422 466756870 /nfs/dbraw/zinc/75/68/70/466756870.db2.gz XETQGHGBORDHSK-SNVBAGLBSA-N 1 0 329.809 2.194 20 5 EEBDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000411385358 466818666 /nfs/dbraw/zinc/81/86/66/466818666.db2.gz OOEDFEQCKXFEMO-UHFFFAOYSA-N 1 0 349.387 2.341 20 5 EEBDRO C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC000423823539 466858748 /nfs/dbraw/zinc/85/87/48/466858748.db2.gz IETUEHCKJKASHV-PXAZEXFGSA-N 1 0 340.383 2.211 20 5 EEBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000423945223 466923461 /nfs/dbraw/zinc/92/34/61/466923461.db2.gz IDOAKOJTERPXOI-LJQANCHMSA-N 1 0 349.434 2.350 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424021928 466954897 /nfs/dbraw/zinc/95/48/97/466954897.db2.gz SJZNDEZBTQGUFX-UHFFFAOYSA-N 1 0 331.825 2.408 20 5 EEBDRO O=C(CN1CC[C@](O)(C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365839197 466958149 /nfs/dbraw/zinc/95/81/49/466958149.db2.gz QTXAHLLPOYYVDY-OAHLLOKOSA-N 1 0 339.779 2.034 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000424046185 466962415 /nfs/dbraw/zinc/96/24/15/466962415.db2.gz VHXNWWYUKGJUGX-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424048726 466963248 /nfs/dbraw/zinc/96/32/48/466963248.db2.gz ZITRBBBTZMBFCA-INIZCTEOSA-N 1 0 347.415 2.454 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417931287 466990235 /nfs/dbraw/zinc/99/02/35/466990235.db2.gz BZUIBMCWNFRQQU-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000412092579 467004403 /nfs/dbraw/zinc/00/44/03/467004403.db2.gz RHELPMPGZHZNOS-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412092577 467004908 /nfs/dbraw/zinc/00/49/08/467004908.db2.gz RHELPMPGZHZNOS-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000412173985 467031316 /nfs/dbraw/zinc/03/13/16/467031316.db2.gz WCFFXNZWTZWBQC-UXLLHSPISA-N 1 0 349.456 2.252 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000412242370 467048371 /nfs/dbraw/zinc/04/83/71/467048371.db2.gz DCVORKRDGPLQKB-XLNGHYISSA-N 1 0 329.400 2.251 20 5 EEBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425488950 467098601 /nfs/dbraw/zinc/09/86/01/467098601.db2.gz XNASANSUUSJCRF-INIZCTEOSA-N 1 0 334.420 2.195 20 5 EEBDRO CC[NH+]1CCN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413055229 467162025 /nfs/dbraw/zinc/16/20/25/467162025.db2.gz QKHLZVNNUMWQNU-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000378170222 467218556 /nfs/dbraw/zinc/21/85/56/467218556.db2.gz LQVSHKQWNNCFOL-ZBFHGGJFSA-N 1 0 339.823 2.279 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000378182615 467221860 /nfs/dbraw/zinc/22/18/60/467221860.db2.gz KVGCTCSLJUZCIP-UHFFFAOYSA-N 1 0 341.367 2.412 20 5 EEBDRO CCn1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056600 467287618 /nfs/dbraw/zinc/28/76/18/467287618.db2.gz ZMLRUIORNDLVEU-CABCVRRESA-N 1 0 345.403 2.246 20 5 EEBDRO CC[NH2+]CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420199580 467319992 /nfs/dbraw/zinc/31/99/92/467319992.db2.gz DIXPSLRJFYROAH-UHFFFAOYSA-N 1 0 331.376 2.471 20 5 EEBDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305125 467322895 /nfs/dbraw/zinc/32/28/95/467322895.db2.gz ZOISHQSQNSISOB-FZMZJTMJSA-N 1 0 341.367 2.384 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452118676 467330064 /nfs/dbraw/zinc/33/00/64/467330064.db2.gz PDGJZDHUGWIWTI-CQSZACIVSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420368438 467381000 /nfs/dbraw/zinc/38/10/00/467381000.db2.gz AQTLLYRSYKFCNN-CJNGLKHVSA-N 1 0 344.419 2.352 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000429974309 467387946 /nfs/dbraw/zinc/38/79/46/467387946.db2.gz OVNZPOCCHHWOIU-GFCCVEGCSA-N 1 0 335.404 2.245 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000434570812 467409859 /nfs/dbraw/zinc/40/98/59/467409859.db2.gz ANFVMUATHOASPL-CYBMUJFWSA-N 1 0 333.388 2.343 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000420468633 467417659 /nfs/dbraw/zinc/41/76/59/467417659.db2.gz YFEDBRVPTSRNFS-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420584049 467428925 /nfs/dbraw/zinc/42/89/25/467428925.db2.gz KGEXPHFEBCWRSV-STQMWFEESA-N 1 0 334.420 2.474 20 5 EEBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000435379714 467464919 /nfs/dbraw/zinc/46/49/19/467464919.db2.gz KHRAZUHEADHADO-MLGOLLRUSA-N 1 0 329.404 2.164 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415307725 467540310 /nfs/dbraw/zinc/54/03/10/467540310.db2.gz ZBYIQPDHDQXCGM-LLVKDONJSA-N 1 0 328.319 2.330 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000442596313 467576052 /nfs/dbraw/zinc/57/60/52/467576052.db2.gz IPMDJTGGBGQLBX-NSHDSACASA-N 1 0 344.371 2.050 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449568438 467663650 /nfs/dbraw/zinc/66/36/50/467663650.db2.gz ZHJMJNBFUBGDBW-UWVGGRQHSA-N 1 0 329.784 2.259 20 5 EEBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449598659 467668083 /nfs/dbraw/zinc/66/80/83/467668083.db2.gz COTGSEDKPVLKOE-NSHDSACASA-N 1 0 347.371 2.478 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449686496 467689025 /nfs/dbraw/zinc/68/90/25/467689025.db2.gz YTGYKVGMAVTIGL-CQSZACIVSA-N 1 0 343.387 2.043 20 5 EEBDRO CCn1ccnc1C=CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000492831833 467766701 /nfs/dbraw/zinc/76/67/01/467766701.db2.gz MCPHKYSYPOZEHW-WAYWQWQTSA-N 1 0 326.316 2.339 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450199133 467797607 /nfs/dbraw/zinc/79/76/07/467797607.db2.gz UEPADZIFADHCDV-UHFFFAOYSA-N 1 0 345.403 2.193 20 5 EEBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000450217617 467800693 /nfs/dbraw/zinc/80/06/93/467800693.db2.gz UTLIGZZFCIXLOF-AWEZNQCLSA-N 1 0 331.376 2.417 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487225037 468029250 /nfs/dbraw/zinc/02/92/50/468029250.db2.gz VXMLCWGKIYGDCE-ZWNOBZJWSA-N 1 0 325.796 2.105 20 5 EEBDRO C[C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)n1ccnc1 ZINC000516774289 468045979 /nfs/dbraw/zinc/04/59/79/468045979.db2.gz LKMCGDANGOYFTI-AWEZNQCLSA-N 1 0 343.387 2.091 20 5 EEBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487956549 468062892 /nfs/dbraw/zinc/06/28/92/468062892.db2.gz LTPLRJJNDNSSPB-CZUORRHYSA-N 1 0 334.420 2.194 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753699 468102289 /nfs/dbraw/zinc/10/22/89/468102289.db2.gz NDNVWQJDFRWZQK-HEHGZKQESA-N 1 0 346.431 2.121 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000548889074 468153775 /nfs/dbraw/zinc/15/37/75/468153775.db2.gz KUPPNPWVGBLBBC-OAHLLOKOSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590541084 468268903 /nfs/dbraw/zinc/26/89/03/468268903.db2.gz BYBSJGLIIBJMFV-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199287 468510449 /nfs/dbraw/zinc/51/04/49/468510449.db2.gz JJWUDGSQWXHAPG-CVEARBPZSA-N 1 0 333.388 2.107 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000594592161 468629705 /nfs/dbraw/zinc/62/97/05/468629705.db2.gz PJIRKLFJNZNLOG-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600714128 468630236 /nfs/dbraw/zinc/63/02/36/468630236.db2.gz PKPQYFLDAPDETE-CQSZACIVSA-N 1 0 340.811 2.117 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000594596539 468630864 /nfs/dbraw/zinc/63/08/64/468630864.db2.gz ANQLUUJNPQVLLZ-DGCLKSJQSA-N 1 0 334.376 2.205 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000592140013 468634466 /nfs/dbraw/zinc/63/44/66/468634466.db2.gz SYENEIWQCWTTSX-NVXWUHKLSA-N 1 0 343.383 2.219 20 5 EEBDRO CN(CC(=O)N1CC[NH2+]C2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000594628691 468640114 /nfs/dbraw/zinc/64/01/14/468640114.db2.gz AOOCPUVIENIPHD-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO O=[N+]([O-])c1cc(CNC[C@H](O)C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000600733603 468641912 /nfs/dbraw/zinc/64/19/12/468641912.db2.gz KWHLWQFKJJVINS-AWEZNQCLSA-N 1 0 347.337 2.160 20 5 EEBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000600783916 468657591 /nfs/dbraw/zinc/65/75/91/468657591.db2.gz XQEDFASXZOGCOU-UHFFFAOYSA-N 1 0 327.384 2.159 20 5 EEBDRO O=C(CC[N@@H+]1CCOC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000570568100 468658039 /nfs/dbraw/zinc/65/80/39/468658039.db2.gz HIHURKHRCBSDEL-MRXNPFEDSA-N 1 0 333.388 2.424 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C[N@@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000600817935 468665641 /nfs/dbraw/zinc/66/56/41/468665641.db2.gz VBRILEQLTFYXIK-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375626 468685664 /nfs/dbraw/zinc/68/56/64/468685664.db2.gz XDDFXNCYXSQSPK-AAEUAGOBSA-N 1 0 326.393 2.499 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000592428845 468696379 /nfs/dbraw/zinc/69/63/79/468696379.db2.gz ZXNGDQRQYKLTND-SJCJKPOMSA-N 1 0 331.372 2.403 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961905 468732235 /nfs/dbraw/zinc/73/22/35/468732235.db2.gz PAGJSYFJEPQWLS-VJBOLBCHSA-N 1 0 326.418 2.383 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000595022786 468744570 /nfs/dbraw/zinc/74/45/70/468744570.db2.gz VYKCMBAUHUHTPE-QWRGUYRKSA-N 1 0 330.406 2.077 20 5 EEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595117006 468762891 /nfs/dbraw/zinc/76/28/91/468762891.db2.gz BWNJAZRIQQHAET-IUODEOHRSA-N 1 0 341.433 2.123 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598344086 468837635 /nfs/dbraw/zinc/83/76/35/468837635.db2.gz ZTCICGBIILJRBJ-AWEZNQCLSA-N 1 0 333.388 2.158 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058775 468855789 /nfs/dbraw/zinc/85/57/89/468855789.db2.gz OJUSVFIBCMDXJD-QLFBSQMISA-N 1 0 338.404 2.224 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543086 468894706 /nfs/dbraw/zinc/89/47/06/468894706.db2.gz IPAJDWWIUGUZOH-GOSISDBHSA-N 1 0 343.358 2.363 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598540461 468906590 /nfs/dbraw/zinc/90/65/90/468906590.db2.gz KAJBWRLJLSZEIN-UHFFFAOYSA-N 1 0 331.416 2.376 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602687595 469010846 /nfs/dbraw/zinc/01/08/46/469010846.db2.gz NZEPLPQFCYBIDO-SNVBAGLBSA-N 1 0 331.294 2.229 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598913869 469047096 /nfs/dbraw/zinc/04/70/96/469047096.db2.gz QKKYTBUMQPXONX-UHFFFAOYSA-N 1 0 340.355 2.096 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602782887 469070865 /nfs/dbraw/zinc/07/08/65/469070865.db2.gz XZFHCGWDOQZVCV-HNNXBMFYSA-N 1 0 343.431 2.306 20 5 EEBDRO C[C@@H](CC1CCC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610805416 469076141 /nfs/dbraw/zinc/07/61/41/469076141.db2.gz PCYYOBJUUWYDPH-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC[C@@H]([NH2+]C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595922430 469085679 /nfs/dbraw/zinc/08/56/79/469085679.db2.gz QQVGOQKVBKLHJJ-SNVBAGLBSA-N 1 0 348.325 2.140 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587185714 469086568 /nfs/dbraw/zinc/08/65/68/469086568.db2.gz WOMAPLVQDAVECY-LBPRGKRZSA-N 1 0 347.419 2.072 20 5 EEBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000602807625 469089467 /nfs/dbraw/zinc/08/94/67/469089467.db2.gz ZCYMFQGBZRLNML-AWEZNQCLSA-N 1 0 340.330 2.355 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595984611 469106399 /nfs/dbraw/zinc/10/63/99/469106399.db2.gz WWCYECBKOBQZHK-VIFPVBQESA-N 1 0 348.325 2.140 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000602836833 469108382 /nfs/dbraw/zinc/10/83/82/469108382.db2.gz GTIQJTNSKIRKAK-UHFFFAOYSA-N 1 0 344.415 2.481 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]CC2)c(F)c1N1CCOCC1 ZINC000601983812 469128863 /nfs/dbraw/zinc/12/88/63/469128863.db2.gz OUXXBMGIODCPNM-LBPRGKRZSA-N 1 0 338.383 2.125 20 5 EEBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)ncn1 ZINC000611337271 469230555 /nfs/dbraw/zinc/23/05/55/469230555.db2.gz OFDZLFHPLDYAIF-LBPRGKRZSA-N 1 0 329.360 2.200 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596488258 469282000 /nfs/dbraw/zinc/28/20/00/469282000.db2.gz PFNFPUUTFGOHPO-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO CO[C@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000602475708 469332343 /nfs/dbraw/zinc/33/23/43/469332343.db2.gz YKJGPGUKQGKOCM-GOSISDBHSA-N 1 0 347.415 2.168 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602517973 469346652 /nfs/dbraw/zinc/34/66/52/469346652.db2.gz IPFOPAHQSQVKII-UHFFFAOYSA-N 1 0 343.383 2.166 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602519182 469347568 /nfs/dbraw/zinc/34/75/68/469347568.db2.gz UNNFMPWKUZGJMT-UHFFFAOYSA-N 1 0 330.182 2.167 20 5 EEBDRO Cn1cc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602522594 469349076 /nfs/dbraw/zinc/34/90/76/469349076.db2.gz UIJAKNBWOIIVKO-UHFFFAOYSA-N 1 0 345.222 2.485 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(O)c3)CC2)cn1 ZINC000602526312 469349481 /nfs/dbraw/zinc/34/94/81/469349481.db2.gz JCFNMKDWYPMHLD-UHFFFAOYSA-N 1 0 328.372 2.454 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000616014449 469353810 /nfs/dbraw/zinc/35/38/10/469353810.db2.gz VISAUQUPSWOEFL-WBVHZDCISA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000603403161 469379939 /nfs/dbraw/zinc/37/99/39/469379939.db2.gz SAUSQHSPRPNIEN-NSHDSACASA-N 1 0 340.811 2.333 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCOCC2(CCC2)C1 ZINC000612746461 469541386 /nfs/dbraw/zinc/54/13/86/469541386.db2.gz GWBDWNMLODUXRO-UHFFFAOYSA-N 1 0 333.388 2.344 20 5 EEBDRO Cc1cccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000619431462 469604152 /nfs/dbraw/zinc/60/41/52/469604152.db2.gz PRFGAYJRJOGWPT-UHFFFAOYSA-N 1 0 329.356 2.402 20 5 EEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000619527161 469632395 /nfs/dbraw/zinc/63/23/95/469632395.db2.gz PBRWYROVLNFSRJ-CHWSQXEVSA-N 1 0 328.347 2.452 20 5 EEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000609442435 469927479 /nfs/dbraw/zinc/92/74/79/469927479.db2.gz FBJYXGACLPHYBT-UHFFFAOYSA-N 1 0 330.319 2.091 20 5 EEBDRO COc1ccc(OCCN2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000610391083 470009552 /nfs/dbraw/zinc/00/95/52/470009552.db2.gz ORMVWZXPUPFSQL-AWEZNQCLSA-N 1 0 337.420 2.445 20 5 EEBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595634368 485607730 /nfs/dbraw/zinc/60/77/30/485607730.db2.gz JETJQDMMLPGPHL-DVOMOZLQSA-N 1 0 333.388 2.016 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602540610 485643133 /nfs/dbraw/zinc/64/31/33/485643133.db2.gz LKEDNDRMBQGQCL-VXGBXAGGSA-N 1 0 345.321 2.123 20 5 EEBDRO C[C@@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000184013279 533743726 /nfs/dbraw/zinc/74/37/26/533743726.db2.gz IHKVIQVCEOUVTD-JTQLQIEISA-N 1 0 334.401 2.386 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-n2cccn2)c1 ZINC000183566077 533876411 /nfs/dbraw/zinc/87/64/11/533876411.db2.gz QYYGUAAZMWLYKQ-ZDUSSCGKSA-N 1 0 326.360 2.328 20 5 EEBDRO COc1cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000132158467 533881877 /nfs/dbraw/zinc/88/18/77/533881877.db2.gz GACPHTFTADIYQX-SFHVURJKSA-N 1 0 344.367 2.233 20 5 EEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181895155 534252838 /nfs/dbraw/zinc/25/28/38/534252838.db2.gz RPPGQIFDFAEPST-AGIUHOORSA-N 1 0 326.418 2.160 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192651537 527845923 /nfs/dbraw/zinc/84/59/23/527845923.db2.gz BEWCYEKWUQPQDF-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246681041 535524621 /nfs/dbraw/zinc/52/46/21/535524621.db2.gz CFFHNZZNWHDDGB-YOEHRIQHSA-N 1 0 349.431 2.462 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000425043783 536488436 /nfs/dbraw/zinc/48/84/36/536488436.db2.gz GKKJKNXUCWWHLX-MEDUHNTESA-N 1 0 328.372 2.242 20 5 EEBDRO CCCC[N@H+](CC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726585221 576277655 /nfs/dbraw/zinc/27/76/55/576277655.db2.gz VSWTUSULVYLMRQ-UHFFFAOYSA-N 1 0 334.376 2.443 20 5 EEBDRO C[C@H]1COCCN1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000729545097 576664356 /nfs/dbraw/zinc/66/43/56/576664356.db2.gz AONMXJLTWYNOLF-JTQLQIEISA-N 1 0 342.783 2.090 20 5 EEBDRO CC[NH+]1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729630342 576669889 /nfs/dbraw/zinc/66/98/89/576669889.db2.gz FGZWGWFFTOWYEE-UHFFFAOYSA-N 1 0 335.433 2.254 20 5 EEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000775022445 577426718 /nfs/dbraw/zinc/42/67/18/577426718.db2.gz ZPCPGAPOMDJUOX-INIZCTEOSA-N 1 0 344.367 2.498 20 5 EEBDRO CCOC(=O)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579786 577463085 /nfs/dbraw/zinc/46/30/85/577463085.db2.gz QKBYTDRRRZWZBZ-INIZCTEOSA-N 1 0 336.388 2.293 20 5 EEBDRO COC(=O)C[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000766892240 577526510 /nfs/dbraw/zinc/52/65/10/577526510.db2.gz FTCSWYWNGAZXJG-GFCCVEGCSA-N 1 0 326.324 2.174 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCn2cncc2C1 ZINC000750906513 577744950 /nfs/dbraw/zinc/74/49/50/577744950.db2.gz ZRDPBNYVTFKOCX-SNVBAGLBSA-N 1 0 334.763 2.324 20 5 EEBDRO CCc1oncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020658675 675359916 /nfs/dbraw/zinc/35/99/16/675359916.db2.gz ZASVTLGEEXEDDV-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ncccc1F ZINC001020813546 675511118 /nfs/dbraw/zinc/51/11/18/675511118.db2.gz FWVVSLRNIJMKBY-JOCQHMNTSA-N 1 0 344.346 2.180 20 5 EEBDRO CCn1cnc2c1CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000933253312 676529424 /nfs/dbraw/zinc/52/94/24/676529424.db2.gz DHTSHPXLHXOIDR-UHFFFAOYSA-N 1 0 343.387 2.198 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021999457 676575982 /nfs/dbraw/zinc/57/59/82/676575982.db2.gz BGEOUUOLAIUTMT-GASCZTMLSA-N 1 0 329.356 2.167 20 5 EEBDRO CC[NH+]1CCC(N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891683292 676772609 /nfs/dbraw/zinc/77/26/09/676772609.db2.gz SGUSYYPUXKXVOB-UHFFFAOYSA-N 1 0 344.415 2.367 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsn1 ZINC001022262395 676775263 /nfs/dbraw/zinc/77/52/63/676775263.db2.gz VALQGKHJTITAHS-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nccn3C3CC3)C2)nc1 ZINC000892078150 677977382 /nfs/dbraw/zinc/97/73/82/677977382.db2.gz IEQRJZWZEJZIHY-LBPRGKRZSA-N 1 0 328.376 2.208 20 5 EEBDRO Cn1cc(CN2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262056453 678232905 /nfs/dbraw/zinc/23/29/05/678232905.db2.gz QSAYJNVEAXOZHG-SFHVURJKSA-N 1 0 341.415 2.181 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ncccc1F ZINC001022887594 678724261 /nfs/dbraw/zinc/72/42/61/678724261.db2.gz FWVVSLRNIJMKBY-BETUJISGSA-N 1 0 344.346 2.180 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000050900031 679477594 /nfs/dbraw/zinc/47/75/94/679477594.db2.gz MKCNCENZINYTPB-CQSZACIVSA-N 1 0 345.403 2.140 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1C ZINC000894371263 682682159 /nfs/dbraw/zinc/68/21/59/682682159.db2.gz BLUTXJJFQOPHTM-UONOGXRCSA-N 1 0 347.415 2.468 20 5 EEBDRO COC(=O)[C@H]1[C@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1(F)F ZINC000894421741 682886393 /nfs/dbraw/zinc/88/63/93/682886393.db2.gz YCLGCNZONWTEHU-CMPLNLGQSA-N 1 0 348.733 2.435 20 5 EEBDRO COc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000892775354 683030432 /nfs/dbraw/zinc/03/04/32/683030432.db2.gz ZMSYBXFAWPFAEU-QGZVFWFLSA-N 1 0 333.388 2.126 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1ccccc1 ZINC001025656175 683222248 /nfs/dbraw/zinc/22/22/48/683222248.db2.gz XHINYSMXVCOPRS-VQFNDLOPSA-N 1 0 337.379 2.455 20 5 EEBDRO O=C(CC1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025718022 683246162 /nfs/dbraw/zinc/24/61/62/683246162.db2.gz NELBNWXAOQJUQT-VQFNDLOPSA-N 1 0 329.400 2.331 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1(C2CC2)CC1 ZINC001025815875 683304314 /nfs/dbraw/zinc/30/43/14/683304314.db2.gz VJKFIYLTKYJBFX-QLPKVWCKSA-N 1 0 341.411 2.331 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000909437628 683738375 /nfs/dbraw/zinc/73/83/75/683738375.db2.gz CENBUIBILSUOOT-LLVKDONJSA-N 1 0 340.811 2.385 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915130093 684056755 /nfs/dbraw/zinc/05/67/55/684056755.db2.gz XPSHQGYLMFQZIU-UHFFFAOYSA-N 1 0 332.360 2.279 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000123714414 684806290 /nfs/dbraw/zinc/80/62/90/684806290.db2.gz QRMCVJDINRBBGI-UHFFFAOYSA-N 1 0 349.840 2.223 20 5 EEBDRO C[C@@H](C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893386445 685166711 /nfs/dbraw/zinc/16/67/11/685166711.db2.gz UDUCXTXJENDNCM-UONOGXRCSA-N 1 0 336.388 2.352 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001059649880 687713795 /nfs/dbraw/zinc/71/37/95/687713795.db2.gz QTYNENOMCSLFBG-GASCZTMLSA-N 1 0 332.404 2.058 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421086 694394369 /nfs/dbraw/zinc/39/43/69/694394369.db2.gz ODKLYLGKBWTBNM-CMPLNLGQSA-N 1 0 327.331 2.238 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237458278 691194866 /nfs/dbraw/zinc/19/48/66/691194866.db2.gz POIZFOUKPCAHNT-ONGXEEELSA-N 1 0 347.824 2.139 20 5 EEBDRO Cc1c(Br)c(N2CC[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000261577195 1176523626 /nfs/dbraw/zinc/52/36/26/1176523626.db2.gz CNIXHYNWRGKWMB-GFCCVEGCSA-N 1 0 329.198 2.236 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000905698501 1189893269 /nfs/dbraw/zinc/89/32/69/1189893269.db2.gz VACXVODEGILGRK-CYBMUJFWSA-N 1 0 344.371 2.111 20 5 EEBDRO CN(C(=O)c1ncc[nH]1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005364653 1195282445 /nfs/dbraw/zinc/28/24/45/1195282445.db2.gz HLYQVSZQTOHAEK-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO CC1(C)CC(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C1 ZINC001034815755 1196771463 /nfs/dbraw/zinc/77/14/63/1196771463.db2.gz DWMJBWNUUBERMF-IAGOWNOFSA-N 1 0 345.443 2.494 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000872247777 1198110399 /nfs/dbraw/zinc/11/03/99/1198110399.db2.gz NKGOBSZJYRHUEQ-LBPRGKRZSA-N 1 0 344.293 2.133 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2c[nH]nc21 ZINC001132186304 1199422206 /nfs/dbraw/zinc/42/22/06/1199422206.db2.gz ICUXOEVSNGGZML-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810315572 1199448633 /nfs/dbraw/zinc/44/86/33/1199448633.db2.gz BVAGSSSEVOTAQF-LSDHHAIUSA-N 1 0 348.403 2.142 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000810847706 1199777726 /nfs/dbraw/zinc/77/77/26/1199777726.db2.gz PTQXRBPCCNSZKA-WDEREUQCSA-N 1 0 334.328 2.107 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289336 1199896223 /nfs/dbraw/zinc/89/62/23/1199896223.db2.gz RSJGFARJRWPAIO-TUKIKUTGSA-N 1 0 335.429 2.428 20 5 EEBDRO C[C@H](Cc1cccs1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831847 1200136210 /nfs/dbraw/zinc/13/62/10/1200136210.db2.gz AUNFLIOLYIMNNE-HFBAOOFYSA-N 1 0 336.413 2.271 20 5 EEBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000795118856 1200628236 /nfs/dbraw/zinc/62/82/36/1200628236.db2.gz AMTDJFAXRMDFNE-RDTXWAMCSA-N 1 0 333.432 2.434 20 5 EEBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000868072750 1201738563 /nfs/dbraw/zinc/73/85/63/1201738563.db2.gz DMTFQCUFNAAHHR-QGZVFWFLSA-N 1 0 332.404 2.148 20 5 EEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000884361010 1202301485 /nfs/dbraw/zinc/30/14/85/1202301485.db2.gz KFCKQLBNPFFCAR-RYUDHWBXSA-N 1 0 329.759 2.172 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000884856026 1202366586 /nfs/dbraw/zinc/36/65/86/1202366586.db2.gz XXVNHXQVEQJNFI-NSHDSACASA-N 1 0 344.400 2.414 20 5 EEBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886216029 1202481257 /nfs/dbraw/zinc/48/12/57/1202481257.db2.gz VOCBMRQYVHTQDR-SFHVURJKSA-N 1 0 341.367 2.307 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000927694987 1206291964 /nfs/dbraw/zinc/29/19/64/1206291964.db2.gz GLMRQBPNNHDJJS-UHFFFAOYSA-N 1 0 332.335 2.054 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934385433 1207952499 /nfs/dbraw/zinc/95/24/99/1207952499.db2.gz LGLGSLNYUXMCBW-ZACQAIPSSA-N 1 0 349.431 2.171 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001111311105 1210124632 /nfs/dbraw/zinc/12/46/32/1210124632.db2.gz MWQUKAAFAXAPTO-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCN(CCCNC(=O)C[N@H+](C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC001095891119 1215133007 /nfs/dbraw/zinc/13/30/07/1215133007.db2.gz OFJFMKAZMKABSB-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO Cc1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020043971 1229456146 /nfs/dbraw/zinc/45/61/46/1229456146.db2.gz NSSMSJKEVPKFCW-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC1(NC(=O)c2cn[nH]c2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045376783 1233704738 /nfs/dbraw/zinc/70/47/38/1233704738.db2.gz NZEDIZDXYYZJNF-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048608520 1238089729 /nfs/dbraw/zinc/08/97/29/1238089729.db2.gz WAVCEJCAQQJKRU-BRSBDYLESA-N 1 0 345.443 2.364 20 5 EEBDRO CC(C)[C@@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](C)C ZINC000803496935 1240533792 /nfs/dbraw/zinc/53/37/92/1240533792.db2.gz JSWQGUCQVUAOJE-AWEZNQCLSA-N 1 0 348.359 2.274 20 5 EEBDRO CC(C)[C@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](C)C ZINC000803496936 1240533811 /nfs/dbraw/zinc/53/38/11/1240533811.db2.gz JSWQGUCQVUAOJE-CQSZACIVSA-N 1 0 348.359 2.274 20 5 EEBDRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000850426141 1277221240 /nfs/dbraw/zinc/22/12/40/1277221240.db2.gz AGCNXYBCLFIFQA-NSHDSACASA-N 1 0 337.376 2.485 20 5 EEBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850461760 1277233775 /nfs/dbraw/zinc/23/37/75/1277233775.db2.gz LNTSAMQLNUZNKH-NWDGAFQWSA-N 1 0 337.376 2.485 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218039854 1297555033 /nfs/dbraw/zinc/55/50/33/1297555033.db2.gz ZNEGUWACTYPPFB-VXNVDRBHSA-N 1 0 348.140 2.329 20 5 EEBDRO Cc1c(Br)cnc(O[C@H]2C[NH2+]CC[C@H]2C)c1[N+](=O)[O-] ZINC001218484695 1297676984 /nfs/dbraw/zinc/67/69/84/1297676984.db2.gz WAUHVFWRBXDHSC-XCBNKYQSSA-N 1 0 330.182 2.438 20 5 EEBDRO COC(=O)c1cc(COC2CC[NH+](CCF)CC2)cc([N+](=O)[O-])c1 ZINC001223688230 1300226983 /nfs/dbraw/zinc/22/69/83/1300226983.db2.gz GCWOWHMEARSRNW-UHFFFAOYSA-N 1 0 340.351 2.332 20 5 EEBDRO C[NH+]1CCC2(CC[C@H](COc3ncc(F)cc3[N+](=O)[O-])O2)CC1 ZINC001226756415 1301540071 /nfs/dbraw/zinc/54/00/71/1301540071.db2.gz RAIBHOVEGNXNBR-GFCCVEGCSA-N 1 0 325.340 2.151 20 5 EEBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001230602008 1303308767 /nfs/dbraw/zinc/30/87/67/1303308767.db2.gz TVMJAVFXUJZBOS-OKILXGFUSA-N 1 0 346.387 2.493 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111828266 1303958062 /nfs/dbraw/zinc/95/80/62/1303958062.db2.gz YTYYEMPTEFXBJP-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@]23CCC[NH2+]CC3)n1 ZINC001247930619 1310788316 /nfs/dbraw/zinc/78/83/16/1310788316.db2.gz WRAWDEZIAAYRDG-BMIGLBTASA-N 1 0 333.323 2.426 20 5 EEBDRO Cc1ccncc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248214872 1310864826 /nfs/dbraw/zinc/86/48/26/1310864826.db2.gz VCFCBDWNPVTTCI-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000843472205 1315920252 /nfs/dbraw/zinc/92/02/52/1315920252.db2.gz XDPDWCOFCRMTCM-WCBMZHEXSA-N 1 0 329.759 2.187 20 5 EEBDRO O=C(COc1cccc(F)c1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150902314 1316404550 /nfs/dbraw/zinc/40/45/50/1316404550.db2.gz GQYYYSHNPDROBW-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO CC(C)SCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154796786 1317320620 /nfs/dbraw/zinc/32/06/20/1317320620.db2.gz UUDBJBLEGQZLKC-UHFFFAOYSA-N 1 0 325.434 2.332 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001155225851 1317509694 /nfs/dbraw/zinc/50/96/94/1317509694.db2.gz XZTSHQCOECOPJU-LLVKDONJSA-N 1 0 344.799 2.186 20 5 EEBDRO Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155588116 1317661498 /nfs/dbraw/zinc/66/14/98/1317661498.db2.gz PPKUQTQGSAVJNH-KBMXLJTQSA-N 1 0 339.399 2.192 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC001155588002 1317661526 /nfs/dbraw/zinc/66/15/26/1317661526.db2.gz KUKZFPMACWCXPQ-XBFCOCLRSA-N 1 0 325.372 2.462 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592433 1317663788 /nfs/dbraw/zinc/66/37/88/1317663788.db2.gz OZTPHBUKOLUIDJ-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155596004 1317666073 /nfs/dbraw/zinc/66/60/73/1317666073.db2.gz GFWQVRILBOBCTL-SJCJKPOMSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c21 ZINC001155602052 1317669832 /nfs/dbraw/zinc/66/98/32/1317669832.db2.gz MGSUVHQIGPKGML-SJKOYZFVSA-N 1 0 343.387 2.109 20 5 EEBDRO Cn1ncc2c1CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254481419 1318084745 /nfs/dbraw/zinc/08/47/45/1318084745.db2.gz WDPKGWHRCHJGPD-UHFFFAOYSA-N 1 0 341.415 2.355 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001254545297 1318117703 /nfs/dbraw/zinc/11/77/03/1318117703.db2.gz CBLGDVKHPINRFR-ZDUSSCGKSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1cc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]2CC[NH2+]C2)ncn1 ZINC001254567315 1318124265 /nfs/dbraw/zinc/12/42/65/1318124265.db2.gz BDFOSYPMUDJNAF-HOCLYGCPSA-N 1 0 341.415 2.493 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254571857 1318126270 /nfs/dbraw/zinc/12/62/70/1318126270.db2.gz CHKXLKUXYPOEDP-MRXNPFEDSA-N 1 0 325.368 2.082 20 5 EEBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(F)cc1 ZINC001254586978 1318135183 /nfs/dbraw/zinc/13/51/83/1318135183.db2.gz UOVXQZDJFOBVBN-MRXNPFEDSA-N 1 0 343.358 2.107 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@](CO)(C(F)(F)F)C1)C2 ZINC001254593944 1318137063 /nfs/dbraw/zinc/13/70/63/1318137063.db2.gz OGWLHSRSANPZKV-KGLIPLIRSA-N 1 0 330.306 2.309 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001156744396 1318191533 /nfs/dbraw/zinc/19/15/33/1318191533.db2.gz FHXXLHDBFRVPJE-UHFFFAOYSA-N 1 0 337.401 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)c2c1 ZINC001254849506 1318204592 /nfs/dbraw/zinc/20/45/92/1318204592.db2.gz CMJTYOCACKILLN-GFCCVEGCSA-N 1 0 340.343 2.330 20 5 EEBDRO COC1(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001157161142 1318450777 /nfs/dbraw/zinc/45/07/77/1318450777.db2.gz WGAHKTHOCPFRGX-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO CCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)COC1 ZINC001256087147 1318644175 /nfs/dbraw/zinc/64/41/75/1318644175.db2.gz PTEBVZOZBCMLNQ-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO COc1cccc(N(c2ncc([N+](=O)[O-])cc2F)C2CC[NH2+]CC2)n1 ZINC001158054737 1318987279 /nfs/dbraw/zinc/98/72/79/1318987279.db2.gz SCJBHWLLODOMAN-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158168527 1319054660 /nfs/dbraw/zinc/05/46/60/1319054660.db2.gz UYESPXHSUIRWIB-HDJSIYSDSA-N 1 0 342.403 2.244 20 5 EEBDRO [NH3+]CCc1cn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c2cccnc12 ZINC001158746270 1319416178 /nfs/dbraw/zinc/41/61/78/1319416178.db2.gz RLUZXHILYWHDLE-UHFFFAOYSA-N 1 0 334.339 2.378 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159501439 1319843610 /nfs/dbraw/zinc/84/36/10/1319843610.db2.gz IXYWNBGQCGXTOV-WFASDCNBSA-N 1 0 328.372 2.446 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)c(NC[C@@H]3C[C@H](F)C[NH2+]3)nc2c1 ZINC001162472514 1320867089 /nfs/dbraw/zinc/86/70/89/1320867089.db2.gz KTKSMOHFKJCUKK-YUMQZZPRSA-N 1 0 325.731 2.303 20 5 EEBDRO Cc1c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163321517 1321096887 /nfs/dbraw/zinc/09/68/87/1321096887.db2.gz CMANMHKQDDGPLW-ABAIWWIYSA-N 1 0 336.348 2.134 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)COc1ccccc1)C[NH2+]C2 ZINC001163813081 1321222851 /nfs/dbraw/zinc/22/28/51/1321222851.db2.gz VKVAGZBFOZMUST-CQSZACIVSA-N 1 0 329.356 2.050 20 5 EEBDRO O=[N+]([O-])c1c(NCCSCc2ccco2)ncnc1C1C[NH2+]C1 ZINC001164224553 1321324066 /nfs/dbraw/zinc/32/40/66/1321324066.db2.gz ZBOWYEQIFNLNSG-UHFFFAOYSA-N 1 0 335.389 2.010 20 5 EEBDRO CC[NH+]1CCC(N(C)c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165067604 1321450047 /nfs/dbraw/zinc/45/00/47/1321450047.db2.gz HWXDYSWASBAFDX-TWGQIWQCSA-N 1 0 333.436 2.443 20 5 EEBDRO C[NH+]1C[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]2C1 ZINC001165151293 1321466134 /nfs/dbraw/zinc/46/61/34/1321466134.db2.gz QNUMONLUCIAQQD-STQMWFEESA-N 1 0 343.362 2.189 20 5 EEBDRO C[N@H+](C1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165205202 1321472031 /nfs/dbraw/zinc/47/20/31/1321472031.db2.gz FHIGRFMKNDBAAH-CYBMUJFWSA-N 1 0 328.372 2.052 20 5 EEBDRO N=c1sc2c(n1-c1ccc3cccc([N+](=O)[O-])c3n1)CC[NH2+]C2 ZINC001166860279 1321803532 /nfs/dbraw/zinc/80/35/32/1321803532.db2.gz KGLGFNREEKFAPD-UHFFFAOYSA-N 1 0 327.369 2.120 20 5 EEBDRO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCN1C ZINC001262705883 1322353926 /nfs/dbraw/zinc/35/39/26/1322353926.db2.gz WFJFWWHORVWXNN-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001307109428 1331509470 /nfs/dbraw/zinc/50/94/70/1331509470.db2.gz JMCAASFQUHUZJB-PHIMTYICSA-N 1 0 343.343 2.049 20 5 EEBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001308664933 1331600318 /nfs/dbraw/zinc/60/03/18/1331600318.db2.gz BWFFMKJWLZRECM-HNNXBMFYSA-N 1 0 344.795 2.431 20 5 EEBDRO CC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001319312353 1332682052 /nfs/dbraw/zinc/68/20/52/1332682052.db2.gz LSFAQUGOQBKHNN-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO [NH3+][C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC001332514643 1335839137 /nfs/dbraw/zinc/83/91/37/1335839137.db2.gz ASLNEWCQXAADPJ-QGZVFWFLSA-N 1 0 346.431 2.151 20 5 EEBDRO COc1cc(C(=O)N2CC[NH2+]CCC23CCC3)cc([N+](=O)[O-])c1C ZINC001333696057 1336107936 /nfs/dbraw/zinc/10/79/36/1336107936.db2.gz NYKHYPOXOUSBIW-UHFFFAOYSA-N 1 0 333.388 2.270 20 5 EEBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001336956109 1336622455 /nfs/dbraw/zinc/62/24/55/1336622455.db2.gz LIQDOZSYFFTXFS-KRWDZBQOSA-N 1 0 344.367 2.327 20 5 EEBDRO Nc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001337145961 1336651651 /nfs/dbraw/zinc/65/16/51/1336651651.db2.gz QIEGPZVCRRXQCN-GASCZTMLSA-N 1 0 339.399 2.140 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001339273267 1336983941 /nfs/dbraw/zinc/98/39/41/1336983941.db2.gz XAAMIVOAMXUWQU-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC001339852994 1337085142 /nfs/dbraw/zinc/08/51/42/1337085142.db2.gz FZISAOYITLURGT-ZDUSSCGKSA-N 1 0 334.376 2.448 20 5 EEBDRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2[N+](=O)[O-])cc1 ZINC000849004712 1338821077 /nfs/dbraw/zinc/82/10/77/1338821077.db2.gz WWEFCUOMAVJFKI-UHFFFAOYSA-N 1 0 328.372 2.460 20 5 EEBDRO CO[C@@](C)([C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578896669 1344315627 /nfs/dbraw/zinc/31/56/27/1344315627.db2.gz DYERBRNSKPCKCD-GOPGUHFVSA-N 1 0 335.404 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1F ZINC001579642416 1344402218 /nfs/dbraw/zinc/40/22/18/1344402218.db2.gz FACQPBAEVNOCFK-RKDXNWHRSA-N 1 0 343.330 2.024 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC001579643249 1344402504 /nfs/dbraw/zinc/40/25/04/1344402504.db2.gz LVOUEBDFRCCHTR-AWEZNQCLSA-N 1 0 343.305 2.334 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC001580340401 1344511921 /nfs/dbraw/zinc/51/19/21/1344511921.db2.gz ZVBLXROCPZMMCQ-UHFFFAOYSA-N 1 0 327.340 2.022 20 5 EEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@]12CCC[NH2+]C2 ZINC001580810801 1344561787 /nfs/dbraw/zinc/56/17/87/1344561787.db2.gz CCLDTJGMTSMFGO-AWEZNQCLSA-N 1 0 327.743 2.355 20 5 EEBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590259539 1349235193 /nfs/dbraw/zinc/23/51/93/1349235193.db2.gz LCDMXGFESNUJLG-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[NH+](CC)CCCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590687212 1349390486 /nfs/dbraw/zinc/39/04/86/1349390486.db2.gz JHVQPTCQGFREPX-UHFFFAOYSA-N 1 0 339.425 2.370 20 5 EEBDRO CCC(CC)[N@H+](CCOC)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604025983 1350832608 /nfs/dbraw/zinc/83/26/08/1350832608.db2.gz XQPKVINZUUUWHE-UHFFFAOYSA-N 1 0 348.407 2.412 20 5 EEBDRO C[NH+](C)C1(CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CCCC1 ZINC001604675937 1350982431 /nfs/dbraw/zinc/98/24/31/1350982431.db2.gz VEIZGEYWCPPHHN-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555888 1368035471 /nfs/dbraw/zinc/03/54/71/1368035471.db2.gz JUFIXWIQQOYAAZ-MCIONIFRSA-N 1 0 336.436 2.327 20 5 EEBDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554715 1368035790 /nfs/dbraw/zinc/03/57/90/1368035790.db2.gz HELLJLUMEHETRQ-NSHDSACASA-N 1 0 326.360 2.113 20 5 EEBDRO COc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C ZINC000853574082 1369353164 /nfs/dbraw/zinc/35/31/64/1369353164.db2.gz DPBFDXYZDXEJNQ-OAHLLOKOSA-N 1 0 349.431 2.460 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000830070130 1372307703 /nfs/dbraw/zinc/30/77/03/1372307703.db2.gz LFPAKZQCFBGEEN-BETUJISGSA-N 1 0 347.419 2.012 20 5 EEBDRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC001575115808 1403533562 /nfs/dbraw/zinc/53/35/62/1403533562.db2.gz KLKUGJUYSJWMCF-ZDUSSCGKSA-N 1 0 347.462 2.042 20 5 EEBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC001576085608 1403560061 /nfs/dbraw/zinc/56/00/61/1403560061.db2.gz MBTSOGFNUPTWIQ-QAPCUYQASA-N 1 0 340.383 2.358 20 5 EEBDRO CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577313144 1403637995 /nfs/dbraw/zinc/63/79/95/1403637995.db2.gz VTQFXHVRSYFMEI-XGACYXMMSA-N 1 0 342.403 2.357 20 5 EEBDRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001580670622 1403867025 /nfs/dbraw/zinc/86/70/25/1403867025.db2.gz JNUGNXGNIWDBKY-OAHLLOKOSA-N 1 0 329.331 2.178 20 5 EEBDRO O=[N+]([O-])c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc2[nH]ccc21 ZINC001164770161 721294329 /nfs/dbraw/zinc/29/43/29/721294329.db2.gz PNYDSTBHOMDPJY-UHFFFAOYSA-N 1 0 327.388 2.393 20 5 EEBDRO Cc1cccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1 ZINC000981763276 778158139 /nfs/dbraw/zinc/15/81/39/778158139.db2.gz FRUVEJJUNVMTAF-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)c1F ZINC000906201471 783757608 /nfs/dbraw/zinc/75/76/08/783757608.db2.gz UPEZTIRTJFAANU-UHFFFAOYSA-N 1 0 332.335 2.433 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170873715 784858995 /nfs/dbraw/zinc/85/89/95/784858995.db2.gz ISWYQAMJWAVARN-MWLCHTKSSA-N 1 0 347.293 2.177 20 5 EEBDRO CC(=O)Nc1cc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1Br ZINC001170895387 785233429 /nfs/dbraw/zinc/23/34/29/785233429.db2.gz SLQAWZNRQNRIMH-SSDOTTSWSA-N 1 0 345.197 2.465 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818518102 785269014 /nfs/dbraw/zinc/26/90/14/785269014.db2.gz CPDJTPAKZUJMBN-YMTOWFKASA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818594600 785317298 /nfs/dbraw/zinc/31/72/98/785317298.db2.gz SJLPZHNLQHCLAQ-AWEZNQCLSA-N 1 0 329.759 2.127 20 5 EEBDRO CCNC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818959384 785345012 /nfs/dbraw/zinc/34/50/12/785345012.db2.gz JCJIUMCDEWTVDO-KRWDZBQOSA-N 1 0 343.383 2.168 20 5 EEBDRO CC(C)(C)SCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819009677 785361455 /nfs/dbraw/zinc/36/14/55/785361455.db2.gz QGJJLZBQDJUGQH-ZDUSSCGKSA-N 1 0 328.434 2.456 20 5 EEBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000819177177 785449977 /nfs/dbraw/zinc/44/99/77/785449977.db2.gz LBTRATFXYXYGFE-INIZCTEOSA-N 1 0 332.356 2.175 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821338218 786704486 /nfs/dbraw/zinc/70/44/86/786704486.db2.gz YVWYLUGLQFABJN-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000821354765 786712200 /nfs/dbraw/zinc/71/22/00/786712200.db2.gz NGWCLAGXQFWRKV-KBPBESRZSA-N 1 0 337.445 2.329 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1ncc([N+](=O)[O-])cc1C ZINC001107391347 787104883 /nfs/dbraw/zinc/10/48/83/787104883.db2.gz GILGNKGBAPCYSW-FPLPWBNLSA-N 1 0 349.435 2.113 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000822449049 787210544 /nfs/dbraw/zinc/21/05/44/787210544.db2.gz ZICAXJYXFGMYRQ-CQSZACIVSA-N 1 0 349.431 2.442 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911678701 787631090 /nfs/dbraw/zinc/63/10/90/787631090.db2.gz UBDUIRSZHNRXGJ-DLBZAZTESA-N 1 0 329.400 2.441 20 5 EEBDRO C[NH2+]C1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000911787810 787722270 /nfs/dbraw/zinc/72/22/70/787722270.db2.gz VPCCSIIUQNNQJY-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000912577924 788246406 /nfs/dbraw/zinc/24/64/06/788246406.db2.gz OSQZGYHVAORGKN-UHFFFAOYSA-N 1 0 332.360 2.279 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000912587023 788249640 /nfs/dbraw/zinc/24/96/40/788249640.db2.gz ILQMYVIAYADMHW-UHFFFAOYSA-N 1 0 325.321 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923560971 789772087 /nfs/dbraw/zinc/77/20/87/789772087.db2.gz OGGGYLFEQUYCRN-QZTJIDSGSA-N 1 0 345.374 2.069 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000173469551 791858589 /nfs/dbraw/zinc/85/85/89/791858589.db2.gz UERWRDMERZMJFL-OAHLLOKOSA-N 1 0 344.419 2.227 20 5 EEBDRO [NH3+]Cc1ccc2cn(-c3ncnc4cc(F)c([N+](=O)[O-])cc43)nc2c1 ZINC001171319826 792151333 /nfs/dbraw/zinc/15/13/33/792151333.db2.gz DOLCSPSXTNRWJS-UHFFFAOYSA-N 1 0 338.302 2.475 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001094700602 796540504 /nfs/dbraw/zinc/54/05/04/796540504.db2.gz UTBLHQOPEFNTSD-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001106789360 796565726 /nfs/dbraw/zinc/56/57/26/796565726.db2.gz MPLXOOMHTYPREJ-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO O=C(CCc1c[nH]cn1)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094856068 796825205 /nfs/dbraw/zinc/82/52/05/796825205.db2.gz MXWVFOBMQWTAQZ-UHFFFAOYSA-N 1 0 335.339 2.008 20 5 EEBDRO C[C@H](CCO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010971 797195905 /nfs/dbraw/zinc/19/59/05/797195905.db2.gz MNZYPQOYFLPFCJ-SNVBAGLBSA-N 1 0 329.347 2.202 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3C[C@@H](O)C3)CC2)c(F)c1 ZINC001173010714 797195950 /nfs/dbraw/zinc/19/59/50/797195950.db2.gz HZGJQCZLVRONHI-GSJFWJNXSA-N 1 0 341.358 2.202 20 5 EEBDRO COC(=O)[C@H](C)N(C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188869 797281404 /nfs/dbraw/zinc/28/14/04/797281404.db2.gz HONXKRYEPUCVAT-ZJUUUORDSA-N 1 0 328.340 2.167 20 5 EEBDRO COC(=O)c1ccnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173219192 797299867 /nfs/dbraw/zinc/29/98/67/797299867.db2.gz YQZFNRCTWFXBPJ-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001173231500 797312525 /nfs/dbraw/zinc/31/25/25/797312525.db2.gz LTQSIWFVMKBSFQ-OAHLLOKOSA-N 1 0 335.448 2.304 20 5 EEBDRO CCOC(=O)C1(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC001173233539 797312566 /nfs/dbraw/zinc/31/25/66/797312566.db2.gz JMOZCZKOBFPARA-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO COC(=O)C1(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173209531 797313912 /nfs/dbraw/zinc/31/39/12/797313912.db2.gz CSVPJOORSGJTSQ-ZDUSSCGKSA-N 1 0 336.388 2.085 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001173210057 797314031 /nfs/dbraw/zinc/31/40/31/797314031.db2.gz HJAHQEGGTPQIDN-HIFRSBDPSA-N 1 0 327.388 2.184 20 5 EEBDRO Cc1cc(NC2CCN(C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095247286 797573836 /nfs/dbraw/zinc/57/38/36/797573836.db2.gz DRWSZKBEQBCPJT-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cncs1 ZINC001002411965 798030807 /nfs/dbraw/zinc/03/08/07/798030807.db2.gz QVJZYHFGBLILMM-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO O=C(CCc1nccs1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176434950 798448126 /nfs/dbraw/zinc/44/81/26/798448126.db2.gz CZOOHWNVVAKXJT-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO O=C(CCc1nccs1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176436567 798449314 /nfs/dbraw/zinc/44/93/14/798449314.db2.gz WVMMBJUVSKFRGM-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO C[NH+](C)CCn1cc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)cn1 ZINC001176450966 798460994 /nfs/dbraw/zinc/46/09/94/798460994.db2.gz ZRCJCNKXUAAWDX-UHFFFAOYSA-N 1 0 347.422 2.436 20 5 EEBDRO COCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040559163 799159159 /nfs/dbraw/zinc/15/91/59/799159159.db2.gz KXOBBBDDPWYPQD-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001110266480 801086480 /nfs/dbraw/zinc/08/64/80/801086480.db2.gz XADPFKPBZZEJQS-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO COc1cc(CNCc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000922477755 801143187 /nfs/dbraw/zinc/14/31/87/801143187.db2.gz DXVAPPYIKWLNJD-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cscn1 ZINC001155684176 802838317 /nfs/dbraw/zinc/83/83/17/802838317.db2.gz LIOFUSURDLERLB-UHFFFAOYSA-N 1 0 326.403 2.023 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N(CC[NH3+])c1cccnc1 ZINC001168839259 803464233 /nfs/dbraw/zinc/46/42/33/803464233.db2.gz XPJBQXUGPLUVML-UHFFFAOYSA-N 1 0 330.344 2.182 20 5 EEBDRO C[NH+](C)CCOc1cc(NC2COC(C)(C)OC2)ccc1[N+](=O)[O-] ZINC001168906305 803509454 /nfs/dbraw/zinc/50/94/54/803509454.db2.gz BJUMKPHGAZMLJF-UHFFFAOYSA-N 1 0 339.392 2.099 20 5 EEBDRO O=C(N1CCCCC1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168966611 803552674 /nfs/dbraw/zinc/55/26/74/803552674.db2.gz JTOBXOXYDPKDQE-ZBFHGGJFSA-N 1 0 338.452 2.092 20 5 EEBDRO CC(C)(C)C(=O)CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991924 803559104 /nfs/dbraw/zinc/55/91/04/803559104.db2.gz IHWRAKHZPXENKG-HIFRSBDPSA-N 1 0 325.453 2.101 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010299 803570681 /nfs/dbraw/zinc/57/06/81/803570681.db2.gz CMPXHEAJXRZUQG-BARDWOONSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169012494 803571522 /nfs/dbraw/zinc/57/15/22/803571522.db2.gz QOIZOCFUGXGGTE-ZQDZILKHSA-N 1 0 339.436 2.373 20 5 EEBDRO Cc1cccc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037518 803581433 /nfs/dbraw/zinc/58/14/33/803581433.db2.gz SAPHRUFDMBSOFN-RDJZCZTQSA-N 1 0 331.416 2.198 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001169018997 803588067 /nfs/dbraw/zinc/58/80/67/803588067.db2.gz FYGIIMCYXRMEMC-NRSFXHEJSA-N 1 0 330.432 2.176 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[NH+]1CCCC1 ZINC000789969014 808302096 /nfs/dbraw/zinc/30/20/96/808302096.db2.gz SSDYWZPKGVBKBK-UHFFFAOYSA-N 1 0 334.401 2.030 20 5 EEBDRO CN(CC(C)(C)CNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001113452966 809006884 /nfs/dbraw/zinc/00/68/84/809006884.db2.gz NHCBFSYATWOLBL-UHFFFAOYSA-N 1 0 336.436 2.443 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170346330 809916426 /nfs/dbraw/zinc/91/64/26/809916426.db2.gz NGQSJCPLMRJLQZ-SWLSCSKDSA-N 1 0 335.404 2.135 20 5 EEBDRO CCc1cccnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130625553 811855664 /nfs/dbraw/zinc/85/56/64/811855664.db2.gz CZVJRHMUTJCHNH-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO CC(C)(NC(=O)CCSCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001521394605 1119246604 /nfs/dbraw/zinc/24/66/04/1119246604.db2.gz NQYQTNACYXFBMP-UHFFFAOYSA-N 1 0 325.434 2.418 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000132615920 223347733 /nfs/dbraw/zinc/34/77/33/223347733.db2.gz QGTLKTMUVBZEID-GFCCVEGCSA-N 1 0 349.412 2.136 20 5 EEBDRO Cc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000422901387 240283957 /nfs/dbraw/zinc/28/39/57/240283957.db2.gz BXJHPQHBSGJSGH-AWEZNQCLSA-N 1 0 329.360 2.277 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000195625265 241032374 /nfs/dbraw/zinc/03/23/74/241032374.db2.gz APEUMULFSKNPCV-ZNMIVQPWSA-N 1 0 349.431 2.456 20 5 EEBDRO Cc1cc(NC[C@H]2C[NH2+]CCO2)c(Br)cc1[N+](=O)[O-] ZINC000235826737 242285715 /nfs/dbraw/zinc/28/57/15/242285715.db2.gz STQHMAVHXBXQON-SECBINFHSA-N 1 0 330.182 2.066 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000237807616 242805589 /nfs/dbraw/zinc/80/55/89/242805589.db2.gz AEXJYLWGYTUSID-GFCCVEGCSA-N 1 0 332.385 2.185 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262038734 244771005 /nfs/dbraw/zinc/77/10/05/244771005.db2.gz FZPIFTACSZPZBN-QWHCGFSZSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262833032 245202901 /nfs/dbraw/zinc/20/29/01/245202901.db2.gz SGPMSPHPYBADGG-SWLSCSKDSA-N 1 0 343.387 2.207 20 5 EEBDRO C[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262833030 245203034 /nfs/dbraw/zinc/20/30/34/245203034.db2.gz SGPMSPHPYBADGG-IUODEOHRSA-N 1 0 343.387 2.207 20 5 EEBDRO CN(CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000079824300 217256686 /nfs/dbraw/zinc/25/66/86/217256686.db2.gz MBSTUOOTDNQRIG-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1cccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000264295171 246309095 /nfs/dbraw/zinc/30/90/95/246309095.db2.gz QVRFVXFJYFYQOE-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266371909 248269648 /nfs/dbraw/zinc/26/96/48/248269648.db2.gz CEVRQBSUQTYUJV-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266513171 248339058 /nfs/dbraw/zinc/33/90/58/248339058.db2.gz FILSGZNBWBIVON-MRXNPFEDSA-N 1 0 336.367 2.204 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)O1 ZINC000266887962 248491255 /nfs/dbraw/zinc/49/12/55/248491255.db2.gz ZWVOYELAXFTCOS-GHMZBOCLSA-N 1 0 326.372 2.227 20 5 EEBDRO O=C1CCCCN1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533353 296317490 /nfs/dbraw/zinc/31/74/90/296317490.db2.gz QYGBKRSKPHTIPQ-LSDHHAIUSA-N 1 0 349.435 2.267 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000097019011 218916485 /nfs/dbraw/zinc/91/64/85/218916485.db2.gz RSWWWKCLVRCCGE-HOTGVXAUSA-N 1 0 348.403 2.094 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccsc1 ZINC000267232407 256040316 /nfs/dbraw/zinc/04/03/16/256040316.db2.gz ZRUJZYICXRMFBF-ZDUSSCGKSA-N 1 0 334.401 2.271 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127371 256211154 /nfs/dbraw/zinc/21/11/54/256211154.db2.gz KTXHEAZEOMNGKN-NHYWBVRUSA-N 1 0 334.376 2.111 20 5 EEBDRO CCc1nn(C)c(NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000271222503 256221591 /nfs/dbraw/zinc/22/15/91/256221591.db2.gz CXOSPMDEFOCETB-UHFFFAOYSA-N 1 0 343.431 2.402 20 5 EEBDRO COCCC[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276030249 256396592 /nfs/dbraw/zinc/39/65/92/256396592.db2.gz RQALWTKXEWKPLN-UHFFFAOYSA-N 1 0 347.209 2.188 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000261667474 292086246 /nfs/dbraw/zinc/08/62/46/292086246.db2.gz GRHIGEUNFHAUSJ-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165848422 143820294 /nfs/dbraw/zinc/82/02/94/143820294.db2.gz IMGGARIVLCEBLH-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173598415 152180381 /nfs/dbraw/zinc/18/03/81/152180381.db2.gz RWPJKOAGAFWSDT-UHFFFAOYSA-N 1 0 342.399 2.123 20 5 EEBDRO CCC[C@](C)([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262696052 152308289 /nfs/dbraw/zinc/30/82/89/152308289.db2.gz DJSYZFWBHHDDCF-KRWDZBQOSA-N 1 0 335.404 2.482 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068450067 159019726 /nfs/dbraw/zinc/01/97/26/159019726.db2.gz PCXFEJJPLSOSCP-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593391 159120537 /nfs/dbraw/zinc/12/05/37/159120537.db2.gz MQIPTTSBWRDEBR-GFCCVEGCSA-N 1 0 337.424 2.121 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000079806416 159135847 /nfs/dbraw/zinc/13/58/47/159135847.db2.gz HKENDOKXNMYVQR-OAHLLOKOSA-N 1 0 348.447 2.268 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083415955 159163647 /nfs/dbraw/zinc/16/36/47/159163647.db2.gz USBYQFUZXDKUNZ-ZDUSSCGKSA-N 1 0 326.418 2.162 20 5 EEBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000092756696 159226607 /nfs/dbraw/zinc/22/66/07/159226607.db2.gz ZIIRORNCTBZCAX-AWEZNQCLSA-N 1 0 335.404 2.282 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000119981564 159384220 /nfs/dbraw/zinc/38/42/20/159384220.db2.gz DJORWKOXYOYAGA-ZIAGYGMSSA-N 1 0 348.403 2.196 20 5 EEBDRO CN(Cc1nccn1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120913778 159396814 /nfs/dbraw/zinc/39/68/14/159396814.db2.gz AOIUBEWOCOEIQL-UHFFFAOYSA-N 1 0 325.328 2.149 20 5 EEBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC000179123444 159919669 /nfs/dbraw/zinc/91/96/69/159919669.db2.gz HVSSRBRKMPUODB-LBPRGKRZSA-N 1 0 332.385 2.152 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000246874556 160298855 /nfs/dbraw/zinc/29/88/55/160298855.db2.gz USOWQWUIEXIXKT-RDJZCZTQSA-N 1 0 331.416 2.470 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247312729 160319989 /nfs/dbraw/zinc/31/99/89/160319989.db2.gz RFIHDLJXCKNSCB-GOEBONIOSA-N 1 0 346.431 2.340 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000341960276 161027483 /nfs/dbraw/zinc/02/74/83/161027483.db2.gz GTQYLTISYUFPQN-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342413236 161063306 /nfs/dbraw/zinc/06/33/06/161063306.db2.gz AXWXSXMKFAGJRL-FZMZJTMJSA-N 1 0 326.418 2.241 20 5 EEBDRO Cc1c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000343051473 161098445 /nfs/dbraw/zinc/09/84/45/161098445.db2.gz FMFUPQOWCCJWDB-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000343478519 161139949 /nfs/dbraw/zinc/13/99/49/161139949.db2.gz REXWGBFWOZDSMF-UHFFFAOYSA-N 1 0 344.415 2.446 20 5 EEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1c([N+](=O)[O-])ncn1C ZINC000346653179 161388938 /nfs/dbraw/zinc/38/89/38/161388938.db2.gz HATOSEIYZWAAEB-UHFFFAOYSA-N 1 0 330.392 2.076 20 5 EEBDRO C[C@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352407160 162123878 /nfs/dbraw/zinc/12/38/78/162123878.db2.gz RTYPBQVRLSOUDH-SECBINFHSA-N 1 0 340.286 2.211 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CC1CCC1 ZINC000355531822 163221398 /nfs/dbraw/zinc/22/13/98/163221398.db2.gz LBLFQCZPUUSNRQ-SWLSCSKDSA-N 1 0 335.404 2.453 20 5 EEBDRO COc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000355609337 163248208 /nfs/dbraw/zinc/24/82/08/163248208.db2.gz QLJNSNHTLRJVQN-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO CC(C)(C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000358504855 163921993 /nfs/dbraw/zinc/92/19/93/163921993.db2.gz IZOPAILMABGFKQ-UHFFFAOYSA-N 1 0 331.416 2.475 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359066546 164049848 /nfs/dbraw/zinc/04/98/48/164049848.db2.gz UIFLMNDILZDCHL-CQSZACIVSA-N 1 0 331.376 2.219 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111362 164428758 /nfs/dbraw/zinc/42/87/58/164428758.db2.gz QXWAMARJLIAKFG-KGLIPLIRSA-N 1 0 333.388 2.111 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000364765690 165263973 /nfs/dbraw/zinc/26/39/73/165263973.db2.gz YAQOLQOAYGVMFQ-SUMWQHHRSA-N 1 0 349.387 2.089 20 5 EEBDRO COc1cccc(NC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000369993601 166371869 /nfs/dbraw/zinc/37/18/69/166371869.db2.gz DZYUVRCOMPJDDT-UHFFFAOYSA-N 1 0 345.403 2.376 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374404097 167035972 /nfs/dbraw/zinc/03/59/72/167035972.db2.gz VZSBFRHVOGKGMX-ZIAGYGMSSA-N 1 0 336.388 2.341 20 5 EEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000374893075 167063063 /nfs/dbraw/zinc/06/30/63/167063063.db2.gz JCMBMHMAIRNQJG-CHWSQXEVSA-N 1 0 333.319 2.202 20 5 EEBDRO CN(CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000378224400 167643723 /nfs/dbraw/zinc/64/37/23/167643723.db2.gz IMNCRRHRFOVZKD-HNNXBMFYSA-N 1 0 346.431 2.022 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000157700720 224871953 /nfs/dbraw/zinc/87/19/53/224871953.db2.gz XHJMUZIZWSUDCK-SWLSCSKDSA-N 1 0 332.404 2.052 20 5 EEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000122785095 222158220 /nfs/dbraw/zinc/15/82/20/222158220.db2.gz NXICPFTXPRHFLU-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO [NH3+]C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000238017754 268666757 /nfs/dbraw/zinc/66/67/57/268666757.db2.gz TWDQTFPWFLCRRR-QGZVFWFLSA-N 1 0 325.368 2.222 20 5 EEBDRO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000269989205 268770316 /nfs/dbraw/zinc/77/03/16/268770316.db2.gz QUBFMJWQGCFWEI-MRVPVSSYSA-N 1 0 345.197 2.429 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1CC(C)(C)O ZINC000275454158 269117269 /nfs/dbraw/zinc/11/72/69/269117269.db2.gz HATJHVKLNTWJQL-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000277308290 269147741 /nfs/dbraw/zinc/14/77/41/269147741.db2.gz UMTMEHOJEOVNSI-OAHLLOKOSA-N 1 0 335.404 2.377 20 5 EEBDRO C[NH+](C)CCc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277758389 269179762 /nfs/dbraw/zinc/17/97/62/269179762.db2.gz RBHOZZIKMCEZRO-UHFFFAOYSA-N 1 0 330.344 2.052 20 5 EEBDRO Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280311245 269349614 /nfs/dbraw/zinc/34/96/14/269349614.db2.gz GDFVXXMNWKWBEY-NVXWUHKLSA-N 1 0 344.415 2.259 20 5 EEBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961530 274086631 /nfs/dbraw/zinc/08/66/31/274086631.db2.gz ANTOBBRAIBBYKS-KZULUSFZSA-N 1 0 347.415 2.277 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278207396 274341041 /nfs/dbraw/zinc/34/10/41/274341041.db2.gz QQMPKBRXOINULA-UHFFFAOYSA-N 1 0 346.431 2.311 20 5 EEBDRO CN1CC[NH+](CC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000288620707 275076815 /nfs/dbraw/zinc/07/68/15/275076815.db2.gz XSWOCSBUWIJVJV-UHFFFAOYSA-N 1 0 336.411 2.198 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)cc1OC(F)F ZINC000288837817 275087803 /nfs/dbraw/zinc/08/78/03/275087803.db2.gz CFURTCLVQMWKPV-GFCCVEGCSA-N 1 0 345.346 2.455 20 5 EEBDRO Cc1cnccc1OC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000289351060 275110904 /nfs/dbraw/zinc/11/09/04/275110904.db2.gz HHINNAXQVXGSFI-UHFFFAOYSA-N 1 0 331.376 2.038 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000289465011 275118188 /nfs/dbraw/zinc/11/81/88/275118188.db2.gz AFLZVUGJDWVGMO-JSGCOSHPSA-N 1 0 325.796 2.499 20 5 EEBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000289525636 275124261 /nfs/dbraw/zinc/12/42/61/275124261.db2.gz VSGSYOXUIIOQHZ-CQSZACIVSA-N 1 0 346.383 2.250 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000290199772 275188741 /nfs/dbraw/zinc/18/87/41/275188741.db2.gz RFPBMYBFQMULKD-ZDUSSCGKSA-N 1 0 333.388 2.065 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000291095355 275269733 /nfs/dbraw/zinc/26/97/33/275269733.db2.gz ILUKZPLVDWNPDG-GVDBMIGSSA-N 1 0 349.431 2.162 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1OCCc2sccc21 ZINC000292404335 275422650 /nfs/dbraw/zinc/42/26/50/275422650.db2.gz LNRNCFWNMHXEKG-BDJLRTHQSA-N 1 0 349.412 2.110 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000069369184 279785919 /nfs/dbraw/zinc/78/59/19/279785919.db2.gz RTJASCYHZCHGOM-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1 ZINC000420419158 280654588 /nfs/dbraw/zinc/65/45/88/280654588.db2.gz HTPYENSIEZTQHD-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000173336344 280655532 /nfs/dbraw/zinc/65/55/32/280655532.db2.gz XAKCGKBDEOIATN-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104755436 281261952 /nfs/dbraw/zinc/26/19/52/281261952.db2.gz HTQSHTKLVYIMCF-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000342931603 281433565 /nfs/dbraw/zinc/43/35/65/281433565.db2.gz XFLJCNPZUZIZNF-CYBMUJFWSA-N 1 0 341.433 2.049 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171679288 288506609 /nfs/dbraw/zinc/50/66/09/288506609.db2.gz WTTRDTBILFGGCD-CQSZACIVSA-N 1 0 345.403 2.221 20 5 EEBDRO C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420258028 290590970 /nfs/dbraw/zinc/59/09/70/290590970.db2.gz JMGFYFUNMZZQAW-SMDDNHRTSA-N 1 0 332.404 2.051 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000293636289 293257653 /nfs/dbraw/zinc/25/76/53/293257653.db2.gz JCHLHKKDMPAKGR-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294839395 293558990 /nfs/dbraw/zinc/55/89/90/293558990.db2.gz MGVLMFHVSRWDPO-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276289 293668893 /nfs/dbraw/zinc/66/88/93/293668893.db2.gz AZKPXSRDRNLLBU-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1cc(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000296864858 294087583 /nfs/dbraw/zinc/08/75/83/294087583.db2.gz FMNCEWHRTAZGLX-AGUYFDCRSA-N 1 0 333.388 2.023 20 5 EEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447586427 298466692 /nfs/dbraw/zinc/46/66/92/298466692.db2.gz NSHKSIYZEWLWRK-UNHDLIQDSA-N 1 0 328.438 2.022 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424005623 300484631 /nfs/dbraw/zinc/48/46/31/300484631.db2.gz AMGJBZHGEPVQOB-STQMWFEESA-N 1 0 334.420 2.108 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000332389555 311999909 /nfs/dbraw/zinc/99/99/09/311999909.db2.gz LFXZMTVSSDFDFY-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412119132 312619474 /nfs/dbraw/zinc/61/94/74/312619474.db2.gz CLOZUJIVTCFTPK-DLBZAZTESA-N 1 0 331.416 2.499 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414798846 313091886 /nfs/dbraw/zinc/09/18/86/313091886.db2.gz ZMJLGDFILYEBCC-OAHLLOKOSA-N 1 0 349.431 2.181 20 5 EEBDRO C[C@@H](NC(=O)N1CCC2(C1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000417141675 313434488 /nfs/dbraw/zinc/43/44/88/313434488.db2.gz RSRXNYLVOKDFIA-CYBMUJFWSA-N 1 0 332.404 2.441 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000417760519 313588061 /nfs/dbraw/zinc/58/80/61/313588061.db2.gz GDTBCVXWEKXZRM-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000418087685 313708745 /nfs/dbraw/zinc/70/87/45/313708745.db2.gz HXQQFTKKCIOILA-UHFFFAOYSA-N 1 0 346.309 2.245 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418552649 313844722 /nfs/dbraw/zinc/84/47/22/313844722.db2.gz SBRYJIGIDWADPE-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418708505 313886108 /nfs/dbraw/zinc/88/61/08/313886108.db2.gz CKENBMCPKANPIN-LSDHHAIUSA-N 1 0 334.420 2.296 20 5 EEBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000444456636 315302659 /nfs/dbraw/zinc/30/26/59/315302659.db2.gz WVEMBBNTBGZTLB-UHFFFAOYSA-N 1 0 344.371 2.132 20 5 EEBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444786885 315325045 /nfs/dbraw/zinc/32/50/45/315325045.db2.gz VNWIDRBKPPOLJP-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445113925 315344846 /nfs/dbraw/zinc/34/48/46/315344846.db2.gz OBSCLVVPKGREAT-UHFFFAOYSA-N 1 0 348.407 2.002 20 5 EEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000449098092 315416576 /nfs/dbraw/zinc/41/65/76/315416576.db2.gz HHPLKFBWBRWJDN-HNNXBMFYSA-N 1 0 341.433 2.041 20 5 EEBDRO CS(=O)(=O)c1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000449167238 315426842 /nfs/dbraw/zinc/42/68/42/315426842.db2.gz ITVWMMSXSBLUGF-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)COC ZINC000535063896 317961899 /nfs/dbraw/zinc/96/18/99/317961899.db2.gz JQTBRLZXJOALCJ-WFASDCNBSA-N 1 0 328.434 2.453 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000539047715 318051183 /nfs/dbraw/zinc/05/11/83/318051183.db2.gz RFAWBZSFIRUEJM-LBPRGKRZSA-N 1 0 343.449 2.272 20 5 EEBDRO Cn1cc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000546001355 318239482 /nfs/dbraw/zinc/23/94/82/318239482.db2.gz TWHKHGHFKSCINE-UHFFFAOYSA-N 1 0 331.376 2.182 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000563581148 319025071 /nfs/dbraw/zinc/02/50/71/319025071.db2.gz HQPQQBHSMXGKMZ-AWEZNQCLSA-N 1 0 349.435 2.086 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]Cc2ccccc21 ZINC000565772071 319212559 /nfs/dbraw/zinc/21/25/59/319212559.db2.gz CPHPSEXCGWJXAG-INIZCTEOSA-N 1 0 325.368 2.141 20 5 EEBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCCCC1 ZINC000566207998 319260206 /nfs/dbraw/zinc/26/02/06/319260206.db2.gz GZQPHLJUPKKKDM-UHFFFAOYSA-N 1 0 332.360 2.288 20 5 EEBDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377556 319374880 /nfs/dbraw/zinc/37/48/80/319374880.db2.gz SECZHLIBCWFBNV-NSHDSACASA-N 1 0 331.376 2.316 20 5 EEBDRO C[C@@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095609 319546256 /nfs/dbraw/zinc/54/62/56/319546256.db2.gz FYNHFUQWCBUKTR-OLZOCXBDSA-N 1 0 326.418 2.394 20 5 EEBDRO Cc1nccn1CCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573317193 319923341 /nfs/dbraw/zinc/92/33/41/319923341.db2.gz CMCOUDHLYIWGBB-UHFFFAOYSA-N 1 0 345.403 2.498 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[C@@H]1CCCCO1 ZINC000575742605 320109853 /nfs/dbraw/zinc/10/98/53/320109853.db2.gz NWXYVVKHORHEMB-GJZGRUSLSA-N 1 0 338.404 2.273 20 5 EEBDRO CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000577633612 320267561 /nfs/dbraw/zinc/26/75/61/320267561.db2.gz QXWMMHPKUQBUET-CYBMUJFWSA-N 1 0 346.456 2.398 20 5 EEBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000580554601 324086721 /nfs/dbraw/zinc/08/67/21/324086721.db2.gz ZDQPYBIPNLWOJM-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2c1CC[NH2+]C2 ZINC000326010136 465033362 /nfs/dbraw/zinc/03/33/62/465033362.db2.gz LMILIZQHUCJHGX-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO COc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591032 465041785 /nfs/dbraw/zinc/04/17/85/465041785.db2.gz BMLBQRIRDATVSB-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336794084 465046944 /nfs/dbraw/zinc/04/69/44/465046944.db2.gz ZPBFGSFBDPRJFN-JKSUJKDBSA-N 1 0 341.415 2.287 20 5 EEBDRO Cn1cc(C[NH2+]C2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000336898565 465088511 /nfs/dbraw/zinc/08/85/11/465088511.db2.gz UWDWPFGGBNAQIZ-UHFFFAOYSA-N 1 0 330.388 2.388 20 5 EEBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000578997545 468292841 /nfs/dbraw/zinc/29/28/41/468292841.db2.gz OXNSOMWXBAKJNM-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659167 468297419 /nfs/dbraw/zinc/29/74/19/468297419.db2.gz HXMMTHNVCKJAIJ-KDOFPFPSSA-N 1 0 348.399 2.253 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000060845138 462567346 /nfs/dbraw/zinc/56/73/46/462567346.db2.gz FGHQZBFDGWBSNH-BETUJISGSA-N 1 0 334.420 2.275 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000114198172 462632289 /nfs/dbraw/zinc/63/22/89/462632289.db2.gz ZWCPKMUHPLNPIA-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000063255618 462635274 /nfs/dbraw/zinc/63/52/74/462635274.db2.gz UKXHXJJQXHBYMN-UHFFFAOYSA-N 1 0 342.403 2.291 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153686154 462678570 /nfs/dbraw/zinc/67/85/70/462678570.db2.gz LUFRRACMFUMSSS-GUYCJALGSA-N 1 0 333.388 2.343 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153903607 462706832 /nfs/dbraw/zinc/70/68/32/462706832.db2.gz CQFWIUIVBZOTCP-KRWDZBQOSA-N 1 0 349.387 2.044 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@]4(CCOC4)C3)o2)cc1 ZINC000153908608 462707954 /nfs/dbraw/zinc/70/79/54/462707954.db2.gz BSXGKNMAOOYEPM-INIZCTEOSA-N 1 0 330.344 2.257 20 5 EEBDRO C[NH+]1CCN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000047272504 462762295 /nfs/dbraw/zinc/76/22/95/462762295.db2.gz FUQVTYFMAAEMJA-UHFFFAOYSA-N 1 0 341.415 2.349 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090182828 462784267 /nfs/dbraw/zinc/78/42/67/462784267.db2.gz MUIVEZFTJGHZOY-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000090538989 462795884 /nfs/dbraw/zinc/79/58/84/462795884.db2.gz MLGDMIPSDRBQOQ-CQSZACIVSA-N 1 0 332.360 2.303 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000047632899 462807765 /nfs/dbraw/zinc/80/77/65/462807765.db2.gz BZQHSFQBUHRHNG-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000047743956 462819732 /nfs/dbraw/zinc/81/97/32/462819732.db2.gz OLCKBBNJUWABSZ-GOSISDBHSA-N 1 0 327.384 2.450 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000133439648 462932206 /nfs/dbraw/zinc/93/22/06/462932206.db2.gz NVCGNCVIAZEUSA-HNNXBMFYSA-N 1 0 349.434 2.365 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000067724349 463043482 /nfs/dbraw/zinc/04/34/82/463043482.db2.gz KKENRVXRZYGLRX-INIZCTEOSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000157731428 463162983 /nfs/dbraw/zinc/16/29/83/463162983.db2.gz ZUGYKMMTAJZOMB-RYUDHWBXSA-N 1 0 340.383 2.498 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000027118744 463180980 /nfs/dbraw/zinc/18/09/80/463180980.db2.gz BNPWOKOFXHTLBI-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079535733 463226118 /nfs/dbraw/zinc/22/61/18/463226118.db2.gz WRKGSPNWRDCEGC-AWEZNQCLSA-N 1 0 334.420 2.022 20 5 EEBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000080248175 463299764 /nfs/dbraw/zinc/29/97/64/463299764.db2.gz SFKORUJMMJWSQI-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069802591 463327126 /nfs/dbraw/zinc/32/71/26/463327126.db2.gz VIEJPWCUKMRJFT-MRXNPFEDSA-N 1 0 349.431 2.018 20 5 EEBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000160323331 463329080 /nfs/dbraw/zinc/32/90/80/463329080.db2.gz HCOCSGIWYMHDRH-CVEARBPZSA-N 1 0 341.415 2.420 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000081335610 463421903 /nfs/dbraw/zinc/42/19/03/463421903.db2.gz IUSUTFYFRRETLF-OAHLLOKOSA-N 1 0 348.447 2.221 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000072672819 463532968 /nfs/dbraw/zinc/53/29/68/463532968.db2.gz MYRYLENNLWMFLE-ZDUSSCGKSA-N 1 0 338.364 2.272 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000083995967 463572010 /nfs/dbraw/zinc/57/20/10/463572010.db2.gz KUTMBEDKWDEUTJ-SNVBAGLBSA-N 1 0 349.840 2.175 20 5 EEBDRO CC(C)[NH2+]C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000108372492 463602272 /nfs/dbraw/zinc/60/22/72/463602272.db2.gz NCBCFVMPWUXMSS-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579473842 468364756 /nfs/dbraw/zinc/36/47/56/468364756.db2.gz PRURECHBGUFCRD-SFYZADRCSA-N 1 0 332.307 2.444 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152112330 463647309 /nfs/dbraw/zinc/64/73/09/463647309.db2.gz VJTQBDOKJLIQLC-UHFFFAOYSA-N 1 0 341.795 2.424 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000169257979 463671220 /nfs/dbraw/zinc/67/12/20/463671220.db2.gz AJIZKWBRMZZBDQ-UHFFFAOYSA-N 1 0 340.177 2.007 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000177451873 463707474 /nfs/dbraw/zinc/70/74/74/463707474.db2.gz HRTGWPWBZQMABD-QWRGUYRKSA-N 1 0 331.376 2.074 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000185080987 463748353 /nfs/dbraw/zinc/74/83/53/463748353.db2.gz FRLRKVAYWBNJHY-UHFFFAOYSA-N 1 0 345.403 2.323 20 5 EEBDRO CC[N@@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268513343 463774554 /nfs/dbraw/zinc/77/45/54/463774554.db2.gz XIXSSWKSSXLGHN-UHFFFAOYSA-N 1 0 329.198 2.284 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000553776948 468378970 /nfs/dbraw/zinc/37/89/70/468378970.db2.gz REHQEDDNUJXNDS-WFASDCNBSA-N 1 0 332.404 2.335 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000287221592 463838581 /nfs/dbraw/zinc/83/85/81/463838581.db2.gz FLQIOPGKZKQDEE-JTQLQIEISA-N 1 0 329.784 2.280 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261797945 463863986 /nfs/dbraw/zinc/86/39/86/463863986.db2.gz LMZRXRPGFCRCHC-QWRGUYRKSA-N 1 0 341.795 2.213 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000283466164 463894055 /nfs/dbraw/zinc/89/40/55/463894055.db2.gz LXPXQHTZEYOSPP-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+]C1(c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCC1 ZINC000261907380 463896559 /nfs/dbraw/zinc/89/65/59/463896559.db2.gz ZGPFPUQJJIULSQ-UHFFFAOYSA-N 1 0 326.316 2.168 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178504171 463913104 /nfs/dbraw/zinc/91/31/04/463913104.db2.gz GQZCRIUSPJCOPZ-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000186291179 463970137 /nfs/dbraw/zinc/97/01/37/463970137.db2.gz QFVHIBHACFADLX-UHFFFAOYSA-N 1 0 340.177 2.007 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178820456 463983349 /nfs/dbraw/zinc/98/33/49/463983349.db2.gz GDIUTKPKBYCCBI-UHFFFAOYSA-N 1 0 343.387 2.334 20 5 EEBDRO CN1CCN(C)[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957844 464015646 /nfs/dbraw/zinc/01/56/46/464015646.db2.gz BBSIMBKZIXSFIV-YOEHRIQHSA-N 1 0 332.448 2.153 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971151 468388076 /nfs/dbraw/zinc/38/80/76/468388076.db2.gz RUIOKFSXEAHGSR-HOTGVXAUSA-N 1 0 334.372 2.413 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279165794 464050880 /nfs/dbraw/zinc/05/08/80/464050880.db2.gz UKBKICGKSBMPFJ-OAHLLOKOSA-N 1 0 347.415 2.189 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590971673 468388121 /nfs/dbraw/zinc/38/81/21/468388121.db2.gz FFZYWCYOFKAMRG-GFCCVEGCSA-N 1 0 329.356 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000173113504 464192715 /nfs/dbraw/zinc/19/27/15/464192715.db2.gz FCGLLWAWJDXNEO-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179981619 464219884 /nfs/dbraw/zinc/21/98/84/464219884.db2.gz CBMPKRPKQVFGDN-GFCCVEGCSA-N 1 0 349.387 2.318 20 5 EEBDRO C[C@H](CO)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270298321 464248211 /nfs/dbraw/zinc/24/82/11/464248211.db2.gz QXEKLRJOQKVJDW-ZDUSSCGKSA-N 1 0 332.404 2.494 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC([NH3+])(CC)CC)cc1OC ZINC000237069868 464259747 /nfs/dbraw/zinc/25/97/47/464259747.db2.gz CDUJGBRVGUDGKD-UHFFFAOYSA-N 1 0 339.392 2.249 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237180014 464278394 /nfs/dbraw/zinc/27/83/94/464278394.db2.gz PXONREQWAYKBBR-NSHDSACASA-N 1 0 325.796 2.249 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000281014883 464299743 /nfs/dbraw/zinc/29/97/43/464299743.db2.gz PBRREPSFULZHFL-CYBMUJFWSA-N 1 0 335.408 2.153 20 5 EEBDRO C[C@@H](O)[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264389329 464307268 /nfs/dbraw/zinc/30/72/68/464307268.db2.gz FFZBMFLBOGJNSK-YGRLFVJLSA-N 1 0 341.795 2.422 20 5 EEBDRO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237513737 464333722 /nfs/dbraw/zinc/33/37/22/464333722.db2.gz JWBVNUXHDNKGAF-GFCCVEGCSA-N 1 0 331.825 2.287 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CCCCCC1 ZINC000237988597 464415380 /nfs/dbraw/zinc/41/53/80/464415380.db2.gz WKDCAHWPJYNZPI-UHFFFAOYSA-N 1 0 334.420 2.435 20 5 EEBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987682 464437812 /nfs/dbraw/zinc/43/78/12/464437812.db2.gz FUMBPIBUBOPANM-ZMSDIMECSA-N 1 0 336.388 2.340 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175311496 464524085 /nfs/dbraw/zinc/52/40/85/464524085.db2.gz WSSXZYOTKMRGCS-QGZVFWFLSA-N 1 0 349.431 2.346 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000265358942 464530352 /nfs/dbraw/zinc/53/03/52/464530352.db2.gz ZFOHGBCLMJKHHP-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO Cc1ccc(C[N@H+](CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000181983096 464544896 /nfs/dbraw/zinc/54/48/96/464544896.db2.gz PRPNYEWVHVJJKM-SFHVURJKSA-N 1 0 330.384 2.431 20 5 EEBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2F)nnc1[C@H]1CCC[NH2+]C1 ZINC000265479616 464573820 /nfs/dbraw/zinc/57/38/20/464573820.db2.gz RXVOOFAQRJCROY-VIFPVBQESA-N 1 0 337.380 2.481 20 5 EEBDRO CC[N@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000272366569 464579538 /nfs/dbraw/zinc/57/95/38/464579538.db2.gz WYNVYRLCOIJPEG-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285533917 464599900 /nfs/dbraw/zinc/59/99/00/464599900.db2.gz LDGTWWZMJLECMZ-ILXRZTDVSA-N 1 0 346.431 2.480 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182229272 464605012 /nfs/dbraw/zinc/60/50/12/464605012.db2.gz LPTBMOZGKOFWIZ-GFCCVEGCSA-N 1 0 349.387 2.127 20 5 EEBDRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246689437 464612891 /nfs/dbraw/zinc/61/28/91/464612891.db2.gz IJFKKTAAPXNTSJ-RDTXWAMCSA-N 1 0 344.415 2.453 20 5 EEBDRO CCC[C@@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000285672708 464652615 /nfs/dbraw/zinc/65/26/15/464652615.db2.gz UHQMOEAYDSWFPC-QGZVFWFLSA-N 1 0 333.388 2.033 20 5 EEBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247709487 464702404 /nfs/dbraw/zinc/70/24/04/464702404.db2.gz ZVDCJVUIMKMIGT-RHSMWYFYSA-N 1 0 332.404 2.453 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934587 464739765 /nfs/dbraw/zinc/73/97/65/464739765.db2.gz FQFUPVAQKJTCPF-BBRMVZONSA-N 1 0 344.415 2.348 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000248777752 464801150 /nfs/dbraw/zinc/80/11/50/464801150.db2.gz HSGNZGZZTHZUFS-TZMCWYRMSA-N 1 0 329.356 2.438 20 5 EEBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282419048 464812389 /nfs/dbraw/zinc/81/23/89/464812389.db2.gz QPXAILZVVUWPLX-FZMZJTMJSA-N 1 0 344.371 2.049 20 5 EEBDRO C[C@H]1CSCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248989974 464827633 /nfs/dbraw/zinc/82/76/33/464827633.db2.gz GZQZOTBZNWWYSW-TZMCWYRMSA-N 1 0 326.418 2.019 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc([N+](=O)[O-])cc5c4OCOC5)[C@H]1[C@H]3C2 ZINC000286274573 464864749 /nfs/dbraw/zinc/86/47/49/464864749.db2.gz BKYDPYRPRXTIBL-DOGAXHHXSA-N 1 0 346.383 2.317 20 5 EEBDRO COc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176916751 464884993 /nfs/dbraw/zinc/88/49/93/464884993.db2.gz GLPKQDLIRNLLIR-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000295657843 464919076 /nfs/dbraw/zinc/91/90/76/464919076.db2.gz ZYPHZUKMFDQUEM-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192608165 464957463 /nfs/dbraw/zinc/95/74/63/464957463.db2.gz BIZPCVXMIZAMHT-CYBMUJFWSA-N 1 0 337.424 2.032 20 5 EEBDRO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192617774 464959209 /nfs/dbraw/zinc/95/92/09/464959209.db2.gz UTEGNULCSMHVJJ-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO CC(=O)c1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000286606747 464975257 /nfs/dbraw/zinc/97/52/57/464975257.db2.gz XZZXXHAEFYQQFE-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000286689308 465005973 /nfs/dbraw/zinc/00/59/73/465005973.db2.gz JEDBEADGQSPKFQ-MRXNPFEDSA-N 1 0 343.431 2.483 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593913184 468430502 /nfs/dbraw/zinc/43/05/02/468430502.db2.gz SAOUCMGYUVKRHI-ZQIUZPCESA-N 1 0 347.415 2.262 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000356410602 465366407 /nfs/dbraw/zinc/36/64/07/465366407.db2.gz AGXIZFLODQOQQD-UHFFFAOYSA-N 1 0 329.356 2.162 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000343550898 465527405 /nfs/dbraw/zinc/52/74/05/465527405.db2.gz LZHLDQKUOWCPQL-GFCCVEGCSA-N 1 0 330.331 2.312 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1C ZINC000343572162 465530748 /nfs/dbraw/zinc/53/07/48/465530748.db2.gz VGJGCFHFWXWKRO-BXUZGUMPSA-N 1 0 328.372 2.356 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)nc1OCc1ccccc1 ZINC000360666908 465594511 /nfs/dbraw/zinc/59/45/11/465594511.db2.gz SFUNCINEOWYSRN-UHFFFAOYSA-N 1 0 328.372 2.686 20 5 EEBDRO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1C ZINC000348632486 465719470 /nfs/dbraw/zinc/71/94/70/465719470.db2.gz IDUBMZNJVWKSIS-UHFFFAOYSA-N 1 0 331.372 2.394 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357082136 465753504 /nfs/dbraw/zinc/75/35/04/465753504.db2.gz OSFDQLXAEWYOMJ-OAHLLOKOSA-N 1 0 346.431 2.163 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000344662365 465761631 /nfs/dbraw/zinc/76/16/31/465761631.db2.gz IRTXOXDDLKZCHF-CYBMUJFWSA-N 1 0 338.383 2.166 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340141031 465805597 /nfs/dbraw/zinc/80/55/97/465805597.db2.gz HPFOXQDOSOUBOA-GJZGRUSLSA-N 1 0 332.404 2.063 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000330919147 465861079 /nfs/dbraw/zinc/86/10/79/465861079.db2.gz YCRXKKKRJIVVQG-CMPLNLGQSA-N 1 0 325.796 2.390 20 5 EEBDRO Nc1nc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ncc1[N+](=O)[O-] ZINC000301161329 465912519 /nfs/dbraw/zinc/91/25/19/465912519.db2.gz FIBDECIVWPXVFJ-ZDUSSCGKSA-N 1 0 334.424 2.424 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000357291568 465918795 /nfs/dbraw/zinc/91/87/95/465918795.db2.gz FAEOEZFXZSBQNI-IGCXYCKISA-N 1 0 334.420 2.290 20 5 EEBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccco1 ZINC000357323649 465948424 /nfs/dbraw/zinc/94/84/24/465948424.db2.gz MLDULEVDHPDLAY-CYBMUJFWSA-N 1 0 327.344 2.846 20 5 EEBDRO C[NH+](C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000362819559 466050816 /nfs/dbraw/zinc/05/08/16/466050816.db2.gz GDQKUNSNSOFEKO-ZDUSSCGKSA-N 1 0 343.343 2.953 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000353760474 466126769 /nfs/dbraw/zinc/12/67/69/466126769.db2.gz AKDSNVLUFPKBKL-UHFFFAOYSA-N 1 0 345.355 2.140 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000357616886 466179590 /nfs/dbraw/zinc/17/95/90/466179590.db2.gz KDZCOIJEZVIKDC-NEPJUHHUSA-N 1 0 332.187 2.421 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372156313 466193592 /nfs/dbraw/zinc/19/35/92/466193592.db2.gz NWSREJFDMLNXSJ-MCIONIFRSA-N 1 0 333.388 2.280 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353869468 466215817 /nfs/dbraw/zinc/21/58/17/466215817.db2.gz LAGBKVIZGLQJMM-RISCZKNCSA-N 1 0 326.418 2.383 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000591530380 468480236 /nfs/dbraw/zinc/48/02/36/468480236.db2.gz PDWRVHGJSADAFE-HNNXBMFYSA-N 1 0 347.415 2.195 20 5 EEBDRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836114 466264767 /nfs/dbraw/zinc/26/47/67/466264767.db2.gz BWPRFPPFKBCCBF-XIRDDKMYSA-N 1 0 338.379 2.486 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000331911016 466302199 /nfs/dbraw/zinc/30/21/99/466302199.db2.gz GCSGGHWYIIXBTN-MRXNPFEDSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000349939110 466318089 /nfs/dbraw/zinc/31/80/89/466318089.db2.gz RERXZGHBNKUGSJ-QWHCGFSZSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000332009745 466345630 /nfs/dbraw/zinc/34/56/30/466345630.db2.gz ZEGQKSTWYLSZTJ-MRXNPFEDSA-N 1 0 349.456 2.429 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000332186329 466435550 /nfs/dbraw/zinc/43/55/50/466435550.db2.gz BDUPSBLZDOIHBA-VXGBXAGGSA-N 1 0 328.372 2.308 20 5 EEBDRO CN1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000358143022 466491295 /nfs/dbraw/zinc/49/12/95/466491295.db2.gz SHKLJKGXALVZMN-KRWDZBQOSA-N 1 0 347.440 2.480 20 5 EEBDRO C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569494015 468501036 /nfs/dbraw/zinc/50/10/36/468501036.db2.gz FQSZQFMQWPIENK-LBPRGKRZSA-N 1 0 331.376 2.095 20 5 EEBDRO CS[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1[NH+](C)C ZINC000347425426 466626725 /nfs/dbraw/zinc/62/67/25/466626725.db2.gz DKUKZYGVMBZDHD-QWHCGFSZSA-N 1 0 333.417 2.020 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000322452115 466632777 /nfs/dbraw/zinc/63/27/77/466632777.db2.gz DPWLFMDBPSIZEH-GFCCVEGCSA-N 1 0 341.433 2.141 20 5 EEBDRO C[C@@H](C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)CO)c1ccccc1 ZINC000347443634 466634003 /nfs/dbraw/zinc/63/40/03/466634003.db2.gz FYKMDZBANQNEOU-UONOGXRCSA-N 1 0 332.404 2.315 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415667175 466706162 /nfs/dbraw/zinc/70/61/62/466706162.db2.gz XVIDOHZRNNHNEQ-NEPJUHHUSA-N 1 0 336.392 2.442 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000423684145 466802172 /nfs/dbraw/zinc/80/21/72/466802172.db2.gz XGEQDLDBRZNKFR-OAHLLOKOSA-N 1 0 341.367 2.220 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417720412 466917257 /nfs/dbraw/zinc/91/72/57/466917257.db2.gz RNOOCIMNPSXZJE-AWEZNQCLSA-N 1 0 349.435 2.004 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C[NH3+] ZINC000423994088 466941457 /nfs/dbraw/zinc/94/14/57/466941457.db2.gz HZAZWVQIUZTNBR-RYUDHWBXSA-N 1 0 328.372 2.200 20 5 EEBDRO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820092 466950687 /nfs/dbraw/zinc/95/06/87/466950687.db2.gz LYVAWMPQSCKPCQ-LBPRGKRZSA-N 1 0 337.424 2.122 20 5 EEBDRO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365836488 466958052 /nfs/dbraw/zinc/95/80/52/466958052.db2.gz IPUIAFWWRLJXHJ-CQSZACIVSA-N 1 0 338.408 2.406 20 5 EEBDRO Nc1c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] ZINC000424047433 466962679 /nfs/dbraw/zinc/96/26/79/466962679.db2.gz UROVEBJKBXOIBT-UHFFFAOYSA-N 1 0 344.415 2.060 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424309832 467027880 /nfs/dbraw/zinc/02/78/80/467027880.db2.gz RIIBCLWYJPFINL-GFCCVEGCSA-N 1 0 344.433 2.469 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000418607503 467134820 /nfs/dbraw/zinc/13/48/20/467134820.db2.gz AWFZNOROVKICEM-GXTWGEPZSA-N 1 0 332.404 2.409 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)n1 ZINC000427394265 467155119 /nfs/dbraw/zinc/15/51/19/467155119.db2.gz GNLPAFNMLMXAQW-UHFFFAOYSA-N 1 0 325.413 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c2cccnc21 ZINC000413054023 467161892 /nfs/dbraw/zinc/16/18/92/467161892.db2.gz MCWIGELWNVVJON-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413129943 467175752 /nfs/dbraw/zinc/17/57/52/467175752.db2.gz GAYRDTZVYYGULY-VIFPVBQESA-N 1 0 334.298 2.141 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000428453193 467235615 /nfs/dbraw/zinc/23/56/15/467235615.db2.gz FGVBPZSVIJBOGV-DZGCQCFKSA-N 1 0 346.431 2.265 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c2c(c1)COCO2 ZINC000428566714 467246996 /nfs/dbraw/zinc/24/69/96/467246996.db2.gz POCFRHLOYSGYIE-AWEZNQCLSA-N 1 0 342.351 2.424 20 5 EEBDRO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000413460875 467247224 /nfs/dbraw/zinc/24/72/24/467247224.db2.gz TVPNIPPBUUKIJY-NSHDSACASA-N 1 0 326.784 2.142 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C[NH3+])C1 ZINC000420332434 467362540 /nfs/dbraw/zinc/36/25/40/467362540.db2.gz JNXVIVAZGAUWGO-BXUZGUMPSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000434426330 467397707 /nfs/dbraw/zinc/39/77/07/467397707.db2.gz VBDZSYPHDZHVSO-CQSZACIVSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000420415742 467400956 /nfs/dbraw/zinc/40/09/56/467400956.db2.gz VDXJGUJPNRZMJR-YPMHNXCESA-N 1 0 331.376 2.062 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000414661468 467425680 /nfs/dbraw/zinc/42/56/80/467425680.db2.gz XKEXRISUQILFAY-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414944019 467455816 /nfs/dbraw/zinc/45/58/16/467455816.db2.gz GDQINCPHHULFED-MRVPVSSYSA-N 1 0 330.291 2.009 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000457381245 467812079 /nfs/dbraw/zinc/81/20/79/467812079.db2.gz QJOASUOZWFRJIK-VXGBXAGGSA-N 1 0 335.429 2.388 20 5 EEBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450789468 467908242 /nfs/dbraw/zinc/90/82/42/467908242.db2.gz FYRQEBJADJKSCH-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000493679934 467963149 /nfs/dbraw/zinc/96/31/49/467963149.db2.gz IOCIJIFUIIAKQW-YAVKISSTSA-N 1 0 333.363 2.251 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493800181 467985934 /nfs/dbraw/zinc/98/59/34/467985934.db2.gz YYRJRVLYDUMXLP-TZMCWYRMSA-N 1 0 338.314 2.226 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000516394204 468026255 /nfs/dbraw/zinc/02/62/55/468026255.db2.gz VRQGLZLSYBLZMV-VXGBXAGGSA-N 1 0 349.387 2.174 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450731 468057059 /nfs/dbraw/zinc/05/70/59/468057059.db2.gz KVYDIGPNBWOLBQ-LSDHHAIUSA-N 1 0 345.403 2.072 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531540379 468058678 /nfs/dbraw/zinc/05/86/78/468058678.db2.gz FSFGFZPKCNECTB-LBPRGKRZSA-N 1 0 349.387 2.031 20 5 EEBDRO CC(C)[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000487968636 468064029 /nfs/dbraw/zinc/06/40/29/468064029.db2.gz GGKXETGYFKUCDK-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO CC1(C)C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000517359587 468082244 /nfs/dbraw/zinc/08/22/44/468082244.db2.gz JAMZPOTXGRHXIY-HIFRSBDPSA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[S@](=O)c3ccccc3)CC2)n1 ZINC000488783817 468104518 /nfs/dbraw/zinc/10/45/18/468104518.db2.gz OPKIWRMEFRQZDG-DEOSSOPVSA-N 1 0 348.428 2.236 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691983 468185117 /nfs/dbraw/zinc/18/51/17/468185117.db2.gz LGCGDKABPFZTLD-LSDHHAIUSA-N 1 0 346.383 2.392 20 5 EEBDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591757720 468515080 /nfs/dbraw/zinc/51/50/80/468515080.db2.gz FKHHITZIPSWOQW-VMGRFDJRSA-N 1 0 330.388 2.065 20 5 EEBDRO CC(C)CSCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757416 468515382 /nfs/dbraw/zinc/51/53/82/468515382.db2.gz ZUFKJFDGFZLNPU-UHFFFAOYSA-N 1 0 346.474 2.347 20 5 EEBDRO [NH3+]C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600726525 468637244 /nfs/dbraw/zinc/63/72/44/468637244.db2.gz LTEKHGGTZTUORR-FZMZJTMJSA-N 1 0 347.337 2.433 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000592171504 468646436 /nfs/dbraw/zinc/64/64/36/468646436.db2.gz ORLAZWPJCYJEFP-HAQNSBGRSA-N 1 0 332.360 2.177 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592328303 468678312 /nfs/dbraw/zinc/67/83/12/468678312.db2.gz AZSWIVJCUGLEIO-JTQLQIEISA-N 1 0 342.193 2.229 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570693998 468678423 /nfs/dbraw/zinc/67/84/23/468678423.db2.gz RTQLAFTUQXVBPG-LSDHHAIUSA-N 1 0 332.404 2.126 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000595041998 468748075 /nfs/dbraw/zinc/74/80/75/468748075.db2.gz SAIWFVMYHOCZPR-JQWIXIFHSA-N 1 0 331.376 2.169 20 5 EEBDRO CCCN1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094093 468756810 /nfs/dbraw/zinc/75/68/10/468756810.db2.gz CHYSKKVVHKJWEC-ZFWWWQNUSA-N 1 0 334.420 2.386 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000598342809 468838065 /nfs/dbraw/zinc/83/80/65/468838065.db2.gz NHPQLOPHTZUEEG-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO CNc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560759894 468845056 /nfs/dbraw/zinc/84/50/56/468845056.db2.gz ICSSSTSPLSJDIO-TZMCWYRMSA-N 1 0 332.404 2.335 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000595463637 468862378 /nfs/dbraw/zinc/86/23/78/468862378.db2.gz BGOSONPUCRNHNE-GDBMZVCRSA-N 1 0 335.404 2.029 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996866 468869224 /nfs/dbraw/zinc/86/92/24/468869224.db2.gz IXBBCDAEZQKYHP-PBHICJAKSA-N 1 0 347.415 2.449 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595488817 468872443 /nfs/dbraw/zinc/87/24/43/468872443.db2.gz IUTJFHODEOTHIT-UHFFFAOYSA-N 1 0 326.416 2.049 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000595535551 468891737 /nfs/dbraw/zinc/89/17/37/468891737.db2.gz HGTSVIUDOCJANC-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593187830 468899349 /nfs/dbraw/zinc/89/93/49/468899349.db2.gz UNIJBQJBYDYJGG-MCIONIFRSA-N 1 0 334.420 2.336 20 5 EEBDRO Cc1cc(OCC(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593189632 468900409 /nfs/dbraw/zinc/90/04/09/468900409.db2.gz WIDGPJAWPMUYFS-MGPQQGTHSA-N 1 0 335.404 2.222 20 5 EEBDRO COCC[NH2+]C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000593229013 468910677 /nfs/dbraw/zinc/91/06/77/468910677.db2.gz FUZNALGEOBJUGS-UHFFFAOYSA-N 1 0 348.325 2.213 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[NH2+]1 ZINC000598574510 468919398 /nfs/dbraw/zinc/91/93/98/468919398.db2.gz RGTBQULRNIPKOT-MRXNPFEDSA-N 1 0 330.388 2.075 20 5 EEBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595678116 468951021 /nfs/dbraw/zinc/95/10/21/468951021.db2.gz QXANLEITYIDAMK-UKRRQHHQSA-N 1 0 335.404 2.406 20 5 EEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000562400994 468951104 /nfs/dbraw/zinc/95/11/04/468951104.db2.gz KFLUYBCMFSIKIY-CQSZACIVSA-N 1 0 349.431 2.050 20 5 EEBDRO CCOc1cncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000598676195 468956552 /nfs/dbraw/zinc/95/65/52/468956552.db2.gz PLSGEIUVUIELIC-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH2+]C1CC1 ZINC000572764591 468988254 /nfs/dbraw/zinc/98/82/54/468988254.db2.gz BZUMBPKIYWRVEN-SNVBAGLBSA-N 1 0 341.795 2.274 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000593535065 469021911 /nfs/dbraw/zinc/02/19/11/469021911.db2.gz UNMWVHWANLCVLJ-DZGCQCFKSA-N 1 0 335.379 2.219 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595831212 469032284 /nfs/dbraw/zinc/03/22/84/469032284.db2.gz YVYZRGWDZGWXIO-ZDUSSCGKSA-N 1 0 333.388 2.048 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602778739 469068962 /nfs/dbraw/zinc/06/89/62/469068962.db2.gz LDQIGLGSWXXLDR-AWEZNQCLSA-N 1 0 329.404 2.035 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733952 469115184 /nfs/dbraw/zinc/11/51/84/469115184.db2.gz OYRCSIYVKWYECI-LRDDRELGSA-N 1 0 334.420 2.291 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000588315958 469138519 /nfs/dbraw/zinc/13/85/19/469138519.db2.gz LYDHILUODNNIOP-OAHLLOKOSA-N 1 0 330.388 2.162 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000596253521 469222686 /nfs/dbraw/zinc/22/26/86/469222686.db2.gz VHFDQVYKBMPONN-UHFFFAOYSA-N 1 0 342.827 2.220 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000611442681 469251193 /nfs/dbraw/zinc/25/11/93/469251193.db2.gz AOKBSOVRRUSGRJ-UHFFFAOYSA-N 1 0 332.360 2.003 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000611572443 469282720 /nfs/dbraw/zinc/28/27/20/469282720.db2.gz FMHJWVXJBJFUSA-INIZCTEOSA-N 1 0 329.404 2.088 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596570399 469303226 /nfs/dbraw/zinc/30/32/26/469303226.db2.gz JWHJKNNTHDDURM-CYBMUJFWSA-N 1 0 348.403 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000611707052 469306824 /nfs/dbraw/zinc/30/68/24/469306824.db2.gz NEIVOZULUYWIBZ-ZDUSSCGKSA-N 1 0 327.388 2.460 20 5 EEBDRO O=C(N1CC[C@]2(CC[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602481960 469334846 /nfs/dbraw/zinc/33/48/46/469334846.db2.gz CJBODWAQJNFRHH-KRWDZBQOSA-N 1 0 329.400 2.229 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602493900 469340068 /nfs/dbraw/zinc/34/00/68/469340068.db2.gz SZHHRPBTPGYULG-WPRPVWTQSA-N 1 0 342.193 2.228 20 5 EEBDRO Cc1ccncc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120831 469400067 /nfs/dbraw/zinc/40/00/67/469400067.db2.gz YKTXECCJVPZGLO-KBPBESRZSA-N 1 0 331.372 2.389 20 5 EEBDRO CN(C)c1cc[nH+]c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000612347475 469443620 /nfs/dbraw/zinc/44/36/20/469443620.db2.gz ZCCXNZZXCMCKMZ-UHFFFAOYSA-N 1 0 329.360 2.131 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604474695 469481058 /nfs/dbraw/zinc/48/10/58/469481058.db2.gz CRNHLKKKBRMSOI-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748773 469791172 /nfs/dbraw/zinc/79/11/72/469791172.db2.gz CTXLYROMEAXPPE-CXAGYDPISA-N 1 0 347.415 2.068 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])cc1O ZINC000608781843 469877067 /nfs/dbraw/zinc/87/70/67/469877067.db2.gz AZIRIORYDLZAGY-CYBMUJFWSA-N 1 0 344.371 2.055 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483861 469931381 /nfs/dbraw/zinc/93/13/81/469931381.db2.gz MKXXRTCFHSOUNS-GOSISDBHSA-N 1 0 343.383 2.339 20 5 EEBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000602457119 485639633 /nfs/dbraw/zinc/63/96/33/485639633.db2.gz FUBYYCSOVZGREU-OAHLLOKOSA-N 1 0 341.367 2.063 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000449785922 485720119 /nfs/dbraw/zinc/72/01/19/485720119.db2.gz JXRAWYWFKINHRE-HNNXBMFYSA-N 1 0 335.404 2.376 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158418145 528025612 /nfs/dbraw/zinc/02/56/12/528025612.db2.gz HOZXNBMRASGCRH-MRXNPFEDSA-N 1 0 348.447 2.414 20 5 EEBDRO CC[NH+](CC)CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000191813076 528105938 /nfs/dbraw/zinc/10/59/38/528105938.db2.gz BNFISLGAYZQQGC-UHFFFAOYSA-N 1 0 348.447 2.085 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000161236366 529046147 /nfs/dbraw/zinc/04/61/47/529046147.db2.gz KAAUSSWDQWYEDJ-GFCCVEGCSA-N 1 0 349.840 2.242 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000456163259 535321238 /nfs/dbraw/zinc/32/12/38/535321238.db2.gz FUDHXQANMDMIOP-UHFFFAOYSA-N 1 0 325.413 2.292 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451733940 536139909 /nfs/dbraw/zinc/13/99/09/536139909.db2.gz VUSAWSTZNHYWKU-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CCC[NH+](CCC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726584639 576277760 /nfs/dbraw/zinc/27/77/60/576277760.db2.gz HQGHKNPVJLNGFY-UHFFFAOYSA-N 1 0 334.376 2.443 20 5 EEBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581048 577463097 /nfs/dbraw/zinc/46/30/97/577463097.db2.gz CZRPIZMVRCZLLY-RHSMWYFYSA-N 1 0 349.431 2.112 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)CCc2ccccc2)cc1 ZINC000776581303 577463120 /nfs/dbraw/zinc/46/31/20/577463120.db2.gz BVABMXUSGCQUMV-SFHVURJKSA-N 1 0 330.384 2.165 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000765435648 577501071 /nfs/dbraw/zinc/50/10/71/577501071.db2.gz AJPVXNLUHDNLGS-STQMWFEESA-N 1 0 343.387 2.323 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000766376709 577518069 /nfs/dbraw/zinc/51/80/69/577518069.db2.gz OSXSXTJXONHMFF-GJZGRUSLSA-N 1 0 329.404 2.344 20 5 EEBDRO CCc1ccc(C(=O)OCCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000767555036 577539542 /nfs/dbraw/zinc/53/95/42/577539542.db2.gz IVVHSPDEHOQTLW-GASCZTMLSA-N 1 0 334.372 2.177 20 5 EEBDRO CC1(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000760898612 577671664 /nfs/dbraw/zinc/67/16/64/577671664.db2.gz JUZQSEYJOUGGLV-UHFFFAOYSA-N 1 0 336.388 2.449 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761055691 577675165 /nfs/dbraw/zinc/67/51/65/577675165.db2.gz MHPBLNWRUKTIDD-ZYHUDNBSSA-N 1 0 334.294 2.219 20 5 EEBDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743252115 577882200 /nfs/dbraw/zinc/88/22/00/577882200.db2.gz LMVJNVNEWHYDDF-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO COC(=O)CC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000750105021 577987176 /nfs/dbraw/zinc/98/71/76/577987176.db2.gz IGWYRVOTQZACKY-OAHLLOKOSA-N 1 0 336.388 2.484 20 5 EEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736247626 578190642 /nfs/dbraw/zinc/19/06/42/578190642.db2.gz GCSRLBLWIFVOSE-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000160498147 676292707 /nfs/dbraw/zinc/29/27/07/676292707.db2.gz LZQXDDQEXMQEGQ-UHFFFAOYSA-N 1 0 338.364 2.367 20 5 EEBDRO CC(C)Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022063739 676628373 /nfs/dbraw/zinc/62/83/73/676628373.db2.gz KNVSWMWTUSVKIE-XMTFNYHQSA-N 1 0 345.443 2.287 20 5 EEBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1OC ZINC000891490543 676674381 /nfs/dbraw/zinc/67/43/81/676674381.db2.gz WZDOPBTUIRFYBQ-GFCCVEGCSA-N 1 0 349.391 2.060 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000891622611 676731175 /nfs/dbraw/zinc/73/11/75/676731175.db2.gz HOTVRVLVKMYBOH-UHFFFAOYSA-N 1 0 342.399 2.363 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC001022447002 677712808 /nfs/dbraw/zinc/71/28/08/677712808.db2.gz YNCFROPGQIEEHO-PHIMTYICSA-N 1 0 338.364 2.174 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892219242 678268580 /nfs/dbraw/zinc/26/85/80/678268580.db2.gz ZEMFWJAJPNZARA-KGLIPLIRSA-N 1 0 335.404 2.368 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000892537692 681628656 /nfs/dbraw/zinc/62/86/56/681628656.db2.gz YRLDTCNYYHFFOU-MRXNPFEDSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC000983152020 681906755 /nfs/dbraw/zinc/90/67/55/681906755.db2.gz ANJUPSFSTGZTEB-MQMHXKEQSA-N 1 0 328.372 2.221 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)cc1[N+](=O)[O-] ZINC000892715043 682826721 /nfs/dbraw/zinc/82/67/21/682826721.db2.gz VDUMKSTUHKTZRR-OLZOCXBDSA-N 1 0 340.351 2.327 20 5 EEBDRO CCCN(CCC[NH+](C)C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894480795 682919720 /nfs/dbraw/zinc/91/97/20/682919720.db2.gz KSRUJQIXDLKHPM-UHFFFAOYSA-N 1 0 325.409 2.473 20 5 EEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119644398 683569101 /nfs/dbraw/zinc/56/91/01/683569101.db2.gz DKBWWYQISTUVSS-UHFFFAOYSA-N 1 0 347.462 2.151 20 5 EEBDRO Cc1c(C(=O)NCCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000915173897 684059079 /nfs/dbraw/zinc/05/90/79/684059079.db2.gz YFYGJVGXWUZQSZ-UHFFFAOYSA-N 1 0 338.364 2.272 20 5 EEBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[NH+]1CCCC1 ZINC000128628554 693966682 /nfs/dbraw/zinc/96/66/82/693966682.db2.gz BCMIDJJZLBLOGI-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO O=C(c1ccc[nH]1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989930850 692480562 /nfs/dbraw/zinc/48/05/62/692480562.db2.gz GVGJJEXILVLMCS-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)c1ccc(C)cc1 ZINC000871875794 1197947961 /nfs/dbraw/zinc/94/79/61/1197947961.db2.gz OUFBBOMIVZWXKE-MRXNPFEDSA-N 1 0 345.403 2.131 20 5 EEBDRO COc1ccc(CNC(=O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873023684 1198477471 /nfs/dbraw/zinc/47/74/71/1198477471.db2.gz RWVHEXGQWMSITN-UHFFFAOYSA-N 1 0 343.383 2.318 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131599 1199286385 /nfs/dbraw/zinc/28/63/85/1199286385.db2.gz MESNSHYDMSVZOQ-GJZGRUSLSA-N 1 0 336.779 2.425 20 5 EEBDRO COc1ccc(CC(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810846798 1199776121 /nfs/dbraw/zinc/77/61/21/1199776121.db2.gz KAVAIZFVAYQAEA-UONOGXRCSA-N 1 0 334.372 2.316 20 5 EEBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCC1 ZINC000876957670 1199829814 /nfs/dbraw/zinc/82/98/14/1199829814.db2.gz YVYLPZJBJWDODD-OAHLLOKOSA-N 1 0 347.463 2.423 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877346608 1199910090 /nfs/dbraw/zinc/91/00/90/1199910090.db2.gz SMSLUSPKNIAZCT-HNNXBMFYSA-N 1 0 325.368 2.348 20 5 EEBDRO Cn1ncc(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000877550834 1199963090 /nfs/dbraw/zinc/96/30/90/1199963090.db2.gz MYPZOCJLJMWXES-UHFFFAOYSA-N 1 0 343.309 2.465 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccnc(N(C)C)n1 ZINC000866313468 1201490375 /nfs/dbraw/zinc/49/03/75/1201490375.db2.gz BFYOWOMICJDOBH-NSHDSACASA-N 1 0 333.367 2.311 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868280710 1201782252 /nfs/dbraw/zinc/78/22/52/1201782252.db2.gz HENTXMXCDLVGSM-JSGCOSHPSA-N 1 0 335.379 2.362 20 5 EEBDRO CC1CCN(Cc2cn(C[C@@H](O)c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000883994081 1202193111 /nfs/dbraw/zinc/19/31/11/1202193111.db2.gz KUTRTFMWRCGNTQ-QGZVFWFLSA-N 1 0 345.403 2.152 20 5 EEBDRO C[NH2+]CCOc1cccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000884082026 1202227148 /nfs/dbraw/zinc/22/71/48/1202227148.db2.gz RRKHJUOGAGHHJX-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000886424092 1202506626 /nfs/dbraw/zinc/50/66/26/1202506626.db2.gz ZIEPILXKIHOUHE-DLBZAZTESA-N 1 0 332.404 2.009 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887134401 1204213935 /nfs/dbraw/zinc/21/39/35/1204213935.db2.gz JDQMCCQAXKJONH-KBXCAEBGSA-N 1 0 342.399 2.234 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCSC1 ZINC000826638678 1204629937 /nfs/dbraw/zinc/62/99/37/1204629937.db2.gz PAIWRMOGYXUFQR-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000927696698 1206291928 /nfs/dbraw/zinc/29/19/28/1206291928.db2.gz CIOAPNZNCYSLIN-DLBZAZTESA-N 1 0 340.383 2.476 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3F)C2)nc1 ZINC000245434248 1212378034 /nfs/dbraw/zinc/37/80/34/1212378034.db2.gz CDMFXJAMCGJMSM-WBMJQRKESA-N 1 0 346.362 2.349 20 5 EEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000795694750 1214948217 /nfs/dbraw/zinc/94/82/17/1214948217.db2.gz RCUICRIVFTXNIX-OAGGEKHMSA-N 1 0 328.372 2.253 20 5 EEBDRO O=C(NCC1([NH2+]CCCCCF)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530835 1215197884 /nfs/dbraw/zinc/19/78/84/1215197884.db2.gz UKRCYKPDIPQIPN-ZIAGYGMSSA-N 1 0 329.416 2.200 20 5 EEBDRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000796112276 1215306831 /nfs/dbraw/zinc/30/68/31/1215306831.db2.gz IXWRQQRTXHZVFV-AWEZNQCLSA-N 1 0 334.372 2.305 20 5 EEBDRO CC[NH+](CC)Cc1ccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000801427759 1235564462 /nfs/dbraw/zinc/56/44/62/1235564462.db2.gz ZIIQQBDBEUWFQU-UHFFFAOYSA-N 1 0 346.387 2.490 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)ccc1[N+](=O)[O-] ZINC001097074144 1243659676 /nfs/dbraw/zinc/65/96/76/1243659676.db2.gz PEXLYKSCNLWYDK-SHTZXODSSA-N 1 0 346.431 2.447 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867092815 1282828377 /nfs/dbraw/zinc/82/83/77/1282828377.db2.gz JCOXZMOLCHHROK-LBPRGKRZSA-N 1 0 337.395 2.465 20 5 EEBDRO O=C(COCC1CC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199470920 1285668449 /nfs/dbraw/zinc/66/84/49/1285668449.db2.gz HMFLQQUEGFAVKN-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCCCCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000857232740 1293766565 /nfs/dbraw/zinc/76/65/65/1293766565.db2.gz LBXVFKKWONOVPK-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858537720 1294147917 /nfs/dbraw/zinc/14/79/17/1294147917.db2.gz QVBPMCAQLMHCAH-IXBGWNDUSA-N 1 0 344.371 2.458 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858580160 1294159347 /nfs/dbraw/zinc/15/93/47/1294159347.db2.gz WPCYFUQXZLLPDJ-QWRGUYRKSA-N 1 0 325.365 2.052 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000859967966 1294730219 /nfs/dbraw/zinc/73/02/19/1294730219.db2.gz QPLTXPGTGDGOQS-FOGDFJRCSA-N 1 0 341.795 2.278 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860789576 1295112592 /nfs/dbraw/zinc/11/25/92/1295112592.db2.gz GPCJMAIKUOMVCG-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO CC[C@H]1C[C@H](C)CN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637206 1296500738 /nfs/dbraw/zinc/50/07/38/1296500738.db2.gz QNVXUEBVSJTCHR-RYUDHWBXSA-N 1 0 332.360 2.489 20 5 EEBDRO Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CCC[NH2+]C4)c3nc2cc1C ZINC001217962530 1297537549 /nfs/dbraw/zinc/53/75/49/1297537549.db2.gz XQJXIHMWNUOKHO-LLVKDONJSA-N 1 0 325.372 2.026 20 5 EEBDRO O=c1c2c(O[C@@H]3CCC[NH2+]C3)cc(O)cc2oc2c(O)ccc(O)c12 ZINC001218287410 1297622726 /nfs/dbraw/zinc/62/27/26/1297622726.db2.gz YTNBRTQQVKSGPX-SNVBAGLBSA-N 1 0 343.335 2.194 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)CCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001101643655 1299715682 /nfs/dbraw/zinc/71/56/82/1299715682.db2.gz TTZWPLBJAXPQAI-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO COC(=O)[C@@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC001223641591 1300206525 /nfs/dbraw/zinc/20/65/25/1300206525.db2.gz BILXUGWMUVCHMW-ZWUHOBOKSA-N 1 0 334.372 2.451 20 5 EEBDRO Cc1cc(I)cnc1O[C@@H](C)C[N+](C)(C)C ZINC001226411316 1301398906 /nfs/dbraw/zinc/39/89/06/1301398906.db2.gz VVTGQAQDVAKHCF-JTQLQIEISA-N 1 0 335.209 2.468 20 5 EEBDRO CS(=O)(=O)c1ccc(OC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001228659762 1302363811 /nfs/dbraw/zinc/36/38/11/1302363811.db2.gz CKDDBHMPOKRDAN-UHFFFAOYSA-N 1 0 340.401 2.004 20 5 EEBDRO CC[N@H+](C)[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001230367558 1303180548 /nfs/dbraw/zinc/18/05/48/1303180548.db2.gz DWGMHDZOIZOHBP-ZDUSSCGKSA-N 1 0 340.811 2.484 20 5 EEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCC1 ZINC000782390211 1304057099 /nfs/dbraw/zinc/05/70/99/1304057099.db2.gz BBAYOOWZLOYFCR-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158679733 1319374283 /nfs/dbraw/zinc/37/42/83/1319374283.db2.gz XBDBPPDGWYBERQ-GFCCVEGCSA-N 1 0 331.829 2.325 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000829243742 1314492189 /nfs/dbraw/zinc/49/21/89/1314492189.db2.gz JUNUDGOECJGFLI-ZDUSSCGKSA-N 1 0 346.431 2.408 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000830355631 1314534447 /nfs/dbraw/zinc/53/44/47/1314534447.db2.gz LCCIQCCXVIXNBQ-IAGOWNOFSA-N 1 0 334.347 2.481 20 5 EEBDRO CC(C)NC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000840891368 1315428996 /nfs/dbraw/zinc/42/89/96/1315428996.db2.gz RNACICFQXGMOFL-CYBMUJFWSA-N 1 0 334.420 2.066 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)(C)C[NH+]1CCCC1 ZINC000841467654 1315559663 /nfs/dbraw/zinc/55/96/63/1315559663.db2.gz PKSBBXHGWRLINR-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000842575720 1315724987 /nfs/dbraw/zinc/72/49/87/1315724987.db2.gz DAPGZQYDBCQFOE-JTQLQIEISA-N 1 0 328.332 2.153 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000842870278 1315788276 /nfs/dbraw/zinc/78/82/76/1315788276.db2.gz XZNLMBQIHYXWGS-SNVBAGLBSA-N 1 0 349.840 2.352 20 5 EEBDRO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094825 1315840453 /nfs/dbraw/zinc/84/04/53/1315840453.db2.gz LUTNUDJBANIJGX-YJBOKZPZSA-N 1 0 346.383 2.003 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843454168 1315917770 /nfs/dbraw/zinc/91/77/70/1315917770.db2.gz OJFNQSDWOYOWBS-LBPRGKRZSA-N 1 0 336.348 2.026 20 5 EEBDRO COCc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001150635652 1316323767 /nfs/dbraw/zinc/32/37/67/1316323767.db2.gz HARIUOVCOLAUKG-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001152078355 1316629288 /nfs/dbraw/zinc/62/92/88/1316629288.db2.gz PFFLEOQXPFDPHO-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1csc(C2CC2)n1 ZINC001153408350 1316824636 /nfs/dbraw/zinc/82/46/36/1316824636.db2.gz BDHPOHGKPAJFSP-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO CCOc1nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155459523 1317605994 /nfs/dbraw/zinc/60/59/94/1317605994.db2.gz UDURRKUYDZTGJP-CYBMUJFWSA-N 1 0 345.403 2.412 20 5 EEBDRO Cc1cc(Cl)nc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155476457 1317613503 /nfs/dbraw/zinc/61/35/03/1317613503.db2.gz FSESQHMSSPCOTL-SNVBAGLBSA-N 1 0 326.784 2.132 20 5 EEBDRO COc1cc(C)nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001155826210 1317750824 /nfs/dbraw/zinc/75/08/24/1317750824.db2.gz CQZAVOZNQYBYGO-XJKSGUPXSA-N 1 0 336.392 2.020 20 5 EEBDRO CN1CCC(CNc2cc(Cl)ncc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001156176987 1317908056 /nfs/dbraw/zinc/90/80/56/1317908056.db2.gz XHFIFOIGFIUXDH-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476994 1318083179 /nfs/dbraw/zinc/08/31/79/1318083179.db2.gz YWVUQJCWNUUZRR-KDOFPFPSSA-N 1 0 332.448 2.493 20 5 EEBDRO COC(=O)c1ccnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254537410 1318114169 /nfs/dbraw/zinc/11/41/69/1318114169.db2.gz DIELLRSVZKXZGO-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2nccc(Cl)c2[N+](=O)[O-])COC1 ZINC001156627958 1318118637 /nfs/dbraw/zinc/11/86/37/1318118637.db2.gz HPMJODVGFCGRAH-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO CC[N@@H+]1CCO[C@@H]2CN([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557301 1318120496 /nfs/dbraw/zinc/12/04/96/1318120496.db2.gz PGSZQAZJABSYRC-UWWQBHOKSA-N 1 0 333.432 2.178 20 5 EEBDRO COC(=O)c1csc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254568402 1318125015 /nfs/dbraw/zinc/12/50/15/1318125015.db2.gz UHCABZWOMVJMFI-LLVKDONJSA-N 1 0 333.369 2.095 20 5 EEBDRO COC[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(C)nc21 ZINC001254594319 1318136537 /nfs/dbraw/zinc/13/65/37/1318136537.db2.gz DKYTVRNEGUYUNP-RDJZCZTQSA-N 1 0 342.399 2.041 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ncccn1)[C@H]1CCC[NH2+]C1)C2 ZINC001254604351 1318142812 /nfs/dbraw/zinc/14/28/12/1318142812.db2.gz VXNAWOCXLIOHEC-IRXDYDNUSA-N 1 0 339.399 2.111 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@H]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084256 1318642261 /nfs/dbraw/zinc/64/22/61/1318642261.db2.gz XQQPIVPXMKRDMJ-BBRMVZONSA-N 1 0 349.431 2.323 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC[C@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256098491 1318647018 /nfs/dbraw/zinc/64/70/18/1318647018.db2.gz BBGIKVHTOFFBJD-SFHVURJKSA-N 1 0 349.431 2.419 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157689111 1318797778 /nfs/dbraw/zinc/79/77/78/1318797778.db2.gz GQYXAYUOJNJEIY-RKDXNWHRSA-N 1 0 346.218 2.470 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157895577 1318920847 /nfs/dbraw/zinc/92/08/47/1318920847.db2.gz HDJAHUBWDBKRCY-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N3CCO[C@@H](C[NH+]4CCCC4)C3)ccc21 ZINC001158309692 1319164644 /nfs/dbraw/zinc/16/46/44/1319164644.db2.gz RDGAXTAWOVFCIP-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001159596322 1319907460 /nfs/dbraw/zinc/90/74/60/1319907460.db2.gz YPKCNLDGIOXUKO-LBPRGKRZSA-N 1 0 339.355 2.409 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159636617 1319927894 /nfs/dbraw/zinc/92/78/94/1319927894.db2.gz FJGLMSIRSBHPNL-UHFFFAOYSA-N 1 0 327.388 2.447 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001160475823 1320172593 /nfs/dbraw/zinc/17/25/93/1320172593.db2.gz JUTUGIUAIAISGF-CNDDSTCGSA-N 1 0 334.376 2.204 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(CC3CC3)CCC[NH2+]2)n1 ZINC001162353074 1320835643 /nfs/dbraw/zinc/83/56/43/1320835643.db2.gz JFBHIUMLLTUASY-MRXNPFEDSA-N 1 0 334.376 2.111 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@]2(F)CCCC[NH2+]C2)s1 ZINC001162579950 1320903451 /nfs/dbraw/zinc/90/34/51/1320903451.db2.gz KYYSZZQRHMNARZ-CYBMUJFWSA-N 1 0 325.369 2.493 20 5 EEBDRO COc1nc(SC)nc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162843284 1320972157 /nfs/dbraw/zinc/97/21/57/1320972157.db2.gz CWQHCLZPJRKRQF-SNVBAGLBSA-N 1 0 347.400 2.137 20 5 EEBDRO COc1cc2ncnc(NC3CC4(C3)CCC[NH2+]C4)c2cc1[N+](=O)[O-] ZINC001162981527 1321003784 /nfs/dbraw/zinc/00/37/84/1321003784.db2.gz KFRZQMKAESSCTH-UHFFFAOYSA-N 1 0 343.387 2.491 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163080445 1321030049 /nfs/dbraw/zinc/03/00/49/1321030049.db2.gz GITLOKWBYQZCLS-MRXNPFEDSA-N 1 0 335.404 2.481 20 5 EEBDRO COCC(C)(C)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001163153816 1321052968 /nfs/dbraw/zinc/05/29/68/1321052968.db2.gz OCZRKEBEOUDAKD-UHFFFAOYSA-N 1 0 343.449 2.315 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CO[C@]3(C1)CCC[NH2+]C3)CCCC2 ZINC001163275886 1321085642 /nfs/dbraw/zinc/08/56/42/1321085642.db2.gz BCGPQSHPBMTOKQ-UGSOOPFHSA-N 1 0 346.431 2.439 20 5 EEBDRO O=[N+]([O-])c1cccc2cnc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279404 1321086561 /nfs/dbraw/zinc/08/65/61/1321086561.db2.gz MHIDIUUWLHMTJH-SJCJKPOMSA-N 1 0 343.387 2.109 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001163362400 1321105671 /nfs/dbraw/zinc/10/56/71/1321105671.db2.gz NDOFXTCUSYPTIP-DGCLKSJQSA-N 1 0 336.392 2.307 20 5 EEBDRO CN(CC[NH+](C)C)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001163591117 1321164847 /nfs/dbraw/zinc/16/48/47/1321164847.db2.gz PRJYSTVGDZTEQG-UHFFFAOYSA-N 1 0 327.694 2.055 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001165090000 1321452359 /nfs/dbraw/zinc/45/23/59/1321452359.db2.gz WXRXRSULMGBFHT-DOTOQJQBSA-N 1 0 339.399 2.404 20 5 EEBDRO C[N@H+](C1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1)[C@@H]1CCOC1 ZINC001165205148 1321471628 /nfs/dbraw/zinc/47/16/28/1321471628.db2.gz CQANCRNDKUHKAN-CYBMUJFWSA-N 1 0 328.372 2.052 20 5 EEBDRO COc1cc2ncnc(N3CCC4(CC([NH3+])C4)CC3)c2cc1[N+](=O)[O-] ZINC001165244259 1321482250 /nfs/dbraw/zinc/48/22/50/1321482250.db2.gz XHGWFKWVNQLYIK-UHFFFAOYSA-N 1 0 343.387 2.254 20 5 EEBDRO Cc1c[n+]([O-])c(NCC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165426847 1321523727 /nfs/dbraw/zinc/52/37/27/1321523727.db2.gz DYZMDUZCRPTVGJ-UHFFFAOYSA-N 1 0 328.372 2.081 20 5 EEBDRO CC(C)(C)N(c1ncc([N+](=O)[O-])cc1N)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165669248 1321561890 /nfs/dbraw/zinc/56/18/90/1321561890.db2.gz IOJYXWMWXXNIDX-CYBMUJFWSA-N 1 0 349.435 2.088 20 5 EEBDRO CCc1ncoc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001166282915 1321691960 /nfs/dbraw/zinc/69/19/60/1321691960.db2.gz LBIFLNYTTYFPQA-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO O=C(CCc1cncs1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001166750281 1321780969 /nfs/dbraw/zinc/78/09/69/1321780969.db2.gz BMRWGSKSUARINO-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc([N+](=O)[O-])ccn2)C1 ZINC001166871310 1321805946 /nfs/dbraw/zinc/80/59/46/1321805946.db2.gz YYXUDAGITAOUCP-JTQLQIEISA-N 1 0 333.417 2.178 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001262559703 1322322453 /nfs/dbraw/zinc/32/24/53/1322322453.db2.gz UFUHZLSFNMZUIQ-NSHDSACASA-N 1 0 328.210 2.142 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C2CC[NH+](C)CC2)n1C ZINC001262835246 1322381832 /nfs/dbraw/zinc/38/18/32/1322381832.db2.gz LFNLFBZDTIUJCB-UHFFFAOYSA-N 1 0 344.419 2.169 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[C@@H]1O ZINC001307594512 1331541170 /nfs/dbraw/zinc/54/11/70/1331541170.db2.gz GBOFYBAAFMSMMC-FZMZJTMJSA-N 1 0 332.360 2.238 20 5 EEBDRO [NH3+]CCN(Cc1cnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001308747300 1331604560 /nfs/dbraw/zinc/60/45/60/1331604560.db2.gz OWUWMFFXBOBOBH-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001319328697 1332685528 /nfs/dbraw/zinc/68/55/28/1332685528.db2.gz PRJXNXMNAHNIFU-WFASDCNBSA-N 1 0 331.376 2.106 20 5 EEBDRO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326018492 1334015391 /nfs/dbraw/zinc/01/53/91/1334015391.db2.gz MYQVQVJBYQGUPV-UHFFFAOYSA-N 1 0 337.379 2.439 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001326075216 1334023442 /nfs/dbraw/zinc/02/34/42/1334023442.db2.gz JIBMLHFHZHKZGL-MRVPVSSYSA-N 1 0 332.307 2.316 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC001327617067 1334323335 /nfs/dbraw/zinc/32/33/35/1334323335.db2.gz QEGVEYOTZOZJQY-NSHDSACASA-N 1 0 331.376 2.387 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001329465531 1334655947 /nfs/dbraw/zinc/65/59/47/1334655947.db2.gz NOFDVWUCWPTZSN-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333877648 1336159706 /nfs/dbraw/zinc/15/97/06/1336159706.db2.gz YVGUDJCRFGOKFH-ZDUSSCGKSA-N 1 0 332.404 2.004 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(Cc2ccccc2Cl)CC1 ZINC001342931050 1337324008 /nfs/dbraw/zinc/32/40/08/1337324008.db2.gz IGVGGKAHCFRZDT-UHFFFAOYSA-N 1 0 335.795 2.304 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCN(CC(F)F)CC2)cc1 ZINC001346340183 1337482896 /nfs/dbraw/zinc/48/28/96/1337482896.db2.gz PALZTKXNMGJJOL-OAHLLOKOSA-N 1 0 343.374 2.195 20 5 EEBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100542994 1338485435 /nfs/dbraw/zinc/48/54/35/1338485435.db2.gz JNXPSYXQTFWSBO-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533263 1338715757 /nfs/dbraw/zinc/71/57/57/1338715757.db2.gz GCNAXGMVTDBAHU-ZDUSSCGKSA-N 1 0 326.418 2.385 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576487443 1344022423 /nfs/dbraw/zinc/02/24/23/1344022423.db2.gz QOFFYBVMJNDVFS-NSHDSACASA-N 1 0 331.294 2.484 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC001579877171 1344424789 /nfs/dbraw/zinc/42/47/89/1344424789.db2.gz BEEPPVUTGAHTDY-HNNXBMFYSA-N 1 0 345.403 2.039 20 5 EEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]([NH3+])c1ccccc1 ZINC001579993367 1344445381 /nfs/dbraw/zinc/44/53/81/1344445381.db2.gz VIRZAATVQBREGT-VIFPVBQESA-N 1 0 329.282 2.459 20 5 EEBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001580815534 1344562764 /nfs/dbraw/zinc/56/27/64/1344562764.db2.gz KABMXPXDSWJUGN-QWRGUYRKSA-N 1 0 341.314 2.163 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC001590260623 1349235224 /nfs/dbraw/zinc/23/52/24/1349235224.db2.gz QLFBESVWZYTUIT-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001590445668 1349326820 /nfs/dbraw/zinc/32/68/20/1349326820.db2.gz HZHUCECZFNRMIA-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1-c1nn[nH]n1 ZINC001593478019 1349810902 /nfs/dbraw/zinc/81/09/02/1349810902.db2.gz OUMCJHSTBYVYPP-DZGCQCFKSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCC(CCF)CC1 ZINC001593482175 1349813630 /nfs/dbraw/zinc/81/36/30/1349813630.db2.gz MCAZMCLBMQVPDR-UHFFFAOYSA-N 1 0 334.355 2.347 20 5 EEBDRO Cc1noc(CON=C(N)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000853699823 1369369967 /nfs/dbraw/zinc/36/99/67/1369369967.db2.gz PABQPGXLPTUTQL-UWVGGRQHSA-N 1 0 325.369 2.153 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308748 1369887859 /nfs/dbraw/zinc/88/78/59/1369887859.db2.gz VBSTWRSMICKCIN-BVGQSLNGSA-N 1 0 346.431 2.195 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C1 ZINC000839537329 1372908863 /nfs/dbraw/zinc/90/88/63/1372908863.db2.gz WSJDFASQMANPAF-DTTOXWODSA-N 1 0 345.443 2.446 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCC[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001576484390 1403578594 /nfs/dbraw/zinc/57/85/94/1403578594.db2.gz VJJMOKYRZKKISF-PBHICJAKSA-N 1 0 335.404 2.090 20 5 EEBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091350542 790346838 /nfs/dbraw/zinc/34/68/38/790346838.db2.gz SNXJHNWTKBGJSJ-OTVXOJSOSA-N 1 0 334.420 2.243 20 5 EEBDRO [NH3+]CCN(Cc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000809734401 783317998 /nfs/dbraw/zinc/31/79/98/783317998.db2.gz CQWKAZHORJUFJV-UHFFFAOYSA-N 1 0 329.356 2.331 20 5 EEBDRO Cc1cccc([C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000905903500 783560622 /nfs/dbraw/zinc/56/06/22/783560622.db2.gz HURQOORSTIJEHR-KRWDZBQOSA-N 1 0 342.399 2.154 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906349575 783854773 /nfs/dbraw/zinc/85/47/73/783854773.db2.gz BNPPNUTZJRTMRY-UHFFFAOYSA-N 1 0 335.404 2.484 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906790828 784160949 /nfs/dbraw/zinc/16/09/49/784160949.db2.gz JHTKHGIDBHYTMM-SKDRFNHKSA-N 1 0 340.811 2.243 20 5 EEBDRO C[N@H+](CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001091520607 791060616 /nfs/dbraw/zinc/06/06/16/791060616.db2.gz PNZOSACTYJXFDB-HDJSIYSDSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818563440 785293810 /nfs/dbraw/zinc/29/38/10/785293810.db2.gz LJJCGIPRIMHTDP-ZIAGYGMSSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000818947916 785337683 /nfs/dbraw/zinc/33/76/83/785337683.db2.gz UMZSWVDRFUDQAS-KRWDZBQOSA-N 1 0 342.399 2.413 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979534 785348459 /nfs/dbraw/zinc/34/84/59/785348459.db2.gz PLLHODGAKZCTKN-YOEHRIQHSA-N 1 0 341.367 2.023 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000818982342 785351279 /nfs/dbraw/zinc/35/12/79/785351279.db2.gz LAFSQCSDJVKPPE-AWEZNQCLSA-N 1 0 347.337 2.245 20 5 EEBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819015984 785383300 /nfs/dbraw/zinc/38/33/00/785383300.db2.gz DOFRTNNLGPPXBD-SFHVURJKSA-N 1 0 343.383 2.419 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107391524 787105766 /nfs/dbraw/zinc/10/57/66/787105766.db2.gz JXWJCYUOGKNQOF-HJWRWDBZSA-N 1 0 334.420 2.409 20 5 EEBDRO CNc1nccc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912808462 788367585 /nfs/dbraw/zinc/36/75/85/788367585.db2.gz ZAWHTMKPMLMYOS-TZMCWYRMSA-N 1 0 349.435 2.224 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000923312019 789371648 /nfs/dbraw/zinc/37/16/48/789371648.db2.gz GITVLXPPKKKQOV-LSDHHAIUSA-N 1 0 344.415 2.478 20 5 EEBDRO COC(=O)Cc1ccc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000845761418 789935945 /nfs/dbraw/zinc/93/59/45/789935945.db2.gz OJCCCYGYHVOSBT-UHFFFAOYSA-N 1 0 335.404 2.232 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)co1 ZINC000991665919 790015734 /nfs/dbraw/zinc/01/57/34/790015734.db2.gz CHWPIQQFEGWVIY-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(CC[NH+]1CCCCC1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093686482 795555214 /nfs/dbraw/zinc/55/52/14/795555214.db2.gz LDJAWPBQICCXNS-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO Cc1cc(NCCNC(=O)c2occc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094072818 795913347 /nfs/dbraw/zinc/91/33/47/795913347.db2.gz LDHJGYGSJOOBLA-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO O=C(CCC[NH+]1CCCCC1)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094440963 796246931 /nfs/dbraw/zinc/24/69/31/796246931.db2.gz GNTNGXSRGWVNGA-UHFFFAOYSA-N 1 0 349.435 2.174 20 5 EEBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908133 797133240 /nfs/dbraw/zinc/13/32/40/797133240.db2.gz BBMVICGUCWVMMF-ZIFCJYIRSA-N 1 0 346.427 2.437 20 5 EEBDRO CN1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173005445 797193072 /nfs/dbraw/zinc/19/30/72/797193072.db2.gz GJNCWPLTMOIUSW-LBPRGKRZSA-N 1 0 340.374 2.136 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ccc(C[NH3+])cc2=N)c1F ZINC001173175115 797276398 /nfs/dbraw/zinc/27/63/98/797276398.db2.gz AALZAUSETMSPAT-JTQLQIEISA-N 1 0 334.351 2.286 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@](C)(C(N)=O)C(C)C)c1F ZINC001173180601 797278756 /nfs/dbraw/zinc/27/87/56/797278756.db2.gz XBDWWKVIOLZBSS-QLJPJBMISA-N 1 0 341.383 2.163 20 5 EEBDRO CCN(CC(=O)OC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194592 797283666 /nfs/dbraw/zinc/28/36/66/797283666.db2.gz VZKMZDAVJLULRW-JTQLQIEISA-N 1 0 328.340 2.168 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccccc1C(N)=O ZINC001173219591 797300382 /nfs/dbraw/zinc/30/03/82/797300382.db2.gz DRJFSDIBXZLIJT-ZDUSSCGKSA-N 1 0 343.383 2.293 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001173233970 797312408 /nfs/dbraw/zinc/31/24/08/797312408.db2.gz NHJQRYHPLBKOIG-CYBMUJFWSA-N 1 0 345.399 2.045 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001095235434 797568791 /nfs/dbraw/zinc/56/87/91/797568791.db2.gz AKJGSGKFOFGBPG-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[NH+](C)CCCC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089985266 798823867 /nfs/dbraw/zinc/82/38/67/798823867.db2.gz KUSWBLSTOHTKSF-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC001177924026 799183335 /nfs/dbraw/zinc/18/33/35/799183335.db2.gz NZHHZCVCEDTKCP-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO Cc1conc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086527667 803413708 /nfs/dbraw/zinc/41/37/08/803413708.db2.gz BJLQJPVKBYKSED-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168974667 803557720 /nfs/dbraw/zinc/55/77/20/803557720.db2.gz SCVALJDVWOZTJP-XDQVBPFNSA-N 1 0 327.425 2.325 20 5 EEBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168993571 803561361 /nfs/dbraw/zinc/56/13/61/803561361.db2.gz NHAGQQOSTNKLAL-STQMWFEESA-N 1 0 327.425 2.469 20 5 EEBDRO COc1cccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168997057 803562583 /nfs/dbraw/zinc/56/25/83/803562583.db2.gz BLASXKIOFXVGMJ-GJZGRUSLSA-N 1 0 349.431 2.173 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013412 803571018 /nfs/dbraw/zinc/57/10/18/803571018.db2.gz UXDRSNVOWFRAEC-UONOGXRCSA-N 1 0 339.436 2.375 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990908 803574420 /nfs/dbraw/zinc/57/44/20/803574420.db2.gz FHRFLJKWTOMJFD-RCBQFDQVSA-N 1 0 335.379 2.075 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991331 803574504 /nfs/dbraw/zinc/57/45/04/803574504.db2.gz GJAQLWUQMBTDBL-KCXAZCMYSA-N 1 0 335.379 2.075 20 5 EEBDRO CC(C)OCc1ncn2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169027413 803575188 /nfs/dbraw/zinc/57/51/88/803575188.db2.gz PIPJDLATMIMXTN-LSDHHAIUSA-N 1 0 336.436 2.459 20 5 EEBDRO O=C(c1ccccc1F)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169029039 803576379 /nfs/dbraw/zinc/57/63/79/803576379.db2.gz UCCYITUCJSALJS-KBPBESRZSA-N 1 0 335.379 2.029 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)C1 ZINC001169019348 803587507 /nfs/dbraw/zinc/58/75/07/803587507.db2.gz HXUIYMWGAKSEHL-RYRKJORJSA-N 1 0 345.447 2.214 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052481 803595785 /nfs/dbraw/zinc/59/57/85/803595785.db2.gz GFEYOFBYELCRDX-YIYPIFLZSA-N 1 0 327.425 2.419 20 5 EEBDRO CCOC(=O)C1(Nc2cnc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169492455 803816412 /nfs/dbraw/zinc/81/64/12/803816412.db2.gz OERQYLDSKJJRKG-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000790080988 808374724 /nfs/dbraw/zinc/37/47/24/808374724.db2.gz UAGXMWYLTQQMPK-UHFFFAOYSA-N 1 0 340.351 2.278 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170296277 809869852 /nfs/dbraw/zinc/86/98/52/809869852.db2.gz GDFABMVPZDQEAI-SWLSCSKDSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC001170352400 809900949 /nfs/dbraw/zinc/90/09/49/809900949.db2.gz MPDUJAGIWBRYDD-SJCJKPOMSA-N 1 0 349.387 2.109 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355730 809903080 /nfs/dbraw/zinc/90/30/80/809903080.db2.gz QNPVAHZVPPPQJF-YVEFUNNKSA-N 1 0 336.388 2.419 20 5 EEBDRO CC1(C)CC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC(C)(C)O1 ZINC001170361329 809906601 /nfs/dbraw/zinc/90/66/01/809906601.db2.gz KZRHLXYNJSAUBE-UHFFFAOYSA-N 1 0 335.408 2.220 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344412 809916200 /nfs/dbraw/zinc/91/62/00/809916200.db2.gz BUZABINFALJLBQ-UKRRQHHQSA-N 1 0 345.403 2.463 20 5 EEBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001157743099 810079196 /nfs/dbraw/zinc/07/91/96/810079196.db2.gz HHDGGRDATMMARH-WDSKDSINSA-N 1 0 339.705 2.373 20 5 EEBDRO O=C(CCc1ccsc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129464252 810855733 /nfs/dbraw/zinc/85/57/33/810855733.db2.gz KHVPVJKVZZLPQA-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO Cc1nc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001130272568 811387382 /nfs/dbraw/zinc/38/73/82/811387382.db2.gz DIELLVRASABEQO-UHFFFAOYSA-N 1 0 348.428 2.117 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2ncccc2o1 ZINC001131443382 812835440 /nfs/dbraw/zinc/83/54/40/812835440.db2.gz MVDBFFHHRMEPFX-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001523018779 1119597923 /nfs/dbraw/zinc/59/79/23/1119597923.db2.gz NCIXNIKFYHCLSM-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000049969259 214039036 /nfs/dbraw/zinc/03/90/36/214039036.db2.gz XIQHQMWPJNZUJV-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1(O)CCCC1 ZINC000181773592 529871361 /nfs/dbraw/zinc/87/13/61/529871361.db2.gz XIENYRJHVSSYIV-UHFFFAOYSA-N 1 0 339.367 2.299 20 5 EEBDRO Cn1cc(C[NH+]2CCC(C)(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179721902 233370831 /nfs/dbraw/zinc/37/08/31/233370831.db2.gz PYJVQFUGXCPCRQ-UHFFFAOYSA-N 1 0 330.388 2.342 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237134910 283563671 /nfs/dbraw/zinc/56/36/71/283563671.db2.gz HEKQMHRAWNFFHQ-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414941433 238758219 /nfs/dbraw/zinc/75/82/19/238758219.db2.gz CLWAMKUTHKFZOO-IUCAKERBSA-N 1 0 344.318 2.397 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422716704 240192310 /nfs/dbraw/zinc/19/23/10/240192310.db2.gz VEPGBRMTWRKUBX-JTQLQIEISA-N 1 0 329.809 2.161 20 5 EEBDRO Cc1c(CC(=O)N2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000422872527 240267873 /nfs/dbraw/zinc/26/78/73/240267873.db2.gz HMJDGPAWQNSRAK-UHFFFAOYSA-N 1 0 331.416 2.436 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605207 242184043 /nfs/dbraw/zinc/18/40/43/242184043.db2.gz DWEPEBQBGSTRRR-GJZGRUSLSA-N 1 0 332.404 2.140 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCO3)o2)c1 ZINC000447971295 242346747 /nfs/dbraw/zinc/34/67/47/242346747.db2.gz JYVKWGZPOBPOKJ-WBVHZDCISA-N 1 0 332.356 2.484 20 5 EEBDRO [NH3+]C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000237870591 242829816 /nfs/dbraw/zinc/82/98/16/242829816.db2.gz VXCFIFWDSGKGNF-AWEZNQCLSA-N 1 0 339.367 2.137 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451534644 243147930 /nfs/dbraw/zinc/14/79/30/243147930.db2.gz XXMWFHZWSFLWTI-YSVLISHTSA-N 1 0 338.404 2.081 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451699149 243211070 /nfs/dbraw/zinc/21/10/70/243211070.db2.gz UJILYQFOWGKSNG-WBOJAVRRSA-N 1 0 347.415 2.405 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592685 243170731 /nfs/dbraw/zinc/17/07/31/243170731.db2.gz AFHMDVKOPCNKPG-RDTXWAMCSA-N 1 0 347.415 2.228 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459755450 245237161 /nfs/dbraw/zinc/23/71/61/245237161.db2.gz OQTQFCXJLSGOLT-RYUDHWBXSA-N 1 0 331.376 2.396 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCn1cccn1 ZINC000111280589 220132951 /nfs/dbraw/zinc/13/29/51/220132951.db2.gz WMTQMMRLXWMMPB-UHFFFAOYSA-N 1 0 331.376 2.060 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000266133130 248119741 /nfs/dbraw/zinc/11/97/41/248119741.db2.gz KSDNOAYPUVEIRU-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000266362455 248265283 /nfs/dbraw/zinc/26/52/83/248265283.db2.gz FHWBWYKDWGYFDZ-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519644 248342120 /nfs/dbraw/zinc/34/21/20/248342120.db2.gz COCJKZXDCSQYFY-SJORKVTESA-N 1 0 330.388 2.298 20 5 EEBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523253 248343692 /nfs/dbraw/zinc/34/36/92/248343692.db2.gz CWJMEYAYWUOKLO-RDJZCZTQSA-N 1 0 330.388 2.298 20 5 EEBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000266561822 248361439 /nfs/dbraw/zinc/36/14/39/248361439.db2.gz JRNSRNBISRHODF-ZBFHGGJFSA-N 1 0 332.404 2.462 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188258000 284895975 /nfs/dbraw/zinc/89/59/75/284895975.db2.gz ATLGNGJRBLGRCK-UHFFFAOYSA-N 1 0 341.433 2.091 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000087136448 255754483 /nfs/dbraw/zinc/75/44/83/255754483.db2.gz CXQPWLUUFPZMQH-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCOCC4)CC3)ccc2c1 ZINC000267078551 256024732 /nfs/dbraw/zinc/02/47/32/256024732.db2.gz RZNXQVPZXDSEHK-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267364621 256052324 /nfs/dbraw/zinc/05/23/24/256052324.db2.gz WYVVQKVLDOUFHQ-WHWKNOJMSA-N 1 0 335.429 2.162 20 5 EEBDRO Cc1nc2n(n1)CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000267399794 256055817 /nfs/dbraw/zinc/05/58/17/256055817.db2.gz QMPFOMQRIXVGJI-UHFFFAOYSA-N 1 0 331.376 2.298 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000273391322 256292567 /nfs/dbraw/zinc/29/25/67/256292567.db2.gz IBIMKTBYSMMJRY-XXILOJSOSA-N 1 0 343.305 2.423 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000273422946 256295169 /nfs/dbraw/zinc/29/51/69/256295169.db2.gz ZCHXXHBKHAHYRZ-DZGCQCFKSA-N 1 0 331.372 2.500 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000274072387 256351370 /nfs/dbraw/zinc/35/13/70/256351370.db2.gz RLHDHOVDLYEJBQ-MNOVXSKESA-N 1 0 338.360 2.139 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277166800 256503330 /nfs/dbraw/zinc/50/33/30/256503330.db2.gz KODIHWQISSKYKD-HIFRSBDPSA-N 1 0 334.420 2.338 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451222004 533408478 /nfs/dbraw/zinc/40/84/78/533408478.db2.gz LANRPLAUQGNGGV-XYFKWLIISA-N 1 0 331.416 2.451 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157182830 533520226 /nfs/dbraw/zinc/52/02/26/533520226.db2.gz RSGNAHQXVGSABT-ZIAGYGMSSA-N 1 0 333.388 2.160 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475306 142360808 /nfs/dbraw/zinc/36/08/08/142360808.db2.gz LIBTUJKPNXKFIA-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000357769559 153335577 /nfs/dbraw/zinc/33/55/77/153335577.db2.gz CJPLBVMFBAAFCE-UHFFFAOYSA-N 1 0 332.198 2.169 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365829681 153661694 /nfs/dbraw/zinc/66/16/94/153661694.db2.gz HNLFXYCLTJEJKO-OAHLLOKOSA-N 1 0 329.360 2.067 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262064800 160436899 /nfs/dbraw/zinc/43/68/99/160436899.db2.gz SAGVVLLRZXQEGY-CYBMUJFWSA-N 1 0 342.193 2.168 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246174435 160265716 /nfs/dbraw/zinc/26/57/16/160265716.db2.gz BLVCZGCBHZUDFQ-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000341342967 160982928 /nfs/dbraw/zinc/98/29/28/160982928.db2.gz GOYCVHMBOWMRLB-UHFFFAOYSA-N 1 0 344.367 2.479 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499980 161070039 /nfs/dbraw/zinc/07/00/39/161070039.db2.gz OSHRQNAHIPURON-LRDDRELGSA-N 1 0 342.399 2.148 20 5 EEBDRO [NH3+]C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000342596458 161076597 /nfs/dbraw/zinc/07/65/97/161076597.db2.gz SITSJAXROSGJQH-UHFFFAOYSA-N 1 0 332.385 2.330 20 5 EEBDRO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000343550774 161145981 /nfs/dbraw/zinc/14/59/81/161145981.db2.gz GZTFAPXDAZNDSS-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343803975 161169689 /nfs/dbraw/zinc/16/96/89/161169689.db2.gz WEHNNHIPRBFLNO-YMTOWFKASA-N 1 0 327.331 2.014 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000345317998 161291228 /nfs/dbraw/zinc/29/12/28/161291228.db2.gz LJSTYAPYKCNZCM-HZMBPMFUSA-N 1 0 344.371 2.061 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000345739928 161327794 /nfs/dbraw/zinc/32/77/94/161327794.db2.gz QSPIPESYUMHGNZ-UHFFFAOYSA-N 1 0 328.332 2.107 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000352693040 162248874 /nfs/dbraw/zinc/24/88/74/162248874.db2.gz IWTXQBKAYPKLEZ-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352695661 162250193 /nfs/dbraw/zinc/25/01/93/162250193.db2.gz IPFWLCDVRPMCLU-FZQKWOKYSA-N 1 0 341.795 2.420 20 5 EEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356254661 163381583 /nfs/dbraw/zinc/38/15/83/163381583.db2.gz PLKGJZGQRDSJCP-LRDDRELGSA-N 1 0 330.388 2.355 20 5 EEBDRO Cc1c(C[NH2+]Cc2cnc(N3CCOCC3)s2)cccc1[N+](=O)[O-] ZINC000359801290 164174958 /nfs/dbraw/zinc/17/49/58/164174958.db2.gz PPHFVMSXGOZQCX-UHFFFAOYSA-N 1 0 348.428 2.486 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000359973584 164207575 /nfs/dbraw/zinc/20/75/75/164207575.db2.gz BKAIGHOGZFVCMG-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000360313590 164282418 /nfs/dbraw/zinc/28/24/18/164282418.db2.gz CEYNFSXCXCSOBY-LBPRGKRZSA-N 1 0 335.404 2.340 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000368147822 166059281 /nfs/dbraw/zinc/05/92/81/166059281.db2.gz IOSJUMIAEQPQOE-HNNXBMFYSA-N 1 0 330.388 2.041 20 5 EEBDRO COc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000368805200 166130508 /nfs/dbraw/zinc/13/05/08/166130508.db2.gz ICEAZGNZWWJNNC-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000374032011 167006914 /nfs/dbraw/zinc/00/69/14/167006914.db2.gz IMCCIARAPJZWHH-HNNXBMFYSA-N 1 0 347.415 2.369 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)CC2 ZINC000374854960 167051909 /nfs/dbraw/zinc/05/19/09/167051909.db2.gz JIZOJUZQPYWEHQ-UHFFFAOYSA-N 1 0 336.367 2.017 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000124208185 222392254 /nfs/dbraw/zinc/39/22/54/222392254.db2.gz BYWDXGUHCUHTCC-DGCLKSJQSA-N 1 0 342.399 2.360 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCCCO)CC3)nc2c1 ZINC000274871140 269067379 /nfs/dbraw/zinc/06/73/79/269067379.db2.gz XGGJSWSVOTYMJR-UHFFFAOYSA-N 1 0 347.419 2.146 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000277094824 269142220 /nfs/dbraw/zinc/14/22/20/269142220.db2.gz BWCCIHDUDDTXMH-NSHDSACASA-N 1 0 331.376 2.027 20 5 EEBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278789894 269243200 /nfs/dbraw/zinc/24/32/00/269243200.db2.gz XZWSDFBWNBJGOG-QGPMSJSTSA-N 1 0 344.415 2.339 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)CCc2cnccn2)cccc1[N+](=O)[O-] ZINC000271374758 274126195 /nfs/dbraw/zinc/12/61/95/274126195.db2.gz SAGGAIALVDUPCE-UHFFFAOYSA-N 1 0 343.387 2.196 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274740055 274219941 /nfs/dbraw/zinc/21/99/41/274219941.db2.gz VLULSBZFVIQZTO-YGRLFVJLSA-N 1 0 331.376 2.048 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000275106041 274223776 /nfs/dbraw/zinc/22/37/76/274223776.db2.gz LVTGKUXXXNBYJS-NSHDSACASA-N 1 0 331.294 2.095 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342697 274349196 /nfs/dbraw/zinc/34/91/96/274349196.db2.gz MACRONZMNWLQOA-MAZHCROVSA-N 1 0 326.393 2.048 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000279243352 274459632 /nfs/dbraw/zinc/45/96/32/274459632.db2.gz QQCABRZNGXRVKF-UHFFFAOYSA-N 1 0 338.383 2.312 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000285338261 274714817 /nfs/dbraw/zinc/71/48/17/274714817.db2.gz UQEHQISOHLRMDD-OCCSQVGLSA-N 1 0 342.417 2.049 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029324 274928417 /nfs/dbraw/zinc/92/84/17/274928417.db2.gz LRHYIIUDPATNDE-WBMJQRKESA-N 1 0 338.429 2.387 20 5 EEBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000422626942 274953491 /nfs/dbraw/zinc/95/34/91/274953491.db2.gz MEAOXNMZLZGHRF-CQSZACIVSA-N 1 0 340.383 2.313 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288114628 275025414 /nfs/dbraw/zinc/02/54/14/275025414.db2.gz XYTVQAPSPYXOAZ-WMLDXEAASA-N 1 0 346.431 2.406 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000289728502 275143347 /nfs/dbraw/zinc/14/33/47/275143347.db2.gz XODBPHUFWFYHAW-SNVBAGLBSA-N 1 0 349.840 2.255 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290438675 275207316 /nfs/dbraw/zinc/20/73/16/275207316.db2.gz BSCZJUGSENOWLR-GFCCVEGCSA-N 1 0 335.408 2.013 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262708430 278513143 /nfs/dbraw/zinc/51/31/43/278513143.db2.gz CACGHDKVSPBCMD-BDAKNGLRSA-N 1 0 342.193 2.180 20 5 EEBDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000366441171 280768758 /nfs/dbraw/zinc/76/87/58/280768758.db2.gz XWQJFMDQKMSFCT-ZMSDIMECSA-N 1 0 347.415 2.227 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281770370 292785986 /nfs/dbraw/zinc/78/59/86/292785986.db2.gz SITJUVPVZOOOGK-GOSISDBHSA-N 1 0 344.367 2.234 20 5 EEBDRO O=c1[nH]c(N2CC[C@H](C[NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000293180998 293145366 /nfs/dbraw/zinc/14/53/66/293145366.db2.gz VUCXRYLKBZATLZ-GFCCVEGCSA-N 1 0 343.387 2.166 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000293647572 293260299 /nfs/dbraw/zinc/26/02/99/293260299.db2.gz OMTXKLMBUOUSNY-DZGCQCFKSA-N 1 0 326.418 2.083 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000296564806 294009569 /nfs/dbraw/zinc/00/95/69/294009569.db2.gz CZRULZATLGUZIU-MRXNPFEDSA-N 1 0 334.376 2.163 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000296787486 294067390 /nfs/dbraw/zinc/06/73/90/294067390.db2.gz BJSOCVRGAPQDDE-UHFFFAOYSA-N 1 0 335.408 2.188 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000297294606 294203887 /nfs/dbraw/zinc/20/38/87/294203887.db2.gz XJMWWWJHHDXDPF-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO Cn1cncc1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297745185 294329437 /nfs/dbraw/zinc/32/94/37/294329437.db2.gz KQOHKBRNVQVWKT-UHFFFAOYSA-N 1 0 330.388 2.414 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299252744 294697690 /nfs/dbraw/zinc/69/76/90/294697690.db2.gz PPTIPJTVNQTWLN-UHFFFAOYSA-N 1 0 347.371 2.182 20 5 EEBDRO C[NH+]1CCC(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000299624050 294789879 /nfs/dbraw/zinc/78/98/79/294789879.db2.gz FGLMYRONIMFZBI-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO COc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000331049178 311811293 /nfs/dbraw/zinc/81/12/93/311811293.db2.gz HHMLOQWYNIIXJV-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO COC(=O)[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414485339 313033585 /nfs/dbraw/zinc/03/35/85/313033585.db2.gz HXYGEDGFDMQFLE-IDJPSDCMSA-N 1 0 347.415 2.035 20 5 EEBDRO COc1cc(CN[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414898401 313109237 /nfs/dbraw/zinc/10/92/37/313109237.db2.gz SYVBWEHWGBFXDW-SECBINFHSA-N 1 0 333.335 2.074 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414950965 313114149 /nfs/dbraw/zinc/11/41/49/313114149.db2.gz PHWHNRGRPKPENA-BDAKNGLRSA-N 1 0 344.318 2.458 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415490950 313131609 /nfs/dbraw/zinc/13/16/09/313131609.db2.gz AUNHKFTVKOBYIG-WCFLWFBJSA-N 1 0 334.376 2.195 20 5 EEBDRO COC(=O)c1cc(NC(=O)C23CCC[NH+]2CCC3)c(C)c([N+](=O)[O-])c1 ZINC000415522012 313139782 /nfs/dbraw/zinc/13/97/82/313139782.db2.gz VFKQVMSVFIWIFF-UHFFFAOYSA-N 1 0 347.371 2.257 20 5 EEBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000418308423 313779246 /nfs/dbraw/zinc/77/92/46/313779246.db2.gz AHPZKXSXNPKGAW-DZGCQCFKSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421008002 314022109 /nfs/dbraw/zinc/02/21/09/314022109.db2.gz CWLDZFIWVLDIDT-ZIAGYGMSSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000421783507 314163610 /nfs/dbraw/zinc/16/36/10/314163610.db2.gz FVQQEVPRWSKKDD-UHFFFAOYSA-N 1 0 349.431 2.177 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440404741 315128862 /nfs/dbraw/zinc/12/88/62/315128862.db2.gz GBLXRJKHZRUDRB-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000444296138 315289158 /nfs/dbraw/zinc/28/91/58/315289158.db2.gz UIKYXEQRIAQUKV-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000489264314 315771928 /nfs/dbraw/zinc/77/19/28/315771928.db2.gz LSKNGIXLUVMZJT-HOCLYGCPSA-N 1 0 349.435 2.179 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000507272161 316376408 /nfs/dbraw/zinc/37/64/08/316376408.db2.gz KEMZERREXPUCKE-NRUUGDAUSA-N 1 0 339.417 2.272 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CO2 ZINC000515348237 316483063 /nfs/dbraw/zinc/48/30/63/316483063.db2.gz XISSKCPZTDSCPP-ZFWWWQNUSA-N 1 0 344.367 2.366 20 5 EEBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537972630 318030795 /nfs/dbraw/zinc/03/07/95/318030795.db2.gz SWFLNBHKSROOHE-WFASDCNBSA-N 1 0 341.433 2.041 20 5 EEBDRO C[N@@H+](Cc1cccc(O)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348389 318097489 /nfs/dbraw/zinc/09/74/89/318097489.db2.gz CUZZSCXORSYOTC-OAHLLOKOSA-N 1 0 332.356 2.172 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000565345055 319173804 /nfs/dbraw/zinc/17/38/04/319173804.db2.gz KHBBEDACQUMGEJ-LLVKDONJSA-N 1 0 331.376 2.164 20 5 EEBDRO CC1(C)[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000566121554 319248218 /nfs/dbraw/zinc/24/82/18/319248218.db2.gz JHBDDPQSUYDZRX-IKGGRYGDSA-N 1 0 344.415 2.182 20 5 EEBDRO [NH3+]CCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000566356264 319278393 /nfs/dbraw/zinc/27/83/93/319278393.db2.gz TWBNLYLVEQTNKM-UHFFFAOYSA-N 1 0 340.811 2.248 20 5 EEBDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568991906 319536708 /nfs/dbraw/zinc/53/67/08/319536708.db2.gz YQRSHBCWZIIIJM-WMLDXEAASA-N 1 0 346.431 2.498 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]Cc2ccccc21 ZINC000574568334 320036747 /nfs/dbraw/zinc/03/67/47/320036747.db2.gz JIMSVRMYZIOLPM-HNNXBMFYSA-N 1 0 340.383 2.010 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000182319117 323372555 /nfs/dbraw/zinc/37/25/55/323372555.db2.gz QYPUFYFHURDNFF-HOCLYGCPSA-N 1 0 333.388 2.031 20 5 EEBDRO [NH3+][C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000579581636 323885247 /nfs/dbraw/zinc/88/52/47/323885247.db2.gz OVAFASGYXLMAFG-OAHLLOKOSA-N 1 0 325.368 2.444 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cs1 ZINC000579973279 323968757 /nfs/dbraw/zinc/96/87/57/323968757.db2.gz XYZSTFBCJLDWOQ-CQSZACIVSA-N 1 0 325.434 2.343 20 5 EEBDRO CCCc1nc(C)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000581938963 324345099 /nfs/dbraw/zinc/34/50/99/324345099.db2.gz DIXLJBGNLPWLGB-AWEZNQCLSA-N 1 0 349.387 2.373 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000582652260 324496010 /nfs/dbraw/zinc/49/60/10/324496010.db2.gz HSNMBLAHSZWPHW-MRXNPFEDSA-N 1 0 349.456 2.429 20 5 EEBDRO C[N@H+](CCOc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315800 465028658 /nfs/dbraw/zinc/02/86/58/465028658.db2.gz GLGBPXLOFIHPDJ-OAHLLOKOSA-N 1 0 346.383 2.345 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032836 465058160 /nfs/dbraw/zinc/05/81/60/465058160.db2.gz ZUVRIFKRBFPZEM-CZUORRHYSA-N 1 0 347.415 2.356 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000341277645 465088900 /nfs/dbraw/zinc/08/89/00/465088900.db2.gz MFXOEVJKFUVJFN-UMVBOHGHSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341821978 465262991 /nfs/dbraw/zinc/26/29/91/465262991.db2.gz KCECBEJJUUPUPL-XQQFMLRXSA-N 1 0 334.420 2.472 20 5 EEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337324607 465306082 /nfs/dbraw/zinc/30/60/82/465306082.db2.gz UKIKQPHRFDDMFD-GFCCVEGCSA-N 1 0 337.376 2.197 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114147972 462628929 /nfs/dbraw/zinc/62/89/29/462628929.db2.gz HXIDZJDAXOQQRX-CHWSQXEVSA-N 1 0 337.445 2.486 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000074763919 462632137 /nfs/dbraw/zinc/63/21/37/462632137.db2.gz NSXKVRSORVLYEJ-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115273193 462704181 /nfs/dbraw/zinc/70/41/81/462704181.db2.gz CFFHNZZNWHDDGB-RHSMWYFYSA-N 1 0 349.431 2.462 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064904755 462727778 /nfs/dbraw/zinc/72/77/78/462727778.db2.gz MMTORNGMGBRFOM-AWEZNQCLSA-N 1 0 332.360 2.262 20 5 EEBDRO CC(C)C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000154616820 462788595 /nfs/dbraw/zinc/78/85/95/462788595.db2.gz ZQBMGOLSWKEFMF-CQSZACIVSA-N 1 0 325.384 2.369 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)CCOCC1)C1CC1 ZINC000090661202 462806053 /nfs/dbraw/zinc/80/60/53/462806053.db2.gz IBFRJQVEWSXVHQ-INIZCTEOSA-N 1 0 334.416 2.295 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066125542 462853862 /nfs/dbraw/zinc/85/38/62/462853862.db2.gz CMXBCGBYMXAEEE-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536418 462902065 /nfs/dbraw/zinc/90/20/65/462902065.db2.gz JQOZYTWVAUHTHV-OAHLLOKOSA-N 1 0 346.431 2.402 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156091771 462978373 /nfs/dbraw/zinc/97/83/73/462978373.db2.gz LQLGLJKBPAGJGK-UHFFFAOYSA-N 1 0 331.376 2.107 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000067998378 463078635 /nfs/dbraw/zinc/07/86/35/463078635.db2.gz DGJVNPSTBBYJJL-QHLGLPELSA-N 1 0 347.415 2.224 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134420 463096785 /nfs/dbraw/zinc/09/67/85/463096785.db2.gz XCGAKAPIRAGFFW-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000157251103 463112567 /nfs/dbraw/zinc/11/25/67/463112567.db2.gz RFIHDLJXCKNSCB-ZBFHGGJFSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988681 463130079 /nfs/dbraw/zinc/13/00/79/463130079.db2.gz ZGYVUVAURORTSN-CQSZACIVSA-N 1 0 343.431 2.499 20 5 EEBDRO C[NH+](C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000053152577 463136762 /nfs/dbraw/zinc/13/67/62/463136762.db2.gz STVNYHPXNZGTCM-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO COc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000553117400 468350055 /nfs/dbraw/zinc/35/00/55/468350055.db2.gz CCDVGQIYCUXBPB-YIONKMFJSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1cc(NC[C@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083942 463319491 /nfs/dbraw/zinc/31/94/91/463319491.db2.gz DEOCJNBDVFGOFL-GFCCVEGCSA-N 1 0 335.385 2.441 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069803473 463327703 /nfs/dbraw/zinc/32/77/03/463327703.db2.gz UMXOTARKKICIKQ-INIZCTEOSA-N 1 0 349.431 2.018 20 5 EEBDRO CC(=O)NCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903450 463359493 /nfs/dbraw/zinc/35/94/93/463359493.db2.gz OGNUCGAHQZYKSA-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160920440 463382247 /nfs/dbraw/zinc/38/22/47/463382247.db2.gz CBBXXTHMBOYEPT-ZDUSSCGKSA-N 1 0 333.388 2.107 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150829004 463435202 /nfs/dbraw/zinc/43/52/02/463435202.db2.gz PSUOPGLKSRUWRS-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162281477 463498157 /nfs/dbraw/zinc/49/81/57/463498157.db2.gz XNSLGLSPBRMHOL-VXGBXAGGSA-N 1 0 341.795 2.403 20 5 EEBDRO CNc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000072877761 463558300 /nfs/dbraw/zinc/55/83/00/463558300.db2.gz GHCAMIPMYRVEEW-UHFFFAOYSA-N 1 0 338.327 2.470 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000108332686 463598089 /nfs/dbraw/zinc/59/80/89/463598089.db2.gz OCAQXLWQZVZNHD-LBPRGKRZSA-N 1 0 332.404 2.241 20 5 EEBDRO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000177545922 463732917 /nfs/dbraw/zinc/73/29/17/463732917.db2.gz FJRYIZQHONSURT-UHFFFAOYSA-N 1 0 347.213 2.133 20 5 EEBDRO Cc1nnc([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268412730 463734699 /nfs/dbraw/zinc/73/46/99/463734699.db2.gz AZYOKPSYTDEMDI-CYBMUJFWSA-N 1 0 331.376 2.280 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000193924100 463759740 /nfs/dbraw/zinc/75/97/40/463759740.db2.gz FUJDRPOKFUVHAM-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000171126325 463791509 /nfs/dbraw/zinc/79/15/09/463791509.db2.gz RYLGVHIDQYKEOS-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000283202469 463802456 /nfs/dbraw/zinc/80/24/56/463802456.db2.gz ZMRDZWUBICTNRQ-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000185605673 463849378 /nfs/dbraw/zinc/84/93/78/463849378.db2.gz QKZVGWTYQIGUOV-CMPLNLGQSA-N 1 0 335.360 2.382 20 5 EEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000171455438 463867189 /nfs/dbraw/zinc/86/71/89/463867189.db2.gz JCZYCIIQTNEYMS-GFCCVEGCSA-N 1 0 348.359 2.122 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262340829 464006006 /nfs/dbraw/zinc/00/60/06/464006006.db2.gz SUOVRZIQITVFEG-JPZVUWATSA-N 1 0 347.415 2.373 20 5 EEBDRO CCS(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279149961 464045145 /nfs/dbraw/zinc/04/51/45/464045145.db2.gz SNSZJOCOZAIWDR-AWEZNQCLSA-N 1 0 326.418 2.342 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153700 464045168 /nfs/dbraw/zinc/04/51/68/464045168.db2.gz ASWVAVPVRYFUFU-MFKMUULPSA-N 1 0 341.795 2.327 20 5 EEBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645942 464045924 /nfs/dbraw/zinc/04/59/24/464045924.db2.gz KZNIISJAZHWMSP-NVXWUHKLSA-N 1 0 349.431 2.257 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153697 464046051 /nfs/dbraw/zinc/04/60/51/464046051.db2.gz ASWVAVPVRYFUFU-GXFFZTMASA-N 1 0 341.795 2.327 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C2)C1 ZINC000292270398 464181296 /nfs/dbraw/zinc/18/12/96/464181296.db2.gz LMYVSXHSNRXDSH-KRWDZBQOSA-N 1 0 346.387 2.083 20 5 EEBDRO CCc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000179762875 464183551 /nfs/dbraw/zinc/18/35/51/464183551.db2.gz OGIGHRZISCULLH-UHFFFAOYSA-N 1 0 349.431 2.076 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000270251711 464233828 /nfs/dbraw/zinc/23/38/28/464233828.db2.gz FOOFPIHHHOEKDW-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000270567059 464260282 /nfs/dbraw/zinc/26/02/82/464260282.db2.gz NHXGGYUQZFVGFS-NWDGAFQWSA-N 1 0 341.383 2.024 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237534117 464336155 /nfs/dbraw/zinc/33/61/55/464336155.db2.gz PTKPDVPCBDGKPX-CYBMUJFWSA-N 1 0 341.433 2.089 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000271769939 464378196 /nfs/dbraw/zinc/37/81/96/464378196.db2.gz IKJGLMAFBCAMPX-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264605249 464391063 /nfs/dbraw/zinc/39/10/63/464391063.db2.gz DSZDKSQNKZOOQS-LLVKDONJSA-N 1 0 328.372 2.290 20 5 EEBDRO O=C(NCCN1CC[NH2+]CC1)c1cc2ccccc2c2cccnc12 ZINC000238086102 464430597 /nfs/dbraw/zinc/43/05/97/464430597.db2.gz MVUHWMZXXNLMPB-UHFFFAOYSA-N 1 0 334.423 2.023 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339729986 465473421 /nfs/dbraw/zinc/47/34/21/465473421.db2.gz DCHKTAQJWKNRKP-INIZCTEOSA-N 1 0 335.404 2.228 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189138010 464441630 /nfs/dbraw/zinc/44/16/30/464441630.db2.gz IYYFSSVOSYOLMG-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000264817285 464477162 /nfs/dbraw/zinc/47/71/62/464477162.db2.gz XJZUAEKYNUFAJQ-NSHDSACASA-N 1 0 332.326 2.271 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351447 464482008 /nfs/dbraw/zinc/48/20/08/464482008.db2.gz KFKXMGYCMANPFN-LSDHHAIUSA-N 1 0 330.388 2.244 20 5 EEBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000294407943 464492277 /nfs/dbraw/zinc/49/22/77/464492277.db2.gz AMEYEAFUDZTUEV-GFCCVEGCSA-N 1 0 333.388 2.157 20 5 EEBDRO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181695093 464521655 /nfs/dbraw/zinc/52/16/55/464521655.db2.gz SNGCLXMOECJLJB-CABCVRRESA-N 1 0 341.433 2.060 20 5 EEBDRO COC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225431 464526166 /nfs/dbraw/zinc/52/61/66/464526166.db2.gz SVHAMYOINBTEFD-WFASDCNBSA-N 1 0 333.388 2.220 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000281632195 464527714 /nfs/dbraw/zinc/52/77/14/464527714.db2.gz QOYRHWWWBXKUFS-HUUCEWRRSA-N 1 0 349.431 2.471 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1SC ZINC000272280805 464549358 /nfs/dbraw/zinc/54/93/58/464549358.db2.gz ONLFUCMKKQFVAY-ZJUUUORDSA-N 1 0 339.417 2.135 20 5 EEBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190047498 464590982 /nfs/dbraw/zinc/59/09/82/464590982.db2.gz FAXMJFOJDNLEIS-LRDDRELGSA-N 1 0 330.388 2.198 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000282038245 464675899 /nfs/dbraw/zinc/67/58/99/464675899.db2.gz UISDXIOCHBMQBY-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000593884200 468419866 /nfs/dbraw/zinc/41/98/66/468419866.db2.gz UYMNQMSNPBSESS-UHFFFAOYSA-N 1 0 335.404 2.470 20 5 EEBDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288431 464740386 /nfs/dbraw/zinc/74/03/86/464740386.db2.gz OSYNDPBXHQRDBT-MYODQAERSA-N 1 0 336.417 2.222 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccncc2)CC1 ZINC000265969444 464753236 /nfs/dbraw/zinc/75/32/36/464753236.db2.gz ASXNIBNDSBXLDS-UHFFFAOYSA-N 1 0 342.399 2.458 20 5 EEBDRO COc1cccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248861439 464812369 /nfs/dbraw/zinc/81/23/69/464812369.db2.gz METACXBSIOXKGM-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183185369 464815933 /nfs/dbraw/zinc/81/59/33/464815933.db2.gz IVSAVWMNFQHNJT-LOWVWBTDSA-N 1 0 332.360 2.409 20 5 EEBDRO C[C@@H]1CN(c2ccccc2F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000191623001 464823238 /nfs/dbraw/zinc/82/32/38/464823238.db2.gz UKYPEKJJBOBNQK-CYBMUJFWSA-N 1 0 333.367 2.141 20 5 EEBDRO CC[N@H+](CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000282496764 464840991 /nfs/dbraw/zinc/84/09/91/464840991.db2.gz ROTGMYKZCDZRPJ-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1C ZINC000183421713 464862703 /nfs/dbraw/zinc/86/27/03/464862703.db2.gz BPUWUBXWEKWLFS-ZBEGNZNMSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000249456412 464876710 /nfs/dbraw/zinc/87/67/10/464876710.db2.gz YBWRVEPDJKJVFN-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO COCCN(C)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000276576659 464985685 /nfs/dbraw/zinc/98/56/85/464985685.db2.gz AGRVMHLQVGQCLT-UHFFFAOYSA-N 1 0 344.415 2.405 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022240 465022943 /nfs/dbraw/zinc/02/29/43/465022943.db2.gz PDXZLSYGJIDVGA-XJKSGUPXSA-N 1 0 332.404 2.366 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930786 465396110 /nfs/dbraw/zinc/39/61/10/465396110.db2.gz VKXBZCIAWQRORL-NWDGAFQWSA-N 1 0 328.372 2.433 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000348164381 465460946 /nfs/dbraw/zinc/46/09/46/465460946.db2.gz SRSYZCHMYKNBKE-QWHCGFSZSA-N 1 0 334.376 2.205 20 5 EEBDRO Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579308 465530521 /nfs/dbraw/zinc/53/05/21/465530521.db2.gz KFZNTNJAJMZVSB-RDTXWAMCSA-N 1 0 342.399 2.464 20 5 EEBDRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000356975629 465672201 /nfs/dbraw/zinc/67/22/01/465672201.db2.gz BHZMMZDPADIIAZ-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000591326211 468448180 /nfs/dbraw/zinc/44/81/80/468448180.db2.gz IBWIVJORMGTODV-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO O=[N+]([O-])c1cc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000344556501 465674378 /nfs/dbraw/zinc/67/43/78/465674378.db2.gz ZHUUXQHWQJHLAH-KRWDZBQOSA-N 1 0 347.440 2.383 20 5 EEBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000555010704 468455776 /nfs/dbraw/zinc/45/57/76/468455776.db2.gz JMTVJLQAZSAGCE-QGZVFWFLSA-N 1 0 342.399 2.500 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871748 465839065 /nfs/dbraw/zinc/83/90/65/465839065.db2.gz RFTNUXQUXAFJAV-RHSMWYFYSA-N 1 0 348.447 2.362 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C)CC1 ZINC000340169239 465839056 /nfs/dbraw/zinc/83/90/56/465839056.db2.gz VNPMBHWIAPHXJN-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000345191151 465841346 /nfs/dbraw/zinc/84/13/46/465841346.db2.gz PHJOIGHWNPCFGZ-NEPJUHHUSA-N 1 0 336.392 2.085 20 5 EEBDRO CC[NH+](CC)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353463988 465902693 /nfs/dbraw/zinc/90/26/93/465902693.db2.gz STVAKHJVLNYUTK-INIZCTEOSA-N 1 0 331.420 2.349 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])c(N)c1F ZINC000362648168 465909719 /nfs/dbraw/zinc/90/97/19/465909719.db2.gz HFYXYDCWLLBKBS-UHFFFAOYSA-N 1 0 328.388 2.111 20 5 EEBDRO Cn1c2ccc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc2oc1=O ZINC000353494766 465929294 /nfs/dbraw/zinc/92/92/94/465929294.db2.gz FDGBHILSFHWNSC-UHFFFAOYSA-N 1 0 342.355 2.005 20 5 EEBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548747973 468466451 /nfs/dbraw/zinc/46/64/51/468466451.db2.gz YSOBNCFKLMRFGS-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301775620 466028349 /nfs/dbraw/zinc/02/83/49/466028349.db2.gz HHOZKZTYJRCWNE-GFCCVEGCSA-N 1 0 340.374 2.089 20 5 EEBDRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331404677 466067536 /nfs/dbraw/zinc/06/75/36/466067536.db2.gz DZZSXKJMFBLOKF-HOTGVXAUSA-N 1 0 346.435 2.458 20 5 EEBDRO O=C(CCN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000331524002 466122782 /nfs/dbraw/zinc/12/27/82/466122782.db2.gz CUHBLQXRLBLJMP-QGZVFWFLSA-N 1 0 346.431 2.484 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346885285 466223441 /nfs/dbraw/zinc/22/34/41/466223441.db2.gz YMUOLMZGYXXPLI-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000354007558 466322729 /nfs/dbraw/zinc/32/27/29/466322729.db2.gz QNJOOFWYIYIYMI-CYBMUJFWSA-N 1 0 330.388 2.102 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000332019781 466348102 /nfs/dbraw/zinc/34/81/02/466348102.db2.gz FYLMSSCLXVOJCC-YPMHNXCESA-N 1 0 330.388 2.218 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000361887591 466380934 /nfs/dbraw/zinc/38/09/34/466380934.db2.gz FQKVPRIAPITZAK-HUUCEWRRSA-N 1 0 348.447 2.362 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332107979 466392566 /nfs/dbraw/zinc/39/25/66/466392566.db2.gz FIOADDGUEPOQMB-HUUCEWRRSA-N 1 0 346.431 2.116 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)Cc1ccccc1 ZINC000350276566 466447230 /nfs/dbraw/zinc/44/72/30/466447230.db2.gz CPFAPGPFFNLKGQ-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363798826 466621775 /nfs/dbraw/zinc/62/17/75/466621775.db2.gz DJORWKOXYOYAGA-KBPBESRZSA-N 1 0 348.403 2.196 20 5 EEBDRO Cn1cc(C[NH+]2CC([C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368443148 466636874 /nfs/dbraw/zinc/63/68/74/466636874.db2.gz SCAXWTSDWGBWHJ-AWEZNQCLSA-N 1 0 342.399 2.464 20 5 EEBDRO Cc1cc(NC(=O)N2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000415412715 466669290 /nfs/dbraw/zinc/66/92/90/466669290.db2.gz CLWANMUCMIEFGS-UHFFFAOYSA-N 1 0 336.392 2.265 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000364162701 466686350 /nfs/dbraw/zinc/68/63/50/466686350.db2.gz UOGLEQGBRZXRKY-CQSZACIVSA-N 1 0 346.431 2.457 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348740 466725388 /nfs/dbraw/zinc/72/53/88/466725388.db2.gz UPAILUASNYGAGL-WMZOPIPTSA-N 1 0 343.431 2.397 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423652741 466796761 /nfs/dbraw/zinc/79/67/61/466796761.db2.gz XXUFVHGEURSFLZ-QGZVFWFLSA-N 1 0 333.388 2.128 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365405057 466808269 /nfs/dbraw/zinc/80/82/69/466808269.db2.gz KGNFZFHFCYGFTI-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000411672107 466872107 /nfs/dbraw/zinc/87/21/07/466872107.db2.gz MWPQLTHEMXHLIP-LBPRGKRZSA-N 1 0 337.376 2.197 20 5 EEBDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411726124 466887596 /nfs/dbraw/zinc/88/75/96/466887596.db2.gz XMMWKMCWUUMFOL-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000412098558 467007065 /nfs/dbraw/zinc/00/70/65/467007065.db2.gz XWNIAPDAFVWHNC-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412169526 467030200 /nfs/dbraw/zinc/03/02/00/467030200.db2.gz YGWUHEHDAYZJBA-UHFFFAOYSA-N 1 0 341.383 2.133 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CC2)cc1 ZINC000419353551 467192419 /nfs/dbraw/zinc/19/24/19/467192419.db2.gz LJSIDRLHHHCSEC-YVEFUNNKSA-N 1 0 330.388 2.380 20 5 EEBDRO C[C@@H]1CN(CCN(C)c2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000432941017 467277191 /nfs/dbraw/zinc/27/71/91/467277191.db2.gz ZCZDZWQVYFSNLW-BETUJISGSA-N 1 0 345.403 2.083 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397481 467291002 /nfs/dbraw/zinc/29/10/02/467291002.db2.gz OZFOBBJYVPALAY-KGLIPLIRSA-N 1 0 347.415 2.332 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420318813 467354029 /nfs/dbraw/zinc/35/40/29/467354029.db2.gz OZJPXTQDBZVGGY-AWEZNQCLSA-N 1 0 328.800 2.150 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420376101 467384478 /nfs/dbraw/zinc/38/44/78/467384478.db2.gz JOMJZJWJSVXLAD-DOTOQJQBSA-N 1 0 337.395 2.452 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000420440291 467408399 /nfs/dbraw/zinc/40/83/99/467408399.db2.gz BVHPZUWVIXLLDK-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000430242863 467410995 /nfs/dbraw/zinc/41/09/95/467410995.db2.gz YPDIVALBIUUMHI-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555198 467439642 /nfs/dbraw/zinc/43/96/42/467439642.db2.gz OJAFMBPUNAGRIM-MELADBBJSA-N 1 0 334.420 2.289 20 5 EEBDRO C[NH2+]CCCN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000415139937 467498889 /nfs/dbraw/zinc/49/88/89/467498889.db2.gz XZLOYFQJKMBABX-UHFFFAOYSA-N 1 0 333.335 2.246 20 5 EEBDRO O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533350 467587938 /nfs/dbraw/zinc/58/79/38/467587938.db2.gz QYGBKRSKPHTIPQ-CABCVRRESA-N 1 0 349.435 2.267 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454718817 467611613 /nfs/dbraw/zinc/61/16/13/467611613.db2.gz IPNDEZVRNNEEOG-HNNXBMFYSA-N 1 0 349.435 2.272 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449196272 467623026 /nfs/dbraw/zinc/62/30/26/467623026.db2.gz XCTHFPLMTYKVAX-SFHVURJKSA-N 1 0 325.368 2.142 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449597344 467668114 /nfs/dbraw/zinc/66/81/14/467668114.db2.gz DRRYBJNDEOYZTE-OCCSQVGLSA-N 1 0 334.420 2.298 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449597343 467668252 /nfs/dbraw/zinc/66/82/52/467668252.db2.gz DRRYBJNDEOYZTE-JSGCOSHPSA-N 1 0 334.420 2.298 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000449725687 467701159 /nfs/dbraw/zinc/70/11/59/467701159.db2.gz VOEQOSTZODOYMN-LLVKDONJSA-N 1 0 331.250 2.351 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000457095802 467751701 /nfs/dbraw/zinc/75/17/01/467751701.db2.gz QIEUGFLJRZRVSK-LLVKDONJSA-N 1 0 339.367 2.297 20 5 EEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493346070 467890580 /nfs/dbraw/zinc/89/05/80/467890580.db2.gz AWTGMRSHWCMQJI-HABDOHHLSA-N 1 0 329.400 2.456 20 5 EEBDRO C[NH+](C)CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450709218 467895843 /nfs/dbraw/zinc/89/58/43/467895843.db2.gz BMAGUNIRMUHVNN-UHFFFAOYSA-N 1 0 333.388 2.110 20 5 EEBDRO C[NH+](C)C/C=C/C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000493783229 467982617 /nfs/dbraw/zinc/98/26/17/467982617.db2.gz HHBAKJQYGDOSBS-ONEGZZNKSA-N 1 0 328.166 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487946758 468061689 /nfs/dbraw/zinc/06/16/89/468061689.db2.gz CDMIETIPZUHHSN-MRXNPFEDSA-N 1 0 334.420 2.114 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532228574 468104415 /nfs/dbraw/zinc/10/44/15/468104415.db2.gz BLGDRNGCFUQIGX-CYBMUJFWSA-N 1 0 335.404 2.191 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594235246 468524084 /nfs/dbraw/zinc/52/40/84/468524084.db2.gz UNTPPHXROYKWIV-IRXDYDNUSA-N 1 0 346.431 2.453 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594388937 468569208 /nfs/dbraw/zinc/56/92/08/468569208.db2.gz DAFJPOZNPRGEJF-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1cccc(OCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582720612 468583868 /nfs/dbraw/zinc/58/38/68/468583868.db2.gz ZHFXLWXXERBADA-INIZCTEOSA-N 1 0 346.383 2.312 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594434034 468584874 /nfs/dbraw/zinc/58/48/74/468584874.db2.gz JNYZVHBFNCKWFA-AEFFLSMTSA-N 1 0 331.416 2.423 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594817557 468695533 /nfs/dbraw/zinc/69/55/33/468695533.db2.gz SUCOXPXNSFHDHM-SECBINFHSA-N 1 0 349.840 2.175 20 5 EEBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000592435376 468697909 /nfs/dbraw/zinc/69/79/09/468697909.db2.gz VPJKDAOOIAJJAU-MRXNPFEDSA-N 1 0 335.404 2.055 20 5 EEBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592487889 468710017 /nfs/dbraw/zinc/71/00/17/468710017.db2.gz ANCJCRWGZGTLFG-MGPQQGTHSA-N 1 0 334.420 2.289 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000583626056 468730609 /nfs/dbraw/zinc/73/06/09/468730609.db2.gz CRAQQGHBXVCKBP-INIZCTEOSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000597990908 468733104 /nfs/dbraw/zinc/73/31/04/468733104.db2.gz APYJZGNTCGXIMV-NSHDSACASA-N 1 0 325.384 2.468 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000583763405 468752810 /nfs/dbraw/zinc/75/28/10/468752810.db2.gz YCGNAZQKWNXDCN-GASCZTMLSA-N 1 0 328.372 2.322 20 5 EEBDRO C[C@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000583784027 468753936 /nfs/dbraw/zinc/75/39/36/468753936.db2.gz JMKGZEYSJBRPJD-AWEZNQCLSA-N 1 0 343.383 2.416 20 5 EEBDRO COc1ccc(CC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598262495 468810330 /nfs/dbraw/zinc/81/03/30/468810330.db2.gz LKDGRTYSPSDQPV-CQSZACIVSA-N 1 0 349.431 2.383 20 5 EEBDRO CNc1c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598265423 468811632 /nfs/dbraw/zinc/81/16/32/468811632.db2.gz SVOZYIZZVPKQJM-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182734 468816275 /nfs/dbraw/zinc/81/62/75/468816275.db2.gz JMIPZOCSYLXFLR-NVXWUHKLSA-N 1 0 347.415 2.055 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595370919 468828759 /nfs/dbraw/zinc/82/87/59/468828759.db2.gz LYVOFKNYPCWNOZ-BZUAXINKSA-N 1 0 347.463 2.454 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000595490302 468873942 /nfs/dbraw/zinc/87/39/42/468873942.db2.gz PGTBQVALGKGPGC-CWRNSKLLSA-N 1 0 335.379 2.471 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000601440856 468874422 /nfs/dbraw/zinc/87/44/22/468874422.db2.gz ZLMMVLAIHKRKAF-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[NH+]1CCCCC1 ZINC000593111047 468874848 /nfs/dbraw/zinc/87/48/48/468874848.db2.gz BUSKYQHDPHKDKU-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000561224860 468878564 /nfs/dbraw/zinc/87/85/64/468878564.db2.gz GAOKQSBWEIGOOZ-IAGOWNOFSA-N 1 0 330.388 2.202 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000595511982 468883477 /nfs/dbraw/zinc/88/34/77/468883477.db2.gz NUFASZJDMQKFNG-UHFFFAOYSA-N 1 0 339.411 2.306 20 5 EEBDRO Cc1cc(OCC(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593189633 468899988 /nfs/dbraw/zinc/89/99/88/468899988.db2.gz WIDGPJAWPMUYFS-RDBSUJKOSA-N 1 0 335.404 2.222 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598571179 468918385 /nfs/dbraw/zinc/91/83/85/468918385.db2.gz BUAHJJPMIGVYAM-HNNXBMFYSA-N 1 0 332.404 2.239 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000598591552 468924872 /nfs/dbraw/zinc/92/48/72/468924872.db2.gz CIVVDZWJHJPQJI-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598682855 468957690 /nfs/dbraw/zinc/95/76/90/468957690.db2.gz PHLXXZDTXBPIHX-DYVFJYSZSA-N 1 0 332.404 2.045 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC3CCC3)CC2)cn1 ZINC000602637108 468980883 /nfs/dbraw/zinc/98/08/83/468980883.db2.gz CMKUDNAKEWDLDW-OAHLLOKOSA-N 1 0 334.420 2.099 20 5 EEBDRO CCN1C[C@H](C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)Oc2ccccc21 ZINC000610484840 468981416 /nfs/dbraw/zinc/98/14/16/468981416.db2.gz OOUMUVMBPGNAKI-AWEZNQCLSA-N 1 0 345.403 2.011 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000595827497 469030544 /nfs/dbraw/zinc/03/05/44/469030544.db2.gz CRLOUMATIVQSKD-HNNXBMFYSA-N 1 0 347.415 2.438 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595870537 469053904 /nfs/dbraw/zinc/05/39/04/469053904.db2.gz HGRVSTAIJXFOIZ-YVEFUNNKSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000602802902 469085818 /nfs/dbraw/zinc/08/58/18/469085818.db2.gz XIAULHGZNCVGIS-QGZVFWFLSA-N 1 0 344.415 2.373 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000602814280 469092173 /nfs/dbraw/zinc/09/21/73/469092173.db2.gz ZCKCROBBOZSFQO-KRWDZBQOSA-N 1 0 328.372 2.231 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC000599083651 469111793 /nfs/dbraw/zinc/11/17/93/469111793.db2.gz VALUZPYBFMUFDK-YRGRVCCFSA-N 1 0 326.418 2.205 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973360 469122059 /nfs/dbraw/zinc/12/20/59/469122059.db2.gz LOJNOTQBJJSDAR-MXWKQRLJSA-N 1 0 339.779 2.153 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593764112 469130295 /nfs/dbraw/zinc/13/02/95/469130295.db2.gz WAHOFCBTVUSHLE-ZENOOKHLSA-N 1 0 348.403 2.345 20 5 EEBDRO CCC(CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000596070933 469140265 /nfs/dbraw/zinc/14/02/65/469140265.db2.gz VIBKRHJCSQLBJG-AWEZNQCLSA-N 1 0 338.408 2.244 20 5 EEBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000602882621 469140279 /nfs/dbraw/zinc/14/02/79/469140279.db2.gz LPPMZZLUPGVKCR-OAHLLOKOSA-N 1 0 334.376 2.086 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000589113795 469197098 /nfs/dbraw/zinc/19/70/98/469197098.db2.gz SRBIEHGEDSKSIV-VXGBXAGGSA-N 1 0 342.827 2.366 20 5 EEBDRO CN(CCc1nccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611275993 469217277 /nfs/dbraw/zinc/21/72/77/469217277.db2.gz LGZFRMQYWXJKSY-UHFFFAOYSA-N 1 0 335.385 2.497 20 5 EEBDRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611409101 469243050 /nfs/dbraw/zinc/24/30/50/469243050.db2.gz NPNPBJVMGAZPPP-HZMBPMFUSA-N 1 0 335.360 2.290 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571734 469303870 /nfs/dbraw/zinc/30/38/70/469303870.db2.gz ZHHIICCYUXAPEC-ZDUSSCGKSA-N 1 0 348.403 2.310 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000599628930 469315671 /nfs/dbraw/zinc/31/56/71/469315671.db2.gz JENOKBPLIAJDGI-WBVHZDCISA-N 1 0 329.356 2.358 20 5 EEBDRO CC1(C)C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000596655879 469323346 /nfs/dbraw/zinc/32/33/46/469323346.db2.gz ZBGQPWFEUCWXPU-CQSZACIVSA-N 1 0 343.387 2.061 20 5 EEBDRO Cn1ccnc1[C@H](C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602474716 469332248 /nfs/dbraw/zinc/33/22/48/469332248.db2.gz RKUKETNFEAUIIF-CJNGLKHVSA-N 1 0 342.403 2.361 20 5 EEBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000602519596 469347703 /nfs/dbraw/zinc/34/77/03/469347703.db2.gz ATHBQBNQROLPEL-UHFFFAOYSA-N 1 0 346.383 2.307 20 5 EEBDRO CC(C)(C)C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602574738 469367031 /nfs/dbraw/zinc/36/70/31/469367031.db2.gz MNYZMHNCHHKJHE-CQSZACIVSA-N 1 0 336.436 2.345 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CSCC[NH2+]1 ZINC000603419885 469389072 /nfs/dbraw/zinc/38/90/72/469389072.db2.gz QOGRROYOLLQERK-SECBINFHSA-N 1 0 332.223 2.474 20 5 EEBDRO C[N@H+](CCOC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612092307 469390874 /nfs/dbraw/zinc/39/08/74/469390874.db2.gz INGOSYBUHGLPLC-ZDUSSCGKSA-N 1 0 326.393 2.081 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC3CC3)C2)n1 ZINC000618567968 469391992 /nfs/dbraw/zinc/39/19/92/469391992.db2.gz ARAIZDRZJMVHNF-BZUAXINKSA-N 1 0 333.436 2.349 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444463 469468438 /nfs/dbraw/zinc/46/84/38/469468438.db2.gz YLNGJLDYPQMWJJ-LBPRGKRZSA-N 1 0 331.376 2.061 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000618963778 469482083 /nfs/dbraw/zinc/48/20/83/469482083.db2.gz ZPGWIVKNKSJYJA-UHFFFAOYSA-N 1 0 341.408 2.427 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609385627 469924775 /nfs/dbraw/zinc/92/47/75/469924775.db2.gz CXAYFTIVDCCFKD-AWEZNQCLSA-N 1 0 334.420 2.304 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609396862 469925513 /nfs/dbraw/zinc/92/55/13/469925513.db2.gz KMTNJWLFOCPLDM-LBPRGKRZSA-N 1 0 334.376 2.209 20 5 EEBDRO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610022187 469975016 /nfs/dbraw/zinc/97/50/16/469975016.db2.gz DJLNXCANDTYGAH-CYBMUJFWSA-N 1 0 349.435 2.036 20 5 EEBDRO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610028164 469975666 /nfs/dbraw/zinc/97/56/66/469975666.db2.gz XXYUKGXWLSLEHU-ZDUSSCGKSA-N 1 0 334.420 2.467 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000159133144 534663038 /nfs/dbraw/zinc/66/30/38/534663038.db2.gz DZMLUMIFPGTIKP-MRXNPFEDSA-N 1 0 335.407 2.008 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181931540 527856457 /nfs/dbraw/zinc/85/64/57/527856457.db2.gz QRQTWBDOWBYIEV-XJKSGUPXSA-N 1 0 340.445 2.408 20 5 EEBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000191069248 528098222 /nfs/dbraw/zinc/09/82/22/528098222.db2.gz RMQHRYRAIULCMJ-CABCVRRESA-N 1 0 337.420 2.330 20 5 EEBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189891651 528165518 /nfs/dbraw/zinc/16/55/18/528165518.db2.gz HCCBUDNIBRRINH-UHFFFAOYSA-N 1 0 332.447 2.432 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000181506043 528503894 /nfs/dbraw/zinc/50/38/94/528503894.db2.gz IFHSHLYRTJZNCW-UHFFFAOYSA-N 1 0 343.330 2.410 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245466438 535681203 /nfs/dbraw/zinc/68/12/03/535681203.db2.gz YYYRLHYGGRMCQP-IRXDYDNUSA-N 1 0 346.431 2.116 20 5 EEBDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000120308599 535889995 /nfs/dbraw/zinc/88/99/95/535889995.db2.gz AOEOCTHZXIWXRE-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452167604 536950735 /nfs/dbraw/zinc/95/07/35/536950735.db2.gz BJNHFRPGAPOWJI-GFCCVEGCSA-N 1 0 333.388 2.160 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000732568523 577184696 /nfs/dbraw/zinc/18/46/96/577184696.db2.gz YPRDMYPCRYBUGI-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(=O)c1ccc(N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000732667336 577187508 /nfs/dbraw/zinc/18/75/08/577187508.db2.gz NDVHCFLVMVEKPK-UHFFFAOYSA-N 1 0 335.404 2.344 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733167511 577206240 /nfs/dbraw/zinc/20/62/40/577206240.db2.gz OHBMARAZDUFBMS-MRXNPFEDSA-N 1 0 345.403 2.097 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000766831177 577525544 /nfs/dbraw/zinc/52/55/44/577525544.db2.gz FQGVDYLQMSVRDK-UHFFFAOYSA-N 1 0 349.435 2.103 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000750057933 577986463 /nfs/dbraw/zinc/98/64/63/577986463.db2.gz ZBRBRROBKKYCSI-UHFFFAOYSA-N 1 0 327.812 2.138 20 5 EEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736254014 578191089 /nfs/dbraw/zinc/19/10/89/578191089.db2.gz XLDJDXWBRZENPY-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737418567 578256463 /nfs/dbraw/zinc/25/64/63/578256463.db2.gz VSRNOPZWNNVMIA-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821581854 606474677 /nfs/dbraw/zinc/47/46/77/606474677.db2.gz WFHDHMJNLGTKBL-WDEREUQCSA-N 1 0 331.380 2.060 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@H+](C)C(C)C ZINC000175718641 674669787 /nfs/dbraw/zinc/66/97/87/674669787.db2.gz VFGSNMYFEZVXRP-UHFFFAOYSA-N 1 0 340.336 2.042 20 5 EEBDRO CCc1nocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020555932 675111813 /nfs/dbraw/zinc/11/18/13/675111813.db2.gz VQPBPHSRXJUOII-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)nc1 ZINC001021898345 676540138 /nfs/dbraw/zinc/54/01/38/676540138.db2.gz XLAAARIKCOFLOA-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO CC(C)C[NH+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891502689 676677818 /nfs/dbraw/zinc/67/78/18/676677818.db2.gz LMCULKLEENMOJE-UHFFFAOYSA-N 1 0 344.415 2.225 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3CCC3)c2)CC1 ZINC000934039972 677766098 /nfs/dbraw/zinc/76/60/98/677766098.db2.gz GBCSNMLJEOXVFY-UHFFFAOYSA-N 1 0 333.392 2.021 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ncccc1F ZINC001022887778 678725034 /nfs/dbraw/zinc/72/50/34/678725034.db2.gz JMYQXPFAEGQXFQ-BETUJISGSA-N 1 0 344.346 2.180 20 5 EEBDRO CC[N@H+](CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000892663150 682137134 /nfs/dbraw/zinc/13/71/34/682137134.db2.gz SXUBOCAMGDHTPX-ZDUSSCGKSA-N 1 0 334.420 2.482 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1SC ZINC000261772398 682137530 /nfs/dbraw/zinc/13/75/30/682137530.db2.gz FUFFWXYQDHEJHZ-HNNXBMFYSA-N 1 0 339.417 2.136 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000894954488 683433154 /nfs/dbraw/zinc/43/31/54/683433154.db2.gz LTPQSCNMASYMGO-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCO[C@@H]3CCOC3)CC2)cc1 ZINC000119193567 683538381 /nfs/dbraw/zinc/53/83/81/683538381.db2.gz RYHBTPQTPYGFLC-GOSISDBHSA-N 1 0 349.431 2.349 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000893050841 683642592 /nfs/dbraw/zinc/64/25/92/683642592.db2.gz RTTPALAFHPOXGR-OAHLLOKOSA-N 1 0 349.431 2.394 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001029305269 683941798 /nfs/dbraw/zinc/94/17/98/683941798.db2.gz WOJQAPXTHRYVMD-YYIAUSFCSA-N 1 0 333.432 2.217 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnco1 ZINC001034701893 1196586864 /nfs/dbraw/zinc/58/68/64/1196586864.db2.gz GUVIKLNQJOQHNT-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)c1ccc(C)cc1 ZINC000871875793 1197947908 /nfs/dbraw/zinc/94/79/08/1197947908.db2.gz OUFBBOMIVZWXKE-INIZCTEOSA-N 1 0 345.403 2.131 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000872062215 1198037865 /nfs/dbraw/zinc/03/78/65/1198037865.db2.gz LCLUSRSLIJJIFY-IAQYHMDHSA-N 1 0 325.434 2.034 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC(O)CC1 ZINC000872077443 1198041831 /nfs/dbraw/zinc/04/18/31/1198041831.db2.gz IIMBHDPWERQDCX-LBPRGKRZSA-N 1 0 339.461 2.424 20 5 EEBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079888 1198494652 /nfs/dbraw/zinc/49/46/52/1198494652.db2.gz JINMNPCULHVJLC-MSOLQXFVSA-N 1 0 333.432 2.371 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000876767248 1199764790 /nfs/dbraw/zinc/76/47/90/1199764790.db2.gz FDWGOUIHRWYXMR-INIZCTEOSA-N 1 0 333.432 2.366 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]2C1 ZINC000812340287 1200670287 /nfs/dbraw/zinc/67/02/87/1200670287.db2.gz BYTSAINTKDDMHI-OLZOCXBDSA-N 1 0 340.383 2.167 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000812393982 1200691977 /nfs/dbraw/zinc/69/19/77/1200691977.db2.gz VJVQDALYXMRLIF-ZDUSSCGKSA-N 1 0 347.419 2.181 20 5 EEBDRO COC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040785 1201360783 /nfs/dbraw/zinc/36/07/83/1201360783.db2.gz KBXYEJGLMRAMHV-CJNGLKHVSA-N 1 0 336.388 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880209475 1201422564 /nfs/dbraw/zinc/42/25/64/1201422564.db2.gz UUOCSDXPXOIUPZ-INIZCTEOSA-N 1 0 349.431 2.207 20 5 EEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866336983 1201495436 /nfs/dbraw/zinc/49/54/36/1201495436.db2.gz HXUUDJZIMNLILL-SGIREYDYSA-N 1 0 326.368 2.449 20 5 EEBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866341254 1201496158 /nfs/dbraw/zinc/49/61/58/1201496158.db2.gz LIJHIUCJTZCNGZ-SMDDNHRTSA-N 1 0 339.367 2.485 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000882815531 1201949595 /nfs/dbraw/zinc/94/95/95/1201949595.db2.gz JUJYXNUPPWDJBH-UHFFFAOYSA-N 1 0 346.431 2.213 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000884351058 1202299433 /nfs/dbraw/zinc/29/94/33/1202299433.db2.gz IMDDGJMJKJXEOV-MSOLQXFVSA-N 1 0 349.434 2.397 20 5 EEBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000884825485 1202362909 /nfs/dbraw/zinc/36/29/09/1202362909.db2.gz ZJXPTJTTYISOHV-UHFFFAOYSA-N 1 0 334.351 2.132 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cn(CC4C[NH2+]C4)nn3)cs2)c1 ZINC000887407867 1204299048 /nfs/dbraw/zinc/29/90/48/1204299048.db2.gz VVDJMCGAAZGULB-UHFFFAOYSA-N 1 0 342.384 2.196 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110895742 1206003934 /nfs/dbraw/zinc/00/39/34/1206003934.db2.gz WXNNNJYGVJTXCE-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931046023 1206602564 /nfs/dbraw/zinc/60/25/64/1206602564.db2.gz RWIYMKSVNMGVMY-MFKMUULPSA-N 1 0 340.811 2.211 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778253034 1207981426 /nfs/dbraw/zinc/98/14/26/1207981426.db2.gz NSFKFRNKHCTEDL-SNVBAGLBSA-N 1 0 349.416 2.061 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778295887 1208081713 /nfs/dbraw/zinc/08/17/13/1208081713.db2.gz XKHZTXKUJGUGKB-NSHDSACASA-N 1 0 327.331 2.145 20 5 EEBDRO COCC[N@H+](CC(C)C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077433318 1209798621 /nfs/dbraw/zinc/79/86/21/1209798621.db2.gz RQKIMCQLQVYZPS-UHFFFAOYSA-N 1 0 333.392 2.415 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC=CCC1 ZINC000795252051 1212235974 /nfs/dbraw/zinc/23/59/74/1212235974.db2.gz LZDLGWBEISXRDB-UHFFFAOYSA-N 1 0 330.388 2.161 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795701394 1214983658 /nfs/dbraw/zinc/98/36/58/1214983658.db2.gz COUJYWDVRWXNBH-CZUORRHYSA-N 1 0 329.404 2.461 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795707695 1215000667 /nfs/dbraw/zinc/00/06/67/1215000667.db2.gz OPEQNOQVZUZXNQ-CJNGLKHVSA-N 1 0 329.404 2.461 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000796531884 1221117919 /nfs/dbraw/zinc/11/79/19/1221117919.db2.gz MOSHWXJRSSIOPN-IRXDYDNUSA-N 1 0 343.383 2.177 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900191947 1234078365 /nfs/dbraw/zinc/07/83/65/1234078365.db2.gz KLCXLDDJGAMNKQ-UHFFFAOYSA-N 1 0 347.774 2.085 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000802136954 1236977110 /nfs/dbraw/zinc/97/71/10/1236977110.db2.gz LJNHBZKQDHOUIV-ZDUSSCGKSA-N 1 0 347.371 2.342 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265433 1240137290 /nfs/dbraw/zinc/13/72/90/1240137290.db2.gz ZVOPMYOXKMHAIT-CXMBCZLWSA-N 1 0 333.388 2.469 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903337999 1240267239 /nfs/dbraw/zinc/26/72/39/1240267239.db2.gz APDUBCWQPMSEFH-XJKSGUPXSA-N 1 0 339.411 2.365 20 5 EEBDRO O=C(NCC1CC[NH+](CCCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401003 1242197648 /nfs/dbraw/zinc/19/76/48/1242197648.db2.gz WZYKCNQWJQRFIS-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO O=C(NCC1CC[NH+](CCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400519 1242197839 /nfs/dbraw/zinc/19/78/39/1242197839.db2.gz SZWMXBCRMRYLQQ-QZTJIDSGSA-N 1 0 345.443 2.113 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101386669 1245749839 /nfs/dbraw/zinc/74/98/39/1245749839.db2.gz VCJDAGUTIQSCSH-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000867274934 1285199257 /nfs/dbraw/zinc/19/92/57/1285199257.db2.gz NQHZXDBPRLCNDJ-UHFFFAOYSA-N 1 0 334.781 2.051 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001199847987 1285855950 /nfs/dbraw/zinc/85/59/50/1285855950.db2.gz RMEZXYPYXRDIHQ-VMPITWQZSA-N 1 0 349.435 2.011 20 5 EEBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218001482 1297545819 /nfs/dbraw/zinc/54/58/19/1297545819.db2.gz WSOJMKSADMVXHB-JOYOIKCWSA-N 1 0 327.312 2.489 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000853502865 1292404815 /nfs/dbraw/zinc/40/48/15/1292404815.db2.gz AGUUQGJCFVPAKI-ZIAGYGMSSA-N 1 0 343.387 2.169 20 5 EEBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000856796666 1293635615 /nfs/dbraw/zinc/63/56/15/1293635615.db2.gz XYGRATMAZSWZBN-NWDGAFQWSA-N 1 0 339.367 2.013 20 5 EEBDRO O=c1c2cc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)c(O)cc2oc2cccc(O)c12 ZINC001218443326 1297665864 /nfs/dbraw/zinc/66/58/64/1297665864.db2.gz ZWRPCKMOTWSDNP-UYKLKCEZSA-N 1 0 339.347 2.487 20 5 EEBDRO Nc1ccc2n(C(=O)[C@H]3CC[NH2+]C[C@H]3F)c3ccccc3cc-2c1=O ZINC001219256719 1297965857 /nfs/dbraw/zinc/96/58/57/1297965857.db2.gz XKHDDQROWIGFSC-GXTWGEPZSA-N 1 0 339.370 2.276 20 5 EEBDRO COCCCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222481937 1299623248 /nfs/dbraw/zinc/62/32/48/1299623248.db2.gz KNIYZLGWZHSIDR-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO CC(C)N(CCCNC(=O)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001102137225 1300395229 /nfs/dbraw/zinc/39/52/29/1300395229.db2.gz VSRQOEWIXVESKM-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO C[NH+](C)CC[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccccc1 ZINC001224134283 1300436985 /nfs/dbraw/zinc/43/69/85/1300436985.db2.gz PPMLQLZXFWRATO-LSDHHAIUSA-N 1 0 346.387 2.262 20 5 EEBDRO CC[NH+](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102196700 1300546175 /nfs/dbraw/zinc/54/61/75/1300546175.db2.gz VKGCDHGLOSUIBL-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2OCCC[N+](C)(C)C ZINC001224619662 1300672091 /nfs/dbraw/zinc/67/20/91/1300672091.db2.gz PZUCSUKCHLNGPM-CRAIPNDOSA-N 1 0 343.488 2.268 20 5 EEBDRO CCOC(=O)c1cc(OC)c(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228135115 1302119356 /nfs/dbraw/zinc/11/93/56/1302119356.db2.gz XFYSCSJGGUWMGZ-LBPRGKRZSA-N 1 0 326.413 2.354 20 5 EEBDRO Cc1[nH]c(=O)cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001228686691 1302380779 /nfs/dbraw/zinc/38/07/79/1302380779.db2.gz QNQKHGUGIVXWTQ-LBPRGKRZSA-N 1 0 337.376 2.026 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c1cnn2Cc1ccccc1 ZINC001228697838 1302389535 /nfs/dbraw/zinc/38/95/35/1302389535.db2.gz YXZNYAGTXJMIPV-CQSZACIVSA-N 1 0 326.424 2.348 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1n[nH]c(=O)c3ccc([N+](=O)[O-])cc31)C2 ZINC001229360392 1302746333 /nfs/dbraw/zinc/74/63/33/1302746333.db2.gz KGZXJRTZSGKUQA-PEGIJTEDSA-N 1 0 330.344 2.248 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CCC1 ZINC001111811240 1303924916 /nfs/dbraw/zinc/92/49/16/1303924916.db2.gz PBNCIQUSXTVSBM-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CSCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233671046 1304553640 /nfs/dbraw/zinc/55/36/40/1304553640.db2.gz KGMFJNPYIPMPEB-UHFFFAOYSA-N 1 0 325.434 2.286 20 5 EEBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001119398235 1309066118 /nfs/dbraw/zinc/06/61/18/1309066118.db2.gz ANOOEMURACWOQJ-UHFFFAOYSA-N 1 0 333.363 2.497 20 5 EEBDRO CC(C)[C@@H]1CNCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246696829 1310382549 /nfs/dbraw/zinc/38/25/49/1310382549.db2.gz PWZDNDVQMSQXFD-SFHVURJKSA-N 1 0 332.448 2.493 20 5 EEBDRO CC[NH+]1CCC(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001248137598 1310845735 /nfs/dbraw/zinc/84/57/35/1310845735.db2.gz RUNFQXQSHHJQCB-UHFFFAOYSA-N 1 0 335.339 2.453 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc2[nH]ccc21 ZINC001160741441 1320254929 /nfs/dbraw/zinc/25/49/29/1320254929.db2.gz RFRJKTJSTSSXBN-IUCAKERBSA-N 1 0 329.282 2.423 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000841453562 1315557172 /nfs/dbraw/zinc/55/71/72/1315557172.db2.gz RNKHSSVMDOZHNB-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000841855256 1315624656 /nfs/dbraw/zinc/62/46/56/1315624656.db2.gz IZMBATRFIIDGIU-QWRGUYRKSA-N 1 0 340.811 2.436 20 5 EEBDRO COc1ccc([C@H]2[C@@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000842305750 1315685555 /nfs/dbraw/zinc/68/55/55/1315685555.db2.gz BMRHXCXLOUGUGF-DZUCGIPZSA-N 1 0 348.399 2.287 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475798 1315713003 /nfs/dbraw/zinc/71/30/03/1315713003.db2.gz CMPAHUIEYBJGBP-UVWXRNBGSA-N 1 0 338.383 2.039 20 5 EEBDRO COc1cc(OCc2nc([C@H]3CCC[NH2+]C3)no2)ccc1[N+](=O)[O-] ZINC000842667172 1315750215 /nfs/dbraw/zinc/75/02/15/1315750215.db2.gz HSHTZJRHQUEYEN-JTQLQIEISA-N 1 0 334.332 2.032 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000842832253 1315781560 /nfs/dbraw/zinc/78/15/60/1315781560.db2.gz BXACOPOTEBQZFB-ZDUSSCGKSA-N 1 0 338.408 2.190 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000843062197 1315832567 /nfs/dbraw/zinc/83/25/67/1315832567.db2.gz NHQLIKQQGHYMBM-XCRHUMRWSA-N 1 0 346.383 2.046 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000843094762 1315840419 /nfs/dbraw/zinc/84/04/19/1315840419.db2.gz LRHGMJHMDWUJIV-RHSMWYFYSA-N 1 0 334.347 2.133 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc(F)c1 ZINC000843104885 1315842914 /nfs/dbraw/zinc/84/29/14/1315842914.db2.gz RBABCXJIZFQYPT-JECHBYEQSA-N 1 0 334.347 2.479 20 5 EEBDRO [NH3+]CCc1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000843130737 1315850324 /nfs/dbraw/zinc/85/03/24/1315850324.db2.gz RUSQOMILSYDTCS-UHFFFAOYSA-N 1 0 345.281 2.152 20 5 EEBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000843154176 1315857043 /nfs/dbraw/zinc/85/70/43/1315857043.db2.gz NWVKTLFZQYXTHF-AWEZNQCLSA-N 1 0 347.375 2.137 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843482211 1315921091 /nfs/dbraw/zinc/92/10/91/1315921091.db2.gz KNKYYEWYFGJILS-RNCFNFMXSA-N 1 0 341.770 2.140 20 5 EEBDRO Cc1ccccc1OCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149703790 1316020204 /nfs/dbraw/zinc/02/02/04/1316020204.db2.gz YVOMTFOUIRLTQW-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO COC(=O)[C@@H](Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)[NH3+] ZINC001155368706 1317567017 /nfs/dbraw/zinc/56/70/17/1317567017.db2.gz KXULYBSPOYFLHN-CQSZACIVSA-N 1 0 332.360 2.142 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155619000 1317676621 /nfs/dbraw/zinc/67/66/21/1317676621.db2.gz NNKHTDQWJJVYIJ-KRTXAFLBSA-N 1 0 348.190 2.015 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155870438 1317771249 /nfs/dbraw/zinc/77/12/49/1317771249.db2.gz WHYFNKUUCWNHQJ-UHFFFAOYSA-N 1 0 341.158 2.197 20 5 EEBDRO Cc1ccncc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156093626 1317873306 /nfs/dbraw/zinc/87/33/06/1317873306.db2.gz CLRBRBAOISCSFL-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO COc1ccc(CCCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001156169151 1317904935 /nfs/dbraw/zinc/90/49/35/1317904935.db2.gz POYNQAVKSLGBPV-UHFFFAOYSA-N 1 0 343.387 2.125 20 5 EEBDRO Cc1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254464780 1318079867 /nfs/dbraw/zinc/07/98/67/1318079867.db2.gz KDRQEFYVEWLXQD-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1N1CCOCC1 ZINC001254548233 1318118920 /nfs/dbraw/zinc/11/89/20/1318118920.db2.gz LRMGJBKIEADDEO-UWWQBHOKSA-N 1 0 333.432 2.369 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001254571652 1318126093 /nfs/dbraw/zinc/12/60/93/1318126093.db2.gz ZWVJKVYFSJCMMA-HIFRSBDPSA-N 1 0 328.372 2.469 20 5 EEBDRO CCN1CC[C@]2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254598944 1318139064 /nfs/dbraw/zinc/13/90/64/1318139064.db2.gz ZMJKVONPZPXELK-HKUYNNGSSA-N 1 0 343.427 2.396 20 5 EEBDRO COCCCC[NH+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610248 1318143219 /nfs/dbraw/zinc/14/32/19/1318143219.db2.gz IRKRSCOBPHTESK-SFHVURJKSA-N 1 0 333.432 2.106 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001157020530 1318351275 /nfs/dbraw/zinc/35/12/75/1318351275.db2.gz JEJREJRBIWKSPN-LBPRGKRZSA-N 1 0 336.392 2.085 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC4(COC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093795 1318645954 /nfs/dbraw/zinc/64/59/54/1318645954.db2.gz QZPOUFLUEHDRRZ-UHFFFAOYSA-N 1 0 347.415 2.295 20 5 EEBDRO [NH3+]C[C@]1(F)CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001157812907 1318880164 /nfs/dbraw/zinc/88/01/64/1318880164.db2.gz LKQLFTPEENKJSQ-CYBMUJFWSA-N 1 0 325.731 2.069 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3ccc(-c4ccccc4[N+](=O)[O-])nn3)cc2C1 ZINC001157985425 1318959897 /nfs/dbraw/zinc/95/98/97/1318959897.db2.gz RYXZKRPDHDQNJU-GFCCVEGCSA-N 1 0 336.355 2.054 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1Cc1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001257902870 1319101762 /nfs/dbraw/zinc/10/17/62/1319101762.db2.gz VTFKOGHMYYACFX-GFCCVEGCSA-N 1 0 348.407 2.366 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H](C2CCC2)C(F)(F)F)nc1C1C[NH2+]C1 ZINC001158406374 1319224173 /nfs/dbraw/zinc/22/41/73/1319224173.db2.gz DZHIYLKXODSOEJ-LLVKDONJSA-N 1 0 331.298 2.215 20 5 EEBDRO [NH3+]CCc1cn(-c2cnc3cc([N+](=O)[O-])ccc3n2)c2cccnc12 ZINC001158745483 1319415569 /nfs/dbraw/zinc/41/55/69/1319415569.db2.gz IYEBKDHMXCWVOE-UHFFFAOYSA-N 1 0 334.339 2.378 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001160338373 1320138577 /nfs/dbraw/zinc/13/85/77/1320138577.db2.gz ZFRPIKOADOGSQV-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001161463483 1320508480 /nfs/dbraw/zinc/50/84/80/1320508480.db2.gz DLSNCAHSECPGBQ-GFCCVEGCSA-N 1 0 339.827 2.190 20 5 EEBDRO CCc1cnccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161502009 1320520174 /nfs/dbraw/zinc/52/01/74/1320520174.db2.gz PTOOENVOCOCZHB-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CCCc1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161672571 1320582529 /nfs/dbraw/zinc/58/25/29/1320582529.db2.gz VOKSTWLQODHFOC-UHFFFAOYSA-N 1 0 345.403 2.180 20 5 EEBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162470047 1320866175 /nfs/dbraw/zinc/86/61/75/1320866175.db2.gz HHJCCUWPDIGYSQ-NWDGAFQWSA-N 1 0 341.433 2.046 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162795896 1320960203 /nfs/dbraw/zinc/96/02/03/1320960203.db2.gz BCMXRBHSKRAVCT-DSYKOEDSSA-N 1 0 349.700 2.243 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2CC[NH2+]C[C@@H]2F)cnc1Cl ZINC001162802854 1320962611 /nfs/dbraw/zinc/96/26/11/1320962611.db2.gz WPRBKJJNVIQGKL-CBAPKCEASA-N 1 0 338.717 2.230 20 5 EEBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc([N+](=O)[O-])c(C(N)=O)n2)c1 ZINC001162898347 1320984661 /nfs/dbraw/zinc/98/46/61/1320984661.db2.gz CIZLJYNKCIJNCB-SECBINFHSA-N 1 0 325.328 2.052 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H](C)CC[C@@H]3C[NH3+])c2cc1[N+](=O)[O-] ZINC001164069703 1321284504 /nfs/dbraw/zinc/28/45/04/1321284504.db2.gz KUQOMGRCQHAVIH-WDEREUQCSA-N 1 0 331.376 2.110 20 5 EEBDRO O=[N+]([O-])c1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc2[nH]ccc21 ZINC001164613571 1321435573 /nfs/dbraw/zinc/43/55/73/1321435573.db2.gz YRHNDDXGZRBVTK-CQSZACIVSA-N 1 0 337.383 2.492 20 5 EEBDRO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001165153021 1321466600 /nfs/dbraw/zinc/46/66/00/1321466600.db2.gz VGIIFQVZQMHMFW-GASCZTMLSA-N 1 0 339.399 2.358 20 5 EEBDRO C[N@H+](C1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1)[C@@H]1CCOC1 ZINC001165205169 1321471607 /nfs/dbraw/zinc/47/16/07/1321471607.db2.gz DHXCUPQFGYKBHX-GFCCVEGCSA-N 1 0 328.372 2.052 20 5 EEBDRO Nc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165266948 1321487559 /nfs/dbraw/zinc/48/75/59/1321487559.db2.gz WXYCYGRMRSDLPR-GFCCVEGCSA-N 1 0 345.325 2.083 20 5 EEBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001166947572 1321822744 /nfs/dbraw/zinc/82/27/44/1321822744.db2.gz MYJYSIMTCCQKIW-UHFFFAOYSA-N 1 0 347.293 2.321 20 5 EEBDRO Cc1ccnc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)c1[N+](=O)[O-] ZINC001167018988 1321840249 /nfs/dbraw/zinc/84/02/49/1321840249.db2.gz QSXCQYJLPPSNHT-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO COC(=O)c1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC001261183439 1322039379 /nfs/dbraw/zinc/03/93/79/1322039379.db2.gz QCJWGULMPJMUNB-UHFFFAOYSA-N 1 0 329.356 2.347 20 5 EEBDRO CCOCCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204759210 1322221567 /nfs/dbraw/zinc/22/15/67/1322221567.db2.gz WRZAVXJZFROQFE-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC001262557414 1322322823 /nfs/dbraw/zinc/32/28/23/1322322823.db2.gz ANEAPJGUVXJMNP-INIZCTEOSA-N 1 0 349.362 2.175 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001263134229 1322437097 /nfs/dbraw/zinc/43/70/97/1322437097.db2.gz OLNPDVKRIMGFCJ-ZDUSSCGKSA-N 1 0 337.445 2.345 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001307208860 1329871748 /nfs/dbraw/zinc/87/17/48/1329871748.db2.gz RYKDIINYJLMVNA-MFKMUULPSA-N 1 0 338.389 2.495 20 5 EEBDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603330568 1350688908 /nfs/dbraw/zinc/68/89/08/1350688908.db2.gz XYCNZRBAWSRQJA-UHFFFAOYSA-N 1 0 346.391 2.164 20 5 EEBDRO Cc1nn(CN2CC[NH+](C(C)(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC001319097116 1332649005 /nfs/dbraw/zinc/64/90/05/1332649005.db2.gz ZQNRPBZJXHTGTL-UHFFFAOYSA-N 1 0 332.408 2.022 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322149547 1333218212 /nfs/dbraw/zinc/21/82/12/1333218212.db2.gz YMNIDTUEZAAASH-HNNXBMFYSA-N 1 0 330.388 2.104 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001326595359 1334121932 /nfs/dbraw/zinc/12/19/32/1334121932.db2.gz HBVFSAYGLOXYLU-UHFFFAOYSA-N 1 0 341.367 2.179 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001327544808 1334312450 /nfs/dbraw/zinc/31/24/50/1334312450.db2.gz UEKXXVDVHCFIDD-GJZGRUSLSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC001327968269 1334371681 /nfs/dbraw/zinc/37/16/81/1334371681.db2.gz REOWYDSQLYWVST-JTQLQIEISA-N 1 0 343.225 2.318 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC001327968271 1334371561 /nfs/dbraw/zinc/37/15/61/1334371561.db2.gz REOWYDSQLYWVST-SNVBAGLBSA-N 1 0 343.225 2.318 20 5 EEBDRO Cc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001328917806 1334547731 /nfs/dbraw/zinc/54/77/31/1334547731.db2.gz AHGQOTGQDVYELB-BDJLRTHQSA-N 1 0 348.359 2.073 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333362034 1336019634 /nfs/dbraw/zinc/01/96/34/1336019634.db2.gz CIBKPHBGQGUJDN-SNVBAGLBSA-N 1 0 332.326 2.271 20 5 EEBDRO O=[N+]([O-])c1c(N2CCCN(c3cc[nH+]cc3)CC2)nc2ccccn21 ZINC001336826637 1336601091 /nfs/dbraw/zinc/60/10/91/1336601091.db2.gz VRYMZVWXIBSBOX-UHFFFAOYSA-N 1 0 338.371 2.354 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001337304890 1336680008 /nfs/dbraw/zinc/68/00/08/1336680008.db2.gz CHJYZYDYCUUMCS-INIZCTEOSA-N 1 0 348.447 2.323 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001339156991 1336968074 /nfs/dbraw/zinc/96/80/74/1336968074.db2.gz PEQPNBBHYZILJJ-UHFFFAOYSA-N 1 0 337.339 2.148 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001340692608 1337230115 /nfs/dbraw/zinc/23/01/15/1337230115.db2.gz SQDGCFZJFDPRSL-UHFFFAOYSA-N 1 0 343.305 2.439 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001341799153 1337299732 /nfs/dbraw/zinc/29/97/32/1337299732.db2.gz TXNOCNDVXKHAQT-TUAOUCFPSA-N 1 0 331.294 2.094 20 5 EEBDRO CN1CCC[C@H]1c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C ZINC001350516595 1337720031 /nfs/dbraw/zinc/72/00/31/1337720031.db2.gz CKKFCMJVNXSDSF-HNNXBMFYSA-N 1 0 342.403 2.053 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ccc(C)cc1[N+](=O)[O-] ZINC001100576602 1338522586 /nfs/dbraw/zinc/52/25/86/1338522586.db2.gz KUTYNYXIZVSFPO-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC001590260622 1349234179 /nfs/dbraw/zinc/23/41/79/1349234179.db2.gz QLFBESVWZYTUIT-NWDGAFQWSA-N 1 0 345.407 2.450 20 5 EEBDRO Cc1ncc([C@@H](C)[NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])s1 ZINC001592408935 1349628539 /nfs/dbraw/zinc/62/85/39/1349628539.db2.gz OYTNOXLLMLGLKH-MRVPVSSYSA-N 1 0 345.388 2.391 20 5 EEBDRO CC(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001603224016 1350665478 /nfs/dbraw/zinc/66/54/78/1350665478.db2.gz RJVSUADLELQGKR-OAHLLOKOSA-N 1 0 345.407 2.307 20 5 EEBDRO CS[C@H]1CCCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001605369656 1351145800 /nfs/dbraw/zinc/14/58/00/1351145800.db2.gz BHUWMJJLAFDPFA-NSHDSACASA-N 1 0 348.432 2.492 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569272 1368037533 /nfs/dbraw/zinc/03/75/33/1368037533.db2.gz MWCWFHYRZMOYAF-LLVKDONJSA-N 1 0 329.360 2.251 20 5 EEBDRO CC[N@H+](CCN1CCOCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920560 1368128076 /nfs/dbraw/zinc/12/80/76/1368128076.db2.gz KOFTTZVPZVHBNN-GOSISDBHSA-N 1 0 347.459 2.496 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000797422545 1371531408 /nfs/dbraw/zinc/53/14/08/1371531408.db2.gz PHACBTKDDQTKGS-LBPRGKRZSA-N 1 0 336.392 2.476 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000840090763 1372921923 /nfs/dbraw/zinc/92/19/23/1372921923.db2.gz GNEFUWXXYMAOCV-INIZCTEOSA-N 1 0 329.404 2.442 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001576484393 1403578860 /nfs/dbraw/zinc/57/88/60/1403578860.db2.gz VJJMOKYRZKKISF-YOEHRIQHSA-N 1 0 335.404 2.090 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001576606909 1403589848 /nfs/dbraw/zinc/58/98/48/1403589848.db2.gz AQQZXZDMSXYOFK-JGVFFNPUSA-N 1 0 330.291 2.150 20 5 EEBDRO Cc1cc(N2CC[NH+](C(C)(C)C)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605700197 1404750059 /nfs/dbraw/zinc/75/00/59/1404750059.db2.gz MPBDAFJLICHMJA-UHFFFAOYSA-N 1 0 345.407 2.004 20 5 EEBDRO [NH3+]CCc1ccn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n1 ZINC001167729621 765261367 /nfs/dbraw/zinc/26/13/67/765261367.db2.gz OGUUTROWYYWQMG-UHFFFAOYSA-N 1 0 339.355 2.256 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000069005668 775084890 /nfs/dbraw/zinc/08/48/90/775084890.db2.gz GECABSDALFENOG-UHFFFAOYSA-N 1 0 339.367 2.102 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000982279028 779504122 /nfs/dbraw/zinc/50/41/22/779504122.db2.gz YSTQQFZOABZSTR-RWQQGDIJSA-N 1 0 343.427 2.022 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091469765 790938958 /nfs/dbraw/zinc/93/89/58/790938958.db2.gz KLOBARKRTWBUKP-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000818559776 785292860 /nfs/dbraw/zinc/29/28/60/785292860.db2.gz NCHGVEJAZAWINA-UHFFFAOYSA-N 1 0 329.759 2.046 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCSC(F)(F)F)c1 ZINC000818960695 785328619 /nfs/dbraw/zinc/32/86/19/785328619.db2.gz GKINUDWBLGQDMN-SNVBAGLBSA-N 1 0 340.323 2.177 20 5 EEBDRO CC(C)CC(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818980207 785348878 /nfs/dbraw/zinc/34/88/78/785348878.db2.gz AHKHPPDVKVYFOO-KRWDZBQOSA-N 1 0 349.431 2.255 20 5 EEBDRO O=C(CC1CCCCC1)NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818992236 785356343 /nfs/dbraw/zinc/35/63/43/785356343.db2.gz OOLRYUSTSYRHEA-QGZVFWFLSA-N 1 0 349.431 2.304 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819164889 785441120 /nfs/dbraw/zinc/44/11/20/785441120.db2.gz XFESPWKTPMOUPG-NVXWUHKLSA-N 1 0 347.415 2.009 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000819176625 785448534 /nfs/dbraw/zinc/44/85/34/785448534.db2.gz LLKQTEMWSZHOHV-CYBMUJFWSA-N 1 0 345.186 2.421 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000819255886 785469666 /nfs/dbraw/zinc/46/96/66/785469666.db2.gz GHDMSDMSIBCRHO-RDJZCZTQSA-N 1 0 332.404 2.391 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819275653 785504881 /nfs/dbraw/zinc/50/48/81/785504881.db2.gz ZRQRVCXGBVDNIG-SMDDNHRTSA-N 1 0 339.392 2.131 20 5 EEBDRO O=C(CCc1ncc[nH]1)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107173255 786218597 /nfs/dbraw/zinc/21/85/97/786218597.db2.gz GLAMIGFPYXIAHN-UPHRSURJSA-N 1 0 347.350 2.174 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001107233745 786550183 /nfs/dbraw/zinc/55/01/83/786550183.db2.gz RNDUHESQVYOGPT-WAYWQWQTSA-N 1 0 334.420 2.328 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ncc(C)cc1[N+](=O)[O-] ZINC001107275417 786686177 /nfs/dbraw/zinc/68/61/77/786686177.db2.gz UQAVCFFLQDGWBE-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(N2CC[NH2+]CC2)no1 ZINC000823320516 787671530 /nfs/dbraw/zinc/67/15/30/787671530.db2.gz CGOBRZXBBIXKNZ-SNVBAGLBSA-N 1 0 335.389 2.241 20 5 EEBDRO Cc1n[nH]cc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996856635 787831122 /nfs/dbraw/zinc/83/11/22/787831122.db2.gz BFNXOJXFXFNNIX-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912811340 788381954 /nfs/dbraw/zinc/38/19/54/788381954.db2.gz IFRNLCSAYJOVGW-GXTWGEPZSA-N 1 0 334.420 2.369 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000825187784 788470729 /nfs/dbraw/zinc/47/07/29/788470729.db2.gz DATLEQYMYSHOGU-CHWSQXEVSA-N 1 0 332.404 2.052 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(F)(F)F ZINC000825208237 788503047 /nfs/dbraw/zinc/50/30/47/788503047.db2.gz TXLOYHIBHWEWED-MRVPVSSYSA-N 1 0 325.674 2.258 20 5 EEBDRO C[NH+](C)C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000923005787 788531588 /nfs/dbraw/zinc/53/15/88/788531588.db2.gz UANXXHFUZCQRIX-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC000913386183 788834298 /nfs/dbraw/zinc/83/42/98/788834298.db2.gz PLPNPPBNESWGCY-UHFFFAOYSA-N 1 0 327.743 2.099 20 5 EEBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000921533145 789069533 /nfs/dbraw/zinc/06/95/33/789069533.db2.gz KVUVMLGWIQADRG-LLVKDONJSA-N 1 0 345.346 2.007 20 5 EEBDRO Cc1conc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997152566 789260897 /nfs/dbraw/zinc/26/08/97/789260897.db2.gz OGHCZJLEVOPKGZ-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@]3(O)CCCOC3)CC2)cc1 ZINC000846107593 790052340 /nfs/dbraw/zinc/05/23/40/790052340.db2.gz JVJYHIADLYVBBH-GOSISDBHSA-N 1 0 349.431 2.085 20 5 EEBDRO [NH3+]Cc1ccc2cn(-c3ccc4nsnc4c3[N+](=O)[O-])nc2c1 ZINC001171324910 792271173 /nfs/dbraw/zinc/27/11/73/792271173.db2.gz ODWOWCZTSJYKSP-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001148504897 792500465 /nfs/dbraw/zinc/50/04/65/792500465.db2.gz NLHRNZQUOXALIO-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001148536947 792512178 /nfs/dbraw/zinc/51/21/78/792512178.db2.gz SAIZLYKDDCBKAH-UHFFFAOYSA-N 1 0 333.310 2.389 20 5 EEBDRO Cc1ccnc(NCCNC(=O)CCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001093648110 795512680 /nfs/dbraw/zinc/51/26/80/795512680.db2.gz GCHDXLMGXGDOGZ-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001000675749 796129670 /nfs/dbraw/zinc/12/96/70/796129670.db2.gz UWRAFNINRPRESR-HZPDHXFCSA-N 1 0 349.456 2.278 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153655823 796329082 /nfs/dbraw/zinc/32/90/82/796329082.db2.gz ADGGSFLUJUZBLR-MRXNPFEDSA-N 1 0 344.419 2.083 20 5 EEBDRO [NH3+]CCN(c1ncccn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897933 797127445 /nfs/dbraw/zinc/12/74/45/797127445.db2.gz DXTIMVQFDNWTQU-HNNXBMFYSA-N 1 0 327.388 2.098 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCN(C3COC3)C1)CC2 ZINC001172902047 797129487 /nfs/dbraw/zinc/12/94/87/797129487.db2.gz UFPYHJCBSOAMPA-DLBZAZTESA-N 1 0 345.443 2.295 20 5 EEBDRO CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903443 797130456 /nfs/dbraw/zinc/13/04/56/797130456.db2.gz FYNALHCLWOJHJY-WMLDXEAASA-N 1 0 331.416 2.300 20 5 EEBDRO Cc1cc(N(C(N)=[NH2+])[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n[nH]1 ZINC001172907743 797133110 /nfs/dbraw/zinc/13/31/10/797133110.db2.gz HUOKUMXHLZVDMP-ZDUSSCGKSA-N 1 0 328.376 2.274 20 5 EEBDRO NC(=O)c1cncc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172907982 797133568 /nfs/dbraw/zinc/13/35/68/797133568.db2.gz VVRFLFKLBHKBSG-INIZCTEOSA-N 1 0 340.383 2.126 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000917015243 798021429 /nfs/dbraw/zinc/02/14/29/798021429.db2.gz OJXZBNKWCMNANI-CYBMUJFWSA-N 1 0 337.763 2.173 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001176161934 798375844 /nfs/dbraw/zinc/37/58/44/798375844.db2.gz SHVWCZLDCGNTLX-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO Cc1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001178464215 799486535 /nfs/dbraw/zinc/48/65/35/799486535.db2.gz QRWMGYWTIPVLLW-HUUCEWRRSA-N 1 0 339.461 2.488 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc[nH]1 ZINC001086028064 801970581 /nfs/dbraw/zinc/97/05/81/801970581.db2.gz VUZHWVHKHWEXFM-OKILXGFUSA-N 1 0 328.372 2.221 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086031257 801972309 /nfs/dbraw/zinc/97/23/09/801972309.db2.gz SDLDVYPVPASCBA-GASCZTMLSA-N 1 0 342.399 2.232 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363317 802829970 /nfs/dbraw/zinc/82/99/70/802829970.db2.gz NXJUPRGGQLGVFQ-DNRKLUKYSA-N 1 0 343.836 2.051 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(-n2cc(CC[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168949279 803534702 /nfs/dbraw/zinc/53/47/02/803534702.db2.gz IBDYKTOCOKZJDR-UHFFFAOYSA-N 1 0 332.360 2.237 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168960716 803550158 /nfs/dbraw/zinc/55/01/58/803550158.db2.gz GOMBDOGLNKFVOG-QWHCGFSZSA-N 1 0 339.436 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962336 803551243 /nfs/dbraw/zinc/55/12/43/803551243.db2.gz LLWIAIJHSPIOMA-YTFOTSKYSA-N 1 0 339.436 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168965110 803552039 /nfs/dbraw/zinc/55/20/39/803552039.db2.gz YDQVPYUQZSWEOK-KHMAMNHCSA-N 1 0 339.436 2.134 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC001168966508 803552554 /nfs/dbraw/zinc/55/25/54/803552554.db2.gz IVPXKAIBPVNBBM-CVEARBPZSA-N 1 0 325.453 2.057 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)C1 ZINC001168969058 803553460 /nfs/dbraw/zinc/55/34/60/803553460.db2.gz BSGCGSIPQIHFIB-ZFWWWQNUSA-N 1 0 335.404 2.174 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](F)C1 ZINC001168969117 803553544 /nfs/dbraw/zinc/55/35/44/803553544.db2.gz CLFKGFZVNYGXLC-YIYPIFLZSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011288 803570747 /nfs/dbraw/zinc/57/07/47/803570747.db2.gz JIITYRFTMFSJRL-RMEBNNNOSA-N 1 0 339.436 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169012185 803571468 /nfs/dbraw/zinc/57/14/68/803571468.db2.gz OPMUKKRTJOYEBY-AAVRWANBSA-N 1 0 345.415 2.369 20 5 EEBDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169030249 803577410 /nfs/dbraw/zinc/57/74/10/803577410.db2.gz XHYLNPMNTJIXKJ-NPCUJANDSA-N 1 0 335.448 2.059 20 5 EEBDRO O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169045562 803579504 /nfs/dbraw/zinc/57/95/04/803579504.db2.gz JLMWXFPRMRTXEI-RDJZCZTQSA-N 1 0 331.416 2.280 20 5 EEBDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019229 803588064 /nfs/dbraw/zinc/58/80/64/803588064.db2.gz FVNLUQROZRUDTA-BPUTZDHNSA-N 1 0 335.448 2.203 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(CC)nc21 ZINC001169022991 803589380 /nfs/dbraw/zinc/58/93/80/803589380.db2.gz NYXIPSJYDHZOPG-CWRNSKLLSA-N 1 0 336.436 2.284 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804329945 803857681 /nfs/dbraw/zinc/85/76/81/803857681.db2.gz FMTMHYHDCXEKJS-LBPRGKRZSA-N 1 0 338.364 2.272 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001169685076 803954378 /nfs/dbraw/zinc/95/43/78/803954378.db2.gz ZDWQLTDJIBTXQJ-AWEZNQCLSA-N 1 0 341.371 2.329 20 5 EEBDRO Cc1c(CNC(=S)NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000790334458 808628459 /nfs/dbraw/zinc/62/84/59/808628459.db2.gz XOZGFIMOEHLKLV-UHFFFAOYSA-N 1 0 338.477 2.455 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000790912083 808994852 /nfs/dbraw/zinc/99/48/52/808994852.db2.gz NGWUSXFBIPPGSW-ZJUUUORDSA-N 1 0 343.786 2.481 20 5 EEBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170296781 809869874 /nfs/dbraw/zinc/86/98/74/809869874.db2.gz IGRJUEIVDOOCOT-QWHCGFSZSA-N 1 0 337.420 2.381 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[C@@](C)(O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170334598 809899143 /nfs/dbraw/zinc/89/91/43/809899143.db2.gz HEHVYVIYTUVISY-KNXALSJPSA-N 1 0 326.368 2.329 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355499 809903072 /nfs/dbraw/zinc/90/30/72/809903072.db2.gz HGKDQGGJVWIOLG-UKRRQHHQSA-N 1 0 347.415 2.231 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356142 809903475 /nfs/dbraw/zinc/90/34/75/809903475.db2.gz YNWQHGHFWZQBIC-DOMZBBRYSA-N 1 0 348.399 2.419 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([N+](=O)[O-])c1 ZINC001170340146 809914732 /nfs/dbraw/zinc/91/47/32/809914732.db2.gz DWXZOJKEGRPSSX-APHBMKBZSA-N 1 0 347.415 2.230 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)CCN(C(C)=O)C3)c([N+](=O)[O-])c1 ZINC001170343735 809915297 /nfs/dbraw/zinc/91/52/97/809915297.db2.gz RUTBJTSSUAILSQ-CYBMUJFWSA-N 1 0 347.415 2.089 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnc2[nH]ccc2c1 ZINC001129985978 811073162 /nfs/dbraw/zinc/07/31/62/811073162.db2.gz DXTPDHADGPJAGN-UHFFFAOYSA-N 1 0 345.384 2.004 20 5 EEBDRO Cc1cc(C)nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001130666649 811904085 /nfs/dbraw/zinc/90/40/85/811904085.db2.gz UEDYLZYNSVHAGW-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104149556 219353607 /nfs/dbraw/zinc/35/36/07/219353607.db2.gz UIPPCCZKUCUNGW-CYBMUJFWSA-N 1 0 334.420 2.336 20 5 EEBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870088 234016364 /nfs/dbraw/zinc/01/63/64/234016364.db2.gz WSLSPZKPBDRCIC-TZMCWYRMSA-N 1 0 330.388 2.198 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[N@H+](C)C1CC1 ZINC000186761720 236010903 /nfs/dbraw/zinc/01/09/03/236010903.db2.gz LVHWMZJJFSPCNW-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269200022 283472760 /nfs/dbraw/zinc/47/27/60/283472760.db2.gz XERJVEKNNSJHGI-QMMMGPOBSA-N 1 0 346.156 2.060 20 5 EEBDRO COC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000422830966 240252995 /nfs/dbraw/zinc/25/29/95/240252995.db2.gz JDUHMNQGTSNJEW-HNNXBMFYSA-N 1 0 349.387 2.019 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCNc2ccccn2)n1 ZINC000447546808 242287071 /nfs/dbraw/zinc/28/70/71/242287071.db2.gz YZMUTTCRRWZNIB-UONOGXRCSA-N 1 0 330.392 2.372 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449590266 296104963 /nfs/dbraw/zinc/10/49/63/296104963.db2.gz LBHOYKFTBWRKDJ-QWHCGFSZSA-N 1 0 334.420 2.297 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000448182322 242376389 /nfs/dbraw/zinc/37/63/89/242376389.db2.gz SGWAIGGSBIHXHT-DOMZBBRYSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245797472 243158564 /nfs/dbraw/zinc/15/85/64/243158564.db2.gz ZBCZBYIZQWNGRS-VLXAULBPSA-N 1 0 333.388 2.469 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262824073 245197416 /nfs/dbraw/zinc/19/74/16/245197416.db2.gz HCJASESIBMBUMV-IUCAKERBSA-N 1 0 342.193 2.228 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1SC ZINC000262887619 245234002 /nfs/dbraw/zinc/23/40/02/245234002.db2.gz OEBNZIXMMRWMMW-NXEZZACHSA-N 1 0 339.417 2.196 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459783500 245246997 /nfs/dbraw/zinc/24/69/97/245246997.db2.gz ZWPYZHVBGPOAMV-CABCVRRESA-N 1 0 333.388 2.471 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186572193 296227467 /nfs/dbraw/zinc/22/74/67/296227467.db2.gz SVJIVVZYMKHKLL-AWEZNQCLSA-N 1 0 344.371 2.367 20 5 EEBDRO CCOc1cc(C(=O)N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000494717151 247011224 /nfs/dbraw/zinc/01/12/24/247011224.db2.gz BIQDQJVDFUEVNI-LLVKDONJSA-N 1 0 339.392 2.249 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000265128125 247229763 /nfs/dbraw/zinc/22/97/63/247229763.db2.gz MAMSAOBWOJZLQU-CVEARBPZSA-N 1 0 333.388 2.485 20 5 EEBDRO Nc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000265157789 247257312 /nfs/dbraw/zinc/25/73/12/247257312.db2.gz VDXLHYVHSARLJZ-CYBMUJFWSA-N 1 0 328.376 2.044 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265381957 247456545 /nfs/dbraw/zinc/45/65/45/247456545.db2.gz QKZDUIKMECCEKO-LLVKDONJSA-N 1 0 343.811 2.474 20 5 EEBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266609176 248381568 /nfs/dbraw/zinc/38/15/68/248381568.db2.gz QUQNQRHSLRPDIX-AAEUAGOBSA-N 1 0 338.795 2.499 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353393260 284649257 /nfs/dbraw/zinc/64/92/57/284649257.db2.gz ZIINXMWCFNEFMR-ZJUUUORDSA-N 1 0 343.305 2.295 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccncc21 ZINC000095392611 218323687 /nfs/dbraw/zinc/32/36/87/218323687.db2.gz JTSOXKWZKAHADI-CHWSQXEVSA-N 1 0 328.372 2.418 20 5 EEBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000268553720 252017391 /nfs/dbraw/zinc/01/73/91/252017391.db2.gz NBJDLQMVIDJSNA-UHFFFAOYSA-N 1 0 339.392 2.025 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261614913 285083320 /nfs/dbraw/zinc/08/33/20/285083320.db2.gz TWTLSIUYXLYFKR-NXEZZACHSA-N 1 0 326.194 2.403 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1SC ZINC000269232460 255549791 /nfs/dbraw/zinc/54/97/91/255549791.db2.gz VVUKGNBEOOYPFE-MWLCHTKSSA-N 1 0 339.417 2.135 20 5 EEBDRO CC(C)c1nc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000267085349 256025639 /nfs/dbraw/zinc/02/56/39/256025639.db2.gz OCAAXJSKLNSFIP-UHFFFAOYSA-N 1 0 334.380 2.177 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000270596029 256151612 /nfs/dbraw/zinc/15/16/12/256151612.db2.gz YXFUCMAKAYLIMO-QGZVFWFLSA-N 1 0 346.431 2.407 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1O ZINC000273063331 256261908 /nfs/dbraw/zinc/26/19/08/256261908.db2.gz FMEPOFHWDBCRSK-OAHLLOKOSA-N 1 0 346.383 2.392 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000119674676 221373790 /nfs/dbraw/zinc/37/37/90/221373790.db2.gz DVQDDORGBYFJOK-HNNXBMFYSA-N 1 0 347.415 2.420 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000111353257 142359823 /nfs/dbraw/zinc/35/98/23/142359823.db2.gz NZOPXRQNUWSNKB-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO C[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000120046195 292250970 /nfs/dbraw/zinc/25/09/70/292250970.db2.gz LFWNUYYVFIIZPR-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO C[N@H+](CCCO)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000115548334 152027306 /nfs/dbraw/zinc/02/73/06/152027306.db2.gz YOHVHIVGEPDHHA-UHFFFAOYSA-N 1 0 325.384 2.013 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173284977 152156073 /nfs/dbraw/zinc/15/60/73/152156073.db2.gz RCKXQVDEJGZERC-OAHLLOKOSA-N 1 0 347.415 2.354 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262492994 152285959 /nfs/dbraw/zinc/28/59/59/152285959.db2.gz VMFFQVQIYSPPQP-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000127667711 292328857 /nfs/dbraw/zinc/32/88/57/292328857.db2.gz KCKZBNJDNPHVCH-ZDUSSCGKSA-N 1 0 348.359 2.101 20 5 EEBDRO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000096970338 159244891 /nfs/dbraw/zinc/24/48/91/159244891.db2.gz XSHMENSHEIPAEO-UHFFFAOYSA-N 1 0 335.360 2.384 20 5 EEBDRO O=C([C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000104091285 159282828 /nfs/dbraw/zinc/28/28/28/159282828.db2.gz JYCQBUDSKNZUKM-INIZCTEOSA-N 1 0 349.456 2.177 20 5 EEBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000193794215 160186808 /nfs/dbraw/zinc/18/68/08/160186808.db2.gz WDIJYQMIAGJOHG-CQSZACIVSA-N 1 0 329.356 2.440 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245499747 160239131 /nfs/dbraw/zinc/23/91/31/160239131.db2.gz YTGLNAGPBTZJHD-YPMHNXCESA-N 1 0 334.376 2.304 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000247333446 160320548 /nfs/dbraw/zinc/32/05/48/160320548.db2.gz VMKWKYVBTJSBQX-GJZGRUSLSA-N 1 0 347.415 2.306 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000343058999 161099275 /nfs/dbraw/zinc/09/92/75/161099275.db2.gz VZNUSDFWFGVVLQ-UHFFFAOYSA-N 1 0 344.371 2.111 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000344002090 161188628 /nfs/dbraw/zinc/18/86/28/161188628.db2.gz UMQRILPRMBSENM-GFCCVEGCSA-N 1 0 341.433 2.285 20 5 EEBDRO Cn1ccnc1[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000344254725 161211624 /nfs/dbraw/zinc/21/16/24/161211624.db2.gz HBXDMBTXMZXJTI-CQSZACIVSA-N 1 0 329.360 2.279 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000344946635 161258326 /nfs/dbraw/zinc/25/83/26/161258326.db2.gz XGOSWMOEWZLBPM-NEPJUHHUSA-N 1 0 339.417 2.037 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345518794 161307949 /nfs/dbraw/zinc/30/79/49/161307949.db2.gz KKSVGXPQPJIMNU-KBPBESRZSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000351955705 162000084 /nfs/dbraw/zinc/00/00/84/162000084.db2.gz KTRJNFVLXLYMGG-ZJUUUORDSA-N 1 0 343.330 2.409 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352695716 162250462 /nfs/dbraw/zinc/25/04/62/162250462.db2.gz FBVZCJYNGOBIMT-ZDUSSCGKSA-N 1 0 335.408 2.092 20 5 EEBDRO CSC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000355469991 163201411 /nfs/dbraw/zinc/20/14/11/163201411.db2.gz OKZDPGKZEUKADL-UHFFFAOYSA-N 1 0 341.408 2.291 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000358916329 164014962 /nfs/dbraw/zinc/01/49/62/164014962.db2.gz SKQNIZOIBVFYQQ-LBPRGKRZSA-N 1 0 325.413 2.032 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000359214005 164084997 /nfs/dbraw/zinc/08/49/97/164084997.db2.gz PEIUBAJWQVOEDP-ABAIWWIYSA-N 1 0 332.404 2.185 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000364640114 165217575 /nfs/dbraw/zinc/21/75/75/165217575.db2.gz AYUGQUBWKRITLC-KBPBESRZSA-N 1 0 332.356 2.417 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364801836 165279485 /nfs/dbraw/zinc/27/94/85/165279485.db2.gz PVBUPLYGXGCTBA-HUUCEWRRSA-N 1 0 347.415 2.311 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000368718991 166115978 /nfs/dbraw/zinc/11/59/78/166115978.db2.gz MDRHVMUDTKPZGK-CYBMUJFWSA-N 1 0 332.404 2.067 20 5 EEBDRO Cc1cc([C@@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000368738426 166119074 /nfs/dbraw/zinc/11/90/74/166119074.db2.gz VQIQSPKAMOTHCI-PBHICJAKSA-N 1 0 347.371 2.468 20 5 EEBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1=CC[N@H+](C)CC1 ZINC000272652489 269003969 /nfs/dbraw/zinc/00/39/69/269003969.db2.gz FKIRCRRADIYTTJ-CYBMUJFWSA-N 1 0 342.399 2.316 20 5 EEBDRO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272740139 269015176 /nfs/dbraw/zinc/01/51/76/269015176.db2.gz CQBMACXWUMLQLY-CYBMUJFWSA-N 1 0 332.404 2.387 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277656608 269167782 /nfs/dbraw/zinc/16/77/82/269167782.db2.gz VUTLOTMRGNSWQJ-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]2C1 ZINC000278266623 269220743 /nfs/dbraw/zinc/22/07/43/269220743.db2.gz AGRQVVLQPUKPSW-AOOOYVTPSA-N 1 0 326.194 2.355 20 5 EEBDRO CC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278494203 269233532 /nfs/dbraw/zinc/23/35/32/269233532.db2.gz ULWRXASVMBWAFC-UHFFFAOYSA-N 1 0 348.325 2.365 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3CCO)o2)cc1 ZINC000279277057 269266149 /nfs/dbraw/zinc/26/61/49/269266149.db2.gz OBXYWDYXQGJLNH-FZMZJTMJSA-N 1 0 332.360 2.286 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279676464 269299247 /nfs/dbraw/zinc/29/92/47/269299247.db2.gz ZNXQUCNGFLBFEK-UHFFFAOYSA-N 1 0 331.775 2.386 20 5 EEBDRO CC(C)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639263 273513261 /nfs/dbraw/zinc/51/32/61/273513261.db2.gz QYYHOCYBJRZSAQ-UHFFFAOYSA-N 1 0 332.404 2.258 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000354358291 273814308 /nfs/dbraw/zinc/81/43/08/273814308.db2.gz RFNCHSMNUORGRC-AWEZNQCLSA-N 1 0 342.399 2.080 20 5 EEBDRO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000269663630 274116677 /nfs/dbraw/zinc/11/66/77/274116677.db2.gz RJWDPTJZQCDEEA-UKRRQHHQSA-N 1 0 332.360 2.199 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271678289 274149941 /nfs/dbraw/zinc/14/99/41/274149941.db2.gz JEVHDUJHBDFSJJ-GFCCVEGCSA-N 1 0 349.412 2.136 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000272092442 274165066 /nfs/dbraw/zinc/16/50/66/274165066.db2.gz YGUWURBDPUCAGD-DZGCQCFKSA-N 1 0 325.434 2.081 20 5 EEBDRO NC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000274343492 274190118 /nfs/dbraw/zinc/19/01/18/274190118.db2.gz IWJIBZOHDSUMTN-BXUZGUMPSA-N 1 0 344.371 2.183 20 5 EEBDRO COC(=O)CCCCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289676086 275138133 /nfs/dbraw/zinc/13/81/33/275138133.db2.gz DTDOYWCIPXRTAQ-UHFFFAOYSA-N 1 0 340.376 2.435 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)C3CCCC3)n2)c1 ZINC000289680899 275138484 /nfs/dbraw/zinc/13/84/84/275138484.db2.gz XAGRMVIKQAVQQN-CQSZACIVSA-N 1 0 332.360 2.286 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000289703802 275140767 /nfs/dbraw/zinc/14/07/67/275140767.db2.gz MLCCCVWTXFLUME-LBPRGKRZSA-N 1 0 339.440 2.035 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000292061945 275369993 /nfs/dbraw/zinc/36/99/93/275369993.db2.gz ZWOUXYIGDZAUCJ-LLVKDONJSA-N 1 0 339.392 2.071 20 5 EEBDRO CC1CC[NH+](CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000176814168 276197093 /nfs/dbraw/zinc/19/70/93/276197093.db2.gz ATXVKQJSMODFLA-UHFFFAOYSA-N 1 0 332.448 2.449 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000124581588 278066345 /nfs/dbraw/zinc/06/63/45/278066345.db2.gz LRAPIPASYUCTBG-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000193493869 279032872 /nfs/dbraw/zinc/03/28/72/279032872.db2.gz JAXSROXJIXFHOJ-KWQFWETISA-N 1 0 331.294 2.484 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000349216700 279110257 /nfs/dbraw/zinc/11/02/57/279110257.db2.gz KYKBLXAZROJNHG-KRWDZBQOSA-N 1 0 349.431 2.476 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000192942422 279179193 /nfs/dbraw/zinc/17/91/93/279179193.db2.gz FJJDNJLKPJMEKD-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO Cc1c(Br)c(N2C[C@@H](C[NH3+])C[C@H]2C)ncc1[N+](=O)[O-] ZINC000228018007 280198535 /nfs/dbraw/zinc/19/85/35/280198535.db2.gz QDPUGEBSJAJHCO-VXNVDRBHSA-N 1 0 329.198 2.234 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368021470 281019705 /nfs/dbraw/zinc/01/97/05/281019705.db2.gz RJAAUZLUKSFAPS-UKRRQHHQSA-N 1 0 332.404 2.454 20 5 EEBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284103223 293032012 /nfs/dbraw/zinc/03/20/12/293032012.db2.gz MXUSTXOKBGJELU-HIFRSBDPSA-N 1 0 326.418 2.083 20 5 EEBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000293037581 293108506 /nfs/dbraw/zinc/10/85/06/293108506.db2.gz LTFUMZTZXPEWPK-QGZVFWFLSA-N 1 0 349.431 2.334 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000295103350 293614411 /nfs/dbraw/zinc/61/44/11/293614411.db2.gz KRGQQDWOBWUNCY-OAHLLOKOSA-N 1 0 334.347 2.436 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)cc1OC(F)F ZINC000296048904 293879733 /nfs/dbraw/zinc/87/97/33/293879733.db2.gz QGNHYCFYZJAEGW-UHFFFAOYSA-N 1 0 331.319 2.065 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296536704 294002241 /nfs/dbraw/zinc/00/22/41/294002241.db2.gz SAWINLYTUKPPDE-MQIPJXDCSA-N 1 0 332.404 2.438 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000296721408 294049515 /nfs/dbraw/zinc/04/95/15/294049515.db2.gz NODHZJDHDVLURD-LLVKDONJSA-N 1 0 339.367 2.299 20 5 EEBDRO CC(C)(CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N+](=O)[O-] ZINC000297592249 294289911 /nfs/dbraw/zinc/28/99/11/294289911.db2.gz UFTZNWHCVVGFDS-UHFFFAOYSA-N 1 0 334.420 2.250 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488881062 303052496 /nfs/dbraw/zinc/05/24/96/303052496.db2.gz OAHIZLLZSYNVMF-UHFFFAOYSA-N 1 0 349.435 2.199 20 5 EEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160692594 311357481 /nfs/dbraw/zinc/35/74/81/311357481.db2.gz DCPPNBUXRRDFID-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1[NH+](C)C ZINC000331669039 311887968 /nfs/dbraw/zinc/88/79/68/311887968.db2.gz YKQOCNGPPMLKAJ-KBPBESRZSA-N 1 0 348.428 2.194 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332473833 312012546 /nfs/dbraw/zinc/01/25/46/312012546.db2.gz KUAVAVWRZAQBHK-AWEZNQCLSA-N 1 0 332.404 2.012 20 5 EEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000413958672 312942417 /nfs/dbraw/zinc/94/24/17/312942417.db2.gz OSMZFULKVHVERI-UHFFFAOYSA-N 1 0 348.359 2.124 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000414660260 313058866 /nfs/dbraw/zinc/05/88/66/313058866.db2.gz VCXLDNYGMQBEDE-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC([NH3+])C1 ZINC000414940459 313113252 /nfs/dbraw/zinc/11/32/52/313113252.db2.gz BNBPLFYIDSECIF-UHFFFAOYSA-N 1 0 330.291 2.150 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415768419 313182008 /nfs/dbraw/zinc/18/20/08/313182008.db2.gz VMGYSHIAEAEGRQ-IINYFYTJSA-N 1 0 336.392 2.392 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126038 313430620 /nfs/dbraw/zinc/43/06/20/313430620.db2.gz CIFFCJXLPCRHLI-MZGVZZPPSA-N 1 0 332.404 2.425 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000417721041 313576322 /nfs/dbraw/zinc/57/63/22/313576322.db2.gz SVBZKOPXIRSQOL-ZDUSSCGKSA-N 1 0 337.424 2.132 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000417990674 313680025 /nfs/dbraw/zinc/68/00/25/313680025.db2.gz MMBUCRXHHLVAMW-MFKMUULPSA-N 1 0 340.811 2.169 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC1=CC[NH2+]CC1 ZINC000418634531 313865808 /nfs/dbraw/zinc/86/58/08/313865808.db2.gz FUTCGQQWFSFKRL-UHFFFAOYSA-N 1 0 332.404 2.089 20 5 EEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000421003262 314021003 /nfs/dbraw/zinc/02/10/03/314021003.db2.gz GYNSFOWFULIMCI-UHFFFAOYSA-N 1 0 335.404 2.472 20 5 EEBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000421009670 314023699 /nfs/dbraw/zinc/02/36/99/314023699.db2.gz CDIXRWYFQIOEFV-SJORKVTESA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C[NH3+] ZINC000430577195 314549462 /nfs/dbraw/zinc/54/94/62/314549462.db2.gz YQSCRZOWHDXHKA-SMDDNHRTSA-N 1 0 331.376 2.204 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440414435 315129822 /nfs/dbraw/zinc/12/98/22/315129822.db2.gz ZCYPKWHCWBUALB-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441605980 315189222 /nfs/dbraw/zinc/18/92/22/315189222.db2.gz XFXYONUAUWRZEK-OLZOCXBDSA-N 1 0 334.420 2.156 20 5 EEBDRO CS(=O)(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000449129620 315420879 /nfs/dbraw/zinc/42/08/79/315420879.db2.gz CYKVRARXGMSGST-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO CC(C)[C@@H](O)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000514673479 316410161 /nfs/dbraw/zinc/41/01/61/316410161.db2.gz LYAFVWINCQLRQI-MRXNPFEDSA-N 1 0 335.404 2.310 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194376 318206653 /nfs/dbraw/zinc/20/66/53/318206653.db2.gz USEGHKHIGNGBAY-BBRMVZONSA-N 1 0 342.399 2.184 20 5 EEBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1 ZINC000562997760 318955729 /nfs/dbraw/zinc/95/57/29/318955729.db2.gz WIEQEORGJUYFBN-UHFFFAOYSA-N 1 0 337.767 2.063 20 5 EEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000563424747 319010346 /nfs/dbraw/zinc/01/03/46/319010346.db2.gz MOZUGCCMGXPLRO-UHFFFAOYSA-N 1 0 338.383 2.077 20 5 EEBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCS1 ZINC000566004734 319234196 /nfs/dbraw/zinc/23/41/96/319234196.db2.gz ATLOETQBNZGDRC-DOMZBBRYSA-N 1 0 326.418 2.210 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3sc(Cl)cc32)c1 ZINC000567161621 319353740 /nfs/dbraw/zinc/35/37/40/319353740.db2.gz GGFPZKPSSZMEOO-MWLCHTKSSA-N 1 0 342.808 2.144 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000574355501 320017704 /nfs/dbraw/zinc/01/77/04/320017704.db2.gz WMSYLXAKELGNJG-HZPDHXFCSA-N 1 0 343.383 2.219 20 5 EEBDRO CCCC[N@H+](CCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000182155972 323366169 /nfs/dbraw/zinc/36/61/69/323366169.db2.gz UJSTXGCLFNUNTJ-MRXNPFEDSA-N 1 0 335.404 2.185 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000582900325 324553069 /nfs/dbraw/zinc/55/30/69/324553069.db2.gz LLKAYUWFZCHUGL-IOASZLSFSA-N 1 0 333.388 2.471 20 5 EEBDRO Cc1cc(N(C)C)nc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)[nH+]1 ZINC000619735448 450323767 /nfs/dbraw/zinc/32/37/67/450323767.db2.gz UDUJJIGZSJHAQH-UHFFFAOYSA-N 1 0 345.359 2.143 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000133662276 462956783 /nfs/dbraw/zinc/95/67/83/462956783.db2.gz MMKJYVWHGMMWOS-SKDRFNHKSA-N 1 0 348.359 2.166 20 5 EEBDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000326653136 465043205 /nfs/dbraw/zinc/04/32/05/465043205.db2.gz YOCPKMKSZNSTBU-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000341225509 465065964 /nfs/dbraw/zinc/06/59/64/465065964.db2.gz FNKARAWDTDOABB-KRWDZBQOSA-N 1 0 343.383 2.271 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296453696 465199679 /nfs/dbraw/zinc/19/96/79/465199679.db2.gz XCCDFHQLBRIQGH-YLQAJVPDSA-N 1 0 338.404 2.128 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351618485 465255368 /nfs/dbraw/zinc/25/53/68/465255368.db2.gz HLRVQURBVIEFPD-TZMCWYRMSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[NH+](CC)CCOCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000347883765 465284540 /nfs/dbraw/zinc/28/45/40/465284540.db2.gz VXBPUJYJXJYQKR-UHFFFAOYSA-N 1 0 327.410 2.074 20 5 EEBDRO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000356384225 465351439 /nfs/dbraw/zinc/35/14/39/465351439.db2.gz DELBFVUAYJBVBC-SWLSCSKDSA-N 1 0 334.420 2.439 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000590661470 468297684 /nfs/dbraw/zinc/29/76/84/468297684.db2.gz UMVRUCFQYOPKOD-ZDUSSCGKSA-N 1 0 335.404 2.282 20 5 EEBDRO CCC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153169010 462622292 /nfs/dbraw/zinc/62/22/92/462622292.db2.gz XVFMCHKZUODINL-OAHLLOKOSA-N 1 0 335.404 2.308 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000590694603 468309659 /nfs/dbraw/zinc/30/96/59/468309659.db2.gz UMRVPNGXZRDJBL-HNNXBMFYSA-N 1 0 328.372 2.054 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270961 462747903 /nfs/dbraw/zinc/74/79/03/462747903.db2.gz UDWBSBNVZLOMTD-NEPJUHHUSA-N 1 0 344.433 2.467 20 5 EEBDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075861741 462766714 /nfs/dbraw/zinc/76/67/14/462766714.db2.gz LZLLRAABJAQQIK-QGZVFWFLSA-N 1 0 346.431 2.370 20 5 EEBDRO COc1cc(C)c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090539800 462796580 /nfs/dbraw/zinc/79/65/80/462796580.db2.gz JTYNGTBEIAROPL-GFCCVEGCSA-N 1 0 334.376 2.468 20 5 EEBDRO CCc1nn(C)c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091736629 462900869 /nfs/dbraw/zinc/90/08/69/462900869.db2.gz QTFZHQVHGJNJIM-BETUJISGSA-N 1 0 339.440 2.192 20 5 EEBDRO CC[C@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000133203336 462907545 /nfs/dbraw/zinc/90/75/45/462907545.db2.gz KCAHIDCEPDUQQC-INIZCTEOSA-N 1 0 332.360 2.036 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133514465 462940267 /nfs/dbraw/zinc/94/02/67/462940267.db2.gz LHYDLEBOCGWBNR-QWRGUYRKSA-N 1 0 334.376 2.204 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121016510 463066463 /nfs/dbraw/zinc/06/64/63/463066463.db2.gz OPBGEDSXWZMEEX-UHFFFAOYSA-N 1 0 330.388 2.461 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000077965628 463075910 /nfs/dbraw/zinc/07/59/10/463075910.db2.gz QVWZWSKLEDFGEX-LBPRGKRZSA-N 1 0 334.376 2.063 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000024682878 463093488 /nfs/dbraw/zinc/09/34/88/463093488.db2.gz IUFDBOJESSDWBT-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000078783657 463148743 /nfs/dbraw/zinc/14/87/43/463148743.db2.gz PBARWKDPYNQJAK-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO CSC[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135452290 463158524 /nfs/dbraw/zinc/15/85/24/463158524.db2.gz UNFSNPKCXPHGKZ-KGLIPLIRSA-N 1 0 326.418 2.162 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccncc1 ZINC000121574100 463160302 /nfs/dbraw/zinc/16/03/02/463160302.db2.gz ALAQFPNFBFZVDO-ZDUSSCGKSA-N 1 0 328.372 2.491 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000122072147 463236577 /nfs/dbraw/zinc/23/65/77/463236577.db2.gz JCAJSRZRNZDZJJ-UHFFFAOYSA-N 1 0 346.362 2.429 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000054645843 463251126 /nfs/dbraw/zinc/25/11/26/463251126.db2.gz WWDYNAUMIASBPH-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011550 468349372 /nfs/dbraw/zinc/34/93/72/468349372.db2.gz OUBNZTYKKHANGL-CKLFPEKLSA-N 1 0 341.795 2.324 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055749955 463347370 /nfs/dbraw/zinc/34/73/70/463347370.db2.gz YDYZOCURWBPUIK-QLFBSQMISA-N 1 0 349.431 2.456 20 5 EEBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000080747827 463352032 /nfs/dbraw/zinc/35/20/32/463352032.db2.gz NSNLZQHWNKYNFL-MNOVXSKESA-N 1 0 335.360 2.382 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000161218916 463411636 /nfs/dbraw/zinc/41/16/36/463411636.db2.gz QXNDHLKUBBUHRS-ZDUSSCGKSA-N 1 0 326.356 2.307 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000150903405 463449322 /nfs/dbraw/zinc/44/93/22/463449322.db2.gz ZQFFJGAICRIEJL-UHFFFAOYSA-N 1 0 349.431 2.145 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168443 463488293 /nfs/dbraw/zinc/48/82/93/463488293.db2.gz AJLHQHPZYINYST-BJKJVOPESA-N 1 0 333.388 2.469 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162281608 463498353 /nfs/dbraw/zinc/49/83/53/463498353.db2.gz XNSLGLSPBRMHOL-NEPJUHHUSA-N 1 0 341.795 2.403 20 5 EEBDRO CCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000125336903 463532855 /nfs/dbraw/zinc/53/28/55/463532855.db2.gz CEHZGDGWZXTJPM-LBPRGKRZSA-N 1 0 329.422 2.041 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163480465 463591732 /nfs/dbraw/zinc/59/17/32/463591732.db2.gz POEHSTMHCASIDD-AWEZNQCLSA-N 1 0 334.420 2.396 20 5 EEBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000165107274 463639188 /nfs/dbraw/zinc/63/91/88/463639188.db2.gz WWZRADMEZDVTRM-HIFRSBDPSA-N 1 0 335.404 2.191 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000553530940 468371393 /nfs/dbraw/zinc/37/13/93/468371393.db2.gz YTUPUUXSTDGZIZ-BLQFLSLASA-N 1 0 346.387 2.075 20 5 EEBDRO CNC(=O)OC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000286923521 463744468 /nfs/dbraw/zinc/74/44/68/463744468.db2.gz KPXIHIBKUYOQRI-CQSZACIVSA-N 1 0 337.376 2.314 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286928266 463745262 /nfs/dbraw/zinc/74/52/62/463745262.db2.gz DQNYJATXFTWXMM-CJNGLKHVSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000870 463826940 /nfs/dbraw/zinc/82/69/40/463826940.db2.gz RTRMTGDENLCCED-SWLSCSKDSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000194380048 463849461 /nfs/dbraw/zinc/84/94/61/463849461.db2.gz KIPITETUHZQISG-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO O=C([C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CCCC1 ZINC000287372481 463882295 /nfs/dbraw/zinc/88/22/95/463882295.db2.gz MLNPSLRVBXALPF-LBPRGKRZSA-N 1 0 344.371 2.180 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269235916 463920887 /nfs/dbraw/zinc/92/08/87/463920887.db2.gz BLPXGXIHUGXIOX-SECBINFHSA-N 1 0 348.172 2.210 20 5 EEBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186050255 463928337 /nfs/dbraw/zinc/92/83/37/463928337.db2.gz QUUUDERFMGAIMU-ROUUACIJSA-N 1 0 344.415 2.249 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000269323200 463952840 /nfs/dbraw/zinc/95/28/40/463952840.db2.gz JYQNYKQAQZEPNB-UHFFFAOYSA-N 1 0 337.424 2.436 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269332200 463954321 /nfs/dbraw/zinc/95/43/21/463954321.db2.gz APQUSHQFYSYDIN-NEPJUHHUSA-N 1 0 335.408 2.140 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317010 464039522 /nfs/dbraw/zinc/03/95/22/464039522.db2.gz GLVVZGMZCFPOIU-GXTWGEPZSA-N 1 0 335.429 2.382 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263304857 464081778 /nfs/dbraw/zinc/08/17/78/464081778.db2.gz XRKOQZYGMBXPNB-AEFFLSMTSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000269770438 464088239 /nfs/dbraw/zinc/08/82/39/464088239.db2.gz ARNXZVRHZWSBSO-FZMZJTMJSA-N 1 0 332.360 2.380 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173122119 464194765 /nfs/dbraw/zinc/19/47/65/464194765.db2.gz IUPJKNBGIILZHM-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000263864480 464220233 /nfs/dbraw/zinc/22/02/33/464220233.db2.gz BIVPEBPKPFETAS-LBPRGKRZSA-N 1 0 338.408 2.133 20 5 EEBDRO C[C@@H]1OCC[C@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280615671 464223160 /nfs/dbraw/zinc/22/31/60/464223160.db2.gz XYCDFHJHMMWBLQ-YOEHRIQHSA-N 1 0 336.388 2.244 20 5 EEBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000174193959 464374836 /nfs/dbraw/zinc/37/48/36/464374836.db2.gz WVSMKPXEKZQBRN-INIZCTEOSA-N 1 0 349.431 2.340 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264627284 464399605 /nfs/dbraw/zinc/39/96/05/464399605.db2.gz SVDSVBBHRVSAKT-WMLDXEAASA-N 1 0 346.431 2.482 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000238120720 464434102 /nfs/dbraw/zinc/43/41/02/464434102.db2.gz PGNGOPANIJPVFA-CYBMUJFWSA-N 1 0 332.404 2.067 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Cc1ccc(F)cc1 ZINC000174994513 464477462 /nfs/dbraw/zinc/47/74/62/464477462.db2.gz RAAFFXHVFLXLKU-UHFFFAOYSA-N 1 0 347.346 2.301 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000265047909 464508013 /nfs/dbraw/zinc/50/80/13/464508013.db2.gz LBWOWSFCWWFSPT-QWHCGFSZSA-N 1 0 334.424 2.058 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189722321 464542785 /nfs/dbraw/zinc/54/27/85/464542785.db2.gz BGSIFVBWQJANQD-UHFFFAOYSA-N 1 0 336.436 2.498 20 5 EEBDRO C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000272302399 464555864 /nfs/dbraw/zinc/55/58/64/464555864.db2.gz WYLHUMFOJBGQQE-GXTWGEPZSA-N 1 0 344.371 2.156 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281725358 464561414 /nfs/dbraw/zinc/56/14/14/464561414.db2.gz XDYJZINYCRZUSZ-OAHLLOKOSA-N 1 0 349.431 2.472 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccs1 ZINC000175741197 464613985 /nfs/dbraw/zinc/61/39/85/464613985.db2.gz ZZFJQOJLMBHYEF-LBPRGKRZSA-N 1 0 334.401 2.271 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460852 464620706 /nfs/dbraw/zinc/62/07/06/464620706.db2.gz OMHIDUWOJBJADV-WOSRLPQWSA-N 1 0 332.404 2.391 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272481574 464625446 /nfs/dbraw/zinc/62/54/46/464625446.db2.gz GROPDOHPVQFPAO-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCNC1=O ZINC000281913317 464633734 /nfs/dbraw/zinc/63/37/34/464633734.db2.gz RKSVCVMCJWFCMY-AWEZNQCLSA-N 1 0 344.371 2.003 20 5 EEBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285767087 464688133 /nfs/dbraw/zinc/68/81/33/464688133.db2.gz SNSXNIDWJXNQCS-CYBMUJFWSA-N 1 0 349.387 2.464 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000176194962 464717510 /nfs/dbraw/zinc/71/75/10/464717510.db2.gz VCVAUGLDTRHCQY-CQSZACIVSA-N 1 0 344.371 2.400 20 5 EEBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285994058 464767103 /nfs/dbraw/zinc/76/71/03/464767103.db2.gz FYULHEQVNVKPRA-QWRGUYRKSA-N 1 0 335.360 2.430 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282553665 464863497 /nfs/dbraw/zinc/86/34/97/464863497.db2.gz STGXCIGQPJGFMT-SNVBAGLBSA-N 1 0 349.284 2.234 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192122109 464869220 /nfs/dbraw/zinc/86/92/20/464869220.db2.gz SSZMASQWTHZVLE-UKRRQHHQSA-N 1 0 338.314 2.189 20 5 EEBDRO COc1cc(C[N@H+](CCO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000177035613 464913130 /nfs/dbraw/zinc/91/31/30/464913130.db2.gz NJLBJBBQCTVSJT-UHFFFAOYSA-N 1 0 334.319 2.408 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+]C2(C(N)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000177122345 464936890 /nfs/dbraw/zinc/93/68/90/464936890.db2.gz BBZSQBMZNHKLKO-UHFFFAOYSA-N 1 0 348.403 2.010 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128810 464937385 /nfs/dbraw/zinc/93/73/85/464937385.db2.gz UMRKFYMETWLOFH-KOLCDFICSA-N 1 0 348.359 2.166 20 5 EEBDRO CCOC1(C)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298219847 465335798 /nfs/dbraw/zinc/33/57/98/465335798.db2.gz FVCBHGJDBCZXFR-HNNXBMFYSA-N 1 0 338.404 2.226 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc([N+](=O)[O-])c1 ZINC000593912427 468430685 /nfs/dbraw/zinc/43/06/85/468430685.db2.gz NNZZGXDNQLFLNM-LXZKKBNFSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000298311505 465360398 /nfs/dbraw/zinc/36/03/98/465360398.db2.gz YQCBLMHCAWRJOS-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO C[NH+]1CCC(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000337568111 465439876 /nfs/dbraw/zinc/43/98/76/465439876.db2.gz BXXJUEGKRHUBNB-UHFFFAOYSA-N 1 0 330.388 2.008 20 5 EEBDRO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCCC1 ZINC000348211268 465493485 /nfs/dbraw/zinc/49/34/85/465493485.db2.gz RDWPBHZSNBCWDO-AWEZNQCLSA-N 1 0 347.415 2.449 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339765996 465497706 /nfs/dbraw/zinc/49/77/06/465497706.db2.gz ZKPPJVHMYDLGAJ-DLBZAZTESA-N 1 0 336.388 2.013 20 5 EEBDRO Cc1cnccc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579947354 468439274 /nfs/dbraw/zinc/43/92/74/468439274.db2.gz HQMDEGQCUWSYJG-OAHLLOKOSA-N 1 0 327.388 2.422 20 5 EEBDRO C[C@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000298819202 465515435 /nfs/dbraw/zinc/51/54/35/465515435.db2.gz FXWDWPZJCGDXRD-IRXDYDNUSA-N 1 0 333.388 2.471 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCSC1 ZINC000352367523 465520361 /nfs/dbraw/zinc/52/03/61/465520361.db2.gz PMTLRNZFWBEPPX-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cc2ccccc2)n1 ZINC000348277095 465527315 /nfs/dbraw/zinc/52/73/15/465527315.db2.gz FYNCAMNWBWZVPQ-BRWVUGGUSA-N 1 0 344.415 2.468 20 5 EEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000352816614 465558707 /nfs/dbraw/zinc/55/87/07/465558707.db2.gz PPEZAIQXLVSVSC-PWSUYJOCSA-N 1 0 337.401 2.234 20 5 EEBDRO COc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000299106615 465605020 /nfs/dbraw/zinc/60/50/20/465605020.db2.gz WCILHPNGHZGDGN-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO CC(=O)N[C@@]1(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC[NH2+]C1 ZINC000356892760 465606090 /nfs/dbraw/zinc/60/60/90/465606090.db2.gz MASQFLNWANAQJL-HNNXBMFYSA-N 1 0 332.385 2.043 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cs1 ZINC000579973278 468446122 /nfs/dbraw/zinc/44/61/22/468446122.db2.gz XYZSTFBCJLDWOQ-AWEZNQCLSA-N 1 0 325.434 2.343 20 5 EEBDRO Cc1n[nH]c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299454413 465756533 /nfs/dbraw/zinc/75/65/33/465756533.db2.gz UUZSKTLPWHCASJ-TXEJJXNPSA-N 1 0 337.424 2.114 20 5 EEBDRO CC(C)(NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000362551806 465822470 /nfs/dbraw/zinc/82/24/70/465822470.db2.gz JJPKYHRHFUITBC-NSHDSACASA-N 1 0 343.387 2.060 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1[N+](=O)[O-] ZINC000361195952 465828519 /nfs/dbraw/zinc/82/85/19/465828519.db2.gz PTAFHLMTYJWTJI-UHFFFAOYSA-N 1 0 331.376 2.259 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371517242 465852129 /nfs/dbraw/zinc/85/21/29/465852129.db2.gz NMSXETMXBHEUBR-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000299714190 465866838 /nfs/dbraw/zinc/86/68/38/465866838.db2.gz QYXHBJLEDCXJFJ-UHFFFAOYSA-N 1 0 335.404 2.406 20 5 EEBDRO NC(=O)c1ccc(C[N@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000362604657 465875534 /nfs/dbraw/zinc/87/55/34/465875534.db2.gz VWBOAEJGGYVAIB-UHFFFAOYSA-N 1 0 335.404 2.068 20 5 EEBDRO Cn1ccnc1[C@H](NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353440062 465884898 /nfs/dbraw/zinc/88/48/98/465884898.db2.gz YTJGNDQYFKIIGO-MRXNPFEDSA-N 1 0 329.404 2.103 20 5 EEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000331166829 465964056 /nfs/dbraw/zinc/96/40/56/465964056.db2.gz STGFCQHUDCJTSK-HNNXBMFYSA-N 1 0 335.404 2.324 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000366884736 465995492 /nfs/dbraw/zinc/99/54/92/465995492.db2.gz OHIBZRWAPJMGBQ-HFTRVMKXSA-N 1 0 344.415 2.420 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338349884 466050219 /nfs/dbraw/zinc/05/02/19/466050219.db2.gz OVYNKEBXQUSKKF-UHFFFAOYSA-N 1 0 328.372 2.493 20 5 EEBDRO C[NH+](C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000362819558 466050434 /nfs/dbraw/zinc/05/04/34/466050434.db2.gz GDQKUNSNSOFEKO-CYBMUJFWSA-N 1 0 343.343 2.953 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000302142833 466103462 /nfs/dbraw/zinc/10/34/62/466103462.db2.gz FUTQBLCKLJUSKJ-LLVKDONJSA-N 1 0 344.362 2.244 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578259 468485882 /nfs/dbraw/zinc/48/58/82/468485882.db2.gz HVOUMQJVLWXTRC-GOEBONIOSA-N 1 0 329.404 2.149 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC000367699076 466498977 /nfs/dbraw/zinc/49/89/77/466498977.db2.gz PGYWBDDHXNSRBU-AWEZNQCLSA-N 1 0 345.403 2.096 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000358195158 466532148 /nfs/dbraw/zinc/53/21/48/466532148.db2.gz CHDIPWIZEIXGAD-CZUORRHYSA-N 1 0 347.415 2.334 20 5 EEBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1CO ZINC000362080745 466539385 /nfs/dbraw/zinc/53/93/85/466539385.db2.gz YLUHSULHOYRFIH-GXTWGEPZSA-N 1 0 331.372 2.353 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354416822 466552117 /nfs/dbraw/zinc/55/21/17/466552117.db2.gz DGGRNNFQQUEGFD-HIFRSBDPSA-N 1 0 335.404 2.305 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000354421764 466555453 /nfs/dbraw/zinc/55/54/53/466555453.db2.gz GXYQHUBJRKZAJC-NEPJUHHUSA-N 1 0 345.403 2.416 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000320068947 466603495 /nfs/dbraw/zinc/60/34/95/466603495.db2.gz JZDDFTGYUVHYOP-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000322380661 466631892 /nfs/dbraw/zinc/63/18/92/466631892.db2.gz NBHBKRJTTCSQSE-NXEZZACHSA-N 1 0 325.315 2.230 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205239 466696395 /nfs/dbraw/zinc/69/63/95/466696395.db2.gz DZNFVZOGRLLSDW-CJNGLKHVSA-N 1 0 329.404 2.007 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423698934 466807444 /nfs/dbraw/zinc/80/74/44/466807444.db2.gz OLIOUALNHFAISW-RISCZKNCSA-N 1 0 349.387 2.019 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000373462115 466811629 /nfs/dbraw/zinc/81/16/29/466811629.db2.gz YGERPJFVBWNYPJ-ZBFHGGJFSA-N 1 0 343.431 2.329 20 5 EEBDRO C[C@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375697019 466864995 /nfs/dbraw/zinc/86/49/95/466864995.db2.gz JUZZGDSLVBISAY-LBPRGKRZSA-N 1 0 333.388 2.471 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417714485 466915565 /nfs/dbraw/zinc/91/55/65/466915565.db2.gz HPECYHSVSMNDPO-UONOGXRCSA-N 1 0 334.420 2.309 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000373811708 466928422 /nfs/dbraw/zinc/92/84/22/466928422.db2.gz FVKHJVCMHNSSEJ-WMLDXEAASA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424017051 466953496 /nfs/dbraw/zinc/95/34/96/466953496.db2.gz ONIJIFWZCUKCDK-KBPBESRZSA-N 1 0 334.420 2.230 20 5 EEBDRO [NH3+]C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000417945215 466997715 /nfs/dbraw/zinc/99/77/15/466997715.db2.gz QJUACNKNCKGJOS-INIZCTEOSA-N 1 0 334.420 2.344 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370901150 467036984 /nfs/dbraw/zinc/03/69/84/467036984.db2.gz WAXKVIQNDXNNRM-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000377576153 467089997 /nfs/dbraw/zinc/08/99/97/467089997.db2.gz WUNYXLRSDLYPLT-CYBMUJFWSA-N 1 0 333.388 2.350 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377636846 467102969 /nfs/dbraw/zinc/10/29/69/467102969.db2.gz LLZVNRFOCQRYHN-HNNXBMFYSA-N 1 0 346.431 2.408 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418708503 467149104 /nfs/dbraw/zinc/14/91/04/467149104.db2.gz CKENBMCPKANPIN-GJZGRUSLSA-N 1 0 334.420 2.296 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CCC[N@H+]3CCCO)c2c1 ZINC000413329628 467218466 /nfs/dbraw/zinc/21/84/66/467218466.db2.gz OKWKCABWLZKMIR-OAHLLOKOSA-N 1 0 330.388 2.402 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451430555 467256678 /nfs/dbraw/zinc/25/66/78/467256678.db2.gz XZFPTTFOROLVJZ-LZWOXQAQSA-N 1 0 347.415 2.467 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420003118 467284528 /nfs/dbraw/zinc/28/45/28/467284528.db2.gz UPDSJKDSKOATAN-KRWDZBQOSA-N 1 0 337.420 2.151 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345415 467371744 /nfs/dbraw/zinc/37/17/44/467371744.db2.gz WEKISPLXYIQDSD-DYVFJYSZSA-N 1 0 346.431 2.386 20 5 EEBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000414367408 467406373 /nfs/dbraw/zinc/40/63/73/467406373.db2.gz QMRQXYQRRBCEGX-UHFFFAOYSA-N 1 0 340.426 2.392 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430195221 467407568 /nfs/dbraw/zinc/40/75/68/467407568.db2.gz NLTQIPNTAZSDMF-CQSZACIVSA-N 1 0 334.372 2.379 20 5 EEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000430277854 467416771 /nfs/dbraw/zinc/41/67/71/467416771.db2.gz NZZYNUMSNWCAPR-KRWDZBQOSA-N 1 0 344.371 2.208 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435230964 467452744 /nfs/dbraw/zinc/45/27/44/467452744.db2.gz SIGDAHQEHZGQGX-OAHLLOKOSA-N 1 0 332.404 2.058 20 5 EEBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000435379713 467464664 /nfs/dbraw/zinc/46/46/64/467464664.db2.gz KHRAZUHEADHADO-LRDDRELGSA-N 1 0 329.404 2.164 20 5 EEBDRO [NH3+]CC1(O)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000415141330 467498967 /nfs/dbraw/zinc/49/89/67/467498967.db2.gz MWGNYKUOIBWWIT-UHFFFAOYSA-N 1 0 348.428 2.004 20 5 EEBDRO [NH3+]C1CCC(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000449177324 467622211 /nfs/dbraw/zinc/62/22/11/467622211.db2.gz SCCDYNFFTCFWQU-UHFFFAOYSA-N 1 0 347.415 2.372 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449195226 467622912 /nfs/dbraw/zinc/62/29/12/467622912.db2.gz QEWZEKPLZVUSCD-SFHVURJKSA-N 1 0 325.368 2.142 20 5 EEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000449245361 467625767 /nfs/dbraw/zinc/62/57/67/467625767.db2.gz AHPPVMJJWGGODC-ZDUSSCGKSA-N 1 0 337.376 2.344 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000449340312 467632210 /nfs/dbraw/zinc/63/22/10/467632210.db2.gz NWJZKDSLJYPGPP-JGGQBBKZSA-N 1 0 340.445 2.471 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449585029 467666644 /nfs/dbraw/zinc/66/66/44/467666644.db2.gz KMGAKSZZZJKQJD-STQMWFEESA-N 1 0 345.403 2.266 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449720922 467699478 /nfs/dbraw/zinc/69/94/78/467699478.db2.gz TVDZHHIPQVFGDF-CABCVRRESA-N 1 0 349.434 2.398 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c2ccncc21 ZINC000450597593 467877385 /nfs/dbraw/zinc/87/73/85/467877385.db2.gz PGJNRKMROIBWQE-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1F ZINC000450626551 467881954 /nfs/dbraw/zinc/88/19/54/467881954.db2.gz SBSZHPBKXBGEQI-UHFFFAOYSA-N 1 0 337.351 2.124 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)n1 ZINC000488783818 468104712 /nfs/dbraw/zinc/10/47/12/468104712.db2.gz OPKIWRMEFRQZDG-XMMPIXPASA-N 1 0 348.428 2.236 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000489326170 468127829 /nfs/dbraw/zinc/12/78/29/468127829.db2.gz QXVAUSBHPXJLKC-QGZVFWFLSA-N 1 0 344.415 2.417 20 5 EEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000519549348 468170413 /nfs/dbraw/zinc/17/04/13/468170413.db2.gz KXMYKOUKLZDYDY-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183022 468175359 /nfs/dbraw/zinc/17/53/59/468175359.db2.gz CUGXSOZLWLEUMM-CYBMUJFWSA-N 1 0 335.408 2.092 20 5 EEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195321 468508771 /nfs/dbraw/zinc/50/87/71/468508771.db2.gz FNZGYIOGDOVTAV-STQMWFEESA-N 1 0 347.371 2.070 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594200394 468510218 /nfs/dbraw/zinc/51/02/18/468510218.db2.gz LSDWZZMCLQUUMR-GJZGRUSLSA-N 1 0 347.415 2.497 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201690 468511303 /nfs/dbraw/zinc/51/13/03/468511303.db2.gz PGPZXFMAUZPWKO-CHWSQXEVSA-N 1 0 347.371 2.070 20 5 EEBDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000591744580 468512753 /nfs/dbraw/zinc/51/27/53/468512753.db2.gz CGBXXLBTANQULT-GOSISDBHSA-N 1 0 343.427 2.220 20 5 EEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000591769548 468518651 /nfs/dbraw/zinc/51/86/51/468518651.db2.gz RMEVXAUOKBWLDY-OAHLLOKOSA-N 1 0 345.399 2.297 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000600310104 468529061 /nfs/dbraw/zinc/52/90/61/468529061.db2.gz GLAAKQBMAOBLTN-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000569715920 468532548 /nfs/dbraw/zinc/53/25/48/468532548.db2.gz VAUHDVACWYUJLV-KRWDZBQOSA-N 1 0 330.384 2.305 20 5 EEBDRO Cc1ccc(C2(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c(C)c1 ZINC000583199364 468660042 /nfs/dbraw/zinc/66/00/42/468660042.db2.gz MIGHJNJLVOELKP-INIZCTEOSA-N 1 0 344.415 2.090 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000592477475 468706165 /nfs/dbraw/zinc/70/61/65/468706165.db2.gz XQXPLUUTUQFRJM-NHYWBVRUSA-N 1 0 335.404 2.081 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592485598 468708475 /nfs/dbraw/zinc/70/84/75/468708475.db2.gz IZODOZMCEGKLRZ-PWSUYJOCSA-N 1 0 340.811 2.246 20 5 EEBDRO COCc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000559282001 468736583 /nfs/dbraw/zinc/73/65/83/468736583.db2.gz DBYZKZLNZGPHTO-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO [NH3+]C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595263346 468796504 /nfs/dbraw/zinc/79/65/04/468796504.db2.gz VCZHTRHDSMSDIA-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560525324 468826143 /nfs/dbraw/zinc/82/61/43/468826143.db2.gz LZFITZFJIAQKTH-RHSMWYFYSA-N 1 0 343.431 2.349 20 5 EEBDRO Cc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584346117 468850518 /nfs/dbraw/zinc/85/05/18/468850518.db2.gz SHERUOFLDBNAHH-OAHLLOKOSA-N 1 0 332.404 2.028 20 5 EEBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000593153629 468888730 /nfs/dbraw/zinc/88/87/30/468888730.db2.gz QJKNCTSUHVDRAA-YIONKMFJSA-N 1 0 335.379 2.360 20 5 EEBDRO CC[N@@H+]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536881 468892657 /nfs/dbraw/zinc/89/26/57/468892657.db2.gz WFWIRYYJTZDMJQ-CQSZACIVSA-N 1 0 337.420 2.398 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[NH2+]1 ZINC000598574514 468919344 /nfs/dbraw/zinc/91/93/44/468919344.db2.gz RHESLYBUTROFAE-INIZCTEOSA-N 1 0 343.387 2.055 20 5 EEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000598669706 468952895 /nfs/dbraw/zinc/95/28/95/468952895.db2.gz NLQFNNYTHVIDRJ-GUYCJALGSA-N 1 0 332.404 2.127 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595806977 469020490 /nfs/dbraw/zinc/02/04/90/469020490.db2.gz NTMILIUDRVLJEG-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000610719162 469049121 /nfs/dbraw/zinc/04/91/21/469049121.db2.gz DGQKIFBYSUESFV-CQSZACIVSA-N 1 0 349.435 2.180 20 5 EEBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H]1CC1(C)C ZINC000595913743 469081215 /nfs/dbraw/zinc/08/12/15/469081215.db2.gz URFYNIVFOCQNFS-JTQLQIEISA-N 1 0 335.360 2.240 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000602803142 469086372 /nfs/dbraw/zinc/08/63/72/469086372.db2.gz XFJHGQHGRIMKEJ-UHFFFAOYSA-N 1 0 332.404 2.373 20 5 EEBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602818703 469095585 /nfs/dbraw/zinc/09/55/85/469095585.db2.gz NOPVDMRMDVHBSZ-INIZCTEOSA-N 1 0 338.408 2.011 20 5 EEBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596092420 469152375 /nfs/dbraw/zinc/15/23/75/469152375.db2.gz VNTKUSDKBDZJLS-CYBMUJFWSA-N 1 0 333.388 2.349 20 5 EEBDRO CCOCC(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573558761 469159846 /nfs/dbraw/zinc/15/98/46/469159846.db2.gz WEUHOXSDNGAUGL-UHFFFAOYSA-N 1 0 344.433 2.021 20 5 EEBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596176879 469187812 /nfs/dbraw/zinc/18/78/12/469187812.db2.gz KQHIJVJJRRUFEW-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO CCOc1cc(NCCC[N@@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000611296896 469223310 /nfs/dbraw/zinc/22/33/10/469223310.db2.gz QWNVGCUAURNCKK-UHFFFAOYSA-N 1 0 336.436 2.433 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602487013 469336855 /nfs/dbraw/zinc/33/68/55/469336855.db2.gz YGEZTABBXQSATQ-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602490370 469338637 /nfs/dbraw/zinc/33/86/37/469338637.db2.gz UHAQECBDTXCZQD-ZDUSSCGKSA-N 1 0 342.193 2.168 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc(O)cc3)CC2)cn1 ZINC000602526567 469349398 /nfs/dbraw/zinc/34/93/98/469349398.db2.gz DOVKTUXYYITGNL-UHFFFAOYSA-N 1 0 342.399 2.497 20 5 EEBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000602553193 469358917 /nfs/dbraw/zinc/35/89/17/469358917.db2.gz AXMCTZZKXPXYHN-UAGQMJEPSA-N 1 0 346.431 2.362 20 5 EEBDRO C[C@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000602554645 469358985 /nfs/dbraw/zinc/35/89/85/469358985.db2.gz NBRQZLULKGNWDF-DZGCQCFKSA-N 1 0 346.431 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCN(c4ccccn4)C3)nc2c1 ZINC000602575438 469366177 /nfs/dbraw/zinc/36/61/77/469366177.db2.gz HVUVHAPXHGLIMJ-LBPRGKRZSA-N 1 0 339.355 2.500 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CSCC[NH2+]1 ZINC000603419887 469389013 /nfs/dbraw/zinc/38/90/13/469389013.db2.gz QOGRROYOLLQERK-VIFPVBQESA-N 1 0 332.223 2.474 20 5 EEBDRO CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000618759960 469439696 /nfs/dbraw/zinc/43/96/96/469439696.db2.gz BBWZNVXLADNIJV-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000609131383 469893433 /nfs/dbraw/zinc/89/34/33/469893433.db2.gz ZSMTXSAXAABSGM-UHFFFAOYSA-N 1 0 344.415 2.446 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(O)(CO)CC2)o1 ZINC000597206684 485616109 /nfs/dbraw/zinc/61/61/09/485616109.db2.gz QSXTWOUUVLBLSK-UHFFFAOYSA-N 1 0 332.356 2.174 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430595632 485703676 /nfs/dbraw/zinc/70/36/76/485703676.db2.gz VFUVPOYGSRLUFW-CJNGLKHVSA-N 1 0 334.420 2.434 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000182177072 527294105 /nfs/dbraw/zinc/29/41/05/527294105.db2.gz UTIOOHCYPUYEIP-LLVKDONJSA-N 1 0 337.401 2.316 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000174507398 527813563 /nfs/dbraw/zinc/81/35/63/527813563.db2.gz LVTMGYIDUUFZHF-ZDUSSCGKSA-N 1 0 334.420 2.075 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451776061 535546517 /nfs/dbraw/zinc/54/65/17/535546517.db2.gz SUHQZAGBALFULF-GLQYFDAESA-N 1 0 349.387 2.243 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000265003745 535693534 /nfs/dbraw/zinc/69/35/34/535693534.db2.gz FICVHYCUIBJQQQ-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425052593 536488210 /nfs/dbraw/zinc/48/82/10/536488210.db2.gz WAWARNOAQKHDER-SUMWQHHRSA-N 1 0 344.415 2.335 20 5 EEBDRO CCn1cnnc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773012616 577310404 /nfs/dbraw/zinc/31/04/04/577310404.db2.gz WRJNNIBYVFTEDO-UHFFFAOYSA-N 1 0 344.419 2.007 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cccc1[N+](=O)[O-] ZINC000773064153 577313652 /nfs/dbraw/zinc/31/36/52/577313652.db2.gz FAPZOECKNWFINH-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO CNC(=O)CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774637463 577408078 /nfs/dbraw/zinc/40/80/78/577408078.db2.gz BSWGPNJZVCQCGB-UHFFFAOYSA-N 1 0 339.783 2.013 20 5 EEBDRO COC(=O)C[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000766892243 577526577 /nfs/dbraw/zinc/52/65/77/577526577.db2.gz FTCSWYWNGAZXJG-LBPRGKRZSA-N 1 0 326.324 2.174 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000758184498 577617861 /nfs/dbraw/zinc/61/78/61/577617861.db2.gz DLSPKWGKSVDQPY-ROUUACIJSA-N 1 0 330.384 2.212 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000760459029 577663193 /nfs/dbraw/zinc/66/31/93/577663193.db2.gz OFPKIIBAXQDYKO-UHFFFAOYSA-N 1 0 338.433 2.232 20 5 EEBDRO COc1ccc(NC(=S)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000760501098 577664272 /nfs/dbraw/zinc/66/42/72/577664272.db2.gz IPQPJJDVYJGJJO-UHFFFAOYSA-N 1 0 338.433 2.232 20 5 EEBDRO C[S@](=O)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159347 577801444 /nfs/dbraw/zinc/80/14/44/577801444.db2.gz MFGGIESSBBRGFM-KCYKTTMJSA-N 1 0 348.424 2.338 20 5 EEBDRO COc1ccc(OCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749663414 577979566 /nfs/dbraw/zinc/97/95/66/577979566.db2.gz FBNDPBJUEKYSCS-QGZVFWFLSA-N 1 0 332.356 2.305 20 5 EEBDRO CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750031755 577985926 /nfs/dbraw/zinc/98/59/26/577985926.db2.gz BETDESZPRHPGGX-QGZVFWFLSA-N 1 0 349.431 2.112 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCCO)CC3)ccc2c1 ZINC000750180118 577988537 /nfs/dbraw/zinc/98/85/37/577988537.db2.gz LRIINJTWGYALCM-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736350495 578198284 /nfs/dbraw/zinc/19/82/84/578198284.db2.gz OFSJUDQNDRCEHU-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262219092 676403249 /nfs/dbraw/zinc/40/32/49/676403249.db2.gz MMVKYNNTMBYYKV-MRXNPFEDSA-N 1 0 346.431 2.022 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC001021887605 676536277 /nfs/dbraw/zinc/53/62/77/676536277.db2.gz VYSNMYVSEMIHKA-BETUJISGSA-N 1 0 337.401 2.087 20 5 EEBDRO COc1ccc(CNC(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000891398607 676561003 /nfs/dbraw/zinc/56/10/03/676561003.db2.gz JWMVJTRYMWBJCB-UHFFFAOYSA-N 1 0 348.403 2.031 20 5 EEBDRO C[C@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934042668 677767223 /nfs/dbraw/zinc/76/72/23/677767223.db2.gz GXBJEPJKNDUDPH-ZDUSSCGKSA-N 1 0 347.419 2.220 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]1 ZINC000841104294 681359969 /nfs/dbraw/zinc/35/99/69/681359969.db2.gz XDEDZVLNLPWHMK-AWEZNQCLSA-N 1 0 342.783 2.138 20 5 EEBDRO Cn1nc2c(c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-])COCC2 ZINC000894391719 682788036 /nfs/dbraw/zinc/78/80/36/682788036.db2.gz RNGAWNSFQYREES-UHFFFAOYSA-N 1 0 330.388 2.076 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892713266 682827247 /nfs/dbraw/zinc/82/72/47/682827247.db2.gz DLPPABUQXYYSJR-LBPRGKRZSA-N 1 0 330.388 2.343 20 5 EEBDRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892902819 683181787 /nfs/dbraw/zinc/18/17/87/683181787.db2.gz UQXFDLKQZYEERJ-KGLIPLIRSA-N 1 0 334.420 2.339 20 5 EEBDRO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)c1 ZINC001025960009 683688382 /nfs/dbraw/zinc/68/83/82/683688382.db2.gz JRQMJQICSVSEEJ-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO CS[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000893247913 684261246 /nfs/dbraw/zinc/26/12/46/684261246.db2.gz JWRULNLZUQXEAI-CHWSQXEVSA-N 1 0 349.416 2.147 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000893248397 684261544 /nfs/dbraw/zinc/26/15/44/684261544.db2.gz MSXQHDBIGSXTJK-UHFFFAOYSA-N 1 0 332.809 2.163 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000895280383 684425025 /nfs/dbraw/zinc/42/50/25/684425025.db2.gz SXLRMIHLMBBECE-ZDUSSCGKSA-N 1 0 326.356 2.341 20 5 EEBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000312875437 685212555 /nfs/dbraw/zinc/21/25/55/685212555.db2.gz HELUMUQXJIJZKA-UHFFFAOYSA-N 1 0 344.209 2.362 20 5 EEBDRO Cc1conc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000985009594 685673897 /nfs/dbraw/zinc/67/38/97/685673897.db2.gz HYHNFQJHNBMIHP-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(c1cncs1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990066516 692622623 /nfs/dbraw/zinc/62/26/23/692622623.db2.gz JNIKPNMVHZTQPU-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000898632361 693406228 /nfs/dbraw/zinc/40/62/28/693406228.db2.gz ILYWGXJRJLRHKF-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc2c1OCC2 ZINC000905616409 1189820466 /nfs/dbraw/zinc/82/04/66/1189820466.db2.gz IIPRXENVCVXDKJ-OAHLLOKOSA-N 1 0 344.367 2.059 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)NCc1cccnc1 ZINC000873026409 1198477424 /nfs/dbraw/zinc/47/74/24/1198477424.db2.gz KANUPYMYXIARDD-UHFFFAOYSA-N 1 0 342.399 2.403 20 5 EEBDRO C[NH+](C)CCc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825675361 1198562020 /nfs/dbraw/zinc/56/20/20/1198562020.db2.gz GJTNCBWKYJTGOP-QGZVFWFLSA-N 1 0 343.383 2.371 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000814484252 1199533231 /nfs/dbraw/zinc/53/32/31/1199533231.db2.gz WHUYFDVOPIALKQ-UHFFFAOYSA-N 1 0 327.356 2.299 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000876999159 1199840213 /nfs/dbraw/zinc/84/02/13/1199840213.db2.gz WYKCVFUPTLTEHA-CQSZACIVSA-N 1 0 343.786 2.386 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000795077933 1200080952 /nfs/dbraw/zinc/08/09/52/1200080952.db2.gz RJYHZAZFLQYBBR-AWEZNQCLSA-N 1 0 337.424 2.175 20 5 EEBDRO O=C(C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000879529362 1201125839 /nfs/dbraw/zinc/12/58/39/1201125839.db2.gz WSXOUZFVUFQBDN-TXEJJXNPSA-N 1 0 345.355 2.160 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879962922 1201326943 /nfs/dbraw/zinc/32/69/43/1201326943.db2.gz RTOXWBJICZEBTA-CYBMUJFWSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000880248701 1201435402 /nfs/dbraw/zinc/43/54/02/1201435402.db2.gz XNDLFUHYNAJNJF-OAHLLOKOSA-N 1 0 329.404 2.170 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCOCC1 ZINC000866266084 1201480453 /nfs/dbraw/zinc/48/04/53/1201480453.db2.gz ALHPXRHGKZKHAQ-CYBMUJFWSA-N 1 0 339.411 2.365 20 5 EEBDRO COC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866309120 1201489765 /nfs/dbraw/zinc/48/97/65/1201489765.db2.gz LTQJDGKHWBMFJZ-LBPRGKRZSA-N 1 0 326.368 2.450 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCCS(C)(=O)=O ZINC000866344324 1201496660 /nfs/dbraw/zinc/49/66/60/1201496660.db2.gz VRONPCQUIIRPIQ-LBPRGKRZSA-N 1 0 346.424 2.469 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(O)CCOCC1 ZINC000866357082 1201499286 /nfs/dbraw/zinc/49/92/86/1201499286.db2.gz GQDLKTCCZKSCBG-GFCCVEGCSA-N 1 0 326.368 2.186 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000866382983 1201504809 /nfs/dbraw/zinc/50/48/09/1201504809.db2.gz BELWYKVFRHKQQN-NEPJUHHUSA-N 1 0 335.379 2.265 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866514183 1201537003 /nfs/dbraw/zinc/53/70/03/1201537003.db2.gz VMVNKFAQZHTDCQ-CYBMUJFWSA-N 1 0 337.395 2.371 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000867832228 1201689938 /nfs/dbraw/zinc/68/99/38/1201689938.db2.gz JVTVZPWXRULRHK-CQSZACIVSA-N 1 0 335.379 2.410 20 5 EEBDRO COc1ccc2c(c1)CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C2 ZINC000867983057 1201720250 /nfs/dbraw/zinc/72/02/50/1201720250.db2.gz IVMFGPLOTHPPBK-GOSISDBHSA-N 1 0 341.367 2.320 20 5 EEBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000882810576 1201948690 /nfs/dbraw/zinc/94/86/90/1201948690.db2.gz WJKLQOZRTXLOBN-ZDUSSCGKSA-N 1 0 327.388 2.455 20 5 EEBDRO CN(CCCNC(=O)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095569986 1205877962 /nfs/dbraw/zinc/87/79/62/1205877962.db2.gz NYFOCVOFPCVRDV-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO CC1CC[NH+](CC(=O)NCCCN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001095619415 1205893424 /nfs/dbraw/zinc/89/34/24/1205893424.db2.gz WBZNVEODXTXHGN-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000931039176 1206602168 /nfs/dbraw/zinc/60/21/68/1206602168.db2.gz OQHWFJIUUSUGBQ-RISCZKNCSA-N 1 0 331.376 2.169 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956287 1206608224 /nfs/dbraw/zinc/60/82/24/1206608224.db2.gz DIKLQRZMYBBONP-CQSZACIVSA-N 1 0 329.404 2.299 20 5 EEBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001111309124 1210105611 /nfs/dbraw/zinc/10/56/11/1210105611.db2.gz FLKWZGNKTSGRNF-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC(C)[NH+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000119361360 1229495528 /nfs/dbraw/zinc/49/55/28/1229495528.db2.gz RGTDAJXOFCPTFH-UHFFFAOYSA-N 1 0 335.451 2.053 20 5 EEBDRO Cc1noc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC001020273655 1229595760 /nfs/dbraw/zinc/59/57/60/1229595760.db2.gz AWSQCCCNIAALGC-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1F ZINC000801510584 1235743054 /nfs/dbraw/zinc/74/30/54/1235743054.db2.gz YODBZTNCDXMBDK-OAHLLOKOSA-N 1 0 337.395 2.421 20 5 EEBDRO O=C(NCc1ccc(C[NH2+]CC2CCCC2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001522723 1242430071 /nfs/dbraw/zinc/43/00/71/1242430071.db2.gz HKPYXGLENCREBP-NVXWUHKLSA-N 1 0 349.406 2.387 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001050326372 1243353448 /nfs/dbraw/zinc/35/34/48/1243353448.db2.gz ZLZGKDAANZZJEM-BRSBDYLESA-N 1 0 345.443 2.425 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)c1occc1C[NH+](C)C ZINC001101917395 1246248669 /nfs/dbraw/zinc/24/86/69/1246248669.db2.gz JPGDZYPSOJSMDD-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)C(=O)OC)cc1[N+](=O)[O-] ZINC000850548385 1277263778 /nfs/dbraw/zinc/26/37/78/1277263778.db2.gz PVVKVVGOKYPSBJ-LLVKDONJSA-N 1 0 325.365 2.342 20 5 EEBDRO Nc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000850720359 1277313752 /nfs/dbraw/zinc/31/37/52/1277313752.db2.gz AQKKIRSRAYULJW-CQSZACIVSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000852868633 1292221948 /nfs/dbraw/zinc/22/19/48/1292221948.db2.gz TVYDLPCLUUWCAG-GFCCVEGCSA-N 1 0 338.364 2.223 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000854738312 1292934665 /nfs/dbraw/zinc/93/46/65/1292934665.db2.gz ZKNWCYRSEWLPGL-MRXNPFEDSA-N 1 0 348.359 2.061 20 5 EEBDRO O=C(c1ccc[nH]1)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072463533 1295697335 /nfs/dbraw/zinc/69/73/35/1295697335.db2.gz KTYLLDVNKGDFRU-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO O=C(c1ccc[nH]1)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072463858 1295700988 /nfs/dbraw/zinc/70/09/88/1295700988.db2.gz ZWXWWSYOSDUEEC-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC000931345540 1297148617 /nfs/dbraw/zinc/14/86/17/1297148617.db2.gz SFQBKCUXFNHODM-HZPDHXFCSA-N 1 0 343.387 2.095 20 5 EEBDRO O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218284160 1297621109 /nfs/dbraw/zinc/62/11/09/1297621109.db2.gz VPUQIUJMZVTYLS-JTQLQIEISA-N 1 0 348.384 2.434 20 5 EEBDRO COC(=O)[C@@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC001223641589 1300205934 /nfs/dbraw/zinc/20/59/34/1300205934.db2.gz BILXUGWMUVCHMW-VLXAULBPSA-N 1 0 334.372 2.451 20 5 EEBDRO CCCOCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226429473 1301407453 /nfs/dbraw/zinc/40/74/53/1301407453.db2.gz JFZSJGOCTAWKPZ-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO COc1cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001226579037 1301468420 /nfs/dbraw/zinc/46/84/20/1301468420.db2.gz MVESNRMPINJRKB-BETUJISGSA-N 1 0 337.376 2.021 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC2CCN(CCF)CC2)c1 ZINC001227043933 1301662326 /nfs/dbraw/zinc/66/23/26/1301662326.db2.gz JJVKGHUMCOPDEC-UHFFFAOYSA-N 1 0 326.324 2.194 20 5 EEBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)c(C(N)=O)cc1-c1ccncc1 ZINC001227264850 1301755463 /nfs/dbraw/zinc/75/54/63/1301755463.db2.gz XJVGZJXTEGTGRX-GFCCVEGCSA-O 1 0 329.424 2.024 20 5 EEBDRO COCC[NH+]1CCC(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233745152 1304575605 /nfs/dbraw/zinc/57/56/05/1304575605.db2.gz KVDCGCRXHZIWLN-UHFFFAOYSA-N 1 0 349.309 2.498 20 5 EEBDRO COc1ccc(C[C@H](C)N2CCC(F)(F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558104 1310341775 /nfs/dbraw/zinc/34/17/75/1310341775.db2.gz ONTZVPKFAXOLCV-AAEUAGOBSA-N 1 0 343.374 2.450 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1F ZINC001246561938 1310342438 /nfs/dbraw/zinc/34/24/38/1310342438.db2.gz HHAOUSPJNAJCFM-WZRBSPASSA-N 1 0 325.384 2.343 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC001123358747 1310537415 /nfs/dbraw/zinc/53/74/15/1310537415.db2.gz AXJJYEQYCVALPZ-KBPBESRZSA-N 1 0 338.433 2.413 20 5 EEBDRO Cc1nn(CCC(=O)O[C@H](C)CC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC001123366809 1310538799 /nfs/dbraw/zinc/53/87/99/1310538799.db2.gz KLVMTHSOUCTSKZ-GFCCVEGCSA-N 1 0 338.408 2.216 20 5 EEBDRO Cc1cncc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248214506 1310864130 /nfs/dbraw/zinc/86/41/30/1310864130.db2.gz PAIYEKWCIFCHER-CQSZACIVSA-N 1 0 339.355 2.461 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162850163 1320973809 /nfs/dbraw/zinc/97/38/09/1320973809.db2.gz QQMURVJFFNVQQY-LBPRGKRZSA-N 1 0 327.340 2.403 20 5 EEBDRO C[NH+](C)CCNC(=S)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840803485 1315413873 /nfs/dbraw/zinc/41/38/73/1315413873.db2.gz QMNMKBVTRHVWNZ-AWEZNQCLSA-N 1 0 336.461 2.210 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855779 1315624276 /nfs/dbraw/zinc/62/42/76/1315624276.db2.gz MOEHSHZTSCEXSR-UHFFFAOYSA-N 1 0 328.800 2.375 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000843064749 1315833685 /nfs/dbraw/zinc/83/36/85/1315833685.db2.gz BSALSXAZTCOYKH-CRAIPNDOSA-N 1 0 330.384 2.069 20 5 EEBDRO O=[N+]([O-])c1ccc(OCc2nc(CC3CC[NH2+]CC3)no2)cc1F ZINC000843133731 1315851761 /nfs/dbraw/zinc/85/17/61/1315851761.db2.gz VFYCCPJQBQQGKB-UHFFFAOYSA-N 1 0 336.323 2.238 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc(C4CC[NH2+]CC4)no3)cn2)cc1 ZINC000843138524 1315853094 /nfs/dbraw/zinc/85/30/94/1315853094.db2.gz WQNWDQWSTFEBSW-UHFFFAOYSA-N 1 0 340.343 2.298 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843348803 1315895897 /nfs/dbraw/zinc/89/58/97/1315895897.db2.gz ZIFYQZSTYHOWKY-PWSUYJOCSA-N 1 0 336.348 2.059 20 5 EEBDRO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[NH2+]C1 ZINC000843349271 1315896334 /nfs/dbraw/zinc/89/63/34/1315896334.db2.gz QHTAGFHETCBRDO-CYBMUJFWSA-N 1 0 338.383 2.136 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000843505612 1315925370 /nfs/dbraw/zinc/92/53/70/1315925370.db2.gz DTHUKXDBQRCCKV-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001154678767 1317262241 /nfs/dbraw/zinc/26/22/41/1317262241.db2.gz BMEXUZHTIXBCNB-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001154729229 1317284345 /nfs/dbraw/zinc/28/43/45/1317284345.db2.gz CTVLRKKWZYDQTB-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CC(C)OCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154842332 1317344311 /nfs/dbraw/zinc/34/43/11/1317344311.db2.gz BSZUMWAJFMKCOF-UHFFFAOYSA-N 1 0 329.422 2.067 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1-n1cncc1C1CC[NH2+]CC1 ZINC001155054359 1317435916 /nfs/dbraw/zinc/43/59/16/1317435916.db2.gz WRYUNSBNQUVJHB-UHFFFAOYSA-N 1 0 343.174 2.344 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155461729 1317606597 /nfs/dbraw/zinc/60/65/97/1317606597.db2.gz LZCKDXYREPSQEC-QMMMGPOBSA-N 1 0 333.175 2.087 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155562442 1317653616 /nfs/dbraw/zinc/65/36/16/1317653616.db2.gz UMQBKQVUVPLHTL-QMMMGPOBSA-N 1 0 326.765 2.200 20 5 EEBDRO COc1cc(NCc2cccnc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155994633 1317821799 /nfs/dbraw/zinc/82/17/99/1317821799.db2.gz CTBDEPXIYJAALT-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO CC(C)(C)[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001253304529 1317823974 /nfs/dbraw/zinc/82/39/74/1317823974.db2.gz YZQDJAWMGSUUCM-INIZCTEOSA-N 1 0 346.431 2.116 20 5 EEBDRO COC(=O)C12CC([NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)(C1)C2 ZINC001254465256 1318081597 /nfs/dbraw/zinc/08/15/97/1318081597.db2.gz VXNMNCMPJYMUNO-UHFFFAOYSA-N 1 0 345.399 2.249 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479839 1318083907 /nfs/dbraw/zinc/08/39/07/1318083907.db2.gz NCLQLAYAOAOMBP-KRWDZBQOSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001254570965 1318126121 /nfs/dbraw/zinc/12/61/21/1318126121.db2.gz QVWWEBWNXPXDAI-VNQPRFMTSA-N 1 0 331.416 2.469 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583792 1318133277 /nfs/dbraw/zinc/13/32/77/1318133277.db2.gz DGAOJCNHRWUCGA-GOSISDBHSA-N 1 0 338.411 2.407 20 5 EEBDRO COC(=O)c1cncc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254586319 1318134038 /nfs/dbraw/zinc/13/40/38/1318134038.db2.gz QCWZQTNMVCDSDA-OAHLLOKOSA-N 1 0 327.340 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ncccn1)[C@H]1CCC[NH2+]C1)C2 ZINC001254604349 1318139691 /nfs/dbraw/zinc/13/96/91/1318139691.db2.gz VXNAWOCXLIOHEC-DLBZAZTESA-N 1 0 339.399 2.111 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256087176 1318644848 /nfs/dbraw/zinc/64/48/48/1318644848.db2.gz RAHFPKKHECFWFS-UHFFFAOYSA-N 1 0 337.420 2.323 20 5 EEBDRO COC(=O)c1cnc(N2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001157739521 1318828843 /nfs/dbraw/zinc/82/88/43/1318828843.db2.gz LDSXLBJHPOIUBP-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](CC)CC1(C)C ZINC001158561880 1319307408 /nfs/dbraw/zinc/30/74/08/1319307408.db2.gz QXFJEVCEWFVULY-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO C[N@H+](C1CN(c2nccc3cc([N+](=O)[O-])ccc32)C1)[C@H]1CCOC1 ZINC001158734700 1319409853 /nfs/dbraw/zinc/40/98/53/1319409853.db2.gz RSSUYSCTNFPBNQ-AWEZNQCLSA-N 1 0 328.372 2.052 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3ccc([N+](=O)[O-])cc3n2)O1 ZINC001159239001 1319698664 /nfs/dbraw/zinc/69/86/64/1319698664.db2.gz AVRDIQYWJARISB-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC001161473463 1320511852 /nfs/dbraw/zinc/51/18/52/1320511852.db2.gz YFYWTKWNCSNBQO-INIZCTEOSA-N 1 0 341.415 2.381 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161581206 1320546683 /nfs/dbraw/zinc/54/66/83/1320546683.db2.gz JFANGSNCTWIZDU-UHFFFAOYSA-N 1 0 333.779 2.493 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001161934417 1320682786 /nfs/dbraw/zinc/68/27/86/1320682786.db2.gz PSENCZSFIPIDJF-UHFFFAOYSA-N 1 0 345.142 2.333 20 5 EEBDRO CCOC(=O)c1cnc(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162573898 1320902097 /nfs/dbraw/zinc/90/20/97/1320902097.db2.gz VVCFZLGBTPLICC-HNNXBMFYSA-N 1 0 340.355 2.060 20 5 EEBDRO CCOC(=O)c1cnc(N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162841257 1320971527 /nfs/dbraw/zinc/97/15/27/1320971527.db2.gz GGCZQMDIGHMZEH-CYBMUJFWSA-N 1 0 342.355 2.188 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162963425 1320998244 /nfs/dbraw/zinc/99/82/44/1320998244.db2.gz SCSKZRANVRIJJI-GFCCVEGCSA-N 1 0 345.403 2.432 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc21 ZINC001163166839 1321056599 /nfs/dbraw/zinc/05/65/99/1321056599.db2.gz LJCWRQUYHMWUTP-UXIGCNINSA-N 1 0 346.362 2.319 20 5 EEBDRO CN1CCC(CNc2cc(F)cc(F)c2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164212829 1321320179 /nfs/dbraw/zinc/32/01/79/1321320179.db2.gz FTYJWTXTXXDNCP-UHFFFAOYSA-N 1 0 328.363 2.311 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165237492 1321481001 /nfs/dbraw/zinc/48/10/01/1321481001.db2.gz XQSXAIRQEPNOEV-LBPRGKRZSA-N 1 0 332.191 2.272 20 5 EEBDRO Cc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001165268090 1321487382 /nfs/dbraw/zinc/48/73/82/1321487382.db2.gz PQJSGUKXJKTKPR-LLVKDONJSA-N 1 0 345.325 2.204 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001165432866 1321525723 /nfs/dbraw/zinc/52/57/23/1321525723.db2.gz UXNPSVNNUVVHND-VHSXEESVSA-N 1 0 328.775 2.465 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001262561766 1322324010 /nfs/dbraw/zinc/32/40/10/1322324010.db2.gz GTQUAKBBKGMAEB-HNNXBMFYSA-N 1 0 333.363 2.339 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001324253813 1333643630 /nfs/dbraw/zinc/64/36/30/1333643630.db2.gz IUCCUWXBOLRINS-MRXNPFEDSA-N 1 0 342.399 2.033 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609227040 1351901429 /nfs/dbraw/zinc/90/14/29/1351901429.db2.gz AMZVCNVDHCHFPD-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO Cc1cccnc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915743 1336447716 /nfs/dbraw/zinc/44/77/16/1336447716.db2.gz BBJABTHOERPGDA-DZGCQCFKSA-N 1 0 331.372 2.389 20 5 EEBDRO Nc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC001336452473 1336546559 /nfs/dbraw/zinc/54/65/59/1336546559.db2.gz BTBVEBWZMJPTDB-UHFFFAOYSA-N 1 0 345.378 2.423 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341979837 1337306268 /nfs/dbraw/zinc/30/62/68/1337306268.db2.gz BYOCCDHTKIDTSE-LZLYRXPVSA-N 1 0 329.400 2.443 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC001343251530 1337331312 /nfs/dbraw/zinc/33/13/12/1337331312.db2.gz OGPFFCIZDZPHAV-UONOGXRCSA-N 1 0 338.433 2.413 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000847886286 1338359937 /nfs/dbraw/zinc/35/99/37/1338359937.db2.gz ABMDDQOTOLZRML-UHFFFAOYSA-N 1 0 336.388 2.479 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH2+]C(C)(C)C1 ZINC001576314444 1343997026 /nfs/dbraw/zinc/99/70/26/1343997026.db2.gz GHOVKRAPGAZKPT-NSHDSACASA-N 1 0 331.376 2.390 20 5 EEBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001576648005 1344044407 /nfs/dbraw/zinc/04/44/07/1344044407.db2.gz KRAIBDQVXWGAOG-MCIONIFRSA-N 1 0 335.404 2.338 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001579459574 1344384634 /nfs/dbraw/zinc/38/46/34/1344384634.db2.gz IMISVKSXURACKA-SCZZXKLOSA-N 1 0 331.294 2.199 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001579733936 1344410154 /nfs/dbraw/zinc/41/01/54/1344410154.db2.gz FZTHBUVHTJHZJY-CXAGYDPISA-N 1 0 332.404 2.045 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603077859 1350634702 /nfs/dbraw/zinc/63/47/02/1350634702.db2.gz LDDYSWOWTDEPSZ-NSHDSACASA-N 1 0 345.407 2.307 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001604006815 1350828221 /nfs/dbraw/zinc/82/82/21/1350828221.db2.gz JSRVPBAMDPWKPL-LBPRGKRZSA-N 1 0 345.407 2.004 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001607081195 1351409189 /nfs/dbraw/zinc/40/91/89/1351409189.db2.gz AZMIKTLJOWIHKE-TZMCWYRMSA-N 1 0 343.391 2.204 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000831726673 1372392784 /nfs/dbraw/zinc/39/27/84/1372392784.db2.gz FLAIKTCNSWZHCT-KBPBESRZSA-N 1 0 346.431 2.337 20 5 EEBDRO CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100165850 1410606865 /nfs/dbraw/zinc/60/68/65/1410606865.db2.gz CIGVMWJBRREIOE-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000919802138 770297313 /nfs/dbraw/zinc/29/73/13/770297313.db2.gz JUSIIEWUUUCUDV-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CC(C)CCN(C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000068961238 775064333 /nfs/dbraw/zinc/06/43/33/775064333.db2.gz DUGCESWRXOLTSH-QGZVFWFLSA-N 1 0 348.403 2.297 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983245 781361379 /nfs/dbraw/zinc/36/13/79/781361379.db2.gz DADMJOFNKBXDMU-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO Cc1cc(C)cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997766849 791036640 /nfs/dbraw/zinc/03/66/40/791036640.db2.gz CZICDNYTZOXQAF-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818959385 785344692 /nfs/dbraw/zinc/34/46/92/785344692.db2.gz JCJIUMCDEWTVDO-QGZVFWFLSA-N 1 0 343.383 2.168 20 5 EEBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000819045395 785374757 /nfs/dbraw/zinc/37/47/57/785374757.db2.gz AWOGIKIESPPIJZ-IAGOWNOFSA-N 1 0 341.367 2.023 20 5 EEBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000819339784 785513896 /nfs/dbraw/zinc/51/38/96/785513896.db2.gz PKMSQXGNRNJISL-ZWKOTPCHSA-N 1 0 330.384 2.476 20 5 EEBDRO [NH3+]CC1(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CCCCC1 ZINC000822863941 787443199 /nfs/dbraw/zinc/44/31/99/787443199.db2.gz VXTNNCWJARWTDR-UHFFFAOYSA-N 1 0 331.376 2.415 20 5 EEBDRO C[N@H+](CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001107564905 787666193 /nfs/dbraw/zinc/66/61/93/787666193.db2.gz JZUVVLDYYBJMIZ-NSCUHMNNSA-N 1 0 332.404 2.163 20 5 EEBDRO Nc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000823993917 788011320 /nfs/dbraw/zinc/01/13/20/788011320.db2.gz LLIGCSJBTVZDGP-ZDUSSCGKSA-N 1 0 333.392 2.269 20 5 EEBDRO C[N@H+](CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000824615590 788244408 /nfs/dbraw/zinc/24/44/08/788244408.db2.gz JAVJZWRQOKOYIM-QGZVFWFLSA-N 1 0 349.431 2.399 20 5 EEBDRO CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC001147483598 791855565 /nfs/dbraw/zinc/85/55/65/791855565.db2.gz VYSUAVURGYCALK-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO CN(C)c1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001148966046 792830918 /nfs/dbraw/zinc/83/09/18/792830918.db2.gz FLIUBSKJBGKXHJ-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001093873764 795754668 /nfs/dbraw/zinc/75/46/68/795754668.db2.gz AUWWZVSLNXMMLN-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915512824 796295258 /nfs/dbraw/zinc/29/52/58/796295258.db2.gz VHQCABGXTBXMHD-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO Cn1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1=O ZINC001172902131 797130123 /nfs/dbraw/zinc/13/01/23/797130123.db2.gz VQTKYNVMZHBDBD-MRXNPFEDSA-N 1 0 327.384 2.331 20 5 EEBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912978 797170593 /nfs/dbraw/zinc/17/05/93/797170593.db2.gz NRUCSXGVDIBZHV-WBVHZDCISA-N 1 0 331.416 2.443 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180669 797278481 /nfs/dbraw/zinc/27/84/81/797278481.db2.gz YNDLGILMWVXSKF-SNVBAGLBSA-N 1 0 342.367 2.462 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2ccncc2)c1F ZINC001173180449 797278674 /nfs/dbraw/zinc/27/86/74/797278674.db2.gz QUSBEERPELRSCK-IAQYHMDHSA-N 1 0 349.362 2.392 20 5 EEBDRO O=C(Cc1ccc[nH]1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004190238 801205006 /nfs/dbraw/zinc/20/50/06/801205006.db2.gz VFNCGLKVFSNYKT-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001086012329 801929095 /nfs/dbraw/zinc/92/90/95/801929095.db2.gz SARAVKIENCUOTE-GASCZTMLSA-N 1 0 340.383 2.288 20 5 EEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001168984799 803548370 /nfs/dbraw/zinc/54/83/70/803548370.db2.gz AHGUGZXTUYBEHU-OBJOEFQTSA-N 1 0 327.425 2.277 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC001168967080 803552841 /nfs/dbraw/zinc/55/28/41/803552841.db2.gz NAISPTGUPSOXGL-MAUKXSAKSA-N 1 0 333.432 2.054 20 5 EEBDRO COc1nc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168992918 803560805 /nfs/dbraw/zinc/56/08/05/803560805.db2.gz LKRLSIZUINUSCX-GXSJLCMTSA-N 1 0 344.209 2.388 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169012545 803571325 /nfs/dbraw/zinc/57/13/25/803571325.db2.gz QXTLHCBYCMPMRD-APIJFGDWSA-N 1 0 339.436 2.373 20 5 EEBDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169021577 803588815 /nfs/dbraw/zinc/58/88/15/803588815.db2.gz LQCJPNYYSHRAJX-NUJGCVRESA-N 1 0 335.448 2.156 20 5 EEBDRO O=C1Nc2ccccc2CN1C1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057868 803598275 /nfs/dbraw/zinc/59/82/75/803598275.db2.gz YJFLNIJBUKIHON-TZMCWYRMSA-N 1 0 330.388 2.164 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169057878 803598314 /nfs/dbraw/zinc/59/83/14/803598314.db2.gz YNQKHLSZLPKPLN-MXASKKJJSA-N 1 0 332.400 2.320 20 5 EEBDRO COC(=O)COc1c(C)cc(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169570056 803855160 /nfs/dbraw/zinc/85/51/60/803855160.db2.gz WGXXKISHEDVREA-GFCCVEGCSA-N 1 0 337.376 2.009 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001169684042 803953280 /nfs/dbraw/zinc/95/32/80/803953280.db2.gz QLVIIDMMWABCIG-GFCCVEGCSA-N 1 0 341.371 2.329 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525905 807579190 /nfs/dbraw/zinc/57/91/90/807579190.db2.gz FXYXJWPSQPSEJR-NSHDSACASA-N 1 0 339.359 2.004 20 5 EEBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788605249 807601745 /nfs/dbraw/zinc/60/17/45/807601745.db2.gz WFTPWZXTKDLDGS-GFCCVEGCSA-N 1 0 342.399 2.430 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788914652 807757726 /nfs/dbraw/zinc/75/77/26/807757726.db2.gz ZRDAFQLRZXFNDG-MNOVXSKESA-N 1 0 347.462 2.055 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001129484423 810866263 /nfs/dbraw/zinc/86/62/63/810866263.db2.gz PADWAVPVXLWAJX-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO O=C(CC1CC(F)(F)C1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130430408 811628013 /nfs/dbraw/zinc/62/80/13/811628013.db2.gz YMMNSUPQCOUMSS-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO Cc1cc(C)nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001130666544 811903693 /nfs/dbraw/zinc/90/36/93/811903693.db2.gz QOMMDURAPFIQJS-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO COc1ccc(C)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130981385 812259105 /nfs/dbraw/zinc/25/91/05/812259105.db2.gz HKMXSHZZSLZDOS-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nccc2occc21 ZINC001131607781 813019943 /nfs/dbraw/zinc/01/99/43/813019943.db2.gz RCQLWMNCSMRKAD-UHFFFAOYSA-N 1 0 346.368 2.317 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171368723 529466783 /nfs/dbraw/zinc/46/67/83/529466783.db2.gz WINRHWHFNFTDTG-UHFFFAOYSA-N 1 0 345.403 2.132 20 5 EEBDRO CCc1n[nH]c(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)c1[N+](=O)[O-] ZINC000171804175 529467958 /nfs/dbraw/zinc/46/79/58/529467958.db2.gz JKRCXNVOTHNOQM-UHFFFAOYSA-N 1 0 345.403 2.262 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189671835 529562260 /nfs/dbraw/zinc/56/22/60/529562260.db2.gz CBSRKIUDBPJMNE-INIZCTEOSA-N 1 0 339.367 2.299 20 5 EEBDRO CCN1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000104139705 219351335 /nfs/dbraw/zinc/35/13/35/219351335.db2.gz APXVYHIKCIQWMI-VIFPVBQESA-N 1 0 329.198 2.283 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)s1 ZINC000187663363 236271529 /nfs/dbraw/zinc/27/15/29/236271529.db2.gz YPWZCCCTMXKKQK-RYUDHWBXSA-N 1 0 334.397 2.251 20 5 EEBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089551 216006094 /nfs/dbraw/zinc/00/60/94/216006094.db2.gz QWWWKHMGRIPHSH-HNNXBMFYSA-N 1 0 344.415 2.162 20 5 EEBDRO Cc1nccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000130565803 223161942 /nfs/dbraw/zinc/16/19/42/223161942.db2.gz LLYHMTJZKQTXCF-UHFFFAOYSA-N 1 0 345.403 2.328 20 5 EEBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000072897774 216325669 /nfs/dbraw/zinc/32/56/69/216325669.db2.gz XLFFBCQJNAZJCS-RHSMWYFYSA-N 1 0 335.404 2.329 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423832584 240658891 /nfs/dbraw/zinc/65/88/91/240658891.db2.gz ACCMPCLJHDBOMS-JSGCOSHPSA-N 1 0 325.796 2.499 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424013362 240789596 /nfs/dbraw/zinc/78/95/96/240789596.db2.gz QZMUDPKTCWKPPU-DLBZAZTESA-N 1 0 343.358 2.230 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000229927698 242214633 /nfs/dbraw/zinc/21/46/33/242214633.db2.gz BAPHQTBYPSUEKM-UKPHBRMFSA-N 1 0 330.388 2.030 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236673925 242315255 /nfs/dbraw/zinc/31/52/55/242315255.db2.gz QOPQRZXCGFXLKH-JTQLQIEISA-N 1 0 349.840 2.208 20 5 EEBDRO COCC[N@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000447816990 242321692 /nfs/dbraw/zinc/32/16/92/242321692.db2.gz MAFPMHHPOKCIJN-UHFFFAOYSA-N 1 0 345.783 2.025 20 5 EEBDRO COc1ccc(CSCC(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000449565945 242564537 /nfs/dbraw/zinc/56/45/37/242564537.db2.gz MBFFIFCAAOBKHB-NSHDSACASA-N 1 0 341.433 2.080 20 5 EEBDRO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543143 243151254 /nfs/dbraw/zinc/15/12/54/243151254.db2.gz AZOYLCBASFWIJC-RHSMWYFYSA-N 1 0 336.388 2.088 20 5 EEBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000451703457 243215685 /nfs/dbraw/zinc/21/56/85/243215685.db2.gz DVBRCHLNDREIHX-INIZCTEOSA-N 1 0 343.431 2.245 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNc2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000077932852 217001863 /nfs/dbraw/zinc/00/18/63/217001863.db2.gz HVEKSUVUDFEAJA-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO CCOC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713924 245220491 /nfs/dbraw/zinc/22/04/91/245220491.db2.gz OFFRFKCSEZTFBG-HUUCEWRRSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492124260 246312355 /nfs/dbraw/zinc/31/23/55/246312355.db2.gz HUQOWKBBFCWBAO-AWMRPNINSA-N 1 0 333.363 2.346 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091985108 218098513 /nfs/dbraw/zinc/09/85/13/218098513.db2.gz FFSVNLIIEYZVHP-LBPRGKRZSA-N 1 0 346.387 2.236 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000420254475 285106257 /nfs/dbraw/zinc/10/62/57/285106257.db2.gz DCJFZNAAXAKEIG-UHFFFAOYSA-N 1 0 329.360 2.225 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269193215 255542725 /nfs/dbraw/zinc/54/27/25/255542725.db2.gz HUGSLNBMNGZNBS-KCJUWKMLSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269376537 255572080 /nfs/dbraw/zinc/57/20/80/255572080.db2.gz NTILJKSFXLLOIU-NSHDSACASA-N 1 0 342.827 2.172 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267065437 256023856 /nfs/dbraw/zinc/02/38/56/256023856.db2.gz CNWOKZNJBBWJTF-UHFFFAOYSA-N 1 0 335.389 2.061 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000267238109 256040620 /nfs/dbraw/zinc/04/06/20/256040620.db2.gz RFFRURWTEVDQGW-UHFFFAOYSA-N 1 0 349.431 2.290 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1[NH+](C)C ZINC000270501361 256141737 /nfs/dbraw/zinc/14/17/37/256141737.db2.gz PTYBHDNWQNLNIX-CMPLNLGQSA-N 1 0 329.447 2.082 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270306735 256122344 /nfs/dbraw/zinc/12/23/44/256122344.db2.gz ZHSITMBMFFLJPB-INIZCTEOSA-N 1 0 331.416 2.328 20 5 EEBDRO COc1cc(NCCN2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271090776 256206778 /nfs/dbraw/zinc/20/67/78/256206778.db2.gz KYEANBSXBMTTMY-UHFFFAOYSA-N 1 0 340.399 2.180 20 5 EEBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000118992906 221219589 /nfs/dbraw/zinc/21/95/89/221219589.db2.gz DTUGJCWZGQJMFT-UHFFFAOYSA-N 1 0 331.420 2.292 20 5 EEBDRO CCOc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123881 256210294 /nfs/dbraw/zinc/21/02/94/256210294.db2.gz KAPDJYPKSFNBKG-UKRRQHHQSA-N 1 0 337.420 2.101 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273173011 256273226 /nfs/dbraw/zinc/27/32/26/256273226.db2.gz FMSODCZVXJSDRK-CQSZACIVSA-N 1 0 348.447 2.410 20 5 EEBDRO CC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000273519533 256303193 /nfs/dbraw/zinc/30/31/93/256303193.db2.gz RUTKHCQJCRMDQS-HNNXBMFYSA-N 1 0 329.404 2.429 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273597122 256310590 /nfs/dbraw/zinc/31/05/90/256310590.db2.gz IRMHEAXZKJGVQW-AWEZNQCLSA-N 1 0 327.388 2.486 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1C ZINC000161237065 291991967 /nfs/dbraw/zinc/99/19/67/291991967.db2.gz IQEGHHGQSVONQZ-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000111050238 142351304 /nfs/dbraw/zinc/35/13/04/142351304.db2.gz VYDACUHAYHJDRJ-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO CN(CC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089899030 292213803 /nfs/dbraw/zinc/21/38/03/292213803.db2.gz RITBDGMSZDEJPS-UHFFFAOYSA-N 1 0 340.811 2.214 20 5 EEBDRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312060 154046120 /nfs/dbraw/zinc/04/61/20/154046120.db2.gz QLWAULYKNQNAOV-GOEBONIOSA-N 1 0 348.447 2.066 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000182831764 286625978 /nfs/dbraw/zinc/62/59/78/286625978.db2.gz QJCZRTDVKNLDIJ-HUUCEWRRSA-N 1 0 326.418 2.083 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000090552046 159197717 /nfs/dbraw/zinc/19/77/17/159197717.db2.gz CSXPSHRKNWAXTF-UHFFFAOYSA-N 1 0 349.431 2.428 20 5 EEBDRO COC(=O)c1cnc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000189384614 160141134 /nfs/dbraw/zinc/14/11/34/160141134.db2.gz VYSTWBLYYIASMP-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO O=[N+]([O-])c1cc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000238058221 160227967 /nfs/dbraw/zinc/22/79/67/160227967.db2.gz UQDCBUMNBDHDRG-INIZCTEOSA-N 1 0 347.440 2.165 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247335966 160320376 /nfs/dbraw/zinc/32/03/76/160320376.db2.gz XGCITRUAKORYSF-CPUCHLNUSA-N 1 0 346.431 2.338 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000342241631 161049966 /nfs/dbraw/zinc/04/99/66/161049966.db2.gz GJKYOUZZXAMWHW-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499983 161070203 /nfs/dbraw/zinc/07/02/03/161070203.db2.gz OSHRQNAHIPURON-WBMJQRKESA-N 1 0 342.399 2.148 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000342762460 161088603 /nfs/dbraw/zinc/08/86/03/161088603.db2.gz WMLZGNGDTBNQMF-SWLSCSKDSA-N 1 0 335.379 2.362 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000342781296 161090481 /nfs/dbraw/zinc/09/04/81/161090481.db2.gz NVUZKKDAMNFEME-UHFFFAOYSA-N 1 0 339.395 2.480 20 5 EEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000344454402 161229080 /nfs/dbraw/zinc/22/90/80/161229080.db2.gz WZFNSYQIIXQQMS-UHFFFAOYSA-N 1 0 345.359 2.065 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000344797217 161246741 /nfs/dbraw/zinc/24/67/41/161246741.db2.gz WCQFTHOTQCVEIP-GIIHOQTISA-N 1 0 331.416 2.451 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344843251 161250387 /nfs/dbraw/zinc/25/03/87/161250387.db2.gz FPBUROOYQPKKBB-RPHSKFLZSA-N 1 0 326.418 2.411 20 5 EEBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344880821 161253075 /nfs/dbraw/zinc/25/30/75/161253075.db2.gz HDMKTVSWOWZQBH-ZDUSSCGKSA-N 1 0 344.371 2.358 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](C)C)cc1SC ZINC000346137673 161360593 /nfs/dbraw/zinc/36/05/93/161360593.db2.gz GENIQJZIDLUMNO-SECBINFHSA-N 1 0 327.406 2.005 20 5 EEBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC[NH+](C)CC1 ZINC000355462490 163199138 /nfs/dbraw/zinc/19/91/38/163199138.db2.gz BBTUQMWSPHJEGX-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356254663 163381830 /nfs/dbraw/zinc/38/18/30/163381830.db2.gz PLKGJZGQRDSJCP-WBMJQRKESA-N 1 0 330.388 2.355 20 5 EEBDRO CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C[NH3+])C1 ZINC000359050467 164046483 /nfs/dbraw/zinc/04/64/83/164046483.db2.gz CNYVPTNQFGXVPF-HOTGVXAUSA-N 1 0 337.420 2.320 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000368115826 166053347 /nfs/dbraw/zinc/05/33/47/166053347.db2.gz RBPZEIAGUSINGL-OAHLLOKOSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000368245559 166075382 /nfs/dbraw/zinc/07/53/82/166075382.db2.gz VDVXPGHYNHOLTA-INIZCTEOSA-N 1 0 343.387 2.375 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000364659798 165224686 /nfs/dbraw/zinc/22/46/86/165224686.db2.gz PXWMQSSKKKTPCU-ZJUUUORDSA-N 1 0 345.446 2.099 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364801835 165279206 /nfs/dbraw/zinc/27/92/06/165279206.db2.gz PVBUPLYGXGCTBA-GJZGRUSLSA-N 1 0 347.415 2.311 20 5 EEBDRO C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000370057209 166385366 /nfs/dbraw/zinc/38/53/66/166385366.db2.gz VQUKCJHVYZBPAS-HNNXBMFYSA-N 1 0 343.431 2.425 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374408875 167036950 /nfs/dbraw/zinc/03/69/50/167036950.db2.gz AOKUKNPSVSFHHU-UONOGXRCSA-N 1 0 333.388 2.200 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000376686427 167375343 /nfs/dbraw/zinc/37/53/43/167375343.db2.gz ICIVZTBHGPPFKY-ZBFHGGJFSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000122658011 222132558 /nfs/dbraw/zinc/13/25/58/222132558.db2.gz NEHCPMNZLIBRDL-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000249045030 292649206 /nfs/dbraw/zinc/64/92/06/292649206.db2.gz VSUOSCWJSPHDPX-XIRDDKMYSA-N 1 0 347.415 2.198 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272762783 269016594 /nfs/dbraw/zinc/01/65/94/269016594.db2.gz ATTURHOZPKEEBW-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000274558240 269039228 /nfs/dbraw/zinc/03/92/28/269039228.db2.gz YXOLNTZXOFTOFT-GFCCVEGCSA-N 1 0 336.348 2.106 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277388710 269152891 /nfs/dbraw/zinc/15/28/91/269152891.db2.gz DDGYALAEUQGQQR-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277635726 269165976 /nfs/dbraw/zinc/16/59/76/269165976.db2.gz BSDVCUNBWIKBCB-NOLJZWGESA-N 1 0 330.388 2.097 20 5 EEBDRO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361285 269273982 /nfs/dbraw/zinc/27/39/82/269273982.db2.gz WIQBEDBLVSBFCW-GXTWGEPZSA-N 1 0 326.418 2.162 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000280852833 269393910 /nfs/dbraw/zinc/39/39/10/269393910.db2.gz CQVFZEZRMGDORF-YOEHRIQHSA-N 1 0 347.415 2.225 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281881716 269451630 /nfs/dbraw/zinc/45/16/30/269451630.db2.gz GHHZRRGQPCPVQA-LLVKDONJSA-N 1 0 336.348 2.012 20 5 EEBDRO CC(C)OCC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347410263 273540681 /nfs/dbraw/zinc/54/06/81/273540681.db2.gz FUEHKYMPSYYKSB-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO CCn1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000271465820 274133011 /nfs/dbraw/zinc/13/30/11/274133011.db2.gz IDUIROVIADWILM-GFCCVEGCSA-N 1 0 331.376 2.318 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275657105 274258538 /nfs/dbraw/zinc/25/85/38/274258538.db2.gz YDKMLDQMHJTBSB-CYBMUJFWSA-N 1 0 337.420 2.023 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488355969 274336997 /nfs/dbraw/zinc/33/69/97/274336997.db2.gz YJOOERJHWLJVFV-PELKAZGASA-N 1 0 342.193 2.494 20 5 EEBDRO C[NH+](C)C1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278455605 274357643 /nfs/dbraw/zinc/35/76/43/274357643.db2.gz LZEUAHUCZUYRMT-UHFFFAOYSA-N 1 0 340.252 2.394 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1C ZINC000189441104 274665359 /nfs/dbraw/zinc/66/53/59/274665359.db2.gz AELFRLIGZPBWHN-SNVBAGLBSA-N 1 0 349.366 2.455 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285490967 274740821 /nfs/dbraw/zinc/74/08/21/274740821.db2.gz MIKQBDHTADWOMO-MLGOLLRUSA-N 1 0 335.404 2.386 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285755305 274787027 /nfs/dbraw/zinc/78/70/27/274787027.db2.gz ZBFJFIDAYYDZGC-JKIFEVAISA-N 1 0 346.431 2.480 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000128527728 274955869 /nfs/dbraw/zinc/95/58/69/274955869.db2.gz SSIBUENXGNIQDG-VXGBXAGGSA-N 1 0 342.193 2.357 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288518512 275066112 /nfs/dbraw/zinc/06/61/12/275066112.db2.gz TVDSSNGQBAMSTJ-RYUDHWBXSA-N 1 0 335.408 2.140 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCc2occc2C1 ZINC000288869844 275089190 /nfs/dbraw/zinc/08/91/90/275089190.db2.gz QLDQXOJCGBKBFJ-AWEZNQCLSA-N 1 0 332.356 2.376 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000289201035 275103635 /nfs/dbraw/zinc/10/36/35/275103635.db2.gz XMRNIUGGHADOHF-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EEBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966391 275166233 /nfs/dbraw/zinc/16/62/33/275166233.db2.gz ZGXYIIRRDLMVGH-DVJJNNKXSA-N 1 0 331.416 2.403 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)C1CCCC1 ZINC000290201737 275188876 /nfs/dbraw/zinc/18/88/76/275188876.db2.gz PEDCXWCHKRWIMP-BLLLJJGKSA-N 1 0 335.404 2.453 20 5 EEBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000120606006 276361471 /nfs/dbraw/zinc/36/14/71/276361471.db2.gz RMKDIQQAZFLMNC-CABCVRRESA-N 1 0 335.404 2.329 20 5 EEBDRO C[NH+](C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420588365 276827522 /nfs/dbraw/zinc/82/75/22/276827522.db2.gz PZSOXTFKEKIIKZ-CQSZACIVSA-N 1 0 342.399 2.279 20 5 EEBDRO C[C@@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000455450645 278271428 /nfs/dbraw/zinc/27/14/28/278271428.db2.gz WXZGXOPTZQKJTP-DZGCQCFKSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374633481 280212528 /nfs/dbraw/zinc/21/25/28/280212528.db2.gz YEQHTPCOYCKUJK-BPNCWPANSA-N 1 0 348.359 2.011 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343421553 281013706 /nfs/dbraw/zinc/01/37/06/281013706.db2.gz CVWRWHXPCDYPBN-HOTGVXAUSA-N 1 0 332.448 2.365 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175960703 289379701 /nfs/dbraw/zinc/37/97/01/289379701.db2.gz YDQGCGCDYLZHAL-HOCLYGCPSA-N 1 0 334.420 2.309 20 5 EEBDRO CSc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281185920 292739964 /nfs/dbraw/zinc/73/99/64/292739964.db2.gz BGQLVRDUQQMEOH-FZMZJTMJSA-N 1 0 336.417 2.225 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000283497941 292948901 /nfs/dbraw/zinc/94/89/01/292948901.db2.gz OSDVTMWFDUFHKQ-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293362474 293190300 /nfs/dbraw/zinc/19/03/00/293190300.db2.gz IOFLHRKIOWUNHJ-VIFPVBQESA-N 1 0 334.319 2.408 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296301307 293940686 /nfs/dbraw/zinc/94/06/86/293940686.db2.gz JOZLYBAMPJJWLQ-UHFFFAOYSA-N 1 0 346.431 2.453 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000296772841 294063710 /nfs/dbraw/zinc/06/37/10/294063710.db2.gz MUVAYTVOJJSYEH-BBRMVZONSA-N 1 0 345.399 2.110 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000297667648 294310502 /nfs/dbraw/zinc/31/05/02/294310502.db2.gz ZQDZBCRFDNJZRZ-CABCVRRESA-N 1 0 347.415 2.231 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000297876998 294363312 /nfs/dbraw/zinc/36/33/12/294363312.db2.gz UTIRWJXAXZZYLY-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000362782338 302037922 /nfs/dbraw/zinc/03/79/22/302037922.db2.gz QIDNRQQPDILGEZ-SQWLQELKSA-N 1 0 347.415 2.227 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190626 311826335 /nfs/dbraw/zinc/82/63/35/311826335.db2.gz PPKYEIFLUDSGKE-NILFDRSVSA-N 1 0 341.433 2.106 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332399486 312001421 /nfs/dbraw/zinc/00/14/21/312001421.db2.gz RRHOZWVXNXOSIL-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO CC[NH+]1CCN(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413043345 312775776 /nfs/dbraw/zinc/77/57/76/312775776.db2.gz CHDAHRXTUCWBSO-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CCOCC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413127242 312797015 /nfs/dbraw/zinc/79/70/15/312797015.db2.gz IYZQSHXIYWBYIQ-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CC(C)(CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000414518544 313035685 /nfs/dbraw/zinc/03/56/85/313035685.db2.gz VDDANKLQCNWBGO-VURMDHGXSA-N 1 0 326.418 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)s2)cc1 ZINC000414551161 313039517 /nfs/dbraw/zinc/03/95/17/313039517.db2.gz BDAJAAMZVUNXOI-BBRMVZONSA-N 1 0 348.424 2.498 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415661347 313164074 /nfs/dbraw/zinc/16/40/74/313164074.db2.gz QMOBAABDLGRIED-NWDGAFQWSA-N 1 0 334.376 2.067 20 5 EEBDRO COc1ccc(CC(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514854578 316431224 /nfs/dbraw/zinc/43/12/24/316431224.db2.gz NWPVUJAQKDQIBX-AWEZNQCLSA-N 1 0 341.367 2.063 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000532953782 317891833 /nfs/dbraw/zinc/89/18/33/317891833.db2.gz GYPSKMQCDQMVJO-AWEZNQCLSA-N 1 0 332.404 2.012 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000539295488 318053426 /nfs/dbraw/zinc/05/34/26/318053426.db2.gz OPYDIZXDXAFJBA-BJJXKVORSA-N 1 0 335.404 2.190 20 5 EEBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541983237 318119923 /nfs/dbraw/zinc/11/99/23/318119923.db2.gz OUHFYUXNQVUPRA-OAHLLOKOSA-N 1 0 329.356 2.165 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000542754910 318138511 /nfs/dbraw/zinc/13/85/11/318138511.db2.gz HSWBUAWUDIPVHR-ZDUSSCGKSA-N 1 0 334.420 2.467 20 5 EEBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000542911596 318147168 /nfs/dbraw/zinc/14/71/68/318147168.db2.gz JLNZVNIFMWJFCS-KRWDZBQOSA-N 1 0 343.383 2.189 20 5 EEBDRO COc1ccc(CC(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546077266 318244097 /nfs/dbraw/zinc/24/40/97/318244097.db2.gz UNSULYUKDCPTMM-UHFFFAOYSA-N 1 0 349.431 2.384 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C2(C[NH3+])CCC2)cc1SC ZINC000565711024 319206984 /nfs/dbraw/zinc/20/69/84/319206984.db2.gz DZEZUPVRTBPKOT-UHFFFAOYSA-N 1 0 339.417 2.279 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000567561215 319389922 /nfs/dbraw/zinc/38/99/22/319389922.db2.gz OLDUXDQPDJYTPP-MRXNPFEDSA-N 1 0 332.404 2.411 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000575744667 320110004 /nfs/dbraw/zinc/11/00/04/320110004.db2.gz FBVQYGCJWIMLAZ-CJNGLKHVSA-N 1 0 333.388 2.343 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000577458625 320255973 /nfs/dbraw/zinc/25/59/73/320255973.db2.gz WUCITXBFCIIACQ-LLVKDONJSA-N 1 0 337.351 2.053 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000580172486 324007548 /nfs/dbraw/zinc/00/75/48/324007548.db2.gz AFFGOBVMXSCURO-UHFFFAOYSA-N 1 0 349.435 2.004 20 5 EEBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000582661201 324498579 /nfs/dbraw/zinc/49/85/79/324498579.db2.gz UBPHCPOEDZEIJQ-MRXNPFEDSA-N 1 0 331.372 2.136 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC000600953971 449613604 /nfs/dbraw/zinc/61/36/04/449613604.db2.gz IKHUDOCZUATWMB-ZDUSSCGKSA-N 1 0 332.335 2.196 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1 ZINC000354601308 465048156 /nfs/dbraw/zinc/04/81/56/465048156.db2.gz KSLPRMXUKOWQEY-UHFFFAOYSA-N 1 0 343.387 2.022 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000347493619 465055625 /nfs/dbraw/zinc/05/56/25/465055625.db2.gz HHAGVKRBNAIEKD-CYBMUJFWSA-N 1 0 346.431 2.313 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296039590 465059351 /nfs/dbraw/zinc/05/93/51/465059351.db2.gz NARLCKHGKSKECJ-OAHLLOKOSA-N 1 0 335.404 2.041 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000341238812 465070937 /nfs/dbraw/zinc/07/09/37/465070937.db2.gz JQLHTMLTYXOOSR-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1 ZINC000339140855 465106262 /nfs/dbraw/zinc/10/62/62/465106262.db2.gz OARQDKBOIXCBBA-STQMWFEESA-N 1 0 334.294 2.243 20 5 EEBDRO Cn1cc(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351516874 465197067 /nfs/dbraw/zinc/19/70/67/465197067.db2.gz KOWRJEOOBGVRLN-LSDHHAIUSA-N 1 0 332.408 2.231 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)c(F)c1 ZINC000339424899 465261403 /nfs/dbraw/zinc/26/14/03/465261403.db2.gz WGXCZPPPZQVQBL-LBPRGKRZSA-N 1 0 344.350 2.467 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060950617 462571601 /nfs/dbraw/zinc/57/16/01/462571601.db2.gz YGSKCTYSLNQXNO-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074316432 462583817 /nfs/dbraw/zinc/58/38/17/462583817.db2.gz CJDMRRMUQDHCSK-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000127886554 462591757 /nfs/dbraw/zinc/59/17/57/462591757.db2.gz BLGXHISFZFFLGV-ZDUSSCGKSA-N 1 0 335.404 2.273 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000074764499 462631823 /nfs/dbraw/zinc/63/18/23/462631823.db2.gz QAKGWZKRBLMOGP-HNNXBMFYSA-N 1 0 332.404 2.017 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000046054799 462642462 /nfs/dbraw/zinc/64/24/62/462642462.db2.gz XURDVSHJGXCHTH-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000063710859 462664748 /nfs/dbraw/zinc/66/47/48/462664748.db2.gz DVNJVSLTSHQNMD-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000128787135 462670852 /nfs/dbraw/zinc/67/08/52/462670852.db2.gz BFYOITLWHRHLQL-MRXNPFEDSA-N 1 0 349.431 2.097 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000075216008 462695079 /nfs/dbraw/zinc/69/50/79/462695079.db2.gz HOKWQJQSZHXTMI-CYBMUJFWSA-N 1 0 334.420 2.289 20 5 EEBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897293 462737769 /nfs/dbraw/zinc/73/77/69/462737769.db2.gz ZJUIORHAPCVPPA-ZDUSSCGKSA-N 1 0 344.371 2.208 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000075750140 462755813 /nfs/dbraw/zinc/75/58/13/462755813.db2.gz VOJUZOJTYPXOHP-GJZGRUSLSA-N 1 0 334.376 2.363 20 5 EEBDRO C[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000047272513 462763179 /nfs/dbraw/zinc/76/31/79/462763179.db2.gz NWHJTDMFTCZIHN-UHFFFAOYSA-N 1 0 341.415 2.349 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000067724353 463044057 /nfs/dbraw/zinc/04/40/57/463044057.db2.gz KKENRVXRZYGLRX-MRXNPFEDSA-N 1 0 332.404 2.365 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133132 463096855 /nfs/dbraw/zinc/09/68/55/463096855.db2.gz ANGLADIVWUHWNC-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000135466329 463161458 /nfs/dbraw/zinc/16/14/58/463161458.db2.gz UHJFQDGPVYUUFM-AWEZNQCLSA-N 1 0 335.429 2.311 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(N)=O ZINC000135941559 463207786 /nfs/dbraw/zinc/20/77/86/463207786.db2.gz IRBDAOCBSPGHBE-SNVBAGLBSA-N 1 0 333.319 2.490 20 5 EEBDRO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@H]1[NH3+] ZINC000522001521 468347580 /nfs/dbraw/zinc/34/75/80/468347580.db2.gz VACYRSOQDPHLKN-DZGCQCFKSA-N 1 0 346.431 2.007 20 5 EEBDRO Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083783 463317793 /nfs/dbraw/zinc/31/77/93/463317793.db2.gz XBHDPGGKXIIDLE-LLVKDONJSA-N 1 0 335.385 2.298 20 5 EEBDRO Cc1cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000139950455 463335821 /nfs/dbraw/zinc/33/58/21/463335821.db2.gz GQBWEWOZQIAJJC-QGZVFWFLSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1ccc(NCCCNC(=O)CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000160483534 463343336 /nfs/dbraw/zinc/34/33/36/463343336.db2.gz ZHWPHOVWWWGYOV-UHFFFAOYSA-N 1 0 334.420 2.211 20 5 EEBDRO CNc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000522184209 468361371 /nfs/dbraw/zinc/36/13/71/468361371.db2.gz XQPMPGYZMLBYBN-UHFFFAOYSA-N 1 0 334.420 2.440 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168379 463487673 /nfs/dbraw/zinc/48/76/73/463487673.db2.gz AJLHQHPZYINYST-RAEVTNRLSA-N 1 0 333.388 2.469 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522203928 468362410 /nfs/dbraw/zinc/36/24/10/468362410.db2.gz KXCPZSLFWFIJQI-LBPRGKRZSA-N 1 0 349.387 2.318 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000162856904 463545129 /nfs/dbraw/zinc/54/51/29/463545129.db2.gz BUSKGRCMMFLOGE-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO C[NH+]1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000162876537 463546560 /nfs/dbraw/zinc/54/65/60/463546560.db2.gz AGKFDDKUXCVFOF-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000073257843 463598898 /nfs/dbraw/zinc/59/88/98/463598898.db2.gz CSAZCTPKFKEAPM-UHFFFAOYSA-N 1 0 349.435 2.182 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559062 463616239 /nfs/dbraw/zinc/61/62/39/463616239.db2.gz PXTANXFWUVWGNM-SWLSCSKDSA-N 1 0 332.404 2.439 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000127179490 463687272 /nfs/dbraw/zinc/68/72/72/463687272.db2.gz ZKCKBMMJJNMNKH-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282961465 463715633 /nfs/dbraw/zinc/71/56/33/463715633.db2.gz WCIUBFHVDKAVRI-AWEZNQCLSA-N 1 0 348.403 2.171 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177664307 463759630 /nfs/dbraw/zinc/75/96/30/463759630.db2.gz OGFNLXUMNWTRNB-DGCLKSJQSA-N 1 0 348.403 2.028 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000193924129 463759689 /nfs/dbraw/zinc/75/96/89/463759689.db2.gz FUJDRPOKFUVHAM-HUUCEWRRSA-N 1 0 346.431 2.116 20 5 EEBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000287092057 463796665 /nfs/dbraw/zinc/79/66/65/463796665.db2.gz XEWXXGNPFYMTHA-CQSZACIVSA-N 1 0 337.376 2.184 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000171216477 463816924 /nfs/dbraw/zinc/81/69/24/463816924.db2.gz OETXMVGOSSHYAH-UHFFFAOYSA-N 1 0 332.404 2.446 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178167258 463855734 /nfs/dbraw/zinc/85/57/34/463855734.db2.gz QRLMAIVXURXPQW-STQMWFEESA-N 1 0 334.420 2.275 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1(O)CCOCC1)C1CC1 ZINC000287321554 463869925 /nfs/dbraw/zinc/86/99/25/463869925.db2.gz FLSPYDKZOIWDGP-INIZCTEOSA-N 1 0 334.416 2.437 20 5 EEBDRO CCC[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCOC ZINC000195269112 464028014 /nfs/dbraw/zinc/02/80/14/464028014.db2.gz KXYAYQMYDUFNHC-AWEZNQCLSA-N 1 0 348.447 2.500 20 5 EEBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262530869 464032060 /nfs/dbraw/zinc/03/20/60/464032060.db2.gz NMVJTDPPHQRCIL-XQQFMLRXSA-N 1 0 334.420 2.154 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179148902 464068983 /nfs/dbraw/zinc/06/89/83/464068983.db2.gz JPZLIIJJCAPJQG-ZDUSSCGKSA-N 1 0 349.387 2.259 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C ZINC000172591369 464111961 /nfs/dbraw/zinc/11/19/61/464111961.db2.gz LKXWTCACZNUFCC-NSHDSACASA-N 1 0 339.417 2.369 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1CC=CCC1 ZINC000225461983 464162483 /nfs/dbraw/zinc/16/24/83/464162483.db2.gz IANSTUBMTXSDHA-UHFFFAOYSA-N 1 0 327.182 2.426 20 5 EEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179751315 464181418 /nfs/dbraw/zinc/18/14/18/464181418.db2.gz PTRRRMYWIYMVRJ-LBPRGKRZSA-N 1 0 328.372 2.357 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263828154 464208060 /nfs/dbraw/zinc/20/80/60/464208060.db2.gz TWEULACBGBDUID-GFCCVEGCSA-N 1 0 344.293 2.008 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000263850604 464215055 /nfs/dbraw/zinc/21/50/55/464215055.db2.gz GMYISJQXRGXGRO-VXGBXAGGSA-N 1 0 332.360 2.410 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000280692367 464231938 /nfs/dbraw/zinc/23/19/38/464231938.db2.gz ZQVSKYOWQWQXLG-ZDUSSCGKSA-N 1 0 335.404 2.130 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCS(C)(=O)=O ZINC000271074596 464280089 /nfs/dbraw/zinc/28/00/89/464280089.db2.gz GCSMWMWXGMUHOZ-LBPRGKRZSA-N 1 0 346.474 2.490 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000280958333 464280366 /nfs/dbraw/zinc/28/03/66/464280366.db2.gz UOWCXMQAZSTSNH-JTQLQIEISA-N 1 0 347.387 2.436 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237299335 464298326 /nfs/dbraw/zinc/29/83/26/464298326.db2.gz ZRGFRKHUJMMEAF-CQSZACIVSA-N 1 0 337.423 2.126 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000281127028 464342113 /nfs/dbraw/zinc/34/21/13/464342113.db2.gz ITFLZLYIZJBBPY-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccs1 ZINC000180596132 464345549 /nfs/dbraw/zinc/34/55/49/464345549.db2.gz GCXFIUYNQDAWPH-LBPRGKRZSA-N 1 0 334.401 2.271 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237620870 464350543 /nfs/dbraw/zinc/35/05/43/464350543.db2.gz HZVRWWNYMMSPRT-GXTWGEPZSA-N 1 0 332.404 2.147 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292879342 464374815 /nfs/dbraw/zinc/37/48/15/464374815.db2.gz DUXYHTCFLYUWRY-GXTWGEPZSA-N 1 0 331.376 2.077 20 5 EEBDRO COCCO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000188825857 464377041 /nfs/dbraw/zinc/37/70/41/464377041.db2.gz XCDPQPYKUZNGJC-CYBMUJFWSA-N 1 0 346.330 2.434 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000281267723 464393171 /nfs/dbraw/zinc/39/31/71/464393171.db2.gz VVPNKWVXZWKGQK-UHFFFAOYSA-N 1 0 340.383 2.481 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264625934 464399977 /nfs/dbraw/zinc/39/99/77/464399977.db2.gz SOOXNNBTCNFQPA-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO Cn1cc(C[NH2+]CCCn2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237915103 464401956 /nfs/dbraw/zinc/40/19/56/464401956.db2.gz YGXIMCBBIBUMFI-UHFFFAOYSA-N 1 0 340.387 2.372 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153536 464498209 /nfs/dbraw/zinc/49/82/09/464498209.db2.gz CZXYXADEQDFLQJ-RISCZKNCSA-N 1 0 341.358 2.485 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294553312 464534299 /nfs/dbraw/zinc/53/42/99/464534299.db2.gz VWRXKYBGQKDUGN-UHFFFAOYSA-N 1 0 333.388 2.158 20 5 EEBDRO C[NH+](C)CC1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281823456 464598752 /nfs/dbraw/zinc/59/87/52/464598752.db2.gz VYWOJHBWVDTIAR-UHFFFAOYSA-N 1 0 344.371 2.063 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000265562999 464602004 /nfs/dbraw/zinc/60/20/04/464602004.db2.gz MJKXRVQHPSSHMC-UHFFFAOYSA-N 1 0 337.807 2.345 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272449947 464613815 /nfs/dbraw/zinc/61/38/15/464613815.db2.gz CCFOJCKADNKOIM-UHFFFAOYSA-N 1 0 327.331 2.289 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000182269364 464616833 /nfs/dbraw/zinc/61/68/33/464616833.db2.gz VNUYZTFFSYSPHY-MRXNPFEDSA-N 1 0 343.383 2.394 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484934 464627271 /nfs/dbraw/zinc/62/72/71/464627271.db2.gz TYRHGYFXYOBXBI-JTQLQIEISA-N 1 0 346.330 2.373 20 5 EEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000182391858 464642845 /nfs/dbraw/zinc/64/28/45/464642845.db2.gz BRLXYHPJBIMUDU-GFCCVEGCSA-N 1 0 335.385 2.114 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272570041 464662194 /nfs/dbraw/zinc/66/21/94/464662194.db2.gz FQXWBRYQDUVPQP-BZNIZROVSA-N 1 0 328.372 2.242 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272606182 464676648 /nfs/dbraw/zinc/67/66/48/464676648.db2.gz VWMLGAVSMBTQKS-DVOMOZLQSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000182676613 464707093 /nfs/dbraw/zinc/70/70/93/464707093.db2.gz YZRUHSGLCWXELD-LBPRGKRZSA-N 1 0 327.344 2.367 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000285903158 464736989 /nfs/dbraw/zinc/73/69/89/464736989.db2.gz RZBRCRPKZKRUAX-HUUCEWRRSA-N 1 0 347.415 2.449 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000176285864 464739480 /nfs/dbraw/zinc/73/94/80/464739480.db2.gz SLKFSJCYMJDSMX-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc2ncccc2c1[N+](=O)[O-] ZINC000176820595 464859354 /nfs/dbraw/zinc/85/93/54/464859354.db2.gz IVAKRKCWHGFWSV-UHFFFAOYSA-N 1 0 344.400 2.407 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@@H](C)CC1 ZINC000192175050 464879635 /nfs/dbraw/zinc/87/96/35/464879635.db2.gz DRSOZBXDPRHOFU-NSHDSACASA-N 1 0 339.417 2.369 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000298735847 465488257 /nfs/dbraw/zinc/48/82/57/465488257.db2.gz KNCSLKCNHYMJRQ-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286425363 464912747 /nfs/dbraw/zinc/91/27/47/464912747.db2.gz IPFWLCDVRPMCLU-OWYVNGRQSA-N 1 0 341.795 2.420 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268239301 464988822 /nfs/dbraw/zinc/98/88/22/464988822.db2.gz UNPHWEFNTAXVTL-XPTSAGLGSA-N 1 0 348.359 2.024 20 5 EEBDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254955158 465020594 /nfs/dbraw/zinc/02/05/94/465020594.db2.gz AUMGTZWWXQEGJF-HYOAPIGFSA-N 1 0 326.418 2.361 20 5 EEBDRO CC1CCC([NH+]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000342414516 465319032 /nfs/dbraw/zinc/31/90/32/465319032.db2.gz MLAHKQOZIIKOGZ-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000342483235 465324490 /nfs/dbraw/zinc/32/44/90/465324490.db2.gz YTUVEQVEBHFBPC-MNOVXSKESA-N 1 0 331.376 2.163 20 5 EEBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)[NH+]1C ZINC000339629801 465401494 /nfs/dbraw/zinc/40/14/94/465401494.db2.gz SBVWTDKJYBYNMA-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339671143 465433186 /nfs/dbraw/zinc/43/31/86/465433186.db2.gz KZDMIECPBQJVPX-STQMWFEESA-N 1 0 335.429 2.430 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298944965 465547147 /nfs/dbraw/zinc/54/71/47/465547147.db2.gz RBCFMMSLXCHCPN-LSDHHAIUSA-N 1 0 348.403 2.029 20 5 EEBDRO Cn1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348545742 465673774 /nfs/dbraw/zinc/67/37/74/465673774.db2.gz LGMMYFRZWXHDMQ-CVEARBPZSA-N 1 0 330.388 2.341 20 5 EEBDRO Cn1cc(C[N@H+](C)[C@H]2CCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348545744 465674250 /nfs/dbraw/zinc/67/42/50/465674250.db2.gz LGMMYFRZWXHDMQ-JKSUJKDBSA-N 1 0 330.388 2.341 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000366428926 465721342 /nfs/dbraw/zinc/72/13/42/465721342.db2.gz MHZUKEBJLNWJDU-DJIMGWMZSA-N 1 0 347.415 2.227 20 5 EEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469008 465815968 /nfs/dbraw/zinc/81/59/68/465815968.db2.gz CLHBQNGLCBVCMW-DOTOQJQBSA-N 1 0 330.388 2.416 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CO ZINC000594016860 468461226 /nfs/dbraw/zinc/46/12/26/468461226.db2.gz LUVZALXCTAAUEM-OAHLLOKOSA-N 1 0 335.404 2.469 20 5 EEBDRO O=C([C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331370029 466050200 /nfs/dbraw/zinc/05/02/00/466050200.db2.gz HXVISTCYKMMZAL-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccccc2n1 ZINC000338362060 466061078 /nfs/dbraw/zinc/06/10/78/466061078.db2.gz WSFLAVFTFATUBZ-UHFFFAOYSA-N 1 0 338.367 2.277 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357625408 466186583 /nfs/dbraw/zinc/18/65/83/466186583.db2.gz DLUJMMJXAUBWJL-UHFFFAOYSA-N 1 0 337.445 2.487 20 5 EEBDRO Cc1cc(NCc2ccnc(N(C)C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340846789 466380656 /nfs/dbraw/zinc/38/06/56/466380656.db2.gz UFRNJZSRVPCBON-UHFFFAOYSA-N 1 0 338.371 2.341 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000358020615 466392091 /nfs/dbraw/zinc/39/20/91/466392091.db2.gz FGLHYHXGHJAJHJ-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC000347186448 466461080 /nfs/dbraw/zinc/46/10/80/466461080.db2.gz BWASXHXHXSDRFW-JSGCOSHPSA-N 1 0 349.387 2.115 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362136756 466581215 /nfs/dbraw/zinc/58/12/15/466581215.db2.gz MSOSEJZDYDKQMA-DLBZAZTESA-N 1 0 347.415 2.105 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000555878973 468499739 /nfs/dbraw/zinc/49/97/39/468499739.db2.gz SMDQAJZNNHTSAY-ZDUSSCGKSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000320099551 466604209 /nfs/dbraw/zinc/60/42/09/466604209.db2.gz AYPYXFSDBWVXEL-NSHDSACASA-N 1 0 335.385 2.093 20 5 EEBDRO COc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000322359109 466632107 /nfs/dbraw/zinc/63/21/07/466632107.db2.gz GOFZYVJDNFUQFH-LBPRGKRZSA-N 1 0 333.266 2.084 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCC[NH2+]1 ZINC000415481168 466686957 /nfs/dbraw/zinc/68/69/57/466686957.db2.gz ILFMFSMJIVQFMP-INIZCTEOSA-N 1 0 336.392 2.102 20 5 EEBDRO CN1CC[NH2+]C[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531258 466768404 /nfs/dbraw/zinc/76/84/04/466768404.db2.gz ZSKSFJFXGYBZIW-RTBURBONSA-N 1 0 340.427 2.177 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423545758 466771777 /nfs/dbraw/zinc/77/17/77/466771777.db2.gz DQOJOGLNZMVBTA-INIZCTEOSA-N 1 0 329.404 2.149 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000423581946 466778950 /nfs/dbraw/zinc/77/89/50/466778950.db2.gz ZPPMCENIVLZZDQ-TUKIKUTGSA-N 1 0 340.383 2.342 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000423688320 466803193 /nfs/dbraw/zinc/80/31/93/466803193.db2.gz XGQYMGJDAAESTM-SNVBAGLBSA-N 1 0 333.360 2.419 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000423970749 466932505 /nfs/dbraw/zinc/93/25/05/466932505.db2.gz XQJRXXMHFRWYBM-MRXNPFEDSA-N 1 0 343.387 2.028 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000423975196 466933892 /nfs/dbraw/zinc/93/38/92/466933892.db2.gz LGXLJBHXMPXISY-INIZCTEOSA-N 1 0 328.372 2.290 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)c1[N+](=O)[O-] ZINC000423975654 466934332 /nfs/dbraw/zinc/93/43/32/466934332.db2.gz LVTLJZGGFIMMMM-CYBMUJFWSA-N 1 0 345.403 2.263 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424001978 466945721 /nfs/dbraw/zinc/94/57/21/466945721.db2.gz CMXPVLNXOOPXKM-UKRRQHHQSA-N 1 0 346.431 2.252 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417854502 466956796 /nfs/dbraw/zinc/95/67/96/466956796.db2.gz QCZRNTZMDQVUOF-NWANDNLSSA-N 1 0 332.404 2.215 20 5 EEBDRO COC1([C@@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1 ZINC000412030529 466970962 /nfs/dbraw/zinc/97/09/62/466970962.db2.gz ZRFVRQSZGKCVKN-GFCCVEGCSA-N 1 0 349.387 2.440 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000417993494 467014835 /nfs/dbraw/zinc/01/48/35/467014835.db2.gz QEZXBDUECFEUFD-UHFFFAOYSA-N 1 0 338.795 2.010 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424309835 467027813 /nfs/dbraw/zinc/02/78/13/467027813.db2.gz RIIBCLWYJPFINL-LBPRGKRZSA-N 1 0 344.433 2.469 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377438998 467058280 /nfs/dbraw/zinc/05/82/80/467058280.db2.gz BQWCSKNJUNRLMQ-UONOGXRCSA-N 1 0 332.404 2.140 20 5 EEBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413054896 467161821 /nfs/dbraw/zinc/16/18/21/467161821.db2.gz PIHHOGMANVUJSF-UHFFFAOYSA-N 1 0 336.314 2.389 20 5 EEBDRO C[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413127957 467175095 /nfs/dbraw/zinc/17/50/95/467175095.db2.gz JTCYNNWIHSSOFG-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000428123752 467206314 /nfs/dbraw/zinc/20/63/14/467206314.db2.gz XVGDBSCVNQJBJQ-UKRRQHHQSA-N 1 0 346.431 2.313 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451008222 467224548 /nfs/dbraw/zinc/22/45/48/467224548.db2.gz WOAYARNCFYAIED-HNNXBMFYSA-N 1 0 328.372 2.031 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000428453196 467235314 /nfs/dbraw/zinc/23/53/14/467235314.db2.gz FGVBPZSVIJBOGV-UKRRQHHQSA-N 1 0 346.431 2.265 20 5 EEBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])o1 ZINC000428546468 467245438 /nfs/dbraw/zinc/24/54/38/467245438.db2.gz NBASQRPYTQULFA-CYBMUJFWSA-N 1 0 331.328 2.007 20 5 EEBDRO Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413518899 467258320 /nfs/dbraw/zinc/25/83/20/467258320.db2.gz RBRACVXDUJWKSO-GFCCVEGCSA-N 1 0 328.372 2.366 20 5 EEBDRO COC[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452034662 467309784 /nfs/dbraw/zinc/30/97/84/467309784.db2.gz FBIDFLDAJOSQFF-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO [NH3+]C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000420184123 467316974 /nfs/dbraw/zinc/31/69/74/467316974.db2.gz IYYJQHFWKXICQA-AWEZNQCLSA-N 1 0 331.376 2.964 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318360 467325042 /nfs/dbraw/zinc/32/50/42/467325042.db2.gz NGZXBJBCXCJYJT-DGCLKSJQSA-N 1 0 341.367 2.384 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000420355093 467375551 /nfs/dbraw/zinc/37/55/51/467375551.db2.gz BQAKTULWPPVYAB-YGSHXTJESA-N 1 0 334.420 2.206 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420380218 467386289 /nfs/dbraw/zinc/38/62/89/467386289.db2.gz YFISKGNJRAODNO-IIYDPXPESA-N 1 0 334.420 2.208 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000420461342 467415319 /nfs/dbraw/zinc/41/53/19/467415319.db2.gz GJGNRHXFEQROAH-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430553977 467438102 /nfs/dbraw/zinc/43/81/02/467438102.db2.gz LXBUKLFOWMKZJM-MLGOLLRUSA-N 1 0 334.420 2.291 20 5 EEBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000408041733 467498962 /nfs/dbraw/zinc/49/89/62/467498962.db2.gz OESWCPYFLCIPDG-CHWSQXEVSA-N 1 0 341.433 2.006 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454709286 467611145 /nfs/dbraw/zinc/61/11/45/467611145.db2.gz HKXGCERQVZQUBS-NWDGAFQWSA-N 1 0 335.408 2.024 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000449388186 467635752 /nfs/dbraw/zinc/63/57/52/467635752.db2.gz OLMJEGBEKCJEDT-CQSZACIVSA-N 1 0 327.812 2.185 20 5 EEBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456264 467647816 /nfs/dbraw/zinc/64/78/16/467647816.db2.gz MFWJFMCHFRTNNE-HZMBPMFUSA-N 1 0 346.330 2.337 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC1CC[NH+](CCO)CC1 ZINC000450312012 467823826 /nfs/dbraw/zinc/82/38/26/467823826.db2.gz KIISGBRXQQAMMB-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000458459063 467838606 /nfs/dbraw/zinc/83/86/06/467838606.db2.gz PHIQXBHPCOHWNQ-OAHLLOKOSA-N 1 0 334.420 2.261 20 5 EEBDRO COc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450587970 467874841 /nfs/dbraw/zinc/87/48/41/467874841.db2.gz AMWJRLQBXCJSFK-LLVKDONJSA-N 1 0 327.356 2.001 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000497203371 467883111 /nfs/dbraw/zinc/88/31/11/467883111.db2.gz RJYITOOIIURDOU-NEPJUHHUSA-N 1 0 334.376 2.481 20 5 EEBDRO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)C1 ZINC000517016708 468065457 /nfs/dbraw/zinc/06/54/57/468065457.db2.gz GOGARZLZWSRYBF-TZMCWYRMSA-N 1 0 343.387 2.204 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@H](C)C1 ZINC000532240655 468105298 /nfs/dbraw/zinc/10/52/98/468105298.db2.gz VEOLJJYAJDOANE-UONOGXRCSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@H](C)C1 ZINC000532530739 468123142 /nfs/dbraw/zinc/12/31/42/468123142.db2.gz MHFBCYZADIEQIF-UONOGXRCSA-N 1 0 334.420 2.243 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000567726711 468196386 /nfs/dbraw/zinc/19/63/86/468196386.db2.gz SMKUIRLGJNPRPX-CGTJXYLNSA-N 1 0 344.415 2.326 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)C1 ZINC000590456374 468261229 /nfs/dbraw/zinc/26/12/29/468261229.db2.gz ARHIMNAOQVLYJG-KRWDZBQOSA-N 1 0 328.372 2.244 20 5 EEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201693 468511327 /nfs/dbraw/zinc/51/13/27/468511327.db2.gz PGPZXFMAUZPWKO-STQMWFEESA-N 1 0 347.371 2.070 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594217081 468516217 /nfs/dbraw/zinc/51/62/17/468516217.db2.gz OWHSDBYPZWQSHB-IAGOWNOFSA-N 1 0 346.431 2.453 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000600316285 468531207 /nfs/dbraw/zinc/53/12/07/468531207.db2.gz YXFOAINGGGOKAU-CQSZACIVSA-N 1 0 344.415 2.398 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000569724332 468534890 /nfs/dbraw/zinc/53/48/90/468534890.db2.gz VBKSDHZFVVWRNY-RYUDHWBXSA-N 1 0 339.417 2.015 20 5 EEBDRO CNc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594418833 468579727 /nfs/dbraw/zinc/57/97/27/468579727.db2.gz MFMHRGDZZQDXLU-KBPBESRZSA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000594501094 468610258 /nfs/dbraw/zinc/61/02/58/468610258.db2.gz HQLJSGGHCOMVOX-GOSISDBHSA-N 1 0 333.432 2.370 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594515710 468613485 /nfs/dbraw/zinc/61/34/85/468613485.db2.gz PMCQPRISEWLFHX-BCNIOPEESA-N 1 0 327.388 2.274 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597698166 468642842 /nfs/dbraw/zinc/64/28/42/468642842.db2.gz GKLFJGJNKGJNKA-JOYOIKCWSA-N 1 0 343.330 2.361 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1C ZINC000597712074 468648305 /nfs/dbraw/zinc/64/83/05/468648305.db2.gz ZPATXAMGAAFYBK-SFHVURJKSA-N 1 0 347.415 2.470 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000597716649 468649124 /nfs/dbraw/zinc/64/91/24/468649124.db2.gz RCXMAZOWBAWHNA-SFHVURJKSA-N 1 0 331.416 2.472 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000570661753 468672543 /nfs/dbraw/zinc/67/25/43/468672543.db2.gz JZZJYCOWDLVSBI-HTWSVDAQSA-N 1 0 344.415 2.468 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332323 468678697 /nfs/dbraw/zinc/67/86/97/468678697.db2.gz WNPQQAPSSNRWLB-UKRRQHHQSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597854645 468694216 /nfs/dbraw/zinc/69/42/16/468694216.db2.gz KMMRZEWOCWCZOJ-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554079 468729646 /nfs/dbraw/zinc/72/96/46/468729646.db2.gz BRRAKALUKHQLNQ-GJZGRUSLSA-N 1 0 346.431 2.245 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000595043651 468747588 /nfs/dbraw/zinc/74/75/88/468747588.db2.gz XUXSDHXYUNPGIW-AEGPPILISA-N 1 0 335.404 2.117 20 5 EEBDRO Cc1ccc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c([N+](=O)[O-])c1 ZINC000601177641 468772365 /nfs/dbraw/zinc/77/23/65/468772365.db2.gz YOYLPZBDFGMBQP-HNNXBMFYSA-N 1 0 332.404 2.010 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595219935 468787042 /nfs/dbraw/zinc/78/70/42/468787042.db2.gz CLXLSARXXQFYHM-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598265961 468811887 /nfs/dbraw/zinc/81/18/87/468811887.db2.gz WTOROEWJVFVGSG-NSHDSACASA-N 1 0 338.383 2.166 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595345978 468819640 /nfs/dbraw/zinc/81/96/40/468819640.db2.gz RPUFZZWHYLZJGS-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CCOC(=O)c1ccnc(NCc2ccccc2C[NH2+]C)c1[N+](=O)[O-] ZINC000593234309 468912022 /nfs/dbraw/zinc/91/20/22/468912022.db2.gz DRRVAKDHUTVVCN-UHFFFAOYSA-N 1 0 344.371 2.498 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000598613137 468933192 /nfs/dbraw/zinc/93/31/92/468933192.db2.gz GECIAFUXSRDABX-GFCCVEGCSA-N 1 0 343.449 2.219 20 5 EEBDRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000598665196 468951270 /nfs/dbraw/zinc/95/12/70/468951270.db2.gz MCENVPIPVAVKPK-GFCCVEGCSA-N 1 0 343.387 2.703 20 5 EEBDRO Cn1c2cc(NCC3([NH+](C)C)CCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585703181 469018062 /nfs/dbraw/zinc/01/80/62/469018062.db2.gz JSMXHHFZEQATGK-UHFFFAOYSA-N 1 0 347.419 2.072 20 5 EEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000610704522 469043903 /nfs/dbraw/zinc/04/39/03/469043903.db2.gz ZYGOFVHUUSBBIF-AWEZNQCLSA-N 1 0 346.387 2.262 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593706948 469103504 /nfs/dbraw/zinc/10/35/04/469103504.db2.gz JPDNNQLIFJRIPX-SWLSCSKDSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000602829202 469103808 /nfs/dbraw/zinc/10/38/08/469103808.db2.gz RCDXGYHYZBIRLY-AWEZNQCLSA-N 1 0 338.795 2.466 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000602843060 469110710 /nfs/dbraw/zinc/11/07/10/469110710.db2.gz YOVBOHKCIXGBAL-ZDUSSCGKSA-N 1 0 347.394 2.450 20 5 EEBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1C ZINC000602004497 469140391 /nfs/dbraw/zinc/14/03/91/469140391.db2.gz DYGQBPCLUHSHEZ-UHFFFAOYSA-N 1 0 333.344 2.018 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([NH2+]CCO)CC3)o2)cc1 ZINC000602019575 469147993 /nfs/dbraw/zinc/14/79/93/469147993.db2.gz HBODLWGDBUOXNE-UHFFFAOYSA-N 1 0 345.399 2.401 20 5 EEBDRO CC[C@@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000602925452 469167355 /nfs/dbraw/zinc/16/73/55/469167355.db2.gz VWUOHGPCMNMHBU-HZPDHXFCSA-N 1 0 336.367 2.206 20 5 EEBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000573831520 469215658 /nfs/dbraw/zinc/21/56/58/469215658.db2.gz BFIGSHVAQUQLJK-QGZVFWFLSA-N 1 0 340.383 2.423 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573834833 469217818 /nfs/dbraw/zinc/21/78/18/469217818.db2.gz DWXQRXVDNXSHCT-WMZOPIPTSA-N 1 0 346.431 2.257 20 5 EEBDRO COC(=O)C1CC[NH+](CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611411464 469244275 /nfs/dbraw/zinc/24/42/75/469244275.db2.gz CIHJZVUNHVTDPC-UHFFFAOYSA-N 1 0 327.406 2.343 20 5 EEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588776 469301320 /nfs/dbraw/zinc/30/13/20/469301320.db2.gz KLLKTYUHPSPGMZ-GXTWGEPZSA-N 1 0 338.408 2.091 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602431026 469312994 /nfs/dbraw/zinc/31/29/94/469312994.db2.gz BBZMOGHKXJBKKX-VIFPVBQESA-N 1 0 330.182 2.070 20 5 EEBDRO O=[N+]([O-])c1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)c(F)c1 ZINC000603223927 469315069 /nfs/dbraw/zinc/31/50/69/469315069.db2.gz MGUZPBRUQUUOQW-UHFFFAOYSA-N 1 0 333.367 2.402 20 5 EEBDRO Cn1ccnc1[C@@H](C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602474722 469332123 /nfs/dbraw/zinc/33/21/23/469332123.db2.gz RKUKETNFEAUIIF-XJKSGUPXSA-N 1 0 342.403 2.361 20 5 EEBDRO COC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000616008134 469352907 /nfs/dbraw/zinc/35/29/07/469352907.db2.gz NVMXCSAYCDBNPN-UONOGXRCSA-N 1 0 338.408 2.060 20 5 EEBDRO CCC[C@@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557572 469360333 /nfs/dbraw/zinc/36/03/33/469360333.db2.gz LEZWXGLQRIUTME-AWEZNQCLSA-N 1 0 336.436 2.347 20 5 EEBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000603399441 469377178 /nfs/dbraw/zinc/37/71/78/469377178.db2.gz ASNUSBFYRFDSAE-NSHDSACASA-N 1 0 340.811 2.333 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCOC1 ZINC000602610389 469383678 /nfs/dbraw/zinc/38/36/78/469383678.db2.gz ZZJCSRXHPLKLKA-UONOGXRCSA-N 1 0 334.420 2.363 20 5 EEBDRO CCc1nn(C)c(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000603414688 469387210 /nfs/dbraw/zinc/38/72/10/469387210.db2.gz AKROHXIOQJFRSG-GJZGRUSLSA-N 1 0 341.415 2.354 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3c[nH]nc3C2)n1 ZINC000618571440 469393327 /nfs/dbraw/zinc/39/33/27/469393327.db2.gz QISVHTCLFVXBSW-VNHYZAJKSA-N 1 0 330.392 2.145 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619578443 469644275 /nfs/dbraw/zinc/64/42/75/469644275.db2.gz IDECMKQOCOEZMI-NSHDSACASA-N 1 0 331.376 2.027 20 5 EEBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000609287697 469912465 /nfs/dbraw/zinc/91/24/65/469912465.db2.gz SKLDFAQTKHFDKJ-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609556968 469939340 /nfs/dbraw/zinc/93/93/40/469939340.db2.gz HEUSAPYFGFWADE-OAHLLOKOSA-N 1 0 334.420 2.309 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCn3cncn3)cs2)c1 ZINC000609598518 469946624 /nfs/dbraw/zinc/94/66/24/469946624.db2.gz UDCGTVMQJQAXNM-UHFFFAOYSA-N 1 0 344.400 2.490 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609843377 469964763 /nfs/dbraw/zinc/96/47/63/469964763.db2.gz APOWSAHXVDYXHO-NSHDSACASA-N 1 0 336.392 2.455 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610069403 469978103 /nfs/dbraw/zinc/97/81/03/469978103.db2.gz GQKSXFFHSOJUJR-HNNXBMFYSA-N 1 0 347.415 2.090 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595633832 485607240 /nfs/dbraw/zinc/60/72/40/485607240.db2.gz AQSLZPATTPIPBA-BARDWOONSA-N 1 0 347.415 2.323 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000600825360 485629921 /nfs/dbraw/zinc/62/99/21/485629921.db2.gz 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CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246681020 535519444 /nfs/dbraw/zinc/51/94/44/535519444.db2.gz CFFHNZZNWHDDGB-WMLDXEAASA-N 1 0 349.431 2.462 20 5 EEBDRO CCC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000728903140 576558556 /nfs/dbraw/zinc/55/85/56/576558556.db2.gz TUIRLCYRGQLHDV-UHFFFAOYSA-N 1 0 332.360 2.195 20 5 EEBDRO O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc2nccn2c1 ZINC000732349764 577173429 /nfs/dbraw/zinc/17/34/29/577173429.db2.gz HLNAIUOBVUUFGM-UHFFFAOYSA-N 1 0 327.296 2.478 20 5 EEBDRO CC(C)N1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000773004784 577310018 /nfs/dbraw/zinc/31/00/18/577310018.db2.gz HFISLMPKSMFEBL-HNNXBMFYSA-N 1 0 346.431 2.163 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000776274466 577456279 /nfs/dbraw/zinc/45/62/79/577456279.db2.gz IAGDUVAMFBNXMB-FZMZJTMJSA-N 1 0 327.344 2.022 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCn2cncc2C1 ZINC000750906512 577744971 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331.416 2.014 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891667639 676762725 /nfs/dbraw/zinc/76/27/25/676762725.db2.gz HCSUMPQZWFIZPI-ZFWWWQNUSA-N 1 0 338.795 2.332 20 5 EEBDRO CS(=O)(=O)c1ccccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896813880 685268656 /nfs/dbraw/zinc/26/86/56/685268656.db2.gz DFWQJAMOVZQYDL-UHFFFAOYSA-N 1 0 348.424 2.373 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000892479401 680055742 /nfs/dbraw/zinc/05/57/42/680055742.db2.gz AFUVQPCUKJVPRC-UHFFFAOYSA-N 1 0 339.465 2.492 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccoc1 ZINC000983166751 681935089 /nfs/dbraw/zinc/93/50/89/681935089.db2.gz JUZNGPCXENCGIN-CTYIDZIISA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cncs1 ZINC000983262036 682135192 /nfs/dbraw/zinc/13/51/92/682135192.db2.gz HFUMMEYRRFGHSH-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] 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Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000876546771 1199665340 /nfs/dbraw/zinc/66/53/40/1199665340.db2.gz VHXLXEOKENYBQY-UHFFFAOYSA-N 1 0 346.475 2.425 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000810847703 1199777291 /nfs/dbraw/zinc/77/72/91/1199777291.db2.gz PTQXRBPCCNSZKA-GHMZBOCLSA-N 1 0 334.328 2.107 20 5 EEBDRO CN1CC[NH+](C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000877747390 1200072800 /nfs/dbraw/zinc/07/28/00/1200072800.db2.gz JNUFLCDSVFMJOZ-GQCTYLIASA-N 1 0 344.459 2.320 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878650162 1200598641 /nfs/dbraw/zinc/59/86/41/1200598641.db2.gz PQAMCLXHGBBHCA-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO COc1ncc([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001170679958 1200774169 /nfs/dbraw/zinc/77/41/69/1200774169.db2.gz NOTZWYMFYNQMCO-JTQLQIEISA-N 1 0 340.343 2.266 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CC=CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121224405 1201603411 /nfs/dbraw/zinc/60/34/11/1201603411.db2.gz OFXVOCYGWZJXRI-HNNXBMFYSA-N 1 0 327.388 2.157 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cn(CC4C[NH2+]C4)nn3)cs2)cc1 ZINC000887404040 1204298075 /nfs/dbraw/zinc/29/80/75/1204298075.db2.gz SURZOQCINOCCFG-UHFFFAOYSA-N 1 0 342.384 2.196 20 5 EEBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931656139 1207434332 /nfs/dbraw/zinc/43/43/32/1207434332.db2.gz NNWJHUGHGHRTMJ-NSHDSACASA-N 1 0 331.294 2.228 20 5 EEBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000932971495 1207708521 /nfs/dbraw/zinc/70/85/21/1207708521.db2.gz MLTAPAAKHKDAOY-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO O=C(N1CCOCC1)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000934057465 1207892458 /nfs/dbraw/zinc/89/24/58/1207892458.db2.gz KMQWVNJMYGPJCV-UHFFFAOYSA-N 1 0 347.415 2.246 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000934080285 1207899007 /nfs/dbraw/zinc/89/90/07/1207899007.db2.gz UKURFEMMQVQNAA-ZOBUZTSGSA-N 1 0 349.456 2.252 20 5 EEBDRO Cc1ccc(N(C)CCCNC(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001095769988 1208501665 /nfs/dbraw/zinc/50/16/65/1208501665.db2.gz UGIBWVNTQPZHIX-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(C)CC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080071371 1210788948 /nfs/dbraw/zinc/78/89/48/1210788948.db2.gz VOBFCMUWRLWWAE-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000796335417 1213861965 /nfs/dbraw/zinc/86/19/65/1213861965.db2.gz SRAQOSDKHIMHDP-MRVWCRGKSA-N 1 0 348.321 2.121 20 5 EEBDRO CCN(CCCNC(=O)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001095892117 1215353893 /nfs/dbraw/zinc/35/38/93/1215353893.db2.gz OAIIGUCECUVVOJ-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[N@H+](CCO)Cc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398347 1235690772 /nfs/dbraw/zinc/69/07/72/1235690772.db2.gz PVAFXQPYGFPXOI-UHFFFAOYSA-N 1 0 346.387 2.274 20 5 EEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000902541119 1237836678 /nfs/dbraw/zinc/83/66/78/1237836678.db2.gz FLTQYRRTQXBGBJ-ZDUSSCGKSA-N 1 0 348.403 2.122 20 5 EEBDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000802656249 1237932576 /nfs/dbraw/zinc/93/25/76/1237932576.db2.gz MUUUSIRRKLWDPG-CYBMUJFWSA-N 1 0 339.779 2.218 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ccon1 ZINC001001209354 1241827922 /nfs/dbraw/zinc/82/79/22/1241827922.db2.gz VPEPMEWIVJRRBU-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO O=C(CCc1c[nH]cn1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097110114 1243714897 /nfs/dbraw/zinc/71/48/97/1243714897.db2.gz WYADNGWXISSZQL-HAQNSBGRSA-N 1 0 347.350 2.149 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccccc1Cl)C2 ZINC001072725942 1255329630 /nfs/dbraw/zinc/32/96/30/1255329630.db2.gz WFUSSVLBMQNYKX-UKRRQHHQSA-N 1 0 349.818 2.040 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100751015 1259213271 /nfs/dbraw/zinc/21/32/71/1259213271.db2.gz DJHVXVHKMWUHAF-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H](CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000853824965 1292474770 /nfs/dbraw/zinc/47/47/70/1292474770.db2.gz AOXONCKBVNMTQH-JTQLQIEISA-N 1 0 331.319 2.023 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001215718492 1296977175 /nfs/dbraw/zinc/97/71/75/1296977175.db2.gz USWHPGDTLXDMDX-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001217968173 1297538989 /nfs/dbraw/zinc/53/89/89/1297538989.db2.gz PCMSYTKXVXQQEK-HQJQHLMTSA-N 1 0 348.140 2.186 20 5 EEBDRO Cc1nc(O[C@H]2C[NH2+]CC[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001218481991 1297675769 /nfs/dbraw/zinc/67/57/69/1297675769.db2.gz BNEQGEAOXZBJIK-HQJQHLMTSA-N 1 0 330.182 2.438 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1COC(=O)C1 ZINC001220296412 1298346761 /nfs/dbraw/zinc/34/67/61/1298346761.db2.gz ORYXZJYCNKDAKK-BEFAXECRSA-N 1 0 348.402 2.295 20 5 EEBDRO COCC[NH+]1CCC(OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001222929630 1299923592 /nfs/dbraw/zinc/92/35/92/1299923592.db2.gz QATBGFPVFFJDIX-UHFFFAOYSA-N 1 0 335.360 2.363 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243037 1302170292 /nfs/dbraw/zinc/17/02/92/1302170292.db2.gz SNOUDFZRHQAZIC-LBPRGKRZSA-N 1 0 332.360 2.495 20 5 EEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001228468257 1302275944 /nfs/dbraw/zinc/27/59/44/1302275944.db2.gz LTXPAIIKLBBENJ-CQSZACIVSA-N 1 0 349.435 2.099 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229946627 1302995171 /nfs/dbraw/zinc/99/51/71/1302995171.db2.gz QXZSECLGSKJWJE-SECBINFHSA-N 1 0 348.140 2.282 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CCC1 ZINC001111842332 1303981858 /nfs/dbraw/zinc/98/18/58/1303981858.db2.gz IVWGCEPKKRATFX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO COc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000782206485 1303989527 /nfs/dbraw/zinc/98/95/27/1303989527.db2.gz FXOQIRSRWXWHBH-UHFFFAOYSA-N 1 0 340.449 2.478 20 5 EEBDRO CC(C)=CC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001115392149 1305034333 /nfs/dbraw/zinc/03/43/33/1305034333.db2.gz MAQIKESXOHBGSD-UHFFFAOYSA-N 1 0 349.435 2.203 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(OC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001234879276 1305045021 /nfs/dbraw/zinc/04/50/21/1305045021.db2.gz NIVFFJWXOQEUOU-UHFFFAOYSA-N 1 0 330.344 2.441 20 5 EEBDRO CCSCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155081321 1317446709 /nfs/dbraw/zinc/44/67/09/1317446709.db2.gz HPAFVECOUZZBCX-UHFFFAOYSA-N 1 0 325.434 2.334 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[C@H]([NH3+])[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584301 1310348469 /nfs/dbraw/zinc/34/84/69/1310348469.db2.gz IYRRXTJXXKZBHV-CQDKDKBSSA-N 1 0 325.384 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@@H]2CCC[NH2+]2)c1F ZINC001246888178 1310460749 /nfs/dbraw/zinc/46/07/49/1310460749.db2.gz GUBDMPCRNHPYCU-RYUDHWBXSA-N 1 0 325.384 2.357 20 5 EEBDRO NC1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]CC1 ZINC001247965459 1310800545 /nfs/dbraw/zinc/80/05/45/1310800545.db2.gz IFLQFKKASMOPQG-UHFFFAOYSA-N 1 0 346.394 2.370 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000830355630 1314534738 /nfs/dbraw/zinc/53/47/38/1314534738.db2.gz LCCIQCCXVIXNBQ-DLBZAZTESA-N 1 0 334.347 2.481 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841027099 1315458036 /nfs/dbraw/zinc/45/80/36/1315458036.db2.gz WGUKYIQNPPUUPJ-RNCFNFMXSA-N 1 0 326.194 2.151 20 5 EEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000842920903 1315798741 /nfs/dbraw/zinc/79/87/41/1315798741.db2.gz CDBRKCQSQRANIO-UHFFFAOYSA-N 1 0 335.813 2.046 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000843061912 1315832278 /nfs/dbraw/zinc/83/22/78/1315832278.db2.gz LAOBMVWBFGCSPI-DHSIGJKJSA-N 1 0 346.383 2.046 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094733 1315840458 /nfs/dbraw/zinc/84/04/58/1315840458.db2.gz LGAKICWVJSFOFS-SJLPKXTDSA-N 1 0 330.384 2.130 20 5 EEBDRO CCc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155102017 1317457681 /nfs/dbraw/zinc/45/76/81/1317457681.db2.gz NNDJHLVZGBEBSI-CHWSQXEVSA-N 1 0 341.415 2.446 20 5 EEBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001155254793 1317523368 /nfs/dbraw/zinc/52/33/68/1317523368.db2.gz OVAFFQTYFWIZEV-MRVPVSSYSA-N 1 0 333.735 2.240 20 5 EEBDRO [NH3+]CC1CN([C@@H]2CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001155371603 1317568741 /nfs/dbraw/zinc/56/87/41/1317568741.db2.gz BWBSLKRFOFUDAC-CQSZACIVSA-N 1 0 341.415 2.002 20 5 EEBDRO CC(C)C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254466545 1318081171 /nfs/dbraw/zinc/08/11/71/1318081171.db2.gz BNIYOASDYVUKGX-MRXNPFEDSA-N 1 0 334.420 2.053 20 5 EEBDRO CC[N@H+](CCC(=O)OC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480380 1318083643 /nfs/dbraw/zinc/08/36/43/1318083643.db2.gz FCIDBUNWDFRRBA-UHFFFAOYSA-N 1 0 335.404 2.449 20 5 EEBDRO C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476996 1318084871 /nfs/dbraw/zinc/08/48/71/1318084871.db2.gz YWVUQJCWNUUZRR-RDTXWAMCSA-N 1 0 332.448 2.493 20 5 EEBDRO COC(=O)c1ccnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254537409 1318113943 /nfs/dbraw/zinc/11/39/43/1318113943.db2.gz DIELLRSVZKXZGO-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001254563624 1318122461 /nfs/dbraw/zinc/12/24/61/1318122461.db2.gz ZRFUOXQAEQAHDN-RDJZCZTQSA-N 1 0 333.432 2.322 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC001254578367 1318128718 /nfs/dbraw/zinc/12/87/18/1318128718.db2.gz KLHLPXRJBGRIFI-MRXNPFEDSA-N 1 0 340.383 2.473 20 5 EEBDRO O=C([C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCC1 ZINC001254597422 1318138711 /nfs/dbraw/zinc/13/87/11/1318138711.db2.gz DLVYLLFSVNMNSQ-YJBOKZPZSA-N 1 0 343.427 2.396 20 5 EEBDRO C[NH+]1CCC(CNC(=S)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254794669 1318189193 /nfs/dbraw/zinc/18/91/93/1318189193.db2.gz YHKYGPPBZRXILL-UHFFFAOYSA-N 1 0 334.445 2.127 20 5 EEBDRO Cc1nscc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156816932 1318223584 /nfs/dbraw/zinc/22/35/84/1318223584.db2.gz SXTGUGUMHZKWKM-UHFFFAOYSA-N 1 0 340.430 2.331 20 5 EEBDRO COc1cc(N2CCC(n3cnc(C[NH3+])c3)CC2)ccc1[N+](=O)[O-] ZINC001256082551 1318641116 /nfs/dbraw/zinc/64/11/16/1318641116.db2.gz HVFZHOCTWWWPFF-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157447473 1318643920 /nfs/dbraw/zinc/64/39/20/1318643920.db2.gz FHGWCYZFVREKRF-KCJUWKMLSA-N 1 0 325.731 2.303 20 5 EEBDRO CC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001157657509 1318779406 /nfs/dbraw/zinc/77/94/06/1318779406.db2.gz DWZNILJZGPRWHT-UHFFFAOYSA-N 1 0 335.364 2.353 20 5 EEBDRO [NH3+]C[C@]1(F)CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001157817262 1318881628 /nfs/dbraw/zinc/88/16/28/1318881628.db2.gz SWYADMBZSOMQON-OAHLLOKOSA-N 1 0 335.314 2.068 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC4(C3)CCC[NH2+]C4)nn2)ccc1F ZINC001159025663 1319564642 /nfs/dbraw/zinc/56/46/42/1319564642.db2.gz ZTAVMULNICCSBZ-UHFFFAOYSA-N 1 0 343.362 2.381 20 5 EEBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159678091 1319946207 /nfs/dbraw/zinc/94/62/07/1319946207.db2.gz OAYUSQVODBWNTI-OLZOCXBDSA-N 1 0 328.803 2.429 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001160468859 1320170870 /nfs/dbraw/zinc/17/08/70/1320170870.db2.gz JUYNBKDBAIYDPT-CNDDSTCGSA-N 1 0 334.376 2.204 20 5 EEBDRO COc1cccc(C2(Nc3ccc([N+](=O)[O-])c(N)n3)CC[NH2+]CC2)c1 ZINC001161996663 1320712806 /nfs/dbraw/zinc/71/28/06/1320712806.db2.gz QLRKZXICOAWIHH-UHFFFAOYSA-N 1 0 343.387 2.271 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001162690728 1320931803 /nfs/dbraw/zinc/93/18/03/1320931803.db2.gz WNIYQZRFCKIRRH-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2COCCC23C[NH2+]C3)c(C(F)(F)F)c1 ZINC001163071580 1321028599 /nfs/dbraw/zinc/02/85/99/1321028599.db2.gz DZGCNYKYXMVGOF-LBPRGKRZSA-N 1 0 331.294 2.404 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccnc21 ZINC001163174939 1321059342 /nfs/dbraw/zinc/05/93/42/1321059342.db2.gz BXDKFVMHTRRFNI-HSMVNMDESA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163219741 1321069926 /nfs/dbraw/zinc/06/99/26/1321069926.db2.gz FCYBMUJVFLLPIH-QMMMGPOBSA-N 1 0 326.765 2.200 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCCN(Cc3ccncc3)CC2)c(F)c1 ZINC001163827959 1321227540 /nfs/dbraw/zinc/22/75/40/1321227540.db2.gz ZZUUBXGPYYOCAD-UHFFFAOYSA-N 1 0 331.351 2.236 20 5 EEBDRO Cc1ccccc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490977 1321394464 /nfs/dbraw/zinc/39/44/64/1321394464.db2.gz VQSFTKMUOPKTLO-HZPDHXFCSA-N 1 0 331.416 2.036 20 5 EEBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165274488 1321489785 /nfs/dbraw/zinc/48/97/85/1321489785.db2.gz BIKHOGDNOCFVHD-NHYWBVRUSA-N 1 0 348.790 2.364 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001263200827 1322442809 /nfs/dbraw/zinc/44/28/09/1322442809.db2.gz RTXJXCZPOQYRQY-OAHLLOKOSA-N 1 0 327.384 2.464 20 5 EEBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263251113 1322448434 /nfs/dbraw/zinc/44/84/34/1322448434.db2.gz AQTPXZJBEOVUAT-OAHLLOKOSA-N 1 0 346.431 2.457 20 5 EEBDRO O=C(NCC1CC1)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001307550518 1331540912 /nfs/dbraw/zinc/54/09/12/1331540912.db2.gz QJEFGPJJYWXOSW-MRXNPFEDSA-N 1 0 347.415 2.057 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001318413029 1332528173 /nfs/dbraw/zinc/52/81/73/1332528173.db2.gz KFUCILODLCISCQ-GXTWGEPZSA-N 1 0 341.433 2.283 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001325373674 1333874843 /nfs/dbraw/zinc/87/48/43/1333874843.db2.gz YCAOIKKYYXLDLZ-ZFWWWQNUSA-N 1 0 334.420 2.482 20 5 EEBDRO CC[C@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]C1 ZINC001326320329 1334067825 /nfs/dbraw/zinc/06/78/25/1334067825.db2.gz QVZLQKLDJLOIQB-INIZCTEOSA-N 1 0 329.360 2.313 20 5 EEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001327601167 1334320786 /nfs/dbraw/zinc/32/07/86/1334320786.db2.gz HKCYBLZLSIXNJM-AWEZNQCLSA-N 1 0 343.305 2.022 20 5 EEBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001330929849 1334928859 /nfs/dbraw/zinc/92/88/59/1334928859.db2.gz BLGYXEYZCZADBW-AWEZNQCLSA-N 1 0 347.396 2.452 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001332716649 1335889758 /nfs/dbraw/zinc/88/97/58/1335889758.db2.gz HXGUAOZUHGBPLA-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO Cc1cccc([C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001333007161 1335946292 /nfs/dbraw/zinc/94/62/92/1335946292.db2.gz WNQDDACWLWQUNP-MRXNPFEDSA-N 1 0 330.388 2.470 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001333710541 1336111835 /nfs/dbraw/zinc/11/18/35/1336111835.db2.gz LKAMSYOOILRWGY-STQMWFEESA-N 1 0 338.408 2.300 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001337030895 1336633419 /nfs/dbraw/zinc/63/34/19/1336633419.db2.gz XCHUVFYYBZLRBM-VNHYZAJKSA-N 1 0 332.404 2.092 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001337478232 1336707221 /nfs/dbraw/zinc/70/72/21/1336707221.db2.gz CWVIRWNPRGGUAX-LLVKDONJSA-N 1 0 343.330 2.410 20 5 EEBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001338311646 1336838776 /nfs/dbraw/zinc/83/87/76/1336838776.db2.gz PMDSGQQXXKPGSI-UHFFFAOYSA-N 1 0 347.423 2.029 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001340477315 1337193300 /nfs/dbraw/zinc/19/33/00/1337193300.db2.gz OYHYBSYGTIBYFQ-SECBINFHSA-N 1 0 344.209 2.461 20 5 EEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341277494 1337288769 /nfs/dbraw/zinc/28/87/69/1337288769.db2.gz OCCJLJPPXXVLLC-CMPLNLGQSA-N 1 0 331.397 2.491 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584159 1338724635 /nfs/dbraw/zinc/72/46/35/1338724635.db2.gz PKSBMIJLTHCZQG-UHFFFAOYSA-N 1 0 345.346 2.367 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001357662224 1339007396 /nfs/dbraw/zinc/00/73/96/1339007396.db2.gz ZIWDDOZRTJYMAH-JTQLQIEISA-N 1 0 329.809 2.073 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580258799 1344502031 /nfs/dbraw/zinc/50/20/31/1344502031.db2.gz YIFLSVIBTLTSAO-WCBMZHEXSA-N 1 0 331.294 2.471 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580609474 1344542880 /nfs/dbraw/zinc/54/28/80/1344542880.db2.gz NVINIWTWSANUKI-IJLUTSLNSA-N 1 0 328.372 2.194 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC001580699670 1344551829 /nfs/dbraw/zinc/55/18/29/1344551829.db2.gz WJYAMGXFUMSODR-QGZVFWFLSA-N 1 0 325.368 2.141 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589136905 1348964032 /nfs/dbraw/zinc/96/40/32/1348964032.db2.gz VCOHUZYUZQTUAG-VIFPVBQESA-N 1 0 349.370 2.199 20 5 EEBDRO C[C@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589972502 1349088018 /nfs/dbraw/zinc/08/80/18/1349088018.db2.gz HHPDPAHTPRXBFD-JTQLQIEISA-N 1 0 325.332 2.021 20 5 EEBDRO C[C@@H]1SCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590337742 1349272961 /nfs/dbraw/zinc/27/29/61/1349272961.db2.gz RSCUEHOQFBXPLR-UWVGGRQHSA-N 1 0 334.405 2.101 20 5 EEBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1-c1nn[nH]n1 ZINC001593465213 1349802767 /nfs/dbraw/zinc/80/27/67/1349802767.db2.gz JVAKLANXBLJERE-JSGCOSHPSA-N 1 0 343.391 2.204 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H]1[NH3+] ZINC000818003922 1367408738 /nfs/dbraw/zinc/40/87/38/1367408738.db2.gz HOHYDSFJXZLRLY-IUODEOHRSA-N 1 0 332.404 2.004 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861036356 1369485351 /nfs/dbraw/zinc/48/53/51/1369485351.db2.gz LPZGMTDPLIIZJW-BBRMVZONSA-N 1 0 336.388 2.352 20 5 EEBDRO COC[C@]1(c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CC[NH2+]C1 ZINC001118102638 1371777223 /nfs/dbraw/zinc/77/72/23/1371777223.db2.gz GOKPOQCYXAFMKJ-INIZCTEOSA-N 1 0 332.360 2.139 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001122260387 1371956229 /nfs/dbraw/zinc/95/62/29/1371956229.db2.gz OMTFKRHNTMMVTK-AWEZNQCLSA-N 1 0 343.383 2.164 20 5 EEBDRO C[C@@H]1C[C@H](CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001576599201 1403589027 /nfs/dbraw/zinc/58/90/27/1403589027.db2.gz QODWPCSTWLSUJW-XNJGSVPQSA-N 1 0 335.404 2.090 20 5 EEBDRO CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]([NH3+])CC ZINC001577500297 1403659779 /nfs/dbraw/zinc/65/97/79/1403659779.db2.gz XQZPSHKJFMTYID-CYBMUJFWSA-N 1 0 332.408 2.437 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001580268428 1403855183 /nfs/dbraw/zinc/85/51/83/1403855183.db2.gz GMVHNLDFJWEJNL-LDYMZIIASA-N 1 0 332.282 2.196 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC001165038091 721907872 /nfs/dbraw/zinc/90/78/72/721907872.db2.gz JNHDQZSCCULOHS-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001167150618 757405885 /nfs/dbraw/zinc/40/58/85/757405885.db2.gz UPZQGWVCXKDCBH-UHFFFAOYSA-N 1 0 345.403 2.351 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CC[NH+](C)C)CCC2)c1 ZINC001111903000 761060371 /nfs/dbraw/zinc/06/03/71/761060371.db2.gz CHVJUBAJJOOSGF-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920444892 770708140 /nfs/dbraw/zinc/70/81/40/770708140.db2.gz BOOMHWJUJGHFLP-SNVBAGLBSA-N 1 0 336.348 2.026 20 5 EEBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846913796 790749719 /nfs/dbraw/zinc/74/97/19/790749719.db2.gz UTXYMEIUONJZCE-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@@H]([NH3+])c1ncc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)s1 ZINC001213208424 781519895 /nfs/dbraw/zinc/51/98/95/781519895.db2.gz XQWLGRPGUXQQBC-RXMQYKEDSA-N 1 0 336.308 2.322 20 5 EEBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000809736370 783311102 /nfs/dbraw/zinc/31/11/02/783311102.db2.gz QUUMLQRIWBGYDV-UHFFFAOYSA-N 1 0 346.343 2.477 20 5 EEBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCCCCC[NH3+])C1=O ZINC000818617698 785304491 /nfs/dbraw/zinc/30/44/91/785304491.db2.gz HPZGCGDONHSADE-KRWDZBQOSA-N 1 0 348.403 2.271 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000818981528 785349897 /nfs/dbraw/zinc/34/98/97/785349897.db2.gz VUXHNQWFELZAMC-OAHLLOKOSA-N 1 0 347.327 2.033 20 5 EEBDRO O=C(CC[NH2+]C[C@@H]1CSCCS1)Nc1ccccc1[N+](=O)[O-] ZINC000819140871 785419684 /nfs/dbraw/zinc/41/96/84/785419684.db2.gz FKKJWNCTJCMASJ-LLVKDONJSA-N 1 0 341.458 2.362 20 5 EEBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819112697 785430160 /nfs/dbraw/zinc/43/01/60/785430160.db2.gz HYLZBRZFOZNDPM-YNEHKIRRSA-N 1 0 326.418 2.208 20 5 EEBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000819129211 785436006 /nfs/dbraw/zinc/43/60/06/785436006.db2.gz DGVLBDBLNNLRHS-MRXNPFEDSA-N 1 0 330.388 2.423 20 5 EEBDRO C[NH+]1CCC2(CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000908499972 785457673 /nfs/dbraw/zinc/45/76/73/785457673.db2.gz VHBSAYWXSXWGCH-UHFFFAOYSA-N 1 0 332.404 2.374 20 5 EEBDRO COc1cc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000820669875 786012099 /nfs/dbraw/zinc/01/20/99/786012099.db2.gz BNWWPHCYSJAKSX-UHFFFAOYSA-N 1 0 335.404 2.213 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107205170 786397193 /nfs/dbraw/zinc/39/71/93/786397193.db2.gz WQSWPZKDSFXOQC-AATRIKPKSA-N 1 0 338.383 2.160 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2C[C@H]3CC[N@H+](C2)[C@H]3C)cc1[N+](=O)[O-] ZINC001170974431 786997077 /nfs/dbraw/zinc/99/70/77/786997077.db2.gz RCEGRPJTDZXWEF-ZOWXZIJZSA-N 1 0 333.388 2.205 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1F ZINC000822794807 787383863 /nfs/dbraw/zinc/38/38/63/787383863.db2.gz UOMFTYBLFMFUEL-LLVKDONJSA-N 1 0 327.331 2.251 20 5 EEBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823598849 787824847 /nfs/dbraw/zinc/82/48/47/787824847.db2.gz MEKANRWFNJVZDE-GOSISDBHSA-N 1 0 343.383 2.373 20 5 EEBDRO O=C(c1cnco1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996851173 787851116 /nfs/dbraw/zinc/85/11/16/787851116.db2.gz HLXDLZFLHYUFOD-UHFFFAOYSA-N 1 0 336.373 2.039 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823949975 787985880 /nfs/dbraw/zinc/98/58/80/787985880.db2.gz AGNRFIPMATUQOG-CQSZACIVSA-N 1 0 335.408 2.419 20 5 EEBDRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000912592212 788252582 /nfs/dbraw/zinc/25/25/82/788252582.db2.gz ZUNXOIWGCMAHKQ-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO CCCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000843989331 788769801 /nfs/dbraw/zinc/76/98/01/788769801.db2.gz NPZIKPVGXJERQZ-LLVKDONJSA-N 1 0 349.416 2.156 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000845481999 789825125 /nfs/dbraw/zinc/82/51/25/789825125.db2.gz DRLSUFYYJDEMQO-IUODEOHRSA-N 1 0 343.786 2.423 20 5 EEBDRO [NH3+]CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccccc21 ZINC001168555910 789956348 /nfs/dbraw/zinc/95/63/48/789956348.db2.gz SNOBUUFEFJOAIE-LLVKDONJSA-N 1 0 338.367 2.422 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2c([nH]1)CCCC2 ZINC001146889681 791562926 /nfs/dbraw/zinc/56/29/26/791562926.db2.gz CMCFMQCQSCYPLL-UHFFFAOYSA-N 1 0 348.428 2.383 20 5 EEBDRO COC[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172903732 791790248 /nfs/dbraw/zinc/79/02/48/791790248.db2.gz ZGEXGNQNRAHEAV-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(CCCF)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001148071211 792134005 /nfs/dbraw/zinc/13/40/05/792134005.db2.gz LDAGEKRJNQQCHV-UHFFFAOYSA-N 1 0 335.379 2.379 20 5 EEBDRO O=C(CCc1ccccc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148825825 792701328 /nfs/dbraw/zinc/70/13/28/792701328.db2.gz MRGBRNOKCCVQQS-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO COc1nc(C)c(N2c3ccccc3OC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171394727 794566981 /nfs/dbraw/zinc/56/69/81/794566981.db2.gz UMTJGAKKGOSRIX-NSHDSACASA-N 1 0 330.344 2.165 20 5 EEBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093978112 795867088 /nfs/dbraw/zinc/86/70/88/795867088.db2.gz XPZIMNBEFFAPRF-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO CC(C)(C(=O)NCCCNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC001094595583 796459841 /nfs/dbraw/zinc/45/98/41/796459841.db2.gz JBFHQBFABGQKGC-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO O=[N+]([O-])c1c(NCC2(c3ccccc3)CC2)ncnc1C1C[NH2+]C1 ZINC001171465564 796566298 /nfs/dbraw/zinc/56/62/98/796566298.db2.gz AKSZCQOBMGGIBD-UHFFFAOYSA-N 1 0 325.372 2.215 20 5 EEBDRO COC(=O)C[C@H]1COCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921765 797152134 /nfs/dbraw/zinc/15/21/34/797152134.db2.gz SKUAAOCYWRNKFW-RDJZCZTQSA-N 1 0 348.399 2.106 20 5 EEBDRO C[C@@]1(O)C[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010379 797196044 /nfs/dbraw/zinc/19/60/44/797196044.db2.gz GLOTXQIVGBGCHU-SXUIPJSXSA-N 1 0 341.358 2.345 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2F)c1F ZINC001173177360 797277440 /nfs/dbraw/zinc/27/74/40/797277440.db2.gz AZWQQSIRDGJJBL-ZMLRMANQSA-N 1 0 330.331 2.390 20 5 EEBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190426 797282170 /nfs/dbraw/zinc/28/21/70/797282170.db2.gz XZDKXMQXXUZCJW-GARJFASQSA-N 1 0 340.351 2.215 20 5 EEBDRO COC(=O)CC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173221850 797303020 /nfs/dbraw/zinc/30/30/20/797303020.db2.gz QMIKLGIIEXJCBQ-ZDUSSCGKSA-N 1 0 336.388 2.228 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212275 797314791 /nfs/dbraw/zinc/31/47/91/797314791.db2.gz YUYDPGPZTORQJN-LLVKDONJSA-N 1 0 332.360 2.230 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001173212035 797314885 /nfs/dbraw/zinc/31/48/85/797314885.db2.gz WEOUQGIQDHKTPM-GFCCVEGCSA-N 1 0 349.412 2.114 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCCC[NH+](C)C)CC2)n1 ZINC001110187680 798132912 /nfs/dbraw/zinc/13/29/12/798132912.db2.gz STVXQNFMPGOLRU-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCc1onc(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150662153 798860638 /nfs/dbraw/zinc/86/06/38/798860638.db2.gz CJBWMLDFMREAFM-UHFFFAOYSA-N 1 0 338.389 2.035 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001178415214 799468717 /nfs/dbraw/zinc/46/87/17/799468717.db2.gz GGEBJCNESPLYCK-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO O=C(NCCCCCC[NH2+]C/C(Cl)=C/Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458656 799484148 /nfs/dbraw/zinc/48/41/48/799484148.db2.gz QFGQZPYMJIMBJG-NRCZCXPTSA-N 1 0 338.235 2.237 20 5 EEBDRO O=C(NCCCCCC[NH2+]CCc1cccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463722 799486657 /nfs/dbraw/zinc/48/66/57/799486657.db2.gz JNAUCNGXGQGIKR-HUUCEWRRSA-N 1 0 339.461 2.222 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000922325562 800581817 /nfs/dbraw/zinc/58/18/17/800581817.db2.gz GTQIQLHMFFDXIE-KRWDZBQOSA-N 1 0 349.431 2.353 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001086318024 802732202 /nfs/dbraw/zinc/73/22/02/802732202.db2.gz PFKFIDUMEGEYOT-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1nocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086466217 803033035 /nfs/dbraw/zinc/03/30/35/803033035.db2.gz QRJWPQNDAQTLNI-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168993548 803560674 /nfs/dbraw/zinc/56/06/74/803560674.db2.gz NCMZWTTUIVMPCY-OIISXLGYSA-N 1 0 333.432 2.305 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccn1 ZINC001168997762 803563272 /nfs/dbraw/zinc/56/32/72/803563272.db2.gz FOLLVPMQNTXEPW-YHUYYLMFSA-N 1 0 346.431 2.158 20 5 EEBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998273 803563994 /nfs/dbraw/zinc/56/39/94/803563994.db2.gz KSZAHODSFHKDDX-TUVASFSCSA-N 1 0 325.453 2.495 20 5 EEBDRO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006330 803567940 /nfs/dbraw/zinc/56/79/40/803567940.db2.gz XNSRXSROGONUSH-IGQOVBAYSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169007465 803568504 /nfs/dbraw/zinc/56/85/04/803568504.db2.gz OCRZHSKCRBBWJT-BFHYXJOUSA-N 1 0 339.436 2.421 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)C1 ZINC001169027133 803575247 /nfs/dbraw/zinc/57/52/47/803575247.db2.gz ZXGLKZGICUXDOP-SFNKJDCFSA-N 1 0 345.443 2.269 20 5 EEBDRO O=C(c1ccccc1F)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169029045 803576260 /nfs/dbraw/zinc/57/62/60/803576260.db2.gz UCCYITUCJSALJS-ZIAGYGMSSA-N 1 0 335.379 2.029 20 5 EEBDRO COc1cccc(CN2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036544 803580089 /nfs/dbraw/zinc/58/00/89/803580089.db2.gz GKYYZNHXIMBODB-DLBZAZTESA-N 1 0 333.432 2.258 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(Cl)nn3)CC2)C1 ZINC001169039700 803582272 /nfs/dbraw/zinc/58/22/72/803582272.db2.gz SMOPVPULMKRWRQ-NWDGAFQWSA-N 1 0 340.811 2.419 20 5 EEBDRO O=C1N[C@H](c2ccccc2)C12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023309 803589074 /nfs/dbraw/zinc/58/90/74/803589074.db2.gz FHOIUHXYHIZQRD-USXIJHARSA-N 1 0 343.427 2.385 20 5 EEBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169050655 803595243 /nfs/dbraw/zinc/59/52/43/803595243.db2.gz CGFXXDFQKMKNSY-RBSFLKMASA-N 1 0 335.404 2.379 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1cnccn1 ZINC001169532709 803830633 /nfs/dbraw/zinc/83/06/33/803830633.db2.gz ILEUWGJTDUOAPG-LBPRGKRZSA-N 1 0 331.376 2.498 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C2CN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170325953 809891787 /nfs/dbraw/zinc/89/17/87/809891787.db2.gz YXDANGNBJWEORE-ZDUSSCGKSA-N 1 0 342.399 2.408 20 5 EEBDRO Cc1nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000793766551 810503435 /nfs/dbraw/zinc/50/34/35/810503435.db2.gz LRIAOUVTPYCMLM-KRWDZBQOSA-N 1 0 329.404 2.238 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC001131350600 812710189 /nfs/dbraw/zinc/71/01/89/812710189.db2.gz CFHBPCGIJVORML-UHFFFAOYSA-N 1 0 346.412 2.060 20 5 EEBDRO C[C@H](Nc1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001515990057 1118992740 /nfs/dbraw/zinc/99/27/40/1118992740.db2.gz RBKHNDCIRZFRRG-LKFCYVNXSA-N 1 0 330.791 2.434 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150287637 282953657 /nfs/dbraw/zinc/95/36/57/282953657.db2.gz SJXWWQIPYYBRFC-SNVBAGLBSA-N 1 0 335.813 2.044 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171872923 529467322 /nfs/dbraw/zinc/46/73/22/529467322.db2.gz OLPKXJXIRUPMOV-GFCCVEGCSA-N 1 0 345.403 2.131 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814008 234334370 /nfs/dbraw/zinc/33/43/70/234334370.db2.gz CDRGPSYXIOMNAK-HIFRSBDPSA-N 1 0 338.404 2.110 20 5 EEBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000072897777 216325582 /nfs/dbraw/zinc/32/55/82/216325582.db2.gz XLFFBCQJNAZJCS-YOEHRIQHSA-N 1 0 335.404 2.329 20 5 EEBDRO C[NH+](C)C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000416288517 239161294 /nfs/dbraw/zinc/16/12/94/239161294.db2.gz HCOCGXWIQMKPPP-UHFFFAOYSA-N 1 0 349.434 2.365 20 5 EEBDRO O=C(c1cc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420231814 239692182 /nfs/dbraw/zinc/69/21/82/239692182.db2.gz AXVDOGNZPAAKNB-CYBMUJFWSA-N 1 0 332.404 2.385 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000421713489 240021412 /nfs/dbraw/zinc/02/14/12/240021412.db2.gz STHUUXFCBZIITN-CQSZACIVSA-N 1 0 330.388 2.171 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000422632002 240167384 /nfs/dbraw/zinc/16/73/84/240167384.db2.gz GEOHEYPWZHQTHQ-YRGRVCCFSA-N 1 0 345.403 2.450 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000422770413 240217046 /nfs/dbraw/zinc/21/70/46/240217046.db2.gz WNOFZDUIZCUECS-SNVBAGLBSA-N 1 0 343.836 2.456 20 5 EEBDRO C[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000422996602 240325007 /nfs/dbraw/zinc/32/50/07/240325007.db2.gz TXSQBDBUUZJPHV-MLGOLLRUSA-N 1 0 343.387 2.207 20 5 EEBDRO C[C@H](Nc1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000424011960 240790225 /nfs/dbraw/zinc/79/02/25/240790225.db2.gz SAGFUNJFTWPWEB-LBPRGKRZSA-N 1 0 343.387 2.194 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000133206367 223396809 /nfs/dbraw/zinc/39/68/09/223396809.db2.gz JVNMPINAGLKOCI-WBVHZDCISA-N 1 0 331.416 2.388 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC(C)(C)[NH3+])CC1 ZINC000236731649 242337332 /nfs/dbraw/zinc/33/73/32/242337332.db2.gz OWCFHMCBIRVXIC-UHFFFAOYSA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000451102896 243000211 /nfs/dbraw/zinc/00/02/11/243000211.db2.gz FTQYLUHGDSQNQE-IAOVAPTHSA-N 1 0 347.415 2.415 20 5 EEBDRO CN(Cc1ccccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451370141 243091713 /nfs/dbraw/zinc/09/17/13/243091713.db2.gz CKVFOUIJBRPDKD-MRXNPFEDSA-N 1 0 326.356 2.227 20 5 EEBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542804 243151352 /nfs/dbraw/zinc/15/13/52/243151352.db2.gz AFZWQBIWXHZHRK-NVXWUHKLSA-N 1 0 333.432 2.495 20 5 EEBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000451600448 243171502 /nfs/dbraw/zinc/17/15/02/243171502.db2.gz RTFSPUOTAGQHBI-ZBFHGGJFSA-N 1 0 337.420 2.072 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081335291 217384795 /nfs/dbraw/zinc/38/47/95/217384795.db2.gz AIXPNGYTUWRZCZ-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO CC(C)[C@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266145860 248129474 /nfs/dbraw/zinc/12/94/74/248129474.db2.gz ISQXHOFKUOSUBE-INIZCTEOSA-N 1 0 332.404 2.492 20 5 EEBDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266410010 248286488 /nfs/dbraw/zinc/28/64/88/248286488.db2.gz GISPNORVRPBBIZ-ZWNOBZJWSA-N 1 0 340.330 2.123 20 5 EEBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266522333 248344121 /nfs/dbraw/zinc/34/41/21/248344121.db2.gz ISBKHRBWPZVIRV-FUHWJXTLSA-N 1 0 344.415 2.168 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152946582 224035568 /nfs/dbraw/zinc/03/55/68/224035568.db2.gz YTJOIXKCDOCCFS-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO C[C@@H]1CN(CCN(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195324958 256010960 /nfs/dbraw/zinc/01/09/60/256010960.db2.gz YNWUFBZZAIJOGX-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000267245195 256042060 /nfs/dbraw/zinc/04/20/60/256042060.db2.gz CHADJHZCUSJUDT-NEPJUHHUSA-N 1 0 339.367 2.102 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984916 256101954 /nfs/dbraw/zinc/10/19/54/256101954.db2.gz POHSDDQSKRCERY-AAEUAGOBSA-N 1 0 348.403 2.028 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000270447078 256136346 /nfs/dbraw/zinc/13/63/46/256136346.db2.gz DTUWHBQJGKFNAD-DOTOQJQBSA-N 1 0 346.431 2.263 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067994 256204354 /nfs/dbraw/zinc/20/43/54/256204354.db2.gz DLFZGROERHLTTA-RYUDHWBXSA-N 1 0 342.417 2.079 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)CCCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000271113063 256209218 /nfs/dbraw/zinc/20/92/18/256209218.db2.gz VHMBHIPQXRUPLB-UHFFFAOYSA-N 1 0 341.383 2.026 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273960068 256341309 /nfs/dbraw/zinc/34/13/09/256341309.db2.gz ORPMOWOJMVKPEE-NSHDSACASA-N 1 0 325.384 2.468 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273485402 256300913 /nfs/dbraw/zinc/30/09/13/256300913.db2.gz RHTYZAJCPAJNML-GFCCVEGCSA-N 1 0 342.371 2.212 20 5 EEBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000275864906 256384053 /nfs/dbraw/zinc/38/40/53/256384053.db2.gz JKFYVHXAZXZJFM-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425370737 533383635 /nfs/dbraw/zinc/38/36/35/533383635.db2.gz JVXLHWWDXGWYNR-UVTDQMKNSA-N 1 0 344.415 2.488 20 5 EEBDRO COc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000349032550 144823065 /nfs/dbraw/zinc/82/30/65/144823065.db2.gz XIHOQQVWKHKQQI-GFCCVEGCSA-N 1 0 342.355 2.067 20 5 EEBDRO COC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC000078728207 292193257 /nfs/dbraw/zinc/19/32/57/292193257.db2.gz ZDAGWARMEZPLIT-OAHLLOKOSA-N 1 0 336.388 2.447 20 5 EEBDRO COc1cc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)ccc1O ZINC000089971702 292215240 /nfs/dbraw/zinc/21/52/40/292215240.db2.gz ZHBJZGOLZMVESN-UHFFFAOYSA-N 1 0 332.360 2.170 20 5 EEBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559566 292219416 /nfs/dbraw/zinc/21/94/16/292219416.db2.gz FPHGMLAWTUURQA-LSDHHAIUSA-N 1 0 337.420 2.282 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000126304809 292308671 /nfs/dbraw/zinc/30/86/71/292308671.db2.gz ZXXHPXOIEPWWCK-CYBMUJFWSA-N 1 0 337.424 2.021 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824595 159210189 /nfs/dbraw/zinc/21/01/89/159210189.db2.gz KUSNSJRNLYTGNC-UHFFFAOYSA-N 1 0 343.387 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193992239 160189699 /nfs/dbraw/zinc/18/96/99/160189699.db2.gz RONSQVDFKHSXEN-ZDUSSCGKSA-N 1 0 334.376 2.421 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248004213 160335731 /nfs/dbraw/zinc/33/57/31/160335731.db2.gz KRAQDTUWZQTWCQ-ZIAGYGMSSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920298 161024044 /nfs/dbraw/zinc/02/40/44/161024044.db2.gz JDGSVBZQMSTILH-OLZOCXBDSA-N 1 0 326.418 2.379 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342518374 161071295 /nfs/dbraw/zinc/07/12/95/161071295.db2.gz OAIZKEKRQXQYPB-GHMZBOCLSA-N 1 0 341.358 2.405 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000343644204 161154047 /nfs/dbraw/zinc/15/40/47/161154047.db2.gz RKFOLEIMJWDUCY-LBPRGKRZSA-N 1 0 331.376 2.075 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000345017026 161264297 /nfs/dbraw/zinc/26/42/97/161264297.db2.gz RMLTUFFUZLXRCH-KGLIPLIRSA-N 1 0 335.404 2.271 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352137479 162082004 /nfs/dbraw/zinc/08/20/04/162082004.db2.gz UQADBSOCYDEXNX-UHFFFAOYSA-N 1 0 342.827 2.430 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000352472177 162147079 /nfs/dbraw/zinc/14/70/79/162147079.db2.gz ZDPJXSHLZYHCLA-UHFFFAOYSA-N 1 0 343.449 2.167 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000352476222 162150233 /nfs/dbraw/zinc/15/02/33/162150233.db2.gz HLXQQUJLZHIVOO-WCQYABFASA-N 1 0 349.387 2.268 20 5 EEBDRO Cc1c(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cccc1[N+](=O)[O-] ZINC000359031610 164041726 /nfs/dbraw/zinc/04/17/26/164041726.db2.gz PZTGSYOKWOWVMG-HNNXBMFYSA-N 1 0 331.347 2.229 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000368034978 166040187 /nfs/dbraw/zinc/04/01/87/166040187.db2.gz KXDKXNHKAILCLP-CYBMUJFWSA-N 1 0 347.371 2.024 20 5 EEBDRO CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000363991580 165000310 /nfs/dbraw/zinc/00/03/10/165000310.db2.gz ZNMJJKOEUXINIU-UHFFFAOYSA-N 1 0 347.396 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000369025775 166172509 /nfs/dbraw/zinc/17/25/09/166172509.db2.gz FQYBARQNIXUVDY-CVEARBPZSA-N 1 0 339.823 2.279 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000376637592 167366268 /nfs/dbraw/zinc/36/62/68/167366268.db2.gz SGPSWVAGQXNIFS-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000171123050 226901582 /nfs/dbraw/zinc/90/15/82/226901582.db2.gz YTGHCWSCVBQBEH-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269492664 268689534 /nfs/dbraw/zinc/68/95/34/268689534.db2.gz XZCJOEYKDRQGGO-UHFFFAOYSA-N 1 0 337.424 2.292 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625733 268712077 /nfs/dbraw/zinc/71/20/77/268712077.db2.gz COHYHHUINYIHIR-YJBOKZPZSA-N 1 0 333.432 2.436 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000272702722 269011426 /nfs/dbraw/zinc/01/14/26/269011426.db2.gz ZAKMHQMCZLYDGZ-ZBEGNZNMSA-N 1 0 328.372 2.242 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272730328 269013564 /nfs/dbraw/zinc/01/35/64/269013564.db2.gz KPKBTDBEPVNJLO-GFCCVEGCSA-N 1 0 348.403 2.053 20 5 EEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000277643140 269166693 /nfs/dbraw/zinc/16/66/93/269166693.db2.gz YEVPOMOFRPXPDE-ZDUSSCGKSA-N 1 0 343.387 2.218 20 5 EEBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279907765 269314830 /nfs/dbraw/zinc/31/48/30/269314830.db2.gz VLFSJFCGTGHHAI-ZFWWWQNUSA-N 1 0 347.415 2.109 20 5 EEBDRO Cc1cc(OCC(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000280571872 269374777 /nfs/dbraw/zinc/37/47/77/269374777.db2.gz OPRUVJZIKPWOBI-UHFFFAOYSA-N 1 0 347.415 2.273 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000281944389 269455632 /nfs/dbraw/zinc/45/56/32/269455632.db2.gz JAJWYNMMJXIYFG-GDBMZVCRSA-N 1 0 333.388 2.025 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000236982912 274085251 /nfs/dbraw/zinc/08/52/51/274085251.db2.gz UPYOFPHSFGWXAF-UHFFFAOYSA-N 1 0 341.433 2.097 20 5 EEBDRO CS[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000342707293 274187382 /nfs/dbraw/zinc/18/73/82/274187382.db2.gz YMOWRJQUNDEOIL-UWVGGRQHSA-N 1 0 339.446 2.081 20 5 EEBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275390709 274245019 /nfs/dbraw/zinc/24/50/19/274245019.db2.gz ARMPKFFYWSXKOK-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275657110 274258623 /nfs/dbraw/zinc/25/86/23/274258623.db2.gz YDKMLDQMHJTBSB-ZDUSSCGKSA-N 1 0 337.420 2.023 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277393912 274287931 /nfs/dbraw/zinc/28/79/31/274287931.db2.gz ASNHRYFDVGUJII-AWEZNQCLSA-N 1 0 332.404 2.140 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000277933433 274325226 /nfs/dbraw/zinc/32/52/26/274325226.db2.gz KAWCIGWIMLMLEJ-NHYWBVRUSA-N 1 0 345.403 2.302 20 5 EEBDRO COCCC[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278460014 274358782 /nfs/dbraw/zinc/35/87/82/274358782.db2.gz SREQUBXSPQDKCK-UHFFFAOYSA-N 1 0 336.314 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CCO)CCOC3)o2)cc1 ZINC000278520245 274364135 /nfs/dbraw/zinc/36/41/35/274364135.db2.gz RWRRMJPOYFZQAY-KRWDZBQOSA-N 1 0 332.356 2.486 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287266729 274949657 /nfs/dbraw/zinc/94/96/57/274949657.db2.gz SENGCRKAKJVJSM-HZMBPMFUSA-N 1 0 336.367 2.015 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289271862 275106909 /nfs/dbraw/zinc/10/69/09/275106909.db2.gz PGIVQBPMOMTZBL-SFHVURJKSA-N 1 0 344.415 2.385 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCCn2cc(CO)nn2)c2cc([N+](=O)[O-])ccc21 ZINC000289610218 275132183 /nfs/dbraw/zinc/13/21/83/275132183.db2.gz DBSLEKPYKLJBRN-INIZCTEOSA-N 1 0 345.403 2.081 20 5 EEBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289661417 275136813 /nfs/dbraw/zinc/13/68/13/275136813.db2.gz FKGDRKJNPLJXHZ-CQSZACIVSA-N 1 0 335.404 2.473 20 5 EEBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290887779 275249415 /nfs/dbraw/zinc/24/94/15/275249415.db2.gz CPRPCAZGGGWELU-LBPRGKRZSA-N 1 0 343.387 2.021 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](CO)O3)o2)c1 ZINC000292734308 275472016 /nfs/dbraw/zinc/47/20/16/275472016.db2.gz QGFVKFSMATWIIM-ZBFHGGJFSA-N 1 0 332.356 2.484 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000376173243 277074158 /nfs/dbraw/zinc/07/41/58/277074158.db2.gz NLCKVFMBRNTVDY-AWEZNQCLSA-N 1 0 338.839 2.464 20 5 EEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449596760 278311147 /nfs/dbraw/zinc/31/11/47/278311147.db2.gz YEDZYZOLDVJNHJ-JHJVBQTASA-N 1 0 334.420 2.297 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+](C)C ZINC000129613827 278408604 /nfs/dbraw/zinc/40/86/04/278408604.db2.gz BJFIKMZLWIBXKF-SNVBAGLBSA-N 1 0 329.784 2.083 20 5 EEBDRO C[C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237630820 279246211 /nfs/dbraw/zinc/24/62/11/279246211.db2.gz NQNUDLGSWGZXGU-CYBMUJFWSA-N 1 0 334.420 2.149 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000261577196 280198512 /nfs/dbraw/zinc/19/85/12/280198512.db2.gz CNIXHYNWRGKWMB-LBPRGKRZSA-N 1 0 329.198 2.236 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000178978578 281019481 /nfs/dbraw/zinc/01/94/81/281019481.db2.gz JLEUCIXZHUOSPR-WFASDCNBSA-N 1 0 341.433 2.089 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000284059481 293024221 /nfs/dbraw/zinc/02/42/21/293024221.db2.gz QWTDWPPEQPTSKS-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284184167 293043749 /nfs/dbraw/zinc/04/37/49/293043749.db2.gz YMVUEXZJYUUFNS-LLVKDONJSA-N 1 0 338.383 2.120 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205241 294427991 /nfs/dbraw/zinc/42/79/91/294427991.db2.gz DZNFVZOGRLLSDW-XJKSGUPXSA-N 1 0 329.404 2.007 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238078184 295270900 /nfs/dbraw/zinc/27/09/00/295270900.db2.gz CJPGOIQJUDRMSM-KCJUWKMLSA-N 1 0 342.193 2.215 20 5 EEBDRO Cn1c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000262072465 302894460 /nfs/dbraw/zinc/89/44/60/302894460.db2.gz SNUGLYBTBSGVHZ-CQSZACIVSA-N 1 0 348.790 2.373 20 5 EEBDRO COc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000331083630 311814402 /nfs/dbraw/zinc/81/44/02/311814402.db2.gz NEGAVXXXAKDDJC-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCCC1 ZINC000331514893 311864498 /nfs/dbraw/zinc/86/44/98/311864498.db2.gz FGZRNSFOSYNPJA-JQWIXIFHSA-N 1 0 341.458 2.308 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331524951 311866175 /nfs/dbraw/zinc/86/61/75/311866175.db2.gz ZOMFAASITHFSFM-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000332363067 311995692 /nfs/dbraw/zinc/99/56/92/311995692.db2.gz QZPLZDYZNOVNMA-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000332465564 312011578 /nfs/dbraw/zinc/01/15/78/312011578.db2.gz IVTDRROBQQADJT-LSDHHAIUSA-N 1 0 347.415 2.367 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415652681 313162460 /nfs/dbraw/zinc/16/24/60/313162460.db2.gz HSUXOUWXTKCWCH-UHFFFAOYSA-N 1 0 334.376 2.425 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCC[N@@H+]1C ZINC000420996634 314019296 /nfs/dbraw/zinc/01/92/96/314019296.db2.gz GAZXQEGCLCTJEP-AWEZNQCLSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025490 314029032 /nfs/dbraw/zinc/02/90/32/314029032.db2.gz QXZLJVCZDCRGRN-OLZOCXBDSA-N 1 0 338.408 2.091 20 5 EEBDRO C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000425067872 314328288 /nfs/dbraw/zinc/32/82/88/314328288.db2.gz SAGXEFDNZWVXGC-BFQNTYOBSA-N 1 0 335.379 2.390 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430195220 314503266 /nfs/dbraw/zinc/50/32/66/314503266.db2.gz NLTQIPNTAZSDMF-AWEZNQCLSA-N 1 0 334.372 2.379 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440416635 315130463 /nfs/dbraw/zinc/13/04/63/315130463.db2.gz OBZHKPCRXHALIO-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443057934 315226600 /nfs/dbraw/zinc/22/66/00/315226600.db2.gz LTNFOFAFYNZPAT-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000517558141 316674531 /nfs/dbraw/zinc/67/45/31/316674531.db2.gz AVAMNKMQNDZXCP-GXTWGEPZSA-N 1 0 348.330 2.197 20 5 EEBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598675 316796819 /nfs/dbraw/zinc/79/68/19/316796819.db2.gz RTWKHNWDFZFDNA-CRAIPNDOSA-N 1 0 346.383 2.312 20 5 EEBDRO CCCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540171731 318071417 /nfs/dbraw/zinc/07/14/17/318071417.db2.gz XRIUTPSBRCGLLO-ZDUSSCGKSA-N 1 0 343.449 2.432 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000545292915 318214513 /nfs/dbraw/zinc/21/45/13/318214513.db2.gz OSDIRWUIJSEFOJ-UHFFFAOYSA-N 1 0 345.403 2.490 20 5 EEBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000564861157 319119248 /nfs/dbraw/zinc/11/92/48/319119248.db2.gz YNMPZEOPRPHTQZ-HNNXBMFYSA-N 1 0 331.372 2.136 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116059 319247195 /nfs/dbraw/zinc/24/71/95/319247195.db2.gz HLHBATUOHUNDAR-GDBMZVCRSA-N 1 0 346.383 2.392 20 5 EEBDRO Cc1cccnc1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577215905 320242763 /nfs/dbraw/zinc/24/27/63/320242763.db2.gz AJGRTLOAPHGBAV-OAHLLOKOSA-N 1 0 345.399 2.260 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578336621 320308740 /nfs/dbraw/zinc/30/87/40/320308740.db2.gz LCBKRQMITGYETC-UHFFFAOYSA-N 1 0 344.415 2.467 20 5 EEBDRO CSC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182034800 323362708 /nfs/dbraw/zinc/36/27/08/323362708.db2.gz HQTNIOKAUASWRK-OLZOCXBDSA-N 1 0 326.418 2.162 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580964213 324160626 /nfs/dbraw/zinc/16/06/26/324160626.db2.gz ZHPDNQROBGXRSP-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO CNc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000326429598 465038725 /nfs/dbraw/zinc/03/87/25/465038725.db2.gz OKGYAZZKDHPFDV-OCCSQVGLSA-N 1 0 332.404 2.193 20 5 EEBDRO CN(C(=O)C[NH2+][C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000341225511 465066404 /nfs/dbraw/zinc/06/64/04/465066404.db2.gz FNKARAWDTDOABB-QGZVFWFLSA-N 1 0 343.383 2.271 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000358362388 465080464 /nfs/dbraw/zinc/08/04/64/465080464.db2.gz CSCDCEBPWMTHMY-NOZJJQNGSA-N 1 0 349.309 2.215 20 5 EEBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347553602 465089981 /nfs/dbraw/zinc/08/99/81/465089981.db2.gz DESAHUGJFAXUCJ-HOCLYGCPSA-N 1 0 348.403 2.244 20 5 EEBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165387 465101693 /nfs/dbraw/zinc/10/16/93/465101693.db2.gz KSDVQQWQLCYBCJ-QAPCUYQASA-N 1 0 347.415 2.277 20 5 EEBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C12CCC[NH+]1CCC2 ZINC000354824495 465174193 /nfs/dbraw/zinc/17/41/93/465174193.db2.gz HJTGTEIJQFVNGZ-UHFFFAOYSA-N 1 0 326.356 2.710 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000578890421 468276043 /nfs/dbraw/zinc/27/60/43/468276043.db2.gz OGNDTKXWFBJXCG-SMDDNHRTSA-N 1 0 339.417 2.015 20 5 EEBDRO CNc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045083454 462558206 /nfs/dbraw/zinc/55/82/06/462558206.db2.gz XEFDLDNOJQSHDT-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000074317052 462583925 /nfs/dbraw/zinc/58/39/25/462583925.db2.gz QIOJJSSOCDEFJP-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CCC[N@H+](C)C1 ZINC000590689634 468306948 /nfs/dbraw/zinc/30/69/48/468306948.db2.gz NCAMMANSZXXRQX-LBPRGKRZSA-N 1 0 330.388 2.327 20 5 EEBDRO Cc1c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000046047914 462641382 /nfs/dbraw/zinc/64/13/82/462641382.db2.gz DKMGUORRSSTYFW-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000046063610 462643554 /nfs/dbraw/zinc/64/35/54/462643554.db2.gz LCGFQPBRCCIYQV-HNNXBMFYSA-N 1 0 342.399 2.490 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000153472487 462654890 /nfs/dbraw/zinc/65/48/90/462654890.db2.gz UVZRFLXXJRVQPT-GFCCVEGCSA-N 1 0 328.372 2.215 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000063723094 462666524 /nfs/dbraw/zinc/66/65/24/462666524.db2.gz GNYBLFBGOGFNHO-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089603040 462697830 /nfs/dbraw/zinc/69/78/30/462697830.db2.gz YKYHOOLJQZEUEP-INIZCTEOSA-N 1 0 335.404 2.406 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000115433815 462713392 /nfs/dbraw/zinc/71/33/92/462713392.db2.gz VQWSUKNSOCBIQE-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000154159850 462736623 /nfs/dbraw/zinc/73/66/23/462736623.db2.gz GDQJMBQMLHENKR-LSDHHAIUSA-N 1 0 349.434 2.493 20 5 EEBDRO CCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015435 462766691 /nfs/dbraw/zinc/76/66/91/462766691.db2.gz YMJWYGAOGOHKPV-LBPRGKRZSA-N 1 0 329.422 2.041 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000154616681 462789274 /nfs/dbraw/zinc/78/92/74/462789274.db2.gz ZQBMGOLSWKEFMF-AWEZNQCLSA-N 1 0 325.384 2.369 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000065674437 462817608 /nfs/dbraw/zinc/81/76/08/462817608.db2.gz VTFCIOIFHVQSDD-KGLIPLIRSA-N 1 0 335.404 2.210 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000050995551 463014840 /nfs/dbraw/zinc/01/48/40/463014840.db2.gz MPBYMGSZFGCWIE-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO CC[C@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1 ZINC000134522936 463050794 /nfs/dbraw/zinc/05/07/94/463050794.db2.gz IAYILBNQXZEFQM-GOSISDBHSA-N 1 0 347.415 2.497 20 5 EEBDRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000052007535 463057605 /nfs/dbraw/zinc/05/76/05/463057605.db2.gz GDHMDWFJFYIYAO-HOCLYGCPSA-N 1 0 347.371 2.468 20 5 EEBDRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000024085948 463078365 /nfs/dbraw/zinc/07/83/65/463078365.db2.gz NMXOODDREQWVSV-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCCCC1 ZINC000068206901 463105533 /nfs/dbraw/zinc/10/55/33/463105533.db2.gz RSYWDZCWMYEENP-NSHDSACASA-N 1 0 338.383 2.168 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccncc21 ZINC000078405220 463113405 /nfs/dbraw/zinc/11/34/05/463113405.db2.gz PHKULSJTYOECIO-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO CN(C(=O)CN1CCC(CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121622723 463168874 /nfs/dbraw/zinc/16/88/74/463168874.db2.gz XLQGHDJMYPGKIW-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CNc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000028067203 463216328 /nfs/dbraw/zinc/21/63/28/463216328.db2.gz LAYZGETYXMYDII-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO C[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054265547 463222553 /nfs/dbraw/zinc/22/25/53/463222553.db2.gz IDOXPWDWRBBMDF-UHFFFAOYSA-N 1 0 343.383 2.222 20 5 EEBDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000080008262 463271338 /nfs/dbraw/zinc/27/13/38/463271338.db2.gz LXIWAFDXHRIPGA-OLZOCXBDSA-N 1 0 332.404 2.439 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000070171347 463374163 /nfs/dbraw/zinc/37/41/63/463374163.db2.gz AHENLQKINJONNY-VIFPVBQESA-N 1 0 329.198 2.318 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886451 463456040 /nfs/dbraw/zinc/45/60/40/463456040.db2.gz RBMXKDQODQZMIW-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000105796910 463466032 /nfs/dbraw/zinc/46/60/32/463466032.db2.gz DWXBAUAMFLTGFU-UHFFFAOYSA-N 1 0 331.376 2.112 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105802256 463466824 /nfs/dbraw/zinc/46/68/24/463466824.db2.gz IOMAXCNAVSVBEB-AWEZNQCLSA-N 1 0 343.387 2.152 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058256078 463560459 /nfs/dbraw/zinc/56/04/59/463560459.db2.gz FACFYOLSXANICJ-KGLIPLIRSA-N 1 0 335.404 2.210 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000109809628 463651356 /nfs/dbraw/zinc/65/13/56/463651356.db2.gz QWIXMRXLCYXRRU-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073854764 463663268 /nfs/dbraw/zinc/66/32/68/463663268.db2.gz YDAUSNGIENJXNL-AWEZNQCLSA-N 1 0 328.372 2.317 20 5 EEBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000152529877 463700608 /nfs/dbraw/zinc/70/06/08/463700608.db2.gz GEIRDKCRZUZKPF-HNNXBMFYSA-N 1 0 340.383 2.380 20 5 EEBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380103 463701008 /nfs/dbraw/zinc/70/10/08/463701008.db2.gz QUTFMAJMVYOSRK-BZNIZROVSA-N 1 0 326.393 2.499 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657749 463705495 /nfs/dbraw/zinc/70/54/95/463705495.db2.gz KIVBJBXHZDZLLF-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177475618 463715098 /nfs/dbraw/zinc/71/50/98/463715098.db2.gz PBVXOYWMRBDWTL-KGLIPLIRSA-N 1 0 335.404 2.353 20 5 EEBDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170913927 463741385 /nfs/dbraw/zinc/74/13/85/463741385.db2.gz DUIRQRPSZGUMIN-AWEZNQCLSA-N 1 0 344.371 2.003 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000185084309 463749453 /nfs/dbraw/zinc/74/94/53/463749453.db2.gz QDVBZMIVXYZWHS-UHFFFAOYSA-N 1 0 337.424 2.122 20 5 EEBDRO Cc1nc(NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000268476419 463759547 /nfs/dbraw/zinc/75/95/47/463759547.db2.gz KKOMJCCOMBKIOY-UHFFFAOYSA-N 1 0 333.436 2.269 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000261852637 463877951 /nfs/dbraw/zinc/87/79/51/463877951.db2.gz QFRNHWSEXFZPNV-LSDHHAIUSA-N 1 0 349.434 2.350 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000261850126 463878518 /nfs/dbraw/zinc/87/85/18/463878518.db2.gz ZSDROEUMZXUMOE-AWEZNQCLSA-N 1 0 341.433 2.318 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261905247 463895194 /nfs/dbraw/zinc/89/51/94/463895194.db2.gz WSSXHDQEUBOEHX-BETUJISGSA-N 1 0 335.429 2.145 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000277174856 463899590 /nfs/dbraw/zinc/89/95/90/463899590.db2.gz DWNURQYFRYWEIR-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@@H]1[NH3+] ZINC000269207647 463908851 /nfs/dbraw/zinc/90/88/51/463908851.db2.gz MMXJTJIPAMQFRC-YOEHRIQHSA-N 1 0 349.434 2.350 20 5 EEBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@@H]1[NH3+] ZINC000269207644 463908965 /nfs/dbraw/zinc/90/89/65/463908965.db2.gz MMXJTJIPAMQFRC-PBHICJAKSA-N 1 0 349.434 2.350 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000269226103 463917228 /nfs/dbraw/zinc/91/72/28/463917228.db2.gz UGKRRRPOCFOLNY-PELKAZGASA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000278728154 463978068 /nfs/dbraw/zinc/97/80/68/463978068.db2.gz ANRFVXBMXIJPGD-HNNXBMFYSA-N 1 0 337.420 2.016 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178845618 463991352 /nfs/dbraw/zinc/99/13/52/463991352.db2.gz FCJADHZOHOZCLH-JTQLQIEISA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590972269 468387555 /nfs/dbraw/zinc/38/75/55/468387555.db2.gz BNNJKHNFIIEIPY-CJNGLKHVSA-N 1 0 333.388 2.343 20 5 EEBDRO C[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000172871642 464156626 /nfs/dbraw/zinc/15/66/26/464156626.db2.gz QEEISKIGVNSYSO-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236716756 464221449 /nfs/dbraw/zinc/22/14/49/464221449.db2.gz NGJJKTMJRGHOJF-QGZVFWFLSA-N 1 0 345.403 2.274 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000237041499 464255488 /nfs/dbraw/zinc/25/54/88/464255488.db2.gz UFQDZZPLLGFQAN-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270532740 464258961 /nfs/dbraw/zinc/25/89/61/464258961.db2.gz VQANDKJFEVIVOQ-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173613997 464293267 /nfs/dbraw/zinc/29/32/67/464293267.db2.gz KWSNZHVUDCIKRE-CYBMUJFWSA-N 1 0 334.420 2.384 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000281071480 464321398 /nfs/dbraw/zinc/32/13/98/464321398.db2.gz ZXCBGAYYQHEOPM-LBPRGKRZSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264446953 464330513 /nfs/dbraw/zinc/33/05/13/464330513.db2.gz RRVWNLWMSJWGTD-HNNXBMFYSA-N 1 0 340.420 2.065 20 5 EEBDRO C[N@H+](CCCOCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281216118 464375494 /nfs/dbraw/zinc/37/54/94/464375494.db2.gz BCRVLGXBXOZUAC-UHFFFAOYSA-N 1 0 345.399 2.295 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180902893 464417464 /nfs/dbraw/zinc/41/74/64/464417464.db2.gz SKSLYOPCDZRGSN-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189186440 464452151 /nfs/dbraw/zinc/45/21/51/464452151.db2.gz PUPHCVRGPZMTID-GXFFZTMASA-N 1 0 333.388 2.267 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189665305 464536929 /nfs/dbraw/zinc/53/69/29/464536929.db2.gz MWHWCNHGHDSENB-INIZCTEOSA-N 1 0 332.360 2.382 20 5 EEBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265467880 464570532 /nfs/dbraw/zinc/57/05/32/464570532.db2.gz ZAGWZPKPHVYAOT-LBPRGKRZSA-N 1 0 329.784 2.183 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000247303490 464666219 /nfs/dbraw/zinc/66/62/19/464666219.db2.gz FYTWOKXOEGICFJ-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[NH+]1CCC(C)(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272588793 464670876 /nfs/dbraw/zinc/67/08/76/464670876.db2.gz ZPLBDWZGEUVBQG-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000295119104 464712022 /nfs/dbraw/zinc/71/20/22/464712022.db2.gz WNLNCWMFQWKYPB-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000295119102 464712562 /nfs/dbraw/zinc/71/25/62/464712562.db2.gz WNLNCWMFQWKYPB-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176196707 464717373 /nfs/dbraw/zinc/71/73/73/464717373.db2.gz HAMIXZYCQXHEOX-CYBMUJFWSA-N 1 0 341.375 2.065 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295196443 464741418 /nfs/dbraw/zinc/74/14/18/464741418.db2.gz BGOXPWDYMRVHOO-WFASDCNBSA-N 1 0 335.404 2.405 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000176551059 464797568 /nfs/dbraw/zinc/79/75/68/464797568.db2.gz ZZOAOQZMIRRTLM-KGLIPLIRSA-N 1 0 332.404 2.092 20 5 EEBDRO CC(C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000295402053 464818854 /nfs/dbraw/zinc/81/88/54/464818854.db2.gz MCGRJWXXBGNKDL-UHFFFAOYSA-N 1 0 327.768 2.296 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191940542 464834853 /nfs/dbraw/zinc/83/48/53/464834853.db2.gz LZCVRDOJUYXIJT-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO COc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295484829 464854355 /nfs/dbraw/zinc/85/43/55/464854355.db2.gz ZKYSEWUIDBEJQB-LBPRGKRZSA-N 1 0 333.388 2.160 20 5 EEBDRO CCC(=O)c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000295683489 464928931 /nfs/dbraw/zinc/92/89/31/464928931.db2.gz MRCHJBNQOZGCKY-CQSZACIVSA-N 1 0 335.404 2.446 20 5 EEBDRO COc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339534460 465326557 /nfs/dbraw/zinc/32/65/57/465326557.db2.gz WNXAPPMFKSHUPH-CQSZACIVSA-N 1 0 329.356 2.310 20 5 EEBDRO [NH3+]C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000358799249 465329486 /nfs/dbraw/zinc/32/94/86/465329486.db2.gz MJEUXRFCVPKBKO-QGZVFWFLSA-N 1 0 343.358 2.361 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593914532 468431554 /nfs/dbraw/zinc/43/15/54/468431554.db2.gz CZISWEDVQDIQHT-TZMCWYRMSA-N 1 0 335.404 2.122 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356750509 465519143 /nfs/dbraw/zinc/51/91/43/465519143.db2.gz ZMYHSOVKCIQQIN-SFHVURJKSA-N 1 0 342.399 2.347 20 5 EEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000591297655 468442167 /nfs/dbraw/zinc/44/21/67/468442167.db2.gz XEKYYMUAKXCCKE-VIFPVBQESA-N 1 0 332.282 2.439 20 5 EEBDRO O=[N+]([O-])c1cc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000344556502 465674099 /nfs/dbraw/zinc/67/40/99/465674099.db2.gz ZHUUXQHWQJHLAH-QGZVFWFLSA-N 1 0 347.440 2.383 20 5 EEBDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000366441168 465729229 /nfs/dbraw/zinc/72/92/29/465729229.db2.gz XWQJFMDQKMSFCT-BFYDXBDKSA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000362442007 465743228 /nfs/dbraw/zinc/74/32/28/465743228.db2.gz VIVXKXIHBQVTLK-UHFFFAOYSA-N 1 0 333.388 2.344 20 5 EEBDRO CC[NH+](CC)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353463989 465903154 /nfs/dbraw/zinc/90/31/54/465903154.db2.gz STVAKHJVLNYUTK-MRXNPFEDSA-N 1 0 331.420 2.349 20 5 EEBDRO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504604 465938874 /nfs/dbraw/zinc/93/88/74/465938874.db2.gz SHQGYPQSRSVWMR-GUYCJALGSA-N 1 0 343.431 2.490 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301325235 465943944 /nfs/dbraw/zinc/94/39/44/465943944.db2.gz AHPOKFWSPWFWTA-NSHDSACASA-N 1 0 331.376 2.022 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712603 465961693 /nfs/dbraw/zinc/96/16/93/465961693.db2.gz BATQWWTZWPZCNH-JLJPHGGASA-N 1 0 338.404 2.374 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346229263 466011463 /nfs/dbraw/zinc/01/14/63/466011463.db2.gz SCXKHEZBCWLCFP-ZJUUUORDSA-N 1 0 329.784 2.082 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccco1 ZINC000338348977 466050259 /nfs/dbraw/zinc/05/02/59/466050259.db2.gz MXGPYAWMDUIEAK-MRXNPFEDSA-N 1 0 334.372 2.240 20 5 EEBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301888851 466055067 /nfs/dbraw/zinc/05/50/67/466055067.db2.gz RXMANGRYBOYDFI-LSDHHAIUSA-N 1 0 328.372 2.037 20 5 EEBDRO Cn1c2cc(NC3CCC([NH+](C)C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000591464344 468473665 /nfs/dbraw/zinc/47/36/65/468473665.db2.gz NXFVKGSGODCRAZ-UHFFFAOYSA-N 1 0 347.419 2.070 20 5 EEBDRO Cc1cc(NCc2nnc(C3CC3)n2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000361704429 466219175 /nfs/dbraw/zinc/21/91/75/466219175.db2.gz IIYBWEMASWDIGT-UHFFFAOYSA-N 1 0 338.371 2.491 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C ZINC000338770038 466368991 /nfs/dbraw/zinc/36/89/91/466368991.db2.gz YIGSXXZBUVILHK-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000332186326 466435854 /nfs/dbraw/zinc/43/58/54/466435854.db2.gz BDUPSBLZDOIHBA-NEPJUHHUSA-N 1 0 328.372 2.308 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000358131317 466482260 /nfs/dbraw/zinc/48/22/60/466482260.db2.gz GDCUECYENFGHNS-ZDUSSCGKSA-N 1 0 337.424 2.035 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000332346953 466519510 /nfs/dbraw/zinc/51/95/10/466519510.db2.gz YOPRSGCBZZMOHK-BETUJISGSA-N 1 0 335.404 2.376 20 5 EEBDRO C[NH+]1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000367815172 466540503 /nfs/dbraw/zinc/54/05/03/466540503.db2.gz PGVLQNJQDHHPFJ-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000363674132 466552178 /nfs/dbraw/zinc/55/21/78/466552178.db2.gz OGHYELBDOXIVMB-KBRIMQKVSA-N 1 0 346.431 2.373 20 5 EEBDRO CCN1CCC([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000362184599 466610533 /nfs/dbraw/zinc/61/05/33/466610533.db2.gz SLBNGCMJSIWFOZ-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000324378627 466646498 /nfs/dbraw/zinc/64/64/98/466646498.db2.gz LBJWCIBSAXCRFS-KRWDZBQOSA-N 1 0 325.368 2.440 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2c1 ZINC000325191080 466654474 /nfs/dbraw/zinc/65/44/74/466654474.db2.gz AAZOSVXHIIEIEC-LSDHHAIUSA-N 1 0 328.372 2.418 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000373232689 466736457 /nfs/dbraw/zinc/73/64/57/466736457.db2.gz CRFGCCSMGFVYFR-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO Cn1ccnc1[C@H](NCCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423539777 466771178 /nfs/dbraw/zinc/77/11/78/466771178.db2.gz PHOZJLLRLSCWIO-QGZVFWFLSA-N 1 0 341.415 2.317 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417234437 466812047 /nfs/dbraw/zinc/81/20/47/466812047.db2.gz PSUUKJDOKQGMRT-HOTGVXAUSA-N 1 0 346.431 2.168 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423718611 466812216 /nfs/dbraw/zinc/81/22/16/466812216.db2.gz LKUXANGUBYBQSA-ZIAGYGMSSA-N 1 0 347.415 2.455 20 5 EEBDRO C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000423823541 466859354 /nfs/dbraw/zinc/85/93/54/466859354.db2.gz IETUEHCKJKASHV-SJKOYZFVSA-N 1 0 340.383 2.211 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C[NH3+])C1CC1 ZINC000423952465 466926107 /nfs/dbraw/zinc/92/61/07/466926107.db2.gz PNRNNQIWCUKPLY-LBPRGKRZSA-N 1 0 342.193 2.167 20 5 EEBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000411959843 466948266 /nfs/dbraw/zinc/94/82/66/466948266.db2.gz VZXMYHCGOIRPMH-ZDUSSCGKSA-N 1 0 344.371 2.160 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000411973254 466953032 /nfs/dbraw/zinc/95/30/32/466953032.db2.gz WZTNOFMIODDKLQ-INIZCTEOSA-N 1 0 331.397 2.285 20 5 EEBDRO Cc1ccccc1NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365838429 466958076 /nfs/dbraw/zinc/95/80/76/466958076.db2.gz OAXAGLZGJSAWBT-UHFFFAOYSA-N 1 0 343.387 2.375 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424059257 466967420 /nfs/dbraw/zinc/96/74/20/466967420.db2.gz VMMSPXWBASSMPW-DYEKYZERSA-N 1 0 335.404 2.439 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000412176169 467031794 /nfs/dbraw/zinc/03/17/94/467031794.db2.gz PTETZZNUEJOYRF-HQQPKKBNSA-N 1 0 329.400 2.440 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378223633 467233266 /nfs/dbraw/zinc/23/32/66/467233266.db2.gz HMBFQLKFYDZYCK-OAHLLOKOSA-N 1 0 346.431 2.387 20 5 EEBDRO COC(=O)Cc1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413449223 467244765 /nfs/dbraw/zinc/24/47/65/467244765.db2.gz XCQZSHNPDUIKRX-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000428861899 467277005 /nfs/dbraw/zinc/27/70/05/467277005.db2.gz LNZLTVCZVYXTPU-SJKOYZFVSA-N 1 0 343.383 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000420225508 467323913 /nfs/dbraw/zinc/32/39/13/467323913.db2.gz JDJKSZCUTZCNGZ-UHFFFAOYSA-N 1 0 329.360 2.225 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420232273 467326718 /nfs/dbraw/zinc/32/67/18/467326718.db2.gz BXGIAADGRXOZDI-CYBMUJFWSA-N 1 0 343.387 2.113 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420335702 467363463 /nfs/dbraw/zinc/36/34/63/467363463.db2.gz LXBORYVIOLJGDK-PWSUYJOCSA-N 1 0 340.811 2.246 20 5 EEBDRO CCn1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000414211809 467391127 /nfs/dbraw/zinc/39/11/27/467391127.db2.gz QVXRFTKIUNCRLT-GFCCVEGCSA-N 1 0 331.376 2.318 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420590258 467430861 /nfs/dbraw/zinc/43/08/61/467430861.db2.gz VZEXHMHFIOPMTF-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420751323 467472673 /nfs/dbraw/zinc/47/26/73/467472673.db2.gz WFYIIKVHGXIOPC-UHFFFAOYSA-N 1 0 341.433 2.054 20 5 EEBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616291 467481167 /nfs/dbraw/zinc/48/11/67/467481167.db2.gz RTGJOBKQEAEYCX-CQSZACIVSA-N 1 0 334.420 2.306 20 5 EEBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431674652 467532530 /nfs/dbraw/zinc/53/25/30/467532530.db2.gz FHKXSUXIOOLLLJ-ZDUSSCGKSA-N 1 0 332.404 2.366 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448601657 467595353 /nfs/dbraw/zinc/59/53/53/467595353.db2.gz WCVLUMUYTJRLDM-UHFFFAOYSA-N 1 0 345.403 2.303 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449715665 467698119 /nfs/dbraw/zinc/69/81/19/467698119.db2.gz BOXZFFLVLFMQAK-SNVBAGLBSA-N 1 0 337.323 2.083 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](C1CC1)[NH+](C)C ZINC000450312901 467823781 /nfs/dbraw/zinc/82/37/81/467823781.db2.gz OGMGFPVILYKZAR-OAHLLOKOSA-N 1 0 330.388 2.326 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)cc1OC(F)F ZINC000450595230 467876454 /nfs/dbraw/zinc/87/64/54/467876454.db2.gz LVVYSRSDSKDPMK-GFCCVEGCSA-N 1 0 345.346 2.455 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459520766 467960429 /nfs/dbraw/zinc/96/04/29/467960429.db2.gz KXFJYYXYQVDEQN-UHFFFAOYSA-N 1 0 342.399 2.392 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOC2CCCCC2)c1 ZINC000567677030 468182000 /nfs/dbraw/zinc/18/20/00/468182000.db2.gz BRPSKCRAOQIXNZ-HNNXBMFYSA-N 1 0 338.404 2.273 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594227253 468520388 /nfs/dbraw/zinc/52/03/88/468520388.db2.gz VGFLODBGQNWMBB-JKSUJKDBSA-N 1 0 332.404 2.411 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592254894 468665104 /nfs/dbraw/zinc/66/51/04/468665104.db2.gz LAINGEOVYFWBSZ-UONOGXRCSA-N 1 0 347.415 2.455 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253548 468665265 /nfs/dbraw/zinc/66/52/65/468665265.db2.gz IUXOCXKWPGTCPF-HUUCEWRRSA-N 1 0 347.415 2.212 20 5 EEBDRO CC1([NH3+])CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000592329305 468678180 /nfs/dbraw/zinc/67/81/80/468678180.db2.gz WBYUFDUZXKUPNX-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597853965 468693287 /nfs/dbraw/zinc/69/32/87/468693287.db2.gz FOSVWVVLHCVPPM-NSHDSACASA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000592477474 468706555 /nfs/dbraw/zinc/70/65/55/468706555.db2.gz XQXPLUUTUQFRJM-IAQYHMDHSA-N 1 0 335.404 2.081 20 5 EEBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592487888 468709167 /nfs/dbraw/zinc/70/91/67/468709167.db2.gz ANCJCRWGZGTLFG-MCIONIFRSA-N 1 0 334.420 2.289 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555365 468729378 /nfs/dbraw/zinc/72/93/78/468729378.db2.gz XPYOKPZYZORPQE-CHWSQXEVSA-N 1 0 332.404 2.029 20 5 EEBDRO COCCc1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000601106837 468743200 /nfs/dbraw/zinc/74/32/00/468743200.db2.gz YFJNGLYTIKOIDU-UHFFFAOYSA-N 1 0 337.401 2.409 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000583853402 468764661 /nfs/dbraw/zinc/76/46/61/468764661.db2.gz NZJCJMXYTXBTDQ-DAXOMENPSA-N 1 0 333.388 2.245 20 5 EEBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572112336 468887088 /nfs/dbraw/zinc/88/70/88/468887088.db2.gz DHPFRCHVTLMLGW-CZUORRHYSA-N 1 0 346.383 2.261 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000595523077 468887651 /nfs/dbraw/zinc/88/76/51/468887651.db2.gz HKDQYANXLYBSEZ-UHFFFAOYSA-N 1 0 337.395 2.060 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598642005 468942922 /nfs/dbraw/zinc/94/29/22/468942922.db2.gz QIQXZBROFPXSPY-CYBMUJFWSA-N 1 0 348.403 2.310 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598715446 468971050 /nfs/dbraw/zinc/97/10/50/468971050.db2.gz QOQXHTOSDDLBCI-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000572696956 468971589 /nfs/dbraw/zinc/97/15/89/468971589.db2.gz KCEJYIPSYFIVIE-AWEZNQCLSA-N 1 0 335.404 2.089 20 5 EEBDRO COC[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000610615777 469017705 /nfs/dbraw/zinc/01/77/05/469017705.db2.gz UMJQASLZZHXDJR-CYBMUJFWSA-N 1 0 335.360 2.004 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000602802901 469086011 /nfs/dbraw/zinc/08/60/11/469086011.db2.gz XIAULHGZNCVGIS-KRWDZBQOSA-N 1 0 344.415 2.373 20 5 EEBDRO CCOc1cc(C(=O)NCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OC ZINC000595940603 469093436 /nfs/dbraw/zinc/09/34/36/469093436.db2.gz HSIOAGRSJQMPSY-UHFFFAOYSA-N 1 0 337.376 2.003 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000602817932 469094915 /nfs/dbraw/zinc/09/49/15/469094915.db2.gz KKMGXXASLZSLEB-CYBMUJFWSA-N 1 0 349.366 2.177 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CC2)c(F)c1N1CCOCC1 ZINC000596014096 469117886 /nfs/dbraw/zinc/11/78/86/469117886.db2.gz MULLCWQEZGNTTL-UHFFFAOYSA-N 1 0 338.383 2.125 20 5 EEBDRO CCC(CC)[NH2+]CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599096951 469118102 /nfs/dbraw/zinc/11/81/02/469118102.db2.gz CLUJIMSIGRAGRX-UHFFFAOYSA-N 1 0 335.451 2.250 20 5 EEBDRO COC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000615034550 469125412 /nfs/dbraw/zinc/12/54/12/469125412.db2.gz HGSWDGWENUWQMO-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000596114941 469162185 /nfs/dbraw/zinc/16/21/85/469162185.db2.gz OSAAYEVZHYFYKP-UHFFFAOYSA-N 1 0 340.811 2.122 20 5 EEBDRO Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596122283 469165773 /nfs/dbraw/zinc/16/57/73/469165773.db2.gz TVSBRQYARBRDRR-UHFFFAOYSA-N 1 0 340.449 2.319 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596123109 469166725 /nfs/dbraw/zinc/16/67/25/469166725.db2.gz OHSSLGUAIFRZBR-JTQLQIEISA-N 1 0 343.225 2.015 20 5 EEBDRO C[N@H+](CCc1ccccc1)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000602131207 469204740 /nfs/dbraw/zinc/20/47/40/469204740.db2.gz KLJOPHAJABTBIL-UHFFFAOYSA-N 1 0 341.411 2.428 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599586419 469300912 /nfs/dbraw/zinc/30/09/12/469300912.db2.gz ICAJWUVVGJZIJQ-INIZCTEOSA-N 1 0 348.403 2.217 20 5 EEBDRO CC(C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602432243 469314290 /nfs/dbraw/zinc/31/42/90/469314290.db2.gz XTQXUDIOQBSPTA-AWEZNQCLSA-N 1 0 334.420 2.007 20 5 EEBDRO CCC[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596652064 469322413 /nfs/dbraw/zinc/32/24/13/469322413.db2.gz FSFJWWVYKMIVMF-CQSZACIVSA-N 1 0 331.376 2.180 20 5 EEBDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602486615 469337031 /nfs/dbraw/zinc/33/70/31/469337031.db2.gz FDIMQOSXFAYZAR-GASCZTMLSA-N 1 0 329.400 2.369 20 5 EEBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551684 469358500 /nfs/dbraw/zinc/35/85/00/469358500.db2.gz PMAKRAZWLOPTDE-LBPRGKRZSA-N 1 0 344.419 2.351 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000616337599 469427254 /nfs/dbraw/zinc/42/72/54/469427254.db2.gz DHNSMYFILIJYPE-LBPRGKRZSA-N 1 0 335.404 2.372 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000619872107 469693328 /nfs/dbraw/zinc/69/33/28/469693328.db2.gz ZLWZLRNZONPQOU-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H](CO)Cc1ccccc1)OCCO2 ZINC000614100585 469853673 /nfs/dbraw/zinc/85/36/73/469853673.db2.gz LDWYKFHWKDOYLQ-OAHLLOKOSA-N 1 0 344.367 2.059 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCN1CCC(O)CC1)C1CC1 ZINC000178520550 534887581 /nfs/dbraw/zinc/88/75/81/534887581.db2.gz ADPXUJOZPNHXKC-GOSISDBHSA-N 1 0 347.459 2.352 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000179604071 527294293 /nfs/dbraw/zinc/29/42/93/527294293.db2.gz PAZCTFFHCCOIOY-INIZCTEOSA-N 1 0 349.431 2.303 20 5 EEBDRO CCNc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000411004483 528430912 /nfs/dbraw/zinc/43/09/12/528430912.db2.gz WGSFQDSAPFQSMW-UHFFFAOYSA-N 1 0 346.391 2.037 20 5 EEBDRO CC1(C)CC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC(C)(C)[NH2+]1 ZINC000181126728 528888638 /nfs/dbraw/zinc/88/86/38/528888638.db2.gz YMELVNUPNFNBJD-UHFFFAOYSA-N 1 0 349.387 2.363 20 5 EEBDRO CC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411268347 529308503 /nfs/dbraw/zinc/30/85/03/529308503.db2.gz FYLRUDCPTQIEDV-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000422902567 535355162 /nfs/dbraw/zinc/35/51/62/535355162.db2.gz MXZDCOMFNOAIGI-ZDUSSCGKSA-N 1 0 337.376 2.019 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000264162206 535524887 /nfs/dbraw/zinc/52/48/87/535524887.db2.gz IXRVMSYREUHROI-UHFFFAOYSA-N 1 0 337.420 2.334 20 5 EEBDRO CO[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000451558278 536692144 /nfs/dbraw/zinc/69/21/44/536692144.db2.gz FSWVELHISVDECK-VBNZEHGJSA-N 1 0 333.388 2.057 20 5 EEBDRO Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000733157820 577205485 /nfs/dbraw/zinc/20/54/85/577205485.db2.gz GCXXAGPYDZMDMX-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771460562 577213691 /nfs/dbraw/zinc/21/36/91/577213691.db2.gz QEMXHCCJPCSLDR-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO COc1ccc(OC)c(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776273898 577456210 /nfs/dbraw/zinc/45/62/10/577456210.db2.gz BGIGEZXJXDOWLL-QGZVFWFLSA-N 1 0 346.383 2.478 20 5 EEBDRO CCCC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280092 577456686 /nfs/dbraw/zinc/45/66/86/577456686.db2.gz ZNNZCPGDULMUSV-MRXNPFEDSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000777309027 577476405 /nfs/dbraw/zinc/47/64/05/577476405.db2.gz IULJZQMPJNTUTH-DZGCQCFKSA-N 1 0 336.388 2.476 20 5 EEBDRO Cc1nn(C[N@H+](C)CCCn2ccnc2)c2ccc([N+](=O)[O-])cc12 ZINC000767760507 577544326 /nfs/dbraw/zinc/54/43/26/577544326.db2.gz YOIYOJJMYXPPIZ-UHFFFAOYSA-N 1 0 328.376 2.429 20 5 EEBDRO [NH2+]=C(NOCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 ZINC000764570392 577738977 /nfs/dbraw/zinc/73/89/77/577738977.db2.gz HDZMIBQGUWCTLY-HNNXBMFYSA-N 1 0 329.312 2.433 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1OC ZINC000749679583 577979760 /nfs/dbraw/zinc/97/97/60/577979760.db2.gz XBZHNUIMXPECOH-MRXNPFEDSA-N 1 0 346.383 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000749802565 577982220 /nfs/dbraw/zinc/98/22/20/577982220.db2.gz YFGMHXXSBCCKAJ-CABCVRRESA-N 1 0 343.387 2.169 20 5 EEBDRO Cc1nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749938407 577984081 /nfs/dbraw/zinc/98/40/81/577984081.db2.gz KQZKUFBGFIIPFE-GFCCVEGCSA-N 1 0 331.376 2.106 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001021927033 676551012 /nfs/dbraw/zinc/55/10/12/676551012.db2.gz AFWZJCYYWSGLCR-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)ns1 ZINC001022013843 676583968 /nfs/dbraw/zinc/58/39/68/676583968.db2.gz SFOVIDMLSHBRRS-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(CC1=CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022658951 676917177 /nfs/dbraw/zinc/91/71/77/676917177.db2.gz IFUAIUXPVPGMGV-IYBDPMFKSA-N 1 0 345.399 2.068 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000892106468 678010100 /nfs/dbraw/zinc/01/01/00/678010100.db2.gz VVWMDNNCUICVRS-JSGCOSHPSA-N 1 0 337.420 2.471 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000892187074 678228292 /nfs/dbraw/zinc/22/82/92/678228292.db2.gz IFSRYYHEXBUOID-AAVRWANBSA-N 1 0 332.404 2.343 20 5 EEBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCOCC1 ZINC001022852431 678648496 /nfs/dbraw/zinc/64/84/96/678648496.db2.gz IOUMHIWQIAHXQR-GASCZTMLSA-N 1 0 347.415 2.148 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161515 681251145 /nfs/dbraw/zinc/25/11/45/681251145.db2.gz MQVYDPNWZPMFRM-JTQLQIEISA-N 1 0 345.197 2.462 20 5 EEBDRO COc1c(O)ccc(CNC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000894171470 682105679 /nfs/dbraw/zinc/10/56/79/682105679.db2.gz JDYOIIJJMIOOGC-UHFFFAOYSA-N 1 0 335.404 2.416 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108459437 682742969 /nfs/dbraw/zinc/74/29/69/682742969.db2.gz LJTJAJYCGVTZAG-ZDUSSCGKSA-N 1 0 348.359 2.026 20 5 EEBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1(F)F ZINC000894421742 682886451 /nfs/dbraw/zinc/88/64/51/682886451.db2.gz YCLGCNZONWTEHU-JQWIXIFHSA-N 1 0 348.733 2.435 20 5 EEBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893091311 683727081 /nfs/dbraw/zinc/72/70/81/683727081.db2.gz AAGCNMHCICUWPT-UKRRQHHQSA-N 1 0 340.445 2.330 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159103709 684158088 /nfs/dbraw/zinc/15/80/88/684158088.db2.gz GMJJOPRHFILSFE-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895245608 684372284 /nfs/dbraw/zinc/37/22/84/684372284.db2.gz GVYYFUCJRCWUQB-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000985140763 685842068 /nfs/dbraw/zinc/84/20/68/685842068.db2.gz PMYPWDVYCPYRNE-SAZUREKKSA-N 1 0 342.399 2.150 20 5 EEBDRO O=C(c1ccccn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989853187 692388763 /nfs/dbraw/zinc/38/87/63/692388763.db2.gz ZSXPKEYDLSWMCA-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO C[NH+](C)CCOc1cc(NCCOC(F)(F)F)ccc1[N+](=O)[O-] ZINC001168175311 1187211394 /nfs/dbraw/zinc/21/13/94/1187211394.db2.gz UPCGQTMOZHEXRB-UHFFFAOYSA-N 1 0 337.298 2.484 20 5 EEBDRO [NH3+]Cc1cnn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC001168258350 1187414671 /nfs/dbraw/zinc/41/46/71/1187414671.db2.gz PISVVROKRHMKQB-UHFFFAOYSA-N 1 0 325.328 2.213 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001034571130 1196382217 /nfs/dbraw/zinc/38/22/17/1196382217.db2.gz SUAXSHPKLMQGOR-HAQNSBGRSA-N 1 0 327.331 2.377 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001034604928 1196417292 /nfs/dbraw/zinc/41/72/92/1196417292.db2.gz QGHGHRZPWZLBRK-SHTZXODSSA-N 1 0 343.387 2.149 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000825874015 1199617158 /nfs/dbraw/zinc/61/71/58/1199617158.db2.gz SKFVEXSQGIUAJI-LSDHHAIUSA-N 1 0 343.468 2.075 20 5 EEBDRO C[N@H+](CCCO)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000217213741 1199743434 /nfs/dbraw/zinc/74/34/34/1199743434.db2.gz JJSLSEOCNADEDP-UHFFFAOYSA-N 1 0 325.384 2.013 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877405341 1199924507 /nfs/dbraw/zinc/92/45/07/1199924507.db2.gz IYRNAQMOTYJFJZ-INIZCTEOSA-N 1 0 347.415 2.402 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000878188754 1200311162 /nfs/dbraw/zinc/31/11/62/1200311162.db2.gz NYQCORBYNVTOHB-ZIAGYGMSSA-N 1 0 334.376 2.281 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]2C1 ZINC000812338381 1200670611 /nfs/dbraw/zinc/67/06/11/1200670611.db2.gz LKDRTRJHUPRHOZ-NEPJUHHUSA-N 1 0 328.372 2.100 20 5 EEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880295519 1201449148 /nfs/dbraw/zinc/44/91/48/1201449148.db2.gz UMZFYJWBAPXSNY-LLVKDONJSA-N 1 0 325.340 2.223 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880298279 1201450997 /nfs/dbraw/zinc/45/09/97/1201450997.db2.gz XBQFLIXXTLDZCB-NSHDSACASA-N 1 0 325.340 2.223 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866282030 1201482890 /nfs/dbraw/zinc/48/28/90/1201482890.db2.gz LRFAIWZRRAESJJ-CQSZACIVSA-N 1 0 349.406 2.467 20 5 EEBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1CSCC[NH2+]1 ZINC000882729355 1201929636 /nfs/dbraw/zinc/92/96/36/1201929636.db2.gz ZNSZVPIFLSVDKF-MRVPVSSYSA-N 1 0 332.223 2.474 20 5 EEBDRO CC(C)C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000882916333 1201974521 /nfs/dbraw/zinc/97/45/21/1201974521.db2.gz MYXJKDHKHKGTOW-OAHLLOKOSA-N 1 0 332.404 2.492 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095427512 1205736941 /nfs/dbraw/zinc/73/69/41/1205736941.db2.gz FMTYDQPFIUFYCU-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCCNC(=O)CCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001095601700 1205887512 /nfs/dbraw/zinc/88/75/12/1205887512.db2.gz FUOCOIONHZFBPV-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000931036094 1206601908 /nfs/dbraw/zinc/60/19/08/1206601908.db2.gz BLIPOLLDPMAGBO-YPMHNXCESA-N 1 0 331.376 2.169 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000934161682 1207913832 /nfs/dbraw/zinc/91/38/32/1207913832.db2.gz GIYCFIQAAMDUDZ-GUIRCDHDSA-N 1 0 338.408 2.089 20 5 EEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000192028449 1210408966 /nfs/dbraw/zinc/40/89/66/1210408966.db2.gz YSJDGCZVARUDDT-NSHDSACASA-N 1 0 347.824 2.044 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000193321960 1210801223 /nfs/dbraw/zinc/80/12/23/1210801223.db2.gz PLTNJJJURKGUJW-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789446 1218040469 /nfs/dbraw/zinc/04/04/69/1218040469.db2.gz ZHPPDXKADGSXJA-YVXVDGILSA-N 1 0 333.432 2.169 20 5 EEBDRO Cc1ncsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020002285 1229435820 /nfs/dbraw/zinc/43/58/20/1229435820.db2.gz HIZBNSBWQDZADC-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001096125156 1235138798 /nfs/dbraw/zinc/13/87/98/1235138798.db2.gz RNAAHDJKBYXBAR-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001097261207 1243888457 /nfs/dbraw/zinc/88/84/57/1243888457.db2.gz UPUSIRUCVFIZMH-OKILXGFUSA-N 1 0 346.431 2.447 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580940 1278144962 /nfs/dbraw/zinc/14/49/62/1278144962.db2.gz UHLGNJCTKJQERA-FPMFFAJLSA-N 1 0 334.420 2.475 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000700685067 1276956321 /nfs/dbraw/zinc/95/63/21/1276956321.db2.gz PPMKAZRIVXXNFO-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO CCCCOCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199911757 1285900586 /nfs/dbraw/zinc/90/05/86/1285900586.db2.gz NWHGRRIVJXELJN-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc([N+](=O)[O-])cc1 ZINC000852095653 1291990871 /nfs/dbraw/zinc/99/08/71/1291990871.db2.gz CDSSWVFHXNGGKT-VIFPVBQESA-N 1 0 340.181 2.300 20 5 EEBDRO O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218285938 1297623893 /nfs/dbraw/zinc/62/38/93/1297623893.db2.gz CAVQBUNZPMQHET-GFCCVEGCSA-N 1 0 327.336 2.488 20 5 EEBDRO CC(C)N(CCCNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001102109043 1300322720 /nfs/dbraw/zinc/32/27/20/1300322720.db2.gz OGMWXMFVDNZHER-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227448502 1301832399 /nfs/dbraw/zinc/83/23/99/1301832399.db2.gz FOXNSHZYROGBOT-CQSZACIVSA-N 1 0 340.379 2.394 20 5 EEBDRO COC(=O)N1CCC(c2cc(O[C@H](C)C[N+](C)(C)C)no2)CC1 ZINC001228967060 1302549240 /nfs/dbraw/zinc/54/92/40/1302549240.db2.gz RCKCPLNIEYXJFG-GFCCVEGCSA-N 1 0 326.417 2.094 20 5 EEBDRO COC(=O)c1cc(O[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001229942705 1302993056 /nfs/dbraw/zinc/99/30/56/1302993056.db2.gz PSNLZLFDLJXXOC-JTQLQIEISA-N 1 0 326.324 2.382 20 5 EEBDRO Nc1[nH]c2ccc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC001230518364 1303241489 /nfs/dbraw/zinc/24/14/89/1303241489.db2.gz PXPBVJLFGSNFAW-OAHLLOKOSA-N 1 0 342.311 2.271 20 5 EEBDRO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNc2ncccc2[N+](=O)[O-])CC1 ZINC001111645535 1303749584 /nfs/dbraw/zinc/74/95/84/1303749584.db2.gz SMHCLCVUWKIFNX-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001111814721 1303931619 /nfs/dbraw/zinc/93/16/19/1303931619.db2.gz YBHPLHAHHUNPEG-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783600469 1304306812 /nfs/dbraw/zinc/30/68/12/1304306812.db2.gz AGRGXMUJSIQKRP-UHFFFAOYSA-N 1 0 349.840 2.056 20 5 EEBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676998 1304325131 /nfs/dbraw/zinc/32/51/31/1304325131.db2.gz NNPFZWFCWRUUGG-HNNXBMFYSA-N 1 0 344.795 2.431 20 5 EEBDRO Cc1nnsc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233818253 1304602767 /nfs/dbraw/zinc/60/27/67/1304602767.db2.gz DELPMDIZHNDMIS-UHFFFAOYSA-N 1 0 349.416 2.007 20 5 EEBDRO CCOC(=O)c1nnc(O[C@H](C)C[N+](C)(C)C)cc1C(F)(F)F ZINC001234833931 1305034077 /nfs/dbraw/zinc/03/40/77/1305034077.db2.gz SMIFOTGJOKDEFA-SECBINFHSA-N 1 0 336.334 2.146 20 5 EEBDRO C[N@H+](CCCNC(=O)CC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001235044378 1305095538 /nfs/dbraw/zinc/09/55/38/1305095538.db2.gz TXDPWRQCWZZWSB-UHFFFAOYSA-N 1 0 333.310 2.485 20 5 EEBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001119243498 1309032174 /nfs/dbraw/zinc/03/21/74/1309032174.db2.gz UTKUJFRTQGTHTN-DLBZAZTESA-N 1 0 347.463 2.421 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001121936722 1310178339 /nfs/dbraw/zinc/17/83/39/1310178339.db2.gz MNXNNAKLBOVPRA-HNNXBMFYSA-N 1 0 325.796 2.378 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCCNC3)CC2)c(F)c1 ZINC001246127615 1310242394 /nfs/dbraw/zinc/24/23/94/1310242394.db2.gz LLGQXORZLZUYFO-LBPRGKRZSA-N 1 0 340.374 2.183 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccs1 ZINC001247260842 1310559667 /nfs/dbraw/zinc/55/96/67/1310559667.db2.gz SQSXTMLTWMJQEA-MRVPVSSYSA-N 1 0 335.320 2.483 20 5 EEBDRO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248174978 1310856513 /nfs/dbraw/zinc/85/65/13/1310856513.db2.gz IBQVJUKAVMMGLL-TZMCWYRMSA-N 1 0 333.351 2.228 20 5 EEBDRO CN(CC(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000840237336 1315331936 /nfs/dbraw/zinc/33/19/36/1315331936.db2.gz JIWRJJSBHYIOMZ-AWEZNQCLSA-N 1 0 335.404 2.449 20 5 EEBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@H]4CCC[NH2+]C4)no3)n2)c1 ZINC000842667718 1315750735 /nfs/dbraw/zinc/75/07/35/1315750735.db2.gz KCEDGNGCRSPTCH-NSHDSACASA-N 1 0 340.343 2.298 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000843086990 1315838363 /nfs/dbraw/zinc/83/83/63/1315838363.db2.gz HPRRYPZLAKEKCR-SJLPKXTDSA-N 1 0 346.383 2.048 20 5 EEBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843088392 1315839097 /nfs/dbraw/zinc/83/90/97/1315839097.db2.gz MZYIDZOUKQZHON-AVGNSLFASA-N 1 0 336.310 2.166 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000843509681 1315926053 /nfs/dbraw/zinc/92/60/53/1315926053.db2.gz OPVYHQDJKTZYRT-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO COc1ccnc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001249343321 1317056567 /nfs/dbraw/zinc/05/65/67/1317056567.db2.gz XLGOOVHQYRWFFO-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252885248 1317712374 /nfs/dbraw/zinc/71/23/74/1317712374.db2.gz GTFONZKTPCAFJV-OAHLLOKOSA-N 1 0 332.404 2.494 20 5 EEBDRO CC(=O)N1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254470761 1318082980 /nfs/dbraw/zinc/08/29/80/1318082980.db2.gz TYAWLDPANLTMNC-HNNXBMFYSA-N 1 0 346.431 2.022 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581988 1318130305 /nfs/dbraw/zinc/13/03/05/1318130305.db2.gz RKJOKWJVJRYHQI-CVEARBPZSA-N 1 0 325.368 2.288 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001156770107 1318203530 /nfs/dbraw/zinc/20/35/30/1318203530.db2.gz BEESMRNGKDWSEN-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO [NH3+]CC[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001157745222 1318829632 /nfs/dbraw/zinc/82/96/32/1318829632.db2.gz LMJMCFCHNLQLNO-SNVBAGLBSA-N 1 0 334.763 2.466 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC001158144479 1319042030 /nfs/dbraw/zinc/04/20/30/1319042030.db2.gz CVWJIHXQJGIYSK-UHFFFAOYSA-N 1 0 328.288 2.200 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NCc3ncn4c3C[NH2+]CCC4)ccc21 ZINC001158359828 1319200092 /nfs/dbraw/zinc/20/00/92/1319200092.db2.gz YCBQITZBRIMCII-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001158500966 1319273570 /nfs/dbraw/zinc/27/35/70/1319273570.db2.gz DXXYABMRTOOELN-LBPRGKRZSA-N 1 0 336.392 2.085 20 5 EEBDRO CCOc1nc(N2CCCc3ccc(C[NH3+])nc32)ccc1[N+](=O)[O-] ZINC001158653031 1319357984 /nfs/dbraw/zinc/35/79/84/1319357984.db2.gz YJCACMAWARSLDL-UHFFFAOYSA-N 1 0 329.360 2.327 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001160337805 1320138214 /nfs/dbraw/zinc/13/82/14/1320138214.db2.gz LXJPNDCOESBTNP-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCc2cc(F)cc(F)c2)nc1C1C[NH2+]C1 ZINC001160574283 1320202971 /nfs/dbraw/zinc/20/29/71/1320202971.db2.gz AVRQRSUECOVRBP-UHFFFAOYSA-N 1 0 335.314 2.004 20 5 EEBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160738745 1320254370 /nfs/dbraw/zinc/25/43/70/1320254370.db2.gz QAHYQYMWTIXNGI-ICSRJNTNSA-N 1 0 333.435 2.498 20 5 EEBDRO Cc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC001161990202 1320710086 /nfs/dbraw/zinc/71/00/86/1320710086.db2.gz MNJFVSHJPYPQGB-UHFFFAOYSA-N 1 0 345.378 2.373 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162033306 1320727374 /nfs/dbraw/zinc/72/73/74/1320727374.db2.gz RLHOIGYYSJMDJR-UHFFFAOYSA-N 1 0 348.794 2.167 20 5 EEBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001162041383 1320730380 /nfs/dbraw/zinc/73/03/80/1320730380.db2.gz HORBMABUEPKTAJ-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC001162732362 1320943657 /nfs/dbraw/zinc/94/36/57/1320943657.db2.gz DNHOKUFMPYLVSZ-AWEZNQCLSA-N 1 0 339.392 2.147 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c2ncnc(Cl)c2c1 ZINC001162803545 1320962547 /nfs/dbraw/zinc/96/25/47/1320962547.db2.gz SNOPPNTTYUGERM-JFUSQASVSA-N 1 0 331.763 2.377 20 5 EEBDRO Cc1cc(Cl)c(NCc2nnc3n2CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163028306 1321019117 /nfs/dbraw/zinc/01/91/17/1321019117.db2.gz YWVSUWDOKFCGNQ-UHFFFAOYSA-N 1 0 336.783 2.254 20 5 EEBDRO COc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001163282588 1321086740 /nfs/dbraw/zinc/08/67/40/1321086740.db2.gz AIIHCOJFAQJCLP-GUYCJALGSA-N 1 0 335.404 2.482 20 5 EEBDRO Cc1cncc(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001163318332 1321095903 /nfs/dbraw/zinc/09/59/03/1321095903.db2.gz UTAZSPYOJXTPEH-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc2cccnc21 ZINC001163325625 1321098410 /nfs/dbraw/zinc/09/84/10/1321098410.db2.gz BSHHVBWVUGMWJM-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccon1 ZINC001163603368 1321168368 /nfs/dbraw/zinc/16/83/68/1321168368.db2.gz AGCUASJDJYAPCR-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cocn1 ZINC001163799564 1321219991 /nfs/dbraw/zinc/21/99/91/1321219991.db2.gz OBBAYYKJTSXNSU-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO CCc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001164494286 1321395907 /nfs/dbraw/zinc/39/59/07/1321395907.db2.gz DBRUZHGTCILQIE-IAGOWNOFSA-N 1 0 345.443 2.290 20 5 EEBDRO Nc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165084523 1321451832 /nfs/dbraw/zinc/45/18/32/1321451832.db2.gz LEOHZXRQSOUXPM-WMLDXEAASA-N 1 0 339.399 2.283 20 5 EEBDRO C[NH+](C)C1(C)CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165119644 1321458190 /nfs/dbraw/zinc/45/81/90/1321458190.db2.gz FCEXQDSHCXGLLY-UHFFFAOYSA-N 1 0 339.705 2.197 20 5 EEBDRO C[NH+]1C[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C1 ZINC001165145971 1321465318 /nfs/dbraw/zinc/46/53/18/1321465318.db2.gz AINQJUIZPHRINL-RKDXNWHRSA-N 1 0 332.738 2.186 20 5 EEBDRO [NH3+][C@@H]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166959940 1321826316 /nfs/dbraw/zinc/82/63/16/1321826316.db2.gz DLXJBZUSFWGPPD-ZCFIWIBFSA-N 1 0 327.118 2.469 20 5 EEBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001262042046 1322225302 /nfs/dbraw/zinc/22/53/02/1322225302.db2.gz YHIJQWXBZZSHNK-CQSZACIVSA-N 1 0 347.396 2.452 20 5 EEBDRO COc1ncc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001210136257 1325173920 /nfs/dbraw/zinc/17/39/20/1325173920.db2.gz HQIKSDQUFXCTOW-UHFFFAOYSA-N 1 0 332.364 2.205 20 5 EEBDRO C[C@H](CC[NH+](C)C)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001306950089 1331502062 /nfs/dbraw/zinc/50/20/62/1331502062.db2.gz YAWVBIGYLWJFNE-SNVBAGLBSA-N 1 0 333.348 2.225 20 5 EEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@H]1CSCC[NH2+]1 ZINC001307201309 1331516770 /nfs/dbraw/zinc/51/67/70/1331516770.db2.gz LGCPQUTWQONGSJ-VIFPVBQESA-N 1 0 338.820 2.335 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC001308447656 1331592637 /nfs/dbraw/zinc/59/26/37/1331592637.db2.gz RMKASNBJWGVMCB-INIZCTEOSA-N 1 0 349.431 2.266 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318829991 1332605844 /nfs/dbraw/zinc/60/58/44/1332605844.db2.gz ZDFXBOCCMVMICT-JKSUJKDBSA-N 1 0 330.388 2.247 20 5 EEBDRO CN(CC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001318866500 1332614521 /nfs/dbraw/zinc/61/45/21/1332614521.db2.gz RGVXOCXYYOPGGO-KGLIPLIRSA-N 1 0 334.420 2.020 20 5 EEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001321386121 1333091160 /nfs/dbraw/zinc/09/11/60/1333091160.db2.gz JEFFMLUXRDCBAN-JSGCOSHPSA-N 1 0 349.387 2.163 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322194421 1333225535 /nfs/dbraw/zinc/22/55/35/1333225535.db2.gz LNKWGXRGGXFYSG-GJZGRUSLSA-N 1 0 330.388 2.247 20 5 EEBDRO CC(C)(CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001609084317 1351835204 /nfs/dbraw/zinc/83/52/04/1351835204.db2.gz URTNYWJEESTPEW-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC001328115669 1334399372 /nfs/dbraw/zinc/39/93/72/1334399372.db2.gz JUYACOUIRCWZHM-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001328398028 1334454065 /nfs/dbraw/zinc/45/40/65/1334454065.db2.gz FEAJBGMHQRTAMN-CQSZACIVSA-N 1 0 346.431 2.488 20 5 EEBDRO Cc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001328917807 1334547499 /nfs/dbraw/zinc/54/74/99/1334547499.db2.gz AHGQOTGQDVYELB-BZNIZROVSA-N 1 0 348.359 2.073 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329114898 1334588482 /nfs/dbraw/zinc/58/84/82/1334588482.db2.gz RGRAKYQBBXFAQQ-KCJUWKMLSA-N 1 0 331.294 2.239 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001329499308 1334663260 /nfs/dbraw/zinc/66/32/60/1334663260.db2.gz SBFWMKDWFJBERM-CYBMUJFWSA-N 1 0 332.404 2.098 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccn1 ZINC001329961529 1334749810 /nfs/dbraw/zinc/74/98/10/1334749810.db2.gz JWMOLCHNRODVOI-UHFFFAOYSA-N 1 0 345.355 2.287 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC001333684456 1336104720 /nfs/dbraw/zinc/10/47/20/1336104720.db2.gz KEXORHTZFJJVSB-CYBMUJFWSA-N 1 0 335.795 2.350 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2)c1 ZINC001335497996 1336385037 /nfs/dbraw/zinc/38/50/37/1336385037.db2.gz OFCTWDIWBIMOIJ-TZMCWYRMSA-N 1 0 347.337 2.245 20 5 EEBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)C[C@H]1C ZINC001338152358 1336803785 /nfs/dbraw/zinc/80/37/85/1336803785.db2.gz DSUWMYUKUCMLDD-GFCCVEGCSA-N 1 0 344.419 2.229 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001338551804 1336875817 /nfs/dbraw/zinc/87/58/17/1336875817.db2.gz OVEVKYBVOIMDCL-GDBMZVCRSA-N 1 0 331.372 2.470 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001576017801 1343947072 /nfs/dbraw/zinc/94/70/72/1343947072.db2.gz YMKLZMXWWDJNIO-CHWSQXEVSA-N 1 0 334.420 2.467 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001579179973 1344348949 /nfs/dbraw/zinc/34/89/49/1344348949.db2.gz KLERHSSMESXDGZ-WXHSDQCUSA-N 1 0 334.376 2.248 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC001579877477 1344424929 /nfs/dbraw/zinc/42/49/29/1344424929.db2.gz PBZGCQQARKGWOQ-HNNXBMFYSA-N 1 0 349.822 2.400 20 5 EEBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001580427832 1344518876 /nfs/dbraw/zinc/51/88/76/1344518876.db2.gz USLDFTNCRGVHPE-AULYBMBSSA-N 1 0 326.356 2.124 20 5 EEBDRO Nc1c(C(=O)N(C2CCC2)C2C[NH2+]C2)cc2ccccc2c1[N+](=O)[O-] ZINC001580431632 1344519375 /nfs/dbraw/zinc/51/93/75/1344519375.db2.gz POYHLCNOJBHELP-UHFFFAOYSA-N 1 0 340.383 2.297 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001580566266 1344537579 /nfs/dbraw/zinc/53/75/79/1344537579.db2.gz PNAZFVWAJKBEOT-SJKOYZFVSA-N 1 0 342.399 2.219 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1(C(F)(F)F)CC[NH2+]CC1 ZINC001580570163 1344539262 /nfs/dbraw/zinc/53/92/62/1344539262.db2.gz OQUNOWREIBBNLI-UHFFFAOYSA-N 1 0 349.284 2.077 20 5 EEBDRO CC(C)(C)[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001589136053 1348964270 /nfs/dbraw/zinc/96/42/70/1348964270.db2.gz OCIFWSOAGBKJNL-UHFFFAOYSA-N 1 0 345.407 2.450 20 5 EEBDRO CC(C)C[N@H+](C)CCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001589614310 1349012095 /nfs/dbraw/zinc/01/20/95/1349012095.db2.gz TTXUGZIWXKUGEH-UHFFFAOYSA-N 1 0 333.396 2.165 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590733070 1349393224 /nfs/dbraw/zinc/39/32/24/1349393224.db2.gz URHHOKDQIBACMX-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001603078440 1350635018 /nfs/dbraw/zinc/63/50/18/1350635018.db2.gz YHOGSTOVSPMIEN-UHFFFAOYSA-N 1 0 345.407 2.450 20 5 EEBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001604110561 1350861561 /nfs/dbraw/zinc/86/15/61/1350861561.db2.gz YNYSNXPBRQNRPO-LBPRGKRZSA-N 1 0 334.405 2.102 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604679874 1350983714 /nfs/dbraw/zinc/98/37/14/1350983714.db2.gz OGOGRTPLJDVPFJ-UONOGXRCSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605723101 1351218119 /nfs/dbraw/zinc/21/81/19/1351218119.db2.gz ODRZJCJLRGDPHG-KBPBESRZSA-N 1 0 345.407 2.224 20 5 EEBDRO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCC1CC[NH+](C2CC2)CC1 ZINC001607088541 1351413483 /nfs/dbraw/zinc/41/34/83/1351413483.db2.gz RLVOUSGGSKLLBQ-UHFFFAOYSA-N 1 0 349.420 2.123 20 5 EEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553449 1368032908 /nfs/dbraw/zinc/03/29/08/1368032908.db2.gz ANMOQTWQGVMGNK-UKRRQHHQSA-N 1 0 336.436 2.184 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000852713827 1369295808 /nfs/dbraw/zinc/29/58/08/1369295808.db2.gz PIGSANPMJSMICK-HOTGVXAUSA-N 1 0 338.310 2.230 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886672904 1369643728 /nfs/dbraw/zinc/64/37/28/1369643728.db2.gz WUSSUYAJHGZGTK-DFBGVHRSSA-N 1 0 326.368 2.185 20 5 EEBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc([N+](=O)[O-])c1C ZINC001342725286 1372950770 /nfs/dbraw/zinc/95/07/70/1372950770.db2.gz BTZYISWTFHMADJ-KRWDZBQOSA-N 1 0 333.388 2.270 20 5 EEBDRO CSc1ccc(C(=O)NCC[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC001343715789 1372960131 /nfs/dbraw/zinc/96/01/31/1372960131.db2.gz XLSRMLZTQPJLGA-LLVKDONJSA-N 1 0 341.458 2.142 20 5 EEBDRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC001348966840 1372978634 /nfs/dbraw/zinc/97/86/34/1372978634.db2.gz JQBXXEKUAGZCBM-OAHLLOKOSA-N 1 0 334.328 2.106 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000849429423 1373258174 /nfs/dbraw/zinc/25/81/74/1373258174.db2.gz PYSKNWIYIPPVQY-SNVBAGLBSA-N 1 0 349.840 2.175 20 5 EEBDRO CC(C)c1[nH]nc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001575846987 1403557409 /nfs/dbraw/zinc/55/74/09/1403557409.db2.gz FHRHZGBIZHONMA-LLVKDONJSA-N 1 0 343.387 2.219 20 5 EEBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001576475965 1403576811 /nfs/dbraw/zinc/57/68/11/1403576811.db2.gz CZXPIBZPGPQKNX-ZDUSSCGKSA-N 1 0 328.372 2.058 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001164664314 719388625 /nfs/dbraw/zinc/38/86/25/719388625.db2.gz AZUGJYIANZJVNH-CHWSQXEVSA-N 1 0 348.790 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2c1 ZINC000840252766 782457502 /nfs/dbraw/zinc/45/75/02/782457502.db2.gz YHRBTIUKHHCXKM-HUUCEWRRSA-N 1 0 328.372 2.418 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2c1 ZINC000840252761 782457632 /nfs/dbraw/zinc/45/76/32/782457632.db2.gz YHRBTIUKHHCXKM-CABCVRRESA-N 1 0 328.372 2.418 20 5 EEBDRO COCCCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204631023 764940544 /nfs/dbraw/zinc/94/05/44/764940544.db2.gz YQLOZWACHLSTJX-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893874563 780264460 /nfs/dbraw/zinc/26/44/60/780264460.db2.gz YWRJLGSJGOIIKR-LBPRGKRZSA-N 1 0 341.795 2.228 20 5 EEBDRO [NH3+]CCN(CC1CCC2(CC1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000809728444 783313715 /nfs/dbraw/zinc/31/37/15/783313715.db2.gz XKIKQRAPCLRJQU-UHFFFAOYSA-N 1 0 335.404 2.293 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1[nH]ccc1C1CC1 ZINC001129082732 783984559 /nfs/dbraw/zinc/98/45/59/783984559.db2.gz NIFNATYYOOCFNC-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO COc1cc(C(=O)NCc2ccc(CC[NH3+])cc2)cc([N+](=O)[O-])c1C ZINC000818536639 785281452 /nfs/dbraw/zinc/28/14/52/785281452.db2.gz ZJQGHTFBXLQZIY-UHFFFAOYSA-N 1 0 343.383 2.343 20 5 EEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000818544544 785288891 /nfs/dbraw/zinc/28/88/91/785288891.db2.gz IHLYCYMCKMMQCX-LLVKDONJSA-N 1 0 336.348 2.026 20 5 EEBDRO Cc1cc(F)cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000818564819 785295562 /nfs/dbraw/zinc/29/55/62/785295562.db2.gz NISWKELBNWBTHK-UHFFFAOYSA-N 1 0 330.319 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000819149804 785423738 /nfs/dbraw/zinc/42/37/38/785423738.db2.gz MADAUWVZJDPUQD-CZUORRHYSA-N 1 0 346.362 2.031 20 5 EEBDRO CCn1nc(C)c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000819938567 785732878 /nfs/dbraw/zinc/73/28/78/785732878.db2.gz LHBPXYXAPLDXIJ-UHFFFAOYSA-N 1 0 326.360 2.405 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000820552269 785969129 /nfs/dbraw/zinc/96/91/29/785969129.db2.gz MXFAIKCREFEROG-XVKPBYJWSA-N 1 0 344.774 2.134 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C23CC[NH+](CC2)C3)c([N+](=O)[O-])c1 ZINC001107276197 786688825 /nfs/dbraw/zinc/68/88/25/786688825.db2.gz BRCLXNGJXWKDIJ-IHWYPQMZSA-N 1 0 344.415 2.083 20 5 EEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823599345 787824627 /nfs/dbraw/zinc/82/46/27/787824627.db2.gz SJYFPTPENLQPNN-GOSISDBHSA-N 1 0 343.383 2.033 20 5 EEBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824003034 787996526 /nfs/dbraw/zinc/99/65/26/787996526.db2.gz MFAZGKXYCCRVRR-VXGBXAGGSA-N 1 0 335.408 2.419 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000843513383 788668971 /nfs/dbraw/zinc/66/89/71/788668971.db2.gz CPMLAOWKKIOAKB-UHFFFAOYSA-N 1 0 329.759 2.188 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455722 789113702 /nfs/dbraw/zinc/11/37/02/789113702.db2.gz OLMRLCRRHJHCNP-PHIMTYICSA-N 1 0 341.314 2.129 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168547175 789164717 /nfs/dbraw/zinc/16/47/17/789164717.db2.gz AESOBBHXPVBHDW-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO CN1Cc2cc(N3c4ccccc4OC[C@H]3C[NH3+])cc([N+](=O)[O-])c2N1 ZINC001171397384 794699706 /nfs/dbraw/zinc/69/97/06/794699706.db2.gz PKKPAVXXNOKGAS-CYBMUJFWSA-N 1 0 341.371 2.225 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(I)c(F)cn1 ZINC001234522486 795285539 /nfs/dbraw/zinc/28/55/39/795285539.db2.gz NDFNWBGDAMCGHA-MRVPVSSYSA-N 1 0 339.172 2.299 20 5 EEBDRO Cc1cnc(NCCCNC(=O)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001094454993 796263560 /nfs/dbraw/zinc/26/35/60/796263560.db2.gz FPYAVLGCYWKUMK-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110158220 796291973 /nfs/dbraw/zinc/29/19/73/796291973.db2.gz FKJVMNAIRLPGMU-UHFFFAOYSA-N 1 0 338.383 2.135 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001094737164 796553901 /nfs/dbraw/zinc/55/39/01/796553901.db2.gz YGEZFKTVUWUQBB-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1cc(NCCCNC(=O)C23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC001094893009 796932534 /nfs/dbraw/zinc/93/25/34/796932534.db2.gz AYNKXIOKBRTUOB-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(N3CCCC3)COC1)CC2 ZINC001172900789 797129027 /nfs/dbraw/zinc/12/90/27/797129027.db2.gz FOVJISLKKPIJDW-QGZVFWFLSA-N 1 0 345.443 2.297 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(C[C@@H](O)CO3)CC1)CC2 ZINC001172903726 797131283 /nfs/dbraw/zinc/13/12/83/797131283.db2.gz IYHCOHKXQZPGOO-SJLPKXTDSA-N 1 0 346.427 2.458 20 5 EEBDRO [NH3+]Cc1cncn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006137 797193876 /nfs/dbraw/zinc/19/38/76/797193876.db2.gz NLNODLCJFOMKII-UHFFFAOYSA-N 1 0 337.330 2.370 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ncccn2)c1F ZINC001173178122 797278028 /nfs/dbraw/zinc/27/80/28/797278028.db2.gz AEMSTGGEONLGRE-NSHDSACASA-N 1 0 334.351 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CC(C)C)C(N)=O)c1F ZINC001173181102 797279595 /nfs/dbraw/zinc/27/95/95/797279595.db2.gz ATNWDNPADAYWLX-JQWIXIFHSA-N 1 0 341.383 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1F ZINC001173198415 797284276 /nfs/dbraw/zinc/28/42/76/797284276.db2.gz ZHIHHGWTSCPEPX-UPJWGTAASA-N 1 0 337.395 2.167 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001095247579 797598119 /nfs/dbraw/zinc/59/81/19/797598119.db2.gz PSJSOJHWQHYSRO-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC001175658461 798188119 /nfs/dbraw/zinc/18/81/19/798188119.db2.gz BOWAOVPDAQYYFP-UHFFFAOYSA-N 1 0 344.415 2.460 20 5 EEBDRO C/C=C(\C)C(=O)NCCCCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001178149260 799300810 /nfs/dbraw/zinc/30/08/10/799300810.db2.gz KMGCRKLDVBQINO-YIXHJXPBSA-N 1 0 337.424 2.061 20 5 EEBDRO Cc1nocc1C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003534836 799794139 /nfs/dbraw/zinc/79/41/39/799794139.db2.gz IFMVUEALQLLABL-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cc1ncn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c1CSCC[NH3+] ZINC001168784152 803325881 /nfs/dbraw/zinc/32/58/81/803325881.db2.gz VEIMTOCDOQOQQG-UHFFFAOYSA-N 1 0 332.389 2.157 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168977282 803542728 /nfs/dbraw/zinc/54/27/28/803542728.db2.gz JDWONMKHHPJIDF-RQJABVFESA-N 1 0 327.425 2.467 20 5 EEBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981244 803545246 /nfs/dbraw/zinc/54/52/46/803545246.db2.gz GWFKHWZMKVQWPJ-UPJWGTAASA-N 1 0 333.388 2.156 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)C1 ZINC001168955729 803548726 /nfs/dbraw/zinc/54/87/26/803548726.db2.gz BOXORZPHVJHLHQ-WCQYABFASA-N 1 0 339.827 2.134 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964237 803551946 /nfs/dbraw/zinc/55/19/46/803551946.db2.gz SCVALJDVWOZTJP-YIYPIFLZSA-N 1 0 327.425 2.325 20 5 EEBDRO CC1(COc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cn2)COC1 ZINC001168997938 803563248 /nfs/dbraw/zinc/56/32/48/803563248.db2.gz GRPJRXBVDINWIX-ZFWWWQNUSA-N 1 0 335.404 2.032 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007123 803568658 /nfs/dbraw/zinc/56/86/58/803568658.db2.gz LJAKMVQNWMWQQL-OCCSQVGLSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011289 803570701 /nfs/dbraw/zinc/57/07/01/803570701.db2.gz JIITYRFTMFSJRL-SEBNEYGDSA-N 1 0 339.436 2.419 20 5 EEBDRO NC(=O)c1ccc(OC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036767 803580119 /nfs/dbraw/zinc/58/01/19/803580119.db2.gz HHVOZPXTRKEEED-HIFRSBDPSA-N 1 0 347.415 2.074 20 5 EEBDRO CCn1ncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001169025022 803590361 /nfs/dbraw/zinc/59/03/61/803590361.db2.gz LRWOXWREUUIPHZ-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1ccc(F)cc1 ZINC001169055862 803596878 /nfs/dbraw/zinc/59/68/78/803596878.db2.gz QVUXRPKLJVKOJG-XKQJLSEDSA-N 1 0 349.406 2.465 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)CCC[NH+]1CCCC1 ZINC001109465904 805509615 /nfs/dbraw/zinc/50/96/15/805509615.db2.gz ZIBMJZFLCOLMBM-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO CC[C@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000792431298 809747239 /nfs/dbraw/zinc/74/72/39/809747239.db2.gz KDVDELGVZAWOIQ-AWEZNQCLSA-N 1 0 327.768 2.345 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328386 809893227 /nfs/dbraw/zinc/89/32/27/809893227.db2.gz KHKBWMPLEWUEHD-HZUKXOBISA-N 1 0 326.368 2.329 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC001170352402 809901123 /nfs/dbraw/zinc/90/11/23/809901123.db2.gz MPDUJAGIWBRYDD-YVEFUNNKSA-N 1 0 349.387 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)Cc3ccccc3)nc2c1 ZINC001308706035 1126168374 /nfs/dbraw/zinc/16/83/74/1126168374.db2.gz ZWYHJVMXDDVNEA-CYBMUJFWSA-N 1 0 327.340 2.429 20 5 EEBDRO CC[C@@](C)(O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000189736821 529508123 /nfs/dbraw/zinc/50/81/23/529508123.db2.gz APVXEUFRQAPFEG-QGZVFWFLSA-N 1 0 332.404 2.455 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267134741 282228941 /nfs/dbraw/zinc/22/89/41/282228941.db2.gz BKOSUGIJDKSAEW-KXPUMZMLSA-N 1 0 335.429 2.162 20 5 EEBDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000178660072 232349772 /nfs/dbraw/zinc/34/97/72/232349772.db2.gz QUCCUIKLDKVCQI-DOMZBBRYSA-N 1 0 343.387 2.093 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000103143759 219262541 /nfs/dbraw/zinc/26/25/41/219262541.db2.gz CKYXFOVOBGKHJR-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186776789 236015975 /nfs/dbraw/zinc/01/59/75/236015975.db2.gz LEGROPNTIBUKIZ-CZUORRHYSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000421891916 240045044 /nfs/dbraw/zinc/04/50/44/240045044.db2.gz KXVTXMOREKSRPL-HNNXBMFYSA-N 1 0 349.431 2.442 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423563861 240528749 /nfs/dbraw/zinc/52/87/49/240528749.db2.gz XKNROWATCBKSLD-KOLCDFICSA-N 1 0 343.836 2.455 20 5 EEBDRO CCN(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000425975263 241191369 /nfs/dbraw/zinc/19/13/69/241191369.db2.gz BQVGZVFPOJTUBE-UHFFFAOYSA-N 1 0 344.419 2.480 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2ccnn2)C1 ZINC000425348840 241134570 /nfs/dbraw/zinc/13/45/70/241134570.db2.gz JRPJZJWLHHERNP-HNNXBMFYSA-N 1 0 331.376 2.422 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760256 242107157 /nfs/dbraw/zinc/10/71/57/242107157.db2.gz GEIWIPCVTLVULP-PBWFPOADSA-N 1 0 332.404 2.057 20 5 EEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccn1 ZINC000451378944 243094891 /nfs/dbraw/zinc/09/48/91/243094891.db2.gz SQFWXIYTTDJTFC-UHFFFAOYSA-N 1 0 342.355 2.420 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCN3CCOCC3)C2)cc1 ZINC000451553155 243155806 /nfs/dbraw/zinc/15/58/06/243155806.db2.gz XQNZTLKKPAZRSE-QGZVFWFLSA-N 1 0 333.432 2.497 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246223380 243214820 /nfs/dbraw/zinc/21/48/20/243214820.db2.gz ZNXPUFAKZUAEHT-KGLIPLIRSA-N 1 0 334.420 2.195 20 5 EEBDRO O=C(CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451611404 243177199 /nfs/dbraw/zinc/17/71/99/243177199.db2.gz PHIJYIIBEXBXMC-RDTXWAMCSA-N 1 0 347.415 2.310 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452134799 243351686 /nfs/dbraw/zinc/35/16/86/243351686.db2.gz VCHYXEJIJGBGTH-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000456366255 244232083 /nfs/dbraw/zinc/23/20/83/244232083.db2.gz ZOXJLDPNSUCAPO-OAHLLOKOSA-N 1 0 344.415 2.492 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078439276 217052405 /nfs/dbraw/zinc/05/24/05/217052405.db2.gz HDPLMZROVFVSBS-AWEZNQCLSA-N 1 0 348.403 2.089 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265206601 247297831 /nfs/dbraw/zinc/29/78/31/247297831.db2.gz AEULZASTLWMHAU-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000265274742 247361614 /nfs/dbraw/zinc/36/16/14/247361614.db2.gz PGEYEQHYDNCKNY-SNVBAGLBSA-N 1 0 329.784 2.083 20 5 EEBDRO COCCCOC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357837 224242522 /nfs/dbraw/zinc/24/25/22/224242522.db2.gz OKPRZRRWFLESJD-QGZVFWFLSA-N 1 0 338.404 2.146 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1[N+](=O)[O-] ZINC000269075648 255525213 /nfs/dbraw/zinc/52/52/13/255525213.db2.gz XJYQKFPJBMEERK-DLBZAZTESA-N 1 0 347.415 2.093 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267173552 256034226 /nfs/dbraw/zinc/03/42/26/256034226.db2.gz LPULCSGWJZLNJX-HNNXBMFYSA-N 1 0 338.433 2.462 20 5 EEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491570 256140699 /nfs/dbraw/zinc/14/06/99/256140699.db2.gz MIMYLOVIBUQDLJ-JCURWCKSSA-N 1 0 345.399 2.471 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1[NH+](C)C ZINC000270503008 256142199 /nfs/dbraw/zinc/14/21/99/256142199.db2.gz PTYBHDNWQNLNIX-ZYHUDNBSSA-N 1 0 329.447 2.082 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271747225 256240122 /nfs/dbraw/zinc/24/01/22/256240122.db2.gz WUVBUOOXHIXQBU-IUODEOHRSA-N 1 0 342.417 2.049 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273109095 256266446 /nfs/dbraw/zinc/26/64/46/256266446.db2.gz KJTDTQLZZBQLAZ-SNVBAGLBSA-N 1 0 343.836 2.408 20 5 EEBDRO CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273506715 256302196 /nfs/dbraw/zinc/30/21/96/256302196.db2.gz NATCHHOQLFWUOE-HOTGVXAUSA-N 1 0 349.456 2.176 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106380 256354533 /nfs/dbraw/zinc/35/45/33/256354533.db2.gz VFXVNPBZHAEXAM-WOPDTQHZSA-N 1 0 337.376 2.099 20 5 EEBDRO CC[NH+]1CCN(c2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)CC1 ZINC000274494659 256376237 /nfs/dbraw/zinc/37/62/37/256376237.db2.gz QRWIUXIYOIQERH-UHFFFAOYSA-N 1 0 330.392 2.214 20 5 EEBDRO O=C1NCCCC[C@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119196717 221263953 /nfs/dbraw/zinc/26/39/53/221263953.db2.gz MJRCTOQUGCBILY-MRXNPFEDSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000276970617 256484592 /nfs/dbraw/zinc/48/45/92/256484592.db2.gz FTTNLODPGFMDKC-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CSCC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159147796 533602648 /nfs/dbraw/zinc/60/26/48/533602648.db2.gz RMMOGILAVZUNPV-CQSZACIVSA-N 1 0 325.434 2.114 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497608 296498499 /nfs/dbraw/zinc/49/84/99/296498499.db2.gz AQQKYVCSSGIKAC-SJORKVTESA-N 1 0 348.399 2.348 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000356607528 141025234 /nfs/dbraw/zinc/02/52/34/141025234.db2.gz OHAMPNALWHXZNW-UHFFFAOYSA-N 1 0 348.447 2.085 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000119773892 142377253 /nfs/dbraw/zinc/37/72/53/142377253.db2.gz HWJGWGVOYTYQGT-HNNXBMFYSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000061238615 292150818 /nfs/dbraw/zinc/15/08/18/292150818.db2.gz FSZHRMDXIDBPSA-UHFFFAOYSA-N 1 0 346.431 2.411 20 5 EEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119246309 292242868 /nfs/dbraw/zinc/24/28/68/292242868.db2.gz PDAPBCRLAIIUIH-LBPRGKRZSA-N 1 0 327.812 2.137 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121107268 292261404 /nfs/dbraw/zinc/26/14/04/292261404.db2.gz QHQDOEAFBCTWQL-OAHLLOKOSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262588703 152294612 /nfs/dbraw/zinc/29/46/12/152294612.db2.gz YANNBDFVMUIAJB-MNOVXSKESA-N 1 0 341.795 2.131 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000252695997 160393498 /nfs/dbraw/zinc/39/34/98/160393498.db2.gz BAKPXEMOPWMBFA-ZIAGYGMSSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1nc(Cc2ccccc2)no1 ZINC000131000011 292381343 /nfs/dbraw/zinc/38/13/43/292381343.db2.gz SZJOJNOQIBQONG-LBPRGKRZSA-N 1 0 342.359 2.116 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246182189 160266020 /nfs/dbraw/zinc/26/60/20/160266020.db2.gz KMXJCWSAWWCYGS-CABCVRRESA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1cccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000342744344 161087646 /nfs/dbraw/zinc/08/76/46/161087646.db2.gz XZKVHNDXPZWIFD-HNNXBMFYSA-N 1 0 331.372 2.170 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342871361 161096989 /nfs/dbraw/zinc/09/69/89/161096989.db2.gz DXNVJFLYWIIKGU-NSHDSACASA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000344937349 161257702 /nfs/dbraw/zinc/25/77/02/161257702.db2.gz RLSKRXKDDXUFPZ-SJKOYZFVSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000351955702 162000472 /nfs/dbraw/zinc/00/04/72/162000472.db2.gz KTRJNFVLXLYMGG-NXEZZACHSA-N 1 0 343.330 2.409 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000351955704 162000518 /nfs/dbraw/zinc/00/05/18/162000518.db2.gz KTRJNFVLXLYMGG-VHSXEESVSA-N 1 0 343.330 2.409 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000352504855 162163299 /nfs/dbraw/zinc/16/32/99/162163299.db2.gz VMNIYIDMIBTJIQ-CYBMUJFWSA-N 1 0 331.376 2.348 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352659160 162231369 /nfs/dbraw/zinc/23/13/69/162231369.db2.gz LXBVJAYZMWGCTE-YPMHNXCESA-N 1 0 327.768 2.032 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[C@H](CO)O3)cs2)c1 ZINC000353705176 162661548 /nfs/dbraw/zinc/66/15/48/162661548.db2.gz BNCZQCJJJXBANC-LSDHHAIUSA-N 1 0 349.412 2.348 20 5 EEBDRO CN1CC[NH+](CC2(C)CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000367811307 166005973 /nfs/dbraw/zinc/00/59/73/166005973.db2.gz CRMDNIXDWBSSEI-UHFFFAOYSA-N 1 0 347.463 2.031 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+](CC)CC ZINC000360021951 164217560 /nfs/dbraw/zinc/21/75/60/164217560.db2.gz GLWLGCQKDXIAOK-GFCCVEGCSA-N 1 0 343.449 2.166 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCC[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000360740907 164372818 /nfs/dbraw/zinc/37/28/18/164372818.db2.gz XRAHBWSWOFXMKD-CQSZACIVSA-N 1 0 337.420 2.277 20 5 EEBDRO CNc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000361162555 164436086 /nfs/dbraw/zinc/43/60/86/164436086.db2.gz UENMJEDHSPUECB-ZDUSSCGKSA-N 1 0 334.420 2.488 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000369382352 166249437 /nfs/dbraw/zinc/24/94/37/166249437.db2.gz AEVSYWLSPFTXLE-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374004084 167001324 /nfs/dbraw/zinc/00/13/24/167001324.db2.gz UXXDMOZFQPBCFB-ZFWWWQNUSA-N 1 0 332.356 2.417 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374100624 167017766 /nfs/dbraw/zinc/01/77/66/167017766.db2.gz UOGXINCLQRDXCG-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO CCC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000375652467 167175471 /nfs/dbraw/zinc/17/54/71/167175471.db2.gz BTPSBBLXFSPZTF-KBPBESRZSA-N 1 0 333.388 2.463 20 5 EEBDRO C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000376434905 167324915 /nfs/dbraw/zinc/32/49/15/167324915.db2.gz QHHFHYKSXXHMDQ-MRXNPFEDSA-N 1 0 339.367 2.299 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000158296354 224984589 /nfs/dbraw/zinc/98/45/89/224984589.db2.gz NHUNDORXVJVQHD-ZDUSSCGKSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000347510323 287360286 /nfs/dbraw/zinc/36/02/86/287360286.db2.gz DGEWAMSCMAOMLQ-CYBMUJFWSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000124219151 222393531 /nfs/dbraw/zinc/39/35/31/222393531.db2.gz ICEGBMGCFXCSAU-ZDUSSCGKSA-N 1 0 334.420 2.275 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000248643307 292634477 /nfs/dbraw/zinc/63/44/77/292634477.db2.gz ZXJFEUCVONEMRS-JYJNAYRXSA-N 1 0 333.388 2.247 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000272371079 268962191 /nfs/dbraw/zinc/96/21/91/268962191.db2.gz RYQXKRVRWBFYMJ-KBPBESRZSA-N 1 0 338.433 2.413 20 5 EEBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272648542 269003864 /nfs/dbraw/zinc/00/38/64/269003864.db2.gz AFWZPXJMNRKZEC-CYBMUJFWSA-N 1 0 332.404 2.163 20 5 EEBDRO CCOc1cccc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275435346 269115150 /nfs/dbraw/zinc/11/51/50/269115150.db2.gz FIERSVQYSWIGJI-CYBMUJFWSA-N 1 0 337.420 2.275 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277093674 269142191 /nfs/dbraw/zinc/14/21/91/269142191.db2.gz VLDLQRYXTSPTKK-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000278251907 269219216 /nfs/dbraw/zinc/21/92/16/269219216.db2.gz CAWIXVVOYPHFLY-ZDUSSCGKSA-N 1 0 348.403 2.312 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)c(Cl)c1 ZINC000278338197 269224151 /nfs/dbraw/zinc/22/41/51/269224151.db2.gz HKDKLBMLNLWUOL-KBPBESRZSA-N 1 0 338.747 2.046 20 5 EEBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCC(C)CC1 ZINC000180528378 273553492 /nfs/dbraw/zinc/55/34/92/273553492.db2.gz FMDNUYHMQPRDNZ-HNNXBMFYSA-N 1 0 349.435 2.058 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000173321433 273996807 /nfs/dbraw/zinc/99/68/07/273996807.db2.gz XDAIQZCRBNECEO-INIZCTEOSA-N 1 0 348.378 2.350 20 5 EEBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125315205 274375875 /nfs/dbraw/zinc/37/58/75/274375875.db2.gz ZLPKPRICPAXGMA-SNVBAGLBSA-N 1 0 332.385 2.152 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([NH2+]C2CC2)CC1 ZINC000278715894 274392114 /nfs/dbraw/zinc/39/21/14/274392114.db2.gz OIYSSVKICLMCKZ-UHFFFAOYSA-N 1 0 333.388 2.411 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126101 274435497 /nfs/dbraw/zinc/43/54/97/274435497.db2.gz QQAZKPGKPQXYNE-HOTGVXAUSA-N 1 0 330.388 2.374 20 5 EEBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285767091 274788865 /nfs/dbraw/zinc/78/88/65/274788865.db2.gz SNSXNIDWJXNQCS-ZDUSSCGKSA-N 1 0 349.387 2.464 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000286170060 274844265 /nfs/dbraw/zinc/84/42/65/274844265.db2.gz PKWKSSXCOKPFKS-CQSZACIVSA-N 1 0 336.392 2.309 20 5 EEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000119328167 275040256 /nfs/dbraw/zinc/04/02/56/275040256.db2.gz MYQVBEQNRJOHFB-RBUKOAKNSA-N 1 0 339.395 2.375 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000288451411 275059807 /nfs/dbraw/zinc/05/98/07/275059807.db2.gz ZACBZZPDTMWTFQ-GXTWGEPZSA-N 1 0 328.372 2.316 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289483890 275120290 /nfs/dbraw/zinc/12/02/90/275120290.db2.gz CCICZSNEARIALO-ZIAGYGMSSA-N 1 0 334.420 2.210 20 5 EEBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289716845 275142235 /nfs/dbraw/zinc/14/22/35/275142235.db2.gz IGHBAJMNNPSUOF-WCQYABFASA-N 1 0 330.331 2.312 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)n1 ZINC000290155389 275184856 /nfs/dbraw/zinc/18/48/56/275184856.db2.gz OBLWWEVZJDMIOS-QGZVFWFLSA-N 1 0 342.399 2.475 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)OC ZINC000291137882 275274419 /nfs/dbraw/zinc/27/44/19/275274419.db2.gz CLFMNNMCAARYHW-LBPRGKRZSA-N 1 0 339.392 2.289 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000368500085 277280305 /nfs/dbraw/zinc/28/03/05/277280305.db2.gz VRBZXJIWPAUGRR-MDZLAQPJSA-N 1 0 341.408 2.234 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269356819 278001901 /nfs/dbraw/zinc/00/19/01/278001901.db2.gz UIYKDPACINYXMX-CYBMUJFWSA-N 1 0 345.403 2.474 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423699200 278031946 /nfs/dbraw/zinc/03/19/46/278031946.db2.gz PBTIWMSTKNBWKN-CYBMUJFWSA-N 1 0 327.331 2.445 20 5 EEBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573913 278554821 /nfs/dbraw/zinc/55/48/21/278554821.db2.gz JOHIQEKWSKLQFR-UMNHJUIQSA-N 1 0 336.314 2.178 20 5 EEBDRO Cc1ccnc(N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000266766268 278984071 /nfs/dbraw/zinc/98/40/71/278984071.db2.gz WUXJYPIPHQBEEN-UHFFFAOYSA-N 1 0 334.420 2.379 20 5 EEBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964124 279271084 /nfs/dbraw/zinc/27/10/84/279271084.db2.gz AVPHUPIDTMIOIM-ABAIWWIYSA-N 1 0 326.418 2.385 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000193493836 280048615 /nfs/dbraw/zinc/04/86/15/280048615.db2.gz JAXSROXJIXFHOJ-LDYMZIIASA-N 1 0 331.294 2.484 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193291902 280396229 /nfs/dbraw/zinc/39/62/29/280396229.db2.gz UFXWDQHSJWKVHJ-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294195731 293393890 /nfs/dbraw/zinc/39/38/90/293393890.db2.gz PSZXPFLYDIUTEJ-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000158150187 311325189 /nfs/dbraw/zinc/32/51/89/311325189.db2.gz PIAQPPKYTOIEMK-LLVKDONJSA-N 1 0 339.392 2.023 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000160095803 311350206 /nfs/dbraw/zinc/35/02/06/311350206.db2.gz JMIJTQGVSLVTKH-UHFFFAOYSA-N 1 0 338.433 2.071 20 5 EEBDRO CCN(Cc1cnn(C)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000161075443 311361735 /nfs/dbraw/zinc/36/17/35/311361735.db2.gz KAOYMNZBQKNLOZ-UHFFFAOYSA-N 1 0 332.360 2.217 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000330663837 311774920 /nfs/dbraw/zinc/77/49/20/311774920.db2.gz FFUYFAKFMMFMOD-CYBMUJFWSA-N 1 0 326.418 2.385 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411723431 312566665 /nfs/dbraw/zinc/56/66/65/312566665.db2.gz BXQOYBKOQYCJOQ-WMLDXEAASA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)o2)cc1 ZINC000414550586 313039395 /nfs/dbraw/zinc/03/93/95/313039395.db2.gz ACNRHMCWAKAQQS-BBRMVZONSA-N 1 0 332.356 2.030 20 5 EEBDRO COCC[NH2+]CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414891392 313107283 /nfs/dbraw/zinc/10/72/83/313107283.db2.gz VPNQAEXDKZKGNK-UHFFFAOYSA-N 1 0 336.417 2.044 20 5 EEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416664184 313289346 /nfs/dbraw/zinc/28/93/46/313289346.db2.gz RZHQBJXHEKDNET-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417728800 313578079 /nfs/dbraw/zinc/57/80/79/313578079.db2.gz PJBDCSJWYJUVDC-JKSUJKDBSA-N 1 0 346.431 2.168 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418329115 313784137 /nfs/dbraw/zinc/78/41/37/313784137.db2.gz AOPDFQHRDRDXMA-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418408757 313805761 /nfs/dbraw/zinc/80/57/61/313805761.db2.gz MXTWZHJKQNQLOB-WFASDCNBSA-N 1 0 348.403 2.016 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418408755 313805860 /nfs/dbraw/zinc/80/58/60/313805860.db2.gz MXTWZHJKQNQLOB-IUODEOHRSA-N 1 0 348.403 2.016 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CC12CCCCC2 ZINC000431082539 314612342 /nfs/dbraw/zinc/61/23/42/314612342.db2.gz VJGIZHAOMPOLJZ-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000436295762 314955015 /nfs/dbraw/zinc/95/50/15/314955015.db2.gz ZTIFPUADKLPKKX-PSVOKBTDSA-N 1 0 340.449 2.166 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440416637 315130105 /nfs/dbraw/zinc/13/01/05/315130105.db2.gz OBZHKPCRXHALIO-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443963395 315266993 /nfs/dbraw/zinc/26/69/93/315266993.db2.gz UQSOUAVBCHRYCY-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000516968368 316622100 /nfs/dbraw/zinc/62/21/00/316622100.db2.gz BSPTYMVKCOOKEI-ZJUUUORDSA-N 1 0 328.800 2.216 20 5 EEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171055 317042098 /nfs/dbraw/zinc/04/20/98/317042098.db2.gz PBNAGGYPGKTQJE-OAHLLOKOSA-N 1 0 338.477 2.257 20 5 EEBDRO COCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000534336823 317942727 /nfs/dbraw/zinc/94/27/27/317942727.db2.gz GGMAIKZLRJTCAA-UHFFFAOYSA-N 1 0 342.399 2.458 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000540151205 318071102 /nfs/dbraw/zinc/07/11/02/318071102.db2.gz NYPWTBUEIHVFJV-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000544586890 318192204 /nfs/dbraw/zinc/19/22/04/318192204.db2.gz ZOMLVDOQDSLCRN-UHFFFAOYSA-N 1 0 348.403 2.164 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cnnc2CC)cc1[N+](=O)[O-] ZINC000545972044 318236896 /nfs/dbraw/zinc/23/68/96/318236896.db2.gz KEWOYPXIDYUZTO-GFCCVEGCSA-N 1 0 333.392 2.498 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546704879 318262125 /nfs/dbraw/zinc/26/21/25/318262125.db2.gz HJTCCWVIOPJSLF-UHFFFAOYSA-N 1 0 345.403 2.490 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548413228 318386876 /nfs/dbraw/zinc/38/68/76/318386876.db2.gz OIKVBZNWLCATBM-CQSZACIVSA-N 1 0 331.376 2.131 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004834 319234682 /nfs/dbraw/zinc/23/46/82/319234682.db2.gz FZKYDROBDJRJHY-LSDHHAIUSA-N 1 0 331.372 2.470 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000566150854 319252805 /nfs/dbraw/zinc/25/28/05/319252805.db2.gz IJTXELVSSXTYSR-CQSZACIVSA-N 1 0 332.404 2.241 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566248370 319264653 /nfs/dbraw/zinc/26/46/53/319264653.db2.gz BPEAKPUPZJQWDR-KBPBESRZSA-N 1 0 346.431 2.007 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(Cc3ccccc3)CCC2)c1 ZINC000573110751 319905626 /nfs/dbraw/zinc/90/56/26/319905626.db2.gz FHIPGUCMBATJBV-KRWDZBQOSA-N 1 0 344.415 2.155 20 5 EEBDRO COC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000578813724 323711795 /nfs/dbraw/zinc/71/17/95/323711795.db2.gz VOHODMMUYOFPBV-UHFFFAOYSA-N 1 0 347.371 2.197 20 5 EEBDRO O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000578979825 323749596 /nfs/dbraw/zinc/74/95/96/323749596.db2.gz NHBOKWWVAJRVTB-IBGZPJMESA-N 1 0 337.379 2.415 20 5 EEBDRO COCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000580710218 324116195 /nfs/dbraw/zinc/11/61/95/324116195.db2.gz QSAYFBRCRGLEOQ-CQSZACIVSA-N 1 0 338.404 2.131 20 5 EEBDRO C[C@H]1COCCN1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000581981719 324352913 /nfs/dbraw/zinc/35/29/13/324352913.db2.gz JQARKXPNZVNTPZ-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626257 324699884 /nfs/dbraw/zinc/69/98/84/324699884.db2.gz KGVJVZAPZFFDNY-FUHWJXTLSA-N 1 0 346.383 2.312 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)CCC2 ZINC000193052198 465025009 /nfs/dbraw/zinc/02/50/09/465025009.db2.gz BSHMXOHRAPJKTK-INIZCTEOSA-N 1 0 338.429 2.387 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000347456999 465033584 /nfs/dbraw/zinc/03/35/84/465033584.db2.gz YEGMYAFYIYJWFS-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354577949 465034677 /nfs/dbraw/zinc/03/46/77/465034677.db2.gz PTRRRFAHDUWZDW-TZMCWYRMSA-N 1 0 341.433 2.088 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 ZINC000326487600 465039436 /nfs/dbraw/zinc/03/94/36/465039436.db2.gz MIWFSCPAUDQSTA-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000339117467 465092808 /nfs/dbraw/zinc/09/28/08/465092808.db2.gz VJVLJIDRMINGKN-LBPRGKRZSA-N 1 0 331.372 2.454 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000354810601 465166256 /nfs/dbraw/zinc/16/62/56/465166256.db2.gz KVQBASUFVQENOQ-LOWVWBTDSA-N 1 0 335.408 2.104 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000351518903 465198432 /nfs/dbraw/zinc/19/84/32/465198432.db2.gz AMZGXDJEWKMBGH-WBVHZDCISA-N 1 0 335.404 2.373 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296451932 465200497 /nfs/dbraw/zinc/20/04/97/465200497.db2.gz XCCDFHQLBRIQGH-ISTRZQFTSA-N 1 0 338.404 2.128 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000358682606 465262408 /nfs/dbraw/zinc/26/24/08/465262408.db2.gz LSDPQWDMTFFYLJ-ZBFHGGJFSA-N 1 0 332.404 2.329 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590567138 468274059 /nfs/dbraw/zinc/27/40/59/468274059.db2.gz XRCZVXKCEPRYDI-QMTHXVAHSA-N 1 0 325.796 2.342 20 5 EEBDRO C[C@H]1CC[N@H+](CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048271 468302823 /nfs/dbraw/zinc/30/28/23/468302823.db2.gz MSZQGPGKSODDFY-WMLDXEAASA-N 1 0 343.431 2.349 20 5 EEBDRO C[NH+](C)CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000112915995 462553452 /nfs/dbraw/zinc/55/34/52/462553452.db2.gz BWGYYAYHQPTKLQ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590688609 468306840 /nfs/dbraw/zinc/30/68/40/468306840.db2.gz WGEYUBJQIQCWAZ-IAGOWNOFSA-N 1 0 342.399 2.178 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000153735332 462685019 /nfs/dbraw/zinc/68/50/19/462685019.db2.gz METAWTTWJVDZST-INIZCTEOSA-N 1 0 334.420 2.195 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644491 462702868 /nfs/dbraw/zinc/70/28/68/462702868.db2.gz YVOJXAMJBZKJQQ-WBVHZDCISA-N 1 0 342.399 2.346 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000090008424 462763921 /nfs/dbraw/zinc/76/39/21/462763921.db2.gz HXPYWFCQNVDOGS-MRXNPFEDSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000047920166 462836505 /nfs/dbraw/zinc/83/65/05/462836505.db2.gz DQECAKPKQZXXTC-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000120286956 462982942 /nfs/dbraw/zinc/98/29/42/462982942.db2.gz FQYMBFFRUHCOML-AWEZNQCLSA-N 1 0 346.431 2.313 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)cn1 ZINC000535785888 468330822 /nfs/dbraw/zinc/33/08/22/468330822.db2.gz KVJOYZMWNTUYKJ-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067914244 463066231 /nfs/dbraw/zinc/06/62/31/463066231.db2.gz IGNQUIQSKGQGDQ-CQSZACIVSA-N 1 0 349.431 2.383 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2ccncc21 ZINC000078405215 463113267 /nfs/dbraw/zinc/11/32/67/463113267.db2.gz PHKULSJTYOECIO-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000157257387 463113936 /nfs/dbraw/zinc/11/39/36/463113936.db2.gz SVOMEYHVTQUYRP-LLVKDONJSA-N 1 0 335.389 2.004 20 5 EEBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000078689635 463141831 /nfs/dbraw/zinc/14/18/31/463141831.db2.gz MHIJTAGQJCBYNN-CYBMUJFWSA-N 1 0 342.403 2.068 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000069044538 463202090 /nfs/dbraw/zinc/20/20/90/463202090.db2.gz PJPSEAKGOHVOGE-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000158236043 463219298 /nfs/dbraw/zinc/21/92/98/463219298.db2.gz QSZAIYCSJWKBBB-LLVKDONJSA-N 1 0 332.385 2.282 20 5 EEBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136821939 463260546 /nfs/dbraw/zinc/26/05/46/463260546.db2.gz DFUDRCJENWDWHG-OAHLLOKOSA-N 1 0 330.340 2.489 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000553056360 468347028 /nfs/dbraw/zinc/34/70/28/468347028.db2.gz CJZZNMDNBJVZGE-UHFFFAOYSA-N 1 0 349.431 2.480 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000080392735 463314081 /nfs/dbraw/zinc/31/40/81/463314081.db2.gz KTTZKPCDHQAVHT-UHFFFAOYSA-N 1 0 337.423 2.175 20 5 EEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000069739100 463314761 /nfs/dbraw/zinc/31/47/61/463314761.db2.gz KYTZZVQEEMVERR-HNNXBMFYSA-N 1 0 336.411 2.339 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c1C ZINC000123799740 463370743 /nfs/dbraw/zinc/37/07/43/463370743.db2.gz IQFGYMMVFOXSBS-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124844388 463471114 /nfs/dbraw/zinc/47/11/14/463471114.db2.gz YGTHATFDCSCHEI-NSHDSACASA-N 1 0 347.462 2.070 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125047199 463495378 /nfs/dbraw/zinc/49/53/78/463495378.db2.gz XBNJGHWRNNXORL-ZJUUUORDSA-N 1 0 347.824 2.105 20 5 EEBDRO CC(C)N(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125764027 463576621 /nfs/dbraw/zinc/57/66/21/463576621.db2.gz SBKPXXWMMATWML-GJZGRUSLSA-N 1 0 349.431 2.441 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108308116 463597069 /nfs/dbraw/zinc/59/70/69/463597069.db2.gz MZRJBTLENPMBRO-INIZCTEOSA-N 1 0 346.431 2.387 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000073257847 463598776 /nfs/dbraw/zinc/59/87/76/463598776.db2.gz LVXWMFHHUXPRLF-UHFFFAOYSA-N 1 0 349.435 2.182 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000152529447 463700513 /nfs/dbraw/zinc/70/05/13/463700513.db2.gz WVRVJQSOWQJYIX-GUTXKFCHSA-N 1 0 346.431 2.250 20 5 EEBDRO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000286828160 463718261 /nfs/dbraw/zinc/71/82/61/463718261.db2.gz OKOFNEFBJBEBDF-AWEZNQCLSA-N 1 0 346.431 2.429 20 5 EEBDRO COCCN1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000268901074 463799854 /nfs/dbraw/zinc/79/98/54/463799854.db2.gz LBBSADFCKPVGJZ-IAGOWNOFSA-N 1 0 333.432 2.226 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261677847 463825214 /nfs/dbraw/zinc/82/52/14/463825214.db2.gz MKQYJBLENJQSRI-AWEZNQCLSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178177213 463857338 /nfs/dbraw/zinc/85/73/38/463857338.db2.gz MTKZTRZQXWOIPZ-GFCCVEGCSA-N 1 0 334.420 2.417 20 5 EEBDRO COC(=O)CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000269116156 463879753 /nfs/dbraw/zinc/87/97/53/463879753.db2.gz ZXQBVLVYTYNNRG-UHFFFAOYSA-N 1 0 346.387 2.247 20 5 EEBDRO C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261998746 463921208 /nfs/dbraw/zinc/92/12/08/463921208.db2.gz OQICODXTIQVJFU-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000269288322 463942131 /nfs/dbraw/zinc/94/21/31/463942131.db2.gz SGVIREVGSMECOR-GDBMZVCRSA-N 1 0 330.388 2.274 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000195178938 464011660 /nfs/dbraw/zinc/01/16/60/464011660.db2.gz VFWMEHJGLOOQDB-CYBMUJFWSA-N 1 0 334.420 2.332 20 5 EEBDRO CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000269619497 464036494 /nfs/dbraw/zinc/03/64/94/464036494.db2.gz HSUKGLZBORGAOW-ZDUSSCGKSA-N 1 0 346.387 2.307 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CC[NH+](CC3CCOCC3)CC2)c(F)c1 ZINC000269646234 464045746 /nfs/dbraw/zinc/04/57/46/464045746.db2.gz PCRHTESMEUDNNU-UHFFFAOYSA-N 1 0 341.358 2.422 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262797822 464047190 /nfs/dbraw/zinc/04/71/90/464047190.db2.gz URBCUKZGOBXVMU-MELADBBJSA-N 1 0 348.447 2.402 20 5 EEBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590971892 468388044 /nfs/dbraw/zinc/38/80/44/468388044.db2.gz UJMRDFNZIHQWLV-ZDUSSCGKSA-N 1 0 329.356 2.471 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263316189 464083312 /nfs/dbraw/zinc/08/33/12/464083312.db2.gz ZMSSTCTZORASRC-KDOFPFPSSA-N 1 0 346.431 2.151 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000172838192 464151668 /nfs/dbraw/zinc/15/16/68/464151668.db2.gz KHBMBRIXLYLTLZ-LBPRGKRZSA-N 1 0 338.383 2.263 20 5 EEBDRO CC[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000591032507 468397225 /nfs/dbraw/zinc/39/72/25/468397225.db2.gz KRUPVADCRZSGKR-INIZCTEOSA-N 1 0 337.376 2.091 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292417384 464226779 /nfs/dbraw/zinc/22/67/79/464226779.db2.gz BNLBZJXZKWGLIW-OAHLLOKOSA-N 1 0 339.342 2.241 20 5 EEBDRO CC[NH2+]CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000236992083 464249360 /nfs/dbraw/zinc/24/93/60/464249360.db2.gz UFLOTPNBTZPTIE-KBPBESRZSA-N 1 0 348.447 2.416 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188464893 464287952 /nfs/dbraw/zinc/28/79/52/464287952.db2.gz ITAXKGBGIKFXDM-ZDUSSCGKSA-N 1 0 335.404 2.326 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000173714314 464309380 /nfs/dbraw/zinc/30/93/80/464309380.db2.gz ZSCSLUOPZSZSBB-AWEZNQCLSA-N 1 0 334.420 2.468 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000188922221 464396503 /nfs/dbraw/zinc/39/65/03/464396503.db2.gz ALJNXCGYUXCODU-UHFFFAOYSA-N 1 0 338.364 2.225 20 5 EEBDRO CC[N@H+](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000264934936 464504705 /nfs/dbraw/zinc/50/47/05/464504705.db2.gz UEWMEDGRXMMCNH-UHFFFAOYSA-N 1 0 337.423 2.223 20 5 EEBDRO C[N@@H+]1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000281580532 464510758 /nfs/dbraw/zinc/51/07/58/464510758.db2.gz FXITUTRCUQQPEE-UHFFFAOYSA-N 1 0 328.363 2.311 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1C ZINC000189498005 464519697 /nfs/dbraw/zinc/51/96/97/464519697.db2.gz SOFLHQDRKGKSLH-UKRRQHHQSA-N 1 0 347.415 2.468 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175501996 464562132 /nfs/dbraw/zinc/56/21/32/464562132.db2.gz XQHCPNWKFVLSCW-INIZCTEOSA-N 1 0 335.404 2.004 20 5 EEBDRO NC(=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182114091 464573740 /nfs/dbraw/zinc/57/37/40/464573740.db2.gz JACUPJIYVOTEFB-HOTGVXAUSA-N 1 0 335.404 2.042 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285496257 464584596 /nfs/dbraw/zinc/58/45/96/464584596.db2.gz XEKNZPKIOPAFLZ-RHSMWYFYSA-N 1 0 346.387 2.285 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272498683 464633437 /nfs/dbraw/zinc/63/34/37/464633437.db2.gz NRLAFAVUILHAJP-SJCJKPOMSA-N 1 0 342.399 2.171 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000265727300 464662324 /nfs/dbraw/zinc/66/23/24/464662324.db2.gz PCVRZACBXAIOLF-UHFFFAOYSA-N 1 0 347.375 2.127 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247409316 464677113 /nfs/dbraw/zinc/67/71/13/464677113.db2.gz PZPXTAXWRJZVAZ-HIFRSBDPSA-N 1 0 332.404 2.010 20 5 EEBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000591155767 468417203 /nfs/dbraw/zinc/41/72/03/468417203.db2.gz TYJUFRVXAVBZBA-STQMWFEESA-N 1 0 326.397 2.145 20 5 EEBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](CO)O1 ZINC000191528617 464819425 /nfs/dbraw/zinc/81/94/25/464819425.db2.gz ZUHMVRYXDIQEDJ-GXTWGEPZSA-N 1 0 332.356 2.436 20 5 EEBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000249596084 464897343 /nfs/dbraw/zinc/89/73/43/464897343.db2.gz WXACAORZSFWIKQ-SWLSCSKDSA-N 1 0 331.372 2.495 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000286498641 464940457 /nfs/dbraw/zinc/94/04/57/464940457.db2.gz YBEGRRSBXHFHKX-UHFFFAOYSA-N 1 0 329.404 2.440 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286606239 464975778 /nfs/dbraw/zinc/97/57/78/464975778.db2.gz RISSATXPSDPGEB-GSJWJAIFSA-N 1 0 333.344 2.358 20 5 EEBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986480 468429082 /nfs/dbraw/zinc/42/90/82/468429082.db2.gz UUBFPKJASTTWPF-UHFFFAOYSA-N 1 0 335.404 2.089 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000337357470 465326022 /nfs/dbraw/zinc/32/60/22/465326022.db2.gz CXQMHDBNJMNDBI-UHFFFAOYSA-N 1 0 349.435 2.180 20 5 EEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359034092 465371756 /nfs/dbraw/zinc/37/17/56/465371756.db2.gz XOOQREIHCLWJKR-PMPSAXMXSA-N 1 0 349.435 2.123 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339628071 465399654 /nfs/dbraw/zinc/39/96/54/465399654.db2.gz GPCRZHDMQQUYPA-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339762094 465494948 /nfs/dbraw/zinc/49/49/48/465494948.db2.gz IUBHFAWYAYBADF-SJORKVTESA-N 1 0 336.388 2.013 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000356870074 465589612 /nfs/dbraw/zinc/58/96/12/465589612.db2.gz CXIHTJGAAKBKPL-STQMWFEESA-N 1 0 330.388 2.101 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304180 468444212 /nfs/dbraw/zinc/44/42/12/468444212.db2.gz RFZYIGWKRQJYEA-SMDDNHRTSA-N 1 0 334.376 2.209 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371233169 465658115 /nfs/dbraw/zinc/65/81/15/465658115.db2.gz WUSKTIRUJCQBKC-HZSPNIEDSA-N 1 0 333.388 2.280 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000299253619 465666477 /nfs/dbraw/zinc/66/64/77/465666477.db2.gz PZRABIXBERAIIF-MNOVXSKESA-N 1 0 338.383 2.166 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000371360032 465741722 /nfs/dbraw/zinc/74/17/22/465741722.db2.gz BYQUHHSJPWBTSE-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO COC(=O)CCCN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361135913 465791331 /nfs/dbraw/zinc/79/13/31/465791331.db2.gz JVODMRABDOVDHN-UHFFFAOYSA-N 1 0 349.431 2.410 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000299605940 465822613 /nfs/dbraw/zinc/82/26/13/465822613.db2.gz RIOUCAUQWFCDNE-UHFFFAOYSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)c1 ZINC000361252298 465863723 /nfs/dbraw/zinc/86/37/23/465863723.db2.gz OPMUUHKGVBGSSY-MFKMUULPSA-N 1 0 332.360 2.242 20 5 EEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366724407 465898604 /nfs/dbraw/zinc/89/86/04/465898604.db2.gz OPDULNJCYBDDCC-ZDUSSCGKSA-N 1 0 347.419 2.099 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000331019411 465900607 /nfs/dbraw/zinc/90/06/07/465900607.db2.gz IYJPOVLKQQUJRM-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[N@H+](CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493875 465930887 /nfs/dbraw/zinc/93/08/87/465930887.db2.gz ABLQNHMGUQXMHX-QGZVFWFLSA-N 1 0 343.431 2.492 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711657 465961966 /nfs/dbraw/zinc/96/19/66/465961966.db2.gz MMXLXMKWPNBDGL-ULQDDVLXSA-N 1 0 338.404 2.456 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200031 465984804 /nfs/dbraw/zinc/98/48/04/465984804.db2.gz QSGGVHHDXSXLFB-JJRVBVJISA-N 1 0 347.415 2.162 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000349212402 466021556 /nfs/dbraw/zinc/02/15/56/466021556.db2.gz AIIIOFGVVKRWAT-ZDUSSCGKSA-N 1 0 341.433 2.229 20 5 EEBDRO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCC1 ZINC000361481644 466033862 /nfs/dbraw/zinc/03/38/62/466033862.db2.gz PFYXJGFAJTXXJR-UHFFFAOYSA-N 1 0 335.360 2.384 20 5 EEBDRO C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274165 466049818 /nfs/dbraw/zinc/04/98/18/466049818.db2.gz SBOPVTPHKSNZCG-PXAZEXFGSA-N 1 0 335.379 2.392 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000349284243 466050297 /nfs/dbraw/zinc/05/02/97/466050297.db2.gz OQCDJTFKJDZDTJ-LBPRGKRZSA-N 1 0 341.433 2.229 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000302038798 466084672 /nfs/dbraw/zinc/08/46/72/466084672.db2.gz GWTCMPLQNZQGOD-KRWDZBQOSA-N 1 0 342.399 2.477 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccs2)cc1[N+](=O)[O-] ZINC000353742223 466109875 /nfs/dbraw/zinc/10/98/75/466109875.db2.gz VMIZMBIZRVFRGV-UHFFFAOYSA-N 1 0 336.369 2.498 20 5 EEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(F)cc1 ZINC000304326683 466283766 /nfs/dbraw/zinc/28/37/66/466283766.db2.gz STDNDWKJGHPXNT-MLGOLLRUSA-N 1 0 336.367 2.374 20 5 EEBDRO CCOc1cc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000304733506 466313725 /nfs/dbraw/zinc/31/37/25/466313725.db2.gz VEBSRQJLWZKCKI-UHFFFAOYSA-N 1 0 337.420 2.277 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577832 468485643 /nfs/dbraw/zinc/48/56/43/468485643.db2.gz IPCJMPINUKIFPC-GDBMZVCRSA-N 1 0 329.404 2.149 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000305202073 466377047 /nfs/dbraw/zinc/37/70/47/466377047.db2.gz BBKYQSUELJWHLK-UONOGXRCSA-N 1 0 335.404 2.467 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000347186457 466461548 /nfs/dbraw/zinc/46/15/48/466461548.db2.gz BWASXHXHXSDRFW-TZMCWYRMSA-N 1 0 349.387 2.115 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347317163 466558578 /nfs/dbraw/zinc/55/85/78/466558578.db2.gz IQODZHUXXSFYEA-CZUORRHYSA-N 1 0 345.359 2.274 20 5 EEBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421857458 466663080 /nfs/dbraw/zinc/66/30/80/466663080.db2.gz OPMKEQRLYVYSMS-KBUPBQIOSA-N 1 0 349.435 2.156 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192770 466740454 /nfs/dbraw/zinc/74/04/54/466740454.db2.gz XWVPVEGWIUHOEN-IUODEOHRSA-N 1 0 339.779 2.344 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423715024 466811181 /nfs/dbraw/zinc/81/11/81/466811181.db2.gz GXWMBEQUPSMIOW-QWHCGFSZSA-N 1 0 333.388 2.065 20 5 EEBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719001 466812821 /nfs/dbraw/zinc/81/28/21/466812821.db2.gz DTBDOZXGDYFKQE-HNNXBMFYSA-N 1 0 329.400 2.476 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708230 466914533 /nfs/dbraw/zinc/91/45/33/466914533.db2.gz BTYKOVAETXCZAM-HUUCEWRRSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417711293 466915682 /nfs/dbraw/zinc/91/56/82/466915682.db2.gz DFNROBNGVYLLEP-QGZVFWFLSA-N 1 0 349.435 2.086 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000423970748 466932513 /nfs/dbraw/zinc/93/25/13/466932513.db2.gz XQJRXXMHFRWYBM-INIZCTEOSA-N 1 0 343.387 2.028 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417931265 466990283 /nfs/dbraw/zinc/99/02/83/466990283.db2.gz BWYJKTJPNSUITC-CVEARBPZSA-N 1 0 346.431 2.168 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000412087720 467003181 /nfs/dbraw/zinc/00/31/81/467003181.db2.gz HLKHOSCYCIHBHP-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412283119 467057984 /nfs/dbraw/zinc/05/79/84/467057984.db2.gz HVTMXQYTRDYWDQ-GVDBMIGSSA-N 1 0 331.416 2.497 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377642061 467104108 /nfs/dbraw/zinc/10/41/08/467104108.db2.gz APXYNXBVGIJAGZ-KRWDZBQOSA-N 1 0 338.404 2.323 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425658872 467120076 /nfs/dbraw/zinc/12/00/76/467120076.db2.gz HOXDMHAHQAEESA-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO CC1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]CC1 ZINC000418518498 467122962 /nfs/dbraw/zinc/12/29/62/467122962.db2.gz MSRNSMXNAWJAKQ-UHFFFAOYSA-N 1 0 332.404 2.052 20 5 EEBDRO C[N@H+](CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000413347314 467222011 /nfs/dbraw/zinc/22/20/11/467222011.db2.gz KWFGRYNSQJIKPC-UHFFFAOYSA-N 1 0 347.462 2.346 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433209060 467307702 /nfs/dbraw/zinc/30/77/02/467307702.db2.gz PDYFXYHNKGOHHT-CQSZACIVSA-N 1 0 326.418 2.293 20 5 EEBDRO Cc1c(Br)c(NC[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420290591 467339787 /nfs/dbraw/zinc/33/97/87/467339787.db2.gz UQFAREZWNHMCDA-ZJUUUORDSA-N 1 0 343.225 2.990 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379496234 467368348 /nfs/dbraw/zinc/36/83/48/467368348.db2.gz QXUDDDMNHIPKPQ-BDAKNGLRSA-N 1 0 342.193 2.180 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420368436 467381016 /nfs/dbraw/zinc/38/10/16/467381016.db2.gz AQTLLYRSYKFCNN-BBRMVZONSA-N 1 0 344.419 2.352 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420376377 467384294 /nfs/dbraw/zinc/38/42/94/467384294.db2.gz QSFVWCXXDYEUMS-HKUYNNGSSA-N 1 0 343.427 2.000 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408123 467398181 /nfs/dbraw/zinc/39/81/81/467398181.db2.gz OYRIITHTPDYWSY-KWCYVHTRSA-N 1 0 334.420 2.147 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000420415738 467401415 /nfs/dbraw/zinc/40/14/15/467401415.db2.gz VDXJGUJPNRZMJR-AAEUAGOBSA-N 1 0 331.376 2.062 20 5 EEBDRO CC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]CC1 ZINC000414943380 467454638 /nfs/dbraw/zinc/45/46/38/467454638.db2.gz FLSCXDXBRCGERI-UHFFFAOYSA-N 1 0 344.318 2.460 20 5 EEBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000435384440 467465377 /nfs/dbraw/zinc/46/53/77/467465377.db2.gz MKUANSAPYOEZLJ-CHWSQXEVSA-N 1 0 329.404 2.178 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000442596312 467576097 /nfs/dbraw/zinc/57/60/97/467576097.db2.gz IPMDJTGGBGQLBX-LLVKDONJSA-N 1 0 344.371 2.050 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449714161 467698316 /nfs/dbraw/zinc/69/83/16/467698316.db2.gz ZUBXUPHWPFXGAG-JSGCOSHPSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C1OCCN1C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000496861011 467724778 /nfs/dbraw/zinc/72/47/78/467724778.db2.gz ZEOGYWBYGHBUKD-LLVKDONJSA-N 1 0 346.343 2.010 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457954394 467739194 /nfs/dbraw/zinc/73/91/94/467739194.db2.gz NVLVAAHINGOIRI-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000457140314 467764832 /nfs/dbraw/zinc/76/48/32/467764832.db2.gz YLARIPAGUALJSH-CQSZACIVSA-N 1 0 335.404 2.305 20 5 EEBDRO CC(C)OC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000530687536 468002386 /nfs/dbraw/zinc/00/23/86/468002386.db2.gz VOLQMPBGXUCWSY-OAHLLOKOSA-N 1 0 338.404 2.224 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648881 468092246 /nfs/dbraw/zinc/09/22/46/468092246.db2.gz MFSFWVRIWXMTOP-HIFRSBDPSA-N 1 0 342.399 2.499 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590404361 468247136 /nfs/dbraw/zinc/24/71/36/468247136.db2.gz ZRHDDRKVFRIYFJ-MEBBXXQBSA-N 1 0 344.371 2.013 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000591849737 468529842 /nfs/dbraw/zinc/52/98/42/468529842.db2.gz SCYQJMXFWAZOEK-GDNZZTSVSA-N 1 0 327.178 2.027 20 5 EEBDRO COC(=O)c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599332 468631794 /nfs/dbraw/zinc/63/17/94/468631794.db2.gz JELZCMQHSRAJCT-STQMWFEESA-N 1 0 334.376 2.205 20 5 EEBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000592333671 468679206 /nfs/dbraw/zinc/67/92/06/468679206.db2.gz NOEKAOGWFKKUHQ-NWDGAFQWSA-N 1 0 343.387 2.240 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000592428599 468695822 /nfs/dbraw/zinc/69/58/22/468695822.db2.gz DHUMHNLEZLVPKZ-YVEFUNNKSA-N 1 0 331.372 2.403 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594957132 468731342 /nfs/dbraw/zinc/73/13/42/468731342.db2.gz NXKGBEBHGYKFAN-CYBMUJFWSA-N 1 0 335.404 2.328 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626259 468731400 /nfs/dbraw/zinc/73/14/00/468731400.db2.gz KGVJVZAPZFFDNY-WMZOPIPTSA-N 1 0 346.383 2.312 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000601177217 468771353 /nfs/dbraw/zinc/77/13/53/468771353.db2.gz QWHQSWXMJNQTOD-MRXNPFEDSA-N 1 0 332.404 2.010 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000595490301 468874098 /nfs/dbraw/zinc/87/40/98/468874098.db2.gz PGTBQVALGKGPGC-BPUTZDHNSA-N 1 0 335.379 2.471 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[NH+]1CCCCC1 ZINC000593112603 468875524 /nfs/dbraw/zinc/87/55/24/468875524.db2.gz QRQFKZSZWPOPRC-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598540404 468906545 /nfs/dbraw/zinc/90/65/45/468906545.db2.gz IWQFPNAMXDXOIU-UHFFFAOYSA-N 1 0 349.435 2.122 20 5 EEBDRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562301308 468933677 /nfs/dbraw/zinc/93/36/77/468933677.db2.gz LINDRQLKJLIFEK-KBPBESRZSA-N 1 0 349.431 2.002 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647019 468944098 /nfs/dbraw/zinc/94/40/98/468944098.db2.gz BOTGSENXRVVLIG-TZMCWYRMSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@H](COCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602712402 469027608 /nfs/dbraw/zinc/02/76/08/469027608.db2.gz NWDXXTXYKLLZQM-CYBMUJFWSA-N 1 0 334.420 2.363 20 5 EEBDRO COC(=O)c1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602786939 469074649 /nfs/dbraw/zinc/07/46/49/469074649.db2.gz XRWHQJJMZWRGLR-UHFFFAOYSA-N 1 0 332.360 2.018 20 5 EEBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000587210555 469086757 /nfs/dbraw/zinc/08/67/57/469086757.db2.gz PNDWMJOJRHQXRZ-NEPJUHHUSA-N 1 0 345.403 2.776 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595935168 469090531 /nfs/dbraw/zinc/09/05/31/469090531.db2.gz AOYBHGPMFLWBLU-CYBMUJFWSA-N 1 0 349.435 2.122 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000602841786 469110683 /nfs/dbraw/zinc/11/06/83/469110683.db2.gz SEOGTOGFTUYOBX-BONVTDFDSA-N 1 0 336.417 2.453 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(c3ccccc3)C2)c1 ZINC000601966328 469117294 /nfs/dbraw/zinc/11/72/94/469117294.db2.gz ZTKIYWNCRZBRMB-KRWDZBQOSA-N 1 0 328.368 2.434 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088160 469158753 /nfs/dbraw/zinc/15/87/53/469158753.db2.gz HKFHCCFOXPPNJM-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO C[N@H+](CCc1ccccc1)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602071688 469174516 /nfs/dbraw/zinc/17/45/16/469174516.db2.gz DFFLQPCPUNFMGL-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602949753 469186187 /nfs/dbraw/zinc/18/61/87/469186187.db2.gz BKPDKDBHXUQVOR-UHFFFAOYSA-N 1 0 337.424 2.306 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]([NH+]3CCCC3)C1)OCCO2 ZINC000611266946 469214181 /nfs/dbraw/zinc/21/41/81/469214181.db2.gz UKCLDNYKJUIIGQ-CQSZACIVSA-N 1 0 333.388 2.036 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000599423599 469250641 /nfs/dbraw/zinc/25/06/41/469250641.db2.gz RNNIJMGCZGASSW-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO CCOc1cc(CN2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599471805 469268311 /nfs/dbraw/zinc/26/83/11/469268311.db2.gz CHINHATZXHDYFE-UHFFFAOYSA-N 1 0 349.431 2.290 20 5 EEBDRO NC(=O)c1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571754 469304086 /nfs/dbraw/zinc/30/40/86/469304086.db2.gz ZPXFMQAYALNFJI-ZDUSSCGKSA-N 1 0 332.404 2.228 20 5 EEBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602545632 469355508 /nfs/dbraw/zinc/35/55/08/469355508.db2.gz HLOVOFVSPPPUGG-ZDUSSCGKSA-N 1 0 336.310 2.491 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602604919 469381156 /nfs/dbraw/zinc/38/11/56/469381156.db2.gz RCXFWPRAOJBNKV-KYZUINATSA-N 1 0 342.193 2.357 20 5 EEBDRO COc1ccc(CC(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000612347149 469443659 /nfs/dbraw/zinc/44/36/59/469443659.db2.gz UOSGDCDIRBBPLF-UHFFFAOYSA-N 1 0 330.344 2.246 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3ccsc3[N+](=O)[O-])cn2)CC1 ZINC000604433344 469478375 /nfs/dbraw/zinc/47/83/75/469478375.db2.gz GKRONZOGLZBDAN-UHFFFAOYSA-N 1 0 333.417 2.415 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000608836702 469882934 /nfs/dbraw/zinc/88/29/34/469882934.db2.gz GFSVZGFOVHIJIF-DQOPKJQZSA-N 1 0 342.399 2.464 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386058 469924455 /nfs/dbraw/zinc/92/44/55/469924455.db2.gz JWMUUEPPURICOI-ZFWWWQNUSA-N 1 0 334.420 2.384 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386392 469924506 /nfs/dbraw/zinc/92/45/06/469924506.db2.gz RKLWNZRFHMUKDZ-HNNXBMFYSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000610238864 469990832 /nfs/dbraw/zinc/99/08/32/469990832.db2.gz YYZLBVCRICILKN-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139611 534002981 /nfs/dbraw/zinc/00/29/81/534002981.db2.gz MHSRILMXVOGGOZ-BJKJVOPESA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1ccnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000132843120 534401878 /nfs/dbraw/zinc/40/18/78/534401878.db2.gz XSTSMXSIVXEFNY-GJZGRUSLSA-N 1 0 334.420 2.478 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181493551 534485431 /nfs/dbraw/zinc/48/54/31/534485431.db2.gz AEROUNHRZQSVFV-OAHLLOKOSA-N 1 0 335.404 2.115 20 5 EEBDRO CC(C)(CCS(C)(=O)=O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000174639383 527061317 /nfs/dbraw/zinc/06/13/17/527061317.db2.gz DKGYJKMIBJCFSL-SOFGYWHQSA-N 1 0 326.418 2.411 20 5 EEBDRO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000131055756 527783993 /nfs/dbraw/zinc/78/39/93/527783993.db2.gz QMHRLLKWHDHCMH-MRXNPFEDSA-N 1 0 349.431 2.476 20 5 EEBDRO CC1([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183875658 528053356 /nfs/dbraw/zinc/05/33/56/528053356.db2.gz UXSOOTXRNNEGOZ-CQSZACIVSA-N 1 0 336.388 2.449 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173989112 528259304 /nfs/dbraw/zinc/25/93/04/528259304.db2.gz DLZCXVPWLYKKOQ-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181932165 529295737 /nfs/dbraw/zinc/29/57/37/529295737.db2.gz FGANQTISTCPMGQ-STQMWFEESA-N 1 0 326.418 2.162 20 5 EEBDRO CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449069377 535020753 /nfs/dbraw/zinc/02/07/53/535020753.db2.gz GCKSOXIMPOSELC-QAPCUYQASA-N 1 0 335.448 2.472 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356822098 535361594 /nfs/dbraw/zinc/36/15/94/535361594.db2.gz LLSSQMVDSSPHCF-STQMWFEESA-N 1 0 349.435 2.169 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447806713 536433937 /nfs/dbraw/zinc/43/39/37/536433937.db2.gz OHEKFQLAMXBHSZ-OAHLLOKOSA-N 1 0 334.420 2.487 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731677891 577116034 /nfs/dbraw/zinc/11/60/34/577116034.db2.gz BJWZBHIMQJCXOR-HNNXBMFYSA-N 1 0 347.327 2.335 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000733171528 577206497 /nfs/dbraw/zinc/20/64/97/577206497.db2.gz PTJWUABQYKWCEC-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000776275739 577456431 /nfs/dbraw/zinc/45/64/31/577456431.db2.gz KWMMUIQPLIBEIE-HZPDHXFCSA-N 1 0 344.367 2.400 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764964614 577491964 /nfs/dbraw/zinc/49/19/64/577491964.db2.gz UOLAPNUBSRSWPL-OAHLLOKOSA-N 1 0 329.404 2.381 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039946 577493355 /nfs/dbraw/zinc/49/33/55/577493355.db2.gz UIPBLPFAGFLVHJ-AWEZNQCLSA-N 1 0 331.420 2.484 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000765931983 577509297 /nfs/dbraw/zinc/50/92/97/577509297.db2.gz XCYAZFKZJUUTAK-VXGBXAGGSA-N 1 0 339.367 2.054 20 5 EEBDRO CN1CC[NH+](CCC(C)(C)Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000770229301 577592721 /nfs/dbraw/zinc/59/27/21/577592721.db2.gz UYFQNFBDBFLKOS-UHFFFAOYSA-N 1 0 346.435 2.071 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+](C)[C@H](C)C1 ZINC000761067576 577675455 /nfs/dbraw/zinc/67/54/55/577675455.db2.gz FXQKTHMNQXKHNC-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1CCCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000755273835 577822845 /nfs/dbraw/zinc/82/28/45/577822845.db2.gz IKXZNZAVMHZHBD-GFCCVEGCSA-N 1 0 332.360 2.491 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000742413081 577872647 /nfs/dbraw/zinc/87/26/47/577872647.db2.gz ZLRWQFNVHBKSCQ-CABZTGNLSA-N 1 0 338.364 2.198 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000743587461 577887619 /nfs/dbraw/zinc/88/76/19/577887619.db2.gz OYHFDCBJZPOIDL-GFCCVEGCSA-N 1 0 338.364 2.127 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000749662766 577979526 /nfs/dbraw/zinc/97/95/26/577979526.db2.gz CPPJNMAEWRUIQI-GUYCJALGSA-N 1 0 328.368 2.469 20 5 EEBDRO C[NH+](C)CCCNC(=S)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739436883 578053481 /nfs/dbraw/zinc/05/34/81/578053481.db2.gz HGSFJJLOCRNXFP-UHFFFAOYSA-N 1 0 338.477 2.333 20 5 EEBDRO Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC001021885076 676534789 /nfs/dbraw/zinc/53/47/89/676534789.db2.gz XNBIQFSSIHTSMJ-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO C[C@@H]1C[C@@H]1CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044626 677768291 /nfs/dbraw/zinc/76/82/91/677768291.db2.gz UUTUNJHXAVPOCI-CHWSQXEVSA-N 1 0 347.419 2.124 20 5 EEBDRO C[C@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892674236 682295913 /nfs/dbraw/zinc/29/59/13/682295913.db2.gz UVYXMZBLMKFMFG-NWDGAFQWSA-N 1 0 330.388 2.341 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000984945060 685567832 /nfs/dbraw/zinc/56/78/32/685567832.db2.gz WYFUEYAUISPOLZ-SHTZXODSSA-N 1 0 343.383 2.415 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC000984952181 685571454 /nfs/dbraw/zinc/57/14/54/685571454.db2.gz ZTEUWTKTZSYJHM-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO CCNc1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892801386 683079797 /nfs/dbraw/zinc/07/97/97/683079797.db2.gz RPDWKORVUCMCKX-KRWDZBQOSA-N 1 0 332.404 2.241 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]c1 ZINC000983736065 683216700 /nfs/dbraw/zinc/21/67/00/683216700.db2.gz GOKAJPRPPGXBNT-CTYIDZIISA-N 1 0 328.372 2.221 20 5 EEBDRO Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025671087 683230823 /nfs/dbraw/zinc/23/08/23/683230823.db2.gz QXWHCUMMQJEDIW-FVQHAEBGSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895245225 684369352 /nfs/dbraw/zinc/36/93/52/684369352.db2.gz DLUPLHHXCJQCLT-SKDRFNHKSA-N 1 0 347.341 2.055 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896209880 684903585 /nfs/dbraw/zinc/90/35/85/684903585.db2.gz FIBBHRJENPBFPP-CQSZACIVSA-N 1 0 335.404 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cn1 ZINC000896408898 684972602 /nfs/dbraw/zinc/97/26/02/684972602.db2.gz FGMPCOIHLCLRSH-WBVHZDCISA-N 1 0 332.404 2.116 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000897238238 686304919 /nfs/dbraw/zinc/30/49/19/686304919.db2.gz WJDFSVDFKOVWAW-ZIAGYGMSSA-N 1 0 337.445 2.329 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccco3)CC2)cc1 ZINC000125264739 686940773 /nfs/dbraw/zinc/94/07/73/686940773.db2.gz RFJMLCVRAFSTPT-MRXNPFEDSA-N 1 0 331.372 2.480 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cnco2)CC1 ZINC000985560013 687139667 /nfs/dbraw/zinc/13/96/67/687139667.db2.gz XQRFMFQAJPIVPT-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+](C2CCC2)C1 ZINC000813630287 1199110301 /nfs/dbraw/zinc/11/03/01/1199110301.db2.gz JYLKOZFZNJQHTD-LLVKDONJSA-N 1 0 331.376 2.442 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825810416 1199367614 /nfs/dbraw/zinc/36/76/14/1199367614.db2.gz MVPDOKYPUWGNFS-INIZCTEOSA-N 1 0 335.404 2.009 20 5 EEBDRO CC(C)(CCC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)[N+](=O)[O-] ZINC000869814399 1200296990 /nfs/dbraw/zinc/29/69/90/1200296990.db2.gz ZAKQFJZKLNTBKM-UHFFFAOYSA-N 1 0 331.416 2.166 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000878439186 1200470073 /nfs/dbraw/zinc/47/00/73/1200470073.db2.gz UMZWFMNMVKPNMU-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000870958446 1200976815 /nfs/dbraw/zinc/97/68/15/1200976815.db2.gz CYDITMFJLVLLLI-GWCFXTLKSA-N 1 0 346.214 2.469 20 5 EEBDRO [NH3+][C@H]1C[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000870968900 1200981999 /nfs/dbraw/zinc/98/19/99/1200981999.db2.gz XOGBSQTYDJHLAD-OKILXGFUSA-N 1 0 335.407 2.008 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000870977131 1200985821 /nfs/dbraw/zinc/98/58/21/1200985821.db2.gz FMKYTMZPOLJRRF-SHHSBJBSSA-N 1 0 344.415 2.430 20 5 EEBDRO CCSCC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945135 1201711641 /nfs/dbraw/zinc/71/16/41/1201711641.db2.gz RKCBALDNRZUDPT-NHYWBVRUSA-N 1 0 325.434 2.417 20 5 EEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000890065338 1204774859 /nfs/dbraw/zinc/77/48/59/1204774859.db2.gz FYEHETZAHOVRSO-HNNXBMFYSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000010138974 1205710917 /nfs/dbraw/zinc/71/09/17/1205710917.db2.gz MBCLZXFWODQYMO-INIZCTEOSA-N 1 0 346.362 2.349 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932433495 1207604137 /nfs/dbraw/zinc/60/41/37/1207604137.db2.gz AZVHMMYDBUCLDS-AWEZNQCLSA-N 1 0 335.404 2.483 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3F)C2)nc1 ZINC000245434247 1212378199 /nfs/dbraw/zinc/37/81/99/1212378199.db2.gz CDMFXJAMCGJMSM-MLGOLLRUSA-N 1 0 346.362 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC001020021840 1229446094 /nfs/dbraw/zinc/44/60/94/1229446094.db2.gz GXSGPCIXVKXQMO-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)ns1 ZINC001020106662 1229486689 /nfs/dbraw/zinc/48/66/89/1229486689.db2.gz SFOVIDMLSHBRRS-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001095956152 1232561974 /nfs/dbraw/zinc/56/19/74/1232561974.db2.gz UIDZCWTVZXXHKO-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@H]2C2OCCO2)c1 ZINC000902624433 1238069983 /nfs/dbraw/zinc/06/99/83/1238069983.db2.gz JWPPBMVUUPIMOY-INIZCTEOSA-N 1 0 344.371 2.253 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000903371227 1240331533 /nfs/dbraw/zinc/33/15/33/1240331533.db2.gz QGAYMPUSPUYSPE-OAHLLOKOSA-N 1 0 348.399 2.220 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325973 1243352284 /nfs/dbraw/zinc/35/22/84/1243352284.db2.gz PLXVZQYEBBOHNG-BASLNEPJSA-N 1 0 349.406 2.256 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c([N+](=O)[O-])c1 ZINC001097075571 1243661830 /nfs/dbraw/zinc/66/18/30/1243661830.db2.gz OGBMAMSXRCUKPD-HDJSIYSDSA-N 1 0 346.431 2.447 20 5 EEBDRO Cc1ccnc(NCCN(C)C(=O)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001101647316 1246077368 /nfs/dbraw/zinc/07/73/68/1246077368.db2.gz VUQBNWHIDPNYLW-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO CC(C)OCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199604418 1285732170 /nfs/dbraw/zinc/73/21/70/1285732170.db2.gz TWLIGMHQDUKNHH-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO CC(C)=C(C)CC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001202020874 1289858391 /nfs/dbraw/zinc/85/83/91/1289858391.db2.gz XGUAAKCEEBZUNY-UHFFFAOYSA-N 1 0 349.435 2.155 20 5 EEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308090 1292085514 /nfs/dbraw/zinc/08/55/14/1292085514.db2.gz UOFDUFJZRLKWEI-UHFFFAOYSA-N 1 0 341.412 2.026 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[C@H](C)[NH+](C)C ZINC000853798775 1292458976 /nfs/dbraw/zinc/45/89/76/1292458976.db2.gz KUSUBTZWNNPDAM-VIFPVBQESA-N 1 0 340.336 2.042 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000856073622 1293398121 /nfs/dbraw/zinc/39/81/21/1293398121.db2.gz UJNHQZKTZQWZPO-LLVKDONJSA-N 1 0 338.383 2.014 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC000856490067 1293546087 /nfs/dbraw/zinc/54/60/87/1293546087.db2.gz VEQJHQGNZJUNRU-SNVBAGLBSA-N 1 0 327.331 2.251 20 5 EEBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(F)F ZINC000858596790 1294162652 /nfs/dbraw/zinc/16/26/52/1294162652.db2.gz IXCBNIJDVWNSAY-UHFFFAOYSA-N 1 0 342.390 2.350 20 5 EEBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](C)CC1 ZINC000861895255 1295584878 /nfs/dbraw/zinc/58/48/78/1295584878.db2.gz VWFBIPSTMKAOJC-UHFFFAOYSA-N 1 0 339.367 2.055 20 5 EEBDRO Cc1c(Br)cnc(O[C@@H]2C[NH2+]CC[C@H]2C)c1[N+](=O)[O-] ZINC001218044913 1297556038 /nfs/dbraw/zinc/55/60/38/1297556038.db2.gz WAUHVFWRBXDHSC-GMSGAONNSA-N 1 0 330.182 2.438 20 5 EEBDRO O=[N+]([O-])c1cccc(I)c1O[C@@H]1CCC[NH2+]C1 ZINC001218283759 1297621493 /nfs/dbraw/zinc/62/14/93/1297621493.db2.gz MTPPAQJPWQNERF-MRVPVSSYSA-N 1 0 348.140 2.330 20 5 EEBDRO COc1cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)ncc1[N+](=O)[O-] ZINC001226576450 1301467102 /nfs/dbraw/zinc/46/71/02/1301467102.db2.gz QIZMNTBZMYNCEO-LBPRGKRZSA-N 1 0 337.376 2.021 20 5 EEBDRO Cc1nc(Cl)nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001227337863 1301786744 /nfs/dbraw/zinc/78/67/44/1301786744.db2.gz NQRBLSRDCPTEPS-PEGIJTEDSA-N 1 0 326.784 2.456 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229150727 1302643107 /nfs/dbraw/zinc/64/31/07/1302643107.db2.gz AHONYOVWXDOVNM-VIFPVBQESA-N 1 0 348.140 2.282 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC001230368338 1303180636 /nfs/dbraw/zinc/18/06/36/1303180636.db2.gz LLISQDQFQIUJIJ-LLVKDONJSA-N 1 0 340.811 2.484 20 5 EEBDRO Cc1noc(C2(C)CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000781350437 1303781336 /nfs/dbraw/zinc/78/13/36/1303781336.db2.gz NBEPAMKPRIFJBF-OAHLLOKOSA-N 1 0 346.387 2.373 20 5 EEBDRO CC[N@H+](CCc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784172278 1304430010 /nfs/dbraw/zinc/43/00/10/1304430010.db2.gz AHJPMBUNAGPZLX-MRXNPFEDSA-N 1 0 345.399 2.294 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)on1 ZINC001233864287 1304619297 /nfs/dbraw/zinc/61/92/97/1304619297.db2.gz UPJMJFDVWRWHAS-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001120590018 1309629065 /nfs/dbraw/zinc/62/90/65/1309629065.db2.gz JXNVDXPLAFJNMZ-DLBZAZTESA-N 1 0 334.347 2.265 20 5 EEBDRO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001120874082 1309805819 /nfs/dbraw/zinc/80/58/19/1309805819.db2.gz IQVZBIJUPMTYOQ-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO COc1ccc(C[C@@H](C)N2CCC(F)(F)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558106 1310340569 /nfs/dbraw/zinc/34/05/69/1310340569.db2.gz ONTZVPKFAXOLCV-DGCLKSJQSA-N 1 0 343.374 2.450 20 5 EEBDRO [NH3+][C@H](Cc1ccsc1)Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247162971 1310540907 /nfs/dbraw/zinc/54/09/07/1310540907.db2.gz ZXOOFICKFOQHEC-SNVBAGLBSA-N 1 0 349.347 2.353 20 5 EEBDRO O[C@@H]1CC[NH2+]C[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247756155 1310713140 /nfs/dbraw/zinc/71/31/40/1310713140.db2.gz INFNLCURURLZCV-DZGCQCFKSA-N 1 0 347.378 2.271 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@]3(CO2)CCC[NH2+]C3)n1 ZINC001247931746 1310788594 /nfs/dbraw/zinc/78/85/94/1310788594.db2.gz MUJVDMFTXJVSPR-XHDPSFHLSA-N 1 0 349.322 2.010 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCC1 ZINC000831550578 1314598282 /nfs/dbraw/zinc/59/82/82/1314598282.db2.gz XYQFBQJCEOGCGK-UHFFFAOYSA-N 1 0 332.404 2.196 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841858810 1315625430 /nfs/dbraw/zinc/62/54/30/1315625430.db2.gz VEUZTQYBNJNRAI-IINYFYTJSA-N 1 0 338.795 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000843064763 1315833490 /nfs/dbraw/zinc/83/34/90/1315833490.db2.gz BSALSXAZTCOYKH-YJBOKZPZSA-N 1 0 330.384 2.069 20 5 EEBDRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843075843 1315836032 /nfs/dbraw/zinc/83/60/32/1315836032.db2.gz AVNOGVBGILNQIA-SJLPKXTDSA-N 1 0 330.384 2.130 20 5 EEBDRO Cc1nc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1[C@H](C)O ZINC000843105446 1315843726 /nfs/dbraw/zinc/84/37/26/1315843726.db2.gz FONGPXAAPYJNAZ-SJCJKPOMSA-N 1 0 331.372 2.175 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843124807 1315848585 /nfs/dbraw/zinc/84/85/85/1315848585.db2.gz HIDWDQOJVIVCRQ-CYBMUJFWSA-N 1 0 339.823 2.436 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000843472207 1315920268 /nfs/dbraw/zinc/92/02/68/1315920268.db2.gz XDPDWCOFCRMTCM-WPRPVWTQSA-N 1 0 329.759 2.187 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508531 1315926174 /nfs/dbraw/zinc/92/61/74/1315926174.db2.gz WAZCZSVAZVWRFR-LBPRGKRZSA-N 1 0 332.404 2.065 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001152978903 1316752967 /nfs/dbraw/zinc/75/29/67/1316752967.db2.gz ZLTDYSDGECMSHU-WNDYTACBSA-N 1 0 329.400 2.093 20 5 EEBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001156396521 1317994143 /nfs/dbraw/zinc/99/41/43/1317994143.db2.gz XEUQEDUSGNWGIC-FZKQIMNGSA-N 1 0 339.399 2.440 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC001254474087 1318083006 /nfs/dbraw/zinc/08/30/06/1318083006.db2.gz LNJZWPXUKZZGQM-GOSISDBHSA-N 1 0 347.415 2.055 20 5 EEBDRO CCOC(=O)[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480115 1318084933 /nfs/dbraw/zinc/08/49/33/1318084933.db2.gz VKCRQSLYCWPNNL-AWEZNQCLSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001254544820 1318116630 /nfs/dbraw/zinc/11/66/30/1318116630.db2.gz LCFMIIYLRLIRIP-DZGCQCFKSA-N 1 0 327.388 2.184 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)Cc1cccc(F)c1)C2 ZINC001254578252 1318128633 /nfs/dbraw/zinc/12/86/33/1318128633.db2.gz CEKIILBYQIJXCN-SJORKVTESA-N 1 0 330.359 2.394 20 5 EEBDRO O=C1OCCCN1C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610272 1318144833 /nfs/dbraw/zinc/14/48/33/1318144833.db2.gz JBFWIPMEIJLQCJ-KRWDZBQOSA-N 1 0 345.399 2.369 20 5 EEBDRO N=C(Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21)SCC[NH3+] ZINC001157128386 1318423710 /nfs/dbraw/zinc/42/37/10/1318423710.db2.gz LAUHEDMQKSYJKJ-UHFFFAOYSA-N 1 0 326.769 2.230 20 5 EEBDRO CCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157419360 1318624852 /nfs/dbraw/zinc/62/48/52/1318624852.db2.gz DWGIGRAGMUVPND-UHFFFAOYSA-N 1 0 336.417 2.457 20 5 EEBDRO CCOC1C[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C1 ZINC001256092966 1318644799 /nfs/dbraw/zinc/64/47/99/1318644799.db2.gz COHKFGUHAZDKAC-UHFFFAOYSA-N 1 0 335.404 2.293 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@]23CCC[NH2+]C3)n1 ZINC001157467217 1318660482 /nfs/dbraw/zinc/66/04/82/1318660482.db2.gz FKCWEAPVVBMJRF-AWEZNQCLSA-N 1 0 325.800 2.459 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC001157690760 1318799218 /nfs/dbraw/zinc/79/92/18/1318799218.db2.gz MVWVNNGKOTYLTA-STQMWFEESA-N 1 0 327.388 2.316 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(cccc3[N+](=O)[O-])n2)O1 ZINC001159239695 1319700128 /nfs/dbraw/zinc/70/01/28/1319700128.db2.gz GWSYVUMOUCTSES-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO O=C(NCCC1=CC[N@H+](CCc2cccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107890 1320071890 /nfs/dbraw/zinc/07/18/90/1320071890.db2.gz XAESWHGQLUKRMU-HZPDHXFCSA-N 1 0 349.456 2.094 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2nccc(Cl)c2[N+](=O)[O-])C2COC2)CC1 ZINC001161274433 1320442087 /nfs/dbraw/zinc/44/20/87/1320442087.db2.gz CCTAVHLZSJOVAJ-MGCOHNPYSA-N 1 0 326.784 2.118 20 5 EEBDRO Cc1cc(Cl)c(NCc2nnn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001162977560 1321003262 /nfs/dbraw/zinc/00/32/62/1321003262.db2.gz DFRCUNWNKHQHKA-UHFFFAOYSA-N 1 0 336.783 2.254 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)cc(C(F)(F)F)c1 ZINC001163074451 1321029041 /nfs/dbraw/zinc/02/90/41/1321029041.db2.gz WTJUQBLOXBLRCE-GFCCVEGCSA-N 1 0 331.294 2.404 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCC[C@@H]3CCOC34C[NH2+]C4)ccnc21 ZINC001163096091 1321034186 /nfs/dbraw/zinc/03/41/86/1321034186.db2.gz ZVJXHGLZYWSVQL-GFCCVEGCSA-N 1 0 328.372 2.324 20 5 EEBDRO Cc1ccc2c(ccnc2NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163164434 1321056014 /nfs/dbraw/zinc/05/60/14/1321056014.db2.gz UMDHGOUMGPWLOQ-XJKCOSOUSA-N 1 0 342.399 2.488 20 5 EEBDRO CCOCC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163251149 1321077226 /nfs/dbraw/zinc/07/72/26/1321077226.db2.gz OYTHJRNVIIWFMU-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO COc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001163282583 1321086989 /nfs/dbraw/zinc/08/69/89/1321086989.db2.gz AIIHCOJFAQJCLP-CXAGYDPISA-N 1 0 335.404 2.482 20 5 EEBDRO COc1c(F)cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282613 1321086999 /nfs/dbraw/zinc/08/69/99/1321086999.db2.gz AKMAGUOUJOFOLT-BZNIZROVSA-N 1 0 339.367 2.313 20 5 EEBDRO Cc1nnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001163353235 1321103780 /nfs/dbraw/zinc/10/37/80/1321103780.db2.gz DXRVAFXPJOOVCC-UHFFFAOYSA-N 1 0 328.307 2.144 20 5 EEBDRO COc1nc(C)nc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001163993655 1321265655 /nfs/dbraw/zinc/26/56/55/1321265655.db2.gz RNBCWHJQQXWDIF-UHFFFAOYSA-N 1 0 331.376 2.376 20 5 EEBDRO Cc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165148092 1321465611 /nfs/dbraw/zinc/46/56/11/1321465611.db2.gz HVOVRBSWQXFNAX-HUUCEWRRSA-N 1 0 339.399 2.358 20 5 EEBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001165183438 1321468299 /nfs/dbraw/zinc/46/82/99/1321468299.db2.gz FHERXXSXYJUMCA-KSSFIOAISA-N 1 0 339.399 2.440 20 5 EEBDRO [NH3+][C@H]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC001166962106 1321826291 /nfs/dbraw/zinc/82/62/91/1321826291.db2.gz RDSJYOIPEINGIV-JTQLQIEISA-N 1 0 343.721 2.364 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001262561767 1322323514 /nfs/dbraw/zinc/32/35/14/1322323514.db2.gz GTQUAKBBKGMAEB-OAHLLOKOSA-N 1 0 333.363 2.339 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001263108268 1322434607 /nfs/dbraw/zinc/43/46/07/1322434607.db2.gz SNRUDQQKCYFBOC-JFIYKMOQSA-N 1 0 329.400 2.300 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001210444168 1325286639 /nfs/dbraw/zinc/28/66/39/1325286639.db2.gz SXAHMUVYZMOUNK-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001210443768 1325287448 /nfs/dbraw/zinc/28/74/48/1325287448.db2.gz NMLGOFJEIHXIBG-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO C[C@@]12CSC[C@@H]1C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC001308134808 1331566225 /nfs/dbraw/zinc/56/62/25/1331566225.db2.gz TUYBAQVZEWHUJL-SUMWQHHRSA-N 1 0 347.440 2.169 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001310517702 1331694493 /nfs/dbraw/zinc/69/44/93/1331694493.db2.gz ACDXADKSGUMZDJ-AWEZNQCLSA-N 1 0 349.435 2.496 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001318870743 1332614737 /nfs/dbraw/zinc/61/47/37/1332614737.db2.gz PTTSZUUFFCFJTI-CQSZACIVSA-N 1 0 346.431 2.440 20 5 EEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609163332 1351871175 /nfs/dbraw/zinc/87/11/75/1351871175.db2.gz XPNMVFDHEIBZSV-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1C ZINC001609165093 1351871904 /nfs/dbraw/zinc/87/19/04/1351871904.db2.gz DALREVFHDVRJBR-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001329300863 1334622708 /nfs/dbraw/zinc/62/27/08/1334622708.db2.gz ALXXLWSWWCYLAK-SECBINFHSA-N 1 0 349.309 2.264 20 5 EEBDRO Cc1nc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001330832473 1334911385 /nfs/dbraw/zinc/91/13/85/1334911385.db2.gz YOQMBNCDTHNWIH-GJZGRUSLSA-N 1 0 325.372 2.156 20 5 EEBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001331362371 1335002654 /nfs/dbraw/zinc/00/26/54/1335002654.db2.gz WTUORQJSYDKCIE-JLZZUVOBSA-N 1 0 347.415 2.257 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001331559153 1335036378 /nfs/dbraw/zinc/03/63/78/1335036378.db2.gz XMILETBWMGTKIE-UHFFFAOYSA-N 1 0 343.431 2.217 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC001331770335 1335069623 /nfs/dbraw/zinc/06/96/23/1335069623.db2.gz KPOTZFZSBZAONE-KRWDZBQOSA-N 1 0 340.387 2.212 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001333611892 1336087440 /nfs/dbraw/zinc/08/74/40/1336087440.db2.gz PPFBYKDLPZCNGS-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001335651181 1336406830 /nfs/dbraw/zinc/40/68/30/1336406830.db2.gz XSOSNAPKHMSUDP-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001336702834 1336583293 /nfs/dbraw/zinc/58/32/93/1336583293.db2.gz GQUBIBGIJHFBLO-INIZCTEOSA-N 1 0 346.383 2.271 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001339266776 1336983038 /nfs/dbraw/zinc/98/30/38/1336983038.db2.gz WEDUNCJICRNARK-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@H](C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001575070850 1343728574 /nfs/dbraw/zinc/72/85/74/1343728574.db2.gz UQIWWGRISUGDFA-VHSXEESVSA-N 1 0 345.321 2.198 20 5 EEBDRO CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH3+])CC1 ZINC001576739474 1344053609 /nfs/dbraw/zinc/05/36/09/1344053609.db2.gz ZYEAMIFXNYVQIH-UHFFFAOYSA-N 1 0 330.392 2.048 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001579642389 1344402172 /nfs/dbraw/zinc/40/21/72/1344402172.db2.gz CWQDLQGPWORHGN-LNSITVRQSA-N 1 0 334.420 2.289 20 5 EEBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589640451 1349014134 /nfs/dbraw/zinc/01/41/34/1349014134.db2.gz NBEMDKOUELZPDA-GFCCVEGCSA-N 1 0 346.391 2.022 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001589714808 1349022968 /nfs/dbraw/zinc/02/29/68/1349022968.db2.gz LRLXHUHGZLCQJJ-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO CC1(C)CC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590084065 1349145444 /nfs/dbraw/zinc/14/54/44/1349145444.db2.gz TXUXTGNWOKUMPA-UHFFFAOYSA-N 1 0 345.407 2.496 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590512048 1349362264 /nfs/dbraw/zinc/36/22/64/1349362264.db2.gz BZIRGGSCLSEYAV-ZDUSSCGKSA-N 1 0 345.407 2.451 20 5 EEBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603304402 1350683437 /nfs/dbraw/zinc/68/34/37/1350683437.db2.gz VPAISFRNUTZOJW-NSHDSACASA-N 1 0 333.396 2.163 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1CCC[NH2+]C1 ZINC000090439256 1357071689 /nfs/dbraw/zinc/07/16/89/1357071689.db2.gz XIRVBWFRCMRBMN-VIFPVBQESA-N 1 0 348.140 2.330 20 5 EEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000852288161 1369258356 /nfs/dbraw/zinc/25/83/56/1369258356.db2.gz SFZNHEJBBNOCKP-ZWKOTPCHSA-N 1 0 330.384 2.164 20 5 EEBDRO C[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001122252051 1371954939 /nfs/dbraw/zinc/95/49/39/1371954939.db2.gz IWVSCORBGRQUDY-GFCCVEGCSA-N 1 0 325.368 2.268 20 5 EEBDRO CC(C)([NH3+])c1nocc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000848407649 1373148946 /nfs/dbraw/zinc/14/89/46/1373148946.db2.gz SSGWVNMOCJQTNJ-UHFFFAOYSA-N 1 0 338.751 2.360 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000848762355 1373176113 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CC[C@H](C)[NH+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000894101531 780752713 /nfs/dbraw/zinc/75/27/13/780752713.db2.gz IAMKVPRUKKOCLC-ZDUSSCGKSA-N 1 0 344.415 2.367 20 5 EEBDRO CN(C(=O)c1cnco1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005788658 783829148 /nfs/dbraw/zinc/82/91/48/783829148.db2.gz AWLYXEVYBINRMT-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001035186910 784063647 /nfs/dbraw/zinc/06/36/47/784063647.db2.gz KZFXSXZODQDORN-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818522118 785270716 /nfs/dbraw/zinc/27/07/16/785270716.db2.gz BKCCXMPXYDLVEF-GXFFZTMASA-N 1 0 336.348 2.059 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818563437 785293142 /nfs/dbraw/zinc/29/31/42/785293142.db2.gz LJJCGIPRIMHTDP-KBPBESRZSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818590051 785300711 /nfs/dbraw/zinc/30/07/11/785300711.db2.gz MGJCJZZIMDIMTO-XWRVAKJBSA-N 1 0 343.786 2.433 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000818603535 785318533 /nfs/dbraw/zinc/31/85/33/785318533.db2.gz BSKMMKHECIHRLV-ZDUSSCGKSA-N 1 0 341.770 2.188 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000818951297 785341138 /nfs/dbraw/zinc/34/11/38/785341138.db2.gz AOUVMUHDKUWRFR-INIZCTEOSA-N 1 0 332.356 2.435 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ncccc2Cl)c1 ZINC000819159065 785428153 /nfs/dbraw/zinc/42/81/53/785428153.db2.gz IKOPNHXLTZBUOC-AWEZNQCLSA-N 1 0 337.763 2.345 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000819266471 785500004 /nfs/dbraw/zinc/50/00/04/785500004.db2.gz YCSKDKZZJBEEKO-LLVKDONJSA-N 1 0 340.273 2.135 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821390852 786723524 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2.273 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H]3C[NH+]3CCCC3)c2c1 ZINC000172485969 791698838 /nfs/dbraw/zinc/69/88/38/791698838.db2.gz NMJOMAPQFZWYBJ-INIZCTEOSA-N 1 0 329.404 2.462 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC001148542291 792516350 /nfs/dbraw/zinc/51/63/50/792516350.db2.gz DZJVEMVWLCAGCA-UHFFFAOYSA-N 1 0 333.310 2.389 20 5 EEBDRO CC[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595675 793869075 /nfs/dbraw/zinc/86/90/75/793869075.db2.gz KOGASQNNWGSFCL-NSHDSACASA-N 1 0 340.181 2.407 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCC[NH+]2CCCCC2)n1 ZINC001093648149 795512509 /nfs/dbraw/zinc/51/25/09/795512509.db2.gz ICDTWBZEWJKNEX-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915131895 795668326 /nfs/dbraw/zinc/66/83/26/795668326.db2.gz UIADLIPYPZBGIO-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094455238 796264819 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348.321 2.151 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001173229960 797311303 /nfs/dbraw/zinc/31/13/03/797311303.db2.gz CIQUBUYXYUFVDX-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095180701 797490905 /nfs/dbraw/zinc/49/09/05/797490905.db2.gz AUSYZAREQXBXOU-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095228447 797551921 /nfs/dbraw/zinc/55/19/21/797551921.db2.gz JGXCJLKNEIDSPQ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc(C)n1 ZINC001128283904 798661745 /nfs/dbraw/zinc/66/17/45/798661745.db2.gz AUAINRUIOJXTTH-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001168737435 802317682 /nfs/dbraw/zinc/31/76/82/802317682.db2.gz XBNHFLVZIWKHSK-UHFFFAOYSA-N 1 0 347.297 2.087 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nccs1 ZINC001086511710 803182274 /nfs/dbraw/zinc/18/22/74/803182274.db2.gz AXCOYYUQBOBDIA-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001168979860 803544549 /nfs/dbraw/zinc/54/45/49/803544549.db2.gz BNQQMLJSSCFYGP-JCHJZTRSSA-N 1 0 347.459 2.311 20 5 EEBDRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168973974 803556994 /nfs/dbraw/zinc/55/69/94/803556994.db2.gz PUIGAGQMMIPXKC-GXTWGEPZSA-N 1 0 348.403 2.317 20 5 EEBDRO COc1nc(Br)ccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168992925 803560768 /nfs/dbraw/zinc/56/07/68/803560768.db2.gz LKRLSIZUINUSCX-ONGXEEELSA-N 1 0 344.209 2.388 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1cccnc1 ZINC001168999899 803565048 /nfs/dbraw/zinc/56/50/48/803565048.db2.gz WBVPELBALYWKAT-QSPRXWTASA-N 1 0 346.431 2.158 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC001168989323 803572976 /nfs/dbraw/zinc/57/29/76/803572976.db2.gz VZAPHDCEHVIPIU-GXTWGEPZSA-N 1 0 344.408 2.025 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ccccc2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001169024131 803590053 /nfs/dbraw/zinc/59/00/53/803590053.db2.gz QCNKAOWNYDBHQY-QXCFHYIPSA-N 1 0 345.443 2.459 20 5 EEBDRO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2C1 ZINC001169026992 803592202 /nfs/dbraw/zinc/59/22/02/803592202.db2.gz OQSDJDJHXPOKQY-FPCVCCKLSA-N 1 0 347.415 2.261 20 5 EEBDRO COc1nc(C)c(-n2cc(CC[NH3+])c3ncccc32)cc1[N+](=O)[O-] ZINC001169710842 803983129 /nfs/dbraw/zinc/98/31/29/803983129.db2.gz QIFSQFOJUYBRTL-UHFFFAOYSA-N 1 0 327.344 2.147 20 5 EEBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001109470882 805522328 /nfs/dbraw/zinc/52/23/28/805522328.db2.gz DTWBHDAMSISTLA-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2cccnc2)n1 ZINC000788434659 807513412 /nfs/dbraw/zinc/51/34/12/807513412.db2.gz FNYMOAOXJMOZRO-HUUCEWRRSA-N 1 0 331.376 2.339 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170296278 809869571 /nfs/dbraw/zinc/86/95/71/809869571.db2.gz GDFABMVPZDQEAI-WFASDCNBSA-N 1 0 335.404 2.135 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC001170277553 809876281 /nfs/dbraw/zinc/87/62/81/809876281.db2.gz QKFZMDROOGQRNV-MCIONIFRSA-N 1 0 329.784 2.385 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC001170290630 809883224 /nfs/dbraw/zinc/88/32/24/809883224.db2.gz DXEHFRMYUAJPLC-CYBMUJFWSA-N 1 0 335.404 2.137 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328389 809892851 /nfs/dbraw/zinc/89/28/51/809892851.db2.gz KHKBWMPLEWUEHD-SGIREYDYSA-N 1 0 326.368 2.329 20 5 EEBDRO C[C@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170562671 812887342 /nfs/dbraw/zinc/88/73/42/812887342.db2.gz JFEJNOGOUWLPNX-LRDDRELGSA-N 1 0 328.372 2.446 20 5 EEBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001520820134 1119196133 /nfs/dbraw/zinc/19/61/33/1119196133.db2.gz FSBSGIFJPHGDAJ-CYBMUJFWSA-N 1 0 336.440 2.090 20 5 EEBDRO Cc1nn(C)c(NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000052447968 214129463 /nfs/dbraw/zinc/12/94/63/214129463.db2.gz OLOAQHXFMNTTQO-UHFFFAOYSA-N 1 0 330.392 2.108 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420469250 529611960 /nfs/dbraw/zinc/61/19/60/529611960.db2.gz VIWPGURSZOLIBB-INIZCTEOSA-N 1 0 349.412 2.136 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCSC1 ZINC000492090502 282228752 /nfs/dbraw/zinc/22/87/52/282228752.db2.gz BKOSUGIJDKSAEW-XITLMJRVSA-N 1 0 335.429 2.162 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418787556 529933599 /nfs/dbraw/zinc/93/35/99/529933599.db2.gz JCXBPXYJSHVQFN-ARFHVFGLSA-N 1 0 346.431 2.167 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178181336 232101983 /nfs/dbraw/zinc/10/19/83/232101983.db2.gz XHSXTZBYYFWUPR-UHFFFAOYSA-N 1 0 342.399 2.381 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000178660055 232347538 /nfs/dbraw/zinc/34/75/38/232347538.db2.gz QUCCUIKLDKVCQI-SWLSCSKDSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655681 232342920 /nfs/dbraw/zinc/34/29/20/232342920.db2.gz CWXZKKWMRUQLQU-CABZTGNLSA-N 1 0 331.294 2.409 20 5 EEBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000261838016 290827805 /nfs/dbraw/zinc/82/78/05/290827805.db2.gz VYWASBLFNQPAIJ-CYBMUJFWSA-N 1 0 334.420 2.169 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000179590331 233199369 /nfs/dbraw/zinc/19/93/69/233199369.db2.gz DVHBNOOJMNWMNQ-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO COc1ccc(OCC[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181078572 234080835 /nfs/dbraw/zinc/08/08/35/234080835.db2.gz IIIUEWILLFLPKY-UHFFFAOYSA-N 1 0 334.376 2.201 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000182218260 234505549 /nfs/dbraw/zinc/50/55/49/234505549.db2.gz PJLGDFNQLUTVOC-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000186186455 235842348 /nfs/dbraw/zinc/84/23/48/235842348.db2.gz TXMAYMQLJPLCCC-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000189589580 237049696 /nfs/dbraw/zinc/04/96/96/237049696.db2.gz LYGSMOJTDHVHHE-UHFFFAOYSA-N 1 0 341.433 2.286 20 5 EEBDRO CN(C(=O)CN(C)C(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000419371294 239489761 /nfs/dbraw/zinc/48/97/61/239489761.db2.gz DAWGOBXLMSQAEH-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632190 240167490 /nfs/dbraw/zinc/16/74/90/240167490.db2.gz GJVKGSANNNUHQF-IHRRRGAJSA-N 1 0 334.420 2.147 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000439271257 242076169 /nfs/dbraw/zinc/07/61/69/242076169.db2.gz JCERPWAIHIKZDB-KRWDZBQOSA-N 1 0 349.387 2.130 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552211 243155316 /nfs/dbraw/zinc/15/53/16/243155316.db2.gz YKPULHQATLZVTB-IJEWVQPXSA-N 1 0 338.404 2.081 20 5 EEBDRO C[C@H]([NH2+][C@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611333 243176972 /nfs/dbraw/zinc/17/69/72/243176972.db2.gz PBEVJEMIQSUQRU-JECHBYEQSA-N 1 0 347.415 2.309 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451888873 243293403 /nfs/dbraw/zinc/29/34/03/243293403.db2.gz LMYXYJIJWIFIQP-UHFFFAOYSA-N 1 0 347.412 2.133 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000452172924 243361494 /nfs/dbraw/zinc/36/14/94/243361494.db2.gz LMXAKDIPVWXRFG-LBPRGKRZSA-N 1 0 335.379 2.219 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000076924419 216823091 /nfs/dbraw/zinc/82/30/91/216823091.db2.gz LKAWSWOHEBPSCA-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262594995 245052199 /nfs/dbraw/zinc/05/21/99/245052199.db2.gz IVJYOHOVSJWCOC-KGLIPLIRSA-N 1 0 330.388 2.136 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262739569 245153871 /nfs/dbraw/zinc/15/38/71/245153871.db2.gz IXAXOXPAIHLCSM-ZWNOBZJWSA-N 1 0 346.412 2.446 20 5 EEBDRO CN(C(=O)C[N@H+](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111303950 220136023 /nfs/dbraw/zinc/13/60/23/220136023.db2.gz FUCUCKVVPKOLKB-UHFFFAOYSA-N 1 0 335.404 2.185 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491530425 246061001 /nfs/dbraw/zinc/06/10/01/246061001.db2.gz BBGYTTRJCFFTBM-KBOKABMXSA-N 1 0 347.415 2.177 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000491850997 246181706 /nfs/dbraw/zinc/18/17/06/246181706.db2.gz VAVYRFPCYJFDDJ-ALCCZGGFSA-N 1 0 333.363 2.444 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936149 247946263 /nfs/dbraw/zinc/94/62/63/247946263.db2.gz FAQUPTMWRLQFMO-HPEDKQMDSA-N 1 0 333.388 2.325 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000266000228 248015162 /nfs/dbraw/zinc/01/51/62/248015162.db2.gz KVLDEXLNWWWMKQ-KRWDZBQOSA-N 1 0 330.388 2.237 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266186861 248157041 /nfs/dbraw/zinc/15/70/41/248157041.db2.gz AVFQWDLUFAWTRY-OAHLLOKOSA-N 1 0 344.415 2.184 20 5 EEBDRO CCN(CC[NH+]1CCCCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343805474 284929045 /nfs/dbraw/zinc/92/90/45/284929045.db2.gz LCPXKMQPLALWIZ-UHFFFAOYSA-N 1 0 334.420 2.396 20 5 EEBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000269182899 255541337 /nfs/dbraw/zinc/54/13/37/255541337.db2.gz KLERHUGZKXBKGR-UHFFFAOYSA-N 1 0 345.403 2.063 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000270452447 256137128 /nfs/dbraw/zinc/13/71/28/256137128.db2.gz LEWFAHVBHJTDCS-HIFRSBDPSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270484125 256139934 /nfs/dbraw/zinc/13/99/34/256139934.db2.gz IUASDGRARHRSCE-DOTOQJQBSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150639 256119568 /nfs/dbraw/zinc/11/95/68/256119568.db2.gz MOXXLMDEMHVOKL-BONVTDFDSA-N 1 0 330.388 2.374 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000270408845 256132413 /nfs/dbraw/zinc/13/24/13/256132413.db2.gz DLYXGTJSRPOBEL-DZGCQCFKSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270731116 256165878 /nfs/dbraw/zinc/16/58/78/256165878.db2.gz NOAXERRKHIMMNI-JTQLQIEISA-N 1 0 329.784 2.280 20 5 EEBDRO COc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271055939 256203136 /nfs/dbraw/zinc/20/31/36/256203136.db2.gz UUBMLKZGKRIRAH-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000270860776 256180678 /nfs/dbraw/zinc/18/06/78/256180678.db2.gz ICMZHHUOLNKPIF-RULNRJAQSA-N 1 0 341.795 2.278 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000271216615 256221124 /nfs/dbraw/zinc/22/11/24/256221124.db2.gz IZSJPDVFOPQCQD-COXVUDFISA-N 1 0 330.388 2.408 20 5 EEBDRO COc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000272875335 256245358 /nfs/dbraw/zinc/24/53/58/256245358.db2.gz VQZZWBHUJGPXGN-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000273168384 256272718 /nfs/dbraw/zinc/27/27/18/256272718.db2.gz OONMAXPYXCCQRA-CVEARBPZSA-N 1 0 346.383 2.048 20 5 EEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273558339 256307005 /nfs/dbraw/zinc/30/70/05/256307005.db2.gz BFZBGMKTZGCTJU-OAHLLOKOSA-N 1 0 327.388 2.343 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183362967 533279330 /nfs/dbraw/zinc/27/93/30/533279330.db2.gz SLFSKRVFIWIVQY-NEPJUHHUSA-N 1 0 348.403 2.078 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248544209 160349588 /nfs/dbraw/zinc/34/95/88/160349588.db2.gz IVSAVWMNFQHNJT-NTZNESFSSA-N 1 0 332.360 2.409 20 5 EEBDRO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352222894 153011771 /nfs/dbraw/zinc/01/17/71/153011771.db2.gz STWIBDVFNRUEOW-JTQLQIEISA-N 1 0 348.346 2.450 20 5 EEBDRO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352229099 153014665 /nfs/dbraw/zinc/01/46/65/153014665.db2.gz CWUYAYVKUBNDLY-VIFPVBQESA-N 1 0 334.319 2.408 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000377283016 154123739 /nfs/dbraw/zinc/12/37/39/154123739.db2.gz LOEVAYMBLZLWPV-UHFFFAOYSA-N 1 0 333.388 2.048 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)n1 ZINC000186946437 160087590 /nfs/dbraw/zinc/08/75/90/160087590.db2.gz CITOPCAHVWHION-UHFFFAOYSA-N 1 0 348.378 2.000 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192529316 160171201 /nfs/dbraw/zinc/17/12/01/160171201.db2.gz VWDDMWADOVMCID-HRCADAONSA-N 1 0 331.416 2.184 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000194339749 160191970 /nfs/dbraw/zinc/19/19/70/160191970.db2.gz JGVGESZGKOJHGZ-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920296 161024047 /nfs/dbraw/zinc/02/40/47/161024047.db2.gz JDGSVBZQMSTILH-CHWSQXEVSA-N 1 0 326.418 2.379 20 5 EEBDRO CSCC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000342314891 161055502 /nfs/dbraw/zinc/05/55/02/161055502.db2.gz ODPSTCHPYJYVDV-OWNNVSBGSA-N 1 0 337.445 2.408 20 5 EEBDRO Cc1sc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000343470631 161138951 /nfs/dbraw/zinc/13/89/51/161138951.db2.gz XGXTWAGOZUOVBQ-UHFFFAOYSA-N 1 0 347.462 2.119 20 5 EEBDRO C[C@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343542641 161145030 /nfs/dbraw/zinc/14/50/30/161145030.db2.gz YPXWIFXJRPACNT-SWLSCSKDSA-N 1 0 330.388 2.148 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344066313 161195483 /nfs/dbraw/zinc/19/54/83/161195483.db2.gz OUVYEWFKWYSWNJ-WCUVEOEZSA-N 1 0 344.371 2.409 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345730740 161326870 /nfs/dbraw/zinc/32/68/70/161326870.db2.gz GHQNATGOXVZIFW-KGLIPLIRSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345746332 161328308 /nfs/dbraw/zinc/32/83/08/161328308.db2.gz ASHPGRVHDIKWSS-KGLIPLIRSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000346723879 161396162 /nfs/dbraw/zinc/39/61/62/161396162.db2.gz VLANWPMXUBDEOM-OAHLLOKOSA-N 1 0 335.404 2.086 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000352377561 162111875 /nfs/dbraw/zinc/11/18/75/162111875.db2.gz IZLHSXGPSVUVFN-UHFFFAOYSA-N 1 0 332.404 2.398 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000352788929 162287601 /nfs/dbraw/zinc/28/76/01/162287601.db2.gz BGOZCCVRAMJQSA-GWCFXTLKSA-N 1 0 339.417 2.273 20 5 EEBDRO COc1c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000357164266 163640897 /nfs/dbraw/zinc/64/08/97/163640897.db2.gz DWPBJLRBAAWUJN-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359792564 164172911 /nfs/dbraw/zinc/17/29/11/164172911.db2.gz KYOZKAOHKSYYPL-UHFFFAOYSA-N 1 0 349.435 2.199 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368068379 166045323 /nfs/dbraw/zinc/04/53/23/166045323.db2.gz HXFBFEWNXCSWSB-KRWDZBQOSA-N 1 0 335.404 2.264 20 5 EEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360667400 164360802 /nfs/dbraw/zinc/36/08/02/164360802.db2.gz XCMPHAIJDZSNMN-UWVGGRQHSA-N 1 0 347.824 2.009 20 5 EEBDRO C[C@@H]1COCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374356087 167024272 /nfs/dbraw/zinc/02/42/72/167024272.db2.gz HHWODQQJUKAZBE-JTQLQIEISA-N 1 0 327.768 2.155 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000374841073 167049709 /nfs/dbraw/zinc/04/97/09/167049709.db2.gz DDPSVWGEFKLFSP-LLVKDONJSA-N 1 0 336.367 2.017 20 5 EEBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000271898580 268869846 /nfs/dbraw/zinc/86/98/46/268869846.db2.gz UYLFGQCWPODKFT-CABCVRRESA-N 1 0 333.388 2.471 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272304092 268947745 /nfs/dbraw/zinc/94/77/45/268947745.db2.gz QWSCLZFNYYZQOP-IUCAKERBSA-N 1 0 331.294 2.423 20 5 EEBDRO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272780302 269020308 /nfs/dbraw/zinc/02/03/08/269020308.db2.gz RXCNSQHPVIOEIU-NSHDSACASA-N 1 0 339.342 2.453 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000275258600 269105485 /nfs/dbraw/zinc/10/54/85/269105485.db2.gz RPXRYPMOGQYWPE-ZFWWWQNUSA-N 1 0 337.376 2.089 20 5 EEBDRO CC[C@](C)(O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000275407052 269113628 /nfs/dbraw/zinc/11/36/28/269113628.db2.gz CWYDMQTXWXRUTG-KRWDZBQOSA-N 1 0 347.419 2.144 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C[NH+](C)C)C1 ZINC000279543330 269287080 /nfs/dbraw/zinc/28/70/80/269287080.db2.gz SGMYOGVOTANWJZ-SNVBAGLBSA-N 1 0 341.795 2.423 20 5 EEBDRO C[S@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000282508224 269495377 /nfs/dbraw/zinc/49/53/77/269495377.db2.gz XFIVWQHYZMHSAF-QFIPXVFZSA-N 1 0 334.344 2.197 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000121373381 273807445 /nfs/dbraw/zinc/80/74/45/273807445.db2.gz QJYVAHXWHUZZHG-LSDHHAIUSA-N 1 0 334.420 2.309 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000269101303 274109978 /nfs/dbraw/zinc/10/99/78/274109978.db2.gz RVOMCYGHAIEDEW-DOTOQJQBSA-N 1 0 342.399 2.285 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892896 274119054 /nfs/dbraw/zinc/11/90/54/274119054.db2.gz BXYADEIUFGTYDB-SRMUXQRQSA-N 1 0 345.399 2.469 20 5 EEBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964106 274210371 /nfs/dbraw/zinc/21/03/71/274210371.db2.gz AVPHUPIDTMIOIM-NHYWBVRUSA-N 1 0 326.418 2.385 20 5 EEBDRO Cc1c(Br)c(N2CC[NH2+]C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000165695320 274658023 /nfs/dbraw/zinc/65/80/23/274658023.db2.gz JHZIHYPKNIPTLX-UHFFFAOYSA-N 1 0 329.198 2.249 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286653658 274893355 /nfs/dbraw/zinc/89/33/55/274893355.db2.gz BVELPZPWZVLDSI-ZIAGYGMSSA-N 1 0 333.388 2.059 20 5 EEBDRO CC1CC[NH+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290528083 275215596 /nfs/dbraw/zinc/21/55/96/275215596.db2.gz NUTDXGGMVNKLHH-UHFFFAOYSA-N 1 0 335.408 2.013 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC000291628949 275324679 /nfs/dbraw/zinc/32/46/79/275324679.db2.gz BLDFAWRCWSRTNW-GFCCVEGCSA-N 1 0 348.403 2.087 20 5 EEBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292128892 275381047 /nfs/dbraw/zinc/38/10/47/275381047.db2.gz IOFLHRKIOWUNHJ-SECBINFHSA-N 1 0 334.319 2.408 20 5 EEBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000271076711 277109911 /nfs/dbraw/zinc/10/99/11/277109911.db2.gz XBMUUCWIRRBUGN-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429635780 278343993 /nfs/dbraw/zinc/34/39/93/278343993.db2.gz PXXPVFJYCBCWKK-ZFWWWQNUSA-N 1 0 346.431 2.394 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000188467493 281838380 /nfs/dbraw/zinc/83/83/80/281838380.db2.gz RNQYZEABVZXJEB-CQSZACIVSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570426 293241919 /nfs/dbraw/zinc/24/19/19/293241919.db2.gz DMMPVEHQGAVVLU-FZMZJTMJSA-N 1 0 349.362 2.407 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294076326 293364272 /nfs/dbraw/zinc/36/42/72/293364272.db2.gz JLBSRKSIEZUUMB-SFHVURJKSA-N 1 0 346.431 2.219 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296051926 293880324 /nfs/dbraw/zinc/88/03/24/293880324.db2.gz FSQPAKVOHWRXBG-KBRIMQKVSA-N 1 0 345.399 2.389 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296148568 293902588 /nfs/dbraw/zinc/90/25/88/293902588.db2.gz JZAUQHRVZSVSFP-LYRGGWFBSA-N 1 0 333.388 2.327 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000297110984 294154715 /nfs/dbraw/zinc/15/47/15/294154715.db2.gz XYWYEXUWYOJXIK-CYBMUJFWSA-N 1 0 334.420 2.217 20 5 EEBDRO O=C(CC[NH2+][C@@H](CCO)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000299442313 294744420 /nfs/dbraw/zinc/74/44/20/294744420.db2.gz VYIACJRKJNARSJ-ZDUSSCGKSA-N 1 0 333.344 2.230 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C4CCCCC4)CC3)nn21 ZINC000301919703 294911118 /nfs/dbraw/zinc/91/11/18/294911118.db2.gz FJFISMUSNPCARO-UHFFFAOYSA-N 1 0 330.392 2.092 20 5 EEBDRO COc1cc(NCC[NH+]2CCC(OC)CC2)c(F)cc1[N+](=O)[O-] ZINC000301919900 294911160 /nfs/dbraw/zinc/91/11/60/294911160.db2.gz IUQHNXDEBIRMEN-UHFFFAOYSA-N 1 0 327.356 2.265 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000493635211 447357215 /nfs/dbraw/zinc/35/72/15/447357215.db2.gz VACSCKZZSKLUHH-OHVSUOQFSA-N 1 0 345.334 2.117 20 5 EEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000332417591 312004366 /nfs/dbraw/zinc/00/43/66/312004366.db2.gz OBQJPHAXKXIBSC-UHFFFAOYSA-N 1 0 349.435 2.291 20 5 EEBDRO COc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000332514799 312018314 /nfs/dbraw/zinc/01/83/14/312018314.db2.gz JMOJYLIIZOWRLB-JSGCOSHPSA-N 1 0 333.388 2.160 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)o1 ZINC000414564187 313042530 /nfs/dbraw/zinc/04/25/30/313042530.db2.gz XKFTVXXHTARDHT-WBMJQRKESA-N 1 0 332.356 2.030 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000414659828 313058683 /nfs/dbraw/zinc/05/86/83/313058683.db2.gz NIZHVCQVYSUADU-UHFFFAOYSA-N 1 0 336.392 2.265 20 5 EEBDRO CCOc1cc(NC(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414756257 313076905 /nfs/dbraw/zinc/07/69/05/313076905.db2.gz JFZZKQKSPNHIJX-JTQLQIEISA-N 1 0 340.380 2.251 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414950968 313113997 /nfs/dbraw/zinc/11/39/97/313113997.db2.gz PHWHNRGRPKPENA-DTWKUNHWSA-N 1 0 344.318 2.458 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000421743345 314153337 /nfs/dbraw/zinc/15/33/37/314153337.db2.gz WDOGACFKOAAKIU-GJZGRUSLSA-N 1 0 349.431 2.441 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435228880 314888221 /nfs/dbraw/zinc/88/82/21/314888221.db2.gz CZZJZERSXRUOOB-OAHLLOKOSA-N 1 0 344.415 2.162 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000440080449 315110848 /nfs/dbraw/zinc/11/08/48/315110848.db2.gz NVAHVZUNTBWDPI-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000443600532 315251736 /nfs/dbraw/zinc/25/17/36/315251736.db2.gz DNYYYUCUINYXPI-CYBMUJFWSA-N 1 0 335.408 2.044 20 5 EEBDRO C[C@H](CC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449098767 315416285 /nfs/dbraw/zinc/41/62/85/315416285.db2.gz KRUKEUHYJSIBGM-GFCCVEGCSA-N 1 0 343.449 2.287 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000503516342 316353702 /nfs/dbraw/zinc/35/37/02/316353702.db2.gz LNWJXNOSEFZHLY-IACUBPJLSA-N 1 0 346.330 2.084 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000516968367 316622356 /nfs/dbraw/zinc/62/23/56/316622356.db2.gz BSPTYMVKCOOKEI-VHSXEESVSA-N 1 0 328.800 2.216 20 5 EEBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537972628 318030685 /nfs/dbraw/zinc/03/06/85/318030685.db2.gz SWFLNBHKSROOHE-IUODEOHRSA-N 1 0 341.433 2.041 20 5 EEBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542726781 318137952 /nfs/dbraw/zinc/13/79/52/318137952.db2.gz AYASTLPSAAFQNO-HNNXBMFYSA-N 1 0 347.802 2.477 20 5 EEBDRO CCc1ccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568501559 319494309 /nfs/dbraw/zinc/49/43/09/319494309.db2.gz PNAGRMFEGJGOAE-QGZVFWFLSA-N 1 0 346.431 2.282 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000570908419 319708435 /nfs/dbraw/zinc/70/84/35/319708435.db2.gz BSZPXLHIWBSNDW-UHFFFAOYSA-N 1 0 344.318 2.317 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000572842711 319882673 /nfs/dbraw/zinc/88/26/73/319882673.db2.gz UTMKAWXOECRPOD-HNNXBMFYSA-N 1 0 346.431 2.022 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000573158682 319909061 /nfs/dbraw/zinc/90/90/61/319909061.db2.gz YOLQFZQCZHZFKP-UHFFFAOYSA-N 1 0 335.404 2.130 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000573930890 319980254 /nfs/dbraw/zinc/98/02/54/319980254.db2.gz GAJTZUFXHZWVGK-INIZCTEOSA-N 1 0 347.415 2.340 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000574201121 320004700 /nfs/dbraw/zinc/00/47/00/320004700.db2.gz IMUDJLHVHMXVEB-PBHICJAKSA-N 1 0 347.415 2.262 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000574355499 320017660 /nfs/dbraw/zinc/01/76/60/320017660.db2.gz WMSYLXAKELGNJG-CVEARBPZSA-N 1 0 343.383 2.219 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000574574207 320037747 /nfs/dbraw/zinc/03/77/47/320037747.db2.gz BPFCWZNGPSGYGL-JTQLQIEISA-N 1 0 338.383 2.118 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575186009 320094332 /nfs/dbraw/zinc/09/43/32/320094332.db2.gz QXEJEXVJDDOKMS-GOSISDBHSA-N 1 0 342.399 2.328 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581944398 324346814 /nfs/dbraw/zinc/34/68/14/324346814.db2.gz PHMOSZOAZQYYAK-GOSISDBHSA-N 1 0 348.447 2.301 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000582985598 324569281 /nfs/dbraw/zinc/56/92/81/324569281.db2.gz ZGSKQWYRSWSHSG-HNNXBMFYSA-N 1 0 332.356 2.133 20 5 EEBDRO COC1CC[NH+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705656 449389043 /nfs/dbraw/zinc/38/90/43/449389043.db2.gz ALEKZVIJVHUVLS-UHFFFAOYSA-N 1 0 331.376 2.061 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000133891223 462983115 /nfs/dbraw/zinc/98/31/15/462983115.db2.gz SLYRREMAMWSNQJ-AWEZNQCLSA-N 1 0 346.431 2.409 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165850688 463649190 /nfs/dbraw/zinc/64/91/90/463649190.db2.gz XSOAHQFTGVGRPO-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000347577815 465101965 /nfs/dbraw/zinc/10/19/65/465101965.db2.gz GSQKRAQHIGRFIZ-HZPDHXFCSA-N 1 0 343.431 2.386 20 5 EEBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341405379 465150169 /nfs/dbraw/zinc/15/01/69/465150169.db2.gz PVXLKCHHKIIMPS-CQSZACIVSA-N 1 0 342.399 2.279 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000351501639 465189049 /nfs/dbraw/zinc/18/90/49/465189049.db2.gz JILNQYYVHMRLHW-RDJZCZTQSA-N 1 0 335.404 2.373 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566470 468273710 /nfs/dbraw/zinc/27/37/10/468273710.db2.gz JVUQWEFVFYNRQJ-BZNIZROVSA-N 1 0 330.388 2.170 20 5 EEBDRO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000356384227 465351033 /nfs/dbraw/zinc/35/10/33/465351033.db2.gz DELBFVUAYJBVBC-WFASDCNBSA-N 1 0 334.420 2.439 20 5 EEBDRO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[NH+]1C ZINC000339621949 465395840 /nfs/dbraw/zinc/39/58/40/465395840.db2.gz VRFFXABEEXPNNK-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000590684565 468305870 /nfs/dbraw/zinc/30/58/70/468305870.db2.gz SPFKYALIXKTULL-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000087034328 462584668 /nfs/dbraw/zinc/58/46/68/462584668.db2.gz ZXZSIMVWDKFXKY-HUUCEWRRSA-N 1 0 349.431 2.143 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153472239 462654589 /nfs/dbraw/zinc/65/45/89/462654589.db2.gz XOVMDNUBZWCVDB-QGZVFWFLSA-N 1 0 333.388 2.344 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000153735437 462684769 /nfs/dbraw/zinc/68/47/69/462684769.db2.gz METAWTTWJVDZST-MRXNPFEDSA-N 1 0 334.420 2.195 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000064299930 462693222 /nfs/dbraw/zinc/69/32/22/462693222.db2.gz ZSSNVEYLPZBBEM-UHFFFAOYSA-N 1 0 339.440 2.008 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)C1CCOCC1)C1CC1 ZINC000090054327 462770612 /nfs/dbraw/zinc/77/06/12/462770612.db2.gz MDQMRSBREYXYJE-WMZOPIPTSA-N 1 0 334.416 2.293 20 5 EEBDRO Cc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000047432870 462783287 /nfs/dbraw/zinc/78/32/87/462783287.db2.gz SLCVHLWKGPJBSY-ZIAGYGMSSA-N 1 0 335.404 2.132 20 5 EEBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154674532 462795572 /nfs/dbraw/zinc/79/55/72/462795572.db2.gz IAQGNXMPNZQOBL-WBVHZDCISA-N 1 0 330.388 2.371 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154970637 462830271 /nfs/dbraw/zinc/83/02/71/462830271.db2.gz VSERYMNLWVUBTM-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000155400440 462887422 /nfs/dbraw/zinc/88/74/22/462887422.db2.gz YXPPSQGQKMMAOD-BBRMVZONSA-N 1 0 346.431 2.217 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@@H]21 ZINC000133507007 462940118 /nfs/dbraw/zinc/94/01/18/462940118.db2.gz JWVCDVRMAAPSAN-ZFWWWQNUSA-N 1 0 344.415 2.400 20 5 EEBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000052566993 463091652 /nfs/dbraw/zinc/09/16/52/463091652.db2.gz KIUQUUPWHMUBIA-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO Cc1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 ZINC000078664836 463138281 /nfs/dbraw/zinc/13/82/81/463138281.db2.gz RBMAMMSFSSSCLA-JTQLQIEISA-N 1 0 334.405 2.045 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[NH+]1CCCC1 ZINC000068467755 463140662 /nfs/dbraw/zinc/14/06/62/463140662.db2.gz REKHSKMVTOLBFU-UHFFFAOYSA-N 1 0 330.388 2.152 20 5 EEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000026854350 463174529 /nfs/dbraw/zinc/17/45/29/463174529.db2.gz BKBRQTNVCLOMDB-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027583246 463197004 /nfs/dbraw/zinc/19/70/04/463197004.db2.gz AVGGEQKYUUGTFA-KRWDZBQOSA-N 1 0 341.411 2.426 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000158063732 463201642 /nfs/dbraw/zinc/20/16/42/463201642.db2.gz UGDCTXVLLGSRTG-CYBMUJFWSA-N 1 0 337.395 2.467 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000079738733 463246027 /nfs/dbraw/zinc/24/60/27/463246027.db2.gz HNIWHBLPGAUOFZ-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000069529754 463270279 /nfs/dbraw/zinc/27/02/79/463270279.db2.gz ODCKRGUYCYHAPD-UHFFFAOYSA-N 1 0 347.415 2.484 20 5 EEBDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036753978 463439943 /nfs/dbraw/zinc/43/99/43/463439943.db2.gz XGXRRRMNRQOTNO-UHFFFAOYSA-N 1 0 345.321 2.485 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124844160 463470694 /nfs/dbraw/zinc/47/06/94/463470694.db2.gz YGTHATFDCSCHEI-LLVKDONJSA-N 1 0 347.462 2.070 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](CC2CC2)CC1 ZINC000125075235 463500472 /nfs/dbraw/zinc/50/04/72/463500472.db2.gz FTLGOYKGFSLKIB-UHFFFAOYSA-N 1 0 340.383 2.311 20 5 EEBDRO CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000162374582 463504676 /nfs/dbraw/zinc/50/46/76/463504676.db2.gz KEHOGIZSTISMGK-GHMZBOCLSA-N 1 0 337.376 2.002 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[N@H+](C)C1CC1 ZINC000057716079 463513437 /nfs/dbraw/zinc/51/34/37/463513437.db2.gz CMJDEWZCHKQAEB-CYBMUJFWSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000072637079 463527949 /nfs/dbraw/zinc/52/79/49/463527949.db2.gz ZWJADRJWEGKQBB-JKSUJKDBSA-N 1 0 332.448 2.368 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000112443852 463702377 /nfs/dbraw/zinc/70/23/77/463702377.db2.gz WCQUXOMVQJOUMV-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000185105645 463753949 /nfs/dbraw/zinc/75/39/49/463753949.db2.gz FMIVFUHYWPSUPY-MAZHCROVSA-N 1 0 344.415 2.004 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C[NH+](C)C)CCCC2)n1 ZINC000287058357 463787072 /nfs/dbraw/zinc/78/70/72/463787072.db2.gz XGPNOQYGZVPXEM-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000287136766 463810503 /nfs/dbraw/zinc/81/05/03/463810503.db2.gz DNGIZEBPZKHIFK-CYBMUJFWSA-N 1 0 348.403 2.231 20 5 EEBDRO CCOc1cc(C[NH+]2CCC(CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000276947051 463816194 /nfs/dbraw/zinc/81/61/94/463816194.db2.gz SZNDHUURWBRBLW-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000185415281 463819589 /nfs/dbraw/zinc/81/95/89/463819589.db2.gz DKRUZYZBELXCDN-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287219855 463837490 /nfs/dbraw/zinc/83/74/90/463837490.db2.gz QEEFFRZLPKSLPM-NWDGAFQWSA-N 1 0 335.408 2.140 20 5 EEBDRO O=C(NCc1ccn2ccnc2c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000178065791 463838854 /nfs/dbraw/zinc/83/88/54/463838854.db2.gz VQGMHLMOQCYCHU-UHFFFAOYSA-N 1 0 336.311 2.049 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000492334541 468383276 /nfs/dbraw/zinc/38/32/76/468383276.db2.gz BVGRETMLZFDSIV-TWPIFRAZSA-N 1 0 333.363 2.300 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000186382277 463987702 /nfs/dbraw/zinc/98/77/02/463987702.db2.gz BKOAADHEDCLTDE-UHFFFAOYSA-N 1 0 339.779 2.053 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000195178950 464011565 /nfs/dbraw/zinc/01/15/65/464011565.db2.gz VFWMEHJGLOOQDB-ZDUSSCGKSA-N 1 0 334.420 2.332 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc([N+](=O)[O-])c1 ZINC000262461343 464028771 /nfs/dbraw/zinc/02/87/71/464028771.db2.gz WFWUDZRBQSDVSU-KMUNFCNLSA-N 1 0 347.371 2.241 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262807517 464046402 /nfs/dbraw/zinc/04/64/02/464046402.db2.gz OLIMSXKUXJVGNL-RHSMWYFYSA-N 1 0 349.434 2.269 20 5 EEBDRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000195486046 464059881 /nfs/dbraw/zinc/05/98/81/464059881.db2.gz PEOTZUGUGJMEKJ-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248614 464172729 /nfs/dbraw/zinc/17/27/29/464172729.db2.gz QSEMKERZRKKXEX-DYVFJYSZSA-N 1 0 343.383 2.221 20 5 EEBDRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754704 464182165 /nfs/dbraw/zinc/18/21/65/464182165.db2.gz GPBBQARPDUQOAT-ZBFHGGJFSA-N 1 0 348.403 2.292 20 5 EEBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)(C)C[NH+](C)C ZINC000173049042 464183946 /nfs/dbraw/zinc/18/39/46/464183946.db2.gz XXKCIHLPJFRGFF-SECBINFHSA-N 1 0 326.372 2.022 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000298644165 465458695 /nfs/dbraw/zinc/45/86/95/465458695.db2.gz PWQSHGJYJUPPHE-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281102380 464333303 /nfs/dbraw/zinc/33/33/03/464333303.db2.gz ANZKYYPFZAFZMX-KRWDZBQOSA-N 1 0 336.388 2.387 20 5 EEBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987676 464437721 /nfs/dbraw/zinc/43/77/21/464437721.db2.gz FUMBPIBUBOPANM-UXLLHSPISA-N 1 0 336.388 2.340 20 5 EEBDRO C[N@H+](CCc1ccncc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000181480402 464496434 /nfs/dbraw/zinc/49/64/34/464496434.db2.gz XQIVPPTUGSZYSD-KRWDZBQOSA-N 1 0 340.383 2.270 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccnc1 ZINC000181655774 464518744 /nfs/dbraw/zinc/51/87/44/464518744.db2.gz OVFXCSDAMQYJTH-LRDDRELGSA-N 1 0 326.356 2.446 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000272228692 464527596 /nfs/dbraw/zinc/52/75/96/464527596.db2.gz VHLKGRVJUGMXCU-AWEZNQCLSA-N 1 0 348.447 2.220 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000281636856 464530513 /nfs/dbraw/zinc/53/05/13/464530513.db2.gz HAMJKAFVEFKSHK-UHFFFAOYSA-N 1 0 349.416 2.157 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000246067366 464538530 /nfs/dbraw/zinc/53/85/30/464538530.db2.gz SCBPQDIEIJIVMK-ZENOOKHLSA-N 1 0 335.404 2.190 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000272371683 464581938 /nfs/dbraw/zinc/58/19/38/464581938.db2.gz BPRMVIPTIUIPEJ-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265573803 464606158 /nfs/dbraw/zinc/60/61/58/464606158.db2.gz LZJDZDQHQZGXHR-CYBMUJFWSA-N 1 0 348.403 2.231 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285675181 464654817 /nfs/dbraw/zinc/65/48/17/464654817.db2.gz JAJCAGKPLFVXHV-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000294952351 464661011 /nfs/dbraw/zinc/66/10/11/464661011.db2.gz AWYCAKFIFBBWHU-UONOGXRCSA-N 1 0 346.431 2.338 20 5 EEBDRO Cc1nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000294964704 464665062 /nfs/dbraw/zinc/66/50/62/464665062.db2.gz LHPYIASRXRPABZ-OAHLLOKOSA-N 1 0 342.403 2.047 20 5 EEBDRO CC1CC[NH+](C[C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000176245603 464730416 /nfs/dbraw/zinc/73/04/16/464730416.db2.gz OWPCEWJYOSXRKM-MRXNPFEDSA-N 1 0 335.452 2.235 20 5 EEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465363 464756254 /nfs/dbraw/zinc/75/62/54/464756254.db2.gz RPPGQIFDFAEPST-FRRDWIJNSA-N 1 0 326.418 2.160 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000295552995 464879528 /nfs/dbraw/zinc/87/95/28/464879528.db2.gz XEJDEKDUGIWNHG-YVEFUNNKSA-N 1 0 330.388 2.380 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176911725 464883559 /nfs/dbraw/zinc/88/35/59/464883559.db2.gz CWARTMUPQXLXHW-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184608548 465007609 /nfs/dbraw/zinc/00/76/09/465007609.db2.gz AUHNKEVYHHALAB-ZDUSSCGKSA-N 1 0 333.344 2.494 20 5 EEBDRO COC(=O)c1cnc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000276649059 465014924 /nfs/dbraw/zinc/01/49/24/465014924.db2.gz YSWAAIMXLYZQCU-UHFFFAOYSA-N 1 0 334.376 2.063 20 5 EEBDRO CC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000347971793 465344046 /nfs/dbraw/zinc/34/40/46/465344046.db2.gz TWZBQUSWNDPZRK-GFCCVEGCSA-N 1 0 340.343 2.385 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339581203 465363183 /nfs/dbraw/zinc/36/31/83/465363183.db2.gz AHJJEBNNSIDIGG-NWDGAFQWSA-N 1 0 326.324 2.127 20 5 EEBDRO Cc1nc(NCCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000348349800 465562162 /nfs/dbraw/zinc/56/21/62/465562162.db2.gz XJDZJBHTQQSTSQ-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000360930498 465639811 /nfs/dbraw/zinc/63/98/11/465639811.db2.gz VNTFANKMMNLKFK-HNNXBMFYSA-N 1 0 347.415 2.369 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000357018545 465704742 /nfs/dbraw/zinc/70/47/42/465704742.db2.gz ABHHUXKGBNRRRS-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330597779 465724183 /nfs/dbraw/zinc/72/41/83/465724183.db2.gz SNOIAUKCNWGAGI-CHWSQXEVSA-N 1 0 334.420 2.256 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591352756 468455805 /nfs/dbraw/zinc/45/58/05/468455805.db2.gz IMOKDYKQEPYBCR-WBVHZDCISA-N 1 0 346.431 2.311 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176627 465963448 /nfs/dbraw/zinc/96/34/48/465963448.db2.gz KDXZHWCYMHLWEZ-GRDNDAEWSA-N 1 0 347.415 2.162 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000361423593 465983073 /nfs/dbraw/zinc/98/30/73/465983073.db2.gz VCZUCJIGCCLZOU-OAHLLOKOSA-N 1 0 336.388 2.244 20 5 EEBDRO CNc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216392 465999948 /nfs/dbraw/zinc/99/99/48/465999948.db2.gz INJDWGMKRACHCX-WOSRLPQWSA-N 1 0 346.431 2.439 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 ZINC000346264293 466039164 /nfs/dbraw/zinc/03/91/64/466039164.db2.gz CQMIZRAEGJASJU-MRXNPFEDSA-N 1 0 335.429 2.241 20 5 EEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336016 466085741 /nfs/dbraw/zinc/08/57/41/466085741.db2.gz PKEZPCMUBWTZAM-JQFCIGGWSA-N 1 0 342.399 2.198 20 5 EEBDRO CCOc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000303042285 466218793 /nfs/dbraw/zinc/21/87/93/466218793.db2.gz SOTBZPKPDRLSLF-UHFFFAOYSA-N 1 0 347.375 2.004 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000349968647 466331203 /nfs/dbraw/zinc/33/12/03/466331203.db2.gz VEBLMIHEPXAELR-VIFPVBQESA-N 1 0 348.325 2.269 20 5 EEBDRO Cc1cc(N2C[C@@H]([NH+](C)C)[C@@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338728910 466340858 /nfs/dbraw/zinc/34/08/58/466340858.db2.gz RNHQZIMXLLWGPR-OLZOCXBDSA-N 1 0 333.310 2.033 20 5 EEBDRO Cn1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000332105016 466390040 /nfs/dbraw/zinc/39/00/40/466390040.db2.gz DXWYFNQVVRISST-UHFFFAOYSA-N 1 0 334.420 2.460 20 5 EEBDRO CCC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318540 466558969 /nfs/dbraw/zinc/55/89/69/466558969.db2.gz UBVKJBOEYQBUSO-WFASDCNBSA-N 1 0 326.418 2.460 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000354446060 466573924 /nfs/dbraw/zinc/57/39/24/466573924.db2.gz MZNHXYIKOZCTFN-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO CC1CC[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347400854 466612103 /nfs/dbraw/zinc/61/21/03/466612103.db2.gz AAOAXZSKZYMUGB-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347428771 466628801 /nfs/dbraw/zinc/62/88/01/466628801.db2.gz JUEVYEBSUSIUEF-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH3+])cc1OC ZINC000591686238 468503336 /nfs/dbraw/zinc/50/33/36/468503336.db2.gz WXOIPEPCERGGCF-UHFFFAOYSA-N 1 0 339.392 2.249 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423282049 466708522 /nfs/dbraw/zinc/70/85/22/466708522.db2.gz WHNFUJWRQCQINU-RHSMWYFYSA-N 1 0 343.431 2.397 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365315441 466777208 /nfs/dbraw/zinc/77/72/08/466777208.db2.gz JHBOZSNVNUWJRN-UONOGXRCSA-N 1 0 333.388 2.107 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373405225 466793020 /nfs/dbraw/zinc/79/30/20/466793020.db2.gz NOKARFFRVFSSDY-OLZOCXBDSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1ccc(CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417187169 466797822 /nfs/dbraw/zinc/79/78/22/466797822.db2.gz GBYCJCRUZUNTJW-YPMHNXCESA-N 1 0 336.392 2.015 20 5 EEBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411346044 466810403 /nfs/dbraw/zinc/81/04/03/466810403.db2.gz LSEMFEPAMFOHDH-UHFFFAOYSA-N 1 0 349.387 2.341 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423725198 466814831 /nfs/dbraw/zinc/81/48/31/466814831.db2.gz NPFJAYKLNRNPJF-YPMHNXCESA-N 1 0 331.376 2.707 20 5 EEBDRO COC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365819380 466949885 /nfs/dbraw/zinc/94/98/85/466949885.db2.gz JMIVIHIUBOBQKM-UHFFFAOYSA-N 1 0 344.371 2.415 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411985572 466959029 /nfs/dbraw/zinc/95/90/29/466959029.db2.gz DSVHTGKSUKUUSR-CZUORRHYSA-N 1 0 338.404 2.259 20 5 EEBDRO Cn1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424049140 466963186 /nfs/dbraw/zinc/96/31/86/466963186.db2.gz ZAZKIQWFYUMRFH-KGLIPLIRSA-N 1 0 346.362 2.029 20 5 EEBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000424048035 466963723 /nfs/dbraw/zinc/96/37/23/466963723.db2.gz WTJRSQZBXYSBAK-UHFFFAOYSA-N 1 0 343.427 2.407 20 5 EEBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425488952 467098733 /nfs/dbraw/zinc/09/87/33/467098733.db2.gz XNASANSUUSJCRF-MRXNPFEDSA-N 1 0 334.420 2.195 20 5 EEBDRO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413029082 467157728 /nfs/dbraw/zinc/15/77/28/467157728.db2.gz FKDYEXFTULGGLL-UHFFFAOYSA-N 1 0 347.341 2.058 20 5 EEBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000413350587 467223019 /nfs/dbraw/zinc/22/30/19/467223019.db2.gz XBSGAKVIXVDZAY-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000413361069 467224946 /nfs/dbraw/zinc/22/49/46/467224946.db2.gz NYKUQJHFVATCAL-UHFFFAOYSA-N 1 0 345.403 2.311 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413451657 467245421 /nfs/dbraw/zinc/24/54/21/467245421.db2.gz ZYNBGBZNVABTTH-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000428889196 467278897 /nfs/dbraw/zinc/27/88/97/467278897.db2.gz VOLHKYPLMVIMNM-ZDUSSCGKSA-N 1 0 331.376 2.180 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433861809 467359199 /nfs/dbraw/zinc/35/91/99/467359199.db2.gz FUGQGQIZHDVPFS-GFCCVEGCSA-N 1 0 337.424 2.436 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C[NH3+])C1 ZINC000420332437 467362147 /nfs/dbraw/zinc/36/21/47/467362147.db2.gz JNXVIVAZGAUWGO-SMDDNHRTSA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C[NH3+])C1 ZINC000420332435 467362485 /nfs/dbraw/zinc/36/24/85/467362485.db2.gz JNXVIVAZGAUWGO-FZMZJTMJSA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334473 467363476 /nfs/dbraw/zinc/36/34/76/467363476.db2.gz GMSBXMWOZSZGGH-DZGCQCFKSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379496236 467368365 /nfs/dbraw/zinc/36/83/65/467368365.db2.gz QXUDDDMNHIPKPQ-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO CNc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000434418923 467397866 /nfs/dbraw/zinc/39/78/66/467397866.db2.gz GXHYASLXZMDMOV-CYBMUJFWSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414661350 467425659 /nfs/dbraw/zinc/42/56/59/467425659.db2.gz PTEOVIOAOSTRJQ-ZBFHGGJFSA-N 1 0 348.403 2.263 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000394283189 467432699 /nfs/dbraw/zinc/43/26/99/467432699.db2.gz HIUNZVWWCSNKFL-LLVKDONJSA-N 1 0 347.209 2.437 20 5 EEBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430545150 467437476 /nfs/dbraw/zinc/43/74/76/467437476.db2.gz HHPFGDPOMADWLE-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405339451 467480498 /nfs/dbraw/zinc/48/04/98/467480498.db2.gz HDFMFDDEIOPOQB-FZMZJTMJSA-N 1 0 341.433 2.041 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430954914 467481884 /nfs/dbraw/zinc/48/18/84/467481884.db2.gz YEFNBUSQEAKJPW-JTQLQIEISA-N 1 0 345.346 2.246 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453416503 467486289 /nfs/dbraw/zinc/48/62/89/467486289.db2.gz XOKSWTZAHUNNBP-CABCVRRESA-N 1 0 330.392 2.206 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930119 467518507 /nfs/dbraw/zinc/51/85/07/467518507.db2.gz BUXGLCIPOYBMFM-TZMCWYRMSA-N 1 0 335.404 2.182 20 5 EEBDRO CNc1nc(C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000454478644 467595496 /nfs/dbraw/zinc/59/54/96/467595496.db2.gz LVIGRZZUVOGPRB-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EEBDRO C[C@@H](CC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449100519 467618077 /nfs/dbraw/zinc/61/80/77/467618077.db2.gz RPGFEGRBIHVMDH-LBPRGKRZSA-N 1 0 343.449 2.287 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449565846 467662654 /nfs/dbraw/zinc/66/26/54/467662654.db2.gz LLMPKORJUXHNPM-JTQLQIEISA-N 1 0 329.784 2.261 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449597345 467668382 /nfs/dbraw/zinc/66/83/82/467668382.db2.gz DRRYBJNDEOYZTE-TZMCWYRMSA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449658591 467680115 /nfs/dbraw/zinc/68/01/15/467680115.db2.gz BEJFGDMBWSCGIU-JOYOIKCWSA-N 1 0 345.371 2.189 20 5 EEBDRO COc1cc(C[NH2+]CC(C)(C)C(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000449729388 467702166 /nfs/dbraw/zinc/70/21/66/467702166.db2.gz ZHQZAKADOWSLOO-UHFFFAOYSA-N 1 0 326.393 2.499 20 5 EEBDRO Cc1cc(OCC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458214300 467790454 /nfs/dbraw/zinc/79/04/54/467790454.db2.gz MLGCKJIHGRASLN-AWEZNQCLSA-N 1 0 335.404 2.130 20 5 EEBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514642134 467944839 /nfs/dbraw/zinc/94/48/39/467944839.db2.gz MPEKJWJCYIYEGM-LSDHHAIUSA-N 1 0 349.431 2.315 20 5 EEBDRO CCc1cnccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514668641 467947102 /nfs/dbraw/zinc/94/71/02/467947102.db2.gz IXHFHUVYWAOSOY-INIZCTEOSA-N 1 0 331.372 2.082 20 5 EEBDRO Cc1ncn(-c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)c1C ZINC000515361376 467988408 /nfs/dbraw/zinc/98/84/08/467988408.db2.gz IHQFTUHDQCYVDR-UHFFFAOYSA-N 1 0 326.316 2.373 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000516139217 468014447 /nfs/dbraw/zinc/01/44/47/468014447.db2.gz YMIGORWWVDBAED-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000531726245 468071752 /nfs/dbraw/zinc/07/17/52/468071752.db2.gz SKBNJXMZGGFXQP-LSDHHAIUSA-N 1 0 347.415 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCO)CC1 ZINC000532555345 468123851 /nfs/dbraw/zinc/12/38/51/468123851.db2.gz DPNNHJWEEQYEFS-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000550367678 468215284 /nfs/dbraw/zinc/21/52/84/468215284.db2.gz RTMBEUZGVBFAIC-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO O=C1NCC[C@]12CCCN2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000569822607 468550406 /nfs/dbraw/zinc/55/04/06/468550406.db2.gz OPZGGBOODWIPFE-QGZVFWFLSA-N 1 0 342.355 2.104 20 5 EEBDRO C[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000569841033 468552152 /nfs/dbraw/zinc/55/21/52/468552152.db2.gz MZUBUCZFYXHNFG-UONOGXRCSA-N 1 0 335.404 2.116 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418819 468579910 /nfs/dbraw/zinc/57/99/10/468579910.db2.gz LVYALHIIRHEHER-VXGBXAGGSA-N 1 0 335.408 2.188 20 5 EEBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000594522751 468614854 /nfs/dbraw/zinc/61/48/54/468614854.db2.gz SEBOLRSMMXNZNT-HUUCEWRRSA-N 1 0 341.415 2.192 20 5 EEBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCOCC2 ZINC000592183020 468648211 /nfs/dbraw/zinc/64/82/11/468648211.db2.gz HGSQGMVWZNBZFJ-GFCCVEGCSA-N 1 0 333.388 2.085 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594801465 468691886 /nfs/dbraw/zinc/69/18/86/468691886.db2.gz OXQCEISWPIJQOZ-LBPRGKRZSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592484398 468708248 /nfs/dbraw/zinc/70/82/48/468708248.db2.gz AJTGGQBIKPNKDC-UKRRQHHQSA-N 1 0 334.420 2.160 20 5 EEBDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000583517071 468709211 /nfs/dbraw/zinc/70/92/11/468709211.db2.gz AWEZNXPXXFBVFU-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554677 468729522 /nfs/dbraw/zinc/72/95/22/468729522.db2.gz LQNDFEKDGQGOLL-JKSUJKDBSA-N 1 0 331.416 2.376 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1O ZINC000594959829 468731805 /nfs/dbraw/zinc/73/18/05/468731805.db2.gz GZQHFKCXELZKPW-VXEWELBQSA-N 1 0 342.417 2.088 20 5 EEBDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000594969539 468734961 /nfs/dbraw/zinc/73/49/61/468734961.db2.gz QHILQBLMEMGHPT-LBPRGKRZSA-N 1 0 330.388 2.246 20 5 EEBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966013 468829960 /nfs/dbraw/zinc/82/99/60/468829960.db2.gz REMSMDJBBJQHGA-CQSZACIVSA-N 1 0 339.342 2.331 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560974 468913509 /nfs/dbraw/zinc/91/35/09/468913509.db2.gz OWPNFXLQPFZDJO-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562301311 468933182 /nfs/dbraw/zinc/93/31/82/468933182.db2.gz LINDRQLKJLIFEK-ZIAGYGMSSA-N 1 0 349.431 2.002 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598652427 468945817 /nfs/dbraw/zinc/94/58/17/468945817.db2.gz YZPZEHXBXIDGLP-GXTWGEPZSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595672347 468948422 /nfs/dbraw/zinc/94/84/22/468948422.db2.gz ICBSKGXPPJQNHC-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598668610 468951645 /nfs/dbraw/zinc/95/16/45/468951645.db2.gz BJUQEXQWXFJUGX-MQIPJXDCSA-N 1 0 335.429 2.415 20 5 EEBDRO CCCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602656489 468991685 /nfs/dbraw/zinc/99/16/85/468991685.db2.gz VEZGTIQMCOPLBO-INIZCTEOSA-N 1 0 347.463 2.423 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595877507 469059135 /nfs/dbraw/zinc/05/91/35/469059135.db2.gz UOMBBUMSHCMYJM-BONVTDFDSA-N 1 0 341.795 2.137 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000602767902 469061267 /nfs/dbraw/zinc/06/12/67/469061267.db2.gz LEQOISAJLGXNLK-HOTGVXAUSA-N 1 0 341.415 2.168 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000602800251 469084568 /nfs/dbraw/zinc/08/45/68/469084568.db2.gz XLCLKCQUCAQDGD-AWEZNQCLSA-N 1 0 347.423 2.152 20 5 EEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587997145 469101982 /nfs/dbraw/zinc/10/19/82/469101982.db2.gz GZLXHOWNULPHPK-CQSZACIVSA-N 1 0 336.411 2.339 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595972369 469102383 /nfs/dbraw/zinc/10/23/83/469102383.db2.gz BAJRLVMUVKEWQT-UKRRQHHQSA-N 1 0 334.420 2.373 20 5 EEBDRO CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)F ZINC000599093971 469117135 /nfs/dbraw/zinc/11/71/35/469117135.db2.gz CFPHPJDIFIRWQJ-NWDGAFQWSA-N 1 0 331.367 2.062 20 5 EEBDRO O=c1[nH]ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596063362 469134899 /nfs/dbraw/zinc/13/48/99/469134899.db2.gz QAOLHONBIDPQCJ-UHFFFAOYSA-N 1 0 328.372 2.408 20 5 EEBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000596065831 469136070 /nfs/dbraw/zinc/13/60/70/469136070.db2.gz VHMAMJRFEXIZCD-DOTOQJQBSA-N 1 0 338.404 2.129 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000596065833 469136079 /nfs/dbraw/zinc/13/60/79/469136079.db2.gz VHMAMJRFEXIZCD-RDJZCZTQSA-N 1 0 338.404 2.129 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599161176 469142969 /nfs/dbraw/zinc/14/29/69/469142969.db2.gz URRCSDLZZBMIJE-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090501 469150338 /nfs/dbraw/zinc/15/03/38/469150338.db2.gz WKXAAOJGINYJMD-TZMCWYRMSA-N 1 0 327.388 2.819 20 5 EEBDRO CC[C@@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000602925453 469167606 /nfs/dbraw/zinc/16/76/06/469167606.db2.gz VWUOHGPCMNMHBU-JKSUJKDBSA-N 1 0 336.367 2.206 20 5 EEBDRO COc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000573778449 469202497 /nfs/dbraw/zinc/20/24/97/469202497.db2.gz XFVBKNDFWGKQOA-AWEZNQCLSA-N 1 0 335.404 2.087 20 5 EEBDRO CC[C@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000602984006 469206403 /nfs/dbraw/zinc/20/64/03/469206403.db2.gz ZJTDAPKWFZWCTO-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO O=c1[nH]ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000596281033 469231033 /nfs/dbraw/zinc/23/10/33/469231033.db2.gz LQFUCXSEIPGYDN-GOEBONIOSA-N 1 0 340.383 2.406 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603081485 469254304 /nfs/dbraw/zinc/25/43/04/469254304.db2.gz BESLGTAFIZZTKL-UHFFFAOYSA-N 1 0 344.346 2.481 20 5 EEBDRO CC(C)OCC[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611707953 469306730 /nfs/dbraw/zinc/30/67/30/469306730.db2.gz OHTDKHWFOLVRME-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000611780460 469322161 /nfs/dbraw/zinc/32/21/61/469322161.db2.gz BYQGITFRBCIEJX-CVEARBPZSA-N 1 0 339.823 2.279 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602541677 469354448 /nfs/dbraw/zinc/35/44/48/469354448.db2.gz QQFKJSKIUZNYRD-ONGXEEELSA-N 1 0 331.294 2.194 20 5 EEBDRO COc1ccc(C)cc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612029843 469369983 /nfs/dbraw/zinc/36/99/83/469369983.db2.gz FXXNWGDRBKNEQK-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407266 469383517 /nfs/dbraw/zinc/38/35/17/469383517.db2.gz CKHVBBMIPOVFNU-UHFFFAOYSA-N 1 0 337.424 2.175 20 5 EEBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000604552351 469490633 /nfs/dbraw/zinc/49/06/33/469490633.db2.gz JUHBAODTPLFXCD-ZDUSSCGKSA-N 1 0 344.415 2.396 20 5 EEBDRO CNc1nc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454772407 485483436 /nfs/dbraw/zinc/48/34/36/485483436.db2.gz XSCOJVVOVFQPDR-ZDUSSCGKSA-N 1 0 349.435 2.416 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174196945 534461951 /nfs/dbraw/zinc/46/19/51/534461951.db2.gz NOQYWHYRSHTZLU-INIZCTEOSA-N 1 0 346.431 2.265 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153630301 527714178 /nfs/dbraw/zinc/71/41/78/527714178.db2.gz PXKHUJMGDYHRHR-AWEZNQCLSA-N 1 0 338.408 2.382 20 5 EEBDRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000171692520 527733682 /nfs/dbraw/zinc/73/36/82/527733682.db2.gz RKHKYJSUWCZHCH-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000178583935 528263041 /nfs/dbraw/zinc/26/30/41/528263041.db2.gz OOJUAEBOGMWJQD-AWEZNQCLSA-N 1 0 346.431 2.252 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000264145884 535525209 /nfs/dbraw/zinc/52/52/09/535525209.db2.gz GTZOYNQGAMTPBT-UHFFFAOYSA-N 1 0 337.420 2.334 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451729077 536141252 /nfs/dbraw/zinc/14/12/52/536141252.db2.gz IXCGEPRJCFKSTQ-AWEZNQCLSA-N 1 0 337.420 2.398 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000451772517 536418832 /nfs/dbraw/zinc/41/88/32/536418832.db2.gz ASZFRKJVZJQUHK-LSDHHAIUSA-N 1 0 340.420 2.063 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425061515 536487702 /nfs/dbraw/zinc/48/77/02/536487702.db2.gz ZDZSEQFGCGKFOK-SWLSCSKDSA-N 1 0 337.807 2.343 20 5 EEBDRO COc1cc(C[NH2+]CCN2CCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000725848875 576068117 /nfs/dbraw/zinc/06/81/17/576068117.db2.gz AVZFVYHCQFNPFP-UHFFFAOYSA-N 1 0 343.383 2.461 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cccc([N+](=O)[O-])c1C ZINC000727981576 576465438 /nfs/dbraw/zinc/46/54/38/576465438.db2.gz OJZMADKUQKXVPE-LBPRGKRZSA-N 1 0 337.449 2.179 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000772138807 577254068 /nfs/dbraw/zinc/25/40/68/577254068.db2.gz YZJUDXBCBIASKU-UHFFFAOYSA-N 1 0 333.344 2.347 20 5 EEBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580953 577463136 /nfs/dbraw/zinc/46/31/36/577463136.db2.gz APIUVJZKNZAGGD-WMLDXEAASA-N 1 0 349.431 2.257 20 5 EEBDRO CCO[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760890529 577671463 /nfs/dbraw/zinc/67/14/63/577671463.db2.gz XSZVVJUUVKBXAL-MSOLQXFVSA-N 1 0 349.431 2.347 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761055688 577675177 /nfs/dbraw/zinc/67/51/77/577675177.db2.gz MHPBLNWRUKTIDD-PWSUYJOCSA-N 1 0 334.294 2.219 20 5 EEBDRO CN(C(=O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000754251407 577803070 /nfs/dbraw/zinc/80/30/70/577803070.db2.gz SVAREROMNGJKNA-INIZCTEOSA-N 1 0 335.404 2.009 20 5 EEBDRO NC(=O)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000754506502 577807318 /nfs/dbraw/zinc/80/73/18/577807318.db2.gz VADXSXBNWHMTSE-HOTGVXAUSA-N 1 0 335.404 2.042 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000742413080 577872690 /nfs/dbraw/zinc/87/26/90/577872690.db2.gz ZLRWQFNVHBKSCQ-BXKDBHETSA-N 1 0 338.364 2.198 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000749645201 577979425 /nfs/dbraw/zinc/97/94/25/577979425.db2.gz HMKUNHRTJTUHHO-MRXNPFEDSA-N 1 0 344.367 2.232 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074398 577986699 /nfs/dbraw/zinc/98/66/99/577986699.db2.gz YFTNBGPJXKHZFK-YJBOKZPZSA-N 1 0 333.432 2.292 20 5 EEBDRO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000740859051 578108166 /nfs/dbraw/zinc/10/81/66/578108166.db2.gz IRCQPUKFRKRWMR-PEBVRCNWSA-N 1 0 346.387 2.050 20 5 EEBDRO CCN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000934044720 677768196 /nfs/dbraw/zinc/76/81/96/677768196.db2.gz WRAIXRDOTSIVEX-UHFFFAOYSA-N 1 0 347.419 2.363 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000934398456 678334647 /nfs/dbraw/zinc/33/46/47/678334647.db2.gz ZKRZYDMVEXFTMW-KVPRVUCYSA-N 1 0 329.400 2.440 20 5 EEBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177920478 681589293 /nfs/dbraw/zinc/58/92/93/681589293.db2.gz WBATUZZCVNPXHH-UHFFFAOYSA-N 1 0 343.767 2.118 20 5 EEBDRO CN(C)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237079330 682081835 /nfs/dbraw/zinc/08/18/35/682081835.db2.gz MORXGFCRPRNCDE-UHFFFAOYSA-N 1 0 331.420 2.425 20 5 EEBDRO C[C@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000892777217 683032662 /nfs/dbraw/zinc/03/26/62/683032662.db2.gz INRNLZUGMFPWRC-GTNSWQLSSA-N 1 0 335.379 2.438 20 5 EEBDRO C[C@@]1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[NH+]2CCC1CC2 ZINC000892784598 683050260 /nfs/dbraw/zinc/05/02/60/683050260.db2.gz JHTRVZBGFQHJPD-GOSISDBHSA-N 1 0 342.399 2.150 20 5 EEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000128540319 693766400 /nfs/dbraw/zinc/76/64/00/693766400.db2.gz SLTVHRZPORFHKP-GJZGRUSLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893091303 683727031 /nfs/dbraw/zinc/72/70/31/683727031.db2.gz AAGCNMHCICUWPT-DZGCQCFKSA-N 1 0 340.445 2.330 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000895280386 684425057 /nfs/dbraw/zinc/42/50/57/684425057.db2.gz SZBQGSDHNGNVFK-ZDUSSCGKSA-N 1 0 326.356 2.341 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000895544383 684638693 /nfs/dbraw/zinc/63/86/93/684638693.db2.gz LAAYDHVJFPNADT-ZDUSSCGKSA-N 1 0 340.351 2.328 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CCN(Cc4cn[nH]c4)CC3)c2c1 ZINC000895959961 684784457 /nfs/dbraw/zinc/78/44/57/684784457.db2.gz KQJHTYFLKFFQFO-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1F ZINC000866918700 686565738 /nfs/dbraw/zinc/56/57/38/686565738.db2.gz OXQXXACWQURZBI-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC000985427133 686676297 /nfs/dbraw/zinc/67/62/97/686676297.db2.gz XKPOOCKSALBWAS-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000904461690 694394575 /nfs/dbraw/zinc/39/45/75/694394575.db2.gz NAJOLHKLFCFFNJ-RDTXWAMCSA-N 1 0 341.367 2.080 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424020943 694495371 /nfs/dbraw/zinc/49/53/71/694495371.db2.gz AHLCTRRFLBHKAI-BLLLJJGKSA-N 1 0 335.429 2.430 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001034641014 1196461951 /nfs/dbraw/zinc/46/19/51/1196461951.db2.gz MBRBNULQHZJPPE-HDJSIYSDSA-N 1 0 343.387 2.149 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000872051885 1198035948 /nfs/dbraw/zinc/03/59/48/1198035948.db2.gz OIWZEKBYMOIJGG-ZJUUUORDSA-N 1 0 332.447 2.400 20 5 EEBDRO Cc1ccc(NCCCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676829 1199718032 /nfs/dbraw/zinc/71/80/32/1199718032.db2.gz ZBBVQMGSNRVGMM-PMGBHYCQSA-N 1 0 346.431 2.377 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158674916 1199879520 /nfs/dbraw/zinc/87/95/20/1199879520.db2.gz FFKBENZEXFUWCE-GFCCVEGCSA-N 1 0 331.829 2.325 20 5 EEBDRO Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000877240551 1199886697 /nfs/dbraw/zinc/88/66/97/1199886697.db2.gz BBWJGYOVUCFQDH-CYBMUJFWSA-N 1 0 331.294 2.061 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000825997419 1200068718 /nfs/dbraw/zinc/06/87/18/1200068718.db2.gz BYKATCOBRSNRBY-HUUCEWRRSA-N 1 0 337.420 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](CO)C3)s2)cc1 ZINC000877764355 1200078839 /nfs/dbraw/zinc/07/88/39/1200078839.db2.gz BKPXUDQXQVXSIN-OKILXGFUSA-N 1 0 348.424 2.356 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C3CCCC3)CC2)cn1 ZINC000877777648 1200095247 /nfs/dbraw/zinc/09/52/47/1200095247.db2.gz DAQNAIJJLBIVMX-KRWDZBQOSA-N 1 0 348.447 2.489 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CO)(CO)CC2)o1 ZINC000877797419 1200114045 /nfs/dbraw/zinc/11/40/45/1200114045.db2.gz HGSKMPPTQRWOJF-UHFFFAOYSA-N 1 0 346.383 2.422 20 5 EEBDRO C[C@@H](Cc1ccsc1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831271 1200136029 /nfs/dbraw/zinc/13/60/29/1200136029.db2.gz QWOCSWJSOVDWDV-IUIKQTSFSA-N 1 0 336.413 2.271 20 5 EEBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000795118846 1200645242 /nfs/dbraw/zinc/64/52/42/1200645242.db2.gz AMTDJFAXRMDFNE-KDOFPFPSSA-N 1 0 333.432 2.434 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000812883346 1200968145 /nfs/dbraw/zinc/96/81/45/1200968145.db2.gz STUDCISPZPQKCI-RTBURBONSA-N 1 0 342.395 2.264 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962578 1201325510 /nfs/dbraw/zinc/32/55/10/1201325510.db2.gz SRXVFYPKHQJRMF-STQMWFEESA-N 1 0 335.404 2.405 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880204940 1201421448 /nfs/dbraw/zinc/42/14/48/1201421448.db2.gz MSDHYQQEVHZIAQ-MRXNPFEDSA-N 1 0 349.431 2.336 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c(=O)n1C ZINC000866349339 1201497809 /nfs/dbraw/zinc/49/78/09/1201497809.db2.gz IPENZRFMKQIWRU-NSHDSACASA-N 1 0 333.363 2.462 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(O)CCOCC1 ZINC000866357084 1201499472 /nfs/dbraw/zinc/49/94/72/1201499472.db2.gz GQDLKTCCZKSCBG-LBPRGKRZSA-N 1 0 326.368 2.186 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880570711 1201525805 /nfs/dbraw/zinc/52/58/05/1201525805.db2.gz ZUYRMIHTXTWLRT-MRXNPFEDSA-N 1 0 340.387 2.327 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000881468874 1201704819 /nfs/dbraw/zinc/70/48/19/1201704819.db2.gz HBIFWSAXGQXPJN-OAHLLOKOSA-N 1 0 347.415 2.276 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884853308 1202366147 /nfs/dbraw/zinc/36/61/47/1202366147.db2.gz KWMUXCXHTSTSLJ-GFCCVEGCSA-N 1 0 330.392 2.230 20 5 EEBDRO COc1cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000889833850 1204722290 /nfs/dbraw/zinc/72/22/90/1204722290.db2.gz NIRZVSJARWRXMP-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CSc1ccccc1OC[C@H](O)C[N@H+](CC[N+](=O)[O-])C(C)C ZINC000930720820 1206578255 /nfs/dbraw/zinc/57/82/55/1206578255.db2.gz TYUSVJGHHWWEGR-CYBMUJFWSA-N 1 0 328.434 2.135 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000931048881 1206602933 /nfs/dbraw/zinc/60/29/33/1206602933.db2.gz LTMBXOSFSBUBFA-RISCZKNCSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725478 1207450277 /nfs/dbraw/zinc/45/02/77/1207450277.db2.gz WOWJDVJXRBGVQN-MJBXVCDLSA-N 1 0 332.404 2.090 20 5 EEBDRO O=C(NCCCCn1ccnc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778275954 1208043446 /nfs/dbraw/zinc/04/34/46/1208043446.db2.gz QPVAUAZCYMKPOE-UHFFFAOYSA-N 1 0 346.372 2.006 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778275512 1208051693 /nfs/dbraw/zinc/05/16/93/1208051693.db2.gz KAJAKIYVFFQLSS-SECBINFHSA-N 1 0 337.405 2.060 20 5 EEBDRO C[C@H]1[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCN1C ZINC000935211992 1208115789 /nfs/dbraw/zinc/11/57/89/1208115789.db2.gz FIWCKCQTYORFFM-YUMQZZPRSA-N 1 0 344.774 2.134 20 5 EEBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC001114779369 1215271677 /nfs/dbraw/zinc/27/16/77/1215271677.db2.gz GIUMTIFLSFXKHE-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020059533 1229464921 /nfs/dbraw/zinc/46/49/21/1229464921.db2.gz YXBIEUPHFBKQRO-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO Cc1cccc(C)c1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000669829 1240698117 /nfs/dbraw/zinc/69/81/17/1240698117.db2.gz MIDLMXGTXIMWOR-SJLPKXTDSA-N 1 0 343.427 2.217 20 5 EEBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000827105173 1249941096 /nfs/dbraw/zinc/94/10/96/1249941096.db2.gz HOUYKOTVYSHINE-HZMBPMFUSA-N 1 0 341.795 2.006 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC001097095976 1243694815 /nfs/dbraw/zinc/69/48/15/1243694815.db2.gz DQUSBALXZZZRHD-SHTZXODSSA-N 1 0 346.431 2.304 20 5 EEBDRO O=C(C[NH+]1CCCC1)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001057501604 1244013475 /nfs/dbraw/zinc/01/34/75/1244013475.db2.gz LWIOWQNPWFLHPW-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO CCCN(CCNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001101146953 1245449594 /nfs/dbraw/zinc/44/95/94/1245449594.db2.gz BDEGFGIONDARBO-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO Cc1cnc(NCCN(C)C(=O)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001101647153 1246076714 /nfs/dbraw/zinc/07/67/14/1246076714.db2.gz NKOJEJVKMDONKY-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO Cc1cc(OS(=O)(=O)CCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000867124055 1283701077 /nfs/dbraw/zinc/70/10/77/1283701077.db2.gz IOAZFXDFAGVSQL-UHFFFAOYSA-N 1 0 346.380 2.237 20 5 EEBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 ZINC000863655133 1296367894 /nfs/dbraw/zinc/36/78/94/1296367894.db2.gz AHGFYHAMGIUONJ-SECBINFHSA-N 1 0 346.322 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CN4C[C@H]3[NH2+]CC4)cc2)cc1 ZINC001218108854 1297575054 /nfs/dbraw/zinc/57/50/54/1297575054.db2.gz NTMJEMVHVHUENN-QZTJIDSGSA-N 1 0 325.368 2.297 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C1CC2(C[NH2+]C2)C1 ZINC001218856184 1297834282 /nfs/dbraw/zinc/83/42/82/1297834282.db2.gz AKXXNONLCUZDNP-UHFFFAOYSA-N 1 0 333.395 2.303 20 5 EEBDRO C[N+](C)(C)CCCO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001224620747 1300672414 /nfs/dbraw/zinc/67/24/14/1300672414.db2.gz CURXRFBQXSZHQX-ZDUSSCGKSA-N 1 0 326.392 2.426 20 5 EEBDRO CCOC(=O)c1cnc(O[C@H](C)C[N+](C)(C)C)nc1C(F)(F)F ZINC001225858294 1301176085 /nfs/dbraw/zinc/17/60/85/1301176085.db2.gz QVOZJMIXNREKEJ-SECBINFHSA-N 1 0 336.334 2.146 20 5 EEBDRO Cc1cc(OC(F)(F)F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227860400 1301989363 /nfs/dbraw/zinc/98/93/63/1301989363.db2.gz WSSVINMQHXTDTP-LLVKDONJSA-N 1 0 336.330 2.256 20 5 EEBDRO CC(=O)c1cc(C(F)(F)F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227910527 1302004806 /nfs/dbraw/zinc/00/48/06/1302004806.db2.gz WUPFBXZRTUCOBX-GFCCVEGCSA-N 1 0 348.341 2.271 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656371 1302908302 /nfs/dbraw/zinc/90/83/02/1302908302.db2.gz FCJXWBCSZRYXMS-MRVPVSSYSA-N 1 0 348.140 2.282 20 5 EEBDRO Cc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C)cn1 ZINC000781788825 1303863600 /nfs/dbraw/zinc/86/36/00/1303863600.db2.gz LEYMIOVNKQDQFV-INIZCTEOSA-N 1 0 340.339 2.160 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CCC1 ZINC001111828254 1303958081 /nfs/dbraw/zinc/95/80/81/1303958081.db2.gz XZERIGIHWBAZHC-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784724975 1304535163 /nfs/dbraw/zinc/53/51/63/1304535163.db2.gz VTMJRZMDFTZLQB-GHMZBOCLSA-N 1 0 347.824 2.009 20 5 EEBDRO CC[N@@H+]1CCC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234360179 1304898095 /nfs/dbraw/zinc/89/80/95/1304898095.db2.gz NNGDSFZDUAKVNR-HNNXBMFYSA-N 1 0 335.404 2.295 20 5 EEBDRO O=C(NCC1([NH2+]Cc2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530923 1305286343 /nfs/dbraw/zinc/28/63/43/1305286343.db2.gz ZBDMHNLGNVYPHP-HZPDHXFCSA-N 1 0 331.416 2.261 20 5 EEBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001119243500 1309031861 /nfs/dbraw/zinc/03/18/61/1309031861.db2.gz UTKUJFRTQGTHTN-IRXDYDNUSA-N 1 0 347.463 2.421 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246539139 1310335589 /nfs/dbraw/zinc/33/55/89/1310335589.db2.gz AYBHFFJQCTWYOO-MEBBXXQBSA-N 1 0 340.374 2.263 20 5 EEBDRO OC1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]CC1 ZINC001247986069 1310809022 /nfs/dbraw/zinc/80/90/22/1310809022.db2.gz SJFOQGLXKZFQLX-UHFFFAOYSA-N 1 0 347.378 2.404 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001161103778 1320384760 /nfs/dbraw/zinc/38/47/60/1320384760.db2.gz GUMWFHVAUYWLGU-UHFFFAOYSA-N 1 0 328.376 2.165 20 5 EEBDRO C[C@@H]([N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000839612270 1315220421 /nfs/dbraw/zinc/22/04/21/1315220421.db2.gz OUHLVUKNTBSIBK-SECBINFHSA-N 1 0 329.784 2.278 20 5 EEBDRO C[N@@H+]1CC[C@H](C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000839863753 1315256352 /nfs/dbraw/zinc/25/63/52/1315256352.db2.gz KCHHXLLIEOIAGT-QPUJVOFHSA-N 1 0 349.284 2.405 20 5 EEBDRO CCn1ccc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000842802268 1315776699 /nfs/dbraw/zinc/77/66/99/1315776699.db2.gz UJHNZXXOKTZDFM-HNNXBMFYSA-N 1 0 344.371 2.243 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000843223948 1315870094 /nfs/dbraw/zinc/87/00/94/1315870094.db2.gz YWMXTOZNFHUOPC-LLVKDONJSA-N 1 0 332.360 2.119 20 5 EEBDRO CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000843348718 1315895915 /nfs/dbraw/zinc/89/59/15/1315895915.db2.gz NZRGVGYRJSNDFF-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843348802 1315896218 /nfs/dbraw/zinc/89/62/18/1315896218.db2.gz ZIFYQZSTYHOWKY-JQWIXIFHSA-N 1 0 336.348 2.059 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1C ZINC001154585030 1317218114 /nfs/dbraw/zinc/21/81/14/1317218114.db2.gz KYZSBUZNDQBVIU-UHFFFAOYSA-N 1 0 336.417 2.213 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001155117883 1317463699 /nfs/dbraw/zinc/46/36/99/1317463699.db2.gz JBFIFTYLBWBBKN-OAHLLOKOSA-N 1 0 340.355 2.060 20 5 EEBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])ccn4)nc3c2)CC1 ZINC001251714145 1317491766 /nfs/dbraw/zinc/49/17/66/1317491766.db2.gz KBESBKFAUOVZJA-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO Cc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001155523171 1317635753 /nfs/dbraw/zinc/63/57/53/1317635753.db2.gz NKDGQHPQSDAXIZ-SUYBPPKGSA-N 1 0 342.399 2.488 20 5 EEBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001252590643 1317640873 /nfs/dbraw/zinc/64/08/73/1317640873.db2.gz YGNVTFYLWNBTDV-UHFFFAOYSA-N 1 0 338.327 2.318 20 5 EEBDRO Nc1nc(NCc2cccnc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155999620 1317823129 /nfs/dbraw/zinc/82/31/29/1317823129.db2.gz GHGQTFRXJFNHMU-UHFFFAOYSA-N 1 0 328.376 2.046 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001156390433 1317991434 /nfs/dbraw/zinc/99/14/34/1317991434.db2.gz YLGHFCKTANRIBZ-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCN1C(=O)C=CC1=O ZINC001254536339 1318114485 /nfs/dbraw/zinc/11/44/85/1318114485.db2.gz BZNLZWZXWKEHLN-AWEZNQCLSA-N 1 0 345.399 2.211 20 5 EEBDRO CCOC(=O)C1(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001254540028 1318116001 /nfs/dbraw/zinc/11/60/01/1318116001.db2.gz OPXSLQKFZUBGNC-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254547795 1318119263 /nfs/dbraw/zinc/11/92/63/1318119263.db2.gz XDZYJEDNUZPHCB-CFVMTHIKSA-N 1 0 336.388 2.084 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001254570662 1318123963 /nfs/dbraw/zinc/12/39/63/1318123963.db2.gz PHPDYPSCUTWDIK-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO O=C1CCCCCN1CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578141 1318129092 /nfs/dbraw/zinc/12/90/92/1318129092.db2.gz JTRDKHSKBHJXGZ-INIZCTEOSA-N 1 0 331.416 2.444 20 5 EEBDRO CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254593728 1318137220 /nfs/dbraw/zinc/13/72/20/1318137220.db2.gz AXWBTRXUXDSJGZ-IRXDYDNUSA-N 1 0 343.427 2.252 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H](C)CN(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256086633 1318642605 /nfs/dbraw/zinc/64/26/05/1318642605.db2.gz ZVXQVDROOOAAKS-CYBMUJFWSA-N 1 0 336.436 2.112 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087309 1318645385 /nfs/dbraw/zinc/64/53/85/1318645385.db2.gz VZXPDSMLFBKQIU-XFHMXUHZSA-N 1 0 335.404 2.075 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256102008 1318649039 /nfs/dbraw/zinc/64/90/39/1318649039.db2.gz UDZFQUMWOFMUQX-GOSISDBHSA-N 1 0 347.415 2.437 20 5 EEBDRO Cc1cnccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157604924 1318741226 /nfs/dbraw/zinc/74/12/26/1318741226.db2.gz WBZIGMCFKSGFFT-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)cc2C1 ZINC001157987614 1318960667 /nfs/dbraw/zinc/96/06/67/1318960667.db2.gz HIYDHQAEHSVRSW-MRVPVSSYSA-N 1 0 343.721 2.253 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2nnc(-c3cccc(C[NH3+])c3)n2)n1 ZINC001158042444 1318981342 /nfs/dbraw/zinc/98/13/42/1318981342.db2.gz AKLTYZHXKOKZTP-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO Nc1nc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001158166396 1319053955 /nfs/dbraw/zinc/05/39/55/1319053955.db2.gz JIZNJGORCVKHPW-HDJSIYSDSA-N 1 0 342.403 2.244 20 5 EEBDRO Nc1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159630756 1319926314 /nfs/dbraw/zinc/92/63/14/1319926314.db2.gz BCYPDIJSQPNMJO-UHFFFAOYSA-N 1 0 327.388 2.326 20 5 EEBDRO CC[C@@]([NH3+])(CO)Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001159747863 1319978110 /nfs/dbraw/zinc/97/81/10/1319978110.db2.gz IEYFLGURSVJKCL-AWEZNQCLSA-N 1 0 337.767 2.174 20 5 EEBDRO CCOc1nc(N2c3ccccc3OC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160201368 1320097416 /nfs/dbraw/zinc/09/74/16/1320097416.db2.gz TVWQOGSNAXVRIP-LLVKDONJSA-N 1 0 330.344 2.246 20 5 EEBDRO COCCC1([NH3+])CCN(c2nc(C)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001162041249 1320730192 /nfs/dbraw/zinc/73/01/92/1320730192.db2.gz FPHQIKBMCCCXKJ-UHFFFAOYSA-N 1 0 328.800 2.286 20 5 EEBDRO [NH3+]Cc1cccc(-c2cncn2-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001162562605 1320898327 /nfs/dbraw/zinc/89/83/27/1320898327.db2.gz CDPMHVOAOCZJHB-UHFFFAOYSA-N 1 0 345.746 2.193 20 5 EEBDRO COc1nc(SC)nc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162579218 1320903408 /nfs/dbraw/zinc/90/34/08/1320903408.db2.gz IDXRVWODQATRLV-CYBMUJFWSA-N 1 0 345.400 2.009 20 5 EEBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162757855 1320951229 /nfs/dbraw/zinc/95/12/29/1320951229.db2.gz DNCPAKZIMWYXSK-QMMMGPOBSA-N 1 0 333.735 2.240 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203555 1321066243 /nfs/dbraw/zinc/06/62/43/1321066243.db2.gz YOLWOLLBCLMDSY-YMTOWFKASA-N 1 0 327.768 2.108 20 5 EEBDRO CC[N@@H+]1CCCN(c2nc(SC)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001163771445 1321213442 /nfs/dbraw/zinc/21/34/42/1321213442.db2.gz WHNNJVKGZZZZMB-UHFFFAOYSA-N 1 0 331.829 2.292 20 5 EEBDRO Nc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165082025 1321451837 /nfs/dbraw/zinc/45/18/37/1321451837.db2.gz CHYSOKTZJUJWRX-GOEBONIOSA-N 1 0 339.399 2.283 20 5 EEBDRO Cc1nc2c(n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351825 1321507017 /nfs/dbraw/zinc/50/70/17/1321507017.db2.gz KXNUDEABMRNYCK-UHFFFAOYSA-N 1 0 342.186 2.479 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2CF)CC1 ZINC001165428506 1321524279 /nfs/dbraw/zinc/52/42/79/1321524279.db2.gz DITLSEZIADSQOQ-PWSUYJOCSA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1nc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001165672537 1321562778 /nfs/dbraw/zinc/56/27/78/1321562778.db2.gz VVJWDQQTWYHAAV-CYBMUJFWSA-N 1 0 349.435 2.209 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351932959 1321944186 /nfs/dbraw/zinc/94/41/86/1321944186.db2.gz ADASDAILOCSDEQ-AEFFLSMTSA-N 1 0 347.415 2.041 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492491 1322114439 /nfs/dbraw/zinc/11/44/39/1322114439.db2.gz HKODYUGNBOPKDJ-CQSZACIVSA-N 1 0 346.431 2.387 20 5 EEBDRO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC001308016810 1331558393 /nfs/dbraw/zinc/55/83/93/1331558393.db2.gz PVYYOORPZUGHOL-KRWDZBQOSA-N 1 0 349.387 2.163 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ncccn3)CC2)c1 ZINC001308091455 1331563465 /nfs/dbraw/zinc/56/34/65/1331563465.db2.gz TWWDXAILTPYUEW-MRXNPFEDSA-N 1 0 328.372 2.298 20 5 EEBDRO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC001313244984 1331799615 /nfs/dbraw/zinc/79/96/15/1331799615.db2.gz YPTRPSTZDMBODI-XNJGSVPQSA-N 1 0 332.404 2.249 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001318389970 1332522288 /nfs/dbraw/zinc/52/22/88/1332522288.db2.gz KCICEAARTZLWHD-UONOGXRCSA-N 1 0 331.376 2.074 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC001318405550 1332525948 /nfs/dbraw/zinc/52/59/48/1332525948.db2.gz DWWXOHSWNBLVOI-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001319619720 1332729774 /nfs/dbraw/zinc/72/97/74/1332729774.db2.gz MRJHHPOARZAFFC-UHFFFAOYSA-N 1 0 337.376 2.115 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001322366786 1333254498 /nfs/dbraw/zinc/25/44/98/1333254498.db2.gz YNLVPMDPFSWUON-ZBFHGGJFSA-N 1 0 334.420 2.309 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC001327151186 1334235232 /nfs/dbraw/zinc/23/52/32/1334235232.db2.gz PFPRANYTAUCVAG-MLGOLLRUSA-N 1 0 327.388 2.184 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329989671 1334755515 /nfs/dbraw/zinc/75/55/15/1334755515.db2.gz HXNJGPKIZUAUHM-CVEARBPZSA-N 1 0 332.404 2.493 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCCCC[NH+]1CCCC1 ZINC001609599793 1352029823 /nfs/dbraw/zinc/02/98/23/1352029823.db2.gz AOLVIDJPXRJBGK-UHFFFAOYSA-N 1 0 345.407 2.453 20 5 EEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC001333874118 1336158906 /nfs/dbraw/zinc/15/89/06/1336158906.db2.gz QFSDFNZVVMVUJE-SNVBAGLBSA-N 1 0 328.210 2.493 20 5 EEBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001336080774 1336476232 /nfs/dbraw/zinc/47/62/32/1336476232.db2.gz LZARDBIJEKMPJA-NSHDSACASA-N 1 0 327.743 2.211 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C1CCCC1 ZINC001336712658 1336584276 /nfs/dbraw/zinc/58/42/76/1336584276.db2.gz MBOMXYNCZWZSHN-GFCCVEGCSA-N 1 0 332.404 2.147 20 5 EEBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)C[C@@H]1C ZINC001338152360 1336803803 /nfs/dbraw/zinc/80/38/03/1336803803.db2.gz DSUWMYUKUCMLDD-LBPRGKRZSA-N 1 0 344.419 2.229 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001341151524 1337285317 /nfs/dbraw/zinc/28/53/17/1337285317.db2.gz YZYASVBTLBBICW-JTQLQIEISA-N 1 0 329.809 2.073 20 5 EEBDRO Cc1cc(N(C)CCNC(=O)C[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001100346784 1338289983 /nfs/dbraw/zinc/28/99/83/1338289983.db2.gz FVZLJAHXOZXMRJ-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100606978 1338541611 /nfs/dbraw/zinc/54/16/11/1338541611.db2.gz FREWDHRBVKMJOI-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352535 1338691133 /nfs/dbraw/zinc/69/11/33/1338691133.db2.gz QIYWJVDFORJHDO-ZIAGYGMSSA-N 1 0 336.367 2.063 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001575530851 1343819796 /nfs/dbraw/zinc/81/97/96/1343819796.db2.gz ILFBRLXKSWOHKL-QGZVFWFLSA-N 1 0 345.403 2.274 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001579241863 1344357780 /nfs/dbraw/zinc/35/77/80/1344357780.db2.gz IDXTYXFAFPJTIB-GOSISDBHSA-N 1 0 341.367 2.473 20 5 EEBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001603223400 1350665441 /nfs/dbraw/zinc/66/54/41/1350665441.db2.gz LWOAJNVJZVESDT-HNNXBMFYSA-N 1 0 345.407 2.307 20 5 EEBDRO CCC(CC)[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604027431 1350833400 /nfs/dbraw/zinc/83/34/00/1350833400.db2.gz FAHSNYJWJNUFPL-UHFFFAOYSA-N 1 0 333.396 2.273 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001607084790 1351411811 /nfs/dbraw/zinc/41/18/11/1351411811.db2.gz YSNTXJWWGQJCCI-UHFFFAOYSA-N 1 0 349.314 2.099 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001607084781 1351411940 /nfs/dbraw/zinc/41/19/40/1351411940.db2.gz YEKLNLJQPAPBPY-LBPRGKRZSA-N 1 0 343.391 2.204 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823925475 1368095950 /nfs/dbraw/zinc/09/59/50/1368095950.db2.gz XZLBOXVNZIOCJY-QGZVFWFLSA-N 1 0 343.383 2.006 20 5 EEBDRO CO[C@@]1(C)CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000794653682 1369595980 /nfs/dbraw/zinc/59/59/80/1369595980.db2.gz DXAJCOIVDIMGFF-KRWDZBQOSA-N 1 0 348.403 2.295 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N1CCCC1 ZINC000798936299 1371621209 /nfs/dbraw/zinc/62/12/09/1371621209.db2.gz COAGEGFQRGAXAD-AWEZNQCLSA-N 1 0 346.431 2.164 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ncccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001753091769 1406678708 /nfs/dbraw/zinc/67/87/08/1406678708.db2.gz JGPQYXQOTYFCMN-UHFFFAOYSA-N 1 0 346.362 2.381 20 5 EEBDRO C[C@@H](NC(=O)c1coc([C@@H]2CCC[NH2+]2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001579415012 1403782396 /nfs/dbraw/zinc/78/23/96/1403782396.db2.gz VXPWNBHUECNSQG-MFKMUULPSA-N 1 0 330.344 2.498 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001580265499 1403855892 /nfs/dbraw/zinc/85/58/92/1403855892.db2.gz KVJJOWPUGUGODF-GFCCVEGCSA-N 1 0 326.356 2.270 20 5 EEBDRO CCN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001100729514 1410703556 /nfs/dbraw/zinc/70/35/56/1410703556.db2.gz WPHHGPIAQOMVDM-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO COc1cc2ncnc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164642508 719201721 /nfs/dbraw/zinc/20/17/21/719201721.db2.gz WAZMNJJEVHNCSB-QWRGUYRKSA-N 1 0 331.376 2.075 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164726729 720516895 /nfs/dbraw/zinc/51/68/95/720516895.db2.gz DFGRMLUJOAXICL-AWEZNQCLSA-N 1 0 344.419 2.001 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000846648240 790308192 /nfs/dbraw/zinc/30/81/92/790308192.db2.gz UQVJOEHDTWTUSP-UHFFFAOYSA-N 1 0 339.417 2.462 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001167316221 757923454 /nfs/dbraw/zinc/92/34/54/757923454.db2.gz KQNXKLFMLUFTJA-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001091379617 790509949 /nfs/dbraw/zinc/50/99/49/790509949.db2.gz UWILPRJFQLULKW-OTVXOJSOSA-N 1 0 346.431 2.386 20 5 EEBDRO COC(=O)c1cc(Br)cnc1O[C@@H](C)C[N+](C)(C)C ZINC001226178118 781375012 /nfs/dbraw/zinc/37/50/12/781375012.db2.gz DLDOOKHYMZPLPA-VIFPVBQESA-N 1 0 332.218 2.104 20 5 EEBDRO CCCn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001135711163 784281121 /nfs/dbraw/zinc/28/11/21/784281121.db2.gz FNHBFMNAGQVUMV-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001107379654 787069636 /nfs/dbraw/zinc/06/96/36/787069636.db2.gz MTAYXBMSGGEUTI-SNAWJCMRSA-N 1 0 346.431 2.472 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001107471777 787333727 /nfs/dbraw/zinc/33/37/27/787333727.db2.gz WTOASQZDKRGPJK-PLNGDYQASA-N 1 0 346.431 2.329 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)n1C ZINC000823094921 787540948 /nfs/dbraw/zinc/54/09/48/787540948.db2.gz VCZSXKWXSASZII-ZYANWLCNSA-N 1 0 346.391 2.308 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003010 787996262 /nfs/dbraw/zinc/99/62/62/787996262.db2.gz LHWPEFIQFRMKHE-RYUDHWBXSA-N 1 0 335.408 2.419 20 5 EEBDRO [NH3+]CCCCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000843513167 788669911 /nfs/dbraw/zinc/66/99/11/788669911.db2.gz VORXGPICCIEXIC-UHFFFAOYSA-N 1 0 348.447 2.447 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000844642513 789287278 /nfs/dbraw/zinc/28/72/78/789287278.db2.gz JIMKULUPNMMKCA-AEJSXWLSSA-N 1 0 327.331 2.426 20 5 EEBDRO C[NH+](C)CCOc1cc(N[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001168562438 790005012 /nfs/dbraw/zinc/00/50/12/790005012.db2.gz NMNWLTKBPGZSAV-HNNXBMFYSA-N 1 0 325.409 2.354 20 5 EEBDRO CC(C)(C)c1n[nH]cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147328078 791786085 /nfs/dbraw/zinc/78/60/85/791786085.db2.gz NKVCTZWGUGZCHN-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO COc1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001148890325 792759583 /nfs/dbraw/zinc/75/95/83/792759583.db2.gz HBFOFFGNPAQLIN-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@@]2(C)CCC[NH2+]C2)n1 ZINC001156955566 806242503 /nfs/dbraw/zinc/24/25/03/806242503.db2.gz IOAQECKJNGTUTR-LBPRGKRZSA-N 1 0 331.829 2.338 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc([N+](=O)[O-])c2nccn2c1 ZINC001171394741 794567283 /nfs/dbraw/zinc/56/72/83/794567283.db2.gz UWQDQMLIHRYLLS-LBPRGKRZSA-N 1 0 325.328 2.100 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])c1 ZINC001171395645 794619432 /nfs/dbraw/zinc/61/94/32/794619432.db2.gz GOKCCNIBEWXDJC-LBPRGKRZSA-N 1 0 343.339 2.239 20 5 EEBDRO CCC1([NH3+])CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000714752774 795059247 /nfs/dbraw/zinc/05/92/47/795059247.db2.gz ZLGWHCIHJKDKJG-UHFFFAOYSA-N 1 0 329.198 2.460 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001112360259 795343094 /nfs/dbraw/zinc/34/30/94/795343094.db2.gz KQLJOYPXVQEXQM-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccc(NCCNC(=O)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001093874407 795754184 /nfs/dbraw/zinc/75/41/84/795754184.db2.gz WPPFNTLEHJAEQS-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCC[NH+]2CCCC2)n1 ZINC001094455580 796265011 /nfs/dbraw/zinc/26/50/11/796265011.db2.gz XMGYJIDVLVYPGA-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000915621871 796341846 /nfs/dbraw/zinc/34/18/46/796341846.db2.gz NVIYHGSEWVYAHJ-OAHLLOKOSA-N 1 0 347.415 2.276 20 5 EEBDRO O=C1NCC[C@@]12CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172905758 797132121 /nfs/dbraw/zinc/13/21/21/797132121.db2.gz UCTWQHDQTHLAFI-QAPCUYQASA-N 1 0 329.400 2.054 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1F ZINC001173180872 797278741 /nfs/dbraw/zinc/27/87/41/797278741.db2.gz YQSOIDANSDAYIO-NEPJUHHUSA-N 1 0 325.384 2.357 20 5 EEBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194335 797282897 /nfs/dbraw/zinc/28/28/97/797282897.db2.gz SQWVSNRVLDEKIP-AGIUHOORSA-N 1 0 337.395 2.452 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001095233745 797565736 /nfs/dbraw/zinc/56/57/36/797565736.db2.gz OUCDHELZGPDTOQ-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001106873791 797632509 /nfs/dbraw/zinc/63/25/09/797632509.db2.gz BXJNVUGJSVUAHS-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1nn(CN2CCN(C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000917462340 798226168 /nfs/dbraw/zinc/22/61/68/798226168.db2.gz DSXJRHUKMDSIQP-INIZCTEOSA-N 1 0 329.404 2.354 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001086012658 801930179 /nfs/dbraw/zinc/93/01/79/801930179.db2.gz IUKZLQHKFHKJOS-VDISTLRHSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)on1 ZINC001086024092 801963745 /nfs/dbraw/zinc/96/37/45/801963745.db2.gz CCDAMSYYKJUZNF-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](F)(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168962381 803551164 /nfs/dbraw/zinc/55/11/64/803551164.db2.gz MDNNIWZIFLWHPS-IOASZLSFSA-N 1 0 345.415 2.371 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC001168966510 803552862 /nfs/dbraw/zinc/55/28/62/803552862.db2.gz IVPXKAIBPVNBBM-HZPDHXFCSA-N 1 0 325.453 2.057 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ncccc3F)CCOCC2)C1 ZINC001169000359 803566001 /nfs/dbraw/zinc/56/60/01/803566001.db2.gz XRMXOSCARYWLDK-ZIAGYGMSSA-N 1 0 337.395 2.304 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001490 803566503 /nfs/dbraw/zinc/56/65/03/803566503.db2.gz GLLXLWPUEGUONA-XJFOESAGSA-N 1 0 345.415 2.369 20 5 EEBDRO COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169007233 803568514 /nfs/dbraw/zinc/56/85/14/803568514.db2.gz LZKKPCHJQYVHPJ-USXIJHARSA-N 1 0 336.432 2.366 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009692 803570393 /nfs/dbraw/zinc/57/03/93/803570393.db2.gz XHAVJBAEMKLTFD-MELADBBJSA-N 1 0 327.425 2.421 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169011794 803571405 /nfs/dbraw/zinc/57/14/05/803571405.db2.gz MHYJJSHQWYHBTE-RDBSUJKOSA-N 1 0 327.425 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Br)nc2)C1 ZINC001168990175 803573770 /nfs/dbraw/zinc/57/37/70/803573770.db2.gz YAHINDDLGXPKOI-NEPJUHHUSA-N 1 0 328.210 2.422 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990910 803574547 /nfs/dbraw/zinc/57/45/47/803574547.db2.gz FHRFLJKWTOMJFD-WQVCFCJDSA-N 1 0 335.379 2.075 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169040082 803583193 /nfs/dbraw/zinc/58/31/93/803583193.db2.gz XRZIZRRPZATVHZ-MQYQWHSLSA-N 1 0 327.425 2.277 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2c(C)cnc2C[NH3+])n1 ZINC001169021101 803588758 /nfs/dbraw/zinc/58/87/58/803588758.db2.gz XQZZNBXEFBBDIO-UHFFFAOYSA-N 1 0 342.812 2.493 20 5 EEBDRO O=C1Cc2ccccc2N1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169026548 803592344 /nfs/dbraw/zinc/59/23/44/803592344.db2.gz MHPZCHLSNSTDFU-RHSMWYFYSA-N 1 0 343.427 2.486 20 5 EEBDRO COc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169050617 803595442 /nfs/dbraw/zinc/59/54/42/803595442.db2.gz BYRBVNDDNZMDKD-IIAWOOMASA-N 1 0 335.404 2.379 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054382 803596506 /nfs/dbraw/zinc/59/65/06/803596506.db2.gz LPVMQKUDXSRIMZ-RAIGVLPGSA-N 1 0 343.225 2.338 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1NCCOc1ccc3c(c1)OCO3)C[NH2+]C2 ZINC001169930307 804215933 /nfs/dbraw/zinc/21/59/33/804215933.db2.gz HCMSFEGDQQFDSS-UHFFFAOYSA-N 1 0 343.339 2.418 20 5 EEBDRO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437686 807513325 /nfs/dbraw/zinc/51/33/25/807513325.db2.gz SNTNNONAXJABBA-NSCUQIJASA-N 1 0 342.465 2.412 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)O1 ZINC001170276177 809861390 /nfs/dbraw/zinc/86/13/90/809861390.db2.gz BMKMHNRAPSXGPJ-ZACQAIPSSA-N 1 0 346.387 2.280 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313684 809886328 /nfs/dbraw/zinc/88/63/28/809886328.db2.gz PSDRJGUYPRRGBX-GLQYFDAESA-N 1 0 336.388 2.466 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnn2CCF)c([N+](=O)[O-])c1 ZINC001170322858 809890219 /nfs/dbraw/zinc/89/02/19/809890219.db2.gz HQBHUICSHRFBGY-GFCCVEGCSA-N 1 0 336.367 2.490 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170354381 809903099 /nfs/dbraw/zinc/90/30/99/809903099.db2.gz KEUFPOIXEQSFLE-ZDUSSCGKSA-N 1 0 347.415 2.279 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnc(C2CC2)c1 ZINC001130877567 812141921 /nfs/dbraw/zinc/14/19/21/812141921.db2.gz XEHVUYBAQWXPSU-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO COc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1C ZINC001131037374 812314295 /nfs/dbraw/zinc/31/42/95/812314295.db2.gz RKNCJSLTWHZKCJ-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808190381 812505985 /nfs/dbraw/zinc/50/59/85/812505985.db2.gz GIVQGNLVKOEHFM-CJNGLKHVSA-N 1 0 329.404 2.461 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181932143 529395287 /nfs/dbraw/zinc/39/52/87/529395287.db2.gz FGANQTISTCPMGQ-QWHCGFSZSA-N 1 0 326.418 2.162 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CO)C(C)(C)C ZINC000181771947 529871503 /nfs/dbraw/zinc/87/15/03/529871503.db2.gz NWEACXWJGJBADQ-CQSZACIVSA-N 1 0 341.383 2.401 20 5 EEBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174881673 529939638 /nfs/dbraw/zinc/93/96/38/529939638.db2.gz RTHLZPDLZRGPOK-KRWDZBQOSA-N 1 0 343.431 2.245 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000177474540 231905517 /nfs/dbraw/zinc/90/55/17/231905517.db2.gz ABFUMECSIZVIJO-KGLIPLIRSA-N 1 0 334.420 2.386 20 5 EEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCC[C@@H]1O ZINC000181430358 529980491 /nfs/dbraw/zinc/98/04/91/529980491.db2.gz SBTXIIIRZABJKC-LRDDRELGSA-N 1 0 336.388 2.444 20 5 EEBDRO C[NH+]1CCN(C[C@@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000065479806 214928316 /nfs/dbraw/zinc/92/83/16/214928316.db2.gz OUVUKIZTOGDLJU-MRXNPFEDSA-N 1 0 341.415 2.390 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358265107 290575431 /nfs/dbraw/zinc/57/54/31/290575431.db2.gz JCFALFVJFLCKGE-OWCLPIDISA-N 1 0 331.416 2.420 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000190333163 238395865 /nfs/dbraw/zinc/39/58/65/238395865.db2.gz NZKYPFBCDJEXHE-UHFFFAOYSA-N 1 0 348.447 2.500 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000420468534 239830050 /nfs/dbraw/zinc/83/00/50/239830050.db2.gz OFGNBCMOJNFCQX-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636670 240168329 /nfs/dbraw/zinc/16/83/29/240168329.db2.gz NJSYPBYNYQYXJA-RDBSUJKOSA-N 1 0 334.420 2.147 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000427930520 241498890 /nfs/dbraw/zinc/49/88/90/241498890.db2.gz JUKXRHVXYXFKEV-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000429768955 241815595 /nfs/dbraw/zinc/81/55/95/241815595.db2.gz BWKXDKZVBQKMPX-KGLIPLIRSA-N 1 0 334.420 2.421 20 5 EEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000226672061 242105891 /nfs/dbraw/zinc/10/58/91/242105891.db2.gz YFMZUQWCTUSOLK-MBNYWOFBSA-N 1 0 326.418 2.160 20 5 EEBDRO C[C@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803875 242317047 /nfs/dbraw/zinc/31/70/47/242317047.db2.gz CGYJVQSENZEGOF-HOCLYGCPSA-N 1 0 348.447 2.322 20 5 EEBDRO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)O ZINC000451348827 243085398 /nfs/dbraw/zinc/08/53/98/243085398.db2.gz XKMGSGZYSUFIPK-HNNXBMFYSA-N 1 0 346.387 2.306 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418789 243108111 /nfs/dbraw/zinc/10/81/11/243108111.db2.gz NBIGSGRACXRZHK-OIISXLGYSA-N 1 0 347.415 2.467 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552210 243156940 /nfs/dbraw/zinc/15/69/40/243156940.db2.gz YKPULHQATLZVTB-IIAWOOMASA-N 1 0 338.404 2.081 20 5 EEBDRO CCO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000451536768 243148624 /nfs/dbraw/zinc/14/86/24/243148624.db2.gz IABHAAXUZICKDP-IAOVAPTHSA-N 1 0 347.415 2.447 20 5 EEBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451600816 243174069 /nfs/dbraw/zinc/17/40/69/243174069.db2.gz SWDQUYJYFHEAHV-SUMWQHHRSA-N 1 0 337.420 2.412 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457025914 244419669 /nfs/dbraw/zinc/41/96/69/244419669.db2.gz HPURXQPBNHGMGG-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747574 245234519 /nfs/dbraw/zinc/23/45/19/245234519.db2.gz GGHNCOAATVIMLC-CABCVRRESA-N 1 0 333.388 2.105 20 5 EEBDRO CC[C@]1(O)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214790 247088080 /nfs/dbraw/zinc/08/80/80/247088080.db2.gz XNQKRJVLHLDONO-BMIGLBTASA-N 1 0 341.795 2.422 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000095415879 218354057 /nfs/dbraw/zinc/35/40/57/218354057.db2.gz IGEUTQAHWDOUSD-ZDUSSCGKSA-N 1 0 330.388 2.300 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267476674 256062597 /nfs/dbraw/zinc/06/25/97/256062597.db2.gz GMMGIAHQJNYLHN-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000270408854 256132687 /nfs/dbraw/zinc/13/26/87/256132687.db2.gz DLYXGTJSRPOBEL-ZFWWWQNUSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000273096900 256264860 /nfs/dbraw/zinc/26/48/60/256264860.db2.gz UUBOUAOSPIPOPW-IAGOWNOFSA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273565927 256307372 /nfs/dbraw/zinc/30/73/72/256307372.db2.gz CNERUGZQECEHTG-AWEZNQCLSA-N 1 0 327.388 2.486 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970144 256342186 /nfs/dbraw/zinc/34/21/86/256342186.db2.gz HIQFIFOHLREZCJ-WOPDTQHZSA-N 1 0 337.376 2.099 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274076287 256352194 /nfs/dbraw/zinc/35/21/94/256352194.db2.gz RXHXYUVEXOREFE-NWDGAFQWSA-N 1 0 337.376 2.101 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276416765 256430131 /nfs/dbraw/zinc/43/01/31/256430131.db2.gz BYWPKJICQRKIRJ-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1C ZINC000319772975 160535314 /nfs/dbraw/zinc/53/53/14/160535314.db2.gz ZELUMOWGOFMEBA-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083415958 159163833 /nfs/dbraw/zinc/16/38/33/159163833.db2.gz USBYQFUZXDKUNZ-CYBMUJFWSA-N 1 0 326.418 2.162 20 5 EEBDRO CCN(CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186796146 160083678 /nfs/dbraw/zinc/08/36/78/160083678.db2.gz VHTIBRPTXYSSOH-UHFFFAOYSA-N 1 0 344.371 2.342 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CCCOC)CC1 ZINC000192558811 160172190 /nfs/dbraw/zinc/17/21/90/160172190.db2.gz DWDYWSVOHSYVLY-UHFFFAOYSA-N 1 0 325.413 2.032 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000247316038 160319703 /nfs/dbraw/zinc/31/97/03/160319703.db2.gz RSGNAHQXVGSABT-KBPBESRZSA-N 1 0 333.388 2.160 20 5 EEBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000337435148 160648542 /nfs/dbraw/zinc/64/85/42/160648542.db2.gz WKQDSMIFSIFVRQ-HOTGVXAUSA-N 1 0 336.367 2.278 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000341966052 161027827 /nfs/dbraw/zinc/02/78/27/161027827.db2.gz XXKXRIIGZGNAEI-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CNCCn3cncn3)cs2)c1 ZINC000343757018 161165130 /nfs/dbraw/zinc/16/51/30/161165130.db2.gz BNPZGDDGQFSIMD-UHFFFAOYSA-N 1 0 330.373 2.100 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000344750425 161242974 /nfs/dbraw/zinc/24/29/74/161242974.db2.gz VHQZPHJMDXNUFA-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000344900728 161254967 /nfs/dbraw/zinc/25/49/67/161254967.db2.gz YSZCMHNWUURHOW-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000345852250 161337511 /nfs/dbraw/zinc/33/75/11/161337511.db2.gz ANTWRKMSBGWCFI-GFCCVEGCSA-N 1 0 337.424 2.265 20 5 EEBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000352141512 162082856 /nfs/dbraw/zinc/08/28/56/162082856.db2.gz RJDFQIJCWJWZRT-AWEZNQCLSA-N 1 0 328.372 2.175 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352503678 162161160 /nfs/dbraw/zinc/16/11/60/162161160.db2.gz IVVJZGQDUUUQNS-CYBMUJFWSA-N 1 0 331.376 2.348 20 5 EEBDRO CCC[C@]1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCOC1 ZINC000352839243 162306897 /nfs/dbraw/zinc/30/68/97/162306897.db2.gz OHMGAAURHFICHM-KRWDZBQOSA-N 1 0 349.387 2.442 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357065945 163614801 /nfs/dbraw/zinc/61/48/01/163614801.db2.gz ATXDBWSRWFFSJF-UKRRQHHQSA-N 1 0 346.431 2.243 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000360242764 164265956 /nfs/dbraw/zinc/26/59/56/164265956.db2.gz RDKWVFZAKUIYPK-UHFFFAOYSA-N 1 0 336.373 2.165 20 5 EEBDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256016 164269190 /nfs/dbraw/zinc/26/91/90/164269190.db2.gz XERHTMUGOLZSEZ-ZIAGYGMSSA-N 1 0 335.404 2.328 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000360613831 164350776 /nfs/dbraw/zinc/35/07/76/164350776.db2.gz VPJWVZVIVCRWAJ-ZBFHGGJFSA-N 1 0 336.436 2.445 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000362466453 164686856 /nfs/dbraw/zinc/68/68/56/164686856.db2.gz OLOMJAXHEINZQQ-KRWDZBQOSA-N 1 0 343.383 2.300 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000369771332 166328707 /nfs/dbraw/zinc/32/87/07/166328707.db2.gz GTDJBPLBLDHERA-DLBZAZTESA-N 1 0 340.383 2.126 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000369785349 166330250 /nfs/dbraw/zinc/33/02/50/166330250.db2.gz XCTGLMZJZSRMRR-CYBMUJFWSA-N 1 0 348.403 2.312 20 5 EEBDRO O=C(CC[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375202915 167086913 /nfs/dbraw/zinc/08/69/13/167086913.db2.gz SQHQHHCORUDIJU-UHFFFAOYSA-N 1 0 333.388 2.426 20 5 EEBDRO COCCCOC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122778287 222157046 /nfs/dbraw/zinc/15/70/46/222157046.db2.gz RQAXIZIITQXSSD-UHFFFAOYSA-N 1 0 338.404 2.491 20 5 EEBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000271641359 268845667 /nfs/dbraw/zinc/84/56/67/268845667.db2.gz HICVOLSGWFKLSI-ZDUSSCGKSA-N 1 0 331.372 2.424 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272670519 269006897 /nfs/dbraw/zinc/00/68/97/269006897.db2.gz SZJYTISOTHQRMD-YOEHRIQHSA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000277687193 269172263 /nfs/dbraw/zinc/17/22/63/269172263.db2.gz VLLNVMXBJYSPRA-BBRMVZONSA-N 1 0 346.431 2.313 20 5 EEBDRO COc1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277730702 269176117 /nfs/dbraw/zinc/17/61/17/269176117.db2.gz JPNZHSCHBVOQBS-AWEZNQCLSA-N 1 0 337.420 2.194 20 5 EEBDRO CNC(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277938385 269199369 /nfs/dbraw/zinc/19/93/69/269199369.db2.gz RJGQOGSUPXZQHE-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278349016 269224667 /nfs/dbraw/zinc/22/46/67/269224667.db2.gz CXTILJQOBQFZPO-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279361749 269274025 /nfs/dbraw/zinc/27/40/25/269274025.db2.gz GECWEKVSGOFBLA-LLVKDONJSA-N 1 0 338.383 2.310 20 5 EEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359034088 273489699 /nfs/dbraw/zinc/48/96/99/273489699.db2.gz XOOQREIHCLWJKR-BZUAXINKSA-N 1 0 349.435 2.123 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277272939 274279505 /nfs/dbraw/zinc/27/95/05/274279505.db2.gz SBUHZXDOCKVNGU-ZDUSSCGKSA-N 1 0 336.392 2.217 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126103 274435440 /nfs/dbraw/zinc/43/54/40/274435440.db2.gz QQAZKPGKPQXYNE-HZPDHXFCSA-N 1 0 330.388 2.374 20 5 EEBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000342471411 274591570 /nfs/dbraw/zinc/59/15/70/274591570.db2.gz JCZCQFASHVOABE-ZFWWWQNUSA-N 1 0 336.411 2.196 20 5 EEBDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285302539 274709354 /nfs/dbraw/zinc/70/93/54/274709354.db2.gz SCVWJWMWANCVAP-LLVKDONJSA-N 1 0 329.422 2.043 20 5 EEBDRO CNC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286461716 274874464 /nfs/dbraw/zinc/87/44/64/274874464.db2.gz VADXQWZCQCWJFT-JSGCOSHPSA-N 1 0 332.404 2.017 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286494810 274877900 /nfs/dbraw/zinc/87/79/00/274877900.db2.gz RQKZXPRTOTYGAJ-TZMCWYRMSA-N 1 0 348.403 2.230 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886448 274969935 /nfs/dbraw/zinc/96/99/35/274969935.db2.gz LRCAPDLJXZEFLV-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000304337435 275042105 /nfs/dbraw/zinc/04/21/05/275042105.db2.gz XHKNKNPGQGYICI-AEFFLSMTSA-N 1 0 344.415 2.422 20 5 EEBDRO C[NH+](C)CCCOc1cnccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000288353556 275049774 /nfs/dbraw/zinc/04/97/74/275049774.db2.gz XCMXYEYNJMMHOS-UHFFFAOYSA-N 1 0 331.376 2.327 20 5 EEBDRO CC(C)[C@](C)([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000289303949 275108494 /nfs/dbraw/zinc/10/84/94/275108494.db2.gz IOMYLBMURLVMIN-ZDUSSCGKSA-N 1 0 344.209 2.347 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000290469151 275210187 /nfs/dbraw/zinc/21/01/87/275210187.db2.gz CYWTXBNTKWZCBX-LLVKDONJSA-N 1 0 333.392 2.321 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342413238 276053826 /nfs/dbraw/zinc/05/38/26/276053826.db2.gz AXWXSXMKFAGJRL-RISCZKNCSA-N 1 0 326.418 2.241 20 5 EEBDRO CS[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1[NH+](C)C ZINC000347425415 278158213 /nfs/dbraw/zinc/15/82/13/278158213.db2.gz DKUKZYGVMBZDHD-CHWSQXEVSA-N 1 0 333.417 2.020 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194532660 288310497 /nfs/dbraw/zinc/31/04/97/288310497.db2.gz QUWICSMAZFSXCI-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000348831740 289519179 /nfs/dbraw/zinc/51/91/79/289519179.db2.gz IQTFLSCNVJTDIT-MRVPVSSYSA-N 1 0 332.307 2.268 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913018 293076461 /nfs/dbraw/zinc/07/64/61/293076461.db2.gz LAAKNPFPQGVCDU-CMPLNLGQSA-N 1 0 336.310 2.494 20 5 EEBDRO O=C(CC[NH+]1CCC2(CC1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000293160046 293139954 /nfs/dbraw/zinc/13/99/54/293139954.db2.gz VNUCZCJTJBOYBQ-UHFFFAOYSA-N 1 0 349.387 2.152 20 5 EEBDRO Cc1nc(NCCc2ccc(OCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000297304451 294207210 /nfs/dbraw/zinc/20/72/10/294207210.db2.gz YTIOQIBXDRESPJ-UHFFFAOYSA-N 1 0 345.403 2.288 20 5 EEBDRO Cc1nn(C)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000299065868 294650391 /nfs/dbraw/zinc/65/03/91/294650391.db2.gz USPODVAIGJMUMY-UHFFFAOYSA-N 1 0 337.424 2.021 20 5 EEBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000124709582 297103324 /nfs/dbraw/zinc/10/33/24/297103324.db2.gz BEDXHCSBPSDXRF-UONOGXRCSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000420643107 300294637 /nfs/dbraw/zinc/29/46/37/300294637.db2.gz VRAFEAHZZDILRR-GFCCVEGCSA-N 1 0 332.404 2.004 20 5 EEBDRO COCC[NH+](CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158183523 311325619 /nfs/dbraw/zinc/32/56/19/311325619.db2.gz QHBSUAIFITXZNU-UHFFFAOYSA-N 1 0 348.403 2.090 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332184948 311964761 /nfs/dbraw/zinc/96/47/61/311964761.db2.gz NZJPQZUCHSNIPN-LSDHHAIUSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332381762 311998584 /nfs/dbraw/zinc/99/85/84/311998584.db2.gz HGKMCGJISDSAFY-DLBZAZTESA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1c(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332424000 312005188 /nfs/dbraw/zinc/00/51/88/312005188.db2.gz AXLFDFGPRGFFEB-HNNXBMFYSA-N 1 0 332.404 2.283 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997832 313682865 /nfs/dbraw/zinc/68/28/65/313682865.db2.gz ULTANRUCWIFXRH-ZDUSSCGKSA-N 1 0 340.811 2.184 20 5 EEBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1 ZINC000425274644 314370814 /nfs/dbraw/zinc/37/08/14/314370814.db2.gz LNNRZJKNVYUYBP-GOEBONIOSA-N 1 0 325.372 2.096 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000430200592 314503821 /nfs/dbraw/zinc/50/38/21/314503821.db2.gz ANTHPYHEJVAABO-GFCCVEGCSA-N 1 0 335.404 2.340 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)ccnc21 ZINC000432325519 314694441 /nfs/dbraw/zinc/69/44/41/314694441.db2.gz LEYHBDCMNSOCJH-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO Cc1cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000440415057 315129898 /nfs/dbraw/zinc/12/98/98/315129898.db2.gz KRZKUJCFPOBIHP-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255356 315177008 /nfs/dbraw/zinc/17/70/08/315177008.db2.gz KQRJWERUICDCIM-DQYPLSBCSA-N 1 0 337.395 2.417 20 5 EEBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121282 315274674 /nfs/dbraw/zinc/27/46/74/315274674.db2.gz HNZHJJQIUUXWCW-MAUKXSAKSA-N 1 0 347.415 2.012 20 5 EEBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C12CCC[NH+]1CCC2 ZINC000519574181 316790656 /nfs/dbraw/zinc/79/06/56/316790656.db2.gz WQWBXABTWFTROH-UHFFFAOYSA-N 1 0 342.399 2.363 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525215951 317047061 /nfs/dbraw/zinc/04/70/61/317047061.db2.gz GSTSDOOFDXOUQV-LBPRGKRZSA-N 1 0 349.387 2.127 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000527308064 317182040 /nfs/dbraw/zinc/18/20/40/317182040.db2.gz RRJKALKWUSNNFT-UHFFFAOYSA-N 1 0 337.420 2.336 20 5 EEBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCC1 ZINC000535514711 317971474 /nfs/dbraw/zinc/97/14/74/317971474.db2.gz VEANADURFPTIDZ-LBPRGKRZSA-N 1 0 330.388 2.219 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000549824745 318442433 /nfs/dbraw/zinc/44/24/33/318442433.db2.gz LQQSJSZTWKLYGX-GFCCVEGCSA-N 1 0 337.767 2.004 20 5 EEBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000563955796 319058984 /nfs/dbraw/zinc/05/89/84/319058984.db2.gz ZRWBANZQXQIRRE-NSHDSACASA-N 1 0 337.763 2.161 20 5 EEBDRO [NH3+][C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000580063233 323985117 /nfs/dbraw/zinc/98/51/17/323985117.db2.gz RNVYBMXRFJNIKC-INIZCTEOSA-N 1 0 327.384 2.214 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000581860361 324329259 /nfs/dbraw/zinc/32/92/59/324329259.db2.gz NYACYHKPZKOGMP-OLZOCXBDSA-N 1 0 346.330 2.454 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000296073544 465072771 /nfs/dbraw/zinc/07/27/71/465072771.db2.gz GQPRKUHYIPXUKD-VUCTXSBTSA-N 1 0 345.399 2.471 20 5 EEBDRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000341272359 465086304 /nfs/dbraw/zinc/08/63/04/465086304.db2.gz XUDGHUHJSUHWCP-QWRGUYRKSA-N 1 0 343.811 2.329 20 5 EEBDRO O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000578979826 468289216 /nfs/dbraw/zinc/28/92/16/468289216.db2.gz NHBOKWWVAJRVTB-LJQANCHMSA-N 1 0 337.379 2.415 20 5 EEBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)[NH+]1C ZINC000339621950 465395979 /nfs/dbraw/zinc/39/59/79/465395979.db2.gz VRFFXABEEXPNNK-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000060950626 462570801 /nfs/dbraw/zinc/57/08/01/462570801.db2.gz RIJBQBHMMLOYOA-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000074322230 462587070 /nfs/dbraw/zinc/58/70/70/462587070.db2.gz CVAKEEPBTAIAPY-HNNXBMFYSA-N 1 0 347.415 2.164 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000114244450 462634127 /nfs/dbraw/zinc/63/41/27/462634127.db2.gz OHJWGKFSQFJHEO-CYBMUJFWSA-N 1 0 335.404 2.484 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCOC2=O)cc1 ZINC000090538417 462796662 /nfs/dbraw/zinc/79/66/62/462796662.db2.gz FVCHGTHCCLZWBH-LBPRGKRZSA-N 1 0 345.359 2.099 20 5 EEBDRO CC[C@H](CSC)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000091098634 462836562 /nfs/dbraw/zinc/83/65/62/462836562.db2.gz CFRQKBQMERMOFQ-OCCSQVGLSA-N 1 0 328.434 2.408 20 5 EEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000120330968 462987394 /nfs/dbraw/zinc/98/73/94/462987394.db2.gz ZWVBRKCEIBUDNP-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000120851329 463046425 /nfs/dbraw/zinc/04/64/25/463046425.db2.gz UAVKTJCVKXBGMN-UHFFFAOYSA-N 1 0 337.376 2.102 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000120890824 463051180 /nfs/dbraw/zinc/05/11/80/463051180.db2.gz QHMNFCCQSRCVCB-ZFWWWQNUSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084453 463089567 /nfs/dbraw/zinc/08/95/67/463089567.db2.gz HEVFPKVBUFBUIW-NEPJUHHUSA-N 1 0 345.403 2.321 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121732984 463185990 /nfs/dbraw/zinc/18/59/90/463185990.db2.gz COZPOGFSXITCGS-UHFFFAOYSA-N 1 0 329.347 2.156 20 5 EEBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000029587295 463263102 /nfs/dbraw/zinc/26/31/02/463263102.db2.gz LPMKGQLCDJYACV-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CCc1ccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568501558 468346966 /nfs/dbraw/zinc/34/69/66/468346966.db2.gz PNAGRMFEGJGOAE-KRWDZBQOSA-N 1 0 346.431 2.282 20 5 EEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000137295579 463288125 /nfs/dbraw/zinc/28/81/25/463288125.db2.gz LSIBOXHNKHVBEX-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069657612 463296862 /nfs/dbraw/zinc/29/68/62/463296862.db2.gz AZAOGUZNZBMMJH-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@H]1OCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000139132090 463318246 /nfs/dbraw/zinc/31/82/46/463318246.db2.gz FETOONMJVQPQHY-VXGBXAGGSA-N 1 0 335.360 2.002 20 5 EEBDRO C[C@@H]1[C@H](C)OCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000139131857 463318374 /nfs/dbraw/zinc/31/83/74/463318374.db2.gz FETOONMJVQPQHY-NEPJUHHUSA-N 1 0 335.360 2.002 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000055748204 463346651 /nfs/dbraw/zinc/34/66/51/463346651.db2.gz JMLSBHHQTIQDLK-RBSFLKMASA-N 1 0 349.431 2.456 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000160672828 463361088 /nfs/dbraw/zinc/36/10/88/463361088.db2.gz VLECOCZYSPSDNC-LLVKDONJSA-N 1 0 332.385 2.152 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000161118965 463401066 /nfs/dbraw/zinc/40/10/66/463401066.db2.gz BGUWJVWBIRYMHU-MNOVXSKESA-N 1 0 337.376 2.002 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000033083694 463411609 /nfs/dbraw/zinc/41/16/09/463411609.db2.gz HDMGYOIFRRBPGK-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(CN3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000151156705 463485172 /nfs/dbraw/zinc/48/51/72/463485172.db2.gz OMSBGRGJXARHGI-UHFFFAOYSA-N 1 0 339.355 2.453 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151170968 463488020 /nfs/dbraw/zinc/48/80/20/463488020.db2.gz LTDXCAOHJDQGNB-UHFFFAOYSA-N 1 0 328.372 2.191 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c2nonc21 ZINC000057688336 463507133 /nfs/dbraw/zinc/50/71/33/463507133.db2.gz FBKLQNWRNMAHCT-UHFFFAOYSA-N 1 0 339.355 2.453 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106864927 463542829 /nfs/dbraw/zinc/54/28/29/463542829.db2.gz KZFLMFSQIMOBBB-CZUORRHYSA-N 1 0 335.404 2.467 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000193877803 463753384 /nfs/dbraw/zinc/75/33/84/463753384.db2.gz ZXLROQMUWODHNU-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+]1CCCC1 ZINC000283171727 463790820 /nfs/dbraw/zinc/79/08/20/463790820.db2.gz PLJIEGBRFPLEBQ-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO O=C(CN1CC[NH2+]CC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000261601348 463798027 /nfs/dbraw/zinc/79/80/27/463798027.db2.gz BHDCDRADKUYPBL-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO [NH3+]C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000269103467 463875915 /nfs/dbraw/zinc/87/59/15/463875915.db2.gz AHNDVYDHNJUCKH-UHFFFAOYSA-N 1 0 346.156 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277117423 463879540 /nfs/dbraw/zinc/87/95/40/463879540.db2.gz YDUAVXMAQPQAHX-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000178401194 463894143 /nfs/dbraw/zinc/89/41/43/463894143.db2.gz QBBRRUMWRJSLGJ-GFCCVEGCSA-N 1 0 325.368 2.268 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269239269 463922524 /nfs/dbraw/zinc/92/25/24/463922524.db2.gz XVLJBKIZNZTDCM-ZYHUDNBSSA-N 1 0 341.795 2.213 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000172245956 464028277 /nfs/dbraw/zinc/02/82/77/464028277.db2.gz GEIHPOJXUOIIHA-UHFFFAOYSA-N 1 0 348.447 2.016 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000178978583 464029053 /nfs/dbraw/zinc/02/90/53/464029053.db2.gz JLEUCIXZHUOSPR-SWLSCSKDSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000262773138 464045492 /nfs/dbraw/zinc/04/54/92/464045492.db2.gz BKQPFQGSHVWNDH-HUUCEWRRSA-N 1 0 349.434 2.411 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283955025 464052570 /nfs/dbraw/zinc/05/25/70/464052570.db2.gz LKOCMAKPPACVPV-LLVKDONJSA-N 1 0 338.383 2.120 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cnn(C)c1 ZINC000195518845 464068710 /nfs/dbraw/zinc/06/87/10/464068710.db2.gz DIGLMNTXGZXHPJ-UHFFFAOYSA-N 1 0 345.403 2.487 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000269865288 464115986 /nfs/dbraw/zinc/11/59/86/464115986.db2.gz XAWWPLVNOKQLOM-FPMFFAJLSA-N 1 0 335.404 2.466 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180006583 464222818 /nfs/dbraw/zinc/22/28/18/464222818.db2.gz BLWZAACGVYLZEU-NSHDSACASA-N 1 0 343.330 2.410 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443712 464313268 /nfs/dbraw/zinc/31/32/68/464313268.db2.gz VVTFKHUQKOLTLZ-VHSXEESVSA-N 1 0 347.462 2.345 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237459264 464323471 /nfs/dbraw/zinc/32/34/71/464323471.db2.gz XPCHGROZIATPKU-CABZTGNLSA-N 1 0 347.824 2.139 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000264439072 464326362 /nfs/dbraw/zinc/32/63/62/464326362.db2.gz FHQJKXJNSNVHQE-UHFFFAOYSA-N 1 0 333.436 2.269 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000237641223 464355301 /nfs/dbraw/zinc/35/53/01/464355301.db2.gz QXRBKKMQDHLXGK-KRWDZBQOSA-N 1 0 332.404 2.052 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237751420 464374950 /nfs/dbraw/zinc/37/49/50/464374950.db2.gz CLLNDOTZNHGVGO-LSDHHAIUSA-N 1 0 349.434 2.364 20 5 EEBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000271781947 464382914 /nfs/dbraw/zinc/38/29/14/464382914.db2.gz SJRKVBQRGKQSNT-UHFFFAOYSA-N 1 0 345.355 2.397 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCC[NH2+]C1 ZINC000238151046 464435719 /nfs/dbraw/zinc/43/57/19/464435719.db2.gz MURSMRHBLVJZNR-OAHLLOKOSA-N 1 0 349.434 2.271 20 5 EEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174819169 464454316 /nfs/dbraw/zinc/45/43/16/464454316.db2.gz GPJNOIJWELHARQ-OAHLLOKOSA-N 1 0 346.387 2.343 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000174921397 464468805 /nfs/dbraw/zinc/46/88/05/464468805.db2.gz HDMHYHHMGUVGKL-VXGBXAGGSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[N@H+](C)C1CC1 ZINC000294508371 464520640 /nfs/dbraw/zinc/52/06/40/464520640.db2.gz HKMVGENWQXJRJY-LLVKDONJSA-N 1 0 343.387 2.197 20 5 EEBDRO CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000294581235 464542962 /nfs/dbraw/zinc/54/29/62/464542962.db2.gz WKRBLOLWTMABBC-CYBMUJFWSA-N 1 0 349.416 2.073 20 5 EEBDRO CN1CC[NH+](CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000265457922 464566903 /nfs/dbraw/zinc/56/69/03/464566903.db2.gz WGKIKSGVJVBXIS-UHFFFAOYSA-N 1 0 338.477 2.116 20 5 EEBDRO Cc1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294773058 464599896 /nfs/dbraw/zinc/59/98/96/464599896.db2.gz GBBZTNHJSBBHHY-NSHDSACASA-N 1 0 336.348 2.073 20 5 EEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294958789 464661764 /nfs/dbraw/zinc/66/17/64/464661764.db2.gz CLCGJXWENXQHSE-PBHICJAKSA-N 1 0 346.431 2.151 20 5 EEBDRO CC1(C)COCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295051930 464690150 /nfs/dbraw/zinc/69/01/50/464690150.db2.gz KAOFMGAEMLAEQL-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000568988354 468418944 /nfs/dbraw/zinc/41/89/44/468418944.db2.gz QORCQAPNZOMDQF-ZJUUUORDSA-N 1 0 329.784 2.259 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000176072109 464693449 /nfs/dbraw/zinc/69/34/49/464693449.db2.gz NRGWDLYMABGNJK-HNNXBMFYSA-N 1 0 346.362 2.349 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000273870665 464726706 /nfs/dbraw/zinc/72/67/06/464726706.db2.gz QAQJLXZRBXXHCQ-IRXDYDNUSA-N 1 0 330.388 2.379 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249102301 464842377 /nfs/dbraw/zinc/84/23/77/464842377.db2.gz FHWAIKICZGWFIX-GOEBONIOSA-N 1 0 347.415 2.227 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)[C@H]1[C@H]3C2 ZINC000286325498 464881752 /nfs/dbraw/zinc/88/17/52/464881752.db2.gz DOSWDBLLSBPVML-VCMWWZGJSA-N 1 0 345.399 2.197 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177067097 464922024 /nfs/dbraw/zinc/92/20/24/464922024.db2.gz MBRCVYNWRXGXTM-STQMWFEESA-N 1 0 333.388 2.105 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000192456170 464928415 /nfs/dbraw/zinc/92/84/15/464928415.db2.gz DWKAJRZOCQOMPV-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CCc1n[nH]c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192568261 464948436 /nfs/dbraw/zinc/94/84/36/464948436.db2.gz HSIWUZYEESWKCJ-UHFFFAOYSA-N 1 0 337.424 2.073 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593916537 468432281 /nfs/dbraw/zinc/43/22/81/468432281.db2.gz PXXANHAIFMQRFH-UKRRQHHQSA-N 1 0 334.420 2.373 20 5 EEBDRO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000337550933 465428399 /nfs/dbraw/zinc/42/83/99/465428399.db2.gz OGWRPZYJAKXIGB-QWHCGFSZSA-N 1 0 347.423 2.411 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339726252 465470896 /nfs/dbraw/zinc/47/08/96/465470896.db2.gz UCERNFLHJASQCO-MRXNPFEDSA-N 1 0 335.404 2.228 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360468003 465571481 /nfs/dbraw/zinc/57/14/81/465571481.db2.gz ILFLCRDOMULEHM-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000360666691 465592054 /nfs/dbraw/zinc/59/20/54/465592054.db2.gz QPKVEUZTZVQUNV-OAHLLOKOSA-N 1 0 342.399 2.932 20 5 EEBDRO CN(C(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519081 465646898 /nfs/dbraw/zinc/64/68/98/465646898.db2.gz AEURLKGZPYGWKD-QWHCGFSZSA-N 1 0 343.330 2.308 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000299228836 465655788 /nfs/dbraw/zinc/65/57/88/465655788.db2.gz JDYSDOSUHQHCPX-NSHDSACASA-N 1 0 339.417 2.369 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371232604 465658316 /nfs/dbraw/zinc/65/83/16/465658316.db2.gz TVDBVEFUBHHTJE-OAHLLOKOSA-N 1 0 333.388 2.208 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294260 465692691 /nfs/dbraw/zinc/69/26/91/465692691.db2.gz JQQPCTJKFWKONU-QILLFSRXSA-N 1 0 349.431 2.287 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330590579 465719918 /nfs/dbraw/zinc/71/99/18/465719918.db2.gz OAAPUZVQIFLUEP-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338019095 465753645 /nfs/dbraw/zinc/75/36/45/465753645.db2.gz OQAVOYYPJZIKKK-ZDUSSCGKSA-N 1 0 345.403 2.497 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084352 465756759 /nfs/dbraw/zinc/75/67/59/465756759.db2.gz PVCCXLHRFUGZEC-ZYHUDNBSSA-N 1 0 327.331 2.238 20 5 EEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000330706738 465770825 /nfs/dbraw/zinc/77/08/25/465770825.db2.gz LZHSFYIPEAVQST-JSGCOSHPSA-N 1 0 325.384 2.011 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000338053786 465784354 /nfs/dbraw/zinc/78/43/54/465784354.db2.gz XJEUHJSYNCRUQN-HIFRSBDPSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000338062122 465790881 /nfs/dbraw/zinc/79/08/81/465790881.db2.gz GEEPOXNVWICSNL-BBRMVZONSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000340134143 465797695 /nfs/dbraw/zinc/79/76/95/465797695.db2.gz IHQOIVJNRLOZFP-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000593993242 468453931 /nfs/dbraw/zinc/45/39/31/468453931.db2.gz FKEFZQYOZMWCCK-QLFBSQMISA-N 1 0 346.431 2.399 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)C1 ZINC000346127650 465937789 /nfs/dbraw/zinc/93/77/89/465937789.db2.gz CQSTXBBAOZZQJK-ZOWXZIJZSA-N 1 0 333.388 2.103 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346181861 465968933 /nfs/dbraw/zinc/96/89/33/465968933.db2.gz BWZGCKUQZFFGSZ-SGMGOOAPSA-N 1 0 349.435 2.073 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000349281214 466048660 /nfs/dbraw/zinc/04/86/60/466048660.db2.gz KALGKIPPDIVABK-OAHLLOKOSA-N 1 0 349.431 2.476 20 5 EEBDRO O=C(c1cc(N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591434308 468468367 /nfs/dbraw/zinc/46/83/67/468468367.db2.gz ORESCZXXCVKRHV-SFHVURJKSA-N 1 0 344.415 2.021 20 5 EEBDRO C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301903429 466056903 /nfs/dbraw/zinc/05/69/03/466056903.db2.gz XHAXACVGDPUYPP-NSHDSACASA-N 1 0 343.449 2.387 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@@H]21 ZINC000301902480 466058105 /nfs/dbraw/zinc/05/81/05/466058105.db2.gz ODILAEYPWBLVJR-GOEBONIOSA-N 1 0 335.404 2.291 20 5 EEBDRO CCc1cc(N2CC([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301911397 466058968 /nfs/dbraw/zinc/05/89/68/466058968.db2.gz SNVMARFHVGXXSW-UHFFFAOYSA-N 1 0 327.388 2.364 20 5 EEBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000302070260 466092105 /nfs/dbraw/zinc/09/21/05/466092105.db2.gz YCKJVZIPXKXWHU-INIZCTEOSA-N 1 0 342.399 2.477 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302140962 466104630 /nfs/dbraw/zinc/10/46/30/466104630.db2.gz DVSOMDGHNHTJKR-LLVKDONJSA-N 1 0 344.362 2.244 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000357861586 466270339 /nfs/dbraw/zinc/27/03/39/466270339.db2.gz IQCHKWKBDRSLBD-IUODEOHRSA-N 1 0 345.403 2.058 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000340779179 466329993 /nfs/dbraw/zinc/32/99/93/466329993.db2.gz OLPIDLSAXYGUDP-OCCSQVGLSA-N 1 0 328.372 2.200 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591581758 468486810 /nfs/dbraw/zinc/48/68/10/468486810.db2.gz QZKRXRZFMYSDHF-CVEARBPZSA-N 1 0 341.415 2.149 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347068749 466366471 /nfs/dbraw/zinc/36/64/71/466366471.db2.gz OPIXADIXPKXTEF-JSGCOSHPSA-N 1 0 328.372 2.488 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000307825649 466495515 /nfs/dbraw/zinc/49/55/15/466495515.db2.gz UYPIBOZHJSFJBY-VIFPVBQESA-N 1 0 325.674 2.258 20 5 EEBDRO CN1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000358151566 466496458 /nfs/dbraw/zinc/49/64/58/466496458.db2.gz BCPUVCBHDKDXJY-KRWDZBQOSA-N 1 0 347.440 2.480 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000320033137 466602717 /nfs/dbraw/zinc/60/27/17/466602717.db2.gz XFOXNJKWJZNKCI-NSHDSACASA-N 1 0 329.422 2.139 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000591678761 468501196 /nfs/dbraw/zinc/50/11/96/468501196.db2.gz GANUHKKIHYILDM-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591677277 468501304 /nfs/dbraw/zinc/50/13/04/468501304.db2.gz FBHRFIIPHIXHCC-JTQLQIEISA-N 1 0 331.294 2.486 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000322380664 466631699 /nfs/dbraw/zinc/63/16/99/466631699.db2.gz NBHBKRJTTCSQSE-VHSXEESVSA-N 1 0 325.315 2.230 20 5 EEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368445415 466638108 /nfs/dbraw/zinc/63/81/08/466638108.db2.gz KTSBDGCICDPZQZ-GFCCVEGCSA-N 1 0 339.827 2.224 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000374503923 466654773 /nfs/dbraw/zinc/65/47/73/466654773.db2.gz LJTYGMYZJQXETG-JGFGOQIWSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000325468816 466659346 /nfs/dbraw/zinc/65/93/46/466659346.db2.gz JVHYGBNAAXHSPT-OAHLLOKOSA-N 1 0 330.388 2.259 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN)C1CCCC1 ZINC000423505039 466760526 /nfs/dbraw/zinc/76/05/26/466760526.db2.gz HAKMVAPUEHXRMN-MLGOLLRUSA-N 1 0 334.420 2.419 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)n1 ZINC000365506359 466840760 /nfs/dbraw/zinc/84/07/60/466840760.db2.gz FCTNUPUQESBGSQ-QGZVFWFLSA-N 1 0 344.415 2.422 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000411717081 466886263 /nfs/dbraw/zinc/88/62/63/466886263.db2.gz HUMSBOGVNHZPAD-LMVJKFGMSA-N 1 0 345.399 2.279 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423973557 466933944 /nfs/dbraw/zinc/93/39/44/466933944.db2.gz JWNKMVVXNIFIIZ-QGZVFWFLSA-N 1 0 343.383 2.352 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411956739 466947098 /nfs/dbraw/zinc/94/70/98/466947098.db2.gz AJRPHOFRGGBRSX-JDFRZJQESA-N 1 0 338.404 2.128 20 5 EEBDRO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820091 466950970 /nfs/dbraw/zinc/95/09/70/466950970.db2.gz LYVAWMPQSCKPCQ-GFCCVEGCSA-N 1 0 337.424 2.122 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000424038432 466959606 /nfs/dbraw/zinc/95/96/06/466959606.db2.gz IFTBIDPWDOXTHI-KRWDZBQOSA-N 1 0 331.416 2.374 20 5 EEBDRO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000365928624 466991582 /nfs/dbraw/zinc/99/15/82/466991582.db2.gz ORRHDWXCMRBCMG-MCIONIFRSA-N 1 0 349.435 2.216 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418349654 467096712 /nfs/dbraw/zinc/09/67/12/467096712.db2.gz QDKSXZVQQQLXEC-CYBMUJFWSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418375652 467100975 /nfs/dbraw/zinc/10/09/75/467100975.db2.gz FCQWPKRHKAIDJH-LSDHHAIUSA-N 1 0 332.404 2.236 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418689681 467146690 /nfs/dbraw/zinc/14/66/90/467146690.db2.gz FZBONNUERSCEBV-GFCCVEGCSA-N 1 0 336.392 2.016 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000433378030 467325073 /nfs/dbraw/zinc/32/50/73/467325073.db2.gz YAIRHZYKMAWVHB-BBRMVZONSA-N 1 0 343.387 2.083 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420273356 467334541 /nfs/dbraw/zinc/33/45/41/467334541.db2.gz NFVHSUOIJGVMKT-IINYFYTJSA-N 1 0 340.811 2.388 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000420335593 467363340 /nfs/dbraw/zinc/36/33/40/467363340.db2.gz LSYLKVLQPKLJRK-JQWIXIFHSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429775574 467369563 /nfs/dbraw/zinc/36/95/63/467369563.db2.gz PZJJNVPIPGHPFO-CZUORRHYSA-N 1 0 335.404 2.041 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000414123528 467379787 /nfs/dbraw/zinc/37/97/87/467379787.db2.gz BJTKKEVFDFMKFA-DFBGVHRSSA-N 1 0 326.418 2.393 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420376252 467384558 /nfs/dbraw/zinc/38/45/58/467384558.db2.gz AJEKXFIAVTYGCV-QWHCGFSZSA-N 1 0 330.388 2.475 20 5 EEBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC000385383533 467386180 /nfs/dbraw/zinc/38/61/80/467386180.db2.gz PBZGUGISRGUUTM-RNCFNFMXSA-N 1 0 326.194 2.464 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420456351 467413347 /nfs/dbraw/zinc/41/33/47/467413347.db2.gz AESWGPPHNVYTSJ-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420633513 467438319 /nfs/dbraw/zinc/43/83/19/467438319.db2.gz JIORMGRSDYPOGK-AWEZNQCLSA-N 1 0 332.404 2.017 20 5 EEBDRO CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447527842 467587786 /nfs/dbraw/zinc/58/77/86/467587786.db2.gz GDRVFQQOQAQWOR-VXGBXAGGSA-N 1 0 349.357 2.359 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642011 467674756 /nfs/dbraw/zinc/67/47/56/467674756.db2.gz WFPYIVGEVXJNQE-KBPBESRZSA-N 1 0 334.420 2.421 20 5 EEBDRO CNc1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455723269 467695818 /nfs/dbraw/zinc/69/58/18/467695818.db2.gz ZJAAMTOLBIQEIU-ZDUSSCGKSA-N 1 0 347.419 2.122 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458208060 467790047 /nfs/dbraw/zinc/79/00/47/467790047.db2.gz JUSHMFVUXBHNHJ-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450528878 467865018 /nfs/dbraw/zinc/86/50/18/467865018.db2.gz RNZDJOVGSVOAGX-UHFFFAOYSA-N 1 0 345.447 2.463 20 5 EEBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000450814536 467912989 /nfs/dbraw/zinc/91/29/89/467912989.db2.gz VXSGDFAZPCCHQF-CQSZACIVSA-N 1 0 329.404 2.287 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000479584122 468003226 /nfs/dbraw/zinc/00/32/26/468003226.db2.gz CQNSWFDDTHSBNZ-GFCCVEGCSA-N 1 0 337.395 2.465 20 5 EEBDRO C/C(=C/c1ccccc1)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293606 468042797 /nfs/dbraw/zinc/04/27/97/468042797.db2.gz QSURMQISDSBHPZ-QHIITQONSA-N 1 0 330.388 2.188 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531361634 468047422 /nfs/dbraw/zinc/04/74/22/468047422.db2.gz XKJOMJNQXVCAFY-UHFFFAOYSA-N 1 0 337.376 2.175 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000516903438 468053893 /nfs/dbraw/zinc/05/38/93/468053893.db2.gz RLZRKVATGLRAGC-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000517366768 468082970 /nfs/dbraw/zinc/08/29/70/468082970.db2.gz ARSCLNONQBHOLC-ZDUSSCGKSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000490736630 468243542 /nfs/dbraw/zinc/24/35/42/468243542.db2.gz XZMXDYOBIQYZLH-AZJURWTESA-N 1 0 347.415 2.224 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590522982 468267553 /nfs/dbraw/zinc/26/75/53/468267553.db2.gz QKYBNYQAIUNSLR-NSHDSACASA-N 1 0 344.371 2.015 20 5 EEBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594450237 468593612 /nfs/dbraw/zinc/59/36/12/468593612.db2.gz VOXQFDVVAWOUJU-FUHWJXTLSA-N 1 0 329.400 2.476 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000594496374 468609545 /nfs/dbraw/zinc/60/95/45/468609545.db2.gz LTPQEMHJKRCVTQ-QGZVFWFLSA-N 1 0 333.432 2.370 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000597716238 468649230 /nfs/dbraw/zinc/64/92/30/468649230.db2.gz PXIQNNWGTAZUBV-GOSISDBHSA-N 1 0 346.431 2.341 20 5 EEBDRO CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600762487 468650839 /nfs/dbraw/zinc/65/08/39/468650839.db2.gz MPBYALGMVWSYOM-NVXWUHKLSA-N 1 0 332.404 2.153 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000558259783 468670786 /nfs/dbraw/zinc/67/07/86/468670786.db2.gz XFMBCNPOQMFFEW-STQMWFEESA-N 1 0 326.418 2.379 20 5 EEBDRO Cn1cc(CN2CCC(C)([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592431537 468696892 /nfs/dbraw/zinc/69/68/92/468696892.db2.gz BMMAHGCZUDQZTD-UHFFFAOYSA-N 1 0 329.404 2.309 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000592543930 468727520 /nfs/dbraw/zinc/72/75/20/468727520.db2.gz YKCQXYLJEOXMDQ-CABCVRRESA-N 1 0 346.431 2.197 20 5 EEBDRO C[C@@H](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597991723 468732911 /nfs/dbraw/zinc/73/29/11/468732911.db2.gz HHYWUGWOBFIECM-NSHDSACASA-N 1 0 343.811 2.474 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000595046696 468748318 /nfs/dbraw/zinc/74/83/18/468748318.db2.gz NBDHJDIVGVUPKG-RYUDHWBXSA-N 1 0 333.388 2.265 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C(N)=O)cs1 ZINC000595081537 468753661 /nfs/dbraw/zinc/75/36/61/468753661.db2.gz IGWMBTXDZFKZKL-SNVBAGLBSA-N 1 0 334.401 2.261 20 5 EEBDRO C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583849038 468762942 /nfs/dbraw/zinc/76/29/42/468762942.db2.gz CXFUNVNJJDGSIV-QLFBSQMISA-N 1 0 349.431 2.314 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000601190093 468776240 /nfs/dbraw/zinc/77/62/40/468776240.db2.gz ZSSUCNLIKKQZLI-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000584111145 468802374 /nfs/dbraw/zinc/80/23/74/468802374.db2.gz NUFKHOJBOBYTKS-SUMWQHHRSA-N 1 0 343.383 2.426 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595353276 468822875 /nfs/dbraw/zinc/82/28/75/468822875.db2.gz DLDHYHVEDZVTRN-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO O=C(C[NH2+]C1(C2CCC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593082355 468863536 /nfs/dbraw/zinc/86/35/36/468863536.db2.gz VIFRJDXLHPPJBS-UHFFFAOYSA-N 1 0 333.344 2.184 20 5 EEBDRO CC(C)n1cc(C2=CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000595520155 468887002 /nfs/dbraw/zinc/88/70/02/468887002.db2.gz YQRUAGLDOPJRFT-UHFFFAOYSA-N 1 0 345.407 2.143 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521863 468887897 /nfs/dbraw/zinc/88/78/97/468887897.db2.gz FXDSCXQLLXMSFW-FUHWJXTLSA-N 1 0 335.448 2.475 20 5 EEBDRO CC(C)=CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595544639 468895629 /nfs/dbraw/zinc/89/56/29/468895629.db2.gz BKSYUPDPPKYUAO-UHFFFAOYSA-N 1 0 341.433 2.161 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[NH2+]1 ZINC000598574518 468919238 /nfs/dbraw/zinc/91/92/38/468919238.db2.gz RHESLYBUTROFAE-MRXNPFEDSA-N 1 0 343.387 2.055 20 5 EEBDRO CCOc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000610515365 468991058 /nfs/dbraw/zinc/99/10/58/468991058.db2.gz OSUIOLDXUBLQHR-INIZCTEOSA-N 1 0 348.447 2.210 20 5 EEBDRO COC(=O)COc1ccc(C[NH+]2CCC(C)(F)CC2)cc1[N+](=O)[O-] ZINC000602743428 469046703 /nfs/dbraw/zinc/04/67/03/469046703.db2.gz VWOVDTSZCGYCDM-UHFFFAOYSA-N 1 0 340.351 2.471 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610720675 469049475 /nfs/dbraw/zinc/04/94/75/469049475.db2.gz PBFIOTSGFNZYED-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[NH2+]Cc1ccccc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000593708698 469105036 /nfs/dbraw/zinc/10/50/36/469105036.db2.gz KMRVYCMYYHDQLR-UHFFFAOYSA-N 1 0 342.399 2.356 20 5 EEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[NH2+]1 ZINC000596017035 469119952 /nfs/dbraw/zinc/11/99/52/469119952.db2.gz ZWDFIUBPMMFIGN-NWDGAFQWSA-N 1 0 338.383 2.123 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599137665 469132492 /nfs/dbraw/zinc/13/24/92/469132492.db2.gz BGXZDNIDCIQCHT-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000596064115 469135985 /nfs/dbraw/zinc/13/59/85/469135985.db2.gz SLGDYPVTROKOLL-UHFFFAOYSA-N 1 0 329.404 3.026 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCCC[NH+]3CCC(O)CC3)ccnc21 ZINC000596085930 469148102 /nfs/dbraw/zinc/14/81/02/469148102.db2.gz PHQJGHSKVFZUAN-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602037418 469156450 /nfs/dbraw/zinc/15/64/50/469156450.db2.gz ANTVMFJIEWNYAF-INIZCTEOSA-N 1 0 332.404 2.140 20 5 EEBDRO NC(=O)c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596167894 469184028 /nfs/dbraw/zinc/18/40/28/469184028.db2.gz HYECOWVMCQIGSR-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000602117026 469197870 /nfs/dbraw/zinc/19/78/70/469197870.db2.gz NTXDSZBWQJGTJB-AWEZNQCLSA-N 1 0 349.431 2.439 20 5 EEBDRO COCCNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611253747 469210081 /nfs/dbraw/zinc/21/00/81/469210081.db2.gz PBGUPIYSQGYWHI-GQCTYLIASA-N 1 0 347.415 2.083 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1F ZINC000563350606 469233893 /nfs/dbraw/zinc/23/38/93/469233893.db2.gz PIHFDGBHJRDEIT-NSHDSACASA-N 1 0 334.351 2.466 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000611523191 469271335 /nfs/dbraw/zinc/27/13/35/469271335.db2.gz CPXZVJBTLLBGBW-UHFFFAOYSA-N 1 0 343.431 2.226 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3cccc(F)c3)CC2)n1 ZINC000599504528 469278580 /nfs/dbraw/zinc/27/85/80/469278580.db2.gz BHJBMZQWOLIDSR-UHFFFAOYSA-N 1 0 334.351 2.474 20 5 EEBDRO COC(=O)c1cnc(N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488481 469281899 /nfs/dbraw/zinc/28/18/99/469281899.db2.gz QAWLLTNNQPLWIA-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@H](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000596544756 469298329 /nfs/dbraw/zinc/29/83/29/469298329.db2.gz QAXDNUKCVDGMCD-LLVKDONJSA-N 1 0 342.827 2.430 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602489718 469337615 /nfs/dbraw/zinc/33/76/15/469337615.db2.gz NTCYWFQSVAYTNP-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602563579 469362747 /nfs/dbraw/zinc/36/27/47/469362747.db2.gz MUJDZKQGPPHHAB-GJZGRUSLSA-N 1 0 334.420 2.362 20 5 EEBDRO CC(C)(C)C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602574736 469366884 /nfs/dbraw/zinc/36/68/84/469366884.db2.gz MNYZMHNCHHKJHE-AWEZNQCLSA-N 1 0 336.436 2.345 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(CC3CC3)C2)n1 ZINC000618567970 469391962 /nfs/dbraw/zinc/39/19/62/469391962.db2.gz ARAIZDRZJMVHNF-OWCLPIDISA-N 1 0 333.436 2.349 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609878677 469967805 /nfs/dbraw/zinc/96/78/05/469967805.db2.gz ZPVAEOAJKHIFPF-AWEZNQCLSA-N 1 0 335.404 2.137 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610112017 469981590 /nfs/dbraw/zinc/98/15/90/469981590.db2.gz QQSKMJDDSCTTQR-UHFFFAOYSA-N 1 0 346.387 2.262 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@H](O)CC[C@@H]4C3)o2)cc1 ZINC000595634017 485606769 /nfs/dbraw/zinc/60/67/69/485606769.db2.gz TWUCEGFWANEGOW-VNHYZAJKSA-N 1 0 344.371 2.238 20 5 EEBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602570805 485643756 /nfs/dbraw/zinc/64/37/56/485643756.db2.gz UFAHYNSVXAYLFC-UONOGXRCSA-N 1 0 334.420 2.363 20 5 EEBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc2c[nH+]cn2c1 ZINC000352799701 485654458 /nfs/dbraw/zinc/65/44/58/485654458.db2.gz XXDBXZZRDBJGCZ-UHFFFAOYSA-N 1 0 348.322 2.885 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175088239 534347675 /nfs/dbraw/zinc/34/76/75/534347675.db2.gz KIAKMXHFYOZXSZ-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO CC1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000183317756 527976891 /nfs/dbraw/zinc/97/68/91/527976891.db2.gz FWCHRKVFWZXYJW-UHFFFAOYSA-N 1 0 332.404 2.289 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420467297 528953870 /nfs/dbraw/zinc/95/38/70/528953870.db2.gz WWCKWCPWHQPIAW-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO CC1(C)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000190520551 529123515 /nfs/dbraw/zinc/12/35/15/529123515.db2.gz ZTUVUHWXVFQEKB-AWEZNQCLSA-N 1 0 338.404 2.224 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132672952 529139738 /nfs/dbraw/zinc/13/97/38/529139738.db2.gz BIRPQNIVWSEDLD-DZGCQCFKSA-N 1 0 338.404 2.270 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000236848549 535194370 /nfs/dbraw/zinc/19/43/70/535194370.db2.gz WQXOJSTZACYJLK-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451788484 536419554 /nfs/dbraw/zinc/41/95/54/536419554.db2.gz KYZIIWNKOAEUPG-ZIAGYGMSSA-N 1 0 340.420 2.063 20 5 EEBDRO CNc1nc(C(=O)N(CC[NH+](C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000455636136 536422581 /nfs/dbraw/zinc/42/25/81/536422581.db2.gz QXVXUCBPIQBPPP-UHFFFAOYSA-N 1 0 349.435 2.368 20 5 EEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000738516047 578017857 /nfs/dbraw/zinc/01/78/57/578017857.db2.gz KFRWWZOKXCQKDB-UHFFFAOYSA-N 1 0 344.371 2.029 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000731469570 577102430 /nfs/dbraw/zinc/10/24/30/577102430.db2.gz ZULHTBVFURSTLI-ZDUSSCGKSA-N 1 0 328.372 2.066 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCNc2ncccn2)n1 ZINC000774220290 577389740 /nfs/dbraw/zinc/38/97/40/577389740.db2.gz VMIMDKCQAKJVHS-ZIAGYGMSSA-N 1 0 345.407 2.157 20 5 EEBDRO CC[N@H+](CCC(=O)OC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636032 577407981 /nfs/dbraw/zinc/40/79/81/577407981.db2.gz IYWJRDQKZWZALN-UHFFFAOYSA-N 1 0 340.767 2.440 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000776278161 577456557 /nfs/dbraw/zinc/45/65/57/577456557.db2.gz SIPGFESOFIJMDG-IBGZPJMESA-N 1 0 341.411 2.276 20 5 EEBDRO Cc1nn(CN2CC[NH+](CC(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764859681 577489650 /nfs/dbraw/zinc/48/96/50/577489650.db2.gz LQQZRUVJNZNSAS-UHFFFAOYSA-N 1 0 331.420 2.484 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765079441 577494327 /nfs/dbraw/zinc/49/43/27/577494327.db2.gz NEOMISSNEZHFHZ-INIZCTEOSA-N 1 0 332.360 2.095 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000765931980 577509240 /nfs/dbraw/zinc/50/92/40/577509240.db2.gz XCYAZFKZJUUTAK-NEPJUHHUSA-N 1 0 339.367 2.054 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(F)cc1)OCCO2 ZINC000767717975 577543573 /nfs/dbraw/zinc/54/35/73/577543573.db2.gz RXDHVIRSZMTRGJ-HNNXBMFYSA-N 1 0 348.330 2.328 20 5 EEBDRO Cc1nn(C[N@H+](C)CCc2cnccn2)c2ccc([N+](=O)[O-])cc12 ZINC000770664127 577601125 /nfs/dbraw/zinc/60/11/25/577601125.db2.gz UDLCJINMCDTLGH-UHFFFAOYSA-N 1 0 326.360 2.175 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000754383994 577805573 /nfs/dbraw/zinc/80/55/73/577805573.db2.gz MCIDKJLWPFDKIW-GFCCVEGCSA-N 1 0 329.784 2.447 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754539709 577808302 /nfs/dbraw/zinc/80/83/02/577808302.db2.gz LQHVKQCWTRCQTG-FZMZJTMJSA-N 1 0 349.387 2.162 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793357 577831636 /nfs/dbraw/zinc/83/16/36/577831636.db2.gz ZGJSIMFYVHKQBL-CYBMUJFWSA-N 1 0 326.360 2.125 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)CCC(F)(F)F ZINC000757614205 577861179 /nfs/dbraw/zinc/86/11/79/577861179.db2.gz NSZIICWZCFFSQS-UHFFFAOYSA-N 1 0 348.325 2.181 20 5 EEBDRO Cc1nn(CN2CC[NH+](C3CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749941516 577984207 /nfs/dbraw/zinc/98/42/07/577984207.db2.gz QBBUDJWAZLUGAB-UHFFFAOYSA-N 1 0 344.419 2.166 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001020810734 675509277 /nfs/dbraw/zinc/50/92/77/675509277.db2.gz YODRDYJTPVCRET-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)nc1 ZINC001021897052 676540370 /nfs/dbraw/zinc/54/03/70/676540370.db2.gz CVQGDPYPQQCTCG-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO Cc1[nH]nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1C ZINC001021904610 676543821 /nfs/dbraw/zinc/54/38/21/676543821.db2.gz GAOHHMMDRVPGRJ-TXEJJXNPSA-N 1 0 349.416 2.047 20 5 EEBDRO CCc1ocnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021918185 676548706 /nfs/dbraw/zinc/54/87/06/676548706.db2.gz HIGVTONLWSUHDT-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO CC[C@@H]1C[C@H]1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042124 677767206 /nfs/dbraw/zinc/76/72/06/677767206.db2.gz UBVIGLYMPNZHQY-TZMCWYRMSA-N 1 0 347.419 2.267 20 5 EEBDRO Cn1c2ccccc2c(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892285990 678588397 /nfs/dbraw/zinc/58/83/97/678588397.db2.gz CBKVUIMIYUTQTL-ZDUSSCGKSA-N 1 0 342.399 2.121 20 5 EEBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235380947 679798118 /nfs/dbraw/zinc/79/81/18/679798118.db2.gz XNLRBAOPIGHREP-CYBMUJFWSA-N 1 0 342.193 2.055 20 5 EEBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000892580392 681848871 /nfs/dbraw/zinc/84/88/71/681848871.db2.gz HQEUQZDPVHPEKT-LLVKDONJSA-N 1 0 347.337 2.424 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892713265 682827361 /nfs/dbraw/zinc/82/73/61/682827361.db2.gz DLPPABUQXYYSJR-GFCCVEGCSA-N 1 0 330.388 2.343 20 5 EEBDRO CN(C)c1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000892723506 682926380 /nfs/dbraw/zinc/92/63/80/682926380.db2.gz OWWRXRKGDCPXMB-UHFFFAOYSA-N 1 0 343.387 2.499 20 5 EEBDRO Cc1cc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC000983648937 683051224 /nfs/dbraw/zinc/05/12/24/683051224.db2.gz MWDVKCFHDHFACK-YFHUEUNASA-N 1 0 345.443 2.261 20 5 EEBDRO CCCc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000983653771 683062153 /nfs/dbraw/zinc/06/21/53/683062153.db2.gz LAKZRRAVILITCG-BRSBDYLESA-N 1 0 345.443 2.289 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892899034 683177064 /nfs/dbraw/zinc/17/70/64/683177064.db2.gz IJVCLTFXNJTLBW-RISCZKNCSA-N 1 0 342.399 2.341 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1ccccc1 ZINC001025656159 683222333 /nfs/dbraw/zinc/22/23/33/683222333.db2.gz NQIJJXKZGPLUPJ-PIIMJCKOSA-N 1 0 337.379 2.455 20 5 EEBDRO CC[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000119463422 683549571 /nfs/dbraw/zinc/54/95/71/683549571.db2.gz LCRWKLKVTUZLTC-LBPRGKRZSA-N 1 0 332.360 2.053 20 5 EEBDRO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)c1 ZINC001025959963 683688431 /nfs/dbraw/zinc/68/84/31/683688431.db2.gz FLCTXNSGHCILPO-HALDLXJZSA-N 1 0 341.367 2.356 20 5 EEBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000893262232 684364056 /nfs/dbraw/zinc/36/40/56/684364056.db2.gz IVLLLLFXODNLHK-DYVFJYSZSA-N 1 0 336.388 2.478 20 5 EEBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246665 684382344 /nfs/dbraw/zinc/38/23/44/684382344.db2.gz OZAGNFKMUOEBIL-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO Cc1conc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000985009616 685673604 /nfs/dbraw/zinc/67/36/04/685673604.db2.gz JITXXNNTRPKQMJ-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)CC[C@@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000904307723 694354872 /nfs/dbraw/zinc/35/48/72/694354872.db2.gz FCJRRJNBBPGEPM-CQSZACIVSA-N 1 0 335.452 2.265 20 5 EEBDRO CC(=O)NCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154264 691940968 /nfs/dbraw/zinc/94/09/68/691940968.db2.gz JTTANBUQPLYWQW-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO O=C(c1ccccn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989852413 692387812 /nfs/dbraw/zinc/38/78/12/692387812.db2.gz CEOCQDSQZFQWAE-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159489994 1188738783 /nfs/dbraw/zinc/73/87/83/1188738783.db2.gz WLUSKLVXJAJDEB-LLVKDONJSA-N 1 0 328.210 2.399 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001034599095 1196427953 /nfs/dbraw/zinc/42/79/53/1196427953.db2.gz HQRMSGZZGDQMJA-JOCQHMNTSA-N 1 0 349.416 2.210 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(CF)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643951 1196464841 /nfs/dbraw/zinc/46/48/41/1196464841.db2.gz VRRTVNMHYHQRAC-QBPKDAKJSA-N 1 0 349.406 2.338 20 5 EEBDRO CC(C)C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000865787007 1198375078 /nfs/dbraw/zinc/37/50/78/1198375078.db2.gz XWGSQJACXDBEJL-CYBMUJFWSA-N 1 0 325.384 2.369 20 5 EEBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000877095957 1199861745 /nfs/dbraw/zinc/86/17/45/1199861745.db2.gz WIHDCCBFRJQSNJ-HZSPNIEDSA-N 1 0 348.447 2.496 20 5 EEBDRO Nc1ccnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001170624540 1199878590 /nfs/dbraw/zinc/87/85/90/1199878590.db2.gz JTQJIAYGGSTVCS-UHFFFAOYSA-N 1 0 331.420 2.306 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000877346909 1199910046 /nfs/dbraw/zinc/91/00/46/1199910046.db2.gz VGROIIRHHBRFMQ-OAHLLOKOSA-N 1 0 341.367 2.048 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c1C1CC1 ZINC001132968662 1200237229 /nfs/dbraw/zinc/23/72/29/1200237229.db2.gz LUDIXLFTXHGODS-UHFFFAOYSA-N 1 0 334.401 2.381 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000869735686 1200245450 /nfs/dbraw/zinc/24/54/50/1200245450.db2.gz XIWYWKRYEOUGII-JHJVBQTASA-N 1 0 345.321 2.090 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@]3(CCOC3)C2)o1 ZINC000878185257 1200308880 /nfs/dbraw/zinc/30/88/80/1200308880.db2.gz HWMHWFYZGKAWLH-INIZCTEOSA-N 1 0 330.344 2.257 20 5 EEBDRO COc1cccc([C@@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879522753 1201119965 /nfs/dbraw/zinc/11/99/65/1201119965.db2.gz LVXDBNFJPFQMCM-AWEZNQCLSA-N 1 0 332.360 2.046 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCOCC1 ZINC000866298737 1201487970 /nfs/dbraw/zinc/48/79/70/1201487970.db2.gz FFGIBIQYSZMGFZ-BDJLRTHQSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000866375214 1201502650 /nfs/dbraw/zinc/50/26/50/1201502650.db2.gz MUGJPZSSJMQRAS-NSHDSACASA-N 1 0 346.424 2.468 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121162364 1201577383 /nfs/dbraw/zinc/57/73/83/1201577383.db2.gz BFJCOPJNJYRDJE-CYBMUJFWSA-N 1 0 345.403 2.188 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866777015 1201603849 /nfs/dbraw/zinc/60/38/49/1201603849.db2.gz NQSDSAJANHJYHN-UKRRQHHQSA-N 1 0 335.379 2.219 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000881470737 1201705212 /nfs/dbraw/zinc/70/52/12/1201705212.db2.gz ZMQQCACMCMKWGU-OAHLLOKOSA-N 1 0 347.415 2.276 20 5 EEBDRO Nc1c(C(=O)OCCC[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000800141487 1202212412 /nfs/dbraw/zinc/21/24/12/1202212412.db2.gz BAUMDCBAHUWAAJ-UHFFFAOYSA-N 1 0 325.340 2.349 20 5 EEBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924899433 1206047993 /nfs/dbraw/zinc/04/79/93/1206047993.db2.gz FKKFDZBWNUPNOS-WFASDCNBSA-N 1 0 346.387 2.062 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931040958 1206602182 /nfs/dbraw/zinc/60/21/82/1206602182.db2.gz ATLGOPGNANFJHH-XJKSGUPXSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000931044828 1206602577 /nfs/dbraw/zinc/60/25/77/1206602577.db2.gz BIUVEYPCGPDNIG-BXUZGUMPSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312041 1206623699 /nfs/dbraw/zinc/62/36/99/1206623699.db2.gz TZVZYGBEYNGNEX-QZTJIDSGSA-N 1 0 346.431 2.115 20 5 EEBDRO C[NH+](C)CC1(O)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000931482117 1207393469 /nfs/dbraw/zinc/39/34/69/1207393469.db2.gz XETMEWAUVRPZOR-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC[N@H+](CC(C)C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000193396115 1210827357 /nfs/dbraw/zinc/82/73/57/1210827357.db2.gz KBLUUYVGEFSIBT-KRWDZBQOSA-N 1 0 348.403 2.297 20 5 EEBDRO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957550161 1215202157 /nfs/dbraw/zinc/20/21/57/1215202157.db2.gz LXGHXXPSQMNKOI-HZPDHXFCSA-N 1 0 337.464 2.402 20 5 EEBDRO Cc1ocnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020014027 1229442235 /nfs/dbraw/zinc/44/22/35/1229442235.db2.gz IGGOXCSVNHVUIN-XYPYZODXSA-N 1 0 336.373 2.003 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC001039583374 1230702751 /nfs/dbraw/zinc/70/27/51/1230702751.db2.gz NMKSTPMHKGFWDQ-OCVGTWLNSA-N 1 0 349.456 2.021 20 5 EEBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435808 1237596696 /nfs/dbraw/zinc/59/66/96/1237596696.db2.gz VDKKPARJHBICMO-UIBIWLFHSA-N 1 0 341.415 2.489 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC001057142043 1242047714 /nfs/dbraw/zinc/04/77/14/1242047714.db2.gz KWWYBXCZPCGSKJ-UHFFFAOYSA-N 1 0 346.431 2.038 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903865767 1242221720 /nfs/dbraw/zinc/22/17/20/1242221720.db2.gz REAAXHIXFUJKOW-KRWDZBQOSA-N 1 0 332.404 2.060 20 5 EEBDRO [NH3+]Cc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000827133302 1250241904 /nfs/dbraw/zinc/24/19/04/1250241904.db2.gz SKSWNXWTBLOEQN-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO O=C(C1CCC1)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072386585 1255118987 /nfs/dbraw/zinc/11/89/87/1255118987.db2.gz PMBOMNSDFKHPDK-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000815626767 1278154161 /nfs/dbraw/zinc/15/41/61/1278154161.db2.gz LPPWUVYMLYWXKI-ZUFFMMDNSA-N 1 0 346.431 2.475 20 5 EEBDRO CCCc1[nH]ccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132690794 1277996417 /nfs/dbraw/zinc/99/64/17/1277996417.db2.gz VGTUWIJASIORJB-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000852284059 1292076683 /nfs/dbraw/zinc/07/66/83/1292076683.db2.gz GLAWLJVWHHLVGI-MRXNPFEDSA-N 1 0 338.379 2.391 20 5 EEBDRO COc1cc(NCCN2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800175 1292458389 /nfs/dbraw/zinc/45/83/89/1292458389.db2.gz TWFVYIXNYCQBAP-RYUDHWBXSA-N 1 0 339.392 2.133 20 5 EEBDRO CC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C3)CC1 ZINC001072763298 1296116344 /nfs/dbraw/zinc/11/63/44/1296116344.db2.gz WUXHNWHCZLWSNV-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO O=C1NCCN1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000886745463 1296707602 /nfs/dbraw/zinc/70/76/02/1296707602.db2.gz XWKJBIMEFXTAJF-KRWDZBQOSA-N 1 0 340.383 2.299 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Cc1ccc(O)cc1 ZINC001231219908 1303687415 /nfs/dbraw/zinc/68/74/15/1303687415.db2.gz CUVLRHVQVOSKRN-GOSISDBHSA-O 1 0 344.431 2.346 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112354043 1304483355 /nfs/dbraw/zinc/48/33/55/1304483355.db2.gz OXALGPCSUAIGHU-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116147606 1305857253 /nfs/dbraw/zinc/85/72/53/1305857253.db2.gz LHUTXQFXBGTUDW-OAHLLOKOSA-N 1 0 334.445 2.269 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc2ccccc2[nH]1 ZINC001116405544 1305881920 /nfs/dbraw/zinc/88/19/20/1305881920.db2.gz DGEGVRNDRUYMST-UHFFFAOYSA-N 1 0 326.356 2.370 20 5 EEBDRO C[C@H](C(=O)NCc1ccco1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001116945251 1305933182 /nfs/dbraw/zinc/93/31/82/1305933182.db2.gz RUERDDDACQXKSG-CYBMUJFWSA-N 1 0 331.372 2.367 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001120610647 1309641817 /nfs/dbraw/zinc/64/18/17/1309641817.db2.gz IRDGCUOEZYFJGT-OAHLLOKOSA-N 1 0 335.404 2.340 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCCC[NH2+]C2)c1F ZINC001246089371 1310234146 /nfs/dbraw/zinc/23/41/46/1310234146.db2.gz DLBJAPYMTGDUFI-NWDGAFQWSA-N 1 0 325.384 2.405 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[NH2+]C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986539 1310490716 /nfs/dbraw/zinc/49/07/16/1310490716.db2.gz FCANFKYGROWFGG-HZMBPMFUSA-N 1 0 347.337 2.371 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[NH2+]C[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986571 1310490747 /nfs/dbraw/zinc/49/07/47/1310490747.db2.gz FCANFKYGROWFGG-IINYFYTJSA-N 1 0 347.337 2.371 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)o1 ZINC001123559296 1310619562 /nfs/dbraw/zinc/61/95/62/1310619562.db2.gz RNCCTFZCVBNZCH-UHFFFAOYSA-N 1 0 329.765 2.422 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)O2)n1 ZINC001247842157 1310742662 /nfs/dbraw/zinc/74/26/62/1310742662.db2.gz AFDRHNSSMCFSSU-LLVKDONJSA-N 1 0 349.322 2.153 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010847 1315453441 /nfs/dbraw/zinc/45/34/41/1315453441.db2.gz JHMDDOAAOHYWAU-KCJUWKMLSA-N 1 0 342.783 2.483 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000842514336 1315718797 /nfs/dbraw/zinc/71/87/97/1315718797.db2.gz WNYQURMFRFBHGQ-INIZCTEOSA-N 1 0 346.431 2.336 20 5 EEBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000842579278 1315725807 /nfs/dbraw/zinc/72/58/07/1315725807.db2.gz ADIUOYXZOIZUFL-SNVBAGLBSA-N 1 0 328.332 2.153 20 5 EEBDRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843079422 1315836477 /nfs/dbraw/zinc/83/64/77/1315836477.db2.gz ZXEQAXKGDTUTBK-SJLPKXTDSA-N 1 0 330.384 2.130 20 5 EEBDRO CN(Cc1nc(CC2CC[NH2+]CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000843133041 1315851208 /nfs/dbraw/zinc/85/12/08/1315851208.db2.gz NARNRHDISLHOSC-UHFFFAOYSA-N 1 0 331.376 2.156 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc(CC3CC[NH2+]CC3)no2)cc([N+](=O)[O-])c1 ZINC000843134616 1315852118 /nfs/dbraw/zinc/85/21/18/1315852118.db2.gz WBRVRPXGBMMWOE-UHFFFAOYSA-N 1 0 333.304 2.095 20 5 EEBDRO COc1cc(Cc2noc(C[NH2+]CC3CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225702 1315871116 /nfs/dbraw/zinc/87/11/16/1315871116.db2.gz NBXUUVUHTIDGJA-UHFFFAOYSA-N 1 0 348.359 2.085 20 5 EEBDRO C[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C[NH3+] ZINC000843351106 1315896893 /nfs/dbraw/zinc/89/68/93/1315896893.db2.gz GYPQEBUZLLRMCQ-ABAIWWIYSA-N 1 0 338.383 2.122 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000843351770 1315897295 /nfs/dbraw/zinc/89/72/95/1315897295.db2.gz CTJZNBNJGYZEJP-MXWKQRLJSA-N 1 0 340.811 2.257 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843354233 1315898248 /nfs/dbraw/zinc/89/82/48/1315898248.db2.gz WBIHENVXXNDPLC-GIPNMCIBSA-N 1 0 340.811 2.244 20 5 EEBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001152267510 1316651816 /nfs/dbraw/zinc/65/18/16/1316651816.db2.gz MRGUARLCWYEHMP-UHFFFAOYSA-N 1 0 337.401 2.396 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155477143 1317614614 /nfs/dbraw/zinc/61/46/14/1317614614.db2.gz FTUYWUFKKNVNIW-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCCC(C)(C)C ZINC001155702443 1317708072 /nfs/dbraw/zinc/70/80/72/1317708072.db2.gz XWDKHCUTVHBMCK-UHFFFAOYSA-N 1 0 339.440 2.141 20 5 EEBDRO Cc1cncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001156111034 1317881158 /nfs/dbraw/zinc/88/11/58/1317881158.db2.gz DGXBFXQMEDAVOF-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(C4CC4)CC3)CC2)cc1 ZINC001254475144 1318082153 /nfs/dbraw/zinc/08/21/53/1318082153.db2.gz ATWMWVYSAKICOU-UHFFFAOYSA-N 1 0 330.432 2.344 20 5 EEBDRO CCOC(=O)CN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254549123 1318118829 /nfs/dbraw/zinc/11/88/29/1318118829.db2.gz RVSYBABTAGTMNN-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)C2 ZINC001254572540 1318126424 /nfs/dbraw/zinc/12/64/24/1318126424.db2.gz PTUWSQHFZDNHOQ-HKUYNNGSSA-N 1 0 342.395 2.229 20 5 EEBDRO O=C(NCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254577899 1318129662 /nfs/dbraw/zinc/12/96/62/1318129662.db2.gz HMPPCTQJNFYDSZ-INIZCTEOSA-N 1 0 331.416 2.348 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)C2 ZINC001254587572 1318134478 /nfs/dbraw/zinc/13/44/78/1318134478.db2.gz QBCSHANDOZCRHU-JKSUJKDBSA-N 1 0 339.399 2.111 20 5 EEBDRO O=c1ccc2c([nH]1)CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254607243 1318142154 /nfs/dbraw/zinc/14/21/54/1318142154.db2.gz JVHGOORWNDDEMX-INIZCTEOSA-N 1 0 325.368 2.263 20 5 EEBDRO COc1cc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)ccc1[N+](=O)[O-] ZINC001256093733 1318646107 /nfs/dbraw/zinc/64/61/07/1318646107.db2.gz POLFEMHUSMBWAK-IYBDPMFKSA-N 1 0 347.415 2.435 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157538244 1318702933 /nfs/dbraw/zinc/70/29/33/1318702933.db2.gz YRZCSDSCFNIVFJ-UHFFFAOYSA-N 1 0 334.767 2.323 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001158137777 1319037987 /nfs/dbraw/zinc/03/79/87/1319037987.db2.gz YYVREWLRVLFYAT-UHFFFAOYSA-N 1 0 346.778 2.456 20 5 EEBDRO Cc1cnc(C[NH3+])n1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158169885 1319056506 /nfs/dbraw/zinc/05/65/06/1319056506.db2.gz RYUNFYKZLSGOMC-UHFFFAOYSA-N 1 0 328.307 2.144 20 5 EEBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])c(C)c2C)CC[NH+](C)CC1 ZINC001158572447 1319315325 /nfs/dbraw/zinc/31/53/25/1319315325.db2.gz IXTMWYQASYLAGL-UHFFFAOYSA-N 1 0 336.392 2.046 20 5 EEBDRO Cc1cc(Cl)nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001161465091 1320508454 /nfs/dbraw/zinc/50/84/54/1320508454.db2.gz YHEWAOGQMITYFP-LBPRGKRZSA-N 1 0 339.827 2.190 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001161933825 1320682731 /nfs/dbraw/zinc/68/27/31/1320682731.db2.gz CZBXSPJNCCMPSM-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO COc1ncnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c1[N+](=O)[O-] ZINC001162658481 1320923028 /nfs/dbraw/zinc/92/30/28/1320923028.db2.gz CMWYXXFGLJWWCO-UHFFFAOYSA-N 1 0 347.762 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc1Cl ZINC001162795561 1320960393 /nfs/dbraw/zinc/96/03/93/1320960393.db2.gz WTICRXNZJRTQQT-DJLDLDEBSA-N 1 0 330.722 2.056 20 5 EEBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162815515 1320966511 /nfs/dbraw/zinc/96/65/11/1320966511.db2.gz MSOMHTIUKUENQB-UHFFFAOYSA-N 1 0 338.367 2.096 20 5 EEBDRO CC(C)[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cccnc1 ZINC001163063130 1321026971 /nfs/dbraw/zinc/02/69/71/1321026971.db2.gz FJYRVTYIDPXKFO-AWEZNQCLSA-N 1 0 328.376 2.276 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001163159384 1321054364 /nfs/dbraw/zinc/05/43/64/1321054364.db2.gz IJTFIZYPHPEBJY-XNRPHZJLSA-N 1 0 328.372 2.179 20 5 EEBDRO [NH3+]Cc1ccc(-c2cn(-c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)cc1 ZINC001163215381 1321069079 /nfs/dbraw/zinc/06/90/79/1321069079.db2.gz JHZZDUCHMJEGPN-UHFFFAOYSA-N 1 0 340.299 2.209 20 5 EEBDRO CC/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163676737 1321189740 /nfs/dbraw/zinc/18/97/40/1321189740.db2.gz IYGOVMOIEAKGDZ-ACAGNQJTSA-N 1 0 349.435 2.061 20 5 EEBDRO O=C(CCc1ccccn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001163820367 1321224896 /nfs/dbraw/zinc/22/48/96/1321224896.db2.gz KOPFRSVPXFXJSR-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO C[N@H+](C1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165205275 1321472051 /nfs/dbraw/zinc/47/20/51/1321472051.db2.gz HJVPLUBQUVOZDF-MRVPVSSYSA-N 1 0 347.202 2.206 20 5 EEBDRO Nc1nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001165421298 1321522449 /nfs/dbraw/zinc/52/24/49/1321522449.db2.gz MMXDOJOLVXEIKF-KDOFPFPSSA-N 1 0 339.399 2.156 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCC1CC[NH+](C(C)C)CC1 ZINC001166637257 1321756073 /nfs/dbraw/zinc/75/60/73/1321756073.db2.gz SAPLTTGVKMDVOY-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nccc(C)c2[N+](=O)[O-])C1 ZINC001166873728 1321806567 /nfs/dbraw/zinc/80/65/67/1321806567.db2.gz CMNVQBKSRLDTIF-NSHDSACASA-N 1 0 347.444 2.487 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001263108270 1322434451 /nfs/dbraw/zinc/43/44/51/1322434451.db2.gz SNRUDQQKCYFBOC-LZLYRXPVSA-N 1 0 329.400 2.300 20 5 EEBDRO COC(=O)N1CCC(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001308750360 1331604527 /nfs/dbraw/zinc/60/45/27/1331604527.db2.gz IFUWTUBPMHDYOL-UHFFFAOYSA-N 1 0 348.359 2.304 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001317925900 1332444117 /nfs/dbraw/zinc/44/41/17/1332444117.db2.gz XZZNIGRQEWUKTG-LBPRGKRZSA-N 1 0 341.433 2.056 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001318389966 1332521834 /nfs/dbraw/zinc/52/18/34/1332521834.db2.gz KCICEAARTZLWHD-KGLIPLIRSA-N 1 0 331.376 2.074 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318389286 1332521991 /nfs/dbraw/zinc/52/19/91/1332521991.db2.gz FBHSCBFBBICQMW-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH+]1CCN(C(C)(C)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001324296630 1333652184 /nfs/dbraw/zinc/65/21/84/1333652184.db2.gz GZLKMYNDCZPHCD-UHFFFAOYSA-N 1 0 328.363 2.311 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609212825 1351894534 /nfs/dbraw/zinc/89/45/34/1351894534.db2.gz OEPORSRVSLCSRD-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001331674641 1335056650 /nfs/dbraw/zinc/05/66/50/1335056650.db2.gz QKNORWJEGCKPMN-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO CCc1nn(C)c(N2CCCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001333831416 1336144500 /nfs/dbraw/zinc/14/45/00/1336144500.db2.gz FLCJRXZYWOEMKC-UHFFFAOYSA-N 1 0 330.392 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H](F)C2)cc1 ZINC001336841711 1336603674 /nfs/dbraw/zinc/60/36/74/1336603674.db2.gz XZQLHAZZKKBDIS-VXGBXAGGSA-N 1 0 330.381 2.239 20 5 EEBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC001341642132 1337295954 /nfs/dbraw/zinc/29/59/54/1337295954.db2.gz HDOIHIQWUKJFDU-HOTGVXAUSA-N 1 0 329.400 2.300 20 5 EEBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001342483728 1337317059 /nfs/dbraw/zinc/31/70/59/1337317059.db2.gz UOXREJMWHSRIFR-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC001576017474 1343946261 /nfs/dbraw/zinc/94/62/61/1343946261.db2.gz UKOFEUAJRQRAPK-DZGCQCFKSA-N 1 0 334.420 2.338 20 5 EEBDRO COC(=O)c1cc(C(=O)Nc2ccccc2C[NH3+])cc([N+](=O)[O-])c1 ZINC001578853259 1344308893 /nfs/dbraw/zinc/30/88/93/1344308893.db2.gz QAICKPHHJZDQPG-UHFFFAOYSA-N 1 0 329.312 2.092 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083911 1349145890 /nfs/dbraw/zinc/14/58/90/1349145890.db2.gz OCRRHEBKAQXIJS-CYBMUJFWSA-N 1 0 346.391 2.211 20 5 EEBDRO CC1(C)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590101115 1349156042 /nfs/dbraw/zinc/15/60/42/1349156042.db2.gz XKRSKJBXMORBDP-UHFFFAOYSA-N 1 0 348.432 2.492 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590258864 1349231917 /nfs/dbraw/zinc/23/19/17/1349231917.db2.gz DBAJFDMOISFYQF-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001593467368 1349803422 /nfs/dbraw/zinc/80/34/22/1349803422.db2.gz PMBHEPCCACKUNC-CYBMUJFWSA-N 1 0 336.302 2.006 20 5 EEBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446428 1367994246 /nfs/dbraw/zinc/99/42/46/1367994246.db2.gz VYBRKXJXIRCCNL-AWEZNQCLSA-N 1 0 336.392 2.132 20 5 EEBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445176 1367994269 /nfs/dbraw/zinc/99/42/69/1367994269.db2.gz SZGJECGKFHLXFH-OAHLLOKOSA-N 1 0 336.392 2.132 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836648640 1372737469 /nfs/dbraw/zinc/73/74/69/1372737469.db2.gz DFUBNSWNTDMVLS-LLVKDONJSA-N 1 0 341.795 2.007 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001576606911 1403590345 /nfs/dbraw/zinc/59/03/45/1403590345.db2.gz AQQZXZDMSXYOFK-YUMQZZPRSA-N 1 0 330.291 2.150 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001578480898 1403761364 /nfs/dbraw/zinc/76/13/64/1403761364.db2.gz OHSHZVWYYYMWHB-HNNXBMFYSA-N 1 0 331.416 2.376 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165939065 1405716528 /nfs/dbraw/zinc/71/65/28/1405716528.db2.gz WNUCHIFDIHXIHS-UFBFGSQYSA-N 1 0 342.193 2.215 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000195137866 1406128073 /nfs/dbraw/zinc/12/80/73/1406128073.db2.gz IBWJGZPPQUVMRC-UHFFFAOYSA-N 1 0 342.399 2.429 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001101647048 1410714415 /nfs/dbraw/zinc/71/44/15/1410714415.db2.gz IJIDWCOGGOHAKJ-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc21 ZINC001164772400 721291562 /nfs/dbraw/zinc/29/15/62/721291562.db2.gz GBXWXMLCJZVRCW-UHFFFAOYSA-N 1 0 327.388 2.393 20 5 EEBDRO COc1ncnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165050002 721970212 /nfs/dbraw/zinc/97/02/12/721970212.db2.gz XUKLTZFQVILGTE-ZDUSSCGKSA-N 1 0 335.408 2.238 20 5 EEBDRO O=C(c1cc[nH]n1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997559889 790287817 /nfs/dbraw/zinc/28/78/17/790287817.db2.gz VOPGINZSOFXDCR-UHFFFAOYSA-N 1 0 349.416 2.021 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C3CCCCC3)C2)nc1C1C[NH2+]C1 ZINC001167068177 757122475 /nfs/dbraw/zinc/12/24/75/757122475.db2.gz OUOVVDOSYAEIMS-CYBMUJFWSA-N 1 0 331.420 2.478 20 5 EEBDRO O=C(CCC1CCOCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167580597 760436441 /nfs/dbraw/zinc/43/64/41/760436441.db2.gz FAGINCFVKQFGRU-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001167672104 761038982 /nfs/dbraw/zinc/03/89/82/761038982.db2.gz FXIXCTHCPNKKBF-UHFFFAOYSA-N 1 0 336.355 2.089 20 5 EEBDRO CC(C)Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031663102 770737291 /nfs/dbraw/zinc/73/72/91/770737291.db2.gz UDTNTNMFVRLUGC-QZTJIDSGSA-N 1 0 345.443 2.098 20 5 EEBDRO C[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000921365592 773294950 /nfs/dbraw/zinc/29/49/50/773294950.db2.gz PRBLHICKUKFYFD-CYBMUJFWSA-N 1 0 341.433 2.061 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091358310 790429184 /nfs/dbraw/zinc/42/91/84/790429184.db2.gz DRDDIVARXADVFO-OTVXOJSOSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001091397436 790547223 /nfs/dbraw/zinc/54/72/23/790547223.db2.gz AUAGDJCXWWGPPE-OKILXGFUSA-N 1 0 334.420 2.162 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000107669941 778540347 /nfs/dbraw/zinc/54/03/47/778540347.db2.gz VBWZNBQQCFNTKU-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261686636 780081153 /nfs/dbraw/zinc/08/11/53/780081153.db2.gz NGNNORCHEQEBLL-UHFFFAOYSA-N 1 0 327.384 2.329 20 5 EEBDRO O=C(COc1ccsc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171258080 790762030 /nfs/dbraw/zinc/76/20/30/790762030.db2.gz REBUYCVDVVQBRP-UHFFFAOYSA-N 1 0 349.412 2.331 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1occ2c1CCC2 ZINC001131851319 783355501 /nfs/dbraw/zinc/35/55/01/783355501.db2.gz OQUKOKVZFNLRHJ-UHFFFAOYSA-N 1 0 329.356 2.196 20 5 EEBDRO NC(=O)C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809784331 783387062 /nfs/dbraw/zinc/38/70/62/783387062.db2.gz GBPXAYSDPXCJME-SECBINFHSA-N 1 0 342.193 2.055 20 5 EEBDRO CC[N@H+](C)C[C@H](O)COc1cccc(Br)c1[N+](=O)[O-] ZINC000905981376 783615695 /nfs/dbraw/zinc/61/56/95/783615695.db2.gz UYDCOYUQTUVLEJ-VIFPVBQESA-N 1 0 333.182 2.049 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000906095223 783696645 /nfs/dbraw/zinc/69/66/45/783696645.db2.gz WAZPFWOBIFQNCI-NEPJUHHUSA-N 1 0 338.383 2.252 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000818008403 785163499 /nfs/dbraw/zinc/16/34/99/785163499.db2.gz GCRIFHXDOCUZCZ-KGLIPLIRSA-N 1 0 346.431 2.252 20 5 EEBDRO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC(C)(C)[NH2+]1 ZINC000820447372 785915208 /nfs/dbraw/zinc/91/52/08/785915208.db2.gz TXOYQUFBEPXZMY-UHFFFAOYSA-N 1 0 338.383 2.355 20 5 EEBDRO C[NH+](C)CCCC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107475013 787348461 /nfs/dbraw/zinc/34/84/61/787348461.db2.gz DUKSVAQYYTZTMQ-ARJAWSKDSA-N 1 0 338.383 2.160 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000823132522 787581528 /nfs/dbraw/zinc/58/15/28/787581528.db2.gz GAOOEIOFENZQRQ-QMMMGPOBSA-N 1 0 344.774 2.136 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823899860 787973144 /nfs/dbraw/zinc/97/31/44/787973144.db2.gz YRWFOFNZFUHKHB-BBRMVZONSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938578 787993342 /nfs/dbraw/zinc/99/33/42/787993342.db2.gz IVFSFJBNMPSDAU-YPMHNXCESA-N 1 0 333.392 2.268 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000913290764 788767557 /nfs/dbraw/zinc/76/75/57/788767557.db2.gz REKULFREBUPGSY-IRXDYDNUSA-N 1 0 333.388 2.017 20 5 EEBDRO Cc1cnoc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997142940 789101222 /nfs/dbraw/zinc/10/12/22/789101222.db2.gz RBDAKZZRRXAFME-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636438 789244786 /nfs/dbraw/zinc/24/47/86/789244786.db2.gz PNYKMYZMUMGSDG-CJNGLKHVSA-N 1 0 329.404 2.318 20 5 EEBDRO Cc1ccc(Br)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001234211891 794852680 /nfs/dbraw/zinc/85/26/80/794852680.db2.gz XGBPTLRTKOLMJF-SNVBAGLBSA-N 1 0 349.220 2.259 20 5 EEBDRO COC(=O)COc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000921686661 794898589 /nfs/dbraw/zinc/89/85/89/794898589.db2.gz MTKJDUVSZAZOGX-UHFFFAOYSA-N 1 0 344.367 2.479 20 5 EEBDRO CN(C)C(=O)c1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000921721244 795611899 /nfs/dbraw/zinc/61/18/99/795611899.db2.gz HNOXTZTUKHBVCQ-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1F)c1ccc2c[nH+]cn2c1 ZINC001093994505 795843788 /nfs/dbraw/zinc/84/37/88/795843788.db2.gz JVSVQAHQKSXYQU-UHFFFAOYSA-N 1 0 343.318 2.224 20 5 EEBDRO C[N@H+](CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001094784113 796577338 /nfs/dbraw/zinc/57/73/38/796577338.db2.gz JFWHFVQSRRMGMT-UHFFFAOYSA-N 1 0 336.436 2.491 20 5 EEBDRO CCOCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007565 797194961 /nfs/dbraw/zinc/19/49/61/797194961.db2.gz SJOHVDSAYZQVPL-UHFFFAOYSA-N 1 0 329.347 2.468 20 5 EEBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177850 797277891 /nfs/dbraw/zinc/27/78/91/797277891.db2.gz FHEFUAMFHJVIHZ-HBNTYKKESA-N 1 0 340.351 2.072 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCCN2C)c1F ZINC001173180875 797278613 /nfs/dbraw/zinc/27/86/13/797278613.db2.gz YQSOIDANSDAYIO-VXGBXAGGSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cnccn2)c1F ZINC001173189666 797281054 /nfs/dbraw/zinc/28/10/54/797281054.db2.gz PLPLBKYWJAWTPN-LLVKDONJSA-N 1 0 334.351 2.296 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCc1ccccc1 ZINC001173213897 797315887 /nfs/dbraw/zinc/31/58/87/797315887.db2.gz LRJGGEUJYRBXGP-CQSZACIVSA-N 1 0 327.384 2.432 20 5 EEBDRO CC(C)OCCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177393359 798917834 /nfs/dbraw/zinc/91/78/34/798917834.db2.gz NOWZSHUFLNWDDB-UHFFFAOYSA-N 1 0 343.449 2.457 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001086294007 802683065 /nfs/dbraw/zinc/68/30/65/802683065.db2.gz CKEXXEXTLAFCCF-YEORSEQZSA-N 1 0 346.412 2.350 20 5 EEBDRO CN(C(=O)C(F)F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005011575 803455027 /nfs/dbraw/zinc/45/50/27/803455027.db2.gz UKOAPKIHJAYLNS-UHFFFAOYSA-N 1 0 327.331 2.283 20 5 EEBDRO COC(=O)Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001168847101 803480237 /nfs/dbraw/zinc/48/02/37/803480237.db2.gz DQYVYMULKAEOSS-UHFFFAOYSA-N 1 0 340.339 2.108 20 5 EEBDRO NC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977424 803543796 /nfs/dbraw/zinc/54/37/96/803543796.db2.gz JRFCJXHEEGKSIL-HONMWMINSA-N 1 0 342.237 2.484 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC001168986242 803544320 /nfs/dbraw/zinc/54/43/20/803544320.db2.gz XGSCYSQLMJFYPH-GOEBONIOSA-N 1 0 331.416 2.391 20 5 EEBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC001168986245 803547718 /nfs/dbraw/zinc/54/77/18/803547718.db2.gz XGSCYSQLMJFYPH-HOCLYGCPSA-N 1 0 331.416 2.391 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168961931 803551183 /nfs/dbraw/zinc/55/11/83/803551183.db2.gz LHIBXSMMPFSZGH-MGPQQGTHSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168963169 803551583 /nfs/dbraw/zinc/55/15/83/803551583.db2.gz OKLBANVPSKVQCU-CHWSQXEVSA-N 1 0 327.425 2.278 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964197 803552193 /nfs/dbraw/zinc/55/21/93/803552193.db2.gz RTTKWOHKWQGIAU-IGQOVBAYSA-N 1 0 327.425 2.277 20 5 EEBDRO O=C(N1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168966608 803552737 /nfs/dbraw/zinc/55/27/37/803552737.db2.gz JTOBXOXYDPKDQE-GDBMZVCRSA-N 1 0 338.452 2.092 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001168965629 803552884 /nfs/dbraw/zinc/55/28/84/803552884.db2.gz BENMNHFZPDPCTL-MSOLQXFVSA-N 1 0 333.432 2.054 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ncnc4ccccc43)C2)C1 ZINC001168994076 803561370 /nfs/dbraw/zinc/56/13/70/803561370.db2.gz OQLMNYXGVZHODY-QLFBSQMISA-N 1 0 341.415 2.244 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)C1 ZINC001168999940 803565476 /nfs/dbraw/zinc/56/54/76/803565476.db2.gz WKYUCJHTBHVUMR-IRXDYDNUSA-N 1 0 333.432 2.456 20 5 EEBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CCO2 ZINC001169001860 803566392 /nfs/dbraw/zinc/56/63/92/803566392.db2.gz IEBJXYMJUKTXNC-CORIIIEPSA-N 1 0 334.372 2.332 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169013861 803571530 /nfs/dbraw/zinc/57/15/30/803571530.db2.gz WWXVJDVGUUMJOS-UONOGXRCSA-N 1 0 339.436 2.375 20 5 EEBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001168990722 803573884 /nfs/dbraw/zinc/57/38/84/803573884.db2.gz DSOIEHWKMWRBLV-BBWFWOEESA-N 1 0 333.432 2.305 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990905 803574435 /nfs/dbraw/zinc/57/44/35/803574435.db2.gz FHRFLJKWTOMJFD-KCXAZCMYSA-N 1 0 335.379 2.075 20 5 EEBDRO O=C(c1cccc(F)c1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991270 803574487 /nfs/dbraw/zinc/57/44/87/803574487.db2.gz GDCLTKFODZVQOC-DYVFJYSZSA-N 1 0 349.406 2.465 20 5 EEBDRO Cc1cnc(C[NH3+])n1-c1nc(C)c(Br)c(C)c1[N+](=O)[O-] ZINC001169028362 803575891 /nfs/dbraw/zinc/57/58/91/803575891.db2.gz CKZHQVATPABUJG-UHFFFAOYSA-N 1 0 340.181 2.322 20 5 EEBDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054234 803596395 /nfs/dbraw/zinc/59/63/95/803596395.db2.gz KZJVGACDVOXPTB-KBMXLJTQSA-N 1 0 329.400 2.162 20 5 EEBDRO COc1ccc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc1 ZINC001169056356 803597636 /nfs/dbraw/zinc/59/76/36/803597636.db2.gz SJIPCVVSPULFPG-ZFWWWQNUSA-N 1 0 334.420 2.094 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnoc1C1CC1 ZINC001169978318 804955502 /nfs/dbraw/zinc/95/55/02/804955502.db2.gz JQXNAWKSZVMMHZ-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO CN(CCNC(=O)CC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001100145024 807810860 /nfs/dbraw/zinc/81/08/60/807810860.db2.gz WETAXMMWXBWMNX-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCCCC2=O)c([N+](=O)[O-])c1 ZINC001170299265 809870372 /nfs/dbraw/zinc/87/03/72/809870372.db2.gz UHOWOSKSADPXNL-CYBMUJFWSA-N 1 0 335.404 2.137 20 5 EEBDRO COCCOCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170319213 809888602 /nfs/dbraw/zinc/88/86/02/809888602.db2.gz VJIFFYCBAZUZFM-ZDUSSCGKSA-N 1 0 326.393 2.177 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C(=O)N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001170325896 809891720 /nfs/dbraw/zinc/89/17/20/809891720.db2.gz BRZVMVIYFWDFKC-GFCCVEGCSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncn2CCF)c([N+](=O)[O-])c1 ZINC001170328854 809893064 /nfs/dbraw/zinc/89/30/64/809893064.db2.gz WOQGQEGMESZACF-LBPRGKRZSA-N 1 0 336.367 2.490 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170329347 809893878 /nfs/dbraw/zinc/89/38/78/809893878.db2.gz OYIKHCLHTPUEEA-YPMHNXCESA-N 1 0 344.358 2.484 20 5 EEBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355349 809902949 /nfs/dbraw/zinc/90/29/49/809902949.db2.gz AMRKUDPWPZPXDC-WFASDCNBSA-N 1 0 335.404 2.135 20 5 EEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804450278 810875732 /nfs/dbraw/zinc/87/57/32/810875732.db2.gz JJAHBXMVMAMGHX-GFCCVEGCSA-N 1 0 349.391 2.083 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1C1CC1 ZINC001130830918 812081778 /nfs/dbraw/zinc/08/17/78/812081778.db2.gz MURSILXXMPQGRM-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO COCc1csc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001130878862 812148040 /nfs/dbraw/zinc/14/80/40/812148040.db2.gz CXIAJDPROSJZDB-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302773 529661124 /nfs/dbraw/zinc/66/11/24/529661124.db2.gz DUDOKAJXLRUGFQ-HIFRSBDPSA-N 1 0 345.403 2.388 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179471407 233074799 /nfs/dbraw/zinc/07/47/99/233074799.db2.gz HGTJELKOKICNSG-UHFFFAOYSA-N 1 0 349.431 2.361 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000184073649 235299509 /nfs/dbraw/zinc/29/95/09/235299509.db2.gz LOAFXJFAEDBQNW-UHFFFAOYSA-N 1 0 336.388 2.103 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000189852823 237317951 /nfs/dbraw/zinc/31/79/51/237317951.db2.gz FHOIXGVOPRUUDD-AWEZNQCLSA-N 1 0 345.399 2.353 20 5 EEBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000191839220 239329625 /nfs/dbraw/zinc/32/96/25/239329625.db2.gz FXAFZBXUFIFDIK-ZDUSSCGKSA-N 1 0 335.404 2.326 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000193262428 240082904 /nfs/dbraw/zinc/08/29/04/240082904.db2.gz PZVZCZWHQYWVOF-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000424029596 240800913 /nfs/dbraw/zinc/80/09/13/240800913.db2.gz FVXJTXHVOLEQER-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000426848741 241346538 /nfs/dbraw/zinc/34/65/38/241346538.db2.gz ABAYWEBSCAQLNH-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000428140474 241538494 /nfs/dbraw/zinc/53/84/94/241538494.db2.gz IZPNYHIWZPARIB-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000438573236 242032293 /nfs/dbraw/zinc/03/22/93/242032293.db2.gz XBZZFXLTGJFFFK-ZDUSSCGKSA-N 1 0 348.403 2.222 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447544513 242287653 /nfs/dbraw/zinc/28/76/53/242287653.db2.gz VUYWUIGVPCVICW-QGZVFWFLSA-N 1 0 347.415 2.199 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236835033 242377056 /nfs/dbraw/zinc/37/70/56/242377056.db2.gz ZWJXSPXKIJFRKP-CYBMUJFWSA-N 1 0 344.209 2.461 20 5 EEBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000237926723 242859256 /nfs/dbraw/zinc/85/92/56/242859256.db2.gz GEIRDKCRZUZKPF-OAHLLOKOSA-N 1 0 340.383 2.380 20 5 EEBDRO C[N@H+](C[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549661 243154400 /nfs/dbraw/zinc/15/44/00/243154400.db2.gz PZCDFVLAEGNPDA-YJBOKZPZSA-N 1 0 333.432 2.229 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479572 243129101 /nfs/dbraw/zinc/12/91/01/243129101.db2.gz NMTIGFZAQSWSOW-OIISXLGYSA-N 1 0 347.415 2.351 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499643 243136175 /nfs/dbraw/zinc/13/61/75/243136175.db2.gz MKBOMFLSJWVVNZ-KNXALSJPSA-N 1 0 335.404 2.491 20 5 EEBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451948941 243319822 /nfs/dbraw/zinc/31/98/22/243319822.db2.gz VOHULJOSSNEHQV-GDBMZVCRSA-N 1 0 347.371 2.186 20 5 EEBDRO CNc1nc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454753113 243855393 /nfs/dbraw/zinc/85/53/93/243855393.db2.gz FGASLUCHLNYZLA-STQMWFEESA-N 1 0 349.435 2.129 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000456163836 244166297 /nfs/dbraw/zinc/16/62/97/244166297.db2.gz BRVYQSOZTBWDCF-UHFFFAOYSA-N 1 0 333.392 2.321 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262618139 245069155 /nfs/dbraw/zinc/06/91/55/245069155.db2.gz HDHJJTGIUCDVHM-UPJWGTAASA-N 1 0 335.429 2.428 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490052438 245838460 /nfs/dbraw/zinc/83/84/60/245838460.db2.gz ZORCAYHCLQMNFN-VIFPVBQESA-N 1 0 349.840 2.033 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266444061 248303706 /nfs/dbraw/zinc/30/37/06/248303706.db2.gz WQZMPVLSTJAVFG-LLVKDONJSA-N 1 0 344.362 2.244 20 5 EEBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523255 248343780 /nfs/dbraw/zinc/34/37/80/248343780.db2.gz CWJMEYAYWUOKLO-WBVHZDCISA-N 1 0 330.388 2.298 20 5 EEBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000266561820 248361381 /nfs/dbraw/zinc/36/13/81/248361381.db2.gz JRNSRNBISRHODF-HOCLYGCPSA-N 1 0 332.404 2.462 20 5 EEBDRO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268587686 252046711 /nfs/dbraw/zinc/04/67/11/252046711.db2.gz TYDAEEPAGPEWNK-UHFFFAOYSA-N 1 0 339.392 2.025 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268126302 256115979 /nfs/dbraw/zinc/11/59/79/256115979.db2.gz AOWYQHVWVIAAAK-SMDDNHRTSA-N 1 0 343.387 2.019 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270362671 256127453 /nfs/dbraw/zinc/12/74/53/256127453.db2.gz HJOLLMOVJLFIIP-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912591 256186937 /nfs/dbraw/zinc/18/69/37/256186937.db2.gz SPZMHFAXCHDMOI-ABAIWWIYSA-N 1 0 340.383 2.356 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000271065048 256204115 /nfs/dbraw/zinc/20/41/15/256204115.db2.gz WUCFGHSPZYJSKQ-CYBMUJFWSA-N 1 0 335.404 2.162 20 5 EEBDRO CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271137609 256211486 /nfs/dbraw/zinc/21/14/86/256211486.db2.gz OICZDORUCKZKRP-GJZGRUSLSA-N 1 0 337.445 2.031 20 5 EEBDRO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272855234 256244107 /nfs/dbraw/zinc/24/41/07/256244107.db2.gz HTYWUMXUEHGYLX-NSHDSACASA-N 1 0 339.417 2.061 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000058258231 292148118 /nfs/dbraw/zinc/14/81/18/292148118.db2.gz BLKYCXUVOIAGOY-GQCTYLIASA-N 1 0 333.363 2.301 20 5 EEBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618249 292181883 /nfs/dbraw/zinc/18/18/83/292181883.db2.gz ZVDCJVUIMKMIGT-PBHICJAKSA-N 1 0 332.404 2.453 20 5 EEBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000248544207 160350140 /nfs/dbraw/zinc/35/01/40/160350140.db2.gz IVSAVWMNFQHNJT-GVXVVHGQSA-N 1 0 332.360 2.409 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCOC ZINC000131209043 292384763 /nfs/dbraw/zinc/38/47/63/292384763.db2.gz XYOSXDLWHGZJCX-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131400874 292387183 /nfs/dbraw/zinc/38/71/83/292387183.db2.gz BVWWVJBUZSVKAS-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000046061855 158916472 /nfs/dbraw/zinc/91/64/72/158916472.db2.gz VHIAGWIWFHOHBR-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC000067269878 159009656 /nfs/dbraw/zinc/00/96/56/159009656.db2.gz NWJLPCHMDPVHGQ-LLVKDONJSA-N 1 0 338.383 2.166 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670715 159224690 /nfs/dbraw/zinc/22/46/90/159224690.db2.gz NNYPKAHDERUBFE-SNVBAGLBSA-N 1 0 329.198 2.283 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)nc1 ZINC000093534343 159236874 /nfs/dbraw/zinc/23/68/74/159236874.db2.gz PCKFPKVAQFUNKO-ZDUSSCGKSA-N 1 0 342.355 2.405 20 5 EEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185217071 160030470 /nfs/dbraw/zinc/03/04/70/160030470.db2.gz CHWDRMBEUDEBIE-UHFFFAOYSA-N 1 0 347.419 2.099 20 5 EEBDRO CCOC[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246195627 160266950 /nfs/dbraw/zinc/26/69/50/160266950.db2.gz MATNKSMIYHJTBC-CJNGLKHVSA-N 1 0 333.388 2.059 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000247991795 160336332 /nfs/dbraw/zinc/33/63/32/160336332.db2.gz KSRZOXKNUDHRAM-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340489436 160933857 /nfs/dbraw/zinc/93/38/57/160933857.db2.gz NCVREHAYDIUCKX-HUUCEWRRSA-N 1 0 330.392 2.206 20 5 EEBDRO CCN1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000342573180 161075018 /nfs/dbraw/zinc/07/50/18/161075018.db2.gz SYBSRFUOYNOKPY-UWVGGRQHSA-N 1 0 347.462 2.068 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344132120 161200916 /nfs/dbraw/zinc/20/09/16/161200916.db2.gz OSPGPMWPLZFMIE-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000345318000 161291297 /nfs/dbraw/zinc/29/12/97/161291297.db2.gz LJSTYAPYKCNZCM-IINYFYTJSA-N 1 0 344.371 2.061 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854291 161337587 /nfs/dbraw/zinc/33/75/87/161337587.db2.gz MXFBCZGFNKVLSQ-RYUDHWBXSA-N 1 0 343.330 2.201 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000345894642 161340133 /nfs/dbraw/zinc/34/01/33/161340133.db2.gz WMGFFALWPJWYLQ-HUUCEWRRSA-N 1 0 342.399 2.293 20 5 EEBDRO CC1(C)CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000346473100 161375134 /nfs/dbraw/zinc/37/51/34/161375134.db2.gz FIIRWGYDVDHDER-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO CCc1ccc([C@@H](NC[C@@H](O)C[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551141 161381242 /nfs/dbraw/zinc/38/12/42/161381242.db2.gz HFXXKWFPJAIRRZ-QAPCUYQASA-N 1 0 347.415 2.352 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351169879 161774863 /nfs/dbraw/zinc/77/48/63/161774863.db2.gz RJJGTDNGGXMBNT-DOMZBBRYSA-N 1 0 349.435 2.202 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352363396 162105940 /nfs/dbraw/zinc/10/59/40/162105940.db2.gz XSAAAQIHYYGTAI-UHFFFAOYSA-N 1 0 343.330 2.364 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352509754 162164696 /nfs/dbraw/zinc/16/46/96/162164696.db2.gz HCCQRZNQAJTGJX-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO COc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981481 163040170 /nfs/dbraw/zinc/04/01/70/163040170.db2.gz OHXVIBUUCPFECT-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000355429112 163185856 /nfs/dbraw/zinc/18/58/56/163185856.db2.gz YUSBIHAHTYTLGP-CYBMUJFWSA-N 1 0 340.445 2.473 20 5 EEBDRO CSC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000355465793 163198876 /nfs/dbraw/zinc/19/88/76/163198876.db2.gz HZIIAPXJHAAZGV-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000355730795 163284544 /nfs/dbraw/zinc/28/45/44/163284544.db2.gz HCXRXUOLKLFXRE-CQSZACIVSA-N 1 0 334.372 2.379 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000355730794 163284609 /nfs/dbraw/zinc/28/46/09/163284609.db2.gz HCXRXUOLKLFXRE-AWEZNQCLSA-N 1 0 334.372 2.379 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000358093243 163833721 /nfs/dbraw/zinc/83/37/21/163833721.db2.gz LMFFKNZCOZQSMF-OAHLLOKOSA-N 1 0 337.395 2.468 20 5 EEBDRO CC1CC[NH+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000359619447 164138190 /nfs/dbraw/zinc/13/81/90/164138190.db2.gz SKZFYFWMMPYLBD-UHFFFAOYSA-N 1 0 333.388 2.048 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000364765687 165264565 /nfs/dbraw/zinc/26/45/65/165264565.db2.gz YAQOLQOAYGVMFQ-DYVFJYSZSA-N 1 0 349.387 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374408874 167036803 /nfs/dbraw/zinc/03/68/03/167036803.db2.gz AOKUKNPSVSFHHU-KGLIPLIRSA-N 1 0 333.388 2.200 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376622889 167362322 /nfs/dbraw/zinc/36/23/22/167362322.db2.gz YCAHTMZOHRDWIX-ZDUSSCGKSA-N 1 0 333.388 2.107 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000123910119 222350240 /nfs/dbraw/zinc/35/02/40/222350240.db2.gz ACMLSHRPGGQOSU-VIFPVBQESA-N 1 0 347.293 2.018 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000124207899 222392006 /nfs/dbraw/zinc/39/20/06/222392006.db2.gz BYWDXGUHCUHTCC-AAEUAGOBSA-N 1 0 342.399 2.360 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000357315118 287631366 /nfs/dbraw/zinc/63/13/66/287631366.db2.gz NBNNZCJLKJAHEP-IGCXYCKISA-N 1 0 346.431 2.311 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270144552 268794794 /nfs/dbraw/zinc/79/47/94/268794794.db2.gz QJHAJVPBOKGFLL-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO COCCC[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000275508496 269120184 /nfs/dbraw/zinc/12/01/84/269120184.db2.gz SEIVYWFFYLGOCB-UHFFFAOYSA-N 1 0 349.387 2.123 20 5 EEBDRO O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000275520791 269121019 /nfs/dbraw/zinc/12/10/19/269121019.db2.gz VGEDOYMYWCVEAL-LSDHHAIUSA-N 1 0 337.351 2.316 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000280195419 269336660 /nfs/dbraw/zinc/33/66/60/269336660.db2.gz BCKHNQCSKQHUJM-SECBINFHSA-N 1 0 331.319 2.025 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894461 274119070 /nfs/dbraw/zinc/11/90/70/274119070.db2.gz CFRDROMBARUZHS-KSYCFECVSA-N 1 0 345.399 2.469 20 5 EEBDRO COc1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271608203 274144975 /nfs/dbraw/zinc/14/49/75/274144975.db2.gz JOKYADRICMCGNK-TZMCWYRMSA-N 1 0 329.397 2.224 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000105790510 274271305 /nfs/dbraw/zinc/27/13/05/274271305.db2.gz QTBCGCZMFNVABI-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)(C)C ZINC000279419125 274475863 /nfs/dbraw/zinc/47/58/63/274475863.db2.gz LGFDSKIRRXHPPM-AWEZNQCLSA-N 1 0 340.399 2.412 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000280692365 274585968 /nfs/dbraw/zinc/58/59/68/274585968.db2.gz ZQVSKYOWQWQXLG-CYBMUJFWSA-N 1 0 335.404 2.130 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1C ZINC000189441128 274665892 /nfs/dbraw/zinc/66/58/92/274665892.db2.gz AELFRLIGZPBWHN-JTQLQIEISA-N 1 0 349.366 2.455 20 5 EEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000286504139 274878739 /nfs/dbraw/zinc/87/87/39/274878739.db2.gz ULIAXWLRHGKFPD-HOTGVXAUSA-N 1 0 347.415 2.229 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422693862 274956201 /nfs/dbraw/zinc/95/62/01/274956201.db2.gz MUJZMDIAJPKKJD-LLVKDONJSA-N 1 0 339.370 2.384 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230135189 274958398 /nfs/dbraw/zinc/95/83/98/274958398.db2.gz ZJSLBLOWJCFPES-INTQDDNPSA-N 1 0 341.209 2.316 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453577 275059961 /nfs/dbraw/zinc/05/99/61/275059961.db2.gz PPDWDDZZDZBRAC-CMPLNLGQSA-N 1 0 336.367 2.015 20 5 EEBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289438921 275115913 /nfs/dbraw/zinc/11/59/13/275115913.db2.gz OFRLXORJPIEWOO-WBVHZDCISA-N 1 0 348.403 2.244 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289479076 275119730 /nfs/dbraw/zinc/11/97/30/275119730.db2.gz QFXBLNRTGBIFHE-UHFFFAOYSA-N 1 0 345.346 2.008 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290277609 275194369 /nfs/dbraw/zinc/19/43/69/275194369.db2.gz LZKXYIZQHXNZLH-CYBMUJFWSA-N 1 0 328.434 2.329 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291774933 275339020 /nfs/dbraw/zinc/33/90/20/275339020.db2.gz LWZMTTWUKRJTAX-CYBMUJFWSA-N 1 0 332.360 2.126 20 5 EEBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292332778 275413095 /nfs/dbraw/zinc/41/30/95/275413095.db2.gz JWKASDPTEIUPIK-SECBINFHSA-N 1 0 344.209 2.285 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000133480121 276300568 /nfs/dbraw/zinc/30/05/68/276300568.db2.gz WDPIDLANVWJHOC-OCCSQVGLSA-N 1 0 348.403 2.087 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150880522 277258689 /nfs/dbraw/zinc/25/86/89/277258689.db2.gz VOJOXNMNCAZSPL-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237416720 278246271 /nfs/dbraw/zinc/24/62/71/278246271.db2.gz DXZXSNIFFYAHJA-VIFPVBQESA-N 1 0 348.325 2.221 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000070175056 278313775 /nfs/dbraw/zinc/31/37/75/278313775.db2.gz UQLWDFFYPUJVJE-RKDXNWHRSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000237436508 279223905 /nfs/dbraw/zinc/22/39/05/279223905.db2.gz OHCTYJWHCAGOAX-SUMWQHHRSA-N 1 0 342.399 2.459 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236651560 280655485 /nfs/dbraw/zinc/65/54/85/280655485.db2.gz NTYFHPIBDIQBDV-CQSZACIVSA-N 1 0 343.449 2.206 20 5 EEBDRO CCc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270606214 281399782 /nfs/dbraw/zinc/39/97/82/281399782.db2.gz DSCUSRRNDDDALE-GJZGRUSLSA-N 1 0 337.445 2.275 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913026 293076242 /nfs/dbraw/zinc/07/62/42/293076242.db2.gz LAAKNPFPQGVCDU-ZYHUDNBSSA-N 1 0 336.310 2.494 20 5 EEBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)[N@H+]1C ZINC000293386261 293196178 /nfs/dbraw/zinc/19/61/78/293196178.db2.gz KFJOVBGGOZPBTP-TXEJJXNPSA-N 1 0 331.376 2.169 20 5 EEBDRO COCCC[NH+]1CCC(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293722179 293278926 /nfs/dbraw/zinc/27/89/26/293278926.db2.gz MNBKAPJDWAFHFP-CYBMUJFWSA-N 1 0 336.436 2.329 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000294912756 293578682 /nfs/dbraw/zinc/57/86/82/293578682.db2.gz SKVHSCHVURICQC-AWEZNQCLSA-N 1 0 334.420 2.435 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000295218105 293650438 /nfs/dbraw/zinc/65/04/38/293650438.db2.gz XKXZTQAOFGRVNK-UHFFFAOYSA-N 1 0 335.404 2.484 20 5 EEBDRO O=C(CC[NH2+][C@H](CCO)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000299442312 294744177 /nfs/dbraw/zinc/74/41/77/294744177.db2.gz VYIACJRKJNARSJ-CYBMUJFWSA-N 1 0 333.344 2.230 20 5 EEBDRO C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000301140358 294827257 /nfs/dbraw/zinc/82/72/57/294827257.db2.gz DZJDAIQCJSJTJC-NSHDSACASA-N 1 0 331.376 2.387 20 5 EEBDRO CSc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000346304878 312272379 /nfs/dbraw/zinc/27/23/79/312272379.db2.gz YQGDXFCGLFQDFE-MRXNPFEDSA-N 1 0 335.429 2.485 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418378665 313798288 /nfs/dbraw/zinc/79/82/88/313798288.db2.gz ANRXSPLFYQKLPM-GOEBONIOSA-N 1 0 334.420 2.467 20 5 EEBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430549217 314542826 /nfs/dbraw/zinc/54/28/26/314542826.db2.gz IASCWAZRWYULAU-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449200470 315431678 /nfs/dbraw/zinc/43/16/78/315431678.db2.gz HERGGGBIGOTNDL-KBPBESRZSA-N 1 0 333.388 2.065 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000507272159 316376913 /nfs/dbraw/zinc/37/69/13/316376913.db2.gz KEMZERREXPUCKE-GBIKHYSHSA-N 1 0 339.417 2.272 20 5 EEBDRO CN(C)C(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000523851049 317003818 /nfs/dbraw/zinc/00/38/18/317003818.db2.gz INUSGXRQSJLGCR-QGZVFWFLSA-N 1 0 343.383 2.393 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000539047713 318051100 /nfs/dbraw/zinc/05/11/00/318051100.db2.gz RFAWBZSFIRUEJM-GFCCVEGCSA-N 1 0 343.449 2.272 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000540908451 318082667 /nfs/dbraw/zinc/08/26/67/318082667.db2.gz UFUOZRNNIJHKMV-SNVBAGLBSA-N 1 0 343.330 2.268 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000542910175 318147344 /nfs/dbraw/zinc/14/73/44/318147344.db2.gz PPRSPXOQKZFXBE-INIZCTEOSA-N 1 0 335.404 2.373 20 5 EEBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000562593336 318900652 /nfs/dbraw/zinc/90/06/52/318900652.db2.gz ISXCTDTUCNWIJE-IHRRRGAJSA-N 1 0 337.424 2.169 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792214 319110165 /nfs/dbraw/zinc/11/01/65/319110165.db2.gz CXWZZDMRXHCJFA-YEWDVWPNSA-N 1 0 344.367 2.446 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000564830864 319115535 /nfs/dbraw/zinc/11/55/35/319115535.db2.gz KMYORQXRTFQKMH-GOEBONIOSA-N 1 0 340.383 2.122 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000565005191 319137392 /nfs/dbraw/zinc/13/73/92/319137392.db2.gz RJTGPRUMRNLXPD-HTQZYQBOSA-N 1 0 330.182 2.213 20 5 EEBDRO C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000565665693 319203046 /nfs/dbraw/zinc/20/30/46/319203046.db2.gz MQUYHZKVAMAYTD-XDTLVQLUSA-N 1 0 332.360 2.455 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000566114268 319246783 /nfs/dbraw/zinc/24/67/83/319246783.db2.gz DXMOAROOKAZNMC-DZGCQCFKSA-N 1 0 336.388 2.026 20 5 EEBDRO Cc1c(C)c(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1C ZINC000566673666 319310593 /nfs/dbraw/zinc/31/05/93/319310593.db2.gz WFZAWRMUMQFAJA-QGZVFWFLSA-N 1 0 346.431 2.484 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000576576932 320184592 /nfs/dbraw/zinc/18/45/92/320184592.db2.gz PBWPNSUPAPHOCI-QGZVFWFLSA-N 1 0 341.367 2.390 20 5 EEBDRO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 ZINC000182807316 323389047 /nfs/dbraw/zinc/38/90/47/323389047.db2.gz RXDGEGBLZXBRBZ-NEPJUHHUSA-N 1 0 334.351 2.486 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000581702051 324304612 /nfs/dbraw/zinc/30/46/12/324304612.db2.gz NOYDWVGWNLVJGW-LLVKDONJSA-N 1 0 338.383 2.006 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1Cc2ccccc2C1 ZINC000581999072 324357470 /nfs/dbraw/zinc/35/74/70/324357470.db2.gz PGQDIDURKMJESQ-INIZCTEOSA-N 1 0 328.368 2.092 20 5 EEBDRO CC(C)(C)c1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000583182439 324609484 /nfs/dbraw/zinc/60/94/84/324609484.db2.gz WLOKEFLIDADTDF-QGZVFWFLSA-N 1 0 346.431 2.282 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000583853404 324745150 /nfs/dbraw/zinc/74/51/50/324745150.db2.gz NZJCJMXYTXBTDQ-WQVCFCJDSA-N 1 0 333.388 2.245 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CC(F)(F)F ZINC000358348711 465073332 /nfs/dbraw/zinc/07/33/32/465073332.db2.gz CXYKSKARBKJFKY-MWLCHTKSSA-N 1 0 349.309 2.215 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000296408641 465186036 /nfs/dbraw/zinc/18/60/36/465186036.db2.gz JFMJMFSWHYESIG-UHFFFAOYSA-N 1 0 346.431 2.453 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351509509 465192736 /nfs/dbraw/zinc/19/27/36/465192736.db2.gz BDKBHBMYXWVKOZ-UHFFFAOYSA-N 1 0 336.392 2.169 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000520799070 468271153 /nfs/dbraw/zinc/27/11/53/468271153.db2.gz FBTKZRDUTIBDHB-CJNGLKHVSA-N 1 0 348.330 2.197 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000074325685 462587086 /nfs/dbraw/zinc/58/70/86/462587086.db2.gz XFJOYAQCFHXLGO-OAHLLOKOSA-N 1 0 346.431 2.197 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000113515052 462600040 /nfs/dbraw/zinc/60/00/40/462600040.db2.gz RYPOFXYDMPCCIW-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@H](O)CSCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000128856783 462676232 /nfs/dbraw/zinc/67/62/32/462676232.db2.gz AWTFAOIMBRUZSG-ZENOOKHLSA-N 1 0 340.445 2.298 20 5 EEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000046600771 462691386 /nfs/dbraw/zinc/69/13/86/462691386.db2.gz IIRSVTKOAZIAQR-INIZCTEOSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCCCC1 ZINC000064301210 462692727 /nfs/dbraw/zinc/69/27/27/462692727.db2.gz RSYWDZCWMYEENP-LLVKDONJSA-N 1 0 338.383 2.168 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000064354761 462698258 /nfs/dbraw/zinc/69/82/58/462698258.db2.gz RFIJUDCUMWUTAS-UHFFFAOYSA-N 1 0 349.435 2.355 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089930683 462746267 /nfs/dbraw/zinc/74/62/67/462746267.db2.gz NYDHJRBZCLEPKN-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075745818 462755927 /nfs/dbraw/zinc/75/59/27/462755927.db2.gz BAPHQTBYPSUEKM-LXZKKBNFSA-N 1 0 330.388 2.030 20 5 EEBDRO Cc1ccccc1OCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511195 462795250 /nfs/dbraw/zinc/79/52/50/462795250.db2.gz ATKOMRYJSLNWFW-UHFFFAOYSA-N 1 0 331.372 2.076 20 5 EEBDRO COc1cc(C)c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090539802 462795926 /nfs/dbraw/zinc/79/59/26/462795926.db2.gz JTYNGTBEIAROPL-LBPRGKRZSA-N 1 0 334.376 2.468 20 5 EEBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090525803 462796164 /nfs/dbraw/zinc/79/61/64/462796164.db2.gz LXSLRZOAFXFYML-UHFFFAOYSA-N 1 0 331.372 2.206 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065858180 462833725 /nfs/dbraw/zinc/83/37/25/462833725.db2.gz AENYILCNQPUMMG-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155761091 462940008 /nfs/dbraw/zinc/94/00/08/462940008.db2.gz OIVCSOYKZCRMDE-ABAIWWIYSA-N 1 0 348.359 2.059 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120882589 463049964 /nfs/dbraw/zinc/04/99/64/463049964.db2.gz HSEOUHFRWGDDRM-MRXNPFEDSA-N 1 0 348.447 2.414 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000077965626 463075767 /nfs/dbraw/zinc/07/57/67/463075767.db2.gz QVWZWSKLEDFGEX-GFCCVEGCSA-N 1 0 334.376 2.063 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000157323772 463120035 /nfs/dbraw/zinc/12/00/35/463120035.db2.gz NYSWTIROMMZDQL-CZUORRHYSA-N 1 0 335.379 2.219 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000069000819 463197150 /nfs/dbraw/zinc/19/71/50/463197150.db2.gz YPFWMJBSGCSJDY-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000080747823 463352015 /nfs/dbraw/zinc/35/20/15/463352015.db2.gz NSNLZQHWNKYNFL-QWRGUYRKSA-N 1 0 335.360 2.382 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000072608833 463524883 /nfs/dbraw/zinc/52/48/83/463524883.db2.gz JQOSKADKSVJFHZ-SJORKVTESA-N 1 0 348.378 2.422 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000162790897 463538454 /nfs/dbraw/zinc/53/84/54/463538454.db2.gz HITXPWCHPPDBMY-NSHDSACASA-N 1 0 339.392 2.249 20 5 EEBDRO O=C(CC[NH2+]Cc1cnc2n1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000579465786 468362640 /nfs/dbraw/zinc/36/26/40/468362640.db2.gz KNSQCGGMXNFFDD-UHFFFAOYSA-N 1 0 343.387 2.246 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579473843 468364477 /nfs/dbraw/zinc/36/44/77/468364477.db2.gz PRURECHBGUFCRD-YUMQZZPRSA-N 1 0 332.307 2.444 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000152002093 463629324 /nfs/dbraw/zinc/62/93/24/463629324.db2.gz MWENBQINSQTWMW-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO CC(C)(C)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000109331943 463639859 /nfs/dbraw/zinc/63/98/59/463639859.db2.gz HQBWCZWOUZWLPJ-OAHLLOKOSA-N 1 0 346.387 2.282 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000109747524 463647784 /nfs/dbraw/zinc/64/77/84/463647784.db2.gz CPUGXHXZUHBTCI-UHFFFAOYSA-N 1 0 349.431 2.214 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000152528323 463700702 /nfs/dbraw/zinc/70/07/02/463700702.db2.gz NRVBGLLPOSIZPI-CQSZACIVSA-N 1 0 337.420 2.366 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846966 463722880 /nfs/dbraw/zinc/72/28/80/463722880.db2.gz BDJRSKYCFZUOJW-CJNGLKHVSA-N 1 0 346.431 2.261 20 5 EEBDRO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000184973627 463727539 /nfs/dbraw/zinc/72/75/39/463727539.db2.gz XFFYOWFMLJKQIT-WCQYABFASA-N 1 0 337.401 2.450 20 5 EEBDRO C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185036005 463740083 /nfs/dbraw/zinc/74/00/83/463740083.db2.gz JDNMOMYKQXZEGP-LBPRGKRZSA-N 1 0 335.379 2.392 20 5 EEBDRO C[C@H](C[S@@](C)=O)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118540 463754833 /nfs/dbraw/zinc/75/48/33/463754833.db2.gz JDBVBVGJLRGEIV-QVQLBTGDSA-N 1 0 337.401 2.449 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287009160 463771460 /nfs/dbraw/zinc/77/14/60/463771460.db2.gz RJCLATVGXHYSGE-RHSMWYFYSA-N 1 0 346.431 2.116 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000283233000 463813626 /nfs/dbraw/zinc/81/36/26/463813626.db2.gz UHOWJXXXYMGFBX-ZJUUUORDSA-N 1 0 328.340 2.420 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000287155881 463817441 /nfs/dbraw/zinc/81/74/41/463817441.db2.gz NQQJJNFTABAVDM-LSDHHAIUSA-N 1 0 346.431 2.116 20 5 EEBDRO Cc1cc(N2CC[C@@H](C)S(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276974254 463827399 /nfs/dbraw/zinc/82/73/99/463827399.db2.gz GFLFOHRWBAPKSL-GFCCVEGCSA-N 1 0 349.412 2.465 20 5 EEBDRO CCC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965971 463830071 /nfs/dbraw/zinc/83/00/71/463830071.db2.gz YJPCWPWFLBSYCV-DLBZAZTESA-N 1 0 348.447 2.365 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1OC ZINC000261718395 463837655 /nfs/dbraw/zinc/83/76/55/463837655.db2.gz JJOJDSAGKPYZRJ-SECBINFHSA-N 1 0 336.348 2.203 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000178150950 463853628 /nfs/dbraw/zinc/85/36/28/463853628.db2.gz YOBKJYXBYGGTPM-HNNXBMFYSA-N 1 0 346.362 2.349 20 5 EEBDRO Cc1cccc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194754134 463923782 /nfs/dbraw/zinc/92/37/82/463923782.db2.gz JEXDSXNRRDNZNU-OKILXGFUSA-N 1 0 335.404 2.084 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000287565593 463929320 /nfs/dbraw/zinc/92/93/20/463929320.db2.gz QJNJJVNGMBWIAO-TZMCWYRMSA-N 1 0 343.387 2.101 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262042333 463932513 /nfs/dbraw/zinc/93/25/13/463932513.db2.gz QHSZJBASNKCUJI-OAHLLOKOSA-N 1 0 341.795 2.214 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cc2ccccc2)n1 ZINC000554089569 468388142 /nfs/dbraw/zinc/38/81/42/468388142.db2.gz FYNCAMNWBWZVPQ-ZACQAIPSSA-N 1 0 344.415 2.468 20 5 EEBDRO CCOC(=O)c1ccnc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000172365233 464064603 /nfs/dbraw/zinc/06/46/03/464064603.db2.gz LAZIAUZYWAKUMG-UHFFFAOYSA-N 1 0 348.403 2.453 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179136489 464065027 /nfs/dbraw/zinc/06/50/27/464065027.db2.gz ZRHOTTSPSXIYIY-CYBMUJFWSA-N 1 0 349.387 2.259 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000269770440 464088170 /nfs/dbraw/zinc/08/81/70/464088170.db2.gz ARNXZVRHZWSBSO-SMDDNHRTSA-N 1 0 332.360 2.380 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179765709 464183788 /nfs/dbraw/zinc/18/37/88/464183788.db2.gz RHLOXXNLZXDQGC-KRWDZBQOSA-N 1 0 344.371 2.303 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000284424839 464186302 /nfs/dbraw/zinc/18/63/02/464186302.db2.gz OXTRISZEABWKPL-NEPJUHHUSA-N 1 0 333.388 2.349 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000188119412 464205035 /nfs/dbraw/zinc/20/50/35/464205035.db2.gz ZBEAACBRXCFICK-UHFFFAOYSA-N 1 0 338.383 2.264 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000180009368 464223578 /nfs/dbraw/zinc/22/35/78/464223578.db2.gz GVXLTHNCAAQJOI-DLBZAZTESA-N 1 0 346.431 2.498 20 5 EEBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236947663 464242771 /nfs/dbraw/zinc/24/27/71/464242771.db2.gz WLQRCGLAMJTNOQ-MLGOLLRUSA-N 1 0 335.404 2.338 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280885589 464264275 /nfs/dbraw/zinc/26/42/75/464264275.db2.gz UOYZZHOYUOUMRT-CQSZACIVSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000237477408 464326353 /nfs/dbraw/zinc/32/63/53/464326353.db2.gz IQNZUIMSLIIQMV-ZIAGYGMSSA-N 1 0 346.431 2.123 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CC[NH2+]CC1 ZINC000237629966 464354415 /nfs/dbraw/zinc/35/44/15/464354415.db2.gz DBEULSRRPFUSMR-JTQLQIEISA-N 1 0 341.795 2.226 20 5 EEBDRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174071428 464357323 /nfs/dbraw/zinc/35/73/23/464357323.db2.gz PKJZYTVMTQDQRL-CQSZACIVSA-N 1 0 327.812 2.137 20 5 EEBDRO [NH3+]CCCCCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237976453 464414803 /nfs/dbraw/zinc/41/48/03/464414803.db2.gz IIVLWXNNFVRNMU-UHFFFAOYSA-N 1 0 334.420 2.153 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238021596 464419157 /nfs/dbraw/zinc/41/91/57/464419157.db2.gz GUOXWJHUMGYYOZ-INIZCTEOSA-N 1 0 331.416 2.423 20 5 EEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000281397891 464438550 /nfs/dbraw/zinc/43/85/50/464438550.db2.gz XISNMTPKNBCKCG-QGZVFWFLSA-N 1 0 336.388 2.387 20 5 EEBDRO Cc1cc(OCC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000281453527 464459808 /nfs/dbraw/zinc/45/98/08/464459808.db2.gz REGATBKFMNRBJM-CQSZACIVSA-N 1 0 335.404 2.082 20 5 EEBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CC[NH+](C)CC1 ZINC000264798751 464470405 /nfs/dbraw/zinc/47/04/05/464470405.db2.gz CAFAVRBBAXSHQY-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO CC[N@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294474547 464511415 /nfs/dbraw/zinc/51/14/15/464511415.db2.gz FMCNFHXQWNKODE-UHFFFAOYSA-N 1 0 333.388 2.158 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294515766 464523108 /nfs/dbraw/zinc/52/31/08/464523108.db2.gz STIZIOPISICRKD-UHFFFAOYSA-N 1 0 343.387 2.199 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000245921182 464526891 /nfs/dbraw/zinc/52/68/91/464526891.db2.gz GZJBTFZASCCWHC-GOEBONIOSA-N 1 0 332.404 2.221 20 5 EEBDRO Cc1nc(N2CC[NH+](CCc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000294796805 464607768 /nfs/dbraw/zinc/60/77/68/464607768.db2.gz BXSMUNGVAOVJPF-UHFFFAOYSA-N 1 0 333.417 2.119 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281881718 464620615 /nfs/dbraw/zinc/62/06/15/464620615.db2.gz GHHZRRGQPCPVQA-NSHDSACASA-N 1 0 336.348 2.012 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272459754 464620755 /nfs/dbraw/zinc/62/07/55/464620755.db2.gz DGHOARCSRGUNFZ-ZDUSSCGKSA-N 1 0 327.331 2.239 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccsc1 ZINC000272462288 464622157 /nfs/dbraw/zinc/62/21/57/464622157.db2.gz OPZVEDPBCQCZFS-ZDUSSCGKSA-N 1 0 334.401 2.271 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272498678 464633774 /nfs/dbraw/zinc/63/37/74/464633774.db2.gz NRLAFAVUILHAJP-PXAZEXFGSA-N 1 0 342.399 2.171 20 5 EEBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285692140 464661272 /nfs/dbraw/zinc/66/12/72/464661272.db2.gz GYRXNXQODHPCGX-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)c1 ZINC000182679397 464707822 /nfs/dbraw/zinc/70/78/22/464707822.db2.gz OJYMJGGIGCTQQF-MOPGFXCFSA-N 1 0 339.395 2.375 20 5 EEBDRO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265851460 464708806 /nfs/dbraw/zinc/70/88/06/464708806.db2.gz XOFZMIXCJHOAQV-CYBMUJFWSA-N 1 0 331.416 2.473 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000265918581 464733850 /nfs/dbraw/zinc/73/38/50/464733850.db2.gz KLQCDUNIMUSRFD-UHFFFAOYSA-N 1 0 345.424 2.485 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190890037 464741469 /nfs/dbraw/zinc/74/14/69/464741469.db2.gz XWECFBFDMJUPJT-UHFFFAOYSA-N 1 0 348.363 2.006 20 5 EEBDRO CN(C(=O)CN1CCC[C@H](c2ncc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266943415 464879962 /nfs/dbraw/zinc/87/99/62/464879962.db2.gz RXPMQZYMDCSXDE-ZDUSSCGKSA-N 1 0 343.387 2.160 20 5 EEBDRO CCn1cc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000276299062 464881241 /nfs/dbraw/zinc/88/12/41/464881241.db2.gz JPWHCNJOZXPFDH-UHFFFAOYSA-N 1 0 329.404 2.176 20 5 EEBDRO C[N@@H+](Cc1cc2ccccc2o1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266954935 464884303 /nfs/dbraw/zinc/88/43/03/464884303.db2.gz VPZNMLCPHMNXQI-AWEZNQCLSA-N 1 0 330.344 2.030 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000286516726 464945323 /nfs/dbraw/zinc/94/53/23/464945323.db2.gz BBUYFVNQFZIUFF-GOEBONIOSA-N 1 0 346.431 2.406 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000347935195 465319341 /nfs/dbraw/zinc/31/93/41/465319341.db2.gz ZVJDSFGTFNZRTH-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1cc(C)c(C[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000337359314 465327436 /nfs/dbraw/zinc/32/74/36/465327436.db2.gz CFICSSHSFICBNS-ZDUSSCGKSA-N 1 0 348.403 2.338 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000356975632 465671481 /nfs/dbraw/zinc/67/14/81/465671481.db2.gz BHZMMZDPADIIAZ-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344640106 465742498 /nfs/dbraw/zinc/74/24/98/465742498.db2.gz IDNAWLBRIGXNEY-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000361220672 465844097 /nfs/dbraw/zinc/84/40/97/465844097.db2.gz MCZKJVYAHIFRDF-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348921096 465873978 /nfs/dbraw/zinc/87/39/78/465873978.db2.gz QMXWCZDQOVTEIB-KRWDZBQOSA-N 1 0 347.415 2.449 20 5 EEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366722719 465896721 /nfs/dbraw/zinc/89/67/21/465896721.db2.gz KTCHKOHGEFJOSW-HNNXBMFYSA-N 1 0 349.435 2.095 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000362711655 465962808 /nfs/dbraw/zinc/96/28/08/465962808.db2.gz MMXLXMKWPNBDGL-BBWFWOEESA-N 1 0 338.404 2.456 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346238251 466016914 /nfs/dbraw/zinc/01/69/14/466016914.db2.gz OHVSMRRZPMZZBH-WOSRLPQWSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C([C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331370028 466050361 /nfs/dbraw/zinc/05/03/61/466050361.db2.gz HXVISTCYKMMZAL-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO C[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451363 466089467 /nfs/dbraw/zinc/08/94/67/466089467.db2.gz ZEHDOOYXWHVFJN-MMPTUQATSA-N 1 0 335.379 2.436 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363018358 466179353 /nfs/dbraw/zinc/17/93/53/466179353.db2.gz STFCMXDQNDUVFO-NEPJUHHUSA-N 1 0 334.376 2.352 20 5 EEBDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202880 466188852 /nfs/dbraw/zinc/18/88/52/466188852.db2.gz ZUJDZHIMZGATPR-WBVHZDCISA-N 1 0 332.448 2.365 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332056372 466364425 /nfs/dbraw/zinc/36/44/25/466364425.db2.gz OSKJFJSMLWMXSI-BBRMVZONSA-N 1 0 332.404 2.139 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372433817 466379648 /nfs/dbraw/zinc/37/96/48/466379648.db2.gz PXDVZKLXPIQBTK-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332127621 466401347 /nfs/dbraw/zinc/40/13/47/466401347.db2.gz NISNSEMRZLKHNU-CABCVRRESA-N 1 0 347.415 2.168 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000358093242 466448747 /nfs/dbraw/zinc/44/87/47/466448747.db2.gz LMFFKNZCOZQSMF-HNNXBMFYSA-N 1 0 337.395 2.468 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332380065 466535476 /nfs/dbraw/zinc/53/54/76/466535476.db2.gz GHWODJNBWKNQDW-IRXDYDNUSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000332389556 466538501 /nfs/dbraw/zinc/53/85/01/466538501.db2.gz LFXZMTVSSDFDFY-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354420025 466554835 /nfs/dbraw/zinc/55/48/35/466554835.db2.gz DHCULPOVDQQXIY-KBPBESRZSA-N 1 0 335.404 2.305 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000350736298 466592252 /nfs/dbraw/zinc/59/22/52/466592252.db2.gz JRZQYAGCNSZOPG-UHFFFAOYSA-N 1 0 345.403 2.359 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000368521313 466658057 /nfs/dbraw/zinc/65/80/57/466658057.db2.gz DPKLDSDQULIBOP-HNNXBMFYSA-N 1 0 349.431 2.148 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000415428548 466675442 /nfs/dbraw/zinc/67/54/42/466675442.db2.gz ACRZJPAUBKVLQW-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365363260 466792708 /nfs/dbraw/zinc/79/27/08/466792708.db2.gz YIYAZPKWWJEORE-ZOWXZIJZSA-N 1 0 335.429 2.286 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417234439 466811979 /nfs/dbraw/zinc/81/19/79/466811979.db2.gz PSUUKJDOKQGMRT-HZPDHXFCSA-N 1 0 346.431 2.168 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c1 ZINC000423962611 466929321 /nfs/dbraw/zinc/92/93/21/466929321.db2.gz OSZXYSNUHWITBF-HNNXBMFYSA-N 1 0 349.387 2.019 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424010656 466950186 /nfs/dbraw/zinc/95/01/86/466950186.db2.gz YCAYKCQFRZAYFF-KRWDZBQOSA-N 1 0 341.367 2.147 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424031309 466957874 /nfs/dbraw/zinc/95/78/74/466957874.db2.gz HESMTRGDEGSXHD-KRWDZBQOSA-N 1 0 331.416 2.374 20 5 EEBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000365843981 466959466 /nfs/dbraw/zinc/95/94/66/466959466.db2.gz SBOBUBRLDYLKFL-AWEZNQCLSA-N 1 0 330.392 2.071 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000412379566 467077533 /nfs/dbraw/zinc/07/75/33/467077533.db2.gz OSLJTDXWHCILOR-DZGCQCFKSA-N 1 0 333.388 2.158 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418547514 467126461 /nfs/dbraw/zinc/12/64/61/467126461.db2.gz YNRDALPGYYETPK-UHFFFAOYSA-N 1 0 330.388 2.189 20 5 EEBDRO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000432313344 467230769 /nfs/dbraw/zinc/23/07/69/467230769.db2.gz NCQRBNZZMTXCEP-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO CC[C@@H]1CN(CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451927995 467285906 /nfs/dbraw/zinc/28/59/06/467285906.db2.gz CTORYUWIWYRIOG-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452123150 467332171 /nfs/dbraw/zinc/33/21/71/467332171.db2.gz VBSUWBPZKSAHSD-OAHLLOKOSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405339453 467480777 /nfs/dbraw/zinc/48/07/77/467480777.db2.gz HDFMFDDEIOPOQB-SMDDNHRTSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000449144677 467620509 /nfs/dbraw/zinc/62/05/09/467620509.db2.gz JNENLGHOFPKMIS-PWSUYJOCSA-N 1 0 345.321 2.279 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000449321199 467630821 /nfs/dbraw/zinc/63/08/21/467630821.db2.gz LESTYFRZTUSJAI-CYBMUJFWSA-N 1 0 340.445 2.473 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449395885 467638669 /nfs/dbraw/zinc/63/86/69/467638669.db2.gz JVQDNRSGAUZDDA-JMPLCFMRSA-N 1 0 333.432 2.435 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449690704 467690806 /nfs/dbraw/zinc/69/08/06/467690806.db2.gz QZGCIEKAIRRFKY-HUUCEWRRSA-N 1 0 347.415 2.455 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449752620 467707051 /nfs/dbraw/zinc/70/70/51/467707051.db2.gz NBLKNRZFLNLHKY-CYBMUJFWSA-N 1 0 341.795 2.274 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000449994396 467758656 /nfs/dbraw/zinc/75/86/56/467758656.db2.gz HGHARYDFJIEVKJ-WCQYABFASA-N 1 0 343.387 2.197 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493025822 467822504 /nfs/dbraw/zinc/82/25/04/467822504.db2.gz PCVJZUGIJNIASX-GQCTYLIASA-N 1 0 347.350 2.144 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000494281784 468042049 /nfs/dbraw/zinc/04/20/49/468042049.db2.gz ICTGAGGONQWRMW-MEDUHNTESA-N 1 0 337.376 2.089 20 5 EEBDRO CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000517738773 468095800 /nfs/dbraw/zinc/09/58/00/468095800.db2.gz CQNVSSHLGCKFPD-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000578521805 468212917 /nfs/dbraw/zinc/21/29/17/468212917.db2.gz MOLOAEKWFASXBT-UHFFFAOYSA-N 1 0 338.385 2.102 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000591729001 468512048 /nfs/dbraw/zinc/51/20/48/468512048.db2.gz CLOYDWROYIDKRW-HUUCEWRRSA-N 1 0 328.368 2.264 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594212100 468514440 /nfs/dbraw/zinc/51/44/40/468514440.db2.gz SLPRQSBTQPRKHW-HOTGVXAUSA-N 1 0 332.404 2.411 20 5 EEBDRO CC[NH2+]CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569794042 468543365 /nfs/dbraw/zinc/54/33/65/468543365.db2.gz RWUYINJGJYAUFO-UHFFFAOYSA-N 1 0 328.800 2.090 20 5 EEBDRO CN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000582960006 468622150 /nfs/dbraw/zinc/62/21/50/468622150.db2.gz WOESUGQNWNBSAH-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597696065 468641734 /nfs/dbraw/zinc/64/17/34/468641734.db2.gz BDNJMMKFAQLAOX-BDJLRTHQSA-N 1 0 343.387 2.150 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700570 468644241 /nfs/dbraw/zinc/64/42/41/468644241.db2.gz NQJSBYJGLLQKMF-IUODEOHRSA-N 1 0 333.388 2.109 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255458 468666012 /nfs/dbraw/zinc/66/60/12/468666012.db2.gz PSQMWIVZOJPAPI-STQMWFEESA-N 1 0 349.435 2.122 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000571054492 468732865 /nfs/dbraw/zinc/73/28/65/468732865.db2.gz XJHOWGSCLTZMDI-ZIAGYGMSSA-N 1 0 346.353 2.034 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC[N@@H+]1CCCO ZINC000595041351 468748125 /nfs/dbraw/zinc/74/81/25/468748125.db2.gz KLFFUSKTASNWMX-DZGCQCFKSA-N 1 0 337.420 2.101 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000595043253 468748267 /nfs/dbraw/zinc/74/82/67/468748267.db2.gz VOQZWXVPPLSEDJ-KGLIPLIRSA-N 1 0 337.420 2.101 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000571848853 468847089 /nfs/dbraw/zinc/84/70/89/468847089.db2.gz SNOQFQICIAHGGF-CYBMUJFWSA-N 1 0 337.420 2.383 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562515 468914287 /nfs/dbraw/zinc/91/42/87/468914287.db2.gz VEZHMVHNYKYKSA-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CC(C)C1 ZINC000572422057 468930687 /nfs/dbraw/zinc/93/06/87/468930687.db2.gz RFLQSKJEVKHJJU-AWEZNQCLSA-N 1 0 347.415 2.305 20 5 EEBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595671426 468946907 /nfs/dbraw/zinc/94/69/07/468946907.db2.gz GFVIQJAYKXYLJP-XJKSGUPXSA-N 1 0 335.404 2.041 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000614711723 469025716 /nfs/dbraw/zinc/02/57/16/469025716.db2.gz NJBMUXLGDZLZRB-UKRRQHHQSA-N 1 0 332.404 2.382 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000595874303 469057838 /nfs/dbraw/zinc/05/78/38/469057838.db2.gz POLZFMWUSRMNCV-UHFFFAOYSA-N 1 0 340.351 2.326 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733953 469114837 /nfs/dbraw/zinc/11/48/37/469114837.db2.gz OYRCSIYVKWYECI-MLGOLLRUSA-N 1 0 334.420 2.291 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000593735082 469116366 /nfs/dbraw/zinc/11/63/66/469116366.db2.gz XZJMSIHPUOZLRL-GUYCJALGSA-N 1 0 343.387 2.206 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593734046 469116827 /nfs/dbraw/zinc/11/68/27/469116827.db2.gz SBMFPFJUWLFYMW-CZUORRHYSA-N 1 0 334.420 2.007 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000596065834 469136271 /nfs/dbraw/zinc/13/62/71/469136271.db2.gz VHMAMJRFEXIZCD-WBVHZDCISA-N 1 0 338.404 2.129 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000596070125 469139007 /nfs/dbraw/zinc/13/90/07/469139007.db2.gz NSYPHILRUOSJRK-INIZCTEOSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090500 469150898 /nfs/dbraw/zinc/15/08/98/469150898.db2.gz WKXAAOJGINYJMD-OCCSQVGLSA-N 1 0 327.388 2.819 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000611711352 469307362 /nfs/dbraw/zinc/30/73/62/469307362.db2.gz LATPJMCTXJBHDM-LRDDRELGSA-N 1 0 327.388 2.459 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602433314 469313767 /nfs/dbraw/zinc/31/37/67/469313767.db2.gz RKMVDPGHVLMTKU-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO Cc1cc(N2CCC(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928858 469347094 /nfs/dbraw/zinc/34/70/94/469347094.db2.gz XDRLLHAWBZIKQU-UHFFFAOYSA-N 1 0 349.412 2.465 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(C3CC3)CC2)n1 ZINC000616008174 469353215 /nfs/dbraw/zinc/35/32/15/469353215.db2.gz WBZRGTXORKYOHO-HZPDHXFCSA-N 1 0 333.436 2.491 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000616014438 469354189 /nfs/dbraw/zinc/35/41/89/469354189.db2.gz VISAUQUPSWOEFL-RDJZCZTQSA-N 1 0 337.395 2.467 20 5 EEBDRO CC[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000616866236 469526303 /nfs/dbraw/zinc/52/63/03/469526303.db2.gz ZLQJSIKRTYCMBT-CQSZACIVSA-N 1 0 327.768 2.345 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCOCC2(CCC2)C1 ZINC000612746471 469541608 /nfs/dbraw/zinc/54/16/08/469541608.db2.gz IHUBUEUTTDZNNU-UHFFFAOYSA-N 1 0 333.388 2.344 20 5 EEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608906276 469885512 /nfs/dbraw/zinc/88/55/12/469885512.db2.gz VVWPDAUGZLEADF-CYBMUJFWSA-N 1 0 328.372 2.386 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCn3cccn3)CC2)cn1 ZINC000609193928 469901712 /nfs/dbraw/zinc/90/17/12/469901712.db2.gz IKMDRFSDWRJMBA-UHFFFAOYSA-N 1 0 344.419 2.179 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383476 469923800 /nfs/dbraw/zinc/92/38/00/469923800.db2.gz PIWFCXUBTSZGOK-HNNXBMFYSA-N 1 0 342.399 2.150 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610305527 470002569 /nfs/dbraw/zinc/00/25/69/470002569.db2.gz YLVSJKGUHRCPLR-QGZVFWFLSA-N 1 0 347.415 2.449 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594204672 485602887 /nfs/dbraw/zinc/60/28/87/485602887.db2.gz WMXKGKQVJHIPQQ-LSDHHAIUSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000419394543 485686519 /nfs/dbraw/zinc/68/65/19/485686519.db2.gz PLIQNKFBMQSQCT-GMTAPVOTSA-N 1 0 335.360 2.238 20 5 EEBDRO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000181065105 534030264 /nfs/dbraw/zinc/03/02/64/534030264.db2.gz DFGGERNSNGMZMF-ZDUSSCGKSA-N 1 0 342.399 2.427 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418795555 534765308 /nfs/dbraw/zinc/76/53/08/534765308.db2.gz QKMNZALFPMWREC-IJEWVQPXSA-N 1 0 344.415 2.051 20 5 EEBDRO CNC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000266242424 536429905 /nfs/dbraw/zinc/42/99/05/536429905.db2.gz LOQVYMFMKCQMBL-CQSZACIVSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000416001310 527275919 /nfs/dbraw/zinc/27/59/19/527275919.db2.gz AEFPIHABLGOKMC-NSHDSACASA-N 1 0 348.325 2.409 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000173583908 528175237 /nfs/dbraw/zinc/17/52/37/528175237.db2.gz HRRLIDPXAGRQOK-AWEZNQCLSA-N 1 0 348.447 2.465 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419100 535987403 /nfs/dbraw/zinc/98/74/03/535987403.db2.gz NDXGFZIPFASGCD-BBWFWOEESA-N 1 0 347.415 2.183 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451496338 536839496 /nfs/dbraw/zinc/83/94/96/536839496.db2.gz UKORGCQEQOBAKG-UKPHBRMFSA-N 1 0 338.404 2.128 20 5 EEBDRO Cn1nc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000731679120 577116371 /nfs/dbraw/zinc/11/63/71/577116371.db2.gz WPPODIAXDYQLJZ-KRWDZBQOSA-N 1 0 326.356 2.305 20 5 EEBDRO Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000733157821 577205549 /nfs/dbraw/zinc/20/55/49/577205549.db2.gz GCXXAGPYDZMDMX-OAHLLOKOSA-N 1 0 347.415 2.276 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773129517 577317759 /nfs/dbraw/zinc/31/77/59/577317759.db2.gz HENIVWYJHSHQPH-DLBZAZTESA-N 1 0 346.431 2.068 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000774196980 577388487 /nfs/dbraw/zinc/38/84/87/577388487.db2.gz HJHLYBXRFZBCQU-MELADBBJSA-N 1 0 334.376 2.500 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNc3cnccn3)CC2)cc1 ZINC000766583338 577521899 /nfs/dbraw/zinc/52/18/99/577521899.db2.gz DPEGKQDWEKUVON-UHFFFAOYSA-N 1 0 342.403 2.055 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000770222268 577592592 /nfs/dbraw/zinc/59/25/92/577592592.db2.gz NIDZECZNPLWQCJ-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000742242567 577869889 /nfs/dbraw/zinc/86/98/89/577869889.db2.gz YFFRJJAOLWUTFB-AWEZNQCLSA-N 1 0 346.431 2.409 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C[C@H]4CCOC4)CC3)sc2c1 ZINC000750029075 577985923 /nfs/dbraw/zinc/98/59/23/577985923.db2.gz FAROAJDDWVDVEM-GFCCVEGCSA-N 1 0 348.428 2.363 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1[N+](=O)[O-] ZINC000821818689 606413244 /nfs/dbraw/zinc/41/32/44/606413244.db2.gz YHMTVXSGGWHTMK-UHFFFAOYSA-N 1 0 346.372 2.135 20 5 EEBDRO Cc1conc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020888618 675565468 /nfs/dbraw/zinc/56/54/68/675565468.db2.gz CRXODTQEJOWRQL-XYPYZODXSA-N 1 0 336.373 2.003 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC001021840788 676516703 /nfs/dbraw/zinc/51/67/03/676516703.db2.gz VCOKFZVFNHIIDV-OKILXGFUSA-N 1 0 346.412 2.410 20 5 EEBDRO CCN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000891589570 676707329 /nfs/dbraw/zinc/70/73/29/676707329.db2.gz PLWITHSJHCJSAL-AWEZNQCLSA-N 1 0 349.435 2.099 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)co1 ZINC001025755496 683265228 /nfs/dbraw/zinc/26/52/28/683265228.db2.gz PPBOITPUHQPBDE-FVQHAEBGSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000895245940 684381749 /nfs/dbraw/zinc/38/17/49/684381749.db2.gz KBPHVMQMTYCZTP-GWCFXTLKSA-N 1 0 344.362 2.242 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000895276947 684424083 /nfs/dbraw/zinc/42/40/83/684424083.db2.gz XQBXUCPCVNKLKO-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001029964543 688719027 /nfs/dbraw/zinc/71/90/27/688719027.db2.gz OCAFJYPDYLYSTD-QZTJIDSGSA-N 1 0 345.443 2.331 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162647 1186666873 /nfs/dbraw/zinc/66/68/73/1186666873.db2.gz YVFQSOATSAOYCA-SSDOTTSWSA-N 1 0 331.170 2.074 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000905564809 1189779040 /nfs/dbraw/zinc/77/90/40/1189779040.db2.gz OCBVYKHCYQTUTA-ZIAGYGMSSA-N 1 0 347.337 2.245 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H](C4OCCO4)C3)c2)c1 ZINC000905695922 1189891482 /nfs/dbraw/zinc/89/14/82/1189891482.db2.gz KXCZBAPIGVQHGM-AWEZNQCLSA-N 1 0 344.371 2.111 20 5 EEBDRO Cc1cc(N2CCC(CO)(CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872678260 1198330120 /nfs/dbraw/zinc/33/01/20/1198330120.db2.gz VOMWVCGJWJIGFV-UHFFFAOYSA-N 1 0 331.372 2.023 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000873079444 1198494385 /nfs/dbraw/zinc/49/43/85/1198494385.db2.gz FVOLGUWSRQBAAV-UHFFFAOYSA-N 1 0 326.418 2.126 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810315570 1199448877 /nfs/dbraw/zinc/44/88/77/1199448877.db2.gz BVAGSSSEVOTAQF-GJZGRUSLSA-N 1 0 348.403 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3SCCS3)CC2)cn1 ZINC000877638827 1199998587 /nfs/dbraw/zinc/99/85/87/1199998587.db2.gz PJXMNKMFGIAPJO-UHFFFAOYSA-N 1 0 340.474 2.354 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000881937080 1201791933 /nfs/dbraw/zinc/79/19/33/1201791933.db2.gz OOQRYRGBEJGGLC-SNVBAGLBSA-N 1 0 349.840 2.175 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868335689 1201793991 /nfs/dbraw/zinc/79/39/91/1201793991.db2.gz NOUNYDUDLDGKKH-DOMZBBRYSA-N 1 0 335.379 2.362 20 5 EEBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000882171568 1201826025 /nfs/dbraw/zinc/82/60/25/1201826025.db2.gz FXYLDTGDPNYSIG-CQSZACIVSA-N 1 0 346.362 2.308 20 5 EEBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000885935801 1202457093 /nfs/dbraw/zinc/45/70/93/1202457093.db2.gz ROXWEWJBUMUGLF-UHFFFAOYSA-N 1 0 326.400 2.350 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccccc2OCC(F)F)c1 ZINC000886025576 1202464008 /nfs/dbraw/zinc/46/40/08/1202464008.db2.gz HPOIFDQNCCWYFL-UHFFFAOYSA-N 1 0 326.303 2.225 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932382247 1207594482 /nfs/dbraw/zinc/59/44/82/1207594482.db2.gz IAPJQPAEVQUZDQ-KDOFPFPSSA-N 1 0 343.383 2.470 20 5 EEBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000932761095 1207672734 /nfs/dbraw/zinc/67/27/34/1207672734.db2.gz ZEFFTWRZFYWGRY-IRXDYDNUSA-N 1 0 329.400 2.395 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000796315118 1215763010 /nfs/dbraw/zinc/76/30/10/1215763010.db2.gz DKOIXOVXKORAKX-GFCCVEGCSA-N 1 0 338.383 2.089 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001039583653 1230703619 /nfs/dbraw/zinc/70/36/19/1230703619.db2.gz UELUEEDOPBOSGP-YYIAUSFCSA-N 1 0 335.448 2.297 20 5 EEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001045437066 1233744927 /nfs/dbraw/zinc/74/49/27/1233744927.db2.gz BSRCDRFLHLCSJA-HUUCEWRRSA-N 1 0 335.448 2.203 20 5 EEBDRO Cc1ccc(N(CCCNC(=O)CC[NH+](C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001096071159 1234447705 /nfs/dbraw/zinc/44/77/05/1234447705.db2.gz BYENIHVMOUZISM-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)(C)C[NH+](C)C ZINC000801911686 1236405960 /nfs/dbraw/zinc/40/59/60/1236405960.db2.gz RRKZNLQNEJYUDR-SECBINFHSA-N 1 0 326.372 2.022 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001001399022 1242195512 /nfs/dbraw/zinc/19/55/12/1242195512.db2.gz HORTVHDWNCCECF-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097038357 1243604886 /nfs/dbraw/zinc/60/48/86/1243604886.db2.gz XTBLUFSPYKDRTG-HAQNSBGRSA-N 1 0 338.383 2.133 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097029969 1243637968 /nfs/dbraw/zinc/63/79/68/1243637968.db2.gz NSKPOPPTYDTXFA-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO CCCN(CCNC(=O)C12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC001101167220 1245474850 /nfs/dbraw/zinc/47/48/50/1245474850.db2.gz SHYSCXRNRLEYAI-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO CCCN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001101256867 1245580916 /nfs/dbraw/zinc/58/09/16/1245580916.db2.gz UNFPUQOHBJNELS-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO Cc1ccc(NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001068494039 1251161974 /nfs/dbraw/zinc/16/19/74/1251161974.db2.gz KFIGXAMNWNAGSG-SHTZXODSSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@@H](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000853848320 1292486004 /nfs/dbraw/zinc/48/60/04/1292486004.db2.gz WDSKWOWEEZQQND-JTQLQIEISA-N 1 0 328.800 2.388 20 5 EEBDRO O=[N+]([O-])c1cccc(I)c1O[C@H]1CCC[NH2+]C1 ZINC001218283760 1297621997 /nfs/dbraw/zinc/62/19/97/1297621997.db2.gz MTPPAQJPWQNERF-QMMMGPOBSA-N 1 0 348.140 2.330 20 5 EEBDRO Nc1ccc2n(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)c3ccccc3cc-2c1=O ZINC001219256722 1297966000 /nfs/dbraw/zinc/96/60/00/1297966000.db2.gz XKHDDQROWIGFSC-TZMCWYRMSA-N 1 0 339.370 2.276 20 5 EEBDRO C[NH2+]CCNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 ZINC001220054767 1298241149 /nfs/dbraw/zinc/24/11/49/1298241149.db2.gz RKUDEGSVVNOBBR-UHFFFAOYSA-N 1 0 338.407 2.441 20 5 EEBDRO COC(=O)[C@H](OC1CC[NH+](CCF)CC1)c1ccccc1[N+](=O)[O-] ZINC001223644544 1300207351 /nfs/dbraw/zinc/20/73/51/1300207351.db2.gz VTYOYUOCGMPDSR-OAHLLOKOSA-N 1 0 340.351 2.259 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001225100889 1300889752 /nfs/dbraw/zinc/88/97/52/1300889752.db2.gz MRYYPWQABDECTM-FZKCQIBNSA-N 1 0 343.488 2.122 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)c(Cl)cc1Cl ZINC001226886496 1301596110 /nfs/dbraw/zinc/59/61/10/1301596110.db2.gz NUVHPKOAFHKJLA-SSDOTTSWSA-N 1 0 342.630 2.404 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1 ZINC001227049141 1301664751 /nfs/dbraw/zinc/66/47/51/1301664751.db2.gz OMADLUUIYHZKID-YWVIFJGQSA-N 1 0 334.372 2.491 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001227271346 1301758527 /nfs/dbraw/zinc/75/85/27/1301758527.db2.gz KPOJCIKBWFZPIG-MRVPVSSYSA-N 1 0 347.222 2.232 20 5 EEBDRO Cc1cc(Br)cc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228155711 1302130609 /nfs/dbraw/zinc/13/06/09/1302130609.db2.gz WMSCNAOOQPJNLA-CYBMUJFWSA-N 1 0 345.257 2.429 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111813298 1303928112 /nfs/dbraw/zinc/92/81/12/1303928112.db2.gz CGKVAXXRZHBKEE-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO C[C@@]1(CO)C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232219498 1304041319 /nfs/dbraw/zinc/04/13/19/1304041319.db2.gz UTWUFQOKLKXBGE-XLIONFOSSA-N 1 0 337.423 2.348 20 5 EEBDRO CCC1(Nc2ncccc2[N+](=O)[O-])CCN(C(=O)CC[NH+](C)C)CC1 ZINC001112209216 1304334578 /nfs/dbraw/zinc/33/45/78/1304334578.db2.gz HFOLPZYEKHLZFE-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000784222254 1304444697 /nfs/dbraw/zinc/44/46/97/1304444697.db2.gz ILVWDUUJRREPND-WDEREUQCSA-N 1 0 334.294 2.219 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784722025 1304534357 /nfs/dbraw/zinc/53/43/57/1304534357.db2.gz VHJSGBVZILKDHG-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](Cc2nccn2C)C1 ZINC001120025922 1309287340 /nfs/dbraw/zinc/28/73/40/1309287340.db2.gz WFRZEHAOJVKFQG-LBPRGKRZSA-N 1 0 331.376 2.191 20 5 EEBDRO N[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1(F)F ZINC001246579608 1310348078 /nfs/dbraw/zinc/34/80/78/1310348078.db2.gz CJMBNLHPRXUCBN-OAHLLOKOSA-N 1 0 340.374 2.232 20 5 EEBDRO C[NH+](C)CCOc1cc(NC[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC001162262423 1320799609 /nfs/dbraw/zinc/79/96/09/1320799609.db2.gz ZWWVXZKZNDADFA-AWEZNQCLSA-N 1 0 335.360 2.274 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC000834522930 1314846872 /nfs/dbraw/zinc/84/68/72/1314846872.db2.gz XLISRAXSMQVHJC-UHFFFAOYSA-N 1 0 341.770 2.094 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284651 1315149084 /nfs/dbraw/zinc/14/90/84/1315149084.db2.gz LLHMKRYWGUSMBK-HOTGVXAUSA-N 1 0 336.388 2.434 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854560 1315624301 /nfs/dbraw/zinc/62/43/01/1315624301.db2.gz BUVLOMIQPWEJQE-LLVKDONJSA-N 1 0 340.811 2.389 20 5 EEBDRO CC1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841856157 1315625133 /nfs/dbraw/zinc/62/51/33/1315625133.db2.gz OWUJCSTZPIAMRS-UHFFFAOYSA-N 1 0 340.811 2.437 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000842579270 1315725647 /nfs/dbraw/zinc/72/56/47/1315725647.db2.gz ADIUOYXZOIZUFL-JTQLQIEISA-N 1 0 328.332 2.153 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000842736727 1315764745 /nfs/dbraw/zinc/76/47/45/1315764745.db2.gz GGZSRPMAEXOJEK-UHFFFAOYSA-N 1 0 349.840 2.162 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000842834657 1315782223 /nfs/dbraw/zinc/78/22/23/1315782223.db2.gz YJEQCJZMWYQYBN-CQSZACIVSA-N 1 0 338.408 2.153 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000843077593 1315836590 /nfs/dbraw/zinc/83/65/90/1315836590.db2.gz SVKIUNCLPBHBJG-FUHWJXTLSA-N 1 0 330.384 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CCO)c2ccccc2)cc1 ZINC000843078650 1315836680 /nfs/dbraw/zinc/83/66/80/1315836680.db2.gz ZTLWFWAZCVUXJA-WMZOPIPTSA-N 1 0 330.384 2.384 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H](O)c1ccccc1 ZINC000843085620 1315838315 /nfs/dbraw/zinc/83/83/15/1315838315.db2.gz AIGAMHQCTURIPN-RDJZCZTQSA-N 1 0 346.383 2.048 20 5 EEBDRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843092471 1315839943 /nfs/dbraw/zinc/83/99/43/1315839943.db2.gz DDPLGNSLVUNZNM-WMZOPIPTSA-N 1 0 330.384 2.130 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108258 1315844666 /nfs/dbraw/zinc/84/46/66/1315844666.db2.gz NWQIHUDYVCJUMN-DLBZAZTESA-N 1 0 345.399 2.373 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843348399 1315896812 /nfs/dbraw/zinc/89/68/12/1315896812.db2.gz FNWNNEBOHWLQTF-SNVBAGLBSA-N 1 0 340.811 2.246 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000843355546 1315898710 /nfs/dbraw/zinc/89/87/10/1315898710.db2.gz VAUUOYHAPXYCGQ-UHFFFAOYSA-N 1 0 328.800 2.103 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001153014554 1316759706 /nfs/dbraw/zinc/75/97/06/1316759706.db2.gz CSOQQLNSZZVREV-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CCOCCCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153037375 1316764591 /nfs/dbraw/zinc/76/45/91/1316764591.db2.gz NHWIZOSVNOSZMC-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1csc(C2CC2)n1 ZINC001153401957 1316822679 /nfs/dbraw/zinc/82/26/79/1316822679.db2.gz FKEKXKJDNJTWHM-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)c[nH]1 ZINC001154567345 1317208455 /nfs/dbraw/zinc/20/84/55/1317208455.db2.gz PTMNVYPNDGUGEU-UHFFFAOYSA-N 1 0 336.779 2.486 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001154672799 1317259910 /nfs/dbraw/zinc/25/99/10/1317259910.db2.gz PHSMIOYBDQURPT-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NCC[C@H]3CCOC34C[NH2+]C4)nc2c1 ZINC001155477447 1317614117 /nfs/dbraw/zinc/61/41/17/1317614117.db2.gz MNKDEKBDGWNTSK-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC001155616249 1317675569 /nfs/dbraw/zinc/67/55/69/1317675569.db2.gz COSNCAICEMERSK-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO CCOc1cccc(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1 ZINC001155874204 1317773522 /nfs/dbraw/zinc/77/35/22/1317773522.db2.gz BTAUBMYBZBCVOX-UHFFFAOYSA-N 1 0 343.387 2.125 20 5 EEBDRO O=C(CC1CCOCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155978930 1317813180 /nfs/dbraw/zinc/81/31/80/1317813180.db2.gz PYZLYCKQMDDAPU-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001156411381 1317999358 /nfs/dbraw/zinc/99/93/58/1317999358.db2.gz FAKPPIHTCDARDG-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO CCOC(=O)C1(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001254540031 1318115915 /nfs/dbraw/zinc/11/59/15/1318115915.db2.gz OPXSLQKFZUBGNC-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCC(C)(C)O)CC1 ZINC001254569084 1318124538 /nfs/dbraw/zinc/12/45/38/1318124538.db2.gz HPSFUVQILXGVMC-HNNXBMFYSA-N 1 0 335.448 2.304 20 5 EEBDRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254572183 1318126823 /nfs/dbraw/zinc/12/68/23/1318126823.db2.gz JHVXAQXPHDLYLC-CABCVRRESA-N 1 0 325.368 2.310 20 5 EEBDRO COc1ccc([C@@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577661 1318129876 /nfs/dbraw/zinc/12/98/76/1318129876.db2.gz GFXUOLPQNYYZKS-MAUKXSAKSA-N 1 0 328.368 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(Cc3cccnc3)C1)C2 ZINC001254584012 1318132729 /nfs/dbraw/zinc/13/27/29/1318132729.db2.gz FRUGHEIATIAUDE-ZWKOTPCHSA-N 1 0 338.411 2.321 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@@H]3C[C@H]1[C@H](C(F)(F)F)O3)C2 ZINC001254609575 1318144523 /nfs/dbraw/zinc/14/45/23/1318144523.db2.gz XOYQWUYXDCRYLW-ZOBORPQBSA-N 1 0 328.290 2.466 20 5 EEBDRO COC(=O)c1cnc(N2C(C)(C)CC([NH3+])CC2(C)C)c([N+](=O)[O-])c1 ZINC001156771324 1318203851 /nfs/dbraw/zinc/20/38/51/1318203851.db2.gz RPOGHAWQIRTNMI-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO CC(C)(C)OC(=O)C1(Nc2cccc([N+](=O)[O-])n2)CCC([NH3+])CC1 ZINC001156800996 1318216156 /nfs/dbraw/zinc/21/61/56/1318216156.db2.gz ZQEFXJJEKOQJDO-UHFFFAOYSA-N 1 0 336.392 2.384 20 5 EEBDRO CCc1cc(NC(=N)SCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157130345 1318425287 /nfs/dbraw/zinc/42/52/87/1318425287.db2.gz BBFDNFRQGOSPHH-UHFFFAOYSA-N 1 0 346.416 2.075 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093077 1318646075 /nfs/dbraw/zinc/64/60/75/1318646075.db2.gz FZCWDYIPOYGRBX-CXAGYDPISA-N 1 0 349.431 2.275 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001256428581 1318737045 /nfs/dbraw/zinc/73/70/45/1318737045.db2.gz SEMPWCKWSPVYDE-CYBMUJFWSA-N 1 0 333.388 2.094 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001157739537 1318828583 /nfs/dbraw/zinc/82/85/83/1318828583.db2.gz LGMFQXDFEWNSRV-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO CCN(c1ncnc2cc(OC)c([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC001158204018 1319076078 /nfs/dbraw/zinc/07/60/78/1319076078.db2.gz DAEBYQROHYJAOC-NSHDSACASA-N 1 0 331.376 2.125 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC001158314269 1319169432 /nfs/dbraw/zinc/16/94/32/1319169432.db2.gz BUDLOPZMIXAXCO-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO COc1ncnc(N(C2CCCC2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001158488341 1319267404 /nfs/dbraw/zinc/26/74/04/1319267404.db2.gz UGFPONBCCJSYBB-UHFFFAOYSA-N 1 0 335.408 2.237 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)O1 ZINC001159240030 1319700156 /nfs/dbraw/zinc/70/01/56/1319700156.db2.gz LOTMFZPMBHGYHI-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108215 1320071521 /nfs/dbraw/zinc/07/15/21/1320071521.db2.gz HQOHSLNMZLWOTN-UHFFFAOYSA-N 1 0 327.388 2.320 20 5 EEBDRO Nc1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160114449 1320072711 /nfs/dbraw/zinc/07/27/11/1320072711.db2.gz QFOSZRMQMXMOHE-UHFFFAOYSA-N 1 0 331.351 2.469 20 5 EEBDRO COc1cc(C)nc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160198635 1320096536 /nfs/dbraw/zinc/09/65/36/1320096536.db2.gz FLKPNAIOMYBPNL-NSHDSACASA-N 1 0 330.344 2.165 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2cnc3ccc([N+](=O)[O-])cc3n2)C2COC2)CC1 ZINC001161274888 1320441774 /nfs/dbraw/zinc/44/17/74/1320441774.db2.gz JGYOYOZENNNHMP-HAQNSBGRSA-N 1 0 343.387 2.013 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161358386 1320473341 /nfs/dbraw/zinc/47/33/41/1320473341.db2.gz LVSAJWUDLYEDPB-MGCOHNPYSA-N 1 0 349.782 2.236 20 5 EEBDRO Cc1c(C)c(N2CCC([NH3+])(c3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC001161581760 1320546723 /nfs/dbraw/zinc/54/67/23/1320546723.db2.gz BYYGTVOCONZKCL-UHFFFAOYSA-N 1 0 327.388 2.456 20 5 EEBDRO O=C(CCc1cccnc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001161931766 1320681989 /nfs/dbraw/zinc/68/19/89/1320681989.db2.gz RCTOWOQDIYRXNT-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001161934801 1320682882 /nfs/dbraw/zinc/68/28/82/1320682882.db2.gz YGJFRXMROOJECT-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO CCC(=O)NCC1(COC)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001162031059 1320726530 /nfs/dbraw/zinc/72/65/30/1320726530.db2.gz BWQKQJGNHXIYLZ-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1noc2c1C[NH2+]CC2 ZINC001163133696 1321047647 /nfs/dbraw/zinc/04/76/47/1321047647.db2.gz CGPKOJKGTOJSHM-UHFFFAOYSA-N 1 0 346.343 2.017 20 5 EEBDRO CCOCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163250510 1321076776 /nfs/dbraw/zinc/07/67/76/1321076776.db2.gz DIYGRKSOVUIBCK-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO COc1cccc([C@H](C[NH3+])Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001163305369 1321092422 /nfs/dbraw/zinc/09/24/22/1321092422.db2.gz DUMRTYLPIYGDCI-LBPRGKRZSA-N 1 0 333.304 2.019 20 5 EEBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(C)cc(OC)c2[N+](=O)[O-])c1 ZINC001163306376 1321092613 /nfs/dbraw/zinc/09/26/13/1321092613.db2.gz NSRSLYWNQNMYFZ-CYBMUJFWSA-N 1 0 332.360 2.427 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc2cccnc21 ZINC001163325626 1321098463 /nfs/dbraw/zinc/09/84/63/1321098463.db2.gz BSHHVBWVUGMWJM-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc2cnccc21 ZINC001163328279 1321099023 /nfs/dbraw/zinc/09/90/23/1321099023.db2.gz PKCQJQQUSFYIHR-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC001163371145 1321108031 /nfs/dbraw/zinc/10/80/31/1321108031.db2.gz NNFXZJQFXGLDAC-RYUDHWBXSA-N 1 0 336.392 2.307 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001163653351 1321182140 /nfs/dbraw/zinc/18/21/40/1321182140.db2.gz JETCTXAVQAGVHU-DOTOQJQBSA-N 1 0 349.387 2.095 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCc1cccc(C[NH+](C)C)c1 ZINC001163998652 1321267181 /nfs/dbraw/zinc/26/71/81/1321267181.db2.gz SBHIMJOZQHEJEI-UHFFFAOYSA-N 1 0 344.371 2.450 20 5 EEBDRO C[NH+]1C[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2C1 ZINC001165151875 1321466527 /nfs/dbraw/zinc/46/65/27/1321466527.db2.gz SDCJRJAACVYDHD-NXEZZACHSA-N 1 0 333.779 2.189 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279349 1321491709 /nfs/dbraw/zinc/49/17/09/1321491709.db2.gz TYTQEDIFNRBMAX-GFCCVEGCSA-N 1 0 336.392 2.229 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001261550984 1322129504 /nfs/dbraw/zinc/12/95/04/1322129504.db2.gz SUZKYQSCNONKQM-HOTGVXAUSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001205224368 1322319515 /nfs/dbraw/zinc/31/95/15/1322319515.db2.gz QLHBYSVIGKIUMK-SJJKRXNQSA-N 1 0 343.427 2.193 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccc3F)CCC2)c1 ZINC001262569422 1322325664 /nfs/dbraw/zinc/32/56/64/1322325664.db2.gz YFVWPRDQUUCJNQ-AWEZNQCLSA-N 1 0 348.378 2.003 20 5 EEBDRO CN(CC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001318866501 1332614376 /nfs/dbraw/zinc/61/43/76/1332614376.db2.gz RGVXOCXYYOPGGO-UONOGXRCSA-N 1 0 334.420 2.020 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001327544806 1334312457 /nfs/dbraw/zinc/31/24/57/1334312457.db2.gz UEKXXVDVHCFIDD-CABCVRRESA-N 1 0 334.420 2.386 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001329300865 1334622820 /nfs/dbraw/zinc/62/28/20/1334622820.db2.gz ALXXLWSWWCYLAK-VIFPVBQESA-N 1 0 349.309 2.264 20 5 EEBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001330984351 1334940847 /nfs/dbraw/zinc/94/08/47/1334940847.db2.gz MHTTXFDHRCPJPB-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333781660 1336131499 /nfs/dbraw/zinc/13/14/99/1336131499.db2.gz JEVGIWSGJQFOAM-AWEZNQCLSA-N 1 0 346.431 2.394 20 5 EEBDRO COc1cccc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC001336418407 1336540012 /nfs/dbraw/zinc/54/00/12/1336540012.db2.gz NIPVBGPJXJQQDH-UHFFFAOYSA-N 1 0 348.447 2.067 20 5 EEBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001336617854 1336570725 /nfs/dbraw/zinc/57/07/25/1336570725.db2.gz TVWDFZJLRSPIPK-CYBMUJFWSA-N 1 0 343.305 2.438 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001341799152 1337299645 /nfs/dbraw/zinc/29/96/45/1337299645.db2.gz TXNOCNDVXKHAQT-SRVKXCTJSA-N 1 0 331.294 2.094 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000848942142 1338809419 /nfs/dbraw/zinc/80/94/19/1338809419.db2.gz XVTPJHXDASGLOG-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC001357208619 1338972293 /nfs/dbraw/zinc/97/22/93/1338972293.db2.gz ARHMCOVUZGWRJW-HOCLYGCPSA-N 1 0 332.331 2.361 20 5 EEBDRO C[C@@H](CCc1ccco1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575966802 1343930584 /nfs/dbraw/zinc/93/05/84/1343930584.db2.gz SHRFZFMRFBOKRR-SJCJKPOMSA-N 1 0 331.372 2.499 20 5 EEBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580649744 1344548864 /nfs/dbraw/zinc/54/88/64/1344548864.db2.gz WISFMJDPUSYCAE-LLVKDONJSA-N 1 0 344.371 2.111 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC001590258860 1349231867 /nfs/dbraw/zinc/23/18/67/1349231867.db2.gz CXBJASLWGPTXKM-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]1SCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590337743 1349273629 /nfs/dbraw/zinc/27/36/29/1349273629.db2.gz RSCUEHOQFBXPLR-VHSXEESVSA-N 1 0 334.405 2.101 20 5 EEBDRO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592032764 1349585872 /nfs/dbraw/zinc/58/58/72/1349585872.db2.gz FELDKVLBAAXFBT-GFCCVEGCSA-N 1 0 345.407 2.370 20 5 EEBDRO C[C@@H]1CCSCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603910488 1350799937 /nfs/dbraw/zinc/79/99/37/1350799937.db2.gz OXMWMBALYXNVDI-SNVBAGLBSA-N 1 0 334.405 2.102 20 5 EEBDRO CCOc1cc(NC(=O)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000859624996 1369439746 /nfs/dbraw/zinc/43/97/46/1369439746.db2.gz JFNLWQUILAMGBL-SNVBAGLBSA-N 1 0 340.380 2.203 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794634944 1369591541 /nfs/dbraw/zinc/59/15/41/1369591541.db2.gz ATYOMEXTLBYTBK-ZDUSSCGKSA-N 1 0 348.403 2.124 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001121699394 1371916048 /nfs/dbraw/zinc/91/60/48/1371916048.db2.gz JWAMDXQAPMDJNW-NEPJUHHUSA-N 1 0 348.407 2.385 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351982 1373140859 /nfs/dbraw/zinc/14/08/59/1373140859.db2.gz IWGAJQOSAYFBMG-ZIAGYGMSSA-N 1 0 332.404 2.232 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC001357260470 1373213866 /nfs/dbraw/zinc/21/38/66/1373213866.db2.gz PHQIWSQSNQQFRG-ZWQIFLOQSA-N 1 0 340.379 2.262 20 5 EEBDRO O=C(CC(F)(F)F)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001752714582 1406359581 /nfs/dbraw/zinc/35/95/81/1406359581.db2.gz LPYKLCZXAQXLOF-PHIMTYICSA-N 1 0 331.294 2.284 20 5 EEBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(C)C)cc1 ZINC001753081451 1406671785 /nfs/dbraw/zinc/67/17/85/1406671785.db2.gz GBLFZNKDOYLOMD-IAGOWNOFSA-N 1 0 333.432 2.413 20 5 EEBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1ccco1 ZINC001754073286 1406833707 /nfs/dbraw/zinc/83/37/07/1406833707.db2.gz GOTNQABIVYHIMN-UHFFFAOYSA-N 1 0 337.401 2.430 20 5 EEBDRO Cc1nc(NCCN(C)C(=O)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001101647016 1410714566 /nfs/dbraw/zinc/71/45/66/1410714566.db2.gz GHEYQJYDDRMTAS-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001164664315 719388303 /nfs/dbraw/zinc/38/83/03/719388303.db2.gz AZUGJYIANZJVNH-OLZOCXBDSA-N 1 0 348.790 2.316 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc21 ZINC001165039826 721908081 /nfs/dbraw/zinc/90/80/81/721908081.db2.gz VSQCLFHUDVGUDS-HNNXBMFYSA-N 1 0 342.399 2.444 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000981138693 776585823 /nfs/dbraw/zinc/58/58/23/776585823.db2.gz YQLSSQBWTZFBOX-QZTJIDSGSA-N 1 0 343.427 2.264 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846742282 790527142 /nfs/dbraw/zinc/52/71/42/790527142.db2.gz HSDGVXVDNZPSMB-SCZZXKLOSA-N 1 0 329.759 2.268 20 5 EEBDRO O=C(C1CC1)N1CC2(C1)CCCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000981568659 777683731 /nfs/dbraw/zinc/68/37/31/777683731.db2.gz NFTNCPNCDKMDRV-UHFFFAOYSA-N 1 0 335.429 2.491 20 5 EEBDRO COc1nc(C)c(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1[N+](=O)[O-] ZINC001167986467 781387041 /nfs/dbraw/zinc/38/70/41/781387041.db2.gz WHXOBDLBIBZVNS-UHFFFAOYSA-N 1 0 342.355 2.458 20 5 EEBDRO CCN(C)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809735247 783318813 /nfs/dbraw/zinc/31/88/13/783318813.db2.gz XLGPBDWPKZXFQJ-UHFFFAOYSA-N 1 0 329.404 2.411 20 5 EEBDRO Cn1cnc2cc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000809734767 783319854 /nfs/dbraw/zinc/31/98/54/783319854.db2.gz KXEVIGAYQKHTAJ-UHFFFAOYSA-N 1 0 325.372 2.447 20 5 EEBDRO COCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000816625580 784136113 /nfs/dbraw/zinc/13/61/13/784136113.db2.gz IMPBQPZVVLLBOP-UHFFFAOYSA-N 1 0 349.431 2.349 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1F ZINC001135643829 784150215 /nfs/dbraw/zinc/15/02/15/784150215.db2.gz ZMOGJHRYEUDOMX-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2cc3ccccc3cc21 ZINC001170867779 784766244 /nfs/dbraw/zinc/76/62/44/784766244.db2.gz KBAOJWGFSIDVOZ-NVXWUHKLSA-N 1 0 336.395 2.346 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000817659504 784879297 /nfs/dbraw/zinc/87/92/97/784879297.db2.gz VTYWOOYZTKENBA-UHFFFAOYSA-N 1 0 349.416 2.202 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ncccc2Cl)c1 ZINC000819159066 785427953 /nfs/dbraw/zinc/42/79/53/785427953.db2.gz IKOPNHXLTZBUOC-CQSZACIVSA-N 1 0 337.763 2.345 20 5 EEBDRO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000820669892 786011444 /nfs/dbraw/zinc/01/14/44/786011444.db2.gz CAAOWVMQTHDGRM-AWEZNQCLSA-N 1 0 335.404 2.070 20 5 EEBDRO CCc1ccccc1CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428443 786394343 /nfs/dbraw/zinc/39/43/43/786394343.db2.gz DDFKAMUFVHBGTM-QZTJIDSGSA-N 1 0 345.443 2.037 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107231250 786531890 /nfs/dbraw/zinc/53/18/90/786531890.db2.gz BCSLVRDHDPRYDO-PLNGDYQASA-N 1 0 338.383 2.158 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107275627 786687463 /nfs/dbraw/zinc/68/74/63/786687463.db2.gz YNZUGZWWAXSSOK-SNAWJCMRSA-N 1 0 334.420 2.411 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822863804 787442944 /nfs/dbraw/zinc/44/29/44/787442944.db2.gz UZEXVNZAWHSVCH-RYUDHWBXSA-N 1 0 332.360 2.433 20 5 EEBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])c4nncn4c3)c2C1 ZINC001171101156 788833223 /nfs/dbraw/zinc/83/32/23/788833223.db2.gz XMPLMHIHDFXUPG-LLVKDONJSA-N 1 0 348.366 2.397 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C1CC1 ZINC000844761759 789357301 /nfs/dbraw/zinc/35/73/01/789357301.db2.gz PELJCAZODJVNQP-LSDHHAIUSA-N 1 0 344.371 2.033 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C1CC1 ZINC000844761855 789357543 /nfs/dbraw/zinc/35/75/43/789357543.db2.gz RLMKWWBWORSABH-LSDHHAIUSA-N 1 0 344.371 2.033 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168554441 789884791 /nfs/dbraw/zinc/88/47/91/789884791.db2.gz AZRQDPFOIJTYFL-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO COc1cc(OCC(=O)O[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000845667667 789915003 /nfs/dbraw/zinc/91/50/03/789915003.db2.gz ILMHCGLUBVTJKT-LBPRGKRZSA-N 1 0 338.360 2.010 20 5 EEBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000845766097 789937532 /nfs/dbraw/zinc/93/75/32/789937532.db2.gz DRYZFZCHFJNKMV-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000846100830 790062088 /nfs/dbraw/zinc/06/20/88/790062088.db2.gz UVDHEKHLPMTDPM-NWANDNLSSA-N 1 0 337.445 2.002 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000129822848 790088594 /nfs/dbraw/zinc/08/85/94/790088594.db2.gz KNIPZKMLCXCBMQ-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147180517 791746853 /nfs/dbraw/zinc/74/68/53/791746853.db2.gz BRBYRPBVVLIRLD-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO O=C(CCCF)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001148071965 792133924 /nfs/dbraw/zinc/13/39/24/792133924.db2.gz VQADFTUSYIZMTQ-UHFFFAOYSA-N 1 0 335.379 2.379 20 5 EEBDRO Cc1ccc(F)c(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001148528834 792548911 /nfs/dbraw/zinc/54/89/11/792548911.db2.gz IRLHECVWURZZMD-UHFFFAOYSA-N 1 0 345.374 2.491 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000716196947 795615371 /nfs/dbraw/zinc/61/53/71/795615371.db2.gz GMNJZIKNLMELGR-OALUTQOASA-N 1 0 341.411 2.492 20 5 EEBDRO O=C1NCC[C@]12CCC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907705 797133289 /nfs/dbraw/zinc/13/32/89/797133289.db2.gz LMVCTBIRMGGHEI-APWZRJJASA-N 1 0 343.427 2.444 20 5 EEBDRO COC[C@@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007605 797194815 /nfs/dbraw/zinc/19/48/15/797194815.db2.gz ULAJOYWLIUORNX-SNVBAGLBSA-N 1 0 329.347 2.466 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@](C)(C(N)=O)C(C)C)c1F ZINC001173180598 797278719 /nfs/dbraw/zinc/27/87/19/797278719.db2.gz XBDWWKVIOLZBSS-HWPZZCPQSA-N 1 0 341.383 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCc3nccn3CC2)c1F ZINC001173195264 797283313 /nfs/dbraw/zinc/28/33/13/797283313.db2.gz DOKYGWARNCUHQQ-LBPRGKRZSA-N 1 0 348.378 2.428 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001095241580 797578719 /nfs/dbraw/zinc/57/87/19/797578719.db2.gz LBERMKYCYXOYFA-UHFFFAOYSA-N 1 0 349.435 2.123 20 5 EEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925430281 797752953 /nfs/dbraw/zinc/75/29/53/797752953.db2.gz LITJFMGQWQTGJG-GOEBONIOSA-N 1 0 332.404 2.188 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000917015244 798021612 /nfs/dbraw/zinc/02/16/12/798021612.db2.gz OJXZBNKWCMNANI-ZDUSSCGKSA-N 1 0 337.763 2.173 20 5 EEBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922676350 801656076 /nfs/dbraw/zinc/65/60/76/801656076.db2.gz GXQPNZPGZIVPAX-UHFFFAOYSA-N 1 0 340.426 2.392 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC001086292595 802685692 /nfs/dbraw/zinc/68/56/92/802685692.db2.gz NFDWRAUCZLSZEJ-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001086378809 802859838 /nfs/dbraw/zinc/85/98/38/802859838.db2.gz GMKLAAVYPIPURK-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1cnoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086523042 803247693 /nfs/dbraw/zinc/24/76/93/803247693.db2.gz XAHXCIAYDISLBR-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001168883485 803500188 /nfs/dbraw/zinc/50/01/88/803500188.db2.gz QRNRBSDBYPRAFU-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981248 803545594 /nfs/dbraw/zinc/54/55/94/803545594.db2.gz GWFKHWZMKVQWPJ-YNEHKIRRSA-N 1 0 333.388 2.156 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)C1 ZINC001168999942 803565259 /nfs/dbraw/zinc/56/52/59/803565259.db2.gz WKYUCJHTBHVUMR-SJORKVTESA-N 1 0 333.432 2.456 20 5 EEBDRO CC(C)(C)OC(=O)NC12CC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001169001275 803566514 /nfs/dbraw/zinc/56/65/14/803566514.db2.gz FEKGESZCTDQVGX-RBAVJSINSA-N 1 0 325.409 2.221 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169010097 803570845 /nfs/dbraw/zinc/57/08/45/803570845.db2.gz AXYXMXGLZWWNFQ-KBUPBQIOSA-N 1 0 339.436 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001169012874 803571165 /nfs/dbraw/zinc/57/11/65/803571165.db2.gz SKAHKVOUVDSLNC-KXNHARMFSA-N 1 0 328.306 2.159 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034962 803579171 /nfs/dbraw/zinc/57/91/71/803579171.db2.gz IXDYJUXEFPXDQQ-HZSPNIEDSA-N 1 0 327.425 2.278 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccccc1 ZINC001169019213 803587771 /nfs/dbraw/zinc/58/77/71/803587771.db2.gz FSPVTGBEXZHKGW-OHFALNGGSA-N 1 0 329.400 2.027 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(CC)nc21 ZINC001169022995 803589232 /nfs/dbraw/zinc/58/92/32/803589232.db2.gz NYXIPSJYDHZOPG-KBMXLJTQSA-N 1 0 336.436 2.284 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)C1 ZINC001169024914 803590706 /nfs/dbraw/zinc/59/07/06/803590706.db2.gz HSVWNGIMHJEFHW-LSDHHAIUSA-N 1 0 336.436 2.096 20 5 EEBDRO COc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169050619 803595463 /nfs/dbraw/zinc/59/54/63/803595463.db2.gz BYRBVNDDNZMDKD-OFQRWUPVSA-N 1 0 335.404 2.379 20 5 EEBDRO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169053138 803595636 /nfs/dbraw/zinc/59/56/36/803595636.db2.gz HRCQYQVEMLDVQH-FRFSOERESA-N 1 0 347.415 2.074 20 5 EEBDRO Cc1ccc(NCCCN(C)C(=O)Cc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC001109506304 805563399 /nfs/dbraw/zinc/56/33/99/805563399.db2.gz DCCIPXAIHIZTEH-UHFFFAOYSA-N 1 0 331.376 2.129 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157262744 807177018 /nfs/dbraw/zinc/17/70/18/807177018.db2.gz YCCGSDUVJNYWFP-IUCAKERBSA-N 1 0 343.840 2.291 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])O1 ZINC001170281623 809878419 /nfs/dbraw/zinc/87/84/19/809878419.db2.gz GLWZRJDTVVYWCL-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1F ZINC001170284154 809880486 /nfs/dbraw/zinc/88/04/86/809880486.db2.gz PRPJHHFOEKZNII-UMVBOHGHSA-N 1 0 327.356 2.179 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001129916136 811029591 /nfs/dbraw/zinc/02/95/91/811029591.db2.gz ZAUJTARATTXXNI-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO C[C@H](C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001589066506 955751114 /nfs/dbraw/zinc/75/11/14/955751114.db2.gz INDYVXASUOFMEQ-CQSZACIVSA-N 1 0 349.431 2.160 20 5 EEBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001524267355 1120028095 /nfs/dbraw/zinc/02/80/95/1120028095.db2.gz PHGSNCLCVSKVDK-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411268346 529411358 /nfs/dbraw/zinc/41/13/58/529411358.db2.gz FYLRUDCPTQIEDV-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000120512110 290661427 /nfs/dbraw/zinc/66/14/27/290661427.db2.gz JMBRGSYKRQLLSA-KBPBESRZSA-N 1 0 348.447 2.369 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066187903 215021398 /nfs/dbraw/zinc/02/13/98/215021398.db2.gz YRMGATYOQMURBV-MRXNPFEDSA-N 1 0 332.404 2.017 20 5 EEBDRO Cn1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129407702 223053704 /nfs/dbraw/zinc/05/37/04/223053704.db2.gz ZYYJACROIKAXAO-QGZVFWFLSA-N 1 0 330.388 2.342 20 5 EEBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1cccnc1 ZINC000130396068 223149394 /nfs/dbraw/zinc/14/93/94/223149394.db2.gz NTOVBUJLYMPYLQ-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414941431 238756791 /nfs/dbraw/zinc/75/67/91/238756791.db2.gz CLWAMKUTHKFZOO-BDAKNGLRSA-N 1 0 344.318 2.397 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420461821 239824168 /nfs/dbraw/zinc/82/41/68/239824168.db2.gz GYOPIRRTKGHASI-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000193262437 240083191 /nfs/dbraw/zinc/08/31/91/240083191.db2.gz PZVZCZWHQYWVOF-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000422842718 240257163 /nfs/dbraw/zinc/25/71/63/240257163.db2.gz ZCNUPTUSHKSJCI-VIFPVBQESA-N 1 0 329.809 2.161 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447505875 242281794 /nfs/dbraw/zinc/28/17/94/242281794.db2.gz BAALNZXZIYWFGI-CKYFFXLPSA-N 1 0 341.795 2.272 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236802516 242361536 /nfs/dbraw/zinc/36/15/36/242361536.db2.gz DJIFCEGMIKOIHR-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449723300 242615745 /nfs/dbraw/zinc/61/57/45/242615745.db2.gz XBXJOUCYFQHIRT-SCZZXKLOSA-N 1 0 342.193 2.215 20 5 EEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000109980723 220006342 /nfs/dbraw/zinc/00/63/42/220006342.db2.gz UTCLTGVCJPAXGV-UHFFFAOYSA-N 1 0 347.415 2.360 20 5 EEBDRO O=C(CCC1CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237948202 242867196 /nfs/dbraw/zinc/86/71/96/242867196.db2.gz MOHNYHGYAZIVKU-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459250097 245048290 /nfs/dbraw/zinc/04/82/90/245048290.db2.gz FKHOLLXXYUXHQV-AWEZNQCLSA-N 1 0 346.431 2.394 20 5 EEBDRO CCOC(=O)c1ccnc(NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000077956017 217006779 /nfs/dbraw/zinc/00/67/79/217006779.db2.gz QTGGYWALSHEVHT-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO Cc1c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000078459098 217055672 /nfs/dbraw/zinc/05/56/72/217055672.db2.gz VKKQJRVHCCCQPN-CQSZACIVSA-N 1 0 348.403 2.089 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)c1[N+](=O)[O-] ZINC000081361280 217387889 /nfs/dbraw/zinc/38/78/89/217387889.db2.gz JTMDBJPBDZQOJT-LBPRGKRZSA-N 1 0 337.424 2.074 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491574795 246078345 /nfs/dbraw/zinc/07/83/45/246078345.db2.gz FHHQEKWTHOJOQA-DWMUBGRBSA-N 1 0 333.363 2.348 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264218656 246199776 /nfs/dbraw/zinc/19/97/76/246199776.db2.gz OOGZYKSLSGYMPE-UHFFFAOYSA-N 1 0 337.445 2.487 20 5 EEBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1OC ZINC000266348527 248258954 /nfs/dbraw/zinc/25/89/54/248258954.db2.gz DSAOCGXXAVSFFY-GFCCVEGCSA-N 1 0 349.391 2.060 20 5 EEBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523250 248344145 /nfs/dbraw/zinc/34/41/45/248344145.db2.gz CWJMEYAYWUOKLO-NVXWUHKLSA-N 1 0 330.388 2.298 20 5 EEBDRO CC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000270999913 256197470 /nfs/dbraw/zinc/19/74/70/256197470.db2.gz YTNATIYQGWSCQK-WFASDCNBSA-N 1 0 331.372 2.495 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000273022566 256258268 /nfs/dbraw/zinc/25/82/68/256258268.db2.gz UDOSGMMALGBFJO-NSHDSACASA-N 1 0 334.376 2.375 20 5 EEBDRO C[C@@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@@H]1C1CC1 ZINC000273043693 256260039 /nfs/dbraw/zinc/26/00/39/256260039.db2.gz IZWTWSPCQJAEIE-QZTJIDSGSA-N 1 0 345.399 2.031 20 5 EEBDRO COc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274293578 256371982 /nfs/dbraw/zinc/37/19/82/256371982.db2.gz ZVLVYYXTZLEPNK-UHFFFAOYSA-N 1 0 334.401 2.238 20 5 EEBDRO COc1cccc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000181212679 533619231 /nfs/dbraw/zinc/61/92/31/533619231.db2.gz FKZIGKZZAYDEKQ-HNNXBMFYSA-N 1 0 336.436 2.287 20 5 EEBDRO CC1CC[NH+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054647078 292140367 /nfs/dbraw/zinc/14/03/67/292140367.db2.gz HZSVTOSOBOXXFK-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000076925500 292186884 /nfs/dbraw/zinc/18/68/84/292186884.db2.gz CSANHCYAWRRZNK-KRWDZBQOSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000077196137 292188011 /nfs/dbraw/zinc/18/80/11/292188011.db2.gz SCQNFPICGXJEDN-CQSZACIVSA-N 1 0 346.431 2.258 20 5 EEBDRO CCN(CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000128320986 292340045 /nfs/dbraw/zinc/34/00/45/292340045.db2.gz HKBREIFEMAWLNX-ZDUSSCGKSA-N 1 0 343.449 2.225 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068226834 159017512 /nfs/dbraw/zinc/01/75/12/159017512.db2.gz YGLSHOPTMQXIHY-UONOGXRCSA-N 1 0 334.420 2.243 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000195340997 160211289 /nfs/dbraw/zinc/21/12/89/160211289.db2.gz HVMLZTBQABOWAZ-UHFFFAOYSA-N 1 0 343.431 2.484 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC(=O)NC3)o2)c([N+](=O)[O-])c1 ZINC000237440413 160221898 /nfs/dbraw/zinc/22/18/98/160221898.db2.gz OFNNITMGARBKCO-NSHDSACASA-N 1 0 345.355 2.232 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000245537113 160240841 /nfs/dbraw/zinc/24/08/41/160240841.db2.gz XYJMZSRAZYRUGV-VXGBXAGGSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000247316048 160319915 /nfs/dbraw/zinc/31/99/15/160319915.db2.gz RSGNAHQXVGSABT-UONOGXRCSA-N 1 0 333.388 2.160 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248202168 160340554 /nfs/dbraw/zinc/34/05/54/160340554.db2.gz ZARRWDMQFQEXIC-HUUCEWRRSA-N 1 0 347.415 2.306 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000339309186 160843121 /nfs/dbraw/zinc/84/31/21/160843121.db2.gz DDLSWCSZHIQUAI-UHFFFAOYSA-N 1 0 348.378 2.312 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000342451453 161066443 /nfs/dbraw/zinc/06/64/43/161066443.db2.gz PIYJGCPWDQAUPA-ZFWWWQNUSA-N 1 0 342.399 2.326 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343266939 161118494 /nfs/dbraw/zinc/11/84/94/161118494.db2.gz MTXWYKCETKMDMG-CHWSQXEVSA-N 1 0 328.372 2.433 20 5 EEBDRO C[C@H]1C[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343787278 161168272 /nfs/dbraw/zinc/16/82/72/161168272.db2.gz LBRHFKQWANWUKE-ZDUSSCGKSA-N 1 0 330.388 2.428 20 5 EEBDRO C[C@H]1CCC[C@@](CNC(=O)c2cccc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000344937350 161257764 /nfs/dbraw/zinc/25/77/64/161257764.db2.gz RLSKRXKDDXUFPZ-YVEFUNNKSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345957861 161345218 /nfs/dbraw/zinc/34/52/18/161345218.db2.gz VXALENRHRQUGIR-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000356175808 163358432 /nfs/dbraw/zinc/35/84/32/163358432.db2.gz JFYLCWXOYWIANE-UHFFFAOYSA-N 1 0 339.440 2.067 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000360207696 164258178 /nfs/dbraw/zinc/25/81/78/164258178.db2.gz RNGAIZADBNQDGA-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368073397 166046436 /nfs/dbraw/zinc/04/64/36/166046436.db2.gz ZNXOEMJMKWNDBB-QGZVFWFLSA-N 1 0 336.388 2.302 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832219 164387503 /nfs/dbraw/zinc/38/75/03/164387503.db2.gz DGFXKWGCJLHJMO-WFASDCNBSA-N 1 0 338.404 2.432 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000362746550 164784081 /nfs/dbraw/zinc/78/40/81/164784081.db2.gz IQINZXXKOARETN-HNNXBMFYSA-N 1 0 349.431 2.476 20 5 EEBDRO CN1CC[NH+](CC2(C)CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000364941599 165326438 /nfs/dbraw/zinc/32/64/38/165326438.db2.gz GOCLSHVJKLRWRH-UHFFFAOYSA-N 1 0 332.448 2.449 20 5 EEBDRO C[C@H]1[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000368814511 166132090 /nfs/dbraw/zinc/13/20/90/166132090.db2.gz STPCNUDHRZEJKE-CQSZACIVSA-N 1 0 347.415 2.449 20 5 EEBDRO CN(C(=O)CN1CCC2(CCC[N@@H+]2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000369383585 166250738 /nfs/dbraw/zinc/25/07/38/166250738.db2.gz MFKYBLCTIFCDQH-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000369390898 166252312 /nfs/dbraw/zinc/25/23/12/166252312.db2.gz GHSSFLPAGLZMIZ-LRDDRELGSA-N 1 0 333.388 2.423 20 5 EEBDRO CN(CC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000375252104 167096628 /nfs/dbraw/zinc/09/66/28/167096628.db2.gz DGRYVTRQZVAEAQ-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000375469440 167141334 /nfs/dbraw/zinc/14/13/34/167141334.db2.gz AJIVRBUZVYTFGC-HZPDHXFCSA-N 1 0 349.431 2.207 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)ccc2c1 ZINC000375901297 167222019 /nfs/dbraw/zinc/22/20/19/167222019.db2.gz BBKXQFWDFSMBDN-IAGOWNOFSA-N 1 0 342.399 2.178 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275079848 269093027 /nfs/dbraw/zinc/09/30/27/269093027.db2.gz DBHNRWSJNSTDHQ-JTQLQIEISA-N 1 0 349.284 2.234 20 5 EEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277530900 269160621 /nfs/dbraw/zinc/16/06/21/269160621.db2.gz MPBBVBAZXHOAGE-CYBMUJFWSA-N 1 0 348.359 2.250 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278033485 269207617 /nfs/dbraw/zinc/20/76/17/269207617.db2.gz RFSOIVPNXOCEOW-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278406821 269229164 /nfs/dbraw/zinc/22/91/64/269229164.db2.gz FAFIGQKCQLNXIP-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO O=C1CCN(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278843613 269245678 /nfs/dbraw/zinc/24/56/78/269245678.db2.gz ZZFCEWKRXFTSJQ-UHFFFAOYSA-N 1 0 331.294 2.326 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279019557 269256839 /nfs/dbraw/zinc/25/68/39/269256839.db2.gz MOLAFBJRAQMYCU-UHFFFAOYSA-N 1 0 348.325 2.317 20 5 EEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349803361 273636911 /nfs/dbraw/zinc/63/69/11/273636911.db2.gz NOUZXTJHYUQARY-UHFFFAOYSA-N 1 0 347.375 2.291 20 5 EEBDRO Cc1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000191620137 274048983 /nfs/dbraw/zinc/04/89/83/274048983.db2.gz JQMURFFJYWGMCY-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1O ZINC000275384478 274243690 /nfs/dbraw/zinc/24/36/90/274243690.db2.gz BQGFDOHESVSPBO-CYBMUJFWSA-N 1 0 332.360 2.238 20 5 EEBDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284882730 274636033 /nfs/dbraw/zinc/63/60/33/274636033.db2.gz BLRMJFUALZGNNY-SNVBAGLBSA-N 1 0 329.422 2.041 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285692135 274776195 /nfs/dbraw/zinc/77/61/95/274776195.db2.gz GYRXNXQODHPCGX-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289307885 275108704 /nfs/dbraw/zinc/10/87/04/275108704.db2.gz STQOIWBIQSDQHM-MRXNPFEDSA-N 1 0 348.359 2.027 20 5 EEBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290956651 275255469 /nfs/dbraw/zinc/25/54/69/275255469.db2.gz NWLAYJJYYWGEDV-NEPJUHHUSA-N 1 0 347.419 2.154 20 5 EEBDRO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000292408722 275423365 /nfs/dbraw/zinc/42/33/65/275423365.db2.gz OZEUMDJOKWUKKF-VIFPVBQESA-N 1 0 331.775 2.244 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175802809 276120159 /nfs/dbraw/zinc/12/01/59/276120159.db2.gz VDIKPXYNUYPGFN-INIZCTEOSA-N 1 0 334.420 2.263 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000416293004 276769805 /nfs/dbraw/zinc/76/98/05/276769805.db2.gz UCDSHWKEOCBRGC-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424019247 278559471 /nfs/dbraw/zinc/55/94/71/278559471.db2.gz JQNZKBOQYGGRLA-ZDUSSCGKSA-N 1 0 335.404 2.082 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[N@@H+]1C ZINC000344233932 279121530 /nfs/dbraw/zinc/12/15/30/279121530.db2.gz CXONQUVLIWAMLF-MLGOLLRUSA-N 1 0 332.404 2.145 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420251289 280357525 /nfs/dbraw/zinc/35/75/25/280357525.db2.gz LHOVWTDOZOBGLG-NSHDSACASA-N 1 0 345.230 2.386 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000283086220 292892183 /nfs/dbraw/zinc/89/21/83/292892183.db2.gz WCIUBFHVDKAVRI-CQSZACIVSA-N 1 0 348.403 2.171 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284103217 293032057 /nfs/dbraw/zinc/03/20/57/293032057.db2.gz MXUSTXOKBGJELU-DZGCQCFKSA-N 1 0 326.418 2.083 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293570701 293241910 /nfs/dbraw/zinc/24/19/10/293241910.db2.gz XZTJWTRJACVJEG-LSDHHAIUSA-N 1 0 344.415 2.019 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000293864592 293313116 /nfs/dbraw/zinc/31/31/16/293313116.db2.gz URPHTYCJMWZYAZ-UHFFFAOYSA-N 1 0 326.418 2.288 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000296778191 294065219 /nfs/dbraw/zinc/06/52/19/294065219.db2.gz CTNZOWUYNMVPJM-GFCCVEGCSA-N 1 0 335.404 2.468 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000297143141 294163154 /nfs/dbraw/zinc/16/31/54/294163154.db2.gz NTUKONNRMNJJHM-HNNXBMFYSA-N 1 0 347.415 2.375 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237793903 295270827 /nfs/dbraw/zinc/27/08/27/295270827.db2.gz YUFNMNIWFCJMRJ-KGLIPLIRSA-N 1 0 332.404 2.052 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)o2)c1 ZINC000414559659 313041540 /nfs/dbraw/zinc/04/15/40/313041540.db2.gz PEKHBMUXXYOIIQ-CJNGLKHVSA-N 1 0 332.356 2.030 20 5 EEBDRO CCOc1cc(NC(=O)NC[C@H]([NH3+])CC)c([N+](=O)[O-])cc1OCC ZINC000414763820 313080446 /nfs/dbraw/zinc/08/04/46/313080446.db2.gz YCHLNTYFJVRXKL-SNVBAGLBSA-N 1 0 340.380 2.251 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415506353 313136177 /nfs/dbraw/zinc/13/61/77/313136177.db2.gz RECOYOPWSXKNFG-UHFFFAOYSA-N 1 0 334.376 2.211 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000415579034 313147754 /nfs/dbraw/zinc/14/77/54/313147754.db2.gz JOPFIOFBBYWBNP-MRXNPFEDSA-N 1 0 336.392 2.102 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417136050 313433393 /nfs/dbraw/zinc/43/33/93/313433393.db2.gz KBLGNEKFMKNLLG-SPWCGHHHSA-N 1 0 332.404 2.343 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760561 313588138 /nfs/dbraw/zinc/58/81/38/313588138.db2.gz GKDOAJMFPWTXGR-UHFFFAOYSA-N 1 0 342.399 2.308 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCOC(C)(C)C1 ZINC000421758183 314156676 /nfs/dbraw/zinc/15/66/76/314156676.db2.gz QMDTZPNEOSDORE-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000422027675 314171682 /nfs/dbraw/zinc/17/16/82/314171682.db2.gz VSLLHQHIEYHGJD-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000422638729 314297674 /nfs/dbraw/zinc/29/76/74/314297674.db2.gz RGKCMADODZUYBY-YRGRVCCFSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000436060172 314938675 /nfs/dbraw/zinc/93/86/75/314938675.db2.gz DAEOHMBYNBBIGR-QWHCGFSZSA-N 1 0 330.388 2.475 20 5 EEBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441378019 315184007 /nfs/dbraw/zinc/18/40/07/315184007.db2.gz CPIQTKOCTAWGHF-FUHWJXTLSA-N 1 0 344.415 2.168 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445200170 315351881 /nfs/dbraw/zinc/35/18/81/315351881.db2.gz ZUNMPJOAHJNSCX-CYBMUJFWSA-N 1 0 336.392 2.080 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000459797032 315760553 /nfs/dbraw/zinc/76/05/53/315760553.db2.gz RUJCKXDJFQCBJP-NSHDSACASA-N 1 0 347.375 2.016 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536628052 318005491 /nfs/dbraw/zinc/00/54/91/318005491.db2.gz WZEHZSPZDSIFLM-ZIAGYGMSSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000551571817 318465220 /nfs/dbraw/zinc/46/52/20/318465220.db2.gz VXEBQLMZJBZFIF-CQSZACIVSA-N 1 0 332.356 2.133 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000563056411 318965505 /nfs/dbraw/zinc/96/55/05/318965505.db2.gz IFOHYKGUQJIEQY-QGZVFWFLSA-N 1 0 340.383 2.010 20 5 EEBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565906454 319226317 /nfs/dbraw/zinc/22/63/17/319226317.db2.gz YERMMKXALYGCIN-YCPHGPKFSA-N 1 0 328.372 2.435 20 5 EEBDRO Cc1n[nH]cc1CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568382820 319482926 /nfs/dbraw/zinc/48/29/26/319482926.db2.gz OAEBFFSUWYHUIM-UHFFFAOYSA-N 1 0 331.376 2.177 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)c1 ZINC000568872998 319525774 /nfs/dbraw/zinc/52/57/74/319525774.db2.gz GTNNZVVATXYYEV-GOSISDBHSA-N 1 0 340.383 2.138 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000571315272 319744428 /nfs/dbraw/zinc/74/44/28/319744428.db2.gz DVHCFWGEKGJEGH-UHFFFAOYSA-N 1 0 338.429 2.394 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000571533981 319764883 /nfs/dbraw/zinc/76/48/83/319764883.db2.gz BMECQTBYVGSEAH-HNNXBMFYSA-N 1 0 348.403 2.313 20 5 EEBDRO [NH3+]CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000573331238 319924856 /nfs/dbraw/zinc/92/48/56/319924856.db2.gz RKWBTVXNNFMDLX-UHFFFAOYSA-N 1 0 331.376 2.206 20 5 EEBDRO CC(C)Oc1cccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000120572586 463013470 /nfs/dbraw/zinc/01/34/70/463013470.db2.gz GAVRHUKVVCBOJZ-MRXNPFEDSA-N 1 0 348.403 2.071 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000347472959 465043462 /nfs/dbraw/zinc/04/34/62/465043462.db2.gz SRNGNPARAVJBEE-GFCCVEGCSA-N 1 0 335.404 2.351 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000327637411 465053049 /nfs/dbraw/zinc/05/30/49/465053049.db2.gz ARAVWJJXBDMCNZ-WMLDXEAASA-N 1 0 346.431 2.151 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000296083825 465075636 /nfs/dbraw/zinc/07/56/36/465075636.db2.gz SRLPBMNYBWHLGY-LBPRGKRZSA-N 1 0 332.404 2.400 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000520868525 468277598 /nfs/dbraw/zinc/27/75/98/468277598.db2.gz HAKYWWODIZNJSU-INIZCTEOSA-N 1 0 330.388 2.274 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000074041619 462546505 /nfs/dbraw/zinc/54/65/05/462546505.db2.gz XHOUJHQRSFQRHB-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083672 462557449 /nfs/dbraw/zinc/55/74/49/462557449.db2.gz XOHZHAAHFSXSSN-UHFFFAOYSA-N 1 0 348.359 2.203 20 5 EEBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)ncc1[N+](=O)[O-] ZINC000074764222 462632012 /nfs/dbraw/zinc/63/20/12/462632012.db2.gz USPUAVHOJCUOBW-SNVBAGLBSA-N 1 0 334.405 2.045 20 5 EEBDRO CC(C)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350007 462697455 /nfs/dbraw/zinc/69/74/55/462697455.db2.gz YXSGCQVBXHEYPX-UHFFFAOYSA-N 1 0 348.403 2.136 20 5 EEBDRO C[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000090539559 462796645 /nfs/dbraw/zinc/79/66/45/462796645.db2.gz JOSUARYZCCUGIG-DOTOQJQBSA-N 1 0 343.431 2.434 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563971 462798407 /nfs/dbraw/zinc/79/84/07/462798407.db2.gz HFNHNMYOUKSOHW-UHFFFAOYSA-N 1 0 349.387 2.071 20 5 EEBDRO CC(C)NC(=O)c1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000091481372 462882782 /nfs/dbraw/zinc/88/27/82/462882782.db2.gz RLEYPDSCXIYGBZ-INIZCTEOSA-N 1 0 334.420 2.485 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000076840680 462916393 /nfs/dbraw/zinc/91/63/93/462916393.db2.gz BGHQWBJICKAGDZ-UHFFFAOYSA-N 1 0 330.392 2.421 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000120176430 462970104 /nfs/dbraw/zinc/97/01/04/462970104.db2.gz XLGGPVWMGGANPO-AWEZNQCLSA-N 1 0 329.360 2.484 20 5 EEBDRO CC(C)C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000023887537 463072277 /nfs/dbraw/zinc/07/22/77/463072277.db2.gz XEBOAGGLYOLYJF-LBPRGKRZSA-N 1 0 343.449 2.387 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000078405132 463113599 /nfs/dbraw/zinc/11/35/99/463113599.db2.gz KMQMXEFYGKWYSF-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000068486823 463143431 /nfs/dbraw/zinc/14/34/31/463143431.db2.gz FFCCNKGVUHRUQV-CQSZACIVSA-N 1 0 332.404 2.335 20 5 EEBDRO O=C(c1ccccc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157580409 463145206 /nfs/dbraw/zinc/14/52/06/463145206.db2.gz WOZWHUGKCKKNMT-UHFFFAOYSA-N 1 0 328.372 2.386 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000028067162 463215945 /nfs/dbraw/zinc/21/59/45/463215945.db2.gz MJSAWTSYPBUWGE-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079718509 463244453 /nfs/dbraw/zinc/24/44/53/463244453.db2.gz VZCVHPMKPHMTJS-LSDHHAIUSA-N 1 0 348.447 2.268 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000491323537 468350129 /nfs/dbraw/zinc/35/01/29/468350129.db2.gz ZXZLHGKTZKWVHM-ZKKXHLJNSA-N 1 0 333.363 2.444 20 5 EEBDRO CN(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000144264960 463373962 /nfs/dbraw/zinc/37/39/62/463373962.db2.gz OTWBVRVDGWKIJW-KRWDZBQOSA-N 1 0 342.399 2.426 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000032757797 463392575 /nfs/dbraw/zinc/39/25/75/463392575.db2.gz IUMQIRJWBXFHTQ-QGZVFWFLSA-N 1 0 328.368 2.393 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000084195419 463584763 /nfs/dbraw/zinc/58/47/63/463584763.db2.gz ABNBIJDIXAZWDV-UHFFFAOYSA-N 1 0 346.387 2.404 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000073536144 463622460 /nfs/dbraw/zinc/62/24/60/463622460.db2.gz RZQTYVJEVFOGMK-UHFFFAOYSA-N 1 0 334.420 2.313 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000268345337 463712500 /nfs/dbraw/zinc/71/25/00/463712500.db2.gz SWIXHPLCTAIEMA-UHFFFAOYSA-N 1 0 339.346 2.175 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000255897263 463752900 /nfs/dbraw/zinc/75/29/00/463752900.db2.gz VNDUMGOMTHETNG-GPCFVJJQSA-N 1 0 331.416 2.405 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000193951018 463764158 /nfs/dbraw/zinc/76/41/58/463764158.db2.gz YTMBNXDKXAPDJH-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872872 463793746 /nfs/dbraw/zinc/79/37/46/463793746.db2.gz UXFCQHPAEAYNEW-YOEHRIQHSA-N 1 0 348.447 2.188 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000553776945 468378911 /nfs/dbraw/zinc/37/89/11/468378911.db2.gz REHQEDDNUJXNDS-IUODEOHRSA-N 1 0 332.404 2.335 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000194284491 463826750 /nfs/dbraw/zinc/82/67/50/463826750.db2.gz YWIHMXXNSBRCFF-UHFFFAOYSA-N 1 0 345.403 2.464 20 5 EEBDRO Cn1c(Sc2c(F)cccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000287425828 463895530 /nfs/dbraw/zinc/89/55/30/463895530.db2.gz UIBFMJMKWWGLTC-SECBINFHSA-N 1 0 337.380 2.481 20 5 EEBDRO C[NH2+]CCC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000261979090 463915947 /nfs/dbraw/zinc/91/59/47/463915947.db2.gz HDTXCNBQWBIJLS-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000178907584 464011131 /nfs/dbraw/zinc/01/11/31/464011131.db2.gz RACBOLKFJLAGIU-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000178980188 464029674 /nfs/dbraw/zinc/02/96/74/464029674.db2.gz KMJOWMNNFYTGPO-NHYWBVRUSA-N 1 0 341.433 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279255086 464080610 /nfs/dbraw/zinc/08/06/10/464080610.db2.gz AJWZUGSNOVGQJK-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000269760967 464084160 /nfs/dbraw/zinc/08/41/60/464084160.db2.gz BGUSPFLCGIRFMN-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO Cn1cc(C[NH2+]Cc2cncn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289780375 464095623 /nfs/dbraw/zinc/09/56/23/464095623.db2.gz JNESATNQVGLBFG-UHFFFAOYSA-N 1 0 326.360 2.019 20 5 EEBDRO Cc1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc1[N+](=O)[O-] ZINC000173076663 464188860 /nfs/dbraw/zinc/18/88/60/464188860.db2.gz HCDAOQMSZMBHCR-LBPRGKRZSA-N 1 0 348.428 2.152 20 5 EEBDRO CC(C)O[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000579707606 468399199 /nfs/dbraw/zinc/39/91/99/468399199.db2.gz AOJCPPQUPNQKBC-CQSZACIVSA-N 1 0 349.387 2.392 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270780996 464267236 /nfs/dbraw/zinc/26/72/36/464267236.db2.gz JMVPKPYPLLABCU-ZBFHGGJFSA-N 1 0 340.383 2.500 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237166945 464277124 /nfs/dbraw/zinc/27/71/24/464277124.db2.gz XRNHVHGUWUCIST-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173965445 464341496 /nfs/dbraw/zinc/34/14/96/464341496.db2.gz ZYIYDEXFOXUOHE-IUODEOHRSA-N 1 0 343.387 2.175 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264605252 464391277 /nfs/dbraw/zinc/39/12/77/464391277.db2.gz DSZDKSQNKZOOQS-NSHDSACASA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000294303312 464459627 /nfs/dbraw/zinc/45/96/27/464459627.db2.gz IWQSAMIQSRXNJF-AWEZNQCLSA-N 1 0 333.432 2.385 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285295355 464513984 /nfs/dbraw/zinc/51/39/84/464513984.db2.gz PCKFBCLHEHXAHP-LSDHHAIUSA-N 1 0 347.415 2.065 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272258087 464539320 /nfs/dbraw/zinc/53/93/20/464539320.db2.gz AIFDWGUXKYNZSR-PXAZEXFGSA-N 1 0 344.415 2.335 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000272371088 464581479 /nfs/dbraw/zinc/58/14/79/464581479.db2.gz RYQXKRVRWBFYMJ-ZIAGYGMSSA-N 1 0 338.433 2.413 20 5 EEBDRO CN(C)C(=O)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000182200019 464598290 /nfs/dbraw/zinc/59/82/90/464598290.db2.gz SODREIHGRLXHRJ-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285631598 464635425 /nfs/dbraw/zinc/63/54/25/464635425.db2.gz KUBACLNVYKLQSQ-KBRIMQKVSA-N 1 0 330.388 2.235 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664022 464649031 /nfs/dbraw/zinc/64/90/31/464649031.db2.gz FMKGQGGBTLDUHI-KGLIPLIRSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000294952349 464660863 /nfs/dbraw/zinc/66/08/63/464660863.db2.gz AWYCAKFIFBBWHU-KGLIPLIRSA-N 1 0 346.431 2.338 20 5 EEBDRO CNC(=O)c1ccc(N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000272586246 464669864 /nfs/dbraw/zinc/66/98/64/464669864.db2.gz VSKNXHDXJORPAW-GFCCVEGCSA-N 1 0 334.420 2.121 20 5 EEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(OC)c1 ZINC000247485152 464684114 /nfs/dbraw/zinc/68/41/14/464684114.db2.gz KMDAJWGFZZEVDY-CJNGLKHVSA-N 1 0 348.403 2.244 20 5 EEBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285762181 464686223 /nfs/dbraw/zinc/68/62/23/464686223.db2.gz WDTSSZXTDKAULQ-UHFFFAOYSA-N 1 0 344.375 2.076 20 5 EEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000182709751 464714321 /nfs/dbraw/zinc/71/43/21/464714321.db2.gz RMCSJKQAACFLOU-GFCCVEGCSA-N 1 0 327.344 2.367 20 5 EEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000182709736 464714382 /nfs/dbraw/zinc/71/43/82/464714382.db2.gz RMCSJKQAACFLOU-LBPRGKRZSA-N 1 0 327.344 2.367 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000295285360 464774540 /nfs/dbraw/zinc/77/45/40/464774540.db2.gz BQVVBUPBWFCHCH-VXGBXAGGSA-N 1 0 331.376 2.489 20 5 EEBDRO Cn1cc([C@@H]2CSCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000191201394 464797091 /nfs/dbraw/zinc/79/70/91/464797091.db2.gz NQAXASXXNAOYJG-HOTGVXAUSA-N 1 0 348.428 2.152 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286317715 464878973 /nfs/dbraw/zinc/87/89/73/464878973.db2.gz KQSDMZNNLWELJC-AAEUAGOBSA-N 1 0 343.387 2.307 20 5 EEBDRO Cn1cncc1[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000276372575 464906785 /nfs/dbraw/zinc/90/67/85/464906785.db2.gz SNMXURSXYBAOER-ZYHUDNBSSA-N 1 0 336.373 2.040 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000249836814 464919227 /nfs/dbraw/zinc/91/92/27/464919227.db2.gz FMCOIMFTAJOBRN-DVOMOZLQSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286475712 464930480 /nfs/dbraw/zinc/93/04/80/464930480.db2.gz LDHNEJVOEIQANS-CUOATXAZSA-N 1 0 341.795 2.420 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192477354 464932807 /nfs/dbraw/zinc/93/28/07/464932807.db2.gz MBMODWSWISQHDU-UPJWGTAASA-N 1 0 335.429 2.095 20 5 EEBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000554600011 468428531 /nfs/dbraw/zinc/42/85/31/468428531.db2.gz QZLFRTQHHPKKRE-GFCCVEGCSA-N 1 0 337.424 2.388 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000359098399 465376028 /nfs/dbraw/zinc/37/60/28/465376028.db2.gz SUWCAKZISOLINE-OAHLLOKOSA-N 1 0 347.463 2.211 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593914870 468431813 /nfs/dbraw/zinc/43/18/13/468431813.db2.gz GQWYVBFJDUWSJI-ZIAGYGMSSA-N 1 0 334.420 2.007 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000359496706 465413496 /nfs/dbraw/zinc/41/34/96/465413496.db2.gz NIDCJERVHDHYRB-LBPRGKRZSA-N 1 0 331.376 2.789 20 5 EEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000359538767 465441637 /nfs/dbraw/zinc/44/16/37/465441637.db2.gz NGCRIGFSGHQRTR-GXFFZTMASA-N 1 0 348.359 2.148 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000356743919 465517125 /nfs/dbraw/zinc/51/71/25/465517125.db2.gz MKEVZEZNAUCMBQ-UHFFFAOYSA-N 1 0 343.387 2.219 20 5 EEBDRO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000299100603 465602299 /nfs/dbraw/zinc/60/22/99/465602299.db2.gz MNYFUOYNVIHNKS-UHFFFAOYSA-N 1 0 343.383 2.222 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000357018538 465705018 /nfs/dbraw/zinc/70/50/18/465705018.db2.gz ABHHUXKGBNRRRS-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330605580 465728087 /nfs/dbraw/zinc/72/80/87/465728087.db2.gz ZHPFEKWSRRETTF-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357082320 465753329 /nfs/dbraw/zinc/75/33/29/465753329.db2.gz HRXWPOIPUQZIKJ-HNNXBMFYSA-N 1 0 346.431 2.163 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594021596 468464237 /nfs/dbraw/zinc/46/42/37/468464237.db2.gz WOAUKXDIELFVEG-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200032 465984114 /nfs/dbraw/zinc/98/41/14/465984114.db2.gz QSGGVHHDXSXLFB-VBQJREDUSA-N 1 0 347.415 2.162 20 5 EEBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000302147944 466106407 /nfs/dbraw/zinc/10/64/07/466106407.db2.gz IYDHUMVULJXTOB-OKILXGFUSA-N 1 0 349.435 2.101 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302659472 466163864 /nfs/dbraw/zinc/16/38/64/466163864.db2.gz AVYFQNQEYVMYDK-NEPJUHHUSA-N 1 0 336.392 2.309 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000362998096 466168774 /nfs/dbraw/zinc/16/87/74/466168774.db2.gz QWCSQJDMNBFKOS-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1c(CNc2cc(-n3cccn3)nc(N)[nH+]2)cccc1[N+](=O)[O-] ZINC000302700194 466169573 /nfs/dbraw/zinc/16/95/73/466169573.db2.gz HSRMJNFUNIRWLK-UHFFFAOYSA-N 1 0 325.332 2.073 20 5 EEBDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202879 466188864 /nfs/dbraw/zinc/18/88/64/466188864.db2.gz ZUJDZHIMZGATPR-RDJZCZTQSA-N 1 0 332.448 2.365 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331719421 466215722 /nfs/dbraw/zinc/21/57/22/466215722.db2.gz IIWIGDLNZQCHJI-CQSZACIVSA-N 1 0 347.415 2.438 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331749017 466231153 /nfs/dbraw/zinc/23/11/53/466231153.db2.gz ZSVKDYRNHZRASU-KDOFPFPSSA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000305455945 466408700 /nfs/dbraw/zinc/40/87/00/466408700.db2.gz TVVACTIQJMHLRA-LRDDRELGSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332243676 466464784 /nfs/dbraw/zinc/46/47/84/466464784.db2.gz AXAHQJNHEOIIBN-LLVKDONJSA-N 1 0 341.358 2.358 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000332264206 466477348 /nfs/dbraw/zinc/47/73/48/466477348.db2.gz OESNYSGSXZYQMV-KRWDZBQOSA-N 1 0 344.415 2.348 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332374351 466531603 /nfs/dbraw/zinc/53/16/03/466531603.db2.gz CMSSLXNGHJRHNJ-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000341047812 466539600 /nfs/dbraw/zinc/53/96/00/466539600.db2.gz MKNCNNCCYQWBTF-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347315473 466558611 /nfs/dbraw/zinc/55/86/11/466558611.db2.gz PXKQGIHNDLHGPH-RHSMWYFYSA-N 1 0 346.431 2.400 20 5 EEBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000354488684 466602593 /nfs/dbraw/zinc/60/25/93/466602593.db2.gz FRKFDFWAFHCYOX-UHFFFAOYSA-N 1 0 343.387 2.317 20 5 EEBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1OC ZINC000354523134 466629096 /nfs/dbraw/zinc/62/90/96/466629096.db2.gz PMIZQXSMUGWCNO-CYBMUJFWSA-N 1 0 347.375 2.117 20 5 EEBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591686483 468503018 /nfs/dbraw/zinc/50/30/18/468503018.db2.gz KOTWMJDENBCQBW-CYBMUJFWSA-N 1 0 339.342 2.331 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423492178 466757291 /nfs/dbraw/zinc/75/72/91/466757291.db2.gz LZXNPPOXJDZLTA-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000411091655 466765492 /nfs/dbraw/zinc/76/54/92/466765492.db2.gz AQLCRCHHDDTDKO-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423652737 466796348 /nfs/dbraw/zinc/79/63/48/466796348.db2.gz XXUFVHGEURSFLZ-KRWDZBQOSA-N 1 0 333.388 2.128 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417723814 466917716 /nfs/dbraw/zinc/91/77/16/466917716.db2.gz XXVNISQRGWGPJK-UONOGXRCSA-N 1 0 349.435 2.084 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000418087211 467042045 /nfs/dbraw/zinc/04/20/45/467042045.db2.gz GHYPTQXBLWGWOC-GFCCVEGCSA-N 1 0 346.309 2.150 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000412354527 467072825 /nfs/dbraw/zinc/07/28/25/467072825.db2.gz BLILCVDEBONAKL-JZXOWHBKSA-N 1 0 329.400 2.253 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428036608 467196607 /nfs/dbraw/zinc/19/66/07/467196607.db2.gz RPZSCMNHTUDTNQ-UHFFFAOYSA-N 1 0 346.387 2.026 20 5 EEBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000432180894 467222644 /nfs/dbraw/zinc/22/26/44/467222644.db2.gz XWTMDWLOQXRVIB-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@H]1C[N@H+](CCCNCc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000432360625 467234243 /nfs/dbraw/zinc/23/42/43/467234243.db2.gz AWNMQLXWOSMYGN-ZDUSSCGKSA-N 1 0 325.384 2.324 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451430551 467256657 /nfs/dbraw/zinc/25/66/57/467256657.db2.gz XZFPTTFOROLVJZ-FMKPAKJESA-N 1 0 347.415 2.467 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000419926811 467269753 /nfs/dbraw/zinc/26/97/53/467269753.db2.gz VJUZJDZPRIVBMY-UHFFFAOYSA-N 1 0 337.424 2.313 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000451850768 467272736 /nfs/dbraw/zinc/27/27/36/467272736.db2.gz XZALPVYOSYHLSG-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000428870159 467277877 /nfs/dbraw/zinc/27/78/77/467277877.db2.gz DQPXZWGPJOYIMO-LLVKDONJSA-N 1 0 347.462 2.070 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327034 467358299 /nfs/dbraw/zinc/35/82/99/467358299.db2.gz COOXRWCTLQNYMC-OCCSQVGLSA-N 1 0 334.420 2.291 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420373928 467383391 /nfs/dbraw/zinc/38/33/91/467383391.db2.gz ZPJRXFLWBAHYGO-CYBMUJFWSA-N 1 0 331.376 2.123 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420406635 467397158 /nfs/dbraw/zinc/39/71/58/467397158.db2.gz RGYSEEACZKIEEM-JSGCOSHPSA-N 1 0 340.383 2.312 20 5 EEBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000391613896 467421336 /nfs/dbraw/zinc/42/13/36/467421336.db2.gz JTRZXOBSJYHILH-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO CC[NH2+]CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430549216 467437651 /nfs/dbraw/zinc/43/76/51/467437651.db2.gz IASCWAZRWYULAU-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO C[NH+](C)C1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000420631580 467437961 /nfs/dbraw/zinc/43/79/61/467437961.db2.gz VKROHTSTFRPZOH-UHFFFAOYSA-N 1 0 341.433 2.283 20 5 EEBDRO COc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370252 467463138 /nfs/dbraw/zinc/46/31/38/467463138.db2.gz IFGJZFDBSDIFFP-VHSXEESVSA-N 1 0 345.346 2.374 20 5 EEBDRO COc1cc(CN2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435376538 467464117 /nfs/dbraw/zinc/46/41/17/467464117.db2.gz RHVLXICDCUJYLX-ZJUUUORDSA-N 1 0 345.346 2.387 20 5 EEBDRO COc1ccc(-c2ccc(CN3CCO[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435396581 467465788 /nfs/dbraw/zinc/46/57/88/467465788.db2.gz ZKBJOYZPRPODEU-CQSZACIVSA-N 1 0 347.371 2.023 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420748865 467471492 /nfs/dbraw/zinc/47/14/92/467471492.db2.gz RAXJUVNUEDCABG-UHFFFAOYSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430922803 467475381 /nfs/dbraw/zinc/47/53/81/467475381.db2.gz ANAOMGNNMGYTDM-LLVKDONJSA-N 1 0 331.376 2.204 20 5 EEBDRO CNc1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454367799 467588246 /nfs/dbraw/zinc/58/82/46/467588246.db2.gz HUYMTVZGSABOEB-AWEZNQCLSA-N 1 0 343.387 2.064 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000447801535 467588761 /nfs/dbraw/zinc/58/87/61/467588761.db2.gz CTUTZSSYHAOPMJ-CQSZACIVSA-N 1 0 329.404 3.070 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449591745 467667651 /nfs/dbraw/zinc/66/76/51/467667651.db2.gz QYKASELFJLLWSD-DVOMOZLQSA-N 1 0 335.404 2.453 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457933329 467734140 /nfs/dbraw/zinc/73/41/40/467734140.db2.gz DMDNVABQUNTDNP-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO CO[C@H]1COCC[C@@H]1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000450700222 467894463 /nfs/dbraw/zinc/89/44/63/467894463.db2.gz LWVVCKCZBUKVEM-PXAZEXFGSA-N 1 0 331.372 2.337 20 5 EEBDRO CC(C)[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487976693 468064549 /nfs/dbraw/zinc/06/45/49/468064549.db2.gz ZWSNPANTYAYMLU-INIZCTEOSA-N 1 0 334.420 2.195 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488036519 468068858 /nfs/dbraw/zinc/06/88/58/468068858.db2.gz RPBNPIIPGMOKHK-WFASDCNBSA-N 1 0 335.404 2.331 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488355972 468082530 /nfs/dbraw/zinc/08/25/30/468082530.db2.gz YJOOERJHWLJVFV-UFBFGSQYSA-N 1 0 342.193 2.494 20 5 EEBDRO C[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000488996699 468115796 /nfs/dbraw/zinc/11/57/96/468115796.db2.gz ZHZSJIBGGHYNDT-CQSZACIVSA-N 1 0 336.436 2.037 20 5 EEBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590192593 468222044 /nfs/dbraw/zinc/22/20/44/468222044.db2.gz TVKIUCWERWTNMG-KRWDZBQOSA-N 1 0 336.388 2.397 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590404362 468247118 /nfs/dbraw/zinc/24/71/18/468247118.db2.gz ZRHDDRKVFRIYFJ-ZUZCIYMTSA-N 1 0 344.371 2.013 20 5 EEBDRO CCC(C)(C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000556422240 468527191 /nfs/dbraw/zinc/52/71/91/468527191.db2.gz NFLDRJYDMHPRAO-LBPRGKRZSA-N 1 0 343.449 2.287 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594434036 468584519 /nfs/dbraw/zinc/58/45/19/468584519.db2.gz JNYZVHBFNCKWFA-SJLPKXTDSA-N 1 0 331.416 2.423 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000592140015 468634170 /nfs/dbraw/zinc/63/41/70/468634170.db2.gz SYENEIWQCWTTSX-WBVHZDCISA-N 1 0 343.383 2.219 20 5 EEBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000592329193 468678246 /nfs/dbraw/zinc/67/82/46/468678246.db2.gz PENSIDBKRWKRGF-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO Cc1cc(N[C@H]2CC[NH2+]C23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600950395 468694285 /nfs/dbraw/zinc/69/42/85/468694285.db2.gz GPPPFPMZVSGSQM-HNNXBMFYSA-N 1 0 339.399 2.479 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC([NH2+]CC3CC3)CC1)OCCO2 ZINC000592427675 468695763 /nfs/dbraw/zinc/69/57/63/468695763.db2.gz PGWGIOPNWYUYHZ-UHFFFAOYSA-N 1 0 347.415 2.330 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000592428597 468695816 /nfs/dbraw/zinc/69/58/16/468695816.db2.gz DHUMHNLEZLVPKZ-SJCJKPOMSA-N 1 0 331.372 2.403 20 5 EEBDRO O=C(CC[NH2+]CCc1ccc(CO)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000592430638 468696985 /nfs/dbraw/zinc/69/69/85/468696985.db2.gz YENIAWKWCIALJT-UHFFFAOYSA-N 1 0 343.383 2.248 20 5 EEBDRO CNc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597861853 468697129 /nfs/dbraw/zinc/69/71/29/468697129.db2.gz XHTOUBANEJAXEQ-GFCCVEGCSA-N 1 0 334.420 2.487 20 5 EEBDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000583517070 468709940 /nfs/dbraw/zinc/70/99/40/468709940.db2.gz AWEZNXPXXFBVFU-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO Cc1cnccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583651027 468734501 /nfs/dbraw/zinc/73/45/01/468734501.db2.gz FKGHLFUAQIEFTR-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO Cn1cc(C[NH2+]C[C@H](CO)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594984378 468738284 /nfs/dbraw/zinc/73/82/84/468738284.db2.gz UHTOFDNXSNFNAA-CQSZACIVSA-N 1 0 344.415 2.494 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000595015592 468743982 /nfs/dbraw/zinc/74/39/82/468743982.db2.gz ZFIMSAIDWBCGFG-IHRRRGAJSA-N 1 0 337.420 2.363 20 5 EEBDRO C[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000559758598 468754306 /nfs/dbraw/zinc/75/43/06/468754306.db2.gz GMTWATDSJNTNSU-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097592 468758123 /nfs/dbraw/zinc/75/81/23/468758123.db2.gz YUCIFEOVTWFSHO-NVXWUHKLSA-N 1 0 343.431 2.492 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593088504 468865824 /nfs/dbraw/zinc/86/58/24/468865824.db2.gz FOIKMIFCYJAEIC-UHFFFAOYSA-N 1 0 349.362 2.460 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505225 468880104 /nfs/dbraw/zinc/88/01/04/468880104.db2.gz QVTGRHIJCAHYCJ-KSSFIOAISA-N 1 0 346.431 2.340 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000598538187 468905649 /nfs/dbraw/zinc/90/56/49/468905649.db2.gz ZQXGOSDSOKLGCB-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598600353 468928020 /nfs/dbraw/zinc/92/80/20/468928020.db2.gz DAYATUQBBPFQCI-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598604432 468929145 /nfs/dbraw/zinc/92/91/45/468929145.db2.gz OBZREDQYRPKZPM-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682810 468957730 /nfs/dbraw/zinc/95/77/30/468957730.db2.gz PAZBUTKEEPBUIM-OGHNNQOOSA-N 1 0 332.404 2.043 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000610539199 468996455 /nfs/dbraw/zinc/99/64/55/468996455.db2.gz FCNUFTCMLOOACF-BFQNTYOBSA-N 1 0 343.387 2.173 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000614780420 469050855 /nfs/dbraw/zinc/05/08/55/469050855.db2.gz PMDXNSFPTLERLJ-YVEFUNNKSA-N 1 0 347.415 2.007 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000602779741 469068984 /nfs/dbraw/zinc/06/89/84/469068984.db2.gz NVYDOESDEYWEKM-QGZVFWFLSA-N 1 0 343.431 2.306 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000602805830 469087276 /nfs/dbraw/zinc/08/72/76/469087276.db2.gz QQZSARBNIHJUMM-UHFFFAOYSA-N 1 0 345.403 2.347 20 5 EEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587997142 469101322 /nfs/dbraw/zinc/10/13/22/469101322.db2.gz GZLXHOWNULPHPK-AWEZNQCLSA-N 1 0 336.411 2.339 20 5 EEBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000562991719 469127173 /nfs/dbraw/zinc/12/71/73/469127173.db2.gz HIRRPUVRQNCXDL-VBQJREDUSA-N 1 0 338.404 2.128 20 5 EEBDRO Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596086731 469148053 /nfs/dbraw/zinc/14/80/53/469148053.db2.gz CIAVRKQVOWTNHM-UHFFFAOYSA-N 1 0 338.477 2.429 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563156711 469183992 /nfs/dbraw/zinc/18/39/92/469183992.db2.gz OAKLVBUWYPLONA-HNNXBMFYSA-N 1 0 348.447 2.301 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602959552 469190881 /nfs/dbraw/zinc/19/08/81/469190881.db2.gz XANIDRDXQANVSY-UHFFFAOYSA-N 1 0 335.408 2.058 20 5 EEBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000589162109 469205153 /nfs/dbraw/zinc/20/51/53/469205153.db2.gz HXQIUDAYDKEXTK-STQMWFEESA-N 1 0 349.309 2.071 20 5 EEBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187845 469209619 /nfs/dbraw/zinc/20/96/19/469209619.db2.gz ZGXYIIRRDLMVGH-MAJSYBNXSA-N 1 0 331.416 2.403 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nncn2CC)cc1[N+](=O)[O-] ZINC000611335998 469230182 /nfs/dbraw/zinc/23/01/82/469230182.db2.gz HYPJFUICOTYSGT-GFCCVEGCSA-N 1 0 333.392 2.498 20 5 EEBDRO COc1ccc(CN2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] ZINC000611463204 469254450 /nfs/dbraw/zinc/25/44/50/469254450.db2.gz YTTKDMCHZYRFOD-UHFFFAOYSA-N 1 0 347.415 2.436 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000564913762 469263412 /nfs/dbraw/zinc/26/34/12/469263412.db2.gz ZHFMVKIGLDKVEJ-SUMWQHHRSA-N 1 0 343.387 2.831 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596638005 469317711 /nfs/dbraw/zinc/31/77/11/469317711.db2.gz RCPPUIKWTZHFFR-HNNXBMFYSA-N 1 0 348.403 2.278 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611825120 469330488 /nfs/dbraw/zinc/33/04/88/469330488.db2.gz KCODYEPTHBFRCE-NSHDSACASA-N 1 0 336.392 2.455 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602497914 469340717 /nfs/dbraw/zinc/34/07/17/469340717.db2.gz XVJCZPSXWVXECU-BDAKNGLRSA-N 1 0 342.193 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)cn1 ZINC000602514028 469345576 /nfs/dbraw/zinc/34/55/76/469345576.db2.gz KJOZIPGJORJQMV-DLBZAZTESA-N 1 0 345.447 2.175 20 5 EEBDRO CCCC(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000603849098 469436640 /nfs/dbraw/zinc/43/66/40/469436640.db2.gz AGZZEUSIACUUGV-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)n1 ZINC000618761236 469440791 /nfs/dbraw/zinc/44/07/91/469440791.db2.gz SEYAAIPZOKDOBW-AWEZNQCLSA-N 1 0 344.371 2.268 20 5 EEBDRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612461797 469473501 /nfs/dbraw/zinc/47/35/01/469473501.db2.gz FCPGDMUDQXYNHU-GWCFXTLKSA-N 1 0 335.360 2.290 20 5 EEBDRO CC(C)[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000617101467 469593599 /nfs/dbraw/zinc/59/35/99/469593599.db2.gz BREIYMFULHQQSR-OAHLLOKOSA-N 1 0 335.404 2.138 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871597 469693207 /nfs/dbraw/zinc/69/32/07/469693207.db2.gz PDSWSBIUONBMEE-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609222790 469903494 /nfs/dbraw/zinc/90/34/94/469903494.db2.gz HPIPBBVUKXIKEI-GFCCVEGCSA-N 1 0 346.387 2.297 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609386593 469924275 /nfs/dbraw/zinc/92/42/75/469924275.db2.gz XXSZUQUKSUMOTI-ZFWWWQNUSA-N 1 0 334.420 2.384 20 5 EEBDRO CCn1cnnc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609851443 469965987 /nfs/dbraw/zinc/96/59/87/469965987.db2.gz KSQASNGLONTDEH-UHFFFAOYSA-N 1 0 341.318 2.140 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000610336855 470005073 /nfs/dbraw/zinc/00/50/73/470005073.db2.gz PFFJTTFCNPBZDG-SCRDCRAPSA-N 1 0 326.418 2.160 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131193386 533929073 /nfs/dbraw/zinc/92/90/73/533929073.db2.gz ZMBWHIYLBVJBSL-ZYHUDNBSSA-N 1 0 341.795 2.355 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000420398940 534028471 /nfs/dbraw/zinc/02/84/71/534028471.db2.gz HGLGIOJOVMXKJV-MNOVXSKESA-N 1 0 340.811 2.103 20 5 EEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191644702 528436562 /nfs/dbraw/zinc/43/65/62/528436562.db2.gz FOQDYEZDMRELDV-QGZVFWFLSA-N 1 0 335.404 2.067 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000111352738 535491533 /nfs/dbraw/zinc/49/15/33/535491533.db2.gz CGGOMDRAPSVDKZ-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451635868 536646090 /nfs/dbraw/zinc/64/60/90/536646090.db2.gz YRGOMPOGLOPVJD-CHWSQXEVSA-N 1 0 327.768 2.344 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424046796 536951387 /nfs/dbraw/zinc/95/13/87/536951387.db2.gz WGHRVIFVIYRPHZ-INIZCTEOSA-N 1 0 347.415 2.454 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738142278 578000688 /nfs/dbraw/zinc/00/06/88/578000688.db2.gz BOYJAFFQKJXSJI-KRWDZBQOSA-N 1 0 329.404 2.442 20 5 EEBDRO CCc1n[nH]c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000738515966 578017820 /nfs/dbraw/zinc/01/78/20/578017820.db2.gz GOCKZYLEEVVAKO-UHFFFAOYSA-N 1 0 345.403 2.214 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1cccc([N+](=O)[O-])c1C ZINC000727981575 576465428 /nfs/dbraw/zinc/46/54/28/576465428.db2.gz OJZMADKUQKXVPE-GFCCVEGCSA-N 1 0 337.449 2.179 20 5 EEBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000773115945 577316961 /nfs/dbraw/zinc/31/69/61/577316961.db2.gz BXBXMQBWHMQKCJ-CQSZACIVSA-N 1 0 347.337 2.467 20 5 EEBDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776274213 577456203 /nfs/dbraw/zinc/45/62/03/577456203.db2.gz CDMOXXPCVQTFPP-QGZVFWFLSA-N 1 0 343.383 2.120 20 5 EEBDRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277113 577456524 /nfs/dbraw/zinc/45/65/24/577456524.db2.gz PGVRDHZLXQSWJQ-KRWDZBQOSA-N 1 0 343.383 2.120 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000776582184 577463220 /nfs/dbraw/zinc/46/32/20/577463220.db2.gz LOUGNOPPQMKMSV-INIZCTEOSA-N 1 0 332.356 2.474 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000776587454 577463385 /nfs/dbraw/zinc/46/33/85/577463385.db2.gz HEPYJQWJFIGWKN-MAUKXSAKSA-N 1 0 333.432 2.436 20 5 EEBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591264 577463636 /nfs/dbraw/zinc/46/36/36/577463636.db2.gz INNCEOCLHWTCKL-SOLBZPMBSA-N 1 0 349.431 2.350 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766145987 577513775 /nfs/dbraw/zinc/51/37/75/577513775.db2.gz DNPQUTZYDNAVHK-LBPRGKRZSA-N 1 0 328.372 2.357 20 5 EEBDRO COc1ccc(OCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250563 577803059 /nfs/dbraw/zinc/80/30/59/577803059.db2.gz JXDHPJMFTFPSMU-KRWDZBQOSA-N 1 0 332.356 2.305 20 5 EEBDRO COc1ccc(OC)c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250117 577803118 /nfs/dbraw/zinc/80/31/18/577803118.db2.gz AZPLHCWJJSSNMB-INIZCTEOSA-N 1 0 332.356 2.435 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736568401 578212103 /nfs/dbraw/zinc/21/21/03/578212103.db2.gz BJUASWCYINPYKE-NWDGAFQWSA-N 1 0 345.407 2.084 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821189550 607160795 /nfs/dbraw/zinc/16/07/95/607160795.db2.gz ONQAFAOFIBYNOY-LLVKDONJSA-N 1 0 348.411 2.092 20 5 EEBDRO CCOC[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000177633941 675988611 /nfs/dbraw/zinc/98/86/11/675988611.db2.gz MFFAUSTXKWBZSL-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000891934348 677714949 /nfs/dbraw/zinc/71/49/49/677714949.db2.gz ZERHDFSRSIMSGE-CQSZACIVSA-N 1 0 335.404 2.369 20 5 EEBDRO CC(C)=CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041597 677766566 /nfs/dbraw/zinc/76/65/66/677766566.db2.gz JUVIMVLOQFVHHD-UHFFFAOYSA-N 1 0 347.419 2.434 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892111542 678013227 /nfs/dbraw/zinc/01/32/27/678013227.db2.gz MLYUAHOWNDDVDV-RVSPLBMKSA-N 1 0 332.404 2.249 20 5 EEBDRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261821009 681580553 /nfs/dbraw/zinc/58/05/53/681580553.db2.gz UNHYCFWZNXRGGG-GHMZBOCLSA-N 1 0 340.811 2.259 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC000983030484 681693019 /nfs/dbraw/zinc/69/30/19/681693019.db2.gz DTEKKIFJGGNQGZ-MQMHXKEQSA-N 1 0 329.356 2.486 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000894370332 682669095 /nfs/dbraw/zinc/66/90/95/682669095.db2.gz VLZKNLFAPNHHCT-UHFFFAOYSA-N 1 0 338.371 2.203 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001059233681 683489381 /nfs/dbraw/zinc/48/93/81/683489381.db2.gz WVUYIXRVAJAXGM-HDJSIYSDSA-N 1 0 332.404 2.058 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000895253103 684386686 /nfs/dbraw/zinc/38/66/86/684386686.db2.gz ONYAMFPVUYCPSO-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000985402451 686545914 /nfs/dbraw/zinc/54/59/14/686545914.db2.gz QACRRKSMHATPNK-UHFFFAOYSA-N 1 0 349.431 2.179 20 5 EEBDRO C[NH+](C)CCONC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897875648 691809240 /nfs/dbraw/zinc/80/92/40/691809240.db2.gz HIQIYVDRESMZBO-UHFFFAOYSA-N 1 0 340.138 2.264 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001034644187 1196465651 /nfs/dbraw/zinc/46/56/51/1196465651.db2.gz DLTMRFLEESYWAG-BRSBDYLESA-N 1 0 345.443 2.486 20 5 EEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000794717243 1197910124 /nfs/dbraw/zinc/91/01/24/1197910124.db2.gz KMFXNRCIMKLMJJ-MEDUHNTESA-N 1 0 331.347 2.481 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866009053 1198452974 /nfs/dbraw/zinc/45/29/74/1198452974.db2.gz BKZVUWTUBBTPCL-ZDUSSCGKSA-N 1 0 335.379 2.221 20 5 EEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873081124 1198494634 /nfs/dbraw/zinc/49/46/34/1198494634.db2.gz WFHSKQGMGSGQQG-ZDUSSCGKSA-N 1 0 341.433 2.134 20 5 EEBDRO CC[C@@H]1COCCN1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000874702857 1198951762 /nfs/dbraw/zinc/95/17/62/1198951762.db2.gz OPZKICVEDZKFIG-OAHLLOKOSA-N 1 0 349.431 2.099 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000825785924 1199228403 /nfs/dbraw/zinc/22/84/03/1199228403.db2.gz YYXGRZVQVLQCDI-OAHLLOKOSA-N 1 0 345.399 2.151 20 5 EEBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1 ZINC001134079867 1199298200 /nfs/dbraw/zinc/29/82/00/1199298200.db2.gz GCYFQOBLKOHREP-UHFFFAOYSA-N 1 0 342.399 2.001 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877290677 1199896639 /nfs/dbraw/zinc/89/66/39/1199896639.db2.gz YMJWEYPXHYGKQW-HIFRSBDPSA-N 1 0 330.388 2.136 20 5 EEBDRO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000795118851 1200651212 /nfs/dbraw/zinc/65/12/12/1200651212.db2.gz AMTDJFAXRMDFNE-KSSFIOAISA-N 1 0 333.432 2.434 20 5 EEBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866286459 1201483889 /nfs/dbraw/zinc/48/38/89/1201483889.db2.gz XLUBQCHLEVRHAF-GHMZBOCLSA-N 1 0 332.397 2.078 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000866346036 1201497117 /nfs/dbraw/zinc/49/71/17/1201497117.db2.gz GTYDHMCLXZSNFX-NXEZZACHSA-N 1 0 334.355 2.337 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000866369690 1201501532 /nfs/dbraw/zinc/50/15/32/1201501532.db2.gz NCZBZRFIFMHZDB-UGFHNGPFSA-N 1 0 335.379 2.408 20 5 EEBDRO Cc1ccc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000882815688 1201949686 /nfs/dbraw/zinc/94/96/86/1201949686.db2.gz NRZPLHMUQWIQMG-UHFFFAOYSA-N 1 0 346.431 2.213 20 5 EEBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886147442 1202477294 /nfs/dbraw/zinc/47/72/94/1202477294.db2.gz SWBUFJUNHOINBH-LBPRGKRZSA-N 1 0 336.392 2.336 20 5 EEBDRO Cc1ccc(N(C)CCCNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001095723189 1205924371 /nfs/dbraw/zinc/92/43/71/1205924371.db2.gz XGKOEACJROZUNJ-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001095721596 1205924505 /nfs/dbraw/zinc/92/45/05/1205924505.db2.gz ORPZKJKIFSRYGU-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO O=C(Nc1cccc(Cl)c1)N1CCCN(CC[N+](=O)[O-])CC1 ZINC000929924170 1206518002 /nfs/dbraw/zinc/51/80/02/1206518002.db2.gz HHZBMNFWZWIIIU-UHFFFAOYSA-N 1 0 326.784 2.156 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000931039179 1206602143 /nfs/dbraw/zinc/60/21/43/1206602143.db2.gz OQHWFJIUUSUGBQ-SMDDNHRTSA-N 1 0 331.376 2.169 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933054585 1207719287 /nfs/dbraw/zinc/71/92/87/1207719287.db2.gz GXEOYXHPEWMVRV-HNNXBMFYSA-N 1 0 336.388 2.109 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933904610 1207866642 /nfs/dbraw/zinc/86/66/42/1207866642.db2.gz ZCNKHPNWSYMBLZ-OAHLLOKOSA-N 1 0 349.387 2.069 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001111311258 1210132990 /nfs/dbraw/zinc/13/29/90/1210132990.db2.gz WAENCUDTBXBLFH-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000118572060 1229349678 /nfs/dbraw/zinc/34/96/78/1229349678.db2.gz XWZCDHMSOCWNNU-MRXNPFEDSA-N 1 0 332.356 2.435 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cncs1 ZINC001020010683 1229439393 /nfs/dbraw/zinc/43/93/93/1229439393.db2.gz ZIAMVVVXQHOCAB-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(OCCOc1ccccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000801872229 1236329972 /nfs/dbraw/zinc/32/99/72/1236329972.db2.gz YFSFPMREWPJGHP-UHFFFAOYSA-N 1 0 334.372 2.391 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000902543389 1237844766 /nfs/dbraw/zinc/84/47/66/1237844766.db2.gz SAQTVTZSXCHKLY-HNNXBMFYSA-N 1 0 346.435 2.268 20 5 EEBDRO O=C(NC1(C2CC[NH+](Cc3ccccc3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000154095 1240003479 /nfs/dbraw/zinc/00/34/79/1240003479.db2.gz NWIROQNLIZIMNJ-IAGOWNOFSA-N 1 0 343.427 2.213 20 5 EEBDRO C[NH+]1CCC(C(=O)NCCN(c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001101359161 1245711843 /nfs/dbraw/zinc/71/18/43/1245711843.db2.gz JZUCYXCXLQBGFP-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO CC1(C)OC[C@@H](CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851714630 1277726711 /nfs/dbraw/zinc/72/67/11/1277726711.db2.gz IMZQDMULVRFVSR-MRXNPFEDSA-N 1 0 335.404 2.258 20 5 EEBDRO C[C@H](Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218344203 1297637415 /nfs/dbraw/zinc/63/74/15/1297637415.db2.gz RYBFRPFTCSNSSN-ZBEGNZNMSA-N 1 0 329.356 2.090 20 5 EEBDRO CC(C)OCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222547967 1299673039 /nfs/dbraw/zinc/67/30/39/1299673039.db2.gz MVEHZILADKYGNJ-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO CC[N@@H+]1CCC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227453637 1301835923 /nfs/dbraw/zinc/83/59/23/1301835923.db2.gz VVUJANUZOYEJRX-HNNXBMFYSA-N 1 0 340.379 2.394 20 5 EEBDRO COC(=O)C[C@@H]1CC(c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)=NO1 ZINC001229689195 1302917082 /nfs/dbraw/zinc/91/70/82/1302917082.db2.gz JGHJWOCLZSDXGA-CJNGLKHVSA-N 1 0 335.424 2.216 20 5 EEBDRO Cc1cnc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001111815250 1303932981 /nfs/dbraw/zinc/93/29/81/1303932981.db2.gz AMMRMBYAZXPOIL-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677551 1304326388 /nfs/dbraw/zinc/32/63/88/1304326388.db2.gz OVZCUTWZNSWJEW-DZGCQCFKSA-N 1 0 344.795 2.158 20 5 EEBDRO C[N@H+](CCCNC(=O)COC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001234415208 1304914388 /nfs/dbraw/zinc/91/43/88/1304914388.db2.gz VCVGQBSIMMLQFK-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000799336521 1305230662 /nfs/dbraw/zinc/23/06/62/1305230662.db2.gz NNTRUPOBHUXDJU-MOPGFXCFSA-N 1 0 342.395 2.442 20 5 EEBDRO CN1CC[NH+](CC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC001120786062 1309749247 /nfs/dbraw/zinc/74/92/47/1309749247.db2.gz BGWVUWYOZRLMIJ-UHFFFAOYSA-N 1 0 336.411 2.198 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1F ZINC001246561931 1310343043 /nfs/dbraw/zinc/34/30/43/1310343043.db2.gz HHAOUSPJNAJCFM-MDZLAQPJSA-N 1 0 325.384 2.343 20 5 EEBDRO O[C@H]1CC[NH2+]C[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247756158 1310713155 /nfs/dbraw/zinc/71/31/55/1310713155.db2.gz INFNLCURURLZCV-HIFRSBDPSA-N 1 0 347.378 2.271 20 5 EEBDRO CCOCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001161222516 1315561881 /nfs/dbraw/zinc/56/18/81/1315561881.db2.gz JVVHEZAGPVUHMN-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO C[C@@H]1[C@H](C)C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000841693841 1315598875 /nfs/dbraw/zinc/59/88/75/1315598875.db2.gz WCNRNQBNAGUTOL-UPJWGTAASA-N 1 0 346.387 2.297 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857864 1315625558 /nfs/dbraw/zinc/62/55/58/1315625558.db2.gz KDMGVCADDVZNAV-MWLCHTKSSA-N 1 0 326.784 2.175 20 5 EEBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC(=O)C1 ZINC000842801132 1315776089 /nfs/dbraw/zinc/77/60/89/1315776089.db2.gz CURJJWYKUHEOSH-BBRMVZONSA-N 1 0 332.356 2.082 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000843069143 1315834886 /nfs/dbraw/zinc/83/48/86/1315834886.db2.gz NZVDFHCLVDUMAA-KBXCAEBGSA-N 1 0 348.374 2.208 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000843356030 1315898574 /nfs/dbraw/zinc/89/85/74/1315898574.db2.gz BOEUJHGOYDHXBX-LBPRGKRZSA-N 1 0 338.364 2.257 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC001149630330 1316000777 /nfs/dbraw/zinc/00/07/77/1316000777.db2.gz QARGHGJXOUMOTA-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2n(c1)CCCC2 ZINC001153924326 1316917124 /nfs/dbraw/zinc/91/71/24/1316917124.db2.gz PAMMGHIVNOFERP-UHFFFAOYSA-N 1 0 342.399 2.252 20 5 EEBDRO C[NH+](C)C[C@H]1COCCN1c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001154968689 1317404054 /nfs/dbraw/zinc/40/40/54/1317404054.db2.gz PETOTQBQDHIMOI-QMMMGPOBSA-N 1 0 335.191 2.063 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001155253530 1317523675 /nfs/dbraw/zinc/52/36/75/1317523675.db2.gz BUCXWVJWRHEJSM-QMMMGPOBSA-N 1 0 328.332 2.060 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001155300963 1317543966 /nfs/dbraw/zinc/54/39/66/1317543966.db2.gz YSMHYXMEFUJLQI-GFCCVEGCSA-N 1 0 342.355 2.188 20 5 EEBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155517104 1317632482 /nfs/dbraw/zinc/63/24/82/1317632482.db2.gz QLSZKVWYRYYVID-QFYYESIMSA-N 1 0 348.790 2.444 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1Cl ZINC001155616451 1317675631 /nfs/dbraw/zinc/67/56/31/1317675631.db2.gz DJQJISUARFAAFS-HZMBPMFUSA-N 1 0 326.784 2.275 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001155624839 1317680197 /nfs/dbraw/zinc/68/01/97/1317680197.db2.gz JARBGMXSOWHQLB-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccnc4c3ccc3cccnc34)C[C@H]2C1 ZINC001155810062 1317742958 /nfs/dbraw/zinc/74/29/58/1317742958.db2.gz JGUVWRNYNLYWIM-GASCZTMLSA-N 1 0 332.407 2.417 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532061 1318112389 /nfs/dbraw/zinc/11/23/89/1318112389.db2.gz JJBBKTHTORMNRA-NSHDSACASA-N 1 0 332.360 2.230 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1N1CCOCC1 ZINC001254548230 1318119307 /nfs/dbraw/zinc/11/93/07/1318119307.db2.gz LRMGJBKIEADDEO-KYJSFNMBSA-N 1 0 333.432 2.369 20 5 EEBDRO COc1cccc(C[C@@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254579901 1318129777 /nfs/dbraw/zinc/12/97/77/1318129777.db2.gz WVPNJFKWJIOFAN-IRXDYDNUSA-N 1 0 342.395 2.264 20 5 EEBDRO COC(=O)c1ccnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585827 1318134743 /nfs/dbraw/zinc/13/47/43/1318134743.db2.gz XJYPIEPTAJIJAS-CQSZACIVSA-N 1 0 327.340 2.033 20 5 EEBDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589024 1318135906 /nfs/dbraw/zinc/13/59/06/1318135906.db2.gz KXQIWMGDJNFZQA-WMZOPIPTSA-N 1 0 347.459 2.399 20 5 EEBDRO CCN1CC[C@@]2(C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C)C1=O ZINC001254597445 1318137998 /nfs/dbraw/zinc/13/79/98/1318137998.db2.gz SJGQPEBRBMRPKF-IXDGSTSKSA-N 1 0 343.427 2.252 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ccncn1)C1CC[NH2+]CC1)C2 ZINC001254610351 1318143483 /nfs/dbraw/zinc/14/34/83/1318143483.db2.gz JZIFMTBXGDNWHA-QGZVFWFLSA-N 1 0 339.399 2.111 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001157120461 1318421447 /nfs/dbraw/zinc/42/14/47/1318421447.db2.gz MYMGKEVKCBURAG-CYBMUJFWSA-N 1 0 344.371 2.349 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001255586300 1318472963 /nfs/dbraw/zinc/47/29/63/1318472963.db2.gz AWOXGPSEKIEHSU-UHFFFAOYSA-N 1 0 341.383 2.303 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H](CO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083327 1318643499 /nfs/dbraw/zinc/64/34/99/1318643499.db2.gz RQSPFAVAJDOYDW-OAHLLOKOSA-N 1 0 337.420 2.179 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cnco3)CC2)ccc1[N+](=O)[O-] ZINC001256086920 1318643909 /nfs/dbraw/zinc/64/39/09/1318643909.db2.gz IMNACGNUHVDENC-UHFFFAOYSA-N 1 0 332.360 2.350 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157537310 1318702262 /nfs/dbraw/zinc/70/22/62/1318702262.db2.gz CJCOAWHCXNMSKC-UHFFFAOYSA-N 1 0 334.767 2.323 20 5 EEBDRO CCOCC(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159143705 1319637025 /nfs/dbraw/zinc/63/70/25/1319637025.db2.gz BAZZBGDRASDMJZ-UHFFFAOYSA-N 1 0 347.415 2.270 20 5 EEBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001160004026 1320047369 /nfs/dbraw/zinc/04/73/69/1320047369.db2.gz IZEUXBLWNXCSRG-LBPRGKRZSA-N 1 0 326.356 2.370 20 5 EEBDRO Cc1nc(NCc2ccccc2N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001160108596 1320072323 /nfs/dbraw/zinc/07/23/23/1320072323.db2.gz RCRGWCPQEVUWDF-UHFFFAOYSA-N 1 0 327.388 2.320 20 5 EEBDRO O=C(COCC1CCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001160137523 1320081233 /nfs/dbraw/zinc/08/12/33/1320081233.db2.gz PNPCGXOZQIUUPJ-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc3cccc(C[NH3+])c32)n1 ZINC001160459350 1320167227 /nfs/dbraw/zinc/16/72/27/1320167227.db2.gz OUTOZDGFRVFIOW-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001161364043 1320475145 /nfs/dbraw/zinc/47/51/45/1320475145.db2.gz KDRRFBQDQKEVQF-HAQNSBGRSA-N 1 0 332.339 2.327 20 5 EEBDRO CCCc1n[nH]cc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161671960 1320582064 /nfs/dbraw/zinc/58/20/64/1320582064.db2.gz DEDNRAPKLSLOKH-UHFFFAOYSA-N 1 0 345.403 2.180 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162963364 1320998510 /nfs/dbraw/zinc/99/85/10/1320998510.db2.gz PZSCOQZSBBYPCB-NSHDSACASA-N 1 0 340.811 2.026 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163064176 1321026947 /nfs/dbraw/zinc/02/69/47/1321026947.db2.gz UBKZWZCMTXJBPN-LBPRGKRZSA-N 1 0 340.387 2.494 20 5 EEBDRO NC1=CC=C(C2CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)[NH2+]C1 ZINC001163134555 1321047892 /nfs/dbraw/zinc/04/78/92/1321047892.db2.gz ZZGLSGKMKDKDIO-UHFFFAOYSA-N 1 0 340.387 2.017 20 5 EEBDRO Cc1nc(Cl)nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC001163270422 1321083429 /nfs/dbraw/zinc/08/34/29/1321083429.db2.gz PRAMLIKGPLOIQE-LBPRGKRZSA-N 1 0 333.779 2.473 20 5 EEBDRO COc1c(F)cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163322228 1321097120 /nfs/dbraw/zinc/09/71/20/1321097120.db2.gz HDOKAVKZNFGJCS-BONVTDFDSA-N 1 0 325.340 2.066 20 5 EEBDRO CCOC(=O)c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163334197 1321100554 /nfs/dbraw/zinc/10/05/54/1321100554.db2.gz VMZLDPPTAYCGCV-DYVFJYSZSA-N 1 0 349.387 2.095 20 5 EEBDRO C[NH+]1C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2C1 ZINC001165152501 1321466726 /nfs/dbraw/zinc/46/67/26/1321466726.db2.gz XZXHQQIHHRWZAX-IUCAKERBSA-N 1 0 332.738 2.186 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001165200295 1321470026 /nfs/dbraw/zinc/47/00/26/1321470026.db2.gz DXXYABMRTOOELN-GFCCVEGCSA-N 1 0 336.392 2.085 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165288848 1321493720 /nfs/dbraw/zinc/49/37/20/1321493720.db2.gz UXCLOONKVDWEQW-PSASIEDQSA-N 1 0 347.202 2.111 20 5 EEBDRO CC(C)[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3c2CNC3=O)CC1 ZINC001166637892 1321756094 /nfs/dbraw/zinc/75/60/94/1321756094.db2.gz WDJAUSCQCJRQIX-UHFFFAOYSA-N 1 0 332.404 2.371 20 5 EEBDRO COc1ccc(C[C@H]2CC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001307526577 1331539550 /nfs/dbraw/zinc/53/95/50/1331539550.db2.gz VQRBOGGPCVHDGT-OAHLLOKOSA-N 1 0 330.388 2.425 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001308168844 1331569146 /nfs/dbraw/zinc/56/91/46/1331569146.db2.gz OUZRVANGNAEBAY-NVXWUHKLSA-N 1 0 333.388 2.424 20 5 EEBDRO CN1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309924850 1331647671 /nfs/dbraw/zinc/64/76/71/1331647671.db2.gz IMNHRINUQRZDNM-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318389277 1332522256 /nfs/dbraw/zinc/52/22/56/1332522256.db2.gz FBHSCBFBBICQMW-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001320294801 1332857553 /nfs/dbraw/zinc/85/75/53/1332857553.db2.gz FFTWAYTVSIODOD-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322149548 1333218582 /nfs/dbraw/zinc/21/85/82/1333218582.db2.gz YMNIDTUEZAAASH-OAHLLOKOSA-N 1 0 330.388 2.104 20 5 EEBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609370228 1351948770 /nfs/dbraw/zinc/94/87/70/1351948770.db2.gz YOEOIQGZCJXWIR-CYBMUJFWSA-N 1 0 348.432 2.492 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cnn1C ZINC001331707122 1335061487 /nfs/dbraw/zinc/06/14/87/1335061487.db2.gz KUYXJTMKDRKVJW-LBPRGKRZSA-N 1 0 344.419 2.351 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC001334609671 1336275260 /nfs/dbraw/zinc/27/52/60/1336275260.db2.gz IWDUWUYDBYGWOF-AWEZNQCLSA-N 1 0 346.431 2.409 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](C2CCC2)C2CCCCC2)c1 ZINC001336001756 1336463573 /nfs/dbraw/zinc/46/35/73/1336463573.db2.gz IUGSXPYEMMCCTF-SJORKVTESA-N 1 0 336.436 2.491 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC001339852989 1337084945 /nfs/dbraw/zinc/08/49/45/1337084945.db2.gz FZISAOYITLURGT-CYBMUJFWSA-N 1 0 334.376 2.448 20 5 EEBDRO C[C@@H](CCc1ccco1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575966810 1343930342 /nfs/dbraw/zinc/93/03/42/1343930342.db2.gz SHRFZFMRFBOKRR-YVEFUNNKSA-N 1 0 331.372 2.499 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC001575976236 1343933729 /nfs/dbraw/zinc/93/37/29/1343933729.db2.gz UYPBIUMTKYWFNW-CYBMUJFWSA-N 1 0 331.294 2.471 20 5 EEBDRO CC1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[NH2+]CC1 ZINC001576525961 1344026867 /nfs/dbraw/zinc/02/68/67/1344026867.db2.gz LKNCDUHVSPZNFQ-UHFFFAOYSA-N 1 0 332.404 2.289 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591183822 1349444653 /nfs/dbraw/zinc/44/46/53/1349444653.db2.gz ITMXKOPTYFPHFS-CQSZACIVSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[NH+](CC)CC[C@H](C)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604284666 1350908997 /nfs/dbraw/zinc/90/89/97/1350908997.db2.gz FMHPUSLDFKDFSL-NSHDSACASA-N 1 0 333.396 2.307 20 5 EEBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446429 1367994727 /nfs/dbraw/zinc/99/47/27/1367994727.db2.gz VYBRKXJXIRCCNL-CQSZACIVSA-N 1 0 336.392 2.132 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594797 1368045036 /nfs/dbraw/zinc/04/50/36/1368045036.db2.gz YCSFPSSGEDABPZ-WCFLWFBJSA-N 1 0 341.433 2.183 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC001103644151 1371044050 /nfs/dbraw/zinc/04/40/50/1371044050.db2.gz KLBSKXBFMUYKKL-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112352983 1371409015 /nfs/dbraw/zinc/40/90/15/1371409015.db2.gz LQUCGUKPUKYEAJ-UHFFFAOYSA-N 1 0 349.435 2.123 20 5 EEBDRO C[C@@H]1[NH2+]CCn2c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC001353395026 1373000567 /nfs/dbraw/zinc/00/05/67/1373000567.db2.gz WWMFEFVWWSDUHD-NSHDSACASA-N 1 0 326.356 2.217 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001578263405 1403729366 /nfs/dbraw/zinc/72/93/66/1403729366.db2.gz DJMZDTUTFITQHO-UHFFFAOYSA-N 1 0 336.392 2.129 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001590734126 1403891873 /nfs/dbraw/zinc/89/18/73/1403891873.db2.gz YWMTTYUCPOPSFR-LBPRGKRZSA-N 1 0 345.407 2.227 20 5 EEBDRO Cc1nn(CCC(=O)OCC[C@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000840220821 782430996 /nfs/dbraw/zinc/43/09/96/782430996.db2.gz IWBAJLIMZCLCOX-CQSZACIVSA-N 1 0 338.408 2.216 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2c(Cl)cncc2[N+](=O)[O-])COC1 ZINC001167374504 758180859 /nfs/dbraw/zinc/18/08/59/758180859.db2.gz IKXJQQRACYJJDX-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104424970 760690960 /nfs/dbraw/zinc/69/09/60/760690960.db2.gz IJZSXMUGDZFKFV-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC(C)(C)OC(=O)C1(Nc2cccnc2[N+](=O)[O-])CCC([NH3+])CC1 ZINC001167643285 760812358 /nfs/dbraw/zinc/81/23/58/760812358.db2.gz WMTHYZSALOYORJ-UHFFFAOYSA-N 1 0 336.392 2.384 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(C[NH3+])c3ccccc32)c1 ZINC001167700529 761876250 /nfs/dbraw/zinc/87/62/50/761876250.db2.gz JWBBRTXZMJFNAN-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO Cc1cc(C(=O)N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000980674653 775161070 /nfs/dbraw/zinc/16/10/70/775161070.db2.gz KDTYLAPUOKHYSI-UHFFFAOYSA-N 1 0 344.371 2.239 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236819062 776932048 /nfs/dbraw/zinc/93/20/48/776932048.db2.gz ZOONGJKGHFPRMO-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091459299 790892760 /nfs/dbraw/zinc/89/27/60/790892760.db2.gz SNXJHNWTKBGJSJ-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC001135317647 783601501 /nfs/dbraw/zinc/60/15/01/783601501.db2.gz UCEUQJGHQIYCLT-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817163121 784550016 /nfs/dbraw/zinc/55/00/16/784550016.db2.gz VUJIHFWIUFYHTH-ZDUSSCGKSA-N 1 0 340.811 2.484 20 5 EEBDRO CCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001135947774 784845854 /nfs/dbraw/zinc/84/58/54/784845854.db2.gz NLHCPXIKKGNGDJ-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818560220 785291750 /nfs/dbraw/zinc/29/17/50/785291750.db2.gz DSGFBAXKTLYJDF-ZWNOBZJWSA-N 1 0 336.348 2.153 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000818950449 785339434 /nfs/dbraw/zinc/33/94/34/785339434.db2.gz WZSYSOWLLDNITA-NXEZZACHSA-N 1 0 335.187 2.118 20 5 EEBDRO O=C1Nc2ccccc2[C@H]1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818978409 785347780 /nfs/dbraw/zinc/34/77/80/785347780.db2.gz JLNVGDSMTLFWHD-WBVHZDCISA-N 1 0 341.367 2.344 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818968259 785363867 /nfs/dbraw/zinc/36/38/67/785363867.db2.gz PCKGNXOXAWTGOT-OAHLLOKOSA-N 1 0 347.327 2.335 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)c1 ZINC000819042782 785371998 /nfs/dbraw/zinc/37/19/98/785371998.db2.gz NWAMZNIVRVVGGE-XDHUDOTRSA-N 1 0 348.424 2.167 20 5 EEBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819069421 785411714 /nfs/dbraw/zinc/41/17/14/785411714.db2.gz PEBJPOHEWBAAJI-LLVKDONJSA-N 1 0 335.282 2.090 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000819134424 785418900 /nfs/dbraw/zinc/41/89/00/785418900.db2.gz HAHDVLGBVUHDQY-SFHVURJKSA-N 1 0 347.390 2.489 20 5 EEBDRO C[C@@H](O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000819130508 785435683 /nfs/dbraw/zinc/43/56/83/785435683.db2.gz IXLOJDNBNXMHEF-CXAGYDPISA-N 1 0 346.383 2.178 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000819168573 785442719 /nfs/dbraw/zinc/44/27/19/785442719.db2.gz QZCXTKOTSHLRHI-ZDUSSCGKSA-N 1 0 344.293 2.177 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910278289 786609310 /nfs/dbraw/zinc/60/93/10/786609310.db2.gz CWCYIWCCWVXFRO-LBPRGKRZSA-N 1 0 335.404 2.468 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107280801 786701360 /nfs/dbraw/zinc/70/13/60/786701360.db2.gz VDMJWYBZMJWWPV-AATRIKPKSA-N 1 0 334.420 2.329 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001107379100 787067687 /nfs/dbraw/zinc/06/76/87/787067687.db2.gz AORFMHKSRVSVTH-SNAWJCMRSA-N 1 0 346.431 2.472 20 5 EEBDRO C[NH+](C)CCCC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107474834 787348314 /nfs/dbraw/zinc/34/83/14/787348314.db2.gz BRKDYHCYBSLFDQ-ONEGZZNKSA-N 1 0 338.383 2.160 20 5 EEBDRO CCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000911513370 787508788 /nfs/dbraw/zinc/50/87/88/787508788.db2.gz ZLGNAHILZXAOQZ-LLVKDONJSA-N 1 0 340.811 2.387 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000823088910 787560652 /nfs/dbraw/zinc/56/06/52/787560652.db2.gz OSMBTINFVNGVHC-STQMWFEESA-N 1 0 332.360 2.433 20 5 EEBDRO C[C@@H]1[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000844640173 789285991 /nfs/dbraw/zinc/28/59/91/789285991.db2.gz GYCMXWOIRHULER-HBNTYKKESA-N 1 0 336.348 2.056 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000844642523 789286483 /nfs/dbraw/zinc/28/64/83/789286483.db2.gz JIMKULUPNMMKCA-OPRDCNLKSA-N 1 0 327.331 2.426 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173467287 791853780 /nfs/dbraw/zinc/85/37/80/791853780.db2.gz DONRMEKGKVFLDW-MRXNPFEDSA-N 1 0 344.419 2.227 20 5 EEBDRO C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000173532730 791862695 /nfs/dbraw/zinc/86/26/95/791862695.db2.gz JJVMRKWLOOBELP-HNNXBMFYSA-N 1 0 329.404 2.345 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncccc1Cl ZINC001148497203 792490011 /nfs/dbraw/zinc/49/00/11/792490011.db2.gz GLQLMIZXVDVXNU-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO COc1ccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001148881194 792787133 /nfs/dbraw/zinc/78/71/33/792787133.db2.gz KOFKUSKLVHEISM-UHFFFAOYSA-N 1 0 349.412 2.113 20 5 EEBDRO CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001093888931 795766968 /nfs/dbraw/zinc/76/69/68/795766968.db2.gz IHBHJTICYZYOAU-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCCNc2ncccc2[N+](=O)[O-])CCCCC1 ZINC001094020146 795873148 /nfs/dbraw/zinc/87/31/48/795873148.db2.gz ORUKSLJHPQEWOK-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001094700164 796540825 /nfs/dbraw/zinc/54/08/25/796540825.db2.gz FXNJTKYEDXZIIW-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)N1CCCCC1 ZINC001172899547 797128146 /nfs/dbraw/zinc/12/81/46/797128146.db2.gz OCFAGXZBKWAUBI-INIZCTEOSA-N 1 0 331.416 2.444 20 5 EEBDRO CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903442 797130216 /nfs/dbraw/zinc/13/02/16/797130216.db2.gz FYNALHCLWOJHJY-RHSMWYFYSA-N 1 0 331.416 2.300 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CN(c3ccncn3)C1)CC2 ZINC001172903457 797131449 /nfs/dbraw/zinc/13/14/49/797131449.db2.gz GCZMDVDKPPXRTO-HNNXBMFYSA-N 1 0 339.399 2.111 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(CO)CCC2)c1F ZINC001173176543 797277104 /nfs/dbraw/zinc/27/71/04/797277104.db2.gz HWHSXSHEHUIIBK-LLVKDONJSA-N 1 0 326.368 2.426 20 5 EEBDRO COC(=O)[C@@H](C)N(C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188868 797281020 /nfs/dbraw/zinc/28/10/20/797281020.db2.gz HONXKRYEPUCVAT-VHSXEESVSA-N 1 0 328.340 2.167 20 5 EEBDRO Cc1cnc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173238131 797323854 /nfs/dbraw/zinc/32/38/54/797323854.db2.gz NRBWATBTFCSFLM-OAHLLOKOSA-N 1 0 341.415 2.446 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110186555 798109346 /nfs/dbraw/zinc/10/93/46/798109346.db2.gz QSDZBPFOISQCQE-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001003772414 800151823 /nfs/dbraw/zinc/15/18/23/800151823.db2.gz RDEACZCVLCHINB-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922589180 801428577 /nfs/dbraw/zinc/42/85/77/801428577.db2.gz IEXBMBVHEUWUAK-ZDUSSCGKSA-N 1 0 327.812 2.449 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000786813877 806910174 /nfs/dbraw/zinc/91/01/74/806910174.db2.gz NIXVOZQDYNPIPH-OUJLILQFSA-N 1 0 331.416 2.451 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001086093333 802153579 /nfs/dbraw/zinc/15/35/79/802153579.db2.gz LLPLYTFJMSNXPY-GSJFWJNXSA-N 1 0 334.401 2.283 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001086341425 802784258 /nfs/dbraw/zinc/78/42/58/802784258.db2.gz ORJMNMFYCBXZCV-SAZUREKKSA-N 1 0 342.399 2.232 20 5 EEBDRO [NH3+]Cc1nnnn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001168920029 803519531 /nfs/dbraw/zinc/51/95/31/803519531.db2.gz IRTFUERLLDESJK-UHFFFAOYSA-N 1 0 328.357 2.180 20 5 EEBDRO O=C(N1CCCCC1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168966610 803552819 /nfs/dbraw/zinc/55/28/19/803552819.db2.gz JTOBXOXYDPKDQE-HOCLYGCPSA-N 1 0 338.452 2.092 20 5 EEBDRO O=C(CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168992764 803560653 /nfs/dbraw/zinc/56/06/53/803560653.db2.gz KNMAGLRUUQMMQO-YJBOKZPZSA-N 1 0 345.443 2.369 20 5 EEBDRO COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168993551 803561653 /nfs/dbraw/zinc/56/16/53/803561653.db2.gz NCMZWTTUIVMPCY-XIRDDKMYSA-N 1 0 333.432 2.305 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013969 803571109 /nfs/dbraw/zinc/57/11/09/803571109.db2.gz WZQIQYRGXPDCHN-XDQVBPFNSA-N 1 0 325.409 2.125 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169013863 803571416 /nfs/dbraw/zinc/57/14/16/803571416.db2.gz WWXVJDVGUUMJOS-ZIAGYGMSSA-N 1 0 339.436 2.375 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC001168989325 803573041 /nfs/dbraw/zinc/57/30/41/803573041.db2.gz VZAPHDCEHVIPIU-OCCSQVGLSA-N 1 0 344.408 2.025 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034134 803578833 /nfs/dbraw/zinc/57/88/33/803578833.db2.gz FMAMLEJXFBMIHP-BBRMVZONSA-N 1 0 335.379 2.029 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCCC1 ZINC001169044787 803585819 /nfs/dbraw/zinc/58/58/19/803585819.db2.gz IYOXRSXUWMFMOB-GOEBONIOSA-N 1 0 338.452 2.092 20 5 EEBDRO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056325 803597586 /nfs/dbraw/zinc/59/75/86/803597586.db2.gz RSYLGWKWUZRIDF-MELADBBJSA-N 1 0 347.390 2.301 20 5 EEBDRO O=C1CCC2(CCC(CNc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)CC2)N1 ZINC001169296239 803690036 /nfs/dbraw/zinc/69/00/36/803690036.db2.gz STVFNQNFLHNYOT-UHFFFAOYSA-N 1 0 344.415 2.449 20 5 EEBDRO [NH3+]CCc1cn(-c2ncnc3sc([N+](=O)[O-])cc32)c2cccnc12 ZINC001169708966 803980968 /nfs/dbraw/zinc/98/09/68/803980968.db2.gz OKOOJGCYWIFPPC-UHFFFAOYSA-N 1 0 340.368 2.440 20 5 EEBDRO COCCC(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001169838213 804106369 /nfs/dbraw/zinc/10/63/69/804106369.db2.gz MUTKPKIDOBYJLC-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC(F)F)CC2)cc1 ZINC000788260279 807452553 /nfs/dbraw/zinc/45/25/53/807452553.db2.gz YEKARFHHWDEEMG-UHFFFAOYSA-N 1 0 329.347 2.435 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000788959210 807773609 /nfs/dbraw/zinc/77/36/09/807773609.db2.gz SFAWKDMFRHTBMM-GFCCVEGCSA-N 1 0 348.355 2.460 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000790902715 808989312 /nfs/dbraw/zinc/98/93/12/808989312.db2.gz OLDRIHYPUVMTOC-JTQLQIEISA-N 1 0 343.786 2.482 20 5 EEBDRO COc1ccc(C[C@@H](C)N2CC[C@@](C)(O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170334599 809899190 /nfs/dbraw/zinc/89/91/90/809899190.db2.gz HEHVYVIYTUVISY-XFBWCDHKSA-N 1 0 326.368 2.329 20 5 EEBDRO CC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170355850 809903404 /nfs/dbraw/zinc/90/34/04/809903404.db2.gz REBFVCGGMJMWRE-NUEKZKHPSA-N 1 0 333.432 2.418 20 5 EEBDRO C[NH+](C)CCC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCCC1 ZINC001114179760 810532896 /nfs/dbraw/zinc/53/28/96/810532896.db2.gz VWRSLTKXHUOSRF-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CCc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001129582544 810914612 /nfs/dbraw/zinc/91/46/12/810914612.db2.gz CZNMHUFGAXJPNQ-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001521229977 1119225562 /nfs/dbraw/zinc/22/55/62/1119225562.db2.gz REGKAJXJXWRJMF-GUTXKFCHSA-N 1 0 347.415 2.340 20 5 EEBDRO CCCC[N@H+](CCOC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000068852440 215340638 /nfs/dbraw/zinc/34/06/38/215340638.db2.gz XHZLJOFVXHZRQT-UHFFFAOYSA-N 1 0 335.404 2.232 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183438311 235077366 /nfs/dbraw/zinc/07/73/66/235077366.db2.gz RYMCUKGYFOCIPU-NSHDSACASA-N 1 0 331.376 2.316 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC000349061240 283603305 /nfs/dbraw/zinc/60/33/05/283603305.db2.gz WNNVTODMSMRBGS-LLVKDONJSA-N 1 0 330.319 2.197 20 5 EEBDRO COCCC[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000130926202 223187878 /nfs/dbraw/zinc/18/78/78/223187878.db2.gz JOTMBDYVYBENME-UHFFFAOYSA-N 1 0 347.213 2.133 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072834324 216313605 /nfs/dbraw/zinc/31/36/05/216313605.db2.gz XHFAFVAEPSAVSI-XJKSGUPXSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422848259 240258594 /nfs/dbraw/zinc/25/85/94/240258594.db2.gz JLJROOLFJUUNJK-SNVBAGLBSA-N 1 0 331.825 2.440 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000422887325 240274316 /nfs/dbraw/zinc/27/43/16/240274316.db2.gz KMLAEVHHCVLSJK-UHFFFAOYSA-N 1 0 335.404 2.374 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000422902566 240283441 /nfs/dbraw/zinc/28/34/41/240283441.db2.gz MXZDCOMFNOAIGI-CYBMUJFWSA-N 1 0 337.376 2.019 20 5 EEBDRO C[C@H](C[C@H]1COCCN1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038099 240340019 /nfs/dbraw/zinc/34/00/19/240340019.db2.gz CNMGYTNWWOOTQF-RISCZKNCSA-N 1 0 327.812 2.147 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426199028 241232787 /nfs/dbraw/zinc/23/27/87/241232787.db2.gz PASANLDDCNDYRK-HZPDHXFCSA-N 1 0 335.404 2.467 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761231 242110051 /nfs/dbraw/zinc/11/00/51/242110051.db2.gz BSXSGNXFXFXPAB-NNQSOWQGSA-N 1 0 343.387 2.360 20 5 EEBDRO CCN(CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000236850198 242382039 /nfs/dbraw/zinc/38/20/39/242382039.db2.gz HUZPBWJUTXQSTC-UHFFFAOYSA-N 1 0 349.840 2.009 20 5 EEBDRO C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000451105690 243003199 /nfs/dbraw/zinc/00/31/99/243003199.db2.gz UQITXOWHMYTRJM-NSHDSACASA-N 1 0 347.396 2.306 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246223374 243215968 /nfs/dbraw/zinc/21/59/68/243215968.db2.gz ZNXPUFAKZUAEHT-KBPBESRZSA-N 1 0 334.420 2.195 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000453030446 243376870 /nfs/dbraw/zinc/37/68/70/243376870.db2.gz HDSZHIVUEBHONC-KBAYOESNSA-N 1 0 332.400 2.455 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262778973 245173977 /nfs/dbraw/zinc/17/39/77/245173977.db2.gz XINCVLWFSGHONH-TZMCWYRMSA-N 1 0 343.387 2.122 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262777524 245174495 /nfs/dbraw/zinc/17/44/95/245174495.db2.gz LWZUMDHCVVZTDR-ZYHUDNBSSA-N 1 0 341.795 2.131 20 5 EEBDRO CCOC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712263 245218966 /nfs/dbraw/zinc/21/89/66/245218966.db2.gz WEVNPJBQIQCEJD-HOTGVXAUSA-N 1 0 338.404 2.226 20 5 EEBDRO O=C1NC2(CO1)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000495256427 247101883 /nfs/dbraw/zinc/10/18/83/247101883.db2.gz YXVHMIUVCCSUTO-UHFFFAOYSA-N 1 0 325.752 2.323 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000133613592 533013966 /nfs/dbraw/zinc/01/39/66/533013966.db2.gz HSRNBZZUBZURCO-LBPRGKRZSA-N 1 0 341.795 2.228 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363248890 285089773 /nfs/dbraw/zinc/08/97/73/285089773.db2.gz OPACLDNMRCIVTM-UKRRQHHQSA-N 1 0 325.796 2.284 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC2)OCc2ccccc23)n1 ZINC000372744069 285167973 /nfs/dbraw/zinc/16/79/73/285167973.db2.gz TVAJGPSWPXUDKX-UHFFFAOYSA-N 1 0 328.372 2.313 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114147970 220643165 /nfs/dbraw/zinc/64/31/65/220643165.db2.gz HXIDZJDAXOQQRX-QWHCGFSZSA-N 1 0 337.445 2.486 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267922925 256097193 /nfs/dbraw/zinc/09/71/93/256097193.db2.gz KQMGDBCBQKCTEA-UHFFFAOYSA-N 1 0 348.172 2.130 20 5 EEBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419609 256133689 /nfs/dbraw/zinc/13/36/89/256133689.db2.gz GIWUSFGTNLLWMC-YVEFUNNKSA-N 1 0 349.387 2.245 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000270546668 256147141 /nfs/dbraw/zinc/14/71/41/256147141.db2.gz AAKNTZBIFFQFLX-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000270999903 256197183 /nfs/dbraw/zinc/19/71/83/256197183.db2.gz YTNATIYQGWSCQK-DOMZBBRYSA-N 1 0 331.372 2.495 20 5 EEBDRO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000272983416 256254330 /nfs/dbraw/zinc/25/43/30/256254330.db2.gz UYPRHRNUZYHDMB-AWEZNQCLSA-N 1 0 349.387 2.185 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000352868762 285371556 /nfs/dbraw/zinc/37/15/56/285371556.db2.gz DLZCKCSKFZQPAU-CHWSQXEVSA-N 1 0 341.433 2.088 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000129516108 533397902 /nfs/dbraw/zinc/39/79/02/533397902.db2.gz SIZRBFXYPGPSJW-CYBMUJFWSA-N 1 0 349.412 2.224 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000111050241 142351582 /nfs/dbraw/zinc/35/15/82/142351582.db2.gz VYDACUHAYHJDRJ-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C1OCC[C@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120770143 142396676 /nfs/dbraw/zinc/39/66/76/142396676.db2.gz PQMYFAMIEWYDDR-CYBMUJFWSA-N 1 0 334.372 2.391 20 5 EEBDRO CO[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359231832 286054347 /nfs/dbraw/zinc/05/43/47/286054347.db2.gz QOTOKKWHXQJOBI-KBPBESRZSA-N 1 0 349.431 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[NH+]1CCCC1 ZINC000089898922 292213932 /nfs/dbraw/zinc/21/39/32/292213932.db2.gz HUBKLDOTJGIGSE-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000117783020 152083345 /nfs/dbraw/zinc/08/33/45/152083345.db2.gz YXJVJIZCRKBEII-AWEZNQCLSA-N 1 0 337.807 2.487 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000352179603 152993437 /nfs/dbraw/zinc/99/34/37/152993437.db2.gz ZMWKPCFPZRDFRN-QGZVFWFLSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128902804 292348916 /nfs/dbraw/zinc/34/89/16/292348916.db2.gz GNEFALMQYFCCQV-YUSALJHKSA-N 1 0 341.795 2.402 20 5 EEBDRO CCOc1cc(N(C)CCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092652810 159223880 /nfs/dbraw/zinc/22/38/80/159223880.db2.gz JGBZAQPEEASDTL-UHFFFAOYSA-N 1 0 336.436 2.067 20 5 EEBDRO O=[N+]([O-])c1c(NCC2CC[NH+](CCO)CC2)ccc2ncccc21 ZINC000108947429 159344904 /nfs/dbraw/zinc/34/49/04/159344904.db2.gz YHVLVKVFPPQOSI-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]CCC(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287459 160220532 /nfs/dbraw/zinc/22/05/32/160220532.db2.gz FFBYFQJHDKYXCB-UHFFFAOYSA-N 1 0 347.371 2.431 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341724041 161009127 /nfs/dbraw/zinc/00/91/27/161009127.db2.gz VBDFWMISGXNAAM-BETUJISGSA-N 1 0 334.420 2.474 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154085 161043951 /nfs/dbraw/zinc/04/39/51/161043951.db2.gz UMOPNJAZJHWQPB-SJCJKPOMSA-N 1 0 344.415 2.145 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000343571024 161147612 /nfs/dbraw/zinc/14/76/12/161147612.db2.gz NCVQPDCZXWFELF-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO Cn1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000344347905 161219012 /nfs/dbraw/zinc/21/90/12/161219012.db2.gz PVMKCDXLWJGGIE-CYBMUJFWSA-N 1 0 332.360 2.093 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000352506816 162163035 /nfs/dbraw/zinc/16/30/35/162163035.db2.gz AAYOXEVMZDUQHN-WCQYABFASA-N 1 0 325.434 2.422 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5[nH]4)[C@H]1[C@H]3C2 ZINC000352675835 162240141 /nfs/dbraw/zinc/24/01/41/162240141.db2.gz FYCDWXLJGNRCLS-YOCWQBDXSA-N 1 0 328.372 2.326 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000352868765 162320820 /nfs/dbraw/zinc/32/08/20/162320820.db2.gz DLZCKCSKFZQPAU-STQMWFEESA-N 1 0 341.433 2.088 20 5 EEBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000355607237 163248064 /nfs/dbraw/zinc/24/80/64/163248064.db2.gz NIBCLWPCENZENL-GFCCVEGCSA-N 1 0 340.401 2.084 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000359928090 164198452 /nfs/dbraw/zinc/19/84/52/164198452.db2.gz YIHNSEWJWDMTIR-NWDGAFQWSA-N 1 0 335.404 2.467 20 5 EEBDRO CSc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111455 164429130 /nfs/dbraw/zinc/42/91/30/164429130.db2.gz RSWHNPGXTPOXET-STQMWFEESA-N 1 0 335.429 2.435 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000368964673 166160080 /nfs/dbraw/zinc/16/00/80/166160080.db2.gz PTTXVNILYBRVTC-ZWKOTPCHSA-N 1 0 349.431 2.207 20 5 EEBDRO C[C@@H]1OCC[C@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000369407346 166253697 /nfs/dbraw/zinc/25/36/97/166253697.db2.gz GQKONDNUNAEAQO-KEYYUXOJSA-N 1 0 336.388 2.242 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246065721 292599287 /nfs/dbraw/zinc/59/92/87/292599287.db2.gz RXPWVNLQSXJNFR-NOLJZWGESA-N 1 0 335.404 2.190 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000122357259 222070142 /nfs/dbraw/zinc/07/01/42/222070142.db2.gz WAQWMTUQESXHAI-UHFFFAOYSA-N 1 0 328.372 2.309 20 5 EEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122905198 222179666 /nfs/dbraw/zinc/17/96/66/222179666.db2.gz WPJCNSXPUVJUAD-UHFFFAOYSA-N 1 0 333.344 2.058 20 5 EEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000122904975 222179762 /nfs/dbraw/zinc/17/97/62/222179762.db2.gz LROXBQJYTIOAOO-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277093677 269142284 /nfs/dbraw/zinc/14/22/84/269142284.db2.gz VLDLQRYXTSPTKK-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000278639426 269238190 /nfs/dbraw/zinc/23/81/90/269238190.db2.gz YRZKFCLLKFBQES-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000279053976 269259007 /nfs/dbraw/zinc/25/90/07/269259007.db2.gz AIQQTNBWDVEGOL-AOOOYVTPSA-N 1 0 339.779 2.033 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000280003496 269320899 /nfs/dbraw/zinc/32/08/99/269320899.db2.gz GEUVUTVPRYQWEV-SECBINFHSA-N 1 0 340.181 2.300 20 5 EEBDRO O=C(NCCN1CC=CCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000280208850 269338300 /nfs/dbraw/zinc/33/83/00/269338300.db2.gz KJKCTNXVOGZVNV-UHFFFAOYSA-N 1 0 325.315 2.065 20 5 EEBDRO COc1ccc(OCC[N@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000280551547 269372021 /nfs/dbraw/zinc/37/20/21/269372021.db2.gz QMTFTRNJGQLNDG-ZDUSSCGKSA-N 1 0 338.404 2.465 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000280615950 269379579 /nfs/dbraw/zinc/37/95/79/269379579.db2.gz WGTFWHVXSXGYNS-SFHVURJKSA-N 1 0 347.415 2.375 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000285903159 274812283 /nfs/dbraw/zinc/81/22/83/274812283.db2.gz RZBRCRPKZKRUAX-LSDHHAIUSA-N 1 0 347.415 2.449 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364388763 275034485 /nfs/dbraw/zinc/03/44/85/275034485.db2.gz SYGLQFHXCOLZBB-RDJZCZTQSA-N 1 0 342.399 2.178 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288518498 275066198 /nfs/dbraw/zinc/06/61/98/275066198.db2.gz TVDSSNGQBAMSTJ-NEPJUHHUSA-N 1 0 335.408 2.140 20 5 EEBDRO Cn1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289612023 275132425 /nfs/dbraw/zinc/13/24/25/275132425.db2.gz LGMMYFRZWXHDMQ-HZPDHXFCSA-N 1 0 330.388 2.341 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290036372 275173373 /nfs/dbraw/zinc/17/33/73/275173373.db2.gz SEWHSVYLEXEIAA-IAGOWNOFSA-N 1 0 347.415 2.353 20 5 EEBDRO Cc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000290726869 275233645 /nfs/dbraw/zinc/23/36/45/275233645.db2.gz ZRXSGMGUDPQECG-AWEZNQCLSA-N 1 0 343.387 2.112 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)OC ZINC000291167531 275277551 /nfs/dbraw/zinc/27/75/51/275277551.db2.gz GOUDITOSCIBPSL-LBPRGKRZSA-N 1 0 339.392 2.289 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291998822 275362369 /nfs/dbraw/zinc/36/23/69/275362369.db2.gz XFKJSOHCRNLHEH-AWEZNQCLSA-N 1 0 343.387 2.375 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359214027 276277225 /nfs/dbraw/zinc/27/72/25/276277225.db2.gz LTXSAZWWBPRFMH-GFCCVEGCSA-N 1 0 344.371 2.063 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCO1 ZINC000423576987 276527802 /nfs/dbraw/zinc/52/78/02/276527802.db2.gz RQZMKKUZSSQARS-QWHCGFSZSA-N 1 0 325.434 2.044 20 5 EEBDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000371353314 277194151 /nfs/dbraw/zinc/19/41/51/277194151.db2.gz IICUPTKHAKGWFC-IAGOWNOFSA-N 1 0 325.368 2.422 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343477498 279125088 /nfs/dbraw/zinc/12/50/88/279125088.db2.gz CRHLFZIMMVWNQW-UKRRQHHQSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCCCC1 ZINC000180813745 279345230 /nfs/dbraw/zinc/34/52/30/279345230.db2.gz XBCXIZDXJFUOQG-GFCCVEGCSA-N 1 0 349.387 2.175 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000283515592 292954123 /nfs/dbraw/zinc/95/41/23/292954123.db2.gz QFDCDVLHJUAAAI-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)c(F)c1 ZINC000293004456 293099964 /nfs/dbraw/zinc/09/99/64/293099964.db2.gz PDPNEOCNQDUOBJ-GFCCVEGCSA-N 1 0 344.350 2.467 20 5 EEBDRO CCc1ccc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293178467 293144695 /nfs/dbraw/zinc/14/46/95/293144695.db2.gz DKYHHRNUFAXCLN-SJLPKXTDSA-N 1 0 344.415 2.204 20 5 EEBDRO C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293234082 293158281 /nfs/dbraw/zinc/15/82/81/293158281.db2.gz HIRKKMSLKNNDDP-MSOLQXFVSA-N 1 0 330.384 2.164 20 5 EEBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000293643567 293259678 /nfs/dbraw/zinc/25/96/78/293259678.db2.gz HQIARCYQXKOPRW-AWEZNQCLSA-N 1 0 347.415 2.306 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000293962927 293338715 /nfs/dbraw/zinc/33/87/15/293338715.db2.gz AGSAILDOXNHKFN-ZIAGYGMSSA-N 1 0 334.420 2.196 20 5 EEBDRO Cn1c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000262072463 294149036 /nfs/dbraw/zinc/14/90/36/294149036.db2.gz SNUGLYBTBSGVHZ-AWEZNQCLSA-N 1 0 348.790 2.373 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000297454159 294248874 /nfs/dbraw/zinc/24/88/74/294248874.db2.gz WNXSUGQVNPSDMB-ZDUSSCGKSA-N 1 0 332.404 2.006 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000301512892 294864006 /nfs/dbraw/zinc/86/40/06/294864006.db2.gz DNWIHWKMVPDVJR-SNVBAGLBSA-N 1 0 341.209 2.427 20 5 EEBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc2c1OCO2 ZINC000348932149 294981479 /nfs/dbraw/zinc/98/14/79/294981479.db2.gz FEGDGGBEPKCUMW-UHFFFAOYSA-N 1 0 345.355 2.297 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1SC ZINC000157672218 295026754 /nfs/dbraw/zinc/02/67/54/295026754.db2.gz XSRDGZNAKWVCJQ-ONGXEEELSA-N 1 0 339.417 2.183 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237892189 295248380 /nfs/dbraw/zinc/24/83/80/295248380.db2.gz RZKQATRIEDINFK-GJZGRUSLSA-N 1 0 346.431 2.442 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000332514801 312018330 /nfs/dbraw/zinc/01/83/30/312018330.db2.gz JMOJYLIIZOWRLB-TZMCWYRMSA-N 1 0 333.388 2.160 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415661349 313163872 /nfs/dbraw/zinc/16/38/72/313163872.db2.gz QMOBAABDLGRIED-VXGBXAGGSA-N 1 0 334.376 2.067 20 5 EEBDRO Cc1ccc([C@@H](C)NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000420413149 313953432 /nfs/dbraw/zinc/95/34/32/313953432.db2.gz SQUDNBOJYHGSBR-LJHODMEESA-N 1 0 343.427 2.485 20 5 EEBDRO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000430920245 314591012 /nfs/dbraw/zinc/59/10/12/314591012.db2.gz OBNTVBAORZPPEJ-HNNXBMFYSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CCCSC1 ZINC000439006778 315063092 /nfs/dbraw/zinc/06/30/92/315063092.db2.gz HGZQWYFLOOERKS-AWEZNQCLSA-N 1 0 326.418 2.293 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440071380 315110911 /nfs/dbraw/zinc/11/09/11/315110911.db2.gz BJTPSISLSLRLMT-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440417425 315130174 /nfs/dbraw/zinc/13/01/74/315130174.db2.gz PVNYGPMSTGLQRG-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO Cc1[nH+]c2c(n1C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000519064764 316760424 /nfs/dbraw/zinc/76/04/24/316760424.db2.gz QBJVIBVFOHCDQR-AWEZNQCLSA-N 1 0 331.372 2.418 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000530547163 317730557 /nfs/dbraw/zinc/73/05/57/317730557.db2.gz YKBLAMQNFSMUEE-UHFFFAOYSA-N 1 0 348.355 2.380 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)c1ccccc1C ZINC000541056488 318091996 /nfs/dbraw/zinc/09/19/96/318091996.db2.gz YTOQJNWPOPPLBK-QGZVFWFLSA-N 1 0 343.383 2.473 20 5 EEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000562122520 318859165 /nfs/dbraw/zinc/85/91/65/318859165.db2.gz WICUSVOJKHYBGI-UHFFFAOYSA-N 1 0 340.399 2.323 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@@H]1CCCCO1 ZINC000575742604 320109795 /nfs/dbraw/zinc/10/97/95/320109795.db2.gz NWXYVVKHORHEMB-CABCVRRESA-N 1 0 338.404 2.273 20 5 EEBDRO Cc1c(Br)c(=O)n(CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000577607476 320265480 /nfs/dbraw/zinc/26/54/80/320265480.db2.gz RQUBDSKPOKWQSI-UHFFFAOYSA-N 1 0 344.209 2.217 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000578027953 320290109 /nfs/dbraw/zinc/29/01/09/320290109.db2.gz VAZMTDZSDFKSOI-YDHLFZDLSA-N 1 0 346.431 2.169 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1[N+](=O)[O-] ZINC000181810862 323357122 /nfs/dbraw/zinc/35/71/22/323357122.db2.gz BTWKIATXZOWSFB-NSHDSACASA-N 1 0 327.344 2.090 20 5 EEBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185907658 323440169 /nfs/dbraw/zinc/44/01/69/323440169.db2.gz UNEBTBJQCVOKHH-HNNXBMFYSA-N 1 0 333.775 2.434 20 5 EEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583079786 324588177 /nfs/dbraw/zinc/58/81/77/324588177.db2.gz LNMBJBLTNBMSTD-CZUORRHYSA-N 1 0 346.383 2.261 20 5 EEBDRO Cc1cc(N2CCC(OCCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326346159 465037009 /nfs/dbraw/zinc/03/70/09/465037009.db2.gz MUXUDXHAVCRIDP-UHFFFAOYSA-N 1 0 331.372 2.429 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cnn(Cc2ccccc2)c1 ZINC000358316948 465055330 /nfs/dbraw/zinc/05/53/30/465055330.db2.gz JHHPTGHHYWMCQU-CQSZACIVSA-N 1 0 340.387 2.387 20 5 EEBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354618815 465058536 /nfs/dbraw/zinc/05/85/36/465058536.db2.gz ULGIBZMYPLYNGR-UHFFFAOYSA-N 1 0 337.424 2.292 20 5 EEBDRO CC[C@H](c1ccccc1OC)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347552907 465089558 /nfs/dbraw/zinc/08/95/58/465089558.db2.gz DESAHUGJFAXUCJ-GOEBONIOSA-N 1 0 348.403 2.244 20 5 EEBDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347565856 465094908 /nfs/dbraw/zinc/09/49/08/465094908.db2.gz WRORJDRHXJRRAI-LBPRGKRZSA-N 1 0 344.371 2.312 20 5 EEBDRO Cc1nc(NCc2ccccc2CN2CCOCC2)ncc1[N+](=O)[O-] ZINC000296510143 465218572 /nfs/dbraw/zinc/21/85/72/465218572.db2.gz LZBSNSTUXHYKDQ-UHFFFAOYSA-N 1 0 343.387 2.138 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000590566422 468273945 /nfs/dbraw/zinc/27/39/45/468273945.db2.gz HXYHDKGAMRHHNI-KGLIPLIRSA-N 1 0 335.404 2.223 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000342929379 465395285 /nfs/dbraw/zinc/39/52/85/465395285.db2.gz RMPATPBUQAIFRG-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000112925292 462554509 /nfs/dbraw/zinc/55/45/09/462554509.db2.gz JNLJLHBIQYTWJZ-UHFFFAOYSA-N 1 0 345.403 2.275 20 5 EEBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(CO)CO ZINC000128056374 462606648 /nfs/dbraw/zinc/60/66/48/462606648.db2.gz BIMPAEXHABBVNH-UHFFFAOYSA-N 1 0 334.372 2.278 20 5 EEBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)ncc1[N+](=O)[O-] ZINC000074764220 462631811 /nfs/dbraw/zinc/63/18/11/462631811.db2.gz XBADGTHUVQECGN-UHFFFAOYSA-N 1 0 334.405 2.045 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114218336 462633020 /nfs/dbraw/zinc/63/30/20/462633020.db2.gz ITMAMOXHBOIBBL-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000153274772 462633271 /nfs/dbraw/zinc/63/32/71/462633271.db2.gz DHAGRMVQBYIFMC-HNNXBMFYSA-N 1 0 335.379 2.363 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775146 462633384 /nfs/dbraw/zinc/63/33/84/462633384.db2.gz AAZNCIIZUFVBPV-AWEZNQCLSA-N 1 0 342.403 2.068 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(N2CCC([NH2+]CCO)CC2)c(Cl)c1 ZINC000128574695 462654156 /nfs/dbraw/zinc/65/41/56/462654156.db2.gz MJILNRHCNOTSSM-UHFFFAOYSA-N 1 0 334.203 2.452 20 5 EEBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153706974 462681063 /nfs/dbraw/zinc/68/10/63/462681063.db2.gz ZGJUQSBFIVEFPL-QWRGUYRKSA-N 1 0 341.795 2.226 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635380 462699864 /nfs/dbraw/zinc/69/98/64/462699864.db2.gz CQGLBOXOULLKEK-WFASDCNBSA-N 1 0 340.445 2.329 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000116277935 462752226 /nfs/dbraw/zinc/75/22/26/462752226.db2.gz DVBKSCMJPIZBFK-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130548087 462764054 /nfs/dbraw/zinc/76/40/54/462764054.db2.gz GSDVTDFJCWNXMX-AWEZNQCLSA-N 1 0 343.387 2.371 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054933 462770318 /nfs/dbraw/zinc/77/03/18/462770318.db2.gz VZKFNCAKAKZKIZ-LRDDRELGSA-N 1 0 338.404 2.432 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000154565271 462783744 /nfs/dbraw/zinc/78/37/44/462783744.db2.gz IGIICKBGOWBADE-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000117796507 462812696 /nfs/dbraw/zinc/81/26/96/462812696.db2.gz GVSWOBHCQZVSAT-ZDUSSCGKSA-N 1 0 337.807 2.391 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000091458932 462881695 /nfs/dbraw/zinc/88/16/95/462881695.db2.gz LTDMKSIKCSVVSV-JHJVBQTASA-N 1 0 332.408 2.416 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](CC4CC4)CC3)o2)cc1 ZINC000076771263 462908425 /nfs/dbraw/zinc/90/84/25/462908425.db2.gz LOBSHMNIKXUYDX-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000590756120 468329114 /nfs/dbraw/zinc/32/91/14/468329114.db2.gz GSHZJHYHRPONIG-LYRGGWFBSA-N 1 0 333.388 2.245 20 5 EEBDRO COc1cc(N2CC[NH+](C3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000119798593 462929282 /nfs/dbraw/zinc/92/92/82/462929282.db2.gz OWGSWCXQSFZUDV-UHFFFAOYSA-N 1 0 339.367 2.044 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155937268 462961476 /nfs/dbraw/zinc/96/14/76/462961476.db2.gz YMGYWBKQWAFRBV-CYBMUJFWSA-N 1 0 344.209 2.461 20 5 EEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017334039 462999227 /nfs/dbraw/zinc/99/92/27/462999227.db2.gz KLWXTUFUFPICAD-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO CCOCC[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000157526896 463140594 /nfs/dbraw/zinc/14/05/94/463140594.db2.gz WCDMGGWWHSLCRX-UHFFFAOYSA-N 1 0 339.392 2.290 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000026256900 463156443 /nfs/dbraw/zinc/15/64/43/463156443.db2.gz WBYVLJJEIQXZGU-UHFFFAOYSA-N 1 0 331.376 2.097 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000160158863 463321142 /nfs/dbraw/zinc/32/11/42/463321142.db2.gz CORSIFQBEJJHGQ-CQSZACIVSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000161970887 463473265 /nfs/dbraw/zinc/47/32/65/463473265.db2.gz XMCLMNIICNQFMH-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000073617034 463631346 /nfs/dbraw/zinc/63/13/46/463631346.db2.gz OOJGMOUYZVRPIL-UHFFFAOYSA-N 1 0 335.404 2.088 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCC1 ZINC000152061089 463638243 /nfs/dbraw/zinc/63/82/43/463638243.db2.gz KEWOGENINDDEMO-UHFFFAOYSA-N 1 0 341.795 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000060156224 463650405 /nfs/dbraw/zinc/65/04/05/463650405.db2.gz LKCAOYZQNGTPDX-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH+](C)C)C1 ZINC000109809625 463650999 /nfs/dbraw/zinc/65/09/99/463650999.db2.gz QWIXMRXLCYXRRU-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C ZINC000112080307 463689675 /nfs/dbraw/zinc/68/96/75/463689675.db2.gz VXSKOHCKWFVCQT-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000127348608 463697397 /nfs/dbraw/zinc/69/73/97/463697397.db2.gz GCDYKCDHUNIFHK-MAUKXSAKSA-N 1 0 346.475 2.141 20 5 EEBDRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184924833 463719734 /nfs/dbraw/zinc/71/97/34/463719734.db2.gz QJWLFMXNGFVJGQ-RYUDHWBXSA-N 1 0 335.379 2.438 20 5 EEBDRO Nc1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000286872571 463729673 /nfs/dbraw/zinc/72/96/73/463729673.db2.gz NOXAKXUKYXQVMB-INIZCTEOSA-N 1 0 342.399 2.356 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000286880227 463732222 /nfs/dbraw/zinc/73/22/22/463732222.db2.gz FEURYKGEFABOBE-ZETCQYMHSA-N 1 0 348.172 2.176 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177577283 463741362 /nfs/dbraw/zinc/74/13/62/463741362.db2.gz VBUSVZPJBMAZOT-CHWSQXEVSA-N 1 0 334.420 2.263 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029317 463778110 /nfs/dbraw/zinc/77/81/10/463778110.db2.gz LRHYIIUDPATNDE-LRDDRELGSA-N 1 0 338.429 2.387 20 5 EEBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000261685480 463827197 /nfs/dbraw/zinc/82/71/97/463827197.db2.gz CBXRMPDBXFXCEY-MRXNPFEDSA-N 1 0 328.372 2.272 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194364021 463846373 /nfs/dbraw/zinc/84/63/73/463846373.db2.gz HBCGYVDRVQYIQC-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)n1 ZINC000261886158 463888518 /nfs/dbraw/zinc/88/85/18/463888518.db2.gz VBYJLQDOSMKLMY-AWEZNQCLSA-N 1 0 335.795 2.091 20 5 EEBDRO Cn1c(Sc2c(F)cccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000287425835 463895794 /nfs/dbraw/zinc/89/57/94/463895794.db2.gz UIBFMJMKWWGLTC-VIFPVBQESA-N 1 0 337.380 2.481 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178485584 463908740 /nfs/dbraw/zinc/90/87/40/463908740.db2.gz LGZMUQSDTPHDSY-OAHLLOKOSA-N 1 0 349.431 2.148 20 5 EEBDRO O=C([C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287508320 463909466 /nfs/dbraw/zinc/90/94/66/463909466.db2.gz UJDMQHVDCCHSKI-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262005463 463923382 /nfs/dbraw/zinc/92/33/82/463923382.db2.gz RGJVOBGURZWLBN-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279125860 464040613 /nfs/dbraw/zinc/04/06/13/464040613.db2.gz BBBCTVJHGRPSDV-NSHDSACASA-N 1 0 338.383 2.166 20 5 EEBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643068 464044409 /nfs/dbraw/zinc/04/44/09/464044409.db2.gz JTPHYUHAOMIKIN-YOEHRIQHSA-N 1 0 349.431 2.257 20 5 EEBDRO COc1ccc(NC(=O)CN2CCSCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000279233833 464072835 /nfs/dbraw/zinc/07/28/35/464072835.db2.gz JKQSOKVGSHNIJZ-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172468877 464088741 /nfs/dbraw/zinc/08/87/41/464088741.db2.gz CKXGHDXMRAXIBG-ZDUSSCGKSA-N 1 0 349.412 2.224 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804392 464146625 /nfs/dbraw/zinc/14/66/25/464146625.db2.gz ACASPIGHRVNSFW-XJKSGUPXSA-N 1 0 332.404 2.092 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000284366215 464164897 /nfs/dbraw/zinc/16/48/97/464164897.db2.gz OCDWQDNDJYEFRM-UHFFFAOYSA-N 1 0 344.209 2.299 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000226452697 464184957 /nfs/dbraw/zinc/18/49/57/464184957.db2.gz UXYSHIGKFPFTSO-LLVKDONJSA-N 1 0 342.193 2.229 20 5 EEBDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173317916 464239664 /nfs/dbraw/zinc/23/96/64/464239664.db2.gz JECKMKNIPDRYNZ-CQSZACIVSA-N 1 0 348.447 2.236 20 5 EEBDRO CCC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180463464 464316072 /nfs/dbraw/zinc/31/60/72/464316072.db2.gz HQRRSAAOZPXCAJ-HNNXBMFYSA-N 1 0 343.449 2.353 20 5 EEBDRO C[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237437232 464319683 /nfs/dbraw/zinc/31/96/83/464319683.db2.gz NQNUDLGSWGZXGU-ZDUSSCGKSA-N 1 0 334.420 2.149 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284810240 464349776 /nfs/dbraw/zinc/34/97/76/464349776.db2.gz KRMRGJSNLQPFSR-SJLPKXTDSA-N 1 0 349.431 2.287 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000271666532 464357266 /nfs/dbraw/zinc/35/72/66/464357266.db2.gz WFBZYABQVKLAJE-HUUCEWRRSA-N 1 0 325.434 2.223 20 5 EEBDRO CC1=C(Br)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000281180353 464362287 /nfs/dbraw/zinc/36/22/87/464362287.db2.gz QTFSHHPRISYMDI-UHFFFAOYSA-N 1 0 342.193 2.131 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000237707678 464367025 /nfs/dbraw/zinc/36/70/25/464367025.db2.gz QKGQDBHFRIHVGV-DYVFJYSZSA-N 1 0 342.399 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577413 464381573 /nfs/dbraw/zinc/38/15/73/464381573.db2.gz BCMYFBLBQMZOBB-CHWSQXEVSA-N 1 0 334.294 2.361 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237892064 464397409 /nfs/dbraw/zinc/39/74/09/464397409.db2.gz GXCJRMHYCMEXNX-NSHDSACASA-N 1 0 332.385 2.200 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237942428 464408227 /nfs/dbraw/zinc/40/82/27/464408227.db2.gz OGWFAAGYWVBYNH-GFCCVEGCSA-N 1 0 341.795 2.357 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264659489 464411802 /nfs/dbraw/zinc/41/18/02/464411802.db2.gz YJERUMVUENSRGX-ZDUSSCGKSA-N 1 0 348.359 2.203 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189126231 464438734 /nfs/dbraw/zinc/43/87/34/464438734.db2.gz ACULYKPFAYBNPS-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000245430138 464481281 /nfs/dbraw/zinc/48/12/81/464481281.db2.gz ACIKNCVFPJXTEW-WBVHZDCISA-N 1 0 342.399 2.080 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+](C)C1CC1 ZINC000181466128 464494789 /nfs/dbraw/zinc/49/47/89/464494789.db2.gz HJSKQIQLSNOQIO-VIFPVBQESA-N 1 0 343.330 2.409 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272356043 464576648 /nfs/dbraw/zinc/57/66/48/464576648.db2.gz RHPOSYSIGFOVEZ-SECBINFHSA-N 1 0 331.319 2.266 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281927223 464637151 /nfs/dbraw/zinc/63/71/51/464637151.db2.gz DAEBKCBNOHHTTA-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285675186 464654761 /nfs/dbraw/zinc/65/47/61/464654761.db2.gz JAJCAGKPLFVXHV-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272570045 464662818 /nfs/dbraw/zinc/66/28/18/464662818.db2.gz FQXWBRYQDUVPQP-MEDUHNTESA-N 1 0 328.372 2.242 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593896 464672962 /nfs/dbraw/zinc/67/29/62/464672962.db2.gz OJQUXSMLGLXOKA-JKSUJKDBSA-N 1 0 346.431 2.263 20 5 EEBDRO CC(C)CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247540551 464693269 /nfs/dbraw/zinc/69/32/69/464693269.db2.gz JYSRCWFBDYTIGE-NVXWUHKLSA-N 1 0 338.404 2.081 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934590 464739456 /nfs/dbraw/zinc/73/94/56/464739456.db2.gz FQFUPVAQKJTCPF-CJNGLKHVSA-N 1 0 344.415 2.348 20 5 EEBDRO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285997900 464768720 /nfs/dbraw/zinc/76/87/20/464768720.db2.gz POYYAGSTQJYQQU-CVEARBPZSA-N 1 0 332.404 2.014 20 5 EEBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286147076 464819442 /nfs/dbraw/zinc/81/94/42/464819442.db2.gz IIBBYQXLGXQXPB-NNQSOWQGSA-N 1 0 333.388 2.057 20 5 EEBDRO C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](C)CC1 ZINC000295446784 464839378 /nfs/dbraw/zinc/83/93/78/464839378.db2.gz GWILHALECPJQDH-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000286486813 464935478 /nfs/dbraw/zinc/93/54/78/464935478.db2.gz OSVQWABJMPUVRC-AWEZNQCLSA-N 1 0 346.387 2.343 20 5 EEBDRO COCCOC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177160985 464946009 /nfs/dbraw/zinc/94/60/09/464946009.db2.gz GAGGLZGONRGKSJ-LBPRGKRZSA-N 1 0 335.360 2.221 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177332589 464989437 /nfs/dbraw/zinc/98/94/37/464989437.db2.gz AUHYJWAMUNENLW-KGLIPLIRSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000276624848 465005621 /nfs/dbraw/zinc/00/56/21/465005621.db2.gz NHHRYSNIQSVKNJ-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO O=C(CC[NH+]1CCC(O)(C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337355793 465324031 /nfs/dbraw/zinc/32/40/31/465324031.db2.gz CDNTVKAGYFTRBH-UHFFFAOYSA-N 1 0 343.330 2.015 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411473 465354201 /nfs/dbraw/zinc/35/42/01/465354201.db2.gz NQUTWKYPFQIFJJ-YPMHNXCESA-N 1 0 343.330 2.334 20 5 EEBDRO [NH3+]CC1(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000593915358 468431701 /nfs/dbraw/zinc/43/17/01/468431701.db2.gz VMHVGFHAUKPVIL-UHFFFAOYSA-N 1 0 342.193 2.216 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cc2ccccc2)n1 ZINC000348277099 465527749 /nfs/dbraw/zinc/52/77/49/465527749.db2.gz FYNCAMNWBWZVPQ-IXDOHACOSA-N 1 0 344.415 2.468 20 5 EEBDRO Cn1nccc1[C@H]1OCC[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579306 465530954 /nfs/dbraw/zinc/53/09/54/465530954.db2.gz KFZNTNJAJMZVSB-KSSFIOAISA-N 1 0 342.399 2.464 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000298912387 465540161 /nfs/dbraw/zinc/54/01/61/465540161.db2.gz DSQMMNSQQJRKEB-ZIAGYGMSSA-N 1 0 348.403 2.029 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccnn1C ZINC000348411879 465590962 /nfs/dbraw/zinc/59/09/62/465590962.db2.gz UHWMIRLNCVRFLN-UHFFFAOYSA-N 1 0 331.376 2.097 20 5 EEBDRO COc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000299106610 465605301 /nfs/dbraw/zinc/60/53/01/465605301.db2.gz WCILHPNGHZGDGN-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344617627 465726028 /nfs/dbraw/zinc/72/60/28/465726028.db2.gz OFPYUDRABSTBJH-NSHDSACASA-N 1 0 337.424 2.292 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119416 465777525 /nfs/dbraw/zinc/77/75/25/465777525.db2.gz IQWMKRLTAMLGRW-IAQYHMDHSA-N 1 0 335.335 2.219 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000591352764 468456174 /nfs/dbraw/zinc/45/61/74/468456174.db2.gz KTSQRVYXBUWUFO-OAHLLOKOSA-N 1 0 334.420 2.359 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000330919150 465860551 /nfs/dbraw/zinc/86/05/51/465860551.db2.gz YCRXKKKRJIVVQG-ZYHUDNBSSA-N 1 0 325.796 2.390 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591358901 468458180 /nfs/dbraw/zinc/45/81/80/468458180.db2.gz PPRMNKCMMSYAEE-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301073251 465895840 /nfs/dbraw/zinc/89/58/40/465895840.db2.gz FXSQJWDEHFYGNV-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349004382 465917652 /nfs/dbraw/zinc/91/76/52/465917652.db2.gz RRWUFJKZSAMQHB-LBPRGKRZSA-N 1 0 326.356 2.367 20 5 EEBDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000371709127 465954674 /nfs/dbraw/zinc/95/46/74/465954674.db2.gz NDCKLNVDPORDIF-MWQQHZPXSA-N 1 0 331.416 2.163 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000361404817 465965051 /nfs/dbraw/zinc/96/50/51/465965051.db2.gz OBIRABJIYAFERI-DLBZAZTESA-N 1 0 330.388 2.379 20 5 EEBDRO C[C@H](CO)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361496182 466046156 /nfs/dbraw/zinc/04/61/56/466046156.db2.gz JPYUMPBYKREKJX-CYBMUJFWSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301941555 466065939 /nfs/dbraw/zinc/06/59/39/466065939.db2.gz UXHUFIVXALTBTC-BETUJISGSA-N 1 0 332.408 2.417 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362843915 466066801 /nfs/dbraw/zinc/06/68/01/466066801.db2.gz SJPIIVWFBNCZCG-DJSGYFEHSA-N 1 0 335.429 2.367 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019735 466079826 /nfs/dbraw/zinc/07/98/26/466079826.db2.gz NGZXOBHGDCLBHT-KGLIPLIRSA-N 1 0 344.415 2.343 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000591446232 468471550 /nfs/dbraw/zinc/47/15/50/468471550.db2.gz VDCSBTJYQJLWJJ-KGLIPLIRSA-N 1 0 340.811 2.366 20 5 EEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788349 466185468 /nfs/dbraw/zinc/18/54/68/466185468.db2.gz XINLNNQRUMIFPP-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367202878 466188020 /nfs/dbraw/zinc/18/80/20/466188020.db2.gz ZUJDZHIMZGATPR-NVXWUHKLSA-N 1 0 332.448 2.365 20 5 EEBDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049629 466195123 /nfs/dbraw/zinc/19/51/23/466195123.db2.gz OCWZDUDPFRXXPW-SJORKVTESA-N 1 0 330.388 2.298 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000331711971 466211299 /nfs/dbraw/zinc/21/12/99/466211299.db2.gz FYUPRYREAOMNQU-AWEZNQCLSA-N 1 0 349.435 2.210 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367272584 466230801 /nfs/dbraw/zinc/23/08/01/466230801.db2.gz VJVMTXNSWISQFC-HZPDHXFCSA-N 1 0 346.431 2.406 20 5 EEBDRO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305786446 466464163 /nfs/dbraw/zinc/46/41/63/466464163.db2.gz BCTLVVMEWNKJCU-RRQGHBQHSA-N 1 0 347.415 2.183 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332356051 466525228 /nfs/dbraw/zinc/52/52/28/466525228.db2.gz ZMTMEKAXXAHROH-HIFRSBDPSA-N 1 0 346.431 2.408 20 5 EEBDRO CCN(CC[NH+]1CCCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347278703 466530458 /nfs/dbraw/zinc/53/04/58/466530458.db2.gz QNQWBTTVTIPOIV-UHFFFAOYSA-N 1 0 348.447 2.392 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000332386239 466536750 /nfs/dbraw/zinc/53/67/50/466536750.db2.gz JLYOOTYOUOLHMH-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+](C)C)CC1 ZINC000354406336 466544208 /nfs/dbraw/zinc/54/42/08/466544208.db2.gz LMFJHWUASXDXIN-CYBMUJFWSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000591678590 468501640 /nfs/dbraw/zinc/50/16/40/468501640.db2.gz AWCYXWFIWPXTOD-ZIAGYGMSSA-N 1 0 348.447 2.498 20 5 EEBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000591681079 468502048 /nfs/dbraw/zinc/50/20/48/468502048.db2.gz QJAWVMRGUGGIMO-INIZCTEOSA-N 1 0 343.383 2.352 20 5 EEBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000591684856 468502330 /nfs/dbraw/zinc/50/23/30/468502330.db2.gz OMUJUSKMTYWCAL-QGZVFWFLSA-N 1 0 342.399 2.282 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000368482470 466647252 /nfs/dbraw/zinc/64/72/52/466647252.db2.gz NESHZGAGUSZDNP-UXIGCNINSA-N 1 0 337.807 2.377 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415449918 466682775 /nfs/dbraw/zinc/68/27/75/466682775.db2.gz VZIIHKKBTDGXJG-MRVPVSSYSA-N 1 0 332.282 2.426 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406657 466809968 /nfs/dbraw/zinc/80/99/68/466809968.db2.gz XCPSUZLWEHCTFE-RHSMWYFYSA-N 1 0 346.431 2.116 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000370287837 466825270 /nfs/dbraw/zinc/82/52/70/466825270.db2.gz KCMVUJCOXSGPJW-GJZGRUSLSA-N 1 0 333.388 2.237 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997304 467016765 /nfs/dbraw/zinc/01/67/65/467016765.db2.gz UDEIIRNSLSULMI-OAHLLOKOSA-N 1 0 340.811 2.171 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412245982 467048957 /nfs/dbraw/zinc/04/89/57/467048957.db2.gz OHTGFSSUWXQFAU-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413139069 467177816 /nfs/dbraw/zinc/17/78/16/467177816.db2.gz DPWZTSVNDQQXRY-CYBMUJFWSA-N 1 0 330.388 2.036 20 5 EEBDRO CS(=O)(=O)c1cccc(Nc2ccc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000420179231 467316634 /nfs/dbraw/zinc/31/66/34/467316634.db2.gz BVGMIBFVTIYPPF-UHFFFAOYSA-N 1 0 347.396 2.388 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000452093107 467319831 /nfs/dbraw/zinc/31/98/31/467319831.db2.gz VRUINOFGRQVAEG-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420295716 467342028 /nfs/dbraw/zinc/34/20/28/467342028.db2.gz VZPKBVLOCNVJMH-MNOVXSKESA-N 1 0 340.811 2.246 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433808499 467354204 /nfs/dbraw/zinc/35/42/04/467354204.db2.gz CWACYXXIEOIWOV-ZDUSSCGKSA-N 1 0 334.376 2.205 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420325885 467357674 /nfs/dbraw/zinc/35/76/74/467357674.db2.gz BZWGGTDHPJEKDO-IUODEOHRSA-N 1 0 334.420 2.291 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420328029 467359007 /nfs/dbraw/zinc/35/90/07/467359007.db2.gz GWTOESMJTJOFFY-DYVFJYSZSA-N 1 0 346.387 2.064 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429770385 467368244 /nfs/dbraw/zinc/36/82/44/467368244.db2.gz UIBJFEBYIQTXQB-HUUCEWRRSA-N 1 0 344.371 2.254 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000420401781 467396169 /nfs/dbraw/zinc/39/61/69/467396169.db2.gz JKZQBJCDVBOCAS-WCQYABFASA-N 1 0 331.376 2.062 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580024 467444865 /nfs/dbraw/zinc/44/48/65/467444865.db2.gz DCXHDOGJPVBBCX-HOTGVXAUSA-N 1 0 334.420 2.005 20 5 EEBDRO C[C@H]([NH3+])C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430922804 467475892 /nfs/dbraw/zinc/47/58/92/467475892.db2.gz ANAOMGNNMGYTDM-NSHDSACASA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN)C1CCCC1 ZINC000415064954 467479574 /nfs/dbraw/zinc/47/95/74/467479574.db2.gz LUBWTFSMNKOPHR-BLLLJJGKSA-N 1 0 334.420 2.419 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000453397496 467485482 /nfs/dbraw/zinc/48/54/82/467485482.db2.gz JNDWDGHXWKRBDX-LBPRGKRZSA-N 1 0 343.387 2.243 20 5 EEBDRO CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431069467 467491989 /nfs/dbraw/zinc/49/19/89/467491989.db2.gz LZTSEAVERPTYKZ-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449743586 467703811 /nfs/dbraw/zinc/70/38/11/467703811.db2.gz ZJNIKTGEKYUJQT-RISCZKNCSA-N 1 0 344.396 2.152 20 5 EEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000515300296 467983318 /nfs/dbraw/zinc/98/33/18/467983318.db2.gz OBDZGJGDFCJRKO-CYBMUJFWSA-N 1 0 341.433 2.049 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487519588 468042973 /nfs/dbraw/zinc/04/29/73/468042973.db2.gz RULKJQSNUPYOMX-TVQRCGJNSA-N 1 0 345.321 2.428 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000518394777 468114367 /nfs/dbraw/zinc/11/43/67/468114367.db2.gz YUSZITYAUBCLRF-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000589260833 468137985 /nfs/dbraw/zinc/13/79/85/468137985.db2.gz OUVSAIVWYBXJDU-TXEJJXNPSA-N 1 0 345.355 2.089 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)OC ZINC000533020084 468162700 /nfs/dbraw/zinc/16/27/00/468162700.db2.gz CAMCQIBZLGTGDI-NSHDSACASA-N 1 0 339.392 2.287 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](NC[C@@H](O)C[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000568043798 468263316 /nfs/dbraw/zinc/26/33/16/468263316.db2.gz VGYGJVPTCADFPK-ZIAGYGMSSA-N 1 0 347.337 2.245 20 5 EEBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759163 468515876 /nfs/dbraw/zinc/51/58/76/468515876.db2.gz HGQGWYGEMVDFQQ-RBSFLKMASA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000591764412 468517350 /nfs/dbraw/zinc/51/73/50/468517350.db2.gz NGVZWROUNZTDDE-UKPHBRMFSA-N 1 0 348.378 2.217 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000600312326 468529465 /nfs/dbraw/zinc/52/94/65/468529465.db2.gz FEEPDNUSRAHKJF-LLVKDONJSA-N 1 0 339.367 2.204 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418816 468579575 /nfs/dbraw/zinc/57/95/75/468579575.db2.gz LVYALHIIRHEHER-NEPJUHHUSA-N 1 0 335.408 2.188 20 5 EEBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594437050 468587294 /nfs/dbraw/zinc/58/72/94/468587294.db2.gz SOGKWPDVWJKCEZ-YJBOKZPZSA-N 1 0 329.400 2.476 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594516459 468614361 /nfs/dbraw/zinc/61/43/61/468614361.db2.gz RRNCCLQSJNJWBJ-CYBMUJFWSA-N 1 0 329.404 2.494 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000600716213 468630948 /nfs/dbraw/zinc/63/09/48/468630948.db2.gz XIOOEOPNVIWANC-MRXNPFEDSA-N 1 0 334.420 2.162 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000597713683 468648062 /nfs/dbraw/zinc/64/80/62/468648062.db2.gz FOTBYFRKQMBKSC-GOSISDBHSA-N 1 0 347.415 2.308 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253407 468665537 /nfs/dbraw/zinc/66/55/37/468665537.db2.gz FGIKRAYGASBRRW-KGLIPLIRSA-N 1 0 347.415 2.455 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000592428745 468695990 /nfs/dbraw/zinc/69/59/90/468695990.db2.gz TVZLVXAAPOWCOD-IAQYHMDHSA-N 1 0 348.428 2.266 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471225 468705729 /nfs/dbraw/zinc/70/57/29/468705729.db2.gz MYNDCJNSDDAEQZ-UHFFFAOYSA-N 1 0 332.404 2.058 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597925005 468712700 /nfs/dbraw/zinc/71/27/00/468712700.db2.gz MDKVGEGPXWPMKB-CYBMUJFWSA-N 1 0 335.404 2.353 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000592543926 468727494 /nfs/dbraw/zinc/72/74/94/468727494.db2.gz YCKYBKUMZVYMJE-CQSZACIVSA-N 1 0 325.796 2.247 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569039 468731695 /nfs/dbraw/zinc/73/16/95/468731695.db2.gz WRNCUIPFNQZHMJ-CYBMUJFWSA-N 1 0 332.404 2.188 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223280 468787964 /nfs/dbraw/zinc/78/79/64/468787964.db2.gz XNSOFUKLGFQBEH-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595289536 468801207 /nfs/dbraw/zinc/80/12/07/468801207.db2.gz DWIZPRGCIIUZRS-CQSZACIVSA-N 1 0 335.379 2.472 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598262850 468810980 /nfs/dbraw/zinc/81/09/80/468810980.db2.gz MSTXTUHWCUDKPJ-HNNXBMFYSA-N 1 0 348.447 2.268 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593073035 468860737 /nfs/dbraw/zinc/86/07/37/468860737.db2.gz OAXMOBJAIYSPNW-UHFFFAOYSA-N 1 0 325.315 2.315 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593187949 468898559 /nfs/dbraw/zinc/89/85/59/468898559.db2.gz WKIQPOPTRRMZFG-MGPQQGTHSA-N 1 0 335.404 2.303 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000593189940 468900359 /nfs/dbraw/zinc/90/03/59/468900359.db2.gz CYSWEMCIBHFVNN-MXWKQRLJSA-N 1 0 339.367 2.296 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595706954 468963219 /nfs/dbraw/zinc/96/32/19/468963219.db2.gz ZOWFLAHAXGMLBM-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000595705703 468963577 /nfs/dbraw/zinc/96/35/77/468963577.db2.gz YACDQPGDMDXRKV-CYBMUJFWSA-N 1 0 349.435 2.179 20 5 EEBDRO C[C@@H](O)[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595766887 468997721 /nfs/dbraw/zinc/99/77/21/468997721.db2.gz SEQMQRYFTDDBSV-NOZJJQNGSA-N 1 0 327.768 2.032 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593666693 469084759 /nfs/dbraw/zinc/08/47/59/469084759.db2.gz PTGGVYAHPGSWNC-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CSCC1CC[NH2+]CC1 ZINC000573321337 469106938 /nfs/dbraw/zinc/10/69/38/469106938.db2.gz IHTVPXKRHWDASR-UHFFFAOYSA-N 1 0 339.417 2.275 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000602117028 469198424 /nfs/dbraw/zinc/19/84/24/469198424.db2.gz NTXDSZBWQJGTJB-CQSZACIVSA-N 1 0 349.431 2.439 20 5 EEBDRO Cn1cc(C[N@H+](CCCO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611271623 469215589 /nfs/dbraw/zinc/21/55/89/469215589.db2.gz VPVXSLFAWRQDHR-UHFFFAOYSA-N 1 0 330.388 2.342 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000596251714 469221916 /nfs/dbraw/zinc/22/19/16/469221916.db2.gz XESXEEFGIMJIQY-UHFFFAOYSA-N 1 0 344.415 2.472 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603199861 469307183 /nfs/dbraw/zinc/30/71/83/469307183.db2.gz KRGJUYRVYFPBJG-UHFFFAOYSA-N 1 0 333.367 2.402 20 5 EEBDRO CO[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000602454838 469323594 /nfs/dbraw/zinc/32/35/94/469323594.db2.gz RCQSFNOOAFVHJK-GOSISDBHSA-N 1 0 349.431 2.158 20 5 EEBDRO Cc1cc(NCCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925109 469345994 /nfs/dbraw/zinc/34/59/94/469345994.db2.gz JZIQAVHKAFRHMN-CYBMUJFWSA-N 1 0 331.372 2.338 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000602527378 469350418 /nfs/dbraw/zinc/35/04/18/469350418.db2.gz QAOOGQDJJNIMTA-CYBMUJFWSA-N 1 0 348.321 2.491 20 5 EEBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557028 469359964 /nfs/dbraw/zinc/35/99/64/469359964.db2.gz IYJLOBGUUIUYEX-KGLIPLIRSA-N 1 0 336.436 2.345 20 5 EEBDRO CC[C@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557029 469360228 /nfs/dbraw/zinc/36/02/28/469360228.db2.gz IYJLOBGUUIUYEX-UONOGXRCSA-N 1 0 336.436 2.345 20 5 EEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573891 469367577 /nfs/dbraw/zinc/36/75/77/469367577.db2.gz ABPAHMPXGIKDII-UHFFFAOYSA-N 1 0 333.310 2.475 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3c[nH]nc3C2)n1 ZINC000618571437 469393279 /nfs/dbraw/zinc/39/32/79/469393279.db2.gz QISVHTCLFVXBSW-GZBFAFLISA-N 1 0 330.392 2.145 20 5 EEBDRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748775 469791641 /nfs/dbraw/zinc/79/16/41/469791641.db2.gz CTXLYROMEAXPPE-GUYCJALGSA-N 1 0 347.415 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+]([C@H]4CCCOC4)CC3)nc2c1 ZINC000614185848 469873571 /nfs/dbraw/zinc/87/35/71/469873571.db2.gz PADXNJIAWRMVCS-AWEZNQCLSA-N 1 0 345.403 2.162 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609147420 469896591 /nfs/dbraw/zinc/89/65/91/469896591.db2.gz CWBOIUOJBTWYBB-CQSZACIVSA-N 1 0 337.395 2.421 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386497 469924421 /nfs/dbraw/zinc/92/44/21/469924421.db2.gz VJYCAXUJEKAIBB-AWEZNQCLSA-N 1 0 334.420 2.304 20 5 EEBDRO COCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367385 470007513 /nfs/dbraw/zinc/00/75/13/470007513.db2.gz MKFQTHSRBGOXHG-CYBMUJFWSA-N 1 0 335.404 2.130 20 5 EEBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000130254922 534166072 /nfs/dbraw/zinc/16/60/72/534166072.db2.gz WMIWVYBTZIKZSH-UHFFFAOYSA-N 1 0 330.344 2.318 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000178167853 534328567 /nfs/dbraw/zinc/32/85/67/534328567.db2.gz SLKFSIKMDWUFAV-MRXNPFEDSA-N 1 0 342.399 2.129 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171692325 527735542 /nfs/dbraw/zinc/73/55/42/527735542.db2.gz OCNICPMRUOGZFM-ZDUSSCGKSA-N 1 0 334.420 2.384 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266065916 535525287 /nfs/dbraw/zinc/52/52/87/535525287.db2.gz WCZPDABXEWNISL-UHFFFAOYSA-N 1 0 337.420 2.334 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451773937 535547308 /nfs/dbraw/zinc/54/73/08/535547308.db2.gz NTCDOTPWHUOBFU-GLQYFDAESA-N 1 0 349.387 2.243 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771508646 577216429 /nfs/dbraw/zinc/21/64/29/577216429.db2.gz JHLRYXSTKKCYCW-UHFFFAOYSA-N 1 0 349.416 2.156 20 5 EEBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000774626284 577407247 /nfs/dbraw/zinc/40/72/47/577407247.db2.gz SYCVMTBWQRWMOB-WFASDCNBSA-N 1 0 346.387 2.441 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000776275736 577456374 /nfs/dbraw/zinc/45/63/74/577456374.db2.gz KWMMUIQPLIBEIE-HOTGVXAUSA-N 1 0 344.367 2.400 20 5 EEBDRO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579510 577463075 /nfs/dbraw/zinc/46/30/75/577463075.db2.gz MCACGCIJNKJHOL-ZFWWWQNUSA-N 1 0 332.360 2.199 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887253 577564989 /nfs/dbraw/zinc/56/49/89/577564989.db2.gz IYFDUAGHBODBGL-SNVBAGLBSA-N 1 0 347.462 2.007 20 5 EEBDRO C[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000751941952 577762888 /nfs/dbraw/zinc/76/28/88/577762888.db2.gz OTTFKJLHHNMYJD-RYUDHWBXSA-N 1 0 332.360 2.051 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000742397739 577872372 /nfs/dbraw/zinc/87/23/72/577872372.db2.gz LDSRQCJNSVABSQ-VIFPVBQESA-N 1 0 326.353 2.056 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCc3sccc3C2)c1 ZINC000749684301 577979899 /nfs/dbraw/zinc/97/98/99/577979899.db2.gz AWWUAABVKPZXDI-MRXNPFEDSA-N 1 0 347.440 2.338 20 5 EEBDRO COCCOc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749688267 577980019 /nfs/dbraw/zinc/98/00/19/577980019.db2.gz KLJAQEGCVOKGIR-QGZVFWFLSA-N 1 0 346.383 2.443 20 5 EEBDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000749849358 577982954 /nfs/dbraw/zinc/98/29/54/577982954.db2.gz ZJAVDDRMPQTTLX-JTQLQIEISA-N 1 0 327.768 2.155 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001020803412 675503333 /nfs/dbraw/zinc/50/33/33/675503333.db2.gz FIPCZEZUOKRNOU-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC001021840279 676518131 /nfs/dbraw/zinc/51/81/31/676518131.db2.gz IZFMDVACFPFPCN-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1O ZINC001021850553 676520367 /nfs/dbraw/zinc/52/03/67/676520367.db2.gz JJMSPKLSBZTYGI-OKILXGFUSA-N 1 0 341.367 2.351 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021949082 676559226 /nfs/dbraw/zinc/55/92/26/676559226.db2.gz GMORRYSQODPQGZ-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001022576166 677922051 /nfs/dbraw/zinc/92/20/51/677922051.db2.gz FRQASHRUQQPFLG-IZHRXLMESA-N 1 0 335.429 2.439 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022626475 678029853 /nfs/dbraw/zinc/02/98/53/678029853.db2.gz OGVIEUMOYGDYLI-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022874850 678692254 /nfs/dbraw/zinc/69/22/54/678692254.db2.gz SPVRYHNJKNYKGS-OKILXGFUSA-N 1 0 329.356 2.167 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000894131179 681623966 /nfs/dbraw/zinc/62/39/66/681623966.db2.gz OWNVZWDRXUEZIG-ZDUSSCGKSA-N 1 0 344.415 2.366 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 ZINC000983007377 681647084 /nfs/dbraw/zinc/64/70/84/681647084.db2.gz XBVWPEHDQUNHEN-SHTZXODSSA-N 1 0 340.383 2.288 20 5 EEBDRO C[C@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000892820662 683102181 /nfs/dbraw/zinc/10/21/81/683102181.db2.gz REHLMJQLHZDMCU-CHWSQXEVSA-N 1 0 334.420 2.480 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000892931178 683202880 /nfs/dbraw/zinc/20/28/80/683202880.db2.gz IAMYCUPDODEDLA-UHFFFAOYSA-N 1 0 334.420 2.392 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000899937355 693931436 /nfs/dbraw/zinc/93/14/36/693931436.db2.gz PGXOPZJBVIJVGX-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO C[C@H]1CN([C@H](C[NH2+]CC[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000905044966 694508849 /nfs/dbraw/zinc/50/88/49/694508849.db2.gz GSJOIJHQLYSADY-SMDDNHRTSA-N 1 0 345.802 2.107 20 5 EEBDRO O=C(NCC[NH2+]C1c2ccccc2-c2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936484 1189063449 /nfs/dbraw/zinc/06/34/49/1189063449.db2.gz KPNQABZLSFNMSF-IAGOWNOFSA-N 1 0 337.379 2.127 20 5 EEBDRO CN(C(=O)c1cn[nH]c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005142332 1194508677 /nfs/dbraw/zinc/50/86/77/1194508677.db2.gz RFXLGKJPUKBJNQ-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1cc(F)ccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005381488 1195313815 /nfs/dbraw/zinc/31/38/15/1195313815.db2.gz LNAUDNGQNSUNNW-IAGOWNOFSA-N 1 0 349.406 2.222 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C2(C)CCC2)CC1 ZINC001034709383 1196593563 /nfs/dbraw/zinc/59/35/63/1196593563.db2.gz FMXFDZLIAYTAJE-JOCQHMNTSA-N 1 0 349.435 2.036 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000872019123 1198026794 /nfs/dbraw/zinc/02/67/94/1198026794.db2.gz SXNUPNQSTMYBCN-QWRGUYRKSA-N 1 0 344.458 2.402 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(F)(F)F ZINC000872149562 1198057215 /nfs/dbraw/zinc/05/72/15/1198057215.db2.gz OQPBVUYFEBILGH-WCBMZHEXSA-N 1 0 344.293 2.305 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865568000 1198280438 /nfs/dbraw/zinc/28/04/38/1198280438.db2.gz WGWDMNINAAREBM-GFCCVEGCSA-N 1 0 325.384 2.394 20 5 EEBDRO Cc1c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000873055792 1198486146 /nfs/dbraw/zinc/48/61/46/1198486146.db2.gz MTUMCKWQVDVXEL-HNNXBMFYSA-N 1 0 333.432 2.494 20 5 EEBDRO Cc1c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873124076 1198506556 /nfs/dbraw/zinc/50/65/56/1198506556.db2.gz AYUVEHDVCFAHAL-CQSZACIVSA-N 1 0 347.337 2.256 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)ccn1 ZINC000874986370 1199096203 /nfs/dbraw/zinc/09/62/03/1199096203.db2.gz PNJHXXYZYXLIAW-UHFFFAOYSA-N 1 0 331.328 2.149 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[N@H+](CC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000825873210 1199611618 /nfs/dbraw/zinc/61/16/18/1199611618.db2.gz SLINKRAJDTYLJM-CYBMUJFWSA-N 1 0 335.404 2.231 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000825997420 1200068009 /nfs/dbraw/zinc/06/80/09/1200068009.db2.gz BYKATCOBRSNRBY-LSDHHAIUSA-N 1 0 337.420 2.111 20 5 EEBDRO CN(CC[NH+]1CCCC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878100371 1200258016 /nfs/dbraw/zinc/25/80/16/1200258016.db2.gz RBQJURYPEBHGSB-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000878596813 1200563248 /nfs/dbraw/zinc/56/32/48/1200563248.db2.gz HQXICJFASXGHIR-IRXDYDNUSA-N 1 0 332.404 2.448 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1C ZINC000870972924 1200984068 /nfs/dbraw/zinc/98/40/68/1200984068.db2.gz BZZJVEBDCTUJLT-UBSAEIQESA-N 1 0 333.388 2.172 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866182249 1201457631 /nfs/dbraw/zinc/45/76/31/1201457631.db2.gz OIASBFDWWZLKAK-CYBMUJFWSA-N 1 0 337.395 2.467 20 5 EEBDRO CC(=O)c1ccc(N2CCC(N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866212727 1201466745 /nfs/dbraw/zinc/46/67/45/1201466745.db2.gz NQCKHFMWAVCYOD-UHFFFAOYSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCCC2 ZINC000866337601 1201495592 /nfs/dbraw/zinc/49/55/92/1201495592.db2.gz KXYDEEXOLDKNSX-LLVKDONJSA-N 1 0 333.367 2.383 20 5 EEBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866341251 1201496270 /nfs/dbraw/zinc/49/62/70/1201496270.db2.gz LIJHIUCJTZCNGZ-BXUZGUMPSA-N 1 0 339.367 2.485 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)n1 ZINC000880569257 1201525189 /nfs/dbraw/zinc/52/51/89/1201525189.db2.gz KGAVBRCHFXBOFI-HNNXBMFYSA-N 1 0 326.360 2.019 20 5 EEBDRO COc1ccc(C[N@H+](CCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000880572417 1201526729 /nfs/dbraw/zinc/52/67/29/1201526729.db2.gz QZFIFDAZGLDFAM-GOSISDBHSA-N 1 0 346.383 2.131 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866617109 1201561222 /nfs/dbraw/zinc/56/12/22/1201561222.db2.gz FAZSTUKNIBYOEN-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000884049676 1202212814 /nfs/dbraw/zinc/21/28/14/1202212814.db2.gz AAIHEJPIFFDXAO-MRXNPFEDSA-N 1 0 348.447 2.253 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095415477 1205710071 /nfs/dbraw/zinc/71/00/71/1205710071.db2.gz FBDHXCLRWVMJDH-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931046022 1206602457 /nfs/dbraw/zinc/60/24/57/1206602457.db2.gz RWIYMKSVNMGVMY-GXFFZTMASA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000931046316 1206602582 /nfs/dbraw/zinc/60/25/82/1206602582.db2.gz UHUWFDHFXCLXCI-WWGRRREGSA-N 1 0 334.420 2.255 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931651068 1207433265 /nfs/dbraw/zinc/43/32/65/1207433265.db2.gz DRRKLRXPMYGWHO-YESZJQIVSA-N 1 0 329.400 2.395 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778249778 1207977007 /nfs/dbraw/zinc/97/70/07/1207977007.db2.gz CHTORUHYDFPKPC-SNVBAGLBSA-N 1 0 349.416 2.060 20 5 EEBDRO CC[C@@H](CSC)N(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000091024713 1213393723 /nfs/dbraw/zinc/39/37/23/1213393723.db2.gz UVTJKPNWMCVOLY-JTQLQIEISA-N 1 0 337.401 2.222 20 5 EEBDRO CCN(CCCNC(=O)CC[N@H+](C)CC)c1ccc([N+](=O)[O-])cc1 ZINC001095911774 1213914592 /nfs/dbraw/zinc/91/45/92/1213914592.db2.gz QDDIPQOFYGEDFS-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CCN(CCCNC(=O)C[NH+]1CCCC1)c1ccc(C)cc1[N+](=O)[O-] ZINC001095886007 1213989809 /nfs/dbraw/zinc/98/98/09/1213989809.db2.gz RLERIUPSJSNCBU-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000722191703 1277789102 /nfs/dbraw/zinc/78/91/02/1277789102.db2.gz XBVLPFFVGHBFCH-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001045437150 1233744720 /nfs/dbraw/zinc/74/47/20/1233744720.db2.gz GCILUOVTFWBCAD-ZIAGYGMSSA-N 1 0 337.445 2.192 20 5 EEBDRO C[NH+](C)CCCC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096068396 1234372546 /nfs/dbraw/zinc/37/25/46/1234372546.db2.gz NOMOMJCSHVAAGU-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CCCC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096247342 1236656604 /nfs/dbraw/zinc/65/66/04/1236656604.db2.gz SJDIYMBUAXSAGG-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO CC(C)(C)C(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096253272 1236686212 /nfs/dbraw/zinc/68/62/12/1236686212.db2.gz HVTHPNZBBYARTD-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CC1(C(=O)NCCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001096260818 1236784508 /nfs/dbraw/zinc/78/45/08/1236784508.db2.gz NPFXYPWGJFYNEL-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000902995770 1239292164 /nfs/dbraw/zinc/29/21/64/1239292164.db2.gz FGFGRODIQVLXGJ-LLVKDONJSA-N 1 0 325.340 2.366 20 5 EEBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000803497801 1240535397 /nfs/dbraw/zinc/53/53/97/1240535397.db2.gz XTEZOSGERGOIGM-ZDUSSCGKSA-N 1 0 325.321 2.132 20 5 EEBDRO O=C(NCC1CC[NH+](C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001396887 1242191714 /nfs/dbraw/zinc/19/17/14/1242191714.db2.gz UEVSITWNBKIXKV-DSCOKBBTSA-N 1 0 343.427 2.193 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001050517503 1243768938 /nfs/dbraw/zinc/76/89/38/1243768938.db2.gz VJMAVPZOQJSEGU-HZPDHXFCSA-N 1 0 333.432 2.076 20 5 EEBDRO C[N@H+](CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001057446233 1243801007 /nfs/dbraw/zinc/80/10/07/1243801007.db2.gz FXXKGHBKZOEWJR-UHFFFAOYSA-N 1 0 346.431 2.482 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCCC[NH+]1CCCC1 ZINC001101663882 1246096420 /nfs/dbraw/zinc/09/64/20/1246096420.db2.gz ATQFIZTVIGFGAE-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001068494566 1251164463 /nfs/dbraw/zinc/16/44/63/1251164463.db2.gz WKRPELCXNSUREW-SHTZXODSSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580941 1278145131 /nfs/dbraw/zinc/14/51/31/1278145131.db2.gz UHLGNJCTKJQERA-IACUBPJLSA-N 1 0 334.420 2.475 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000723696521 1277810068 /nfs/dbraw/zinc/81/00/68/1277810068.db2.gz WNMLIAXDOOROBO-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104412674 1285123471 /nfs/dbraw/zinc/12/34/71/1285123471.db2.gz SLJSMCLZWPHKPF-LBPRGKRZSA-N 1 0 336.348 2.059 20 5 EEBDRO O=C(COCC1CC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199471531 1285669489 /nfs/dbraw/zinc/66/94/89/1285669489.db2.gz ZYRXQJYCPQSXGY-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO CC(C)OCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199603962 1285732417 /nfs/dbraw/zinc/73/24/17/1285732417.db2.gz PCQABCAUROMNQQ-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC3(C2)OCCO3)n1 ZINC000927001912 1296986238 /nfs/dbraw/zinc/98/62/38/1296986238.db2.gz QLZHCQZSWZGYDI-ZIAGYGMSSA-N 1 0 336.392 2.018 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001217967144 1297539288 /nfs/dbraw/zinc/53/92/88/1297539288.db2.gz BOXZQXWDTXOYHV-HQJQHLMTSA-N 1 0 348.140 2.186 20 5 EEBDRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979034 1297889799 /nfs/dbraw/zinc/88/97/99/1297889799.db2.gz GZWAWKVOKAECPV-AWEZNQCLSA-N 1 0 332.367 2.015 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(c(Br)c1)CNC2=O ZINC001227704349 1301934947 /nfs/dbraw/zinc/93/49/47/1301934947.db2.gz APWZMXWZEJLHMX-VIFPVBQESA-O 1 0 328.230 2.166 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CCC([NH+]2CCCCC2)CC1 ZINC000781454614 1303801046 /nfs/dbraw/zinc/80/10/46/1303801046.db2.gz PEIARVOTLRPEAA-UHFFFAOYSA-N 1 0 347.419 2.330 20 5 EEBDRO Cc1cc(NCCS(=O)(=O)CC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782960222 1304163315 /nfs/dbraw/zinc/16/33/15/1304163315.db2.gz PSLLTDSVBUQAGR-UHFFFAOYSA-N 1 0 349.412 2.110 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233812398 1304601188 /nfs/dbraw/zinc/60/11/88/1304601188.db2.gz LVWRVVBKJIOHLX-UHFFFAOYSA-N 1 0 346.387 2.452 20 5 EEBDRO COCC[NH+]1CCC(Oc2ccc(CC[N+](=O)[O-])cc2OC)CC1 ZINC001233985578 1304669405 /nfs/dbraw/zinc/66/94/05/1304669405.db2.gz BLFRTIRWFQXISO-UHFFFAOYSA-N 1 0 338.404 2.004 20 5 EEBDRO CC(C)[C@H](F)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001121161247 1309937924 /nfs/dbraw/zinc/93/79/24/1309937924.db2.gz VBUZOBDHUKPKFM-HNNXBMFYSA-N 1 0 338.383 2.279 20 5 EEBDRO O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)o1 ZINC001247230637 1310552663 /nfs/dbraw/zinc/55/26/63/1310552663.db2.gz PNOZHNWBEBLFOI-GORDUTHDSA-N 1 0 339.311 2.449 20 5 EEBDRO [NH3+][C@@H](Cc1nc(-c2cc(F)ccn2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248214235 1310864085 /nfs/dbraw/zinc/86/40/85/1310864085.db2.gz MEYVMKAVQLINNZ-GFCCVEGCSA-N 1 0 343.318 2.291 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc21 ZINC001160740494 1320254849 /nfs/dbraw/zinc/25/48/49/1320254849.db2.gz OMOYVTROUBTYAT-JGVFFNPUSA-N 1 0 329.282 2.423 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857861 1315625480 /nfs/dbraw/zinc/62/54/80/1315625480.db2.gz KDMGVCADDVZNAV-GXSJLCMTSA-N 1 0 326.784 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@@H]4CCC[NH2+]C4)no3)cn2)cc1 ZINC000842665328 1315749757 /nfs/dbraw/zinc/74/97/57/1315749757.db2.gz NCZABQRHDIAMSD-LLVKDONJSA-N 1 0 340.343 2.298 20 5 EEBDRO CC1CCN(c2ccc(-c3nc(CC[NH3+])no3)cc2[N+](=O)[O-])CC1 ZINC000843131433 1315850373 /nfs/dbraw/zinc/85/03/73/1315850373.db2.gz UFFVZPPCEKKNCL-UHFFFAOYSA-N 1 0 331.376 2.382 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000843308350 1315887658 /nfs/dbraw/zinc/88/76/58/1315887658.db2.gz HIJIRFNTTVFKEZ-UHFFFAOYSA-N 1 0 329.759 2.140 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843345854 1315895102 /nfs/dbraw/zinc/89/51/02/1315895102.db2.gz HBPJDUYFOCNIOG-ZWNOBZJWSA-N 1 0 340.811 2.388 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843353402 1315898055 /nfs/dbraw/zinc/89/80/55/1315898055.db2.gz HLIUXKFNMLNODH-GHMZBOCLSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843399448 1315907790 /nfs/dbraw/zinc/90/77/90/1315907790.db2.gz QSJFFIKNPGHWIZ-INIZCTEOSA-N 1 0 335.404 2.100 20 5 EEBDRO Cc1c(C(=O)NCCCCCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843510371 1315926100 /nfs/dbraw/zinc/92/61/00/1315926100.db2.gz OIRZHHODPFFCCM-UHFFFAOYSA-N 1 0 338.364 2.369 20 5 EEBDRO COc1ccccc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150170564 1316189962 /nfs/dbraw/zinc/18/99/62/1316189962.db2.gz XGHKSOVMWIMVEJ-UHFFFAOYSA-N 1 0 349.412 2.113 20 5 EEBDRO COCc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001150635874 1316323566 /nfs/dbraw/zinc/32/35/66/1316323566.db2.gz KRXMAFXAUBKCRK-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154528311 1317185073 /nfs/dbraw/zinc/18/50/73/1317185073.db2.gz SBLHDOPADZSRRZ-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251758765 1317499366 /nfs/dbraw/zinc/49/93/66/1317499366.db2.gz ZFIRTEIREPEPKU-ZIAGYGMSSA-N 1 0 335.404 2.135 20 5 EEBDRO O=[N+]([O-])c1cnc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)c(F)c1 ZINC001156206682 1317921797 /nfs/dbraw/zinc/92/17/97/1317921797.db2.gz MAHVXCPPRQTZQA-UHFFFAOYSA-N 1 0 341.346 2.482 20 5 EEBDRO O=C(CCc1ccoc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156394602 1317993297 /nfs/dbraw/zinc/99/32/97/1317993297.db2.gz TXKJSHBGPPDLCD-UHFFFAOYSA-N 1 0 337.401 2.478 20 5 EEBDRO O=c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c[nH]1 ZINC001254466827 1318081063 /nfs/dbraw/zinc/08/10/63/1318081063.db2.gz PBUCSXDWERSDBK-UHFFFAOYSA-N 1 0 328.372 2.454 20 5 EEBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC001254465841 1318081836 /nfs/dbraw/zinc/08/18/36/1318081836.db2.gz NANUUQUGJYTYST-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO COC(=O)c1cccnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542431 1318114974 /nfs/dbraw/zinc/11/49/74/1318114974.db2.gz NFCXSXUZVIHZLD-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254546335 1318117172 /nfs/dbraw/zinc/11/71/72/1318117172.db2.gz RLLVAERLZKERHN-BPUTZDHNSA-N 1 0 349.431 2.189 20 5 EEBDRO CCOC(=O)CC1([NH3+])CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550564 1318118394 /nfs/dbraw/zinc/11/83/94/1318118394.db2.gz LXQPTKWBDOJUQD-AWEZNQCLSA-N 1 0 349.431 2.272 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001254571723 1318126880 /nfs/dbraw/zinc/12/68/80/1318126880.db2.gz AVRYZKXGEBEUAQ-GDBMZVCRSA-N 1 0 326.352 2.492 20 5 EEBDRO O=C1CCC2(CCC([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254576535 1318127169 /nfs/dbraw/zinc/12/71/69/1318127169.db2.gz WZRAXCBQZPEXTR-SWKXRBFHSA-N 1 0 329.400 2.243 20 5 EEBDRO COC(=O)c1cccc(C(=[NH2+])N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580284 1318129551 /nfs/dbraw/zinc/12/95/51/1318129551.db2.gz DDPPCWZIBVPDFR-OAHLLOKOSA-N 1 0 339.351 2.464 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3cccn3)nc1)C2 ZINC001254581985 1318130523 /nfs/dbraw/zinc/13/05/23/1318130523.db2.gz REZLGXFTGVFCOS-MRXNPFEDSA-N 1 0 335.367 2.433 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cncn1C1CCOCC1)C2 ZINC001254589824 1318136602 /nfs/dbraw/zinc/13/66/02/1318136602.db2.gz RMXMYDQFZQMRFE-OAHLLOKOSA-N 1 0 342.399 2.400 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCC1 ZINC001254600978 1318139875 /nfs/dbraw/zinc/13/98/75/1318139875.db2.gz TVFLFQFGXYDMLT-SFHVURJKSA-N 1 0 343.427 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3cnccn3)CC1)C2 ZINC001254606441 1318141685 /nfs/dbraw/zinc/14/16/85/1318141685.db2.gz GILMIECXDHODCQ-INIZCTEOSA-N 1 0 340.383 2.395 20 5 EEBDRO Cc1nccnc1O[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612046 1318145213 /nfs/dbraw/zinc/14/52/13/1318145213.db2.gz URGCXCQMYJXVTM-SJORKVTESA-N 1 0 340.383 2.314 20 5 EEBDRO Nc1nc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001157381737 1318591461 /nfs/dbraw/zinc/59/14/61/1318591461.db2.gz VFJPZISVHIJRJK-UHFFFAOYSA-N 1 0 338.371 2.378 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ccno3)CC2)ccc1[N+](=O)[O-] ZINC001256083199 1318642178 /nfs/dbraw/zinc/64/21/78/1318642178.db2.gz NHZQYBCUGUTRQX-UHFFFAOYSA-N 1 0 332.360 2.350 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@H](O)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256092889 1318645427 /nfs/dbraw/zinc/64/54/27/1318645427.db2.gz AKJAOPATTSTVDW-IUODEOHRSA-N 1 0 335.404 2.027 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@@H](O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100462 1318647349 /nfs/dbraw/zinc/64/73/49/1318647349.db2.gz GKFXFGYPZXSYON-DLBZAZTESA-N 1 0 349.431 2.321 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001157689169 1318798788 /nfs/dbraw/zinc/79/87/88/1318798788.db2.gz HEDQTQXSFMZEEE-CHWSQXEVSA-N 1 0 327.388 2.316 20 5 EEBDRO O=C(NCCC[NH2+]CCc1ccc2ccccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775350 1318852974 /nfs/dbraw/zinc/85/29/74/1318852974.db2.gz PKKNRVFRFBIKDM-QZTJIDSGSA-N 1 0 341.411 2.143 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3nc4ccccc4cc3[N+](=O)[O-])n2)c1 ZINC001158042880 1318982528 /nfs/dbraw/zinc/98/25/28/1318982528.db2.gz IMYJPRKKKYSQRI-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO Cc1nc(Cl)nc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001158745699 1319415646 /nfs/dbraw/zinc/41/56/46/1319415646.db2.gz JHUBXFNONZOAJG-UHFFFAOYSA-N 1 0 332.751 2.187 20 5 EEBDRO CN(C)/C=C/c1cc(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001160140344 1320081788 /nfs/dbraw/zinc/08/17/88/1320081788.db2.gz LDVOSDSGBVPUCZ-AATRIKPKSA-N 1 0 338.371 2.320 20 5 EEBDRO Cc1cnc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161358394 1320473208 /nfs/dbraw/zinc/47/32/08/1320473208.db2.gz MAMIYDBPATUZQQ-JOCQHMNTSA-N 1 0 328.376 2.496 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001162586185 1320904961 /nfs/dbraw/zinc/90/49/61/1320904961.db2.gz COMRRUKWYXPGJW-HNNXBMFYSA-N 1 0 325.340 2.275 20 5 EEBDRO CCc1cncc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001162622018 1320913997 /nfs/dbraw/zinc/91/39/97/1320913997.db2.gz DUMSSWBNBLJSDO-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO O=C(CCc1ccccn1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001163816359 1321224517 /nfs/dbraw/zinc/22/45/17/1321224517.db2.gz RMXDDBCWHKNCJO-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2cnc3c2C[NH2+]CC3)c1 ZINC001164317581 1321349630 /nfs/dbraw/zinc/34/96/30/1321349630.db2.gz UXQICHDQRFSZJC-UHFFFAOYSA-N 1 0 330.735 2.023 20 5 EEBDRO Nc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165084521 1321452047 /nfs/dbraw/zinc/45/20/47/1321452047.db2.gz LEOHZXRQSOUXPM-RHSMWYFYSA-N 1 0 339.399 2.283 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)ccc21 ZINC001165270705 1321488032 /nfs/dbraw/zinc/48/80/32/1321488032.db2.gz KJHGQJIFXXNVIB-KBPBESRZSA-N 1 0 348.790 2.364 20 5 EEBDRO Nc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165305489 1321497804 /nfs/dbraw/zinc/49/78/04/1321497804.db2.gz MCWBDWADFGVIAO-JTQLQIEISA-N 1 0 345.325 2.225 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]2CF)CC1 ZINC001165436628 1321526091 /nfs/dbraw/zinc/52/60/91/1321526091.db2.gz SNLDSYCJPKGRHH-QWRGUYRKSA-N 1 0 331.351 2.051 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1conc1C1CC1 ZINC001166432790 1321719104 /nfs/dbraw/zinc/71/91/04/1321719104.db2.gz OGWYYUGJZVRAGY-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC001306967865 1331503886 /nfs/dbraw/zinc/50/38/86/1331503886.db2.gz TXFYOLSZTQFFSV-UHFFFAOYSA-N 1 0 345.403 2.415 20 5 EEBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@@H+]3CCC[C@H]3C)c2c1 ZINC001306982509 1331505495 /nfs/dbraw/zinc/50/54/95/1331505495.db2.gz GHFJUFGKYHIREW-GFCCVEGCSA-N 1 0 330.388 2.470 20 5 EEBDRO CC[N@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307530542 1331539689 /nfs/dbraw/zinc/53/96/89/1331539689.db2.gz ZBMWXQAODCNCOE-UHFFFAOYSA-N 1 0 335.452 2.476 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCNC3=S)o2)c1 ZINC001308557493 1331598036 /nfs/dbraw/zinc/59/80/36/1331598036.db2.gz MZKORYNWOHUBRO-UHFFFAOYSA-N 1 0 346.412 2.135 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318890084 1332618948 /nfs/dbraw/zinc/61/89/48/1332618948.db2.gz PSHMFPISUXFBAZ-INIZCTEOSA-N 1 0 332.404 2.494 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC001319747093 1332757615 /nfs/dbraw/zinc/75/76/15/1332757615.db2.gz PGOBVMDDSXNMME-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001320495496 1332897076 /nfs/dbraw/zinc/89/70/76/1332897076.db2.gz KUYPJDJBSSUAER-GFCCVEGCSA-N 1 0 329.360 2.399 20 5 EEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609163194 1351871361 /nfs/dbraw/zinc/87/13/61/1351871361.db2.gz UJAANMCEXPDJFZ-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC001609165094 1351871948 /nfs/dbraw/zinc/87/19/48/1351871948.db2.gz DALREVFHDVRJBR-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO COCCn1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC001330352970 1334827875 /nfs/dbraw/zinc/82/78/75/1334827875.db2.gz DVFLOZMIHKMBLJ-LBPRGKRZSA-N 1 0 336.367 2.298 20 5 EEBDRO COc1cccc(C[C@H]([NH3+])C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001330609005 1334876543 /nfs/dbraw/zinc/87/65/43/1334876543.db2.gz BLCANZLHJAZQJL-KRWDZBQOSA-N 1 0 341.367 2.016 20 5 EEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC001332094281 1335727267 /nfs/dbraw/zinc/72/72/67/1335727267.db2.gz GGUPTCWOLGMVAI-SNVBAGLBSA-N 1 0 342.193 2.181 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001335183058 1336345808 /nfs/dbraw/zinc/34/58/08/1336345808.db2.gz QIWRBXHGVXRBOO-UHFFFAOYSA-N 1 0 340.376 2.256 20 5 EEBDRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335335712 1336364540 /nfs/dbraw/zinc/36/45/40/1336364540.db2.gz GLMHATPCJKSYBB-MRXNPFEDSA-N 1 0 349.431 2.255 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(c3ccccn3)CC2)c1 ZINC001336001638 1336463497 /nfs/dbraw/zinc/46/34/97/1336463497.db2.gz GKEFZMOKCQLVCW-HNNXBMFYSA-N 1 0 343.383 2.051 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001337944215 1336760622 /nfs/dbraw/zinc/76/06/22/1336760622.db2.gz VAOIJQMYDAEGPD-ZYHUDNBSSA-N 1 0 349.416 2.202 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001340527613 1337202224 /nfs/dbraw/zinc/20/22/24/1337202224.db2.gz QUMBKBWGNSQQOI-SECBINFHSA-N 1 0 329.809 2.073 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC001341776984 1337298446 /nfs/dbraw/zinc/29/84/46/1337298446.db2.gz DPMRJFDKTMHQRQ-JKSUJKDBSA-N 1 0 329.400 2.300 20 5 EEBDRO C[C@H]([NH3+])c1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001576165219 1343973885 /nfs/dbraw/zinc/97/38/85/1343973885.db2.gz QAOTUSRXQZIOFI-LBPRGKRZSA-N 1 0 329.356 2.423 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590513155 1349361757 /nfs/dbraw/zinc/36/17/57/1349361757.db2.gz ONKAZCFDVSLKFM-CYBMUJFWSA-N 1 0 345.407 2.451 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2csc(-c3nn[nH]n3)c2)cc1 ZINC001593480879 1349813372 /nfs/dbraw/zinc/81/33/72/1349813372.db2.gz APJBCJWMGLGQBZ-UHFFFAOYSA-N 1 0 346.372 2.005 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001603077601 1350634181 /nfs/dbraw/zinc/63/41/81/1350634181.db2.gz FPJYMLGBLIHVMF-NSHDSACASA-N 1 0 331.380 2.060 20 5 EEBDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001605073283 1351073156 /nfs/dbraw/zinc/07/31/56/1351073156.db2.gz XKPMDXABNPGQAC-LBPRGKRZSA-N 1 0 346.391 2.023 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncc(Cl)c1 ZINC001135288864 1368077504 /nfs/dbraw/zinc/07/75/04/1368077504.db2.gz ZQIGBIQUWADTFW-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921053 1368096234 /nfs/dbraw/zinc/09/62/34/1368096234.db2.gz MUYLEVAJYUTWNM-NSHDSACASA-N 1 0 335.408 2.419 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000852288160 1369258900 /nfs/dbraw/zinc/25/89/00/1369258900.db2.gz SFZNHEJBBNOCKP-ROUUACIJSA-N 1 0 330.384 2.164 20 5 EEBDRO CC(C)(C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562883 1372336197 /nfs/dbraw/zinc/33/61/97/1372336197.db2.gz ATPZBUGDOBAOTR-CZUORRHYSA-N 1 0 349.431 2.242 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839536236 1372908514 /nfs/dbraw/zinc/90/85/14/1372908514.db2.gz LRSALAOXGUTPQY-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCC[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001576484391 1403578151 /nfs/dbraw/zinc/57/81/51/1403578151.db2.gz VJJMOKYRZKKISF-RHSMWYFYSA-N 1 0 335.404 2.090 20 5 EEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001580250453 1403854336 /nfs/dbraw/zinc/85/43/36/1403854336.db2.gz NDZBSRRGUDFCKA-GTNSWQLSSA-N 1 0 328.372 2.420 20 5 EEBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725217 720333141 /nfs/dbraw/zinc/33/31/41/720333141.db2.gz MRDCRFZJXFWONI-CVEARBPZSA-N 1 0 325.372 2.238 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049495 721972732 /nfs/dbraw/zinc/97/27/32/721972732.db2.gz OXHMQCZEDOKPOH-HNNXBMFYSA-N 1 0 334.420 2.381 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109520282 805596320 /nfs/dbraw/zinc/59/63/20/805596320.db2.gz CIVWWTIPTNILFB-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311596 757894486 /nfs/dbraw/zinc/89/44/86/757894486.db2.gz SHYONJVORIWOFZ-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892471837 761377058 /nfs/dbraw/zinc/37/70/58/761377058.db2.gz QXOCCUATSLSVBG-ZDUSSCGKSA-N 1 0 342.399 2.120 20 5 EEBDRO O=C(NCC1C[NH+](Cc2ccc(C3CCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662913 770736466 /nfs/dbraw/zinc/73/64/66/770736466.db2.gz ORXGQZUQTAPYCJ-QZTJIDSGSA-N 1 0 343.427 2.167 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000068117961 774214011 /nfs/dbraw/zinc/21/40/11/774214011.db2.gz WGBGLAQAOULDIK-INIZCTEOSA-N 1 0 334.420 2.417 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000846699979 790440301 /nfs/dbraw/zinc/44/03/01/790440301.db2.gz YIVSIVBBMSYJSC-ZJUUUORDSA-N 1 0 347.824 2.057 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091477845 790954619 /nfs/dbraw/zinc/95/46/19/790954619.db2.gz HVIZHSDXKGLEOK-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c([nH]1)CCC2 ZINC001170903279 785255538 /nfs/dbraw/zinc/25/55/38/785255538.db2.gz OSQBSBLVMCNVQC-UHFFFAOYSA-N 1 0 342.399 2.321 20 5 EEBDRO [NH3+]Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000818475912 785263135 /nfs/dbraw/zinc/26/31/35/785263135.db2.gz BORJXBZEENKCGF-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000818532516 785274779 /nfs/dbraw/zinc/27/47/79/785274779.db2.gz NZPZMIVMGVEFQH-SECBINFHSA-N 1 0 329.759 2.046 20 5 EEBDRO COC(=O)c1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818946125 785337646 /nfs/dbraw/zinc/33/76/46/785337646.db2.gz YQKSGLYZYUXWAW-QGZVFWFLSA-N 1 0 344.367 2.247 20 5 EEBDRO C[C@H](COc1ccccc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818968455 785364242 /nfs/dbraw/zinc/36/42/42/785364242.db2.gz AWBNQSOQZYOWBK-ZBFHGGJFSA-N 1 0 346.383 2.392 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082827 785394787 /nfs/dbraw/zinc/39/47/87/785394787.db2.gz SPDBSNIVJNLKIO-DOTOQJQBSA-N 1 0 328.372 2.394 20 5 EEBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819112694 785430336 /nfs/dbraw/zinc/43/03/36/785430336.db2.gz HYLZBRZFOZNDPM-FRRDWIJNSA-N 1 0 326.418 2.208 20 5 EEBDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190826 785455831 /nfs/dbraw/zinc/45/58/31/785455831.db2.gz LAJYWTNBGZBRMI-QGZVFWFLSA-N 1 0 332.404 2.276 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OC1CCCCC1 ZINC000819294235 785489025 /nfs/dbraw/zinc/48/90/25/785489025.db2.gz IQWODFOOHMXJMT-INIZCTEOSA-N 1 0 336.388 2.484 20 5 EEBDRO O=C(c1ccsn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996702655 787191200 /nfs/dbraw/zinc/19/12/00/787191200.db2.gz NVQUSOQHHQLDSW-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[C@]23CC[NH2+]C3)n1 ZINC000822789999 787380881 /nfs/dbraw/zinc/38/08/81/787380881.db2.gz BJNHEALTWICVNL-ZBEGNZNMSA-N 1 0 329.360 2.099 20 5 EEBDRO C[NH+](C)CCOc1ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000823046366 787526218 /nfs/dbraw/zinc/52/62/18/787526218.db2.gz XVQLCLLMMZGFEJ-UHFFFAOYSA-N 1 0 337.420 2.079 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)cc1 ZINC000824603535 788239160 /nfs/dbraw/zinc/23/91/60/788239160.db2.gz SWFGMOPMQNWVDW-UHFFFAOYSA-N 1 0 342.403 2.349 20 5 EEBDRO Cc1c(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000912596420 788254261 /nfs/dbraw/zinc/25/42/61/788254261.db2.gz QQAOIICCEAWGBG-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000843993347 788772626 /nfs/dbraw/zinc/77/26/26/788772626.db2.gz XLYLUYDITGGZGK-GFCCVEGCSA-N 1 0 336.348 2.059 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172912142 791791187 /nfs/dbraw/zinc/79/11/87/791791187.db2.gz LQHDRZNTBWYBFM-OAHLLOKOSA-N 1 0 344.419 2.083 20 5 EEBDRO CN(C)c1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001148961535 792808633 /nfs/dbraw/zinc/80/86/33/792808633.db2.gz RTAGOIKEUAZMMY-UHFFFAOYSA-N 1 0 348.428 2.242 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000785722938 806554699 /nfs/dbraw/zinc/55/46/99/806554699.db2.gz RCRFAJGBSMCSET-UHFFFAOYSA-N 1 0 340.336 2.042 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)CC2 ZINC001172914161 797148355 /nfs/dbraw/zinc/14/83/55/797148355.db2.gz DJJCJEOBBKQCSD-MJGOQNOKSA-N 1 0 345.443 2.249 20 5 EEBDRO CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913547 797172159 /nfs/dbraw/zinc/17/21/59/797172159.db2.gz RORGHEZIZJXKJO-SJLPKXTDSA-N 1 0 331.416 2.395 20 5 EEBDRO C[NH+](C)CCC(=O)NCCCCCCNc1ncccc1[N+](=O)[O-] ZINC001094993701 797172728 /nfs/dbraw/zinc/17/27/28/797172728.db2.gz WKKTUKICQXRAEI-UHFFFAOYSA-N 1 0 337.424 2.030 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c(F)c1 ZINC001173013778 797196470 /nfs/dbraw/zinc/19/64/70/797196470.db2.gz FEYGRDWPMDOXCQ-CYBMUJFWSA-N 1 0 341.358 2.299 20 5 EEBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177845 797277736 /nfs/dbraw/zinc/27/77/36/797277736.db2.gz FHEFUAMFHJVIHZ-GARJFASQSA-N 1 0 340.351 2.072 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1F ZINC001173178133 797277882 /nfs/dbraw/zinc/27/78/82/797277882.db2.gz AIUFIFSLHOVXQC-CPCISQLKSA-N 1 0 340.273 2.186 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001173221963 797303037 /nfs/dbraw/zinc/30/30/37/797303037.db2.gz RNAAXHUDBXLSSR-HOCLYGCPSA-N 1 0 333.432 2.369 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001173225659 797309885 /nfs/dbraw/zinc/30/98/85/797309885.db2.gz UIFBPJCNWQUYCG-GFCCVEGCSA-N 1 0 326.418 2.083 20 5 EEBDRO COCCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001174637997 797815111 /nfs/dbraw/zinc/81/51/11/797815111.db2.gz XGOZGFMNUBDDBX-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cn1c2cc(N[C@H]3CCC[C@H]([NH+](C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000786803517 806903453 /nfs/dbraw/zinc/90/34/53/806903453.db2.gz HGQTXDHHUNNNAX-RYUDHWBXSA-N 1 0 347.419 2.070 20 5 EEBDRO CCCSCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155157693 801920332 /nfs/dbraw/zinc/92/03/32/801920332.db2.gz AGLYGJSRCKMKTR-UHFFFAOYSA-N 1 0 325.434 2.334 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC001086040350 801990767 /nfs/dbraw/zinc/99/07/67/801990767.db2.gz DLFIDICZXBIQED-AKAXFMLLSA-N 1 0 345.399 2.274 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001086338578 802779108 /nfs/dbraw/zinc/77/91/08/802779108.db2.gz VSSNSBHMBLEBBI-YEORSEQZSA-N 1 0 348.428 2.293 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3nccc4c3cccc4[N+](=O)[O-])n2)c1 ZINC001168876923 803491712 /nfs/dbraw/zinc/49/17/12/803491712.db2.gz PNDGLRWQSNRFNV-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001168965631 803552854 /nfs/dbraw/zinc/55/28/54/803552854.db2.gz BENMNHFZPDPCTL-ROUUACIJSA-N 1 0 333.432 2.054 20 5 EEBDRO COc1ccccc1C1(N)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168994589 803561083 /nfs/dbraw/zinc/56/10/83/803561083.db2.gz QEKYAHZLPWZAEN-LSDHHAIUSA-N 1 0 333.432 2.390 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)C1 ZINC001168999939 803565378 /nfs/dbraw/zinc/56/53/78/803565378.db2.gz WKYUCJHTBHVUMR-IAGOWNOFSA-N 1 0 333.432 2.456 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012501 803571132 /nfs/dbraw/zinc/57/11/32/803571132.db2.gz QPKNABSYNRUDJP-QWHCGFSZSA-N 1 0 325.409 2.127 20 5 EEBDRO O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169045568 803579131 /nfs/dbraw/zinc/57/91/31/803579131.db2.gz JLMWXFPRMRTXEI-WBVHZDCISA-N 1 0 331.416 2.280 20 5 EEBDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019228 803587843 /nfs/dbraw/zinc/58/78/43/803587843.db2.gz FVNLUQROZRUDTA-BMFZPTHFSA-N 1 0 335.448 2.203 20 5 EEBDRO O=C(Cc1ccccc1)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169047031 803592970 /nfs/dbraw/zinc/59/29/70/803592970.db2.gz QAELIGPWQJWEEH-ROUUACIJSA-N 1 0 345.443 2.209 20 5 EEBDRO CC(=O)Nc1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1[N+](=O)[O-] ZINC001169710252 803982201 /nfs/dbraw/zinc/98/22/01/803982201.db2.gz HERKNLDKJRLDSP-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109463706 805504749 /nfs/dbraw/zinc/50/47/49/805504749.db2.gz UHGPRMUPBBDFPZ-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000789802204 808203606 /nfs/dbraw/zinc/20/36/06/808203606.db2.gz WAHRIPRDXZEXAX-AWEZNQCLSA-N 1 0 336.392 2.050 20 5 EEBDRO CC(C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(=O)N1CCCC1 ZINC001170158428 809363289 /nfs/dbraw/zinc/36/32/89/809363289.db2.gz WYPSTDZRTBAFGX-INIZCTEOSA-N 1 0 332.404 2.257 20 5 EEBDRO Cc1c(C(=O)OCCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000791807943 809429258 /nfs/dbraw/zinc/42/92/58/809429258.db2.gz CSDODMUBGMHORT-UHFFFAOYSA-N 1 0 325.321 2.228 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC001170290631 809882720 /nfs/dbraw/zinc/88/27/20/809882720.db2.gz DXEHFRMYUAJPLC-ZDUSSCGKSA-N 1 0 335.404 2.137 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000793588356 810421748 /nfs/dbraw/zinc/42/17/48/810421748.db2.gz JABHUINSJOHABE-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000793942332 810615765 /nfs/dbraw/zinc/61/57/65/810615765.db2.gz YKTIKXFTHCSQIQ-OLZOCXBDSA-N 1 0 337.807 2.201 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001130920587 812202930 /nfs/dbraw/zinc/20/29/30/812202930.db2.gz XBXQQNQWLHTKLN-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO COC(=O)c1ccnc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001515987497 1118992675 /nfs/dbraw/zinc/99/26/75/1118992675.db2.gz HVOWUOOHPUQUKF-LBPRGKRZSA-N 1 0 348.403 2.230 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001521739902 1119274452 /nfs/dbraw/zinc/27/44/52/1119274452.db2.gz HTOSPHBEQMRLKI-JTQLQIEISA-N 1 0 341.458 2.142 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001522544086 1119417762 /nfs/dbraw/zinc/41/77/62/1119417762.db2.gz MJAANCKLXNEMEW-PWSUYJOCSA-N 1 0 346.412 2.304 20 5 EEBDRO CCC[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000054359165 214232391 /nfs/dbraw/zinc/23/23/91/214232391.db2.gz IVZZGYWWJBBOPO-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000174862012 529939476 /nfs/dbraw/zinc/93/94/76/529939476.db2.gz CQUWSHJHEPAXBR-UHFFFAOYSA-N 1 0 343.431 2.388 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000104186113 219356962 /nfs/dbraw/zinc/35/69/62/219356962.db2.gz RPZQHOTXQQKDBK-NSHDSACASA-N 1 0 346.412 2.400 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814043 234334095 /nfs/dbraw/zinc/33/40/95/234334095.db2.gz CDRGPSYXIOMNAK-UKRRQHHQSA-N 1 0 338.404 2.110 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069848613 215606777 /nfs/dbraw/zinc/60/67/77/215606777.db2.gz MIQZSAQWPUTIRC-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO COCC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131301229 223220881 /nfs/dbraw/zinc/22/08/81/223220881.db2.gz WNZCIIACBSRNMZ-UHFFFAOYSA-N 1 0 338.282 2.281 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1C ZINC000423604809 240541369 /nfs/dbraw/zinc/54/13/69/240541369.db2.gz HFKHZOKOGIRMDN-HNNXBMFYSA-N 1 0 335.404 2.420 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425049110 241106403 /nfs/dbraw/zinc/10/64/03/241106403.db2.gz DOWOYMACPNYGOB-XHDPSFHLSA-N 1 0 335.429 2.483 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000426874012 241352087 /nfs/dbraw/zinc/35/20/87/241352087.db2.gz FTRLTSFDLSHPSS-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000439140080 242065031 /nfs/dbraw/zinc/06/50/31/242065031.db2.gz YNGTXSFKWVJNPM-OAHLLOKOSA-N 1 0 328.372 2.409 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2cccs2)C2(CO)CCC2)n1 ZINC000452062282 243341174 /nfs/dbraw/zinc/34/11/74/243341174.db2.gz RPRDZHPUXAWSCM-CQSZACIVSA-N 1 0 336.417 2.346 20 5 EEBDRO COc1c(C(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000456679532 244325684 /nfs/dbraw/zinc/32/56/84/244325684.db2.gz BDDDNCJMAMDUKH-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262755676 245161881 /nfs/dbraw/zinc/16/18/81/245161881.db2.gz KHNUKVDGVPYXAC-UFBFGSQYSA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000078439278 217052463 /nfs/dbraw/zinc/05/24/63/217052463.db2.gz HDPLMZROVFVSBS-CQSZACIVSA-N 1 0 348.403 2.089 20 5 EEBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264599312 246679648 /nfs/dbraw/zinc/67/96/48/246679648.db2.gz NEZQAOIXAMJFAC-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000266451279 248307871 /nfs/dbraw/zinc/30/78/71/248307871.db2.gz AYMQSHDFCLVMKU-HOCLYGCPSA-N 1 0 332.404 2.063 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176951152 285079806 /nfs/dbraw/zinc/07/98/06/285079806.db2.gz WKAJMWJETGVUIA-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000352696526 285165846 /nfs/dbraw/zinc/16/58/46/285165846.db2.gz NSDBQDJEAKPJBX-UHFFFAOYSA-N 1 0 348.325 2.081 20 5 EEBDRO Cc1nn(CCC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000178262240 255902956 /nfs/dbraw/zinc/90/29/56/255902956.db2.gz MGKJVAWPAKGFJB-SNVBAGLBSA-N 1 0 331.376 2.457 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267996439 256103089 /nfs/dbraw/zinc/10/30/89/256103089.db2.gz RHHRXKDSGPVWFB-AWEZNQCLSA-N 1 0 349.387 2.428 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C2CCC2)CC1 ZINC000270421744 256134241 /nfs/dbraw/zinc/13/42/41/256134241.db2.gz LJONXGCHWMKTKD-UHFFFAOYSA-N 1 0 342.399 2.315 20 5 EEBDRO Cn1cncc1CS(=O)(=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000268162798 256120682 /nfs/dbraw/zinc/12/06/82/256120682.db2.gz HQGYTDQEYCLWLM-UHFFFAOYSA-N 1 0 329.765 2.097 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373438 256128665 /nfs/dbraw/zinc/12/86/65/256128665.db2.gz NHSUZTZFJGENMG-PIGZYNQJSA-N 1 0 342.399 2.218 20 5 EEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000270644564 256156230 /nfs/dbraw/zinc/15/62/30/256156230.db2.gz ADAIAKAHVWOTLG-LLVKDONJSA-N 1 0 341.433 2.013 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+](C)C ZINC000271178771 256216745 /nfs/dbraw/zinc/21/67/45/256216745.db2.gz UHLCOFHFXYMFRI-IUODEOHRSA-N 1 0 349.412 2.459 20 5 EEBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000270857312 256180213 /nfs/dbraw/zinc/18/02/13/256180213.db2.gz HSPVKFURXAHWBS-GYSYKLTISA-N 1 0 332.360 2.409 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271725246 256238027 /nfs/dbraw/zinc/23/80/27/256238027.db2.gz RBKVJSUDQHZRTC-HUUCEWRRSA-N 1 0 326.418 2.083 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000273187042 256274373 /nfs/dbraw/zinc/27/43/73/256274373.db2.gz ICJGNGGEWRMHBT-CQSZACIVSA-N 1 0 348.447 2.410 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119197268 221264308 /nfs/dbraw/zinc/26/43/08/221264308.db2.gz XLAZPBYFTFIVGA-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)CC1 ZINC000277050745 256492952 /nfs/dbraw/zinc/49/29/52/256492952.db2.gz CKFOBQBDGFXRCE-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000189565947 533520789 /nfs/dbraw/zinc/52/07/89/533520789.db2.gz JNLBCPVNNKUWAS-UKRRQHHQSA-N 1 0 347.415 2.468 20 5 EEBDRO C[N@H+](CCc1ccncc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000181480386 143845571 /nfs/dbraw/zinc/84/55/71/143845571.db2.gz XQIVPPTUGSZYSD-QGZVFWFLSA-N 1 0 340.383 2.270 20 5 EEBDRO COc1cc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)ccc1O ZINC000089973623 292215492 /nfs/dbraw/zinc/21/54/92/292215492.db2.gz CDPZOTUKIFCSKT-UHFFFAOYSA-N 1 0 332.360 2.170 20 5 EEBDRO Cc1ccccc1OCCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518872 292218871 /nfs/dbraw/zinc/21/88/71/292218871.db2.gz BLYSKQHQCMYCER-UHFFFAOYSA-N 1 0 345.399 2.466 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374306331 154042524 /nfs/dbraw/zinc/04/25/24/154042524.db2.gz DFTRNPGUTZMACY-MSOLQXFVSA-N 1 0 339.395 2.351 20 5 EEBDRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312059 154045167 /nfs/dbraw/zinc/04/51/67/154045167.db2.gz QLWAULYKNQNAOV-GDBMZVCRSA-N 1 0 348.447 2.066 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000275588612 160479773 /nfs/dbraw/zinc/47/97/73/160479773.db2.gz IUTBPLQZMSLLAR-IKGGRYGDSA-N 1 0 330.388 2.078 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107600642 159333291 /nfs/dbraw/zinc/33/32/91/159333291.db2.gz MNCLQUQLRXZATI-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO O=C(CC[NH+]1CCC(n2ccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000109794367 159352649 /nfs/dbraw/zinc/35/26/49/159352649.db2.gz SVESUEMMKWBLTJ-UHFFFAOYSA-N 1 0 343.387 2.457 20 5 EEBDRO CCOc1cccc(NCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000184131220 160000447 /nfs/dbraw/zinc/00/04/47/160000447.db2.gz PSWKJIWWZNOEAF-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185264604 160032553 /nfs/dbraw/zinc/03/25/53/160032553.db2.gz OASYTHPZAAEUMJ-UHFFFAOYSA-N 1 0 349.435 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247006745 160305544 /nfs/dbraw/zinc/30/55/44/160305544.db2.gz PWTOOYZTJQYGDL-WMLDXEAASA-N 1 0 346.431 2.258 20 5 EEBDRO CCc1cc(N[C@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343795847 161169017 /nfs/dbraw/zinc/16/90/17/161169017.db2.gz RRXPCIACEJMLAN-GFCCVEGCSA-N 1 0 329.404 2.398 20 5 EEBDRO CCC[C@@]1(CO)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344132124 161200877 /nfs/dbraw/zinc/20/08/77/161200877.db2.gz OVZALBRDIKRSSA-FUHWJXTLSA-N 1 0 347.415 2.185 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474670 161231540 /nfs/dbraw/zinc/23/15/40/161231540.db2.gz XPMCCNQELKKVOY-MSQAHXEGSA-N 1 0 347.415 2.349 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000346398752 161369465 /nfs/dbraw/zinc/36/94/65/161369465.db2.gz ZSCCDJYVOJSSKG-UHFFFAOYSA-N 1 0 346.322 2.246 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CNC(C)(C)c1nc2ccccc2n1C ZINC000352023232 162033139 /nfs/dbraw/zinc/03/31/39/162033139.db2.gz VOQUKGJKBRUMEY-UHFFFAOYSA-N 1 0 328.376 2.240 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359629767 164141218 /nfs/dbraw/zinc/14/12/18/164141218.db2.gz DBWWDHWPMCZUDX-OAHLLOKOSA-N 1 0 335.404 2.483 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000359798909 164174161 /nfs/dbraw/zinc/17/41/61/164174161.db2.gz ITELQSQPBACNFP-NSHDSACASA-N 1 0 347.371 2.430 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360227567 164262957 /nfs/dbraw/zinc/26/29/57/164262957.db2.gz LQGXVXUKHILFOE-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365206237 165409071 /nfs/dbraw/zinc/40/90/71/165409071.db2.gz WUAIETDAOJBZQK-YOEHRIQHSA-N 1 0 333.388 2.389 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374004081 167001925 /nfs/dbraw/zinc/00/19/25/167001925.db2.gz UXXDMOZFQPBCFB-DZGCQCFKSA-N 1 0 332.356 2.417 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376407558 167319932 /nfs/dbraw/zinc/31/99/32/167319932.db2.gz MQFLUGTZCIVDBY-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000347358682 287360342 /nfs/dbraw/zinc/36/03/42/287360342.db2.gz LIXKJXNQKAIJRB-UKRRQHHQSA-N 1 0 346.431 2.394 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270083912 268786077 /nfs/dbraw/zinc/78/60/77/268786077.db2.gz IZVMFCBYTGLVDB-OAHLLOKOSA-N 1 0 347.415 2.407 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272402030 268968818 /nfs/dbraw/zinc/96/88/18/268968818.db2.gz AUEMQRPDMQZUDI-UHFFFAOYSA-N 1 0 329.347 2.391 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000272762202 269016244 /nfs/dbraw/zinc/01/62/44/269016244.db2.gz VTSBUAGJCAEUKZ-UHFFFAOYSA-N 1 0 333.392 2.472 20 5 EEBDRO CCC[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000042295455 273614448 /nfs/dbraw/zinc/61/44/48/273614448.db2.gz ZDYTVBXEUVQIGK-UHFFFAOYSA-N 1 0 329.198 2.284 20 5 EEBDRO COc1cc(C[NH2+]C2(CO)CCSCC2)c([N+](=O)[O-])cc1F ZINC000459687851 274094035 /nfs/dbraw/zinc/09/40/35/274094035.db2.gz BVZIJAIRODFIFI-UHFFFAOYSA-N 1 0 330.381 2.090 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271787483 274152211 /nfs/dbraw/zinc/15/22/11/274152211.db2.gz KXKJEYMNKUBFFM-VXGBXAGGSA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000272093631 274165482 /nfs/dbraw/zinc/16/54/82/274165482.db2.gz YKUDXTLLWRSSAV-WBVHZDCISA-N 1 0 330.388 2.202 20 5 EEBDRO COCCOCCOCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274403739 274193100 /nfs/dbraw/zinc/19/31/00/274193100.db2.gz NGQOKMNTCQFSLD-UHFFFAOYSA-N 1 0 346.811 2.408 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277339624 274285306 /nfs/dbraw/zinc/28/53/06/274285306.db2.gz SJCXXUYJPKHQKR-CYBMUJFWSA-N 1 0 334.420 2.217 20 5 EEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000278599253 274380791 /nfs/dbraw/zinc/38/07/91/274380791.db2.gz VCLOFYOIQFIBHD-UHFFFAOYSA-N 1 0 348.359 2.107 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987406 274824707 /nfs/dbraw/zinc/82/47/07/274824707.db2.gz XNLAIQWMXQJWAD-WCQYABFASA-N 1 0 347.371 2.022 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286494797 274877846 /nfs/dbraw/zinc/87/78/46/274877846.db2.gz RQKZXPRTOTYGAJ-GXTWGEPZSA-N 1 0 348.403 2.230 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952475 274921279 /nfs/dbraw/zinc/92/12/79/274921279.db2.gz FOZRXAVCPUHJFR-IAQYHMDHSA-N 1 0 348.359 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288395913 275054023 /nfs/dbraw/zinc/05/40/23/275054023.db2.gz MQLUUEPCGFPNBQ-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO O=C(CN1CCC[C@H](C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289506094 275122686 /nfs/dbraw/zinc/12/26/86/275122686.db2.gz UQXDLUIGLXIQFT-LBPRGKRZSA-N 1 0 347.371 2.384 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000289581673 275129696 /nfs/dbraw/zinc/12/96/96/275129696.db2.gz QGZYJTGFJIHLQS-CYBMUJFWSA-N 1 0 343.449 2.135 20 5 EEBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])oc1C ZINC000289938612 275163413 /nfs/dbraw/zinc/16/34/13/275163413.db2.gz XAPSOBBHNFHMBQ-UHFFFAOYSA-N 1 0 333.344 2.248 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000290107354 275180292 /nfs/dbraw/zinc/18/02/92/275180292.db2.gz YAUJVOBMDHSFKH-INIZCTEOSA-N 1 0 348.359 2.027 20 5 EEBDRO COCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000291390752 275300839 /nfs/dbraw/zinc/30/08/39/275300839.db2.gz GLELDMLCUKAZBO-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270810 275404496 /nfs/dbraw/zinc/40/44/96/275404496.db2.gz SDROUOFKQPWSAV-GUYCJALGSA-N 1 0 343.383 2.221 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000124024393 276075995 /nfs/dbraw/zinc/07/59/95/276075995.db2.gz BVZRYTKGXQSWLD-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352203503 276135378 /nfs/dbraw/zinc/13/53/78/276135378.db2.gz SGMIVMSDLNGPAZ-NXEZZACHSA-N 1 0 329.784 2.278 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCO1 ZINC000423576988 276527935 /nfs/dbraw/zinc/52/79/35/276527935.db2.gz RQZMKKUZSSQARS-STQMWFEESA-N 1 0 325.434 2.044 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000375070967 277029468 /nfs/dbraw/zinc/02/94/68/277029468.db2.gz KQWVVYGSFOPEDX-QWRGUYRKSA-N 1 0 327.381 2.089 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183578786 278195794 /nfs/dbraw/zinc/19/57/94/278195794.db2.gz SPOFFBHUIBRCAW-FRRDWIJNSA-N 1 0 335.408 2.478 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429246437 278343802 /nfs/dbraw/zinc/34/38/02/278343802.db2.gz RLANLSNNSDLULK-KBPBESRZSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367059732 281260383 /nfs/dbraw/zinc/26/03/83/281260383.db2.gz JZCVHHKCHVHGRH-HOTGVXAUSA-N 1 0 332.448 2.365 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000355000204 281360612 /nfs/dbraw/zinc/36/06/12/281360612.db2.gz MZQWYTYASMEZJT-IAQYHMDHSA-N 1 0 331.376 2.048 20 5 EEBDRO CNC(=O)NC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000414539453 290500753 /nfs/dbraw/zinc/50/07/53/290500753.db2.gz DRMGKCWFFSPSHQ-RAXLEYEMSA-N 1 0 332.404 2.392 20 5 EEBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000293388301 293195928 /nfs/dbraw/zinc/19/59/28/293195928.db2.gz WTPOTXNARXMGCS-UHFFFAOYSA-N 1 0 339.392 2.337 20 5 EEBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)[N@H+]1C ZINC000293482901 293220285 /nfs/dbraw/zinc/22/02/85/293220285.db2.gz SBVWTDKJYBYNMA-TXEJJXNPSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295211654 293647901 /nfs/dbraw/zinc/64/79/01/293647901.db2.gz LQQGWTFLSCSMHX-MRVPVSSYSA-N 1 0 330.182 2.215 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000296654712 294031510 /nfs/dbraw/zinc/03/15/10/294031510.db2.gz XROBNKOUNBSBOT-UHFFFAOYSA-N 1 0 347.415 2.375 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000297943065 294378873 /nfs/dbraw/zinc/37/88/73/294378873.db2.gz SCAXDENRAGRHMY-NWDGAFQWSA-N 1 0 337.376 2.041 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160528640 311355148 /nfs/dbraw/zinc/35/51/48/311355148.db2.gz YFRDAMMWSMQYPH-IOASZLSFSA-N 1 0 335.404 2.453 20 5 EEBDRO COC(=O)c1cnc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000302782620 311549977 /nfs/dbraw/zinc/54/99/77/311549977.db2.gz STGIOAGBDNVEEW-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332243677 311975767 /nfs/dbraw/zinc/97/57/67/311975767.db2.gz AXAHQJNHEOIIBN-NSHDSACASA-N 1 0 341.358 2.358 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332398734 312000955 /nfs/dbraw/zinc/00/09/55/312000955.db2.gz RBTWGQMIXOUXTK-YOEHRIQHSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332488973 312015040 /nfs/dbraw/zinc/01/50/40/312015040.db2.gz ODHCXERDXVXJES-GOEBONIOSA-N 1 0 346.431 2.400 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413204288 312820430 /nfs/dbraw/zinc/82/04/30/312820430.db2.gz XPUVJZXUUVWBDM-NSHDSACASA-N 1 0 348.325 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)o2)cc1 ZINC000414550590 313039312 /nfs/dbraw/zinc/03/93/12/313039312.db2.gz ACNRHMCWAKAQQS-CZUORRHYSA-N 1 0 332.356 2.030 20 5 EEBDRO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000418341222 313787578 /nfs/dbraw/zinc/78/75/78/313787578.db2.gz LYEWGYBDOLYAHM-DZGCQCFKSA-N 1 0 334.420 2.167 20 5 EEBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000421009669 314023955 /nfs/dbraw/zinc/02/39/55/314023955.db2.gz CDIXRWYFQIOEFV-IRXDYDNUSA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000422638728 314297474 /nfs/dbraw/zinc/29/74/74/314297474.db2.gz RGKCMADODZUYBY-MBNYWOFBSA-N 1 0 345.403 2.450 20 5 EEBDRO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000425274349 314370585 /nfs/dbraw/zinc/37/05/85/314370585.db2.gz LKFJZLLAAHZWAL-DOTOQJQBSA-N 1 0 339.399 2.404 20 5 EEBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430602469 314556833 /nfs/dbraw/zinc/55/68/33/314556833.db2.gz LFHQCVOXBYEFTQ-UONOGXRCSA-N 1 0 334.420 2.162 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N(C)C)CCC1 ZINC000437078704 315024938 /nfs/dbraw/zinc/02/49/38/315024938.db2.gz OAXANYZMNVNHJT-ZDUSSCGKSA-N 1 0 334.420 2.386 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000444267714 315286784 /nfs/dbraw/zinc/28/67/84/315286784.db2.gz QFARVEPCOZABEI-CQSZACIVSA-N 1 0 332.404 2.067 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449202288 315431583 /nfs/dbraw/zinc/43/15/83/315431583.db2.gz JUQXDHWVCUBYCB-ZIAGYGMSSA-N 1 0 333.388 2.065 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000451847662 315455985 /nfs/dbraw/zinc/45/59/85/315455985.db2.gz STGWMIHKIRUFGG-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCC(C)CC1 ZINC000515201822 316470104 /nfs/dbraw/zinc/47/01/04/316470104.db2.gz AKNVIWWBFJTQHP-MRXNPFEDSA-N 1 0 336.436 2.420 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000516379043 316555625 /nfs/dbraw/zinc/55/56/25/316555625.db2.gz SPWQOSDXEGMMAA-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000536478861 317996797 /nfs/dbraw/zinc/99/67/97/317996797.db2.gz XGQHWAYTLCYCNL-GFCCVEGCSA-N 1 0 328.372 2.386 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000542882275 318146487 /nfs/dbraw/zinc/14/64/87/318146487.db2.gz WLPXXGRVLHYAPB-CYBMUJFWSA-N 1 0 344.293 2.133 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000572149609 319819952 /nfs/dbraw/zinc/81/99/52/319819952.db2.gz LWEIWERICMWSDT-CZUORRHYSA-N 1 0 330.388 2.164 20 5 EEBDRO Cc1ncc2n1C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000575187186 320094264 /nfs/dbraw/zinc/09/42/64/320094264.db2.gz HQBJOTFGYLGISS-OAHLLOKOSA-N 1 0 342.399 2.363 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CC[C@@H](CC3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000575476546 320106361 /nfs/dbraw/zinc/10/63/61/320106361.db2.gz LNRIGDXQUKVTEZ-XJKSGUPXSA-N 1 0 343.383 2.349 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578040666 320290976 /nfs/dbraw/zinc/29/09/76/320290976.db2.gz HIUDCTIEGKHFRS-ZDUSSCGKSA-N 1 0 330.388 2.171 20 5 EEBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000181920673 323359640 /nfs/dbraw/zinc/35/96/40/323359640.db2.gz HSXHMRFKTBZMLG-ZDUSSCGKSA-N 1 0 341.795 2.008 20 5 EEBDRO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000580194582 324013492 /nfs/dbraw/zinc/01/34/92/324013492.db2.gz VFTFYZREMGOCCE-NXEZZACHSA-N 1 0 347.362 2.463 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ncccc12 ZINC000325775403 465029979 /nfs/dbraw/zinc/02/99/79/465029979.db2.gz DDGBFLXLIFWIAZ-STQMWFEESA-N 1 0 328.372 2.418 20 5 EEBDRO Cc1c(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000326338950 465037389 /nfs/dbraw/zinc/03/73/89/465037389.db2.gz AHPFCKOAJUFZMQ-MRXNPFEDSA-N 1 0 325.368 2.406 20 5 EEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+](C2CC2)C1 ZINC000296166966 465101107 /nfs/dbraw/zinc/10/11/07/465101107.db2.gz WYJHIYVCCZVZFI-ZDUSSCGKSA-N 1 0 347.415 2.377 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)cc1[N+](=O)[O-] ZINC000347627816 465132796 /nfs/dbraw/zinc/13/27/96/465132796.db2.gz HHPOPLQQYZESTR-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3ccccc3CO)CC2)c1 ZINC000347646129 465146369 /nfs/dbraw/zinc/14/63/69/465146369.db2.gz NPGDSVKDWNOLOM-UHFFFAOYSA-N 1 0 344.415 2.238 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCc1ccncc1 ZINC000354873885 465205827 /nfs/dbraw/zinc/20/58/27/465205827.db2.gz AYJSUEQBEURYSQ-UHFFFAOYSA-N 1 0 328.372 2.411 20 5 EEBDRO CCOCC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000339371081 465227969 /nfs/dbraw/zinc/22/79/69/465227969.db2.gz HNSUEXKXSHKTPE-UHFFFAOYSA-N 1 0 337.376 2.298 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358704546 465274639 /nfs/dbraw/zinc/27/46/39/465274639.db2.gz PRGPLHZYAPMFNL-UPJWGTAASA-N 1 0 348.403 2.173 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000590569626 468275489 /nfs/dbraw/zinc/27/54/89/468275489.db2.gz PGRHJNXVPPUXOY-LDYMZIIASA-N 1 0 329.198 2.281 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342928461 465394089 /nfs/dbraw/zinc/39/40/89/465394089.db2.gz BSTGGBBSICGRQD-HNNXBMFYSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000085455789 462547693 /nfs/dbraw/zinc/54/76/93/462547693.db2.gz AEAXLMQJKUWNQU-VXGBXAGGSA-N 1 0 341.433 2.276 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074096860 462554685 /nfs/dbraw/zinc/55/46/85/462554685.db2.gz FEVISQBOKNXFES-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000127822517 462586538 /nfs/dbraw/zinc/58/65/38/462586538.db2.gz BWZNLCFFQGHRCR-QGZVFWFLSA-N 1 0 329.400 2.354 20 5 EEBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114460261 462649441 /nfs/dbraw/zinc/64/94/41/462649441.db2.gz XZKHURBPKTUUCO-HOTGVXAUSA-N 1 0 335.404 2.183 20 5 EEBDRO CC(C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000153558429 462664012 /nfs/dbraw/zinc/66/40/12/462664012.db2.gz JQUOWOGNCKLKSP-ZDUSSCGKSA-N 1 0 328.800 2.412 20 5 EEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000064334450 462695605 /nfs/dbraw/zinc/69/56/05/462695605.db2.gz NQCSUQSREXWYLS-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC(C)[N@H+](CCC(=O)N1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350830 462696714 /nfs/dbraw/zinc/69/67/14/462696714.db2.gz QDFMGJALAWBVFN-UHFFFAOYSA-N 1 0 335.404 2.054 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000046953363 462725815 /nfs/dbraw/zinc/72/58/15/462725815.db2.gz POOOCLLIJUDFIT-KBPBESRZSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000154159948 462736325 /nfs/dbraw/zinc/73/63/25/462736325.db2.gz GDQJMBQMLHENKR-CABCVRRESA-N 1 0 349.434 2.493 20 5 EEBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010085471 462812583 /nfs/dbraw/zinc/81/25/83/462812583.db2.gz FGAZKYVYYZSLIZ-OAHLLOKOSA-N 1 0 340.383 2.181 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000090882256 462814505 /nfs/dbraw/zinc/81/45/05/462814505.db2.gz GVABURRGNSFDEY-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000066372726 462881346 /nfs/dbraw/zinc/88/13/46/462881346.db2.gz ILEHABBGWPVYKC-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000091482700 462883879 /nfs/dbraw/zinc/88/38/79/462883879.db2.gz UEHOGBOLVOKDOE-LBPRGKRZSA-N 1 0 332.404 2.241 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155937388 462961695 /nfs/dbraw/zinc/96/16/95/462961695.db2.gz YMGYWBKQWAFRBV-ZDUSSCGKSA-N 1 0 344.209 2.461 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000155985500 462966222 /nfs/dbraw/zinc/96/62/22/462966222.db2.gz NVGPBYFYUUAAHZ-ZDUSSCGKSA-N 1 0 349.435 2.435 20 5 EEBDRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000049969842 462980612 /nfs/dbraw/zinc/98/06/12/462980612.db2.gz AIMQNDBLVYSWRH-CQSZACIVSA-N 1 0 334.420 2.195 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000156142587 462985560 /nfs/dbraw/zinc/98/55/60/462985560.db2.gz KJIFOHPLCXGJRA-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000521757791 468330418 /nfs/dbraw/zinc/33/04/18/468330418.db2.gz WJPZOAQSYHIWPY-LBPRGKRZSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000156217072 462993892 /nfs/dbraw/zinc/99/38/92/462993892.db2.gz DERDALQDRIVQBS-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000134906948 463094565 /nfs/dbraw/zinc/09/45/65/463094565.db2.gz LXLLHRWIDGYLBR-UHFFFAOYSA-N 1 0 346.431 2.217 20 5 EEBDRO Cc1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000078629669 463136041 /nfs/dbraw/zinc/13/60/41/463136041.db2.gz AJSLCITZGFWWBJ-MRXNPFEDSA-N 1 0 342.399 2.129 20 5 EEBDRO COc1cccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000026712066 463168849 /nfs/dbraw/zinc/16/88/49/463168849.db2.gz TWAULZNWDPSHAW-INIZCTEOSA-N 1 0 346.383 2.475 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000136572586 463246414 /nfs/dbraw/zinc/24/64/14/463246414.db2.gz PBQJLZGIDHWHLI-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO CNC(=O)c1ccc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981124 463273721 /nfs/dbraw/zinc/27/37/21/463273721.db2.gz RYLPUHVSRNHMDA-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO CSCC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138210371 463305261 /nfs/dbraw/zinc/30/52/61/463305261.db2.gz RCNUSBVRXWZTDQ-UHFFFAOYSA-N 1 0 325.390 2.188 20 5 EEBDRO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000159827481 463306285 /nfs/dbraw/zinc/30/62/85/463306285.db2.gz QUHMQEOACWWQBV-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000160411468 463335664 /nfs/dbraw/zinc/33/56/64/463335664.db2.gz DWOMOERCOVWOKN-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000160801812 463372901 /nfs/dbraw/zinc/37/29/01/463372901.db2.gz SDAHPMVQGWXVFQ-UWVGGRQHSA-N 1 0 327.331 2.476 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000081335609 463422088 /nfs/dbraw/zinc/42/20/88/463422088.db2.gz IUSUTFYFRRETLF-HNNXBMFYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768263 463423810 /nfs/dbraw/zinc/42/38/10/463423810.db2.gz XLCWKACFOGDYTN-OAHLLOKOSA-N 1 0 346.431 2.259 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000105492940 463454276 /nfs/dbraw/zinc/45/42/76/463454276.db2.gz QSGUNULUMLBUMY-AWEZNQCLSA-N 1 0 332.356 2.002 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164174681 463616904 /nfs/dbraw/zinc/61/69/04/463616904.db2.gz BLVCZGCBHZUDFQ-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000109806987 463651334 /nfs/dbraw/zinc/65/13/34/463651334.db2.gz GVLJZWFXETUBGX-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H]([NH+]4CCCC4)C3)cc2N1 ZINC000170710250 463698699 /nfs/dbraw/zinc/69/86/99/463698699.db2.gz GPCUSRIMTIESQQ-CYBMUJFWSA-N 1 0 330.388 2.154 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000268331381 463708018 /nfs/dbraw/zinc/70/80/18/463708018.db2.gz PYAHZWXXVSMFIU-UHFFFAOYSA-N 1 0 339.346 2.175 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185135286 463759870 /nfs/dbraw/zinc/75/98/70/463759870.db2.gz LOAYGBWRSSPFOK-AZHAFVHUSA-N 1 0 335.429 2.271 20 5 EEBDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872871 463792717 /nfs/dbraw/zinc/79/27/17/463792717.db2.gz UXFCQHPAEAYNEW-PBHICJAKSA-N 1 0 348.447 2.188 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261669237 463822411 /nfs/dbraw/zinc/82/24/11/463822411.db2.gz LNKCOFWBWXSICC-QGZVFWFLSA-N 1 0 325.368 2.141 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287217261 463837922 /nfs/dbraw/zinc/83/79/22/463837922.db2.gz QBKZUXMZLRUPOT-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000269005792 463843119 /nfs/dbraw/zinc/84/31/19/463843119.db2.gz LDIHIEDWPBTKTG-IHRRRGAJSA-N 1 0 335.404 2.453 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269099544 463874542 /nfs/dbraw/zinc/87/45/42/463874542.db2.gz QNUPXJZSYJPIDW-HZPDHXFCSA-N 1 0 342.399 2.285 20 5 EEBDRO Cc1nn(CCC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000269221924 463915041 /nfs/dbraw/zinc/91/50/41/463915041.db2.gz RYXOFROUBYTVKC-UHFFFAOYSA-N 1 0 343.387 2.083 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000194794341 463930186 /nfs/dbraw/zinc/93/01/86/463930186.db2.gz NCMVNFOWVQALQI-CQSZACIVSA-N 1 0 349.431 2.068 20 5 EEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262200164 463971560 /nfs/dbraw/zinc/97/15/60/463971560.db2.gz KJJROWYVKATFNB-CABCVRRESA-N 1 0 346.431 2.151 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000172029325 463973354 /nfs/dbraw/zinc/97/33/54/463973354.db2.gz GWGZMTQXTYWMFX-CQSZACIVSA-N 1 0 346.431 2.219 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000262232421 463978688 /nfs/dbraw/zinc/97/86/88/463978688.db2.gz OBADAOLMRCJOAC-HNNXBMFYSA-N 1 0 341.367 2.220 20 5 EEBDRO C[C@@H](Nc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262479637 464030580 /nfs/dbraw/zinc/03/05/80/464030580.db2.gz RKQDGJGNLGTAOQ-GFCCVEGCSA-N 1 0 343.387 2.242 20 5 EEBDRO CCOC(=O)CCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172619027 464119242 /nfs/dbraw/zinc/11/92/42/464119242.db2.gz DRWHODKVJMPINX-UHFFFAOYSA-N 1 0 335.404 2.450 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270043505 464167737 /nfs/dbraw/zinc/16/77/37/464167737.db2.gz DNUNCMLRGLSIJH-HEHGZKQESA-N 1 0 335.404 2.323 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236791542 464226007 /nfs/dbraw/zinc/22/60/07/464226007.db2.gz VPODEJCIMIRWPZ-HNNXBMFYSA-N 1 0 345.403 2.226 20 5 EEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180563733 464337097 /nfs/dbraw/zinc/33/70/97/464337097.db2.gz OCGNSVMPPDDPQD-GFCCVEGCSA-N 1 0 349.435 2.202 20 5 EEBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264506638 464353156 /nfs/dbraw/zinc/35/31/56/464353156.db2.gz LADKIWHMKAUDAJ-LBPRGKRZSA-N 1 0 336.367 2.017 20 5 EEBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C)C[NH2+]1 ZINC000237751390 464374113 /nfs/dbraw/zinc/37/41/13/464374113.db2.gz CLLNDOTZNHGVGO-GJZGRUSLSA-N 1 0 349.434 2.364 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000180818851 464402414 /nfs/dbraw/zinc/40/24/14/464402414.db2.gz ZLMYRGYJLVSJPD-ZDUSSCGKSA-N 1 0 332.404 2.125 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000174739070 464445123 /nfs/dbraw/zinc/44/51/23/464445123.db2.gz NSRMAGVOWFHSRT-WMZOPIPTSA-N 1 0 344.415 2.249 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189204076 464455605 /nfs/dbraw/zinc/45/56/05/464455605.db2.gz BSDKGYHMKMUMSV-MRXNPFEDSA-N 1 0 333.388 2.085 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237479 464461275 /nfs/dbraw/zinc/46/12/75/464461275.db2.gz KJSDXJWBLNGZJW-SWLSCSKDSA-N 1 0 344.415 2.266 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccncc1 ZINC000181460766 464493217 /nfs/dbraw/zinc/49/32/17/464493217.db2.gz GLFHLNWLZXBEDH-UHFFFAOYSA-N 1 0 328.372 2.493 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)cc1[N+](=O)[O-] ZINC000568901978 468404710 /nfs/dbraw/zinc/40/47/10/468404710.db2.gz PWUAGOHDPDPGGI-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000175266936 464515557 /nfs/dbraw/zinc/51/55/57/464515557.db2.gz WESXZPPZGIJNTO-OAHLLOKOSA-N 1 0 349.431 2.148 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272226269 464526049 /nfs/dbraw/zinc/52/60/49/464526049.db2.gz CWXXDBQLIIYURN-FZMZJTMJSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000272232584 464529119 /nfs/dbraw/zinc/52/91/19/464529119.db2.gz JWPIWJYPHXDFEX-GJZGRUSLSA-N 1 0 349.434 2.350 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000175399748 464539994 /nfs/dbraw/zinc/53/99/94/464539994.db2.gz BLVQTQFETTYMQC-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO COc1cc(C[NH2+][C@@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381327 464585816 /nfs/dbraw/zinc/58/58/16/464585816.db2.gz HQRZLIBRQKQOIM-JTQLQIEISA-N 1 0 348.346 2.498 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000281931052 464639273 /nfs/dbraw/zinc/63/92/73/464639273.db2.gz AYZNIYNNUXSREX-YDHLFZDLSA-N 1 0 337.395 2.370 20 5 EEBDRO CCOCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272585921 464669458 /nfs/dbraw/zinc/66/94/58/464669458.db2.gz HGHMAZLXOUGHOA-UHFFFAOYSA-N 1 0 334.319 2.373 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000282081332 464692726 /nfs/dbraw/zinc/69/27/26/464692726.db2.gz XQEOYCABMWBULE-CQSZACIVSA-N 1 0 346.387 2.472 20 5 EEBDRO CC(C)OCCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265874387 464717930 /nfs/dbraw/zinc/71/79/30/464717930.db2.gz NBZKWXJOUCZYDP-HNNXBMFYSA-N 1 0 326.393 2.081 20 5 EEBDRO Cc1cnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000266181141 464767866 /nfs/dbraw/zinc/76/78/66/464767866.db2.gz CDCARAQRBGABLW-HZPDHXFCSA-N 1 0 347.463 2.293 20 5 EEBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000599962251 468424378 /nfs/dbraw/zinc/42/43/78/468424378.db2.gz NMQWYPUSXJUEGE-SECBINFHSA-N 1 0 344.209 2.285 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1C ZINC000183421699 464862906 /nfs/dbraw/zinc/86/29/06/464862906.db2.gz BPUWUBXWEKWLFS-BZNIZROVSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295593349 464895101 /nfs/dbraw/zinc/89/51/01/464895101.db2.gz WTYVBQBREQVPLV-SWLSCSKDSA-N 1 0 335.404 2.405 20 5 EEBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183761741 464907777 /nfs/dbraw/zinc/90/77/77/464907777.db2.gz HETAEXJVLAOYBC-QGZVFWFLSA-N 1 0 343.431 2.388 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000253356124 464992179 /nfs/dbraw/zinc/99/21/79/464992179.db2.gz WRROFCOQLWECTK-JMSVASOKSA-N 1 0 331.372 2.205 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000593909682 468429840 /nfs/dbraw/zinc/42/98/40/468429840.db2.gz KHCSKXIJMFTECJ-AWEZNQCLSA-N 1 0 334.420 2.211 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000593913179 468430556 /nfs/dbraw/zinc/43/05/56/468430556.db2.gz RYTQFZUTMQDYDT-UHTWSYAYSA-N 1 0 339.417 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnnn1CC[NH+](C)C ZINC000351829178 465386811 /nfs/dbraw/zinc/38/68/11/465386811.db2.gz LYTSMXQLJBHENZ-LLVKDONJSA-N 1 0 336.421 2.305 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932791 465397457 /nfs/dbraw/zinc/39/74/57/465397457.db2.gz GUYXHVDVHOHSNR-SMDDNHRTSA-N 1 0 330.388 2.488 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934789 465399429 /nfs/dbraw/zinc/39/94/29/465399429.db2.gz OAGIZOWNWPYDAU-IINYFYTJSA-N 1 0 328.372 2.289 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343477494 465518687 /nfs/dbraw/zinc/51/86/87/465518687.db2.gz CRHLFZIMMVWNQW-HIFRSBDPSA-N 1 0 346.431 2.408 20 5 EEBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298889152 465533227 /nfs/dbraw/zinc/53/32/27/465533227.db2.gz UTNNPNXASCDLQM-HNNXBMFYSA-N 1 0 328.372 2.490 20 5 EEBDRO Cc1cnccc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579947353 468439422 /nfs/dbraw/zinc/43/94/22/468439422.db2.gz HQMDEGQCUWSYJG-HNNXBMFYSA-N 1 0 327.388 2.422 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000299437984 465749674 /nfs/dbraw/zinc/74/96/74/465749674.db2.gz RZSIRQAEUGDCKY-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C[C@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000340103464 465768875 /nfs/dbraw/zinc/76/88/75/465768875.db2.gz IEYIQUHSNLVLNS-KGLIPLIRSA-N 1 0 334.420 2.339 20 5 EEBDRO CNc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179105 465819129 /nfs/dbraw/zinc/81/91/29/465819129.db2.gz OVBJKPHKOLXNSS-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000338144392 465848033 /nfs/dbraw/zinc/84/80/33/465848033.db2.gz UPGGMUSSQIMNIC-OAHLLOKOSA-N 1 0 337.445 2.033 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261438 465869655 /nfs/dbraw/zinc/86/96/55/465869655.db2.gz DNCUFUKPYDSGLH-WBMJQRKESA-N 1 0 329.404 2.387 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000331039729 465908170 /nfs/dbraw/zinc/90/81/70/465908170.db2.gz POMMGWMRKARFOE-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000346169433 465957320 /nfs/dbraw/zinc/95/73/20/465957320.db2.gz UYSUGZNIBLJQLL-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357375222 465986793 /nfs/dbraw/zinc/98/67/93/465986793.db2.gz NFWJEWZZRGLAKU-LLVKDONJSA-N 1 0 344.371 2.192 20 5 EEBDRO CCOc1cc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000301566639 465987611 /nfs/dbraw/zinc/98/76/11/465987611.db2.gz ZHPAARGFLMDNEI-INIZCTEOSA-N 1 0 348.447 2.210 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301760589 466027456 /nfs/dbraw/zinc/02/74/56/466027456.db2.gz BFQIHEWJZJKZCV-GFCCVEGCSA-N 1 0 329.347 2.378 20 5 EEBDRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000331396872 466064279 /nfs/dbraw/zinc/06/42/79/466064279.db2.gz KWHBGSOVDSLNRK-UHFFFAOYSA-N 1 0 349.435 2.050 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc4ccccn34)C2)nc1 ZINC000353738700 466107486 /nfs/dbraw/zinc/10/74/86/466107486.db2.gz LDPXVYYKDMAYRS-CYBMUJFWSA-N 1 0 338.371 2.324 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C(C)C)cc1OC ZINC000338438625 466129068 /nfs/dbraw/zinc/12/90/68/466129068.db2.gz VVTKNQRSOGJCOU-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000340506293 466137693 /nfs/dbraw/zinc/13/76/93/466137693.db2.gz JNAHEVXNNDMYLM-MGPQQGTHSA-N 1 0 334.420 2.411 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000303039694 466218962 /nfs/dbraw/zinc/21/89/62/466218962.db2.gz RYQGZQYSQOJDQB-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1C ZINC000349805320 466249675 /nfs/dbraw/zinc/24/96/75/466249675.db2.gz XCVQGJAASNTQCR-CYBMUJFWSA-N 1 0 343.449 2.219 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000357861584 466269997 /nfs/dbraw/zinc/26/99/97/466269997.db2.gz IQCHKWKBDRSLBD-DOMZBBRYSA-N 1 0 345.403 2.058 20 5 EEBDRO CCOc1cc(N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000340700684 466276535 /nfs/dbraw/zinc/27/65/35/466276535.db2.gz QAEWEMMTTVYDKW-SFHVURJKSA-N 1 0 348.447 2.115 20 5 EEBDRO Cc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000304340420 466286299 /nfs/dbraw/zinc/28/62/99/466286299.db2.gz PLHGYLNKHSRSJA-CQSZACIVSA-N 1 0 338.433 2.433 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000349962585 466329381 /nfs/dbraw/zinc/32/93/81/466329381.db2.gz NUVVTQVHXDGOBY-QMMMGPOBSA-N 1 0 335.282 2.003 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000332026899 466352548 /nfs/dbraw/zinc/35/25/48/466352548.db2.gz RXJZISIGOLOJJA-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332107973 466392358 /nfs/dbraw/zinc/39/23/58/466392358.db2.gz FIOADDGUEPOQMB-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332127622 466400930 /nfs/dbraw/zinc/40/09/30/466400930.db2.gz NISNSEMRZLKHNU-GJZGRUSLSA-N 1 0 347.415 2.168 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358126707 466479427 /nfs/dbraw/zinc/47/94/27/466479427.db2.gz BJEZIBCMAVLNTH-CYBMUJFWSA-N 1 0 334.420 2.391 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000338955840 466521068 /nfs/dbraw/zinc/52/10/68/466521068.db2.gz XZWHBIYDBONKKC-NSHDSACASA-N 1 0 345.355 2.184 20 5 EEBDRO C[C@@H](C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO)c1ccccc1 ZINC000347367233 466593941 /nfs/dbraw/zinc/59/39/41/466593941.db2.gz MKDPDPIHUMXIJF-GJZGRUSLSA-N 1 0 332.404 2.278 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320705227 466612417 /nfs/dbraw/zinc/61/24/17/466612417.db2.gz YVQPLWGKBSVURY-CYBMUJFWSA-N 1 0 331.294 2.095 20 5 EEBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000591681235 468502062 /nfs/dbraw/zinc/50/20/62/468502062.db2.gz ZWSBUWLVGDFDKH-OAHLLOKOSA-N 1 0 343.383 2.271 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591685936 468503030 /nfs/dbraw/zinc/50/30/30/468503030.db2.gz BGNYOAIOZQCLHV-UWVGGRQHSA-N 1 0 347.799 2.157 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415491810 466687538 /nfs/dbraw/zinc/68/75/38/466687538.db2.gz BNCVTBDJPGPQEK-ZDUSSCGKSA-N 1 0 348.403 2.457 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000374727104 466726558 /nfs/dbraw/zinc/72/65/58/466726558.db2.gz AXOFZXZOMZGKJG-AWEZNQCLSA-N 1 0 326.360 2.088 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423598123 466780619 /nfs/dbraw/zinc/78/06/19/466780619.db2.gz VTJBSVONSVEDJR-KOLCDFICSA-N 1 0 343.836 2.455 20 5 EEBDRO Cc1c(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423618863 466786906 /nfs/dbraw/zinc/78/69/06/466786906.db2.gz ZDOHWWITTRFQAT-DLBZAZTESA-N 1 0 339.395 2.399 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417136051 466789899 /nfs/dbraw/zinc/78/98/99/466789899.db2.gz KBLGNEKFMKNLLG-ZGKBOVNRSA-N 1 0 332.404 2.343 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423707954 466810241 /nfs/dbraw/zinc/81/02/41/466810241.db2.gz OTRWWBMXWYAVTO-FVGKDHOHSA-N 1 0 340.383 2.389 20 5 EEBDRO COc1cccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000375375991 466838553 /nfs/dbraw/zinc/83/85/53/466838553.db2.gz AQDPELFYYPFEHF-HUUCEWRRSA-N 1 0 348.447 2.066 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417717070 466916429 /nfs/dbraw/zinc/91/64/29/466916429.db2.gz MIIZAKLMCBUNPA-ZIAGYGMSSA-N 1 0 349.435 2.132 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000423952279 466926056 /nfs/dbraw/zinc/92/60/56/466926056.db2.gz PWKUZHGZZQJNIU-HNNXBMFYSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417771455 466928373 /nfs/dbraw/zinc/92/83/73/466928373.db2.gz VGZKSWKUZMNMSY-INIZCTEOSA-N 1 0 346.431 2.168 20 5 EEBDRO COC(=O)c1oc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000365820936 466951326 /nfs/dbraw/zinc/95/13/26/466951326.db2.gz OUYXTRIFZKNIKO-UHFFFAOYSA-N 1 0 348.359 2.316 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365848179 466961982 /nfs/dbraw/zinc/96/19/82/466961982.db2.gz NIBHLAPSIKVOJG-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000373932264 466973246 /nfs/dbraw/zinc/97/32/46/466973246.db2.gz GVJWDTMADCWGAV-KBPBESRZSA-N 1 0 333.388 2.350 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108083 467013214 /nfs/dbraw/zinc/01/32/14/467013214.db2.gz HFMFDQYLGHLMAI-RRQGHBQHSA-N 1 0 331.416 2.499 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000412108666 467013595 /nfs/dbraw/zinc/01/35/95/467013595.db2.gz BGIIQWIUEIQMEB-DLBZAZTESA-N 1 0 329.400 2.395 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412106186 467013910 /nfs/dbraw/zinc/01/39/10/467013910.db2.gz GVSJGKSBOOSWPN-UHFFFAOYSA-N 1 0 341.383 2.133 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000377101118 467027972 /nfs/dbraw/zinc/02/79/72/467027972.db2.gz FDFBFPJVNNFRII-KRWDZBQOSA-N 1 0 333.388 2.079 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000377132151 467036987 /nfs/dbraw/zinc/03/69/87/467036987.db2.gz WPQUAAYOPGZPTG-BZUAXINKSA-N 1 0 342.399 2.333 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418090294 467042453 /nfs/dbraw/zinc/04/24/53/467042453.db2.gz NNVONRDQOZBYED-MRVPVSSYSA-N 1 0 334.298 2.150 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)n1 ZINC000377658936 467108710 /nfs/dbraw/zinc/10/87/10/467108710.db2.gz LCYYVYLZBJXPEJ-KRWDZBQOSA-N 1 0 328.372 2.261 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377671056 467111749 /nfs/dbraw/zinc/11/17/49/467111749.db2.gz HTZGFJRVSMWVOB-QGZVFWFLSA-N 1 0 346.387 2.485 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000431920304 467202676 /nfs/dbraw/zinc/20/26/76/467202676.db2.gz SWVAANAGYLVITO-AWEZNQCLSA-N 1 0 335.404 2.130 20 5 EEBDRO C[N@H+](CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000413346859 467221415 /nfs/dbraw/zinc/22/14/15/467221415.db2.gz JCSKZEWCWZFZFU-UHFFFAOYSA-N 1 0 331.376 2.931 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)ccnc21 ZINC000432331203 467231700 /nfs/dbraw/zinc/23/17/00/467231700.db2.gz KCEZBCZICPRHGZ-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000451860815 467275596 /nfs/dbraw/zinc/27/55/96/467275596.db2.gz XCNHTJIAPKKXEJ-HUUCEWRRSA-N 1 0 333.388 2.083 20 5 EEBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976550 467292458 /nfs/dbraw/zinc/29/24/58/467292458.db2.gz YORXCMMQYZHUNR-RDJZCZTQSA-N 1 0 348.378 2.437 20 5 EEBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429055437 467297175 /nfs/dbraw/zinc/29/71/75/467297175.db2.gz SYPLOPJJDWODSX-CHWSQXEVSA-N 1 0 334.420 2.298 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452099109 467322349 /nfs/dbraw/zinc/32/23/49/467322349.db2.gz CAONTGAMERRBTH-ZDUSSCGKSA-N 1 0 341.433 2.006 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294351 467342167 /nfs/dbraw/zinc/34/21/67/467342167.db2.gz SNALTMQFDPTQND-ZDUSSCGKSA-N 1 0 342.827 2.492 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345414 467371462 /nfs/dbraw/zinc/37/14/62/467371462.db2.gz WEKISPLXYIQDSD-CXAGYDPISA-N 1 0 346.431 2.386 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000434238613 467384132 /nfs/dbraw/zinc/38/41/32/467384132.db2.gz XEZZXFNEMYVZIA-SNVBAGLBSA-N 1 0 325.413 2.147 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000429974310 467388511 /nfs/dbraw/zinc/38/85/11/467388511.db2.gz OVNZPOCCHHWOIU-LBPRGKRZSA-N 1 0 335.404 2.245 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414323279 467402746 /nfs/dbraw/zinc/40/27/46/467402746.db2.gz GZXPIAYABUGLRU-CYBMUJFWSA-N 1 0 340.445 2.330 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000420580243 467427883 /nfs/dbraw/zinc/42/78/83/467427883.db2.gz CFVXZNLLUKXKBV-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO C[NH2+]C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435392513 467466114 /nfs/dbraw/zinc/46/61/14/467466114.db2.gz WVNSQOBLAGMMQY-CYBMUJFWSA-N 1 0 329.404 2.037 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448749924 467599871 /nfs/dbraw/zinc/59/98/71/467599871.db2.gz OZAOETMSIPHIPS-HNNXBMFYSA-N 1 0 333.388 2.014 20 5 EEBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000492583532 467678461 /nfs/dbraw/zinc/67/84/61/467678461.db2.gz PUEUUMSLUHJJRG-HNNXBMFYSA-N 1 0 335.404 2.294 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449696587 467692588 /nfs/dbraw/zinc/69/25/88/467692588.db2.gz KHPMXKXGKIUPAL-LSDHHAIUSA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)[N@H+]1CCO ZINC000450795466 467909988 /nfs/dbraw/zinc/90/99/88/467909988.db2.gz OYGRNRSYYIPURX-PHIMTYICSA-N 1 0 345.346 2.088 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCC(F)F ZINC000471762238 467974285 /nfs/dbraw/zinc/97/42/85/467974285.db2.gz SPCFIACCFIKESB-JTQLQIEISA-N 1 0 331.319 2.183 20 5 EEBDRO CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487956548 468063303 /nfs/dbraw/zinc/06/33/03/468063303.db2.gz LTPLRJJNDNSSPB-CJNGLKHVSA-N 1 0 334.420 2.194 20 5 EEBDRO C[C@H](CCc1cccn1C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567690748 468185072 /nfs/dbraw/zinc/18/50/72/468185072.db2.gz INPLEFMCIJDTSQ-RHSMWYFYSA-N 1 0 347.415 2.284 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000590347929 468239084 /nfs/dbraw/zinc/23/90/84/468239084.db2.gz MZTRPDAGTFRNDU-UHFFFAOYSA-N 1 0 332.404 2.246 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567926513 468239094 /nfs/dbraw/zinc/23/90/94/468239094.db2.gz JVZHQMHYXUVORH-JGVFFNPUSA-N 1 0 347.318 2.060 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594201138 468510694 /nfs/dbraw/zinc/51/06/94/468510694.db2.gz NZCLNSHXLJUQEW-HZPDHXFCSA-N 1 0 333.388 2.107 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000591728999 468511954 /nfs/dbraw/zinc/51/19/54/468511954.db2.gz CLOYDWROYIDKRW-GJZGRUSLSA-N 1 0 328.368 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000591754400 468515121 /nfs/dbraw/zinc/51/51/21/468515121.db2.gz JCERXICLJOEJLU-SNVBAGLBSA-N 1 0 334.344 2.146 20 5 EEBDRO O=C(CC[N@@H+]1CCOC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000570568099 468657967 /nfs/dbraw/zinc/65/79/67/468657967.db2.gz HIHURKHRCBSDEL-INIZCTEOSA-N 1 0 333.388 2.424 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253921 468665074 /nfs/dbraw/zinc/66/50/74/468665074.db2.gz QHLBMNOXAREPEM-CABCVRRESA-N 1 0 346.431 2.488 20 5 EEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357193 468682388 /nfs/dbraw/zinc/68/23/88/468682388.db2.gz UMZDCQMWTIQZRW-NXEZZACHSA-N 1 0 335.368 2.007 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000600951570 468694125 /nfs/dbraw/zinc/69/41/25/468694125.db2.gz RYYOREACJAPPPZ-SNVBAGLBSA-N 1 0 327.182 2.449 20 5 EEBDRO Nc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000592429893 468696728 /nfs/dbraw/zinc/69/67/28/468696728.db2.gz OCRRZFOOKJIQQZ-UHFFFAOYSA-N 1 0 328.372 2.615 20 5 EEBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592487890 468709483 /nfs/dbraw/zinc/70/94/83/468709483.db2.gz ANCJCRWGZGTLFG-MJBXVCDLSA-N 1 0 334.420 2.289 20 5 EEBDRO Cc1c(CNC(=O)C2([NH3+])Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000592562390 468729959 /nfs/dbraw/zinc/72/99/59/468729959.db2.gz FSSLQVLYQQPFFD-UHFFFAOYSA-N 1 0 325.368 2.016 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000571054489 468733224 /nfs/dbraw/zinc/73/32/24/468733224.db2.gz XJHOWGSCLTZMDI-KBPBESRZSA-N 1 0 346.353 2.034 20 5 EEBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094090 468757481 /nfs/dbraw/zinc/75/74/81/468757481.db2.gz CHYSKKVVHKJWEC-DZGCQCFKSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c([N+](=O)[O-])s1 ZINC000601178262 468772662 /nfs/dbraw/zinc/77/26/62/468772662.db2.gz NELRMKWFBHFHGX-ZDUSSCGKSA-N 1 0 338.433 2.072 20 5 EEBDRO COC(=O)c1cnc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000601217267 468785809 /nfs/dbraw/zinc/78/58/09/468785809.db2.gz YGWWGWLIISOSGR-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@@H](C)n2ccnc2)c(C)c([N+](=O)[O-])c1 ZINC000584295224 468840260 /nfs/dbraw/zinc/84/02/60/468840260.db2.gz VXOWCRPSDOJJEF-SNVBAGLBSA-N 1 0 346.343 2.476 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504812 468879812 /nfs/dbraw/zinc/87/98/12/468879812.db2.gz MRDONRQCFLTGNJ-SFHVURJKSA-N 1 0 346.431 2.259 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505168 468880254 /nfs/dbraw/zinc/88/02/54/468880254.db2.gz QFTRQKTWPCVLJY-KBXCAEBGSA-N 1 0 346.431 2.340 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598589786 468925417 /nfs/dbraw/zinc/92/54/17/468925417.db2.gz JNIWZUKAJSJIQH-NEPJUHHUSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595670809 468947444 /nfs/dbraw/zinc/94/74/44/468947444.db2.gz DMKGQBCKTQBLJT-CJNGLKHVSA-N 1 0 335.404 2.406 20 5 EEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000598668230 468951708 /nfs/dbraw/zinc/95/17/08/468951708.db2.gz QVPWWUVCRVVDOD-DIFFPNOSSA-N 1 0 326.356 2.096 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593459688 468990076 /nfs/dbraw/zinc/99/00/76/468990076.db2.gz UPIJDWHSLPRFKE-OAHLLOKOSA-N 1 0 335.379 2.363 20 5 EEBDRO CCN(CCOCCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602654737 468990393 /nfs/dbraw/zinc/99/03/93/468990393.db2.gz XXGVWBUEUGNUDM-UHFFFAOYSA-N 1 0 336.310 2.444 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000595923416 469085301 /nfs/dbraw/zinc/08/53/01/469085301.db2.gz TXWXZBKINGUGNQ-UHFFFAOYSA-N 1 0 347.396 2.111 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000595941438 469093370 /nfs/dbraw/zinc/09/33/70/469093370.db2.gz PWSPQKAQDUKJOU-UHFFFAOYSA-N 1 0 332.404 2.196 20 5 EEBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000573315481 469103916 /nfs/dbraw/zinc/10/39/16/469103916.db2.gz LSHUYGQRENKLCH-ZDUSSCGKSA-N 1 0 333.388 2.158 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(F)c2F)c1 ZINC000601969676 469118673 /nfs/dbraw/zinc/11/86/73/469118673.db2.gz RVVSIGULAGOKQN-ZDUSSCGKSA-N 1 0 338.310 2.403 20 5 EEBDRO CCn1nccc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596092458 469152388 /nfs/dbraw/zinc/15/23/88/469152388.db2.gz ALPHKSNCNMYHMU-GFCCVEGCSA-N 1 0 331.376 2.318 20 5 EEBDRO C[NH+](C)CCCOc1cnccc1CNc1cccnc1[N+](=O)[O-] ZINC000588855478 469171826 /nfs/dbraw/zinc/17/18/26/469171826.db2.gz KBXOFFQBMWRLOQ-UHFFFAOYSA-N 1 0 331.376 2.327 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000573941839 469235713 /nfs/dbraw/zinc/23/57/13/469235713.db2.gz ZWLZSDGDYLVLFM-DLBZAZTESA-N 1 0 340.383 2.231 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603081766 469254127 /nfs/dbraw/zinc/25/41/27/469254127.db2.gz CVQCIVKINXKPKC-UHFFFAOYSA-N 1 0 326.356 2.342 20 5 EEBDRO COC(=O)c1cnc(N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488482 469282191 /nfs/dbraw/zinc/28/21/91/469282191.db2.gz QAWLLTNNQPLWIA-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599624077 469313911 /nfs/dbraw/zinc/31/39/11/469313911.db2.gz QJOAZASQPONZBJ-YPMHNXCESA-N 1 0 330.331 2.454 20 5 EEBDRO O=C1CN(CCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CCN1 ZINC000596637476 469317959 /nfs/dbraw/zinc/31/79/59/469317959.db2.gz WUKPMHUCTUGSML-UHFFFAOYSA-N 1 0 341.367 2.072 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602526255 469350045 /nfs/dbraw/zinc/35/00/45/469350045.db2.gz GLPJNHTUSALHJJ-KRWDZBQOSA-N 1 0 346.431 2.265 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CCCCC3)CC2)cn1 ZINC000602561271 469361563 /nfs/dbraw/zinc/36/15/63/469361563.db2.gz OCJOPHBLYDZVQC-QGZVFWFLSA-N 1 0 348.447 2.489 20 5 EEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592255 469375671 /nfs/dbraw/zinc/37/56/71/469375671.db2.gz PEJVUAZIBKWZSK-TXEJJXNPSA-N 1 0 344.396 2.295 20 5 EEBDRO COc1cc(CN[C@@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433994 469395121 /nfs/dbraw/zinc/39/51/21/469395121.db2.gz OGQKPFLULYEQPU-CHWSQXEVSA-N 1 0 345.346 2.420 20 5 EEBDRO Cn1cc([C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000618616120 469403845 /nfs/dbraw/zinc/40/38/45/469403845.db2.gz JFTMUPFBDWDZEB-QKVQGTQPSA-N 1 0 342.399 2.049 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000616326002 469424316 /nfs/dbraw/zinc/42/43/16/469424316.db2.gz MYUNJICCUODSCW-CQSZACIVSA-N 1 0 333.388 2.126 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609147419 469896324 /nfs/dbraw/zinc/89/63/24/469896324.db2.gz CWBOIUOJBTWYBB-AWEZNQCLSA-N 1 0 337.395 2.421 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609382845 469923224 /nfs/dbraw/zinc/92/32/24/469923224.db2.gz FKCSHIMQBNAZHJ-CYBMUJFWSA-N 1 0 328.372 2.290 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609382331 469923627 /nfs/dbraw/zinc/92/36/27/469923627.db2.gz ANSIECWPRUGMDS-OAHLLOKOSA-N 1 0 344.415 2.383 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609833874 469963987 /nfs/dbraw/zinc/96/39/87/469963987.db2.gz ZEYUYTJDZLCBDF-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000610405184 470011803 /nfs/dbraw/zinc/01/18/03/470011803.db2.gz PBLUMNXSXISQQB-OAHLLOKOSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1c(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000160271899 533831191 /nfs/dbraw/zinc/83/11/91/533831191.db2.gz WPKLADFDBYWYQE-ZIAGYGMSSA-N 1 0 349.431 2.061 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417735854 517970162 /nfs/dbraw/zinc/97/01/62/517970162.db2.gz WOCNPZKDZISQFE-INIZCTEOSA-N 1 0 334.420 2.311 20 5 EEBDRO Cc1nc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132971285 534486133 /nfs/dbraw/zinc/48/61/33/534486133.db2.gz NEGCHUROCYFOLP-HOTGVXAUSA-N 1 0 334.420 2.478 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891773 527836126 /nfs/dbraw/zinc/83/61/26/527836126.db2.gz LFZKMBSFWFVMJS-CQSZACIVSA-N 1 0 337.420 2.256 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154229055 528112175 /nfs/dbraw/zinc/11/21/75/528112175.db2.gz MRLBYDBTCCRRTF-UHFFFAOYSA-N 1 0 347.412 2.053 20 5 EEBDRO COC(=O)c1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000237089422 536530413 /nfs/dbraw/zinc/53/04/13/536530413.db2.gz HDJDDXGIDZVNAH-VGPLMAKISA-N 1 0 347.371 2.241 20 5 EEBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000236842841 535243843 /nfs/dbraw/zinc/24/38/43/535243843.db2.gz BFVOJLKKSGKZPD-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000423717163 535425710 /nfs/dbraw/zinc/42/57/10/535425710.db2.gz JTVBNPJVJQTCNW-KBPBESRZSA-N 1 0 347.415 2.455 20 5 EEBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000349034009 535862341 /nfs/dbraw/zinc/86/23/41/535862341.db2.gz BTCUUDYOWWWCSC-HNNXBMFYSA-N 1 0 325.384 2.277 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000228668175 535973889 /nfs/dbraw/zinc/97/38/89/535973889.db2.gz IBJVDGOPDRSLHK-GFCCVEGCSA-N 1 0 332.198 2.082 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCCC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266005598 535985399 /nfs/dbraw/zinc/98/53/99/535985399.db2.gz KNBJNSUFFRZFJA-UHFFFAOYSA-N 1 0 347.415 2.450 20 5 EEBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(C)(C)C1 ZINC000459749894 536173413 /nfs/dbraw/zinc/17/34/13/536173413.db2.gz ZLWDTCJPTSKTOT-UHFFFAOYSA-N 1 0 335.360 2.382 20 5 EEBDRO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580285 577463166 /nfs/dbraw/zinc/46/31/66/577463166.db2.gz SFJJGJDLNGBKPN-RDJZCZTQSA-N 1 0 349.431 2.257 20 5 EEBDRO C[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764889973 577490267 /nfs/dbraw/zinc/49/02/67/577490267.db2.gz RJDUVVKOQLOHGM-AWEZNQCLSA-N 1 0 329.404 2.438 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c2nonc21 ZINC000763376183 577720183 /nfs/dbraw/zinc/72/01/83/577720183.db2.gz NONNWDJJQKHQPN-WCQYABFASA-N 1 0 347.375 2.186 20 5 EEBDRO CC[C@@]1(C)CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755271222 577822745 /nfs/dbraw/zinc/82/27/45/577822745.db2.gz NUTPKEKXYGZDQZ-INIZCTEOSA-N 1 0 332.360 2.491 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000757616494 577861322 /nfs/dbraw/zinc/86/13/22/577861322.db2.gz XLGXRPMHFSJQCB-UHFFFAOYSA-N 1 0 348.325 2.181 20 5 EEBDRO Cc1ccc(C2=CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000743256969 577882290 /nfs/dbraw/zinc/88/22/90/577882290.db2.gz ZJIPNBASCMRAJR-SFHVURJKSA-N 1 0 342.399 2.250 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000749645194 577979447 /nfs/dbraw/zinc/97/94/47/577979447.db2.gz HMKUNHRTJTUHHO-INIZCTEOSA-N 1 0 344.367 2.232 20 5 EEBDRO CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021056137 675698100 /nfs/dbraw/zinc/69/81/00/675698100.db2.gz SZFGSGFFPLMPIA-SHTZXODSSA-N 1 0 342.399 2.467 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C=CCC3)c2)CC1 ZINC000934037586 677772093 /nfs/dbraw/zinc/77/20/93/677772093.db2.gz GPNBEVFLSTYFNS-CYBMUJFWSA-N 1 0 345.403 2.187 20 5 EEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000235371092 679795112 /nfs/dbraw/zinc/79/51/12/679795112.db2.gz XLGCCYZDZIJCBG-SNVBAGLBSA-N 1 0 328.210 2.493 20 5 EEBDRO CCN(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000177793442 681525449 /nfs/dbraw/zinc/52/54/49/681525449.db2.gz LQYFKEFJMYAQOP-HNNXBMFYSA-N 1 0 332.360 2.028 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000983029134 681693333 /nfs/dbraw/zinc/69/33/33/681693333.db2.gz ZANQOEPCLSHWOP-HDJSIYSDSA-N 1 0 329.356 2.486 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000983104453 681800823 /nfs/dbraw/zinc/80/08/23/681800823.db2.gz DOYJXPOSNPOOIC-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO COc1ccccc1OCCN(C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000124259136 685573679 /nfs/dbraw/zinc/57/36/79/685573679.db2.gz HFTRQFILKMSBBC-UHFFFAOYSA-N 1 0 334.376 2.385 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894707782 683043464 /nfs/dbraw/zinc/04/34/64/683043464.db2.gz PFJQBTMTGAZXJA-MCIONIFRSA-N 1 0 336.388 2.434 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CC2(CC2)C1 ZINC001026028206 683762335 /nfs/dbraw/zinc/76/23/35/683762335.db2.gz VOTRHLXWGPNVNE-FVQHAEBGSA-N 1 0 341.411 2.331 20 5 EEBDRO CC(C)(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000429227659 683991009 /nfs/dbraw/zinc/99/10/09/683991009.db2.gz PXGLVLIZZFLEDY-HNNXBMFYSA-N 1 0 347.415 2.199 20 5 EEBDRO CC1=NO[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000895311741 684477311 /nfs/dbraw/zinc/47/73/11/684477311.db2.gz QTQCOHSLEVTDNN-OAHLLOKOSA-N 1 0 329.360 2.250 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC000897234739 686299308 /nfs/dbraw/zinc/29/93/08/686299308.db2.gz IPGDIYIITWINKL-HNNXBMFYSA-N 1 0 349.431 2.178 20 5 EEBDRO Cn1cc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000127950749 692956956 /nfs/dbraw/zinc/95/69/56/692956956.db2.gz CVNIPFKPDHZXNN-UHFFFAOYSA-N 1 0 329.404 2.129 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001105558567 1188175900 /nfs/dbraw/zinc/17/59/00/1188175900.db2.gz XUDZMZHTXYRXEJ-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cc1c(CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079891 1198494393 /nfs/dbraw/zinc/49/43/93/1198494393.db2.gz JINMNPCULHVJLC-ROUUACIJSA-N 1 0 333.432 2.371 20 5 EEBDRO COCCC(=O)N1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873080502 1198494544 /nfs/dbraw/zinc/49/45/44/1198494544.db2.gz QBCLIQCGIOUITP-UHFFFAOYSA-N 1 0 349.431 2.329 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873194421 1198526140 /nfs/dbraw/zinc/52/61/40/1198526140.db2.gz XSQUEYYZRYEBHS-JBBXEZCESA-N 1 0 348.374 2.349 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C2)C1 ZINC000813634357 1199120775 /nfs/dbraw/zinc/12/07/75/1199120775.db2.gz JVLBHYPHEAOXDG-GOSISDBHSA-N 1 0 344.415 2.019 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159019065 1199183960 /nfs/dbraw/zinc/18/39/60/1199183960.db2.gz ASSYFLNNVYCDHE-UHFFFAOYSA-N 1 0 332.738 2.378 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC001134270281 1199438367 /nfs/dbraw/zinc/43/83/67/1199438367.db2.gz ZGGLHMAQLVYWSY-UHFFFAOYSA-N 1 0 345.424 2.277 20 5 EEBDRO CCN(C[C@H](C)OC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000812304242 1200627262 /nfs/dbraw/zinc/62/72/62/1200627262.db2.gz VSMAZDCTSXDKLK-ZDUSSCGKSA-N 1 0 336.392 2.151 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000870869207 1200921963 /nfs/dbraw/zinc/92/19/63/1200921963.db2.gz GBGZHQFWMDJJGA-ACJLOTCBSA-N 1 0 325.368 2.225 20 5 EEBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000870894920 1200937863 /nfs/dbraw/zinc/93/78/63/1200937863.db2.gz NGUQAABCKKFQQO-OKILXGFUSA-N 1 0 347.415 2.482 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CCOCC1 ZINC000866216707 1201468246 /nfs/dbraw/zinc/46/82/46/1201468246.db2.gz TUWAZJRXDWRJEG-CYBMUJFWSA-N 1 0 339.411 2.365 20 5 EEBDRO COc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726269 1201929091 /nfs/dbraw/zinc/92/90/91/1201929091.db2.gz PDQUOGJOYDKRSN-CQSZACIVSA-N 1 0 335.404 2.341 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095358552 1204172440 /nfs/dbraw/zinc/17/24/40/1204172440.db2.gz WPXZTHTVQJLHGO-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO Cc1cc(N(C)CCCNC(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001095582718 1205881662 /nfs/dbraw/zinc/88/16/62/1205881662.db2.gz HHSPXQGMFIKWCO-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778245760 1207954388 /nfs/dbraw/zinc/95/43/88/1207954388.db2.gz HFQPTMOSHZKJDV-UHFFFAOYSA-N 1 0 349.416 2.061 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935398389 1208145919 /nfs/dbraw/zinc/14/59/19/1208145919.db2.gz KCFVMHYBFJWFJN-SJORKVTESA-N 1 0 329.400 2.467 20 5 EEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000796393251 1217251484 /nfs/dbraw/zinc/25/14/84/1217251484.db2.gz HQLBGHKKCSCTPL-NOZJJQNGSA-N 1 0 327.381 2.404 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1C ZINC001019983743 1229428510 /nfs/dbraw/zinc/42/85/10/1229428510.db2.gz HFNNAVLNWTXPBZ-JOCQHMNTSA-N 1 0 348.428 2.354 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000119620845 1229563349 /nfs/dbraw/zinc/56/33/49/1229563349.db2.gz KZBWVYUSCDVFNC-LLVKDONJSA-N 1 0 347.462 2.057 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCC1 ZINC000801896272 1236375200 /nfs/dbraw/zinc/37/52/00/1236375200.db2.gz SWCLGVIITJMCDW-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO CC(C)[C@@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+](C)C ZINC000803494375 1240524689 /nfs/dbraw/zinc/52/46/89/1240524689.db2.gz DCRMQIMIYFYDGT-AWEZNQCLSA-N 1 0 348.359 2.274 20 5 EEBDRO Cc1cc(F)ccc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399251 1242195553 /nfs/dbraw/zinc/19/55/53/1242195553.db2.gz LAPMIJJPGUUJFH-IAGOWNOFSA-N 1 0 349.406 2.128 20 5 EEBDRO CSCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050424158 1243567966 /nfs/dbraw/zinc/56/79/66/1243567966.db2.gz LHQFSTAFGQVTFO-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CC3(CCC3)C1)CC2 ZINC001050516967 1243769552 /nfs/dbraw/zinc/76/95/52/1243769552.db2.gz LGGQQHJPJDKUSZ-HZPDHXFCSA-N 1 0 347.459 2.156 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001097191450 1243805236 /nfs/dbraw/zinc/80/52/36/1243805236.db2.gz LJAACCJNLOIWPG-OKILXGFUSA-N 1 0 334.420 2.303 20 5 EEBDRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199327987 1285609038 /nfs/dbraw/zinc/60/90/38/1285609038.db2.gz OKUANHVTDUKYSQ-UHFFFAOYSA-N 1 0 347.415 2.435 20 5 EEBDRO CCCCOCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199911852 1285901470 /nfs/dbraw/zinc/90/14/70/1285901470.db2.gz SFWKJXBHMSNRKF-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764844 1293910869 /nfs/dbraw/zinc/91/08/69/1293910869.db2.gz CAUPQLNCGKONPI-GHMZBOCLSA-N 1 0 343.330 2.152 20 5 EEBDRO CC(C)OCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001153449937 1295152923 /nfs/dbraw/zinc/15/29/23/1295152923.db2.gz LMFDACSNRMUBKU-UHFFFAOYSA-N 1 0 329.422 2.067 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001072725155 1296057193 /nfs/dbraw/zinc/05/71/93/1296057193.db2.gz JNZWJZOYQLYOFZ-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218034196 1297552334 /nfs/dbraw/zinc/55/23/34/1297552334.db2.gz MSNGPPIWDXVQCR-GMSGAONNSA-N 1 0 348.140 2.186 20 5 EEBDRO CC(C)(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114162 1299982933 /nfs/dbraw/zinc/98/29/33/1299982933.db2.gz JMRLLVCNDRUCLC-HUUCEWRRSA-N 1 0 325.453 2.306 20 5 EEBDRO CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001102017429 1300147140 /nfs/dbraw/zinc/14/71/40/1300147140.db2.gz YOCPKGJMVJNBRN-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-c2ccccn2)cc1 ZINC001223752502 1300250170 /nfs/dbraw/zinc/25/01/70/1300250170.db2.gz HSFVAPXHIRAFRI-QGZVFWFLSA-N 1 0 329.420 2.249 20 5 EEBDRO Cc1oc(-c2ccccc2)nc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223920101 1300331071 /nfs/dbraw/zinc/33/10/71/1300331071.db2.gz CJZZQPFQFIPPCO-OAHLLOKOSA-N 1 0 333.408 2.150 20 5 EEBDRO Cc1oc(-c2ccc(C)cc2)nc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224264273 1300517342 /nfs/dbraw/zinc/51/73/42/1300517342.db2.gz DMQHAMHRINAWFS-MRXNPFEDSA-N 1 0 347.435 2.459 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102199203 1300551095 /nfs/dbraw/zinc/55/10/95/1300551095.db2.gz YOHGLZVRXOQHHN-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO CCOC(=O)CCCCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224910326 1300777614 /nfs/dbraw/zinc/77/76/14/1300777614.db2.gz ZWGGMLXKODYINP-MRXNPFEDSA-N 1 0 346.488 2.281 20 5 EEBDRO Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Br ZINC001227124329 1301699108 /nfs/dbraw/zinc/69/91/08/1301699108.db2.gz MLXLGYQCWWRBPE-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO O=[N+]([O-])c1cncnc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001228654687 1302362979 /nfs/dbraw/zinc/36/29/79/1302362979.db2.gz MHYATNXSJDIHIN-UHFFFAOYSA-N 1 0 328.372 2.471 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103434451 1302956799 /nfs/dbraw/zinc/95/67/99/1302956799.db2.gz FSSFSLSWYLJXMY-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000783559110 1304299110 /nfs/dbraw/zinc/29/91/10/1304299110.db2.gz JITJDWNIYUAYHH-HOTGVXAUSA-N 1 0 339.823 2.279 20 5 EEBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(F)(F)F)c1 ZINC001233823337 1304603593 /nfs/dbraw/zinc/60/35/93/1304603593.db2.gz QBCDERTYYUPGKT-GFCCVEGCSA-N 1 0 348.341 2.271 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155038269 1317428162 /nfs/dbraw/zinc/42/81/62/1317428162.db2.gz MWSUWLSMEWRCNW-WHFBIAKZSA-N 1 0 343.668 2.169 20 5 EEBDRO [NH3+][C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC001122341172 1310265700 /nfs/dbraw/zinc/26/57/00/1310265700.db2.gz LMSPVMCHUGNYAQ-CABCVRRESA-N 1 0 329.400 2.403 20 5 EEBDRO CC1(C[NH3+])CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246589083 1310349734 /nfs/dbraw/zinc/34/97/34/1310349734.db2.gz NGTHOAHXFSFSOX-UHFFFAOYSA-N 1 0 340.374 2.122 20 5 EEBDRO CC[C@@H]1C[NH2+]CCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246801470 1310433837 /nfs/dbraw/zinc/43/38/37/1310433837.db2.gz FEFJLROOGBAFFL-VXGBXAGGSA-N 1 0 325.384 2.357 20 5 EEBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001159293251 1319723224 /nfs/dbraw/zinc/72/32/24/1319723224.db2.gz DYLDPSAWJADJAD-UHFFFAOYSA-N 1 0 347.762 2.497 20 5 EEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839676218 1315230902 /nfs/dbraw/zinc/23/09/02/1315230902.db2.gz WJBDUEVJVMMCPO-NEPJUHHUSA-N 1 0 339.367 2.155 20 5 EEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839693945 1315234810 /nfs/dbraw/zinc/23/48/10/1315234810.db2.gz HUHJHTUSLSQSFG-GVDBMIGSSA-N 1 0 331.416 2.022 20 5 EEBDRO Cc1nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ncc([N+](=O)[O-])cc12 ZINC000840085725 1315289922 /nfs/dbraw/zinc/28/99/22/1315289922.db2.gz GSVJZSLPHNQJGG-KRWDZBQOSA-N 1 0 344.419 2.023 20 5 EEBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162642 1315493438 /nfs/dbraw/zinc/49/34/38/1315493438.db2.gz YSUUDRCPCJTFMK-UHFFFAOYSA-N 1 0 331.170 2.216 20 5 EEBDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841746097 1315607863 /nfs/dbraw/zinc/60/78/63/1315607863.db2.gz CETWOWVUBHCHOR-OAHLLOKOSA-N 1 0 326.418 2.387 20 5 EEBDRO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843094250 1315840331 /nfs/dbraw/zinc/84/03/31/1315840331.db2.gz JXHXTSUETHDOEQ-YJBOKZPZSA-N 1 0 346.383 2.003 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109626 1315845072 /nfs/dbraw/zinc/84/50/72/1315845072.db2.gz WJSHMIKLUCIEDR-IAGOWNOFSA-N 1 0 345.399 2.373 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000843125416 1315849276 /nfs/dbraw/zinc/84/92/76/1315849276.db2.gz VYRZHANUVKJAQY-CYBMUJFWSA-N 1 0 339.823 2.436 20 5 EEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000843338845 1315893635 /nfs/dbraw/zinc/89/36/35/1315893635.db2.gz WHALCAQDGQAVRK-LBPRGKRZSA-N 1 0 336.348 2.026 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000843347611 1315896337 /nfs/dbraw/zinc/89/63/37/1315896337.db2.gz XIFVAJFTPBVTIX-UFBFGSQYSA-N 1 0 329.759 2.126 20 5 EEBDRO C[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C[NH3+] ZINC000843351110 1315896519 /nfs/dbraw/zinc/89/65/19/1315896519.db2.gz GYPQEBUZLLRMCQ-NHYWBVRUSA-N 1 0 338.383 2.122 20 5 EEBDRO O=C(COc1ccccc1F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150950146 1316417030 /nfs/dbraw/zinc/41/70/30/1316417030.db2.gz GJYHYWWVIXAQJO-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC001249278743 1317041033 /nfs/dbraw/zinc/04/10/33/1317041033.db2.gz PSUDAXUZHUDDGL-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO CC(C)COCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154956733 1317400971 /nfs/dbraw/zinc/40/09/71/1317400971.db2.gz SMAZGMZTRBUQRP-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155033745 1317426955 /nfs/dbraw/zinc/42/69/55/1317426955.db2.gz OOSJOPQJGGVBBP-YUMQZZPRSA-N 1 0 325.731 2.303 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155824092 1317748771 /nfs/dbraw/zinc/74/87/71/1317748771.db2.gz JLMHHYRUNMJPPR-GXTWGEPZSA-N 1 0 326.784 2.356 20 5 EEBDRO N=c1cc(C[NH3+])ccn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465824 1318081435 /nfs/dbraw/zinc/08/14/35/1318081435.db2.gz MIYAPVYRJRJDHY-UHFFFAOYSA-N 1 0 327.388 2.176 20 5 EEBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001156593499 1318095051 /nfs/dbraw/zinc/09/50/51/1318095051.db2.gz JFUQFEHTELJHNN-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO COc1cccc([C@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254577638 1318128988 /nfs/dbraw/zinc/12/89/88/1318128988.db2.gz FZHQNXATJQUCRI-QAPCUYQASA-N 1 0 328.368 2.394 20 5 EEBDRO CC(C)NC(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587664 1318135108 /nfs/dbraw/zinc/13/51/08/1318135108.db2.gz YRSPDFYGSRGISI-INIZCTEOSA-N 1 0 346.431 2.234 20 5 EEBDRO COCCCC[NH+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610246 1318143894 /nfs/dbraw/zinc/14/38/94/1318143894.db2.gz IRKRSCOBPHTESK-GOSISDBHSA-N 1 0 333.432 2.106 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093747 1318646218 /nfs/dbraw/zinc/64/62/18/1318646218.db2.gz PUGFPRBWJZXJRT-INIZCTEOSA-N 1 0 349.431 2.419 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256100993 1318647614 /nfs/dbraw/zinc/64/76/14/1318647614.db2.gz XNKFBJSGVFNZLU-XJKSGUPXSA-N 1 0 349.431 2.417 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C1 ZINC001158267168 1319127332 /nfs/dbraw/zinc/12/73/32/1319127332.db2.gz PYAUSSWDQKPYJN-CQSZACIVSA-N 1 0 341.415 2.145 20 5 EEBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158627246 1319344203 /nfs/dbraw/zinc/34/42/03/1319344203.db2.gz POFMXSJKUNGHOU-CQSZACIVSA-N 1 0 327.388 2.336 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160738893 1320254078 /nfs/dbraw/zinc/25/40/78/1320254078.db2.gz VNHGTXGCMXPPRS-CMPLNLGQSA-N 1 0 341.293 2.490 20 5 EEBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001161068322 1320374826 /nfs/dbraw/zinc/37/48/26/1320374826.db2.gz ZWAXTBHPNMGFDU-UHFFFAOYSA-N 1 0 330.388 2.449 20 5 EEBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001162219600 1320787423 /nfs/dbraw/zinc/78/74/23/1320787423.db2.gz HRFOWPQQMJIKGP-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(CCF)CC1 ZINC001163143059 1321050070 /nfs/dbraw/zinc/05/00/70/1321050070.db2.gz SAFAVGRJCIAVAR-UHFFFAOYSA-N 1 0 329.397 2.392 20 5 EEBDRO Cc1ccc2c(ccnc2NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001163147758 1321050632 /nfs/dbraw/zinc/05/06/32/1321050632.db2.gz KZDHBHXKNJIUBW-SJCJKPOMSA-N 1 0 328.372 2.099 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163226943 1321072021 /nfs/dbraw/zinc/07/20/21/1321072021.db2.gz NVGFLQSFTYVXFJ-JTQLQIEISA-N 1 0 348.384 2.403 20 5 EEBDRO CC(=O)Nc1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282861 1321087500 /nfs/dbraw/zinc/08/75/00/1321087500.db2.gz BCPQOASHEMKZGB-SUMWQHHRSA-N 1 0 348.403 2.124 20 5 EEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163321248 1321097175 /nfs/dbraw/zinc/09/71/75/1321097175.db2.gz CADQKRKINYONBZ-PXAZEXFGSA-N 1 0 349.387 2.095 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c2ccncc21 ZINC001163325806 1321098386 /nfs/dbraw/zinc/09/83/86/1321098386.db2.gz YWPDDWSUKABHDZ-SJKOYZFVSA-N 1 0 328.372 2.466 20 5 EEBDRO CC[NH+]1CCC(N(C)c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165067603 1321450070 /nfs/dbraw/zinc/45/00/70/1321450070.db2.gz HWXDYSWASBAFDX-RMKNXTFCSA-N 1 0 333.436 2.443 20 5 EEBDRO CC[NH+]1CCC(N(C)c2ncnc3cc(OC)c([N+](=O)[O-])cc32)CC1 ZINC001165068917 1321450154 /nfs/dbraw/zinc/45/01/54/1321450154.db2.gz YVGDLAWISBFSBV-UHFFFAOYSA-N 1 0 345.403 2.467 20 5 EEBDRO CCOC(=O)c1cnc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001165260562 1321485475 /nfs/dbraw/zinc/48/54/75/1321485475.db2.gz IIVRQAHFIRNTGS-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO CN(CCCc1ccccc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166555683 1321741637 /nfs/dbraw/zinc/74/16/37/1321741637.db2.gz NVQWPFVPCHGVDF-UHFFFAOYSA-N 1 0 327.388 2.141 20 5 EEBDRO Cc1ncccc1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001166592597 1321746454 /nfs/dbraw/zinc/74/64/54/1321746454.db2.gz RVMYEOJGGZLVQT-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351950724 1321971914 /nfs/dbraw/zinc/97/19/14/1321971914.db2.gz WUTRJUGBJLAWBA-SUMWQHHRSA-N 1 0 335.404 2.262 20 5 EEBDRO Nc1nc(NCc2c(Cl)cccc2-n2ccnc2)ncc1[N+](=O)[O-] ZINC001307126838 1331510388 /nfs/dbraw/zinc/51/03/88/1331510388.db2.gz JXHIGHKTBMUUAZ-UHFFFAOYSA-N 1 0 345.750 2.418 20 5 EEBDRO Cc1nccn1CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307196319 1331515920 /nfs/dbraw/zinc/51/59/20/1331515920.db2.gz QPDNBEUDAQOZCW-UHFFFAOYSA-N 1 0 342.315 2.090 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC001307198962 1331516583 /nfs/dbraw/zinc/51/65/83/1331516583.db2.gz URDGPZFQCPXKSL-HNNXBMFYSA-N 1 0 342.403 2.356 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(F)c1 ZINC001320619282 1332922691 /nfs/dbraw/zinc/92/26/91/1332922691.db2.gz SSGHKKGCMTWOBG-SKDRFNHKSA-N 1 0 342.758 2.296 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717990 1332940458 /nfs/dbraw/zinc/94/04/58/1332940458.db2.gz XJIIWRDBQSVRLQ-NEPJUHHUSA-N 1 0 338.360 2.043 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001324418387 1333678134 /nfs/dbraw/zinc/67/81/34/1333678134.db2.gz VIMDOKCVVMNNAR-OCCSQVGLSA-N 1 0 341.433 2.283 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001324683825 1333738377 /nfs/dbraw/zinc/73/83/77/1333738377.db2.gz HQOFTHOXCHPYJP-UHFFFAOYSA-N 1 0 339.367 2.055 20 5 EEBDRO CC[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001609190564 1351883903 /nfs/dbraw/zinc/88/39/03/1351883903.db2.gz OMKFMGUQBHFKPB-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001326029835 1334016875 /nfs/dbraw/zinc/01/68/75/1334016875.db2.gz AYUHACYXOQPJHQ-KBPBESRZSA-N 1 0 346.431 2.488 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001330666988 1334884581 /nfs/dbraw/zinc/88/45/81/1334884581.db2.gz UQXYGNYHQMPMNQ-AOOOYVTPSA-N 1 0 333.779 2.189 20 5 EEBDRO Cc1nc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001330692393 1334887716 /nfs/dbraw/zinc/88/77/16/1334887716.db2.gz MENMDWXIEIONMF-MRXNPFEDSA-N 1 0 341.415 2.446 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331274211 1334988757 /nfs/dbraw/zinc/98/87/57/1334988757.db2.gz FHYINFIAVZSBBR-LBPRGKRZSA-N 1 0 342.371 2.212 20 5 EEBDRO CC(C)([NH3+])CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001331393157 1335007057 /nfs/dbraw/zinc/00/70/57/1335007057.db2.gz ONFSDUHAEAHJTR-UHFFFAOYSA-N 1 0 337.423 2.398 20 5 EEBDRO O=C1COc2ccccc2N1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001333353530 1336017093 /nfs/dbraw/zinc/01/70/93/1336017093.db2.gz YEVBOFHXHYYKKD-UHFFFAOYSA-N 1 0 341.367 2.153 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC001333630854 1336091255 /nfs/dbraw/zinc/09/12/55/1336091255.db2.gz XEFFXTOEDMHQPL-CHWSQXEVSA-N 1 0 342.399 2.485 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001335569862 1336396242 /nfs/dbraw/zinc/39/62/42/1336396242.db2.gz WZVJFFMYTORVMF-NMFUWQPSSA-N 1 0 332.404 2.343 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001336747033 1336589387 /nfs/dbraw/zinc/58/93/87/1336589387.db2.gz ZNRURHZGBMLVPB-ZDUSSCGKSA-N 1 0 325.796 2.391 20 5 EEBDRO CCN(CCNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC001100601316 1338539111 /nfs/dbraw/zinc/53/91/11/1338539111.db2.gz AOWWDNXHESPVAH-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848491635 1338709028 /nfs/dbraw/zinc/70/90/28/1338709028.db2.gz XKFBNAGYAGOCPQ-HNNXBMFYSA-N 1 0 329.404 2.442 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC12CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])CC2 ZINC001575521064 1343816975 /nfs/dbraw/zinc/81/69/75/1343816975.db2.gz PXGPHIIRDMLWMM-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001577397051 1344140556 /nfs/dbraw/zinc/14/05/56/1344140556.db2.gz LATGGESDRZHBAT-JTQLQIEISA-N 1 0 326.372 2.047 20 5 EEBDRO CNc1nccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001578763619 1344301463 /nfs/dbraw/zinc/30/14/63/1344301463.db2.gz MCBGEBCXIZKUEJ-CQSZACIVSA-N 1 0 343.387 2.242 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[C@]3(C[NH3+])C2)c1 ZINC001579242495 1344357801 /nfs/dbraw/zinc/35/78/01/1344357801.db2.gz PUNJLAWPRMSLMX-PXAZEXFGSA-N 1 0 333.388 2.195 20 5 EEBDRO CO[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1(C)C ZINC001591357906 1349471662 /nfs/dbraw/zinc/47/16/62/1349471662.db2.gz KWCKTELZWYRRPB-AWEZNQCLSA-N 1 0 346.391 2.022 20 5 EEBDRO CSC1CC[NH+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591694086 1349531469 /nfs/dbraw/zinc/53/14/69/1349531469.db2.gz YNEYXUVYLFMABH-UHFFFAOYSA-N 1 0 334.405 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC1CC[NH+](CC2CC2)CC1 ZINC001593476510 1349810725 /nfs/dbraw/zinc/81/07/25/1349810725.db2.gz XZYJFTLGVPWSQR-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001604679192 1350983140 /nfs/dbraw/zinc/98/31/40/1350983140.db2.gz IKYIUYMBVVDICV-MNOVXSKESA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555887 1368035616 /nfs/dbraw/zinc/03/56/16/1368035616.db2.gz JUFIXWIQQOYAAZ-HZSPNIEDSA-N 1 0 336.436 2.327 20 5 EEBDRO Cn1cc(C(C)(C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000782536265 1371309094 /nfs/dbraw/zinc/30/90/94/1371309094.db2.gz SOVJATCRNVHPON-UHFFFAOYSA-N 1 0 349.366 2.321 20 5 EEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000839522182 1372907948 /nfs/dbraw/zinc/90/79/48/1372907948.db2.gz PVOIPMBAQFCTCE-INIZCTEOSA-N 1 0 337.376 2.245 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCC3CC3)c2)CC1 ZINC001355083561 1373146227 /nfs/dbraw/zinc/14/62/27/1373146227.db2.gz YAUNFLSTSZHENQ-UHFFFAOYSA-N 1 0 332.404 2.475 20 5 EEBDRO COC1(CC(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001753184811 1406703496 /nfs/dbraw/zinc/70/34/96/1406703496.db2.gz VPCKFMLNZWZQPX-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)C[NH2+]C ZINC001577657554 1403667183 /nfs/dbraw/zinc/66/71/83/1403667183.db2.gz NRAHFYSRXWEDRN-GFCCVEGCSA-N 1 0 332.408 2.165 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC001109521081 805598516 /nfs/dbraw/zinc/59/85/16/805598516.db2.gz YSGGVZWZKBFNPR-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO Cn1cc(C(=O)OCCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000919678381 770194606 /nfs/dbraw/zinc/19/46/06/770194606.db2.gz RJPZUTDFPMYQSK-UHFFFAOYSA-N 1 0 332.360 2.104 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001091346881 790390322 /nfs/dbraw/zinc/39/03/22/790390322.db2.gz ABCGOSPNPWDNTI-GASCZTMLSA-N 1 0 346.431 2.306 20 5 EEBDRO Cn1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C1CC1 ZINC000894079609 780507069 /nfs/dbraw/zinc/50/70/69/780507069.db2.gz PGYHBBBOYJSXDG-UHFFFAOYSA-N 1 0 330.392 2.239 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091462542 790902604 /nfs/dbraw/zinc/90/26/04/790902604.db2.gz REILMVJZOVYLIC-HDJSIYSDSA-N 1 0 334.420 2.242 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000816777959 784257073 /nfs/dbraw/zinc/25/70/73/784257073.db2.gz NLFXCCXLDDTGGR-KGLIPLIRSA-N 1 0 331.416 2.283 20 5 EEBDRO O=C(CCCc1cccnc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135936583 784826343 /nfs/dbraw/zinc/82/63/43/784826343.db2.gz LYGMTQSFIKMBJB-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522924 785271450 /nfs/dbraw/zinc/27/14/50/785271450.db2.gz HCIKWLWQPHRYIT-AWEZNQCLSA-N 1 0 331.775 2.419 20 5 EEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000818942880 785335048 /nfs/dbraw/zinc/33/50/48/785335048.db2.gz LIJQXNRVHSQZNK-RBUKOAKNSA-N 1 0 343.427 2.391 20 5 EEBDRO CCc1cccc(NC(=O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818990178 785355419 /nfs/dbraw/zinc/35/54/19/785355419.db2.gz YZECHKTWSNCTHV-QGZVFWFLSA-N 1 0 343.383 2.419 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818972316 785366826 /nfs/dbraw/zinc/36/68/26/785366826.db2.gz JFPVEOAUSCHYNL-SMDDNHRTSA-N 1 0 347.337 2.102 20 5 EEBDRO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212133454 785504581 /nfs/dbraw/zinc/50/45/81/785504581.db2.gz OMOCBUYHGIOKGA-QWHCGFSZSA-N 1 0 333.351 2.274 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001107201081 786350050 /nfs/dbraw/zinc/35/00/50/786350050.db2.gz JETCFBNPAXGFNO-NSCUHMNNSA-N 1 0 332.404 2.083 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000823088903 787560632 /nfs/dbraw/zinc/56/06/32/787560632.db2.gz OSMBTINFVNGVHC-OLZOCXBDSA-N 1 0 332.360 2.433 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823981387 788007430 /nfs/dbraw/zinc/00/74/30/788007430.db2.gz XBNNEJNEKWHISO-GFCCVEGCSA-N 1 0 335.408 2.276 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163863613 789037081 /nfs/dbraw/zinc/03/70/81/789037081.db2.gz FJQSUMCEXAJYLZ-NSHDSACASA-N 1 0 347.412 2.051 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923436569 789549710 /nfs/dbraw/zinc/54/97/10/789549710.db2.gz PCKBQOAEHKHTRU-DCAQKATOSA-N 1 0 340.811 2.257 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923441391 789567486 /nfs/dbraw/zinc/56/74/86/789567486.db2.gz KEASJWJTWWKJFY-DCAQKATOSA-N 1 0 340.811 2.257 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172902798 791790789 /nfs/dbraw/zinc/79/07/89/791790789.db2.gz BYCVMWICBLBSHC-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000716196954 795615456 /nfs/dbraw/zinc/61/54/56/795615456.db2.gz GMNJZIKNLMELGR-RBUKOAKNSA-N 1 0 341.411 2.492 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC001094019995 795872826 /nfs/dbraw/zinc/87/28/26/795872826.db2.gz IEUKPOHNTOQHAP-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO CNC(=O)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907713 797133153 /nfs/dbraw/zinc/13/31/53/797133153.db2.gz HSVKAIVAFDURMQ-INIZCTEOSA-N 1 0 331.416 2.300 20 5 EEBDRO O=C1NCC[C@@]12CCC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172907710 797133473 /nfs/dbraw/zinc/13/34/73/797133473.db2.gz LMVCTBIRMGGHEI-QFBILLFUSA-N 1 0 343.427 2.444 20 5 EEBDRO CNC(=O)NC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913650 797148292 /nfs/dbraw/zinc/14/82/92/797148292.db2.gz SXZZDDMOJFIODS-MRXNPFEDSA-N 1 0 346.431 2.236 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1F ZINC001173175346 797276446 /nfs/dbraw/zinc/27/64/46/797276446.db2.gz ALTPDUDQZNRQOL-TUAOUCFPSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1F ZINC001173178143 797278130 /nfs/dbraw/zinc/27/81/30/797278130.db2.gz AIUFIFSLHOVXQC-RDDDGLTNSA-N 1 0 340.273 2.186 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[N@H+](C)CC2)c1F ZINC001173182623 797280636 /nfs/dbraw/zinc/28/06/36/797280636.db2.gz IFKWUWWOQRWSPQ-GFCCVEGCSA-N 1 0 325.384 2.311 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001173231794 797312110 /nfs/dbraw/zinc/31/21/10/797312110.db2.gz DDTHWNXNKKZZEP-ZDUSSCGKSA-N 1 0 333.388 2.442 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000917052838 798036952 /nfs/dbraw/zinc/03/69/52/798036952.db2.gz RCLUQIQMXJMAFK-MRXNPFEDSA-N 1 0 337.395 2.421 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1=COCCC1 ZINC001002426682 798064606 /nfs/dbraw/zinc/06/46/06/798064606.db2.gz GOJJRNAJQVWTCP-UHFFFAOYSA-N 1 0 345.399 2.370 20 5 EEBDRO Cc1nc(NC2(CNC(=O)CCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001110187385 798145069 /nfs/dbraw/zinc/14/50/69/798145069.db2.gz CJDKKLFECQBPDN-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1c(F)cnc(-n2nc(-c3ccccc3)nc2CC[NH3+])c1[N+](=O)[O-] ZINC001168706324 799487071 /nfs/dbraw/zinc/48/70/71/799487071.db2.gz FPPOJGRHPNDZOZ-UHFFFAOYSA-N 1 0 342.334 2.186 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)c1 ZINC001168845580 803479430 /nfs/dbraw/zinc/47/94/30/803479430.db2.gz BNSODHNLRYDUKJ-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001168976310 803542290 /nfs/dbraw/zinc/54/22/90/803542290.db2.gz CNSCSERKFORBBK-QWHCGFSZSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967596 803553340 /nfs/dbraw/zinc/55/33/40/803553340.db2.gz RBSMUKKPPANQMP-RDBSUJKOSA-N 1 0 327.425 2.421 20 5 EEBDRO COc1ccc(Cn2cncc2C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168996546 803562494 /nfs/dbraw/zinc/56/24/94/803562494.db2.gz VVNIJFCXXANGQZ-HOTGVXAUSA-N 1 0 344.415 2.475 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN1C(=O)OC(C)(C)C ZINC001168997370 803563160 /nfs/dbraw/zinc/56/31/60/803563160.db2.gz YXJFEUPUAZIVTD-XJFOESAGSA-N 1 0 327.425 2.419 20 5 EEBDRO O=C1CC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168989872 803573531 /nfs/dbraw/zinc/57/35/31/803573531.db2.gz XMTLWRLNCZPOIG-KURKYZTESA-N 1 0 345.443 2.460 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncccc1F ZINC001169158765 803640401 /nfs/dbraw/zinc/64/04/01/803640401.db2.gz BCSRYGFQPYLCEY-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO [NH3+]Cc1cccc2c1cnn2-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001169189632 803644864 /nfs/dbraw/zinc/64/48/64/803644864.db2.gz ZUEPWSDFZOCQED-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO COc1cc([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)cc1F ZINC001169242660 803667018 /nfs/dbraw/zinc/66/70/18/803667018.db2.gz RTPFDJDVERGXJV-UHFFFAOYSA-N 1 0 335.339 2.044 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157265580 807196913 /nfs/dbraw/zinc/19/69/13/807196913.db2.gz JPVQEFLKCPAQLX-HTQZYQBOSA-N 1 0 332.191 2.222 20 5 EEBDRO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629028 807614797 /nfs/dbraw/zinc/61/47/97/807614797.db2.gz QKIJKYHSHQGLPE-JTQLQIEISA-N 1 0 336.392 2.447 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC001170295210 809869006 /nfs/dbraw/zinc/86/90/06/809869006.db2.gz BARILHNEMRCILU-LBPRGKRZSA-N 1 0 335.404 2.183 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001170297700 809870550 /nfs/dbraw/zinc/87/05/50/809870550.db2.gz QTAODWCAJDCLJC-CYBMUJFWSA-N 1 0 335.404 2.137 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])O1 ZINC001170281622 809877933 /nfs/dbraw/zinc/87/79/33/809877933.db2.gz GLWZRJDTVVYWCL-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170319669 809888613 /nfs/dbraw/zinc/88/86/13/809888613.db2.gz YLFPDVIZQHKYSU-ZFWWWQNUSA-N 1 0 349.431 2.381 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C2(C(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC001170309766 809901084 /nfs/dbraw/zinc/90/10/84/809901084.db2.gz SPHKIPDLLNHRPK-LBPRGKRZSA-N 1 0 335.404 2.312 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn2c1CCCC2 ZINC001129700548 810961932 /nfs/dbraw/zinc/96/19/32/810961932.db2.gz IIHHTSQDSDFTHN-UHFFFAOYSA-N 1 0 342.399 2.252 20 5 EEBDRO CCc1cccnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130625502 811855734 /nfs/dbraw/zinc/85/57/34/811855734.db2.gz BHFGXEUUWKHMNL-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCOCCOCC[NH3+] ZINC001170513698 812033329 /nfs/dbraw/zinc/03/33/29/812033329.db2.gz WBQZDNYRTZDRIK-UHFFFAOYSA-N 1 0 341.408 2.094 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CO)C(C)(C)C ZINC000181771963 529871384 /nfs/dbraw/zinc/87/13/84/529871384.db2.gz NWEACXWJGJBADQ-AWEZNQCLSA-N 1 0 341.383 2.401 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000151030123 290809351 /nfs/dbraw/zinc/80/93/51/290809351.db2.gz PMKWEDWNRVXMIN-ZYHUDNBSSA-N 1 0 341.795 2.226 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068204008 215289986 /nfs/dbraw/zinc/28/99/86/215289986.db2.gz LFQRGEXAKLZVCI-HUUCEWRRSA-N 1 0 348.447 2.491 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069849231 215607809 /nfs/dbraw/zinc/60/78/09/215607809.db2.gz NAYPNWZTBXPWOT-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO NC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150889412 283378095 /nfs/dbraw/zinc/37/80/95/283378095.db2.gz NDNWBBNPHUXQAH-AWEZNQCLSA-N 1 0 332.404 2.148 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000420597052 283386346 /nfs/dbraw/zinc/38/63/46/283386346.db2.gz IAEJHFLRDLLHDB-CYBMUJFWSA-N 1 0 332.404 2.148 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000193863419 240339256 /nfs/dbraw/zinc/33/92/56/240339256.db2.gz OQDRMXOSKLWIHK-GFCCVEGCSA-N 1 0 337.332 2.088 20 5 EEBDRO O=C(CCC1CC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194589097 240638941 /nfs/dbraw/zinc/63/89/41/240638941.db2.gz VHWUCNKDLUHKDJ-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CCCCCC1 ZINC000237995035 242890054 /nfs/dbraw/zinc/89/00/54/242890054.db2.gz LKVZNBRHEBSEAN-UHFFFAOYSA-N 1 0 335.404 2.402 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000451492370 243132557 /nfs/dbraw/zinc/13/25/57/243132557.db2.gz OIBHFFMLTBTIOP-DJIMGWMZSA-N 1 0 345.399 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451498300 243134308 /nfs/dbraw/zinc/13/43/08/243134308.db2.gz XFOHPLKPLDCWNZ-IAOVAPTHSA-N 1 0 345.399 2.389 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452134800 243351589 /nfs/dbraw/zinc/35/15/89/243351589.db2.gz VCHYXEJIJGBGTH-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H](CCCc1cccnc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459644775 245196868 /nfs/dbraw/zinc/19/68/68/245196868.db2.gz XWSMAJQKBHDHEA-CQSZACIVSA-N 1 0 330.388 2.153 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000459789885 245249373 /nfs/dbraw/zinc/24/93/73/245249373.db2.gz MDOXYFJEOAZGPU-LBPRGKRZSA-N 1 0 331.376 2.316 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000110992712 220088252 /nfs/dbraw/zinc/08/82/52/220088252.db2.gz CHQDLLCUZRNXQV-LBPRGKRZSA-N 1 0 339.367 2.103 20 5 EEBDRO O=C(C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000079930116 217266250 /nfs/dbraw/zinc/26/62/50/217266250.db2.gz MWPNYHHBNMZTHE-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264156892 246119927 /nfs/dbraw/zinc/11/99/27/246119927.db2.gz XJJHFDLZTRTQRP-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265103328 247204820 /nfs/dbraw/zinc/20/48/20/247204820.db2.gz YGDLMDQCWKTPGN-HNNXBMFYSA-N 1 0 334.372 2.249 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265901416 247907141 /nfs/dbraw/zinc/90/71/41/247907141.db2.gz DVDMTZGUNUITHZ-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065882 248072443 /nfs/dbraw/zinc/07/24/43/248072443.db2.gz WPCZVPARPGOKFC-BSLXNSKLSA-N 1 0 333.388 2.325 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000266364525 248266106 /nfs/dbraw/zinc/26/61/06/248266106.db2.gz FQNJEYQFGNNQBT-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]2CCCCN12 ZINC000338032958 284843284 /nfs/dbraw/zinc/84/32/84/284843284.db2.gz XHUGUYUGKZJNLU-LXTVHRRPSA-N 1 0 347.419 2.018 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1F ZINC000097235692 219002083 /nfs/dbraw/zinc/00/20/83/219002083.db2.gz HRTKPMWZQPJDFC-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1[NH+](C)C ZINC000270501364 256141649 /nfs/dbraw/zinc/14/16/49/256141649.db2.gz PTYBHDNWQNLNIX-JQWIXIFHSA-N 1 0 329.447 2.082 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000268126613 256115949 /nfs/dbraw/zinc/11/59/49/256115949.db2.gz DABPIYCOYSCYAO-TZMCWYRMSA-N 1 0 328.372 2.316 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270745913 256167100 /nfs/dbraw/zinc/16/71/00/256167100.db2.gz WKQQULZSGSNDOD-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000270524870 256144173 /nfs/dbraw/zinc/14/41/73/256144173.db2.gz NJPIZXMBKQFJSK-INIZCTEOSA-N 1 0 332.404 2.017 20 5 EEBDRO COc1ccc(NC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000272880636 256246076 /nfs/dbraw/zinc/24/60/76/256246076.db2.gz WPVRJQNSCFWVGI-UHFFFAOYSA-N 1 0 336.392 2.409 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000273264353 256282191 /nfs/dbraw/zinc/28/21/91/256282191.db2.gz FHWDEUFDJACRQJ-LLVKDONJSA-N 1 0 347.375 2.016 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276044758 256398015 /nfs/dbraw/zinc/39/80/15/256398015.db2.gz HERMRKKOEVQFNN-TZMCWYRMSA-N 1 0 339.417 2.037 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645730 292139855 /nfs/dbraw/zinc/13/98/55/292139855.db2.gz GFEKJAVIQNTWDI-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO CCOc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000262594691 152296125 /nfs/dbraw/zinc/29/61/25/152296125.db2.gz WZFQFTCLPBLEPN-UHFFFAOYSA-N 1 0 339.392 2.059 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000359503367 153404578 /nfs/dbraw/zinc/40/45/78/153404578.db2.gz WPORBMQHLQNTCR-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069534441 159029131 /nfs/dbraw/zinc/02/91/31/159029131.db2.gz ZFIYMJSQGBBJED-SECBINFHSA-N 1 0 336.348 2.024 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000089636003 159183078 /nfs/dbraw/zinc/18/30/78/159183078.db2.gz GIBJBGNHWQVDKG-NEPJUHHUSA-N 1 0 344.433 2.467 20 5 EEBDRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000194939578 160203327 /nfs/dbraw/zinc/20/33/27/160203327.db2.gz UHOZRBJXEUECPN-ZDUSSCGKSA-N 1 0 331.376 2.423 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000237777879 160224783 /nfs/dbraw/zinc/22/47/83/160224783.db2.gz LYJPEKKOWFLITP-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411736 160233424 /nfs/dbraw/zinc/23/34/24/160233424.db2.gz YFKFNUYMWVZWCP-CVEARBPZSA-N 1 0 335.452 2.378 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000246234418 160269563 /nfs/dbraw/zinc/26/95/63/160269563.db2.gz QQIDIFDZFZOUME-GHMZBOCLSA-N 1 0 347.375 2.020 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342419969 161063801 /nfs/dbraw/zinc/06/38/01/161063801.db2.gz RXWFQGLNMBOVGB-CYBMUJFWSA-N 1 0 330.388 2.184 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000344077651 161196475 /nfs/dbraw/zinc/19/64/75/161196475.db2.gz WRBROGFTYDNZIG-USXIJHARSA-N 1 0 347.415 2.340 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCC(F)(F)F ZINC000344844819 161250514 /nfs/dbraw/zinc/25/05/14/161250514.db2.gz CNHKHDGSRPHKBZ-YHYXMXQVSA-N 1 0 331.294 2.266 20 5 EEBDRO COc1cc(CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000346081959 161355635 /nfs/dbraw/zinc/35/56/35/161355635.db2.gz PUNRPTVIHJEEOF-NSHDSACASA-N 1 0 345.346 2.170 20 5 EEBDRO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000150832316 292466757 /nfs/dbraw/zinc/46/67/57/292466757.db2.gz FBSJRNAABTWLSA-AWEZNQCLSA-N 1 0 349.435 2.003 20 5 EEBDRO COc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000355031409 163057713 /nfs/dbraw/zinc/05/77/13/163057713.db2.gz ACZAVUHVOLVYDP-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CN(CC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000358889067 164009519 /nfs/dbraw/zinc/00/95/19/164009519.db2.gz SODMQTBNUXVDPM-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(F)cc1[N+](=O)[O-] ZINC000359892782 164192130 /nfs/dbraw/zinc/19/21/30/164192130.db2.gz BCQZJJGUPBDCRS-GFCCVEGCSA-N 1 0 338.383 2.042 20 5 EEBDRO CCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000360869182 164393712 /nfs/dbraw/zinc/39/37/12/164393712.db2.gz BIEIGQORPUKOOT-MRXNPFEDSA-N 1 0 347.415 2.140 20 5 EEBDRO Cc1c(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000362315537 164640777 /nfs/dbraw/zinc/64/07/77/164640777.db2.gz APBPLJCRJFLTTR-KRWDZBQOSA-N 1 0 349.431 2.313 20 5 EEBDRO COCC[C@]1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000364870589 165302375 /nfs/dbraw/zinc/30/23/75/165302375.db2.gz UZYWFHRIXNOJGT-SUMWQHHRSA-N 1 0 335.404 2.097 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000368717903 166115825 /nfs/dbraw/zinc/11/58/25/166115825.db2.gz CRUPPYRTPRQMQV-VIFPVBQESA-N 1 0 342.193 2.229 20 5 EEBDRO C[C@H]1OCC[C@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000369407344 166254305 /nfs/dbraw/zinc/25/43/05/166254305.db2.gz GQKONDNUNAEAQO-CPUCHLNUSA-N 1 0 336.388 2.242 20 5 EEBDRO CCC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000375652468 167175201 /nfs/dbraw/zinc/17/52/01/167175201.db2.gz BTPSBBLXFSPZTF-KGLIPLIRSA-N 1 0 333.388 2.463 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000375961400 167236024 /nfs/dbraw/zinc/23/60/24/167236024.db2.gz BPUVCFMZHDJHKU-MRXNPFEDSA-N 1 0 341.367 2.220 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122423853 222084187 /nfs/dbraw/zinc/08/41/87/222084187.db2.gz DJHUJYFSWRVQHB-OKILXGFUSA-N 1 0 335.404 2.132 20 5 EEBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC000272643901 269003118 /nfs/dbraw/zinc/00/31/18/269003118.db2.gz CYKPRFZWVNBKNW-GFCCVEGCSA-N 1 0 342.399 2.385 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1CC(C)(C)O ZINC000275454154 269116993 /nfs/dbraw/zinc/11/69/93/269116993.db2.gz HATJHVKLNTWJQL-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000277938725 269199326 /nfs/dbraw/zinc/19/93/26/269199326.db2.gz KMDIKJFZUXYYSL-UHFFFAOYSA-N 1 0 325.413 2.074 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278691333 269240393 /nfs/dbraw/zinc/24/03/93/269240393.db2.gz ZKIQSGVSUIRJDD-KRWDZBQOSA-N 1 0 343.383 2.048 20 5 EEBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279907756 269314872 /nfs/dbraw/zinc/31/48/72/269314872.db2.gz VLFSJFCGTGHHAI-DZGCQCFKSA-N 1 0 347.415 2.109 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000280852828 269393469 /nfs/dbraw/zinc/39/34/69/269393469.db2.gz CQVFZEZRMGDORF-RHSMWYFYSA-N 1 0 347.415 2.225 20 5 EEBDRO Cc1c(CC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000194770862 274072244 /nfs/dbraw/zinc/07/22/44/274072244.db2.gz NQJDILDKDRKQDN-OKILXGFUSA-N 1 0 349.431 2.013 20 5 EEBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000253190655 274304894 /nfs/dbraw/zinc/30/48/94/274304894.db2.gz LKFUVFRHKOBTEA-RKDXNWHRSA-N 1 0 329.198 2.173 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278589084 274378282 /nfs/dbraw/zinc/37/82/82/274378282.db2.gz QLINFIUCEIFCMB-PPYMECGQSA-N 1 0 347.415 2.225 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)n1 ZINC000281044290 274625313 /nfs/dbraw/zinc/62/53/13/274625313.db2.gz WBMQDBCLYADTBU-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000285694519 274776657 /nfs/dbraw/zinc/77/66/57/274776657.db2.gz QUKUMAAQABDUCN-UHFFFAOYSA-N 1 0 342.193 2.052 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952471 274921274 /nfs/dbraw/zinc/92/12/74/274921274.db2.gz FOZRXAVCPUHJFR-ABAIWWIYSA-N 1 0 348.359 2.202 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288487782 275063392 /nfs/dbraw/zinc/06/33/92/275063392.db2.gz RIKNWAUSBQBDLH-HIFRSBDPSA-N 1 0 346.431 2.360 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579235 275072010 /nfs/dbraw/zinc/07/20/10/275072010.db2.gz XHNNXHFYJBFSLO-GHMZBOCLSA-N 1 0 336.367 2.015 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000450858244 276300660 /nfs/dbraw/zinc/30/06/60/276300660.db2.gz LCTKUBFQYUMUCM-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136732671 279038530 /nfs/dbraw/zinc/03/85/30/279038530.db2.gz WGWSSAVSPQYTHB-CYBMUJFWSA-N 1 0 344.415 2.419 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293070028 293116840 /nfs/dbraw/zinc/11/68/40/293116840.db2.gz VIRDIGBFQLNQBB-BBRMVZONSA-N 1 0 345.403 2.385 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1C ZINC000293884058 293318721 /nfs/dbraw/zinc/31/87/21/293318721.db2.gz FZCQCVQVJPRLDC-SFHVURJKSA-N 1 0 347.415 2.470 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[NH+]1CCC(O)CC1 ZINC000295963403 293858248 /nfs/dbraw/zinc/85/82/48/293858248.db2.gz JPSWLUMYZJHSTL-UHFFFAOYSA-N 1 0 344.209 2.226 20 5 EEBDRO CN(CC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000297237856 294189204 /nfs/dbraw/zinc/18/92/04/294189204.db2.gz SDPFHLIOMGLRJG-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO Cc1nc(N(CC[NH+](C)C)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000297587932 294288417 /nfs/dbraw/zinc/28/84/17/294288417.db2.gz TXXAIEAGDUPDFX-UHFFFAOYSA-N 1 0 333.367 2.401 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237904743 295248757 /nfs/dbraw/zinc/24/87/57/295248757.db2.gz KJXBOCUWYJQNKL-ONGXEEELSA-N 1 0 347.824 2.044 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000334079824 312237051 /nfs/dbraw/zinc/23/70/51/312237051.db2.gz NAULRCRYAAUQEV-UPJWGTAASA-N 1 0 335.404 2.397 20 5 EEBDRO CCOc1cc(C(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000411099865 312503757 /nfs/dbraw/zinc/50/37/57/312503757.db2.gz NBPZWRIVCOSHOA-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000414560245 313041623 /nfs/dbraw/zinc/04/16/23/313041623.db2.gz WQYSNBGRYHPRRN-UHFFFAOYSA-N 1 0 330.381 2.038 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415489151 313129880 /nfs/dbraw/zinc/12/98/80/313129880.db2.gz WOGHQWOJDISWLG-AAEUAGOBSA-N 1 0 336.392 2.446 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000417999324 313682997 /nfs/dbraw/zinc/68/29/97/313682997.db2.gz WEJKGVIEYDDUOC-MNOVXSKESA-N 1 0 340.811 2.183 20 5 EEBDRO C[C@@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC000418519105 313835877 /nfs/dbraw/zinc/83/58/77/313835877.db2.gz NWZJAODTWGUUOK-QGZVFWFLSA-N 1 0 332.404 2.052 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1C ZINC000420449124 313962481 /nfs/dbraw/zinc/96/24/81/313962481.db2.gz SNYXGSKESPLBIM-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO CC(=O)N[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420947825 314007120 /nfs/dbraw/zinc/00/71/20/314007120.db2.gz DCLGKJDRJSREAL-CQSZACIVSA-N 1 0 344.371 2.003 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@H](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421015966 314025725 /nfs/dbraw/zinc/02/57/25/314025725.db2.gz LWPMYTSWSPWWKG-AWEZNQCLSA-N 1 0 335.404 2.042 20 5 EEBDRO Cc1c(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421017445 314026722 /nfs/dbraw/zinc/02/67/22/314026722.db2.gz ZQTVJTURIKZEHX-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)CC2)c2c(c1)COCO2 ZINC000421028453 314031056 /nfs/dbraw/zinc/03/10/56/314031056.db2.gz ADPGJXNGMCADEJ-ZDUSSCGKSA-N 1 0 336.388 2.446 20 5 EEBDRO C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C[NH3+] ZINC000430572531 314548848 /nfs/dbraw/zinc/54/88/48/314548848.db2.gz KFOXYIFCIWDMBS-RISCZKNCSA-N 1 0 331.376 2.204 20 5 EEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121284 315274795 /nfs/dbraw/zinc/27/47/95/315274795.db2.gz HNZHJJQIUUXWCW-YJBOKZPZSA-N 1 0 347.415 2.012 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000524720413 317024088 /nfs/dbraw/zinc/02/40/88/317024088.db2.gz PEHVRDTVMVIJCI-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858536 318575941 /nfs/dbraw/zinc/57/59/41/318575941.db2.gz USYNDHBSMTYHNA-UHFFFAOYSA-N 1 0 331.376 2.042 20 5 EEBDRO CSc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000567262195 319364336 /nfs/dbraw/zinc/36/43/36/319364336.db2.gz GBICSIUTIWXSET-CYBMUJFWSA-N 1 0 349.412 2.241 20 5 EEBDRO C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000576029778 320134836 /nfs/dbraw/zinc/13/48/36/320134836.db2.gz ALHMPZQEOKJIRJ-WMZOPIPTSA-N 1 0 344.415 2.036 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000576839262 320209518 /nfs/dbraw/zinc/20/95/18/320209518.db2.gz WQBATVUBJYQOKR-TXEJJXNPSA-N 1 0 331.372 2.169 20 5 EEBDRO C[NH+](C)[C@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706872 449389556 /nfs/dbraw/zinc/38/95/56/449389556.db2.gz HMWHECOJPMAKCX-HNNXBMFYSA-N 1 0 333.417 2.387 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000067708878 463040492 /nfs/dbraw/zinc/04/04/92/463040492.db2.gz DRXPUPUHSOTJIK-HNNXBMFYSA-N 1 0 348.428 2.487 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255078370 465024910 /nfs/dbraw/zinc/02/49/10/465024910.db2.gz XEIAXGICYKRQHK-KVPUOBJLSA-N 1 0 335.404 2.081 20 5 EEBDRO CNc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000326429597 465038041 /nfs/dbraw/zinc/03/80/41/465038041.db2.gz OKGYAZZKDHPFDV-JSGCOSHPSA-N 1 0 332.404 2.193 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000341291264 465095036 /nfs/dbraw/zinc/09/50/36/465095036.db2.gz VIQCGJVRJBFVAQ-NFAWXSAZSA-N 1 0 334.420 2.384 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000358474704 465147399 /nfs/dbraw/zinc/14/73/99/465147399.db2.gz YRCDIFVRXPUJLF-CZUORRHYSA-N 1 0 335.379 2.219 20 5 EEBDRO CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354793583 465158704 /nfs/dbraw/zinc/15/87/04/465158704.db2.gz QZXXKKAQFFUSRG-CQSZACIVSA-N 1 0 343.387 2.055 20 5 EEBDRO Cn1cc(CN2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859860 465197201 /nfs/dbraw/zinc/19/72/01/465197201.db2.gz CRWRJZHQZCWBNN-DOTOQJQBSA-N 1 0 347.394 2.031 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296524793 465223681 /nfs/dbraw/zinc/22/36/81/465223681.db2.gz CKYKWAWYBFTKLL-UHFFFAOYSA-N 1 0 335.404 2.358 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000358621341 465226618 /nfs/dbraw/zinc/22/66/18/465226618.db2.gz VCNXFJXIBLDFSS-UHFFFAOYSA-N 1 0 331.420 2.329 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000298506691 465415689 /nfs/dbraw/zinc/41/56/89/465415689.db2.gz JUWQPDBKZKAUEZ-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000063645947 462659889 /nfs/dbraw/zinc/65/98/89/462659889.db2.gz SRMQXAOBSDOWLY-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000114675969 462669524 /nfs/dbraw/zinc/66/95/24/462669524.db2.gz XWTJGADRIKAVET-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000063758559 462670530 /nfs/dbraw/zinc/67/05/30/462670530.db2.gz FFNPGADCCVKUKK-CYBMUJFWSA-N 1 0 334.420 2.419 20 5 EEBDRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075768157 462758056 /nfs/dbraw/zinc/75/80/56/462758056.db2.gz IDSNDDFOHSHQMY-WBVHZDCISA-N 1 0 332.404 2.105 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000117796504 462813087 /nfs/dbraw/zinc/81/30/87/462813087.db2.gz GVSWOBHCQZVSAT-CYBMUJFWSA-N 1 0 337.807 2.391 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000119801344 462929092 /nfs/dbraw/zinc/92/90/92/462929092.db2.gz KQSAZXOUHCNOAE-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067142438 462969223 /nfs/dbraw/zinc/96/92/23/462969223.db2.gz DDCOCLMCAHBNRY-ZIAGYGMSSA-N 1 0 335.404 2.132 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000067233525 462983066 /nfs/dbraw/zinc/98/30/66/462983066.db2.gz BHBUBGFFFIBJEV-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000156271518 463000427 /nfs/dbraw/zinc/00/04/27/463000427.db2.gz GKUKOONPBMAHJE-AAEUAGOBSA-N 1 0 332.404 2.369 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067684807 463036961 /nfs/dbraw/zinc/03/69/61/463036961.db2.gz XCWKQIASVKZQPC-HNNXBMFYSA-N 1 0 334.420 2.167 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068467503 463140428 /nfs/dbraw/zinc/14/04/28/463140428.db2.gz RWHNIXHGGDCNBH-CYBMUJFWSA-N 1 0 342.399 2.150 20 5 EEBDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000027777687 463203449 /nfs/dbraw/zinc/20/34/49/463203449.db2.gz HREVFMGPPPSXEW-UHFFFAOYSA-N 1 0 345.321 2.485 20 5 EEBDRO COc1ccc(CC(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000069575472 463279421 /nfs/dbraw/zinc/27/94/21/463279421.db2.gz SJCGJMZLYAKZNF-AWEZNQCLSA-N 1 0 335.404 2.089 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCSC ZINC000138267840 463306555 /nfs/dbraw/zinc/30/65/55/463306555.db2.gz CVSLLUFMNNNPEV-UHFFFAOYSA-N 1 0 327.406 2.227 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000055376342 463313166 /nfs/dbraw/zinc/31/31/66/463313166.db2.gz BDVGOWRUYGQJIU-CHWSQXEVSA-N 1 0 336.392 2.216 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000160396200 463334455 /nfs/dbraw/zinc/33/44/55/463334455.db2.gz PSEVBQGKFSQPOC-CQSZACIVSA-N 1 0 348.447 2.106 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141858679 463356342 /nfs/dbraw/zinc/35/63/42/463356342.db2.gz KIEBPOHJMSCFRU-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000097617158 463361264 /nfs/dbraw/zinc/36/12/64/463361264.db2.gz LUBMGUDHHMJRSQ-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150795841 463429756 /nfs/dbraw/zinc/42/97/56/463429756.db2.gz RPBSXVRGCZMTMJ-HUUCEWRRSA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169282 463488437 /nfs/dbraw/zinc/48/84/37/463488437.db2.gz ZBCZBYIZQWNGRS-VPWBDBDCSA-N 1 0 333.388 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NCC3CC[NH+](CCO)CC3)ccc2c1 ZINC000108947249 463630540 /nfs/dbraw/zinc/63/05/40/463630540.db2.gz YJBRBABMWPWARL-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000059389286 463643502 /nfs/dbraw/zinc/64/35/02/463643502.db2.gz SGXZALAVFCYMJV-CYBMUJFWSA-N 1 0 334.420 2.235 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170743568 463701935 /nfs/dbraw/zinc/70/19/35/463701935.db2.gz FMBUTMWAKPNATE-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000112657746 463705586 /nfs/dbraw/zinc/70/55/86/463705586.db2.gz KIVBJBXHZDZLLF-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO CCOc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000276870550 463789155 /nfs/dbraw/zinc/78/91/55/463789155.db2.gz HODWFSXCMRRNRS-INIZCTEOSA-N 1 0 349.431 2.148 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261742111 463845302 /nfs/dbraw/zinc/84/53/02/463845302.db2.gz IMZOEDXAKPLXDO-BETUJISGSA-N 1 0 337.807 2.249 20 5 EEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000261789327 463859838 /nfs/dbraw/zinc/85/98/38/463859838.db2.gz LUSNOUDOXJAGJM-GXFFZTMASA-N 1 0 325.796 2.377 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000287310091 463865380 /nfs/dbraw/zinc/86/53/80/463865380.db2.gz NEIJSYGVRDOCSH-ZDUSSCGKSA-N 1 0 335.404 2.468 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[C@H]1CCC[N@@H+]1C ZINC000185730792 463870377 /nfs/dbraw/zinc/87/03/77/463870377.db2.gz XBXLQABBMIUTFW-LLVKDONJSA-N 1 0 348.428 2.418 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262038727 463931724 /nfs/dbraw/zinc/93/17/24/463931724.db2.gz FZPIFTACSZPZBN-CHWSQXEVSA-N 1 0 343.387 2.028 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269332203 463954829 /nfs/dbraw/zinc/95/48/29/463954829.db2.gz APQUSHQFYSYDIN-VXGBXAGGSA-N 1 0 335.408 2.140 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000283828728 464023766 /nfs/dbraw/zinc/02/37/66/464023766.db2.gz GDGUWYXNGGJKMU-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000269771091 464088331 /nfs/dbraw/zinc/08/83/31/464088331.db2.gz BAFNBXHMBKCXOF-FZMZJTMJSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@H]1CCSCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347155 464091056 /nfs/dbraw/zinc/09/10/56/464091056.db2.gz VFRRTVCWBHNIFE-STQMWFEESA-N 1 0 326.418 2.162 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188430238 464278714 /nfs/dbraw/zinc/27/87/14/464278714.db2.gz FVRQNTOPBUMALM-UHFFFAOYSA-N 1 0 343.387 2.014 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CC(=O)NCC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000281006492 464296963 /nfs/dbraw/zinc/29/69/63/464296963.db2.gz YCLLSWYZBFZCIQ-LBPRGKRZSA-N 1 0 327.331 2.288 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237407572 464315462 /nfs/dbraw/zinc/31/54/62/464315462.db2.gz OWBMPAJTJZAZJN-ZIAGYGMSSA-N 1 0 334.420 2.373 20 5 EEBDRO CCCC[N@H+](CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264553384 464370684 /nfs/dbraw/zinc/37/06/84/464370684.db2.gz KAHHSSGSNGQRHO-OAHLLOKOSA-N 1 0 326.393 2.083 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264625937 464399819 /nfs/dbraw/zinc/39/98/19/464399819.db2.gz SOOXNNBTCNFQPA-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000188936874 464401624 /nfs/dbraw/zinc/40/16/24/464401624.db2.gz AJTGMVPVYVMENV-NSHDSACASA-N 1 0 325.340 2.173 20 5 EEBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000285017745 464428090 /nfs/dbraw/zinc/42/80/90/464428090.db2.gz HISFORYOORSYHV-KGLIPLIRSA-N 1 0 326.418 2.083 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000238081876 464430267 /nfs/dbraw/zinc/43/02/67/464430267.db2.gz CJKDIHSOECYURT-ZDUSSCGKSA-N 1 0 332.404 2.006 20 5 EEBDRO Cc1n[nH]c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000264753076 464450827 /nfs/dbraw/zinc/45/08/27/464450827.db2.gz LUPZLAPZBDXGAY-UHFFFAOYSA-N 1 0 345.403 2.397 20 5 EEBDRO COC(=O)c1cnc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000189385885 464490820 /nfs/dbraw/zinc/49/08/20/464490820.db2.gz ANVIHXKHPLVDSZ-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272138108 464493136 /nfs/dbraw/zinc/49/31/36/464493136.db2.gz ASKSJZQOHGQPCN-BLLLJJGKSA-N 1 0 333.388 2.302 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000285358213 464536741 /nfs/dbraw/zinc/53/67/41/464536741.db2.gz BKQHLJVTTWTFPY-HNNXBMFYSA-N 1 0 332.404 2.365 20 5 EEBDRO CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000175440242 464550323 /nfs/dbraw/zinc/55/03/23/464550323.db2.gz MBLGISWAENQPAP-UHFFFAOYSA-N 1 0 349.434 2.365 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000281931042 464638395 /nfs/dbraw/zinc/63/83/95/464638395.db2.gz AYZNIYNNUXSREX-GUTXKFCHSA-N 1 0 337.395 2.370 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294940776 464655917 /nfs/dbraw/zinc/65/59/17/464655917.db2.gz MPWKARKVRBGOBJ-LLVKDONJSA-N 1 0 331.376 2.055 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000272570050 464662462 /nfs/dbraw/zinc/66/24/62/464662462.db2.gz FQXWBRYQDUVPQP-ZBEGNZNMSA-N 1 0 328.372 2.242 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000175980741 464672680 /nfs/dbraw/zinc/67/26/80/464672680.db2.gz LZGYZHWCYXZTHD-HNNXBMFYSA-N 1 0 334.420 2.417 20 5 EEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000295054779 464690434 /nfs/dbraw/zinc/69/04/34/464690434.db2.gz BKCDUBZYUIPATP-NSHDSACASA-N 1 0 339.392 2.023 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000295181512 464736196 /nfs/dbraw/zinc/73/61/96/464736196.db2.gz HPYLDDCSPSYQOW-AWEZNQCLSA-N 1 0 337.423 2.398 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406615 464749651 /nfs/dbraw/zinc/74/96/51/464749651.db2.gz SPOFFBHUIBRCAW-UPJWGTAASA-N 1 0 335.408 2.478 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075889 464794854 /nfs/dbraw/zinc/79/48/54/464794854.db2.gz JWFGREZPOFDCIM-PWSUYJOCSA-N 1 0 341.795 2.327 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276258346 464867153 /nfs/dbraw/zinc/86/71/53/464867153.db2.gz ARUFRDFXKZWKKZ-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940546 465018015 /nfs/dbraw/zinc/01/80/15/465018015.db2.gz IDDMRMSVKKJZTR-IAGOWNOFSA-N 1 0 347.415 2.199 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192993114 465020710 /nfs/dbraw/zinc/02/07/10/465020710.db2.gz REGLBFJJAIAQIA-ABAIWWIYSA-N 1 0 326.418 2.385 20 5 EEBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000554600360 468429164 /nfs/dbraw/zinc/42/91/64/468429164.db2.gz QMBYLGIMXLBPSV-ZDUSSCGKSA-N 1 0 349.387 2.270 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@H](C)[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000339627247 465399411 /nfs/dbraw/zinc/39/94/11/465399411.db2.gz IPVCJVSFYXAIDU-STQMWFEESA-N 1 0 334.420 2.256 20 5 EEBDRO COc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000339811682 465525379 /nfs/dbraw/zinc/52/53/79/465525379.db2.gz GZOINJFSOZAFJW-UHFFFAOYSA-N 1 0 326.312 2.181 20 5 EEBDRO COc1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c([N+](=O)[O-])cc1O ZINC000360061117 465527894 /nfs/dbraw/zinc/52/78/94/465527894.db2.gz XAJQHGGMFFWUBV-LBPRGKRZSA-N 1 0 338.360 2.084 20 5 EEBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000299361453 465716748 /nfs/dbraw/zinc/71/67/48/465716748.db2.gz YWNAANIXTGHIJV-CYBMUJFWSA-N 1 0 330.388 2.008 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330588523 465718185 /nfs/dbraw/zinc/71/81/85/465718185.db2.gz UJIAVYUGCGFBEY-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335465 465723255 /nfs/dbraw/zinc/72/32/55/465723255.db2.gz LFBSKENRBRUMOE-NVXWUHKLSA-N 1 0 330.388 2.416 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000361220673 465844201 /nfs/dbraw/zinc/84/42/01/465844201.db2.gz MCZKJVYAHIFRDF-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000338144391 465847616 /nfs/dbraw/zinc/84/76/16/465847616.db2.gz UPGGMUSSQIMNIC-HNNXBMFYSA-N 1 0 337.445 2.033 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000353498942 465933950 /nfs/dbraw/zinc/93/39/50/465933950.db2.gz SFWXOHVHJUUGHX-CVEARBPZSA-N 1 0 329.404 2.102 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000361404819 465966192 /nfs/dbraw/zinc/96/61/92/465966192.db2.gz OBIRABJIYAFERI-IAGOWNOFSA-N 1 0 330.388 2.379 20 5 EEBDRO Cc1cc(NCCNC(=O)c2ccn[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302078795 466094844 /nfs/dbraw/zinc/09/48/44/466094844.db2.gz KMWFQUQVNNVSSD-UHFFFAOYSA-N 1 0 340.343 2.016 20 5 EEBDRO CC[C@H](C)[NH2+][C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543608 466118094 /nfs/dbraw/zinc/11/80/94/466118094.db2.gz HQGAKQIUJJKQQQ-CMPLNLGQSA-N 1 0 347.375 2.223 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000357563335 466135185 /nfs/dbraw/zinc/13/51/85/466135185.db2.gz HOGRZLVZAFBHQD-NSHDSACASA-N 1 0 329.422 2.139 20 5 EEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000302468947 466143604 /nfs/dbraw/zinc/14/36/04/466143604.db2.gz TWFYNDSTHIFBPH-GOSISDBHSA-N 1 0 342.399 2.063 20 5 EEBDRO Cc1c(Cc2noc(CCc3cncn3C)n2)cccc1[N+](=O)[O-] ZINC000346860893 466205286 /nfs/dbraw/zinc/20/52/86/466205286.db2.gz CTQZTLUOWDBZJE-UHFFFAOYSA-N 1 0 327.344 2.396 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331826728 466261071 /nfs/dbraw/zinc/26/10/71/466261071.db2.gz JAUBSPHSIDLVPF-FRFSOERESA-N 1 0 346.431 2.482 20 5 EEBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762281 466266000 /nfs/dbraw/zinc/26/60/00/466266000.db2.gz ASCSEXNIJHDFKI-OWCLPIDISA-N 1 0 333.388 2.247 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361784341 466286669 /nfs/dbraw/zinc/28/66/69/466286669.db2.gz DADCHYUNKQIMPV-OAHLLOKOSA-N 1 0 348.447 2.412 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372305430 466291234 /nfs/dbraw/zinc/29/12/34/466291234.db2.gz QGSLHQACJZVDDR-ZDUSSCGKSA-N 1 0 349.435 2.074 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000361805875 466305105 /nfs/dbraw/zinc/30/51/05/466305105.db2.gz CTMOYLKSUXBAAP-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000331921088 466306956 /nfs/dbraw/zinc/30/69/56/466306956.db2.gz CFFLOKNUZTYIRI-MRXNPFEDSA-N 1 0 330.388 2.488 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591575889 468486239 /nfs/dbraw/zinc/48/62/39/468486239.db2.gz JMCUHOSFBYZFBR-UHFFFAOYSA-N 1 0 343.383 2.166 20 5 EEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332072256 466372364 /nfs/dbraw/zinc/37/23/64/466372364.db2.gz XDQQPVQZAXSCON-CABCVRRESA-N 1 0 339.342 2.159 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000340844198 466379061 /nfs/dbraw/zinc/37/90/61/466379061.db2.gz IVHJXBNWCJHQAZ-HNNXBMFYSA-N 1 0 349.431 2.295 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332291117 466491080 /nfs/dbraw/zinc/49/10/80/466491080.db2.gz JJUVNMDNBZBGIF-UHFFFAOYSA-N 1 0 345.403 2.208 20 5 EEBDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358201242 466536133 /nfs/dbraw/zinc/53/61/33/466536133.db2.gz JPWGPUZKFWLTFF-SJORKVTESA-N 1 0 347.415 2.415 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591677314 468501337 /nfs/dbraw/zinc/50/13/37/468501337.db2.gz IOEPBYJOUFNCAF-SNVBAGLBSA-N 1 0 342.193 2.229 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000325015747 466652937 /nfs/dbraw/zinc/65/29/37/466652937.db2.gz DBFRDEVSJKUNCW-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2c1 ZINC000325191077 466654497 /nfs/dbraw/zinc/65/44/97/466654497.db2.gz AAZOSVXHIIEIEC-CABCVRRESA-N 1 0 328.372 2.418 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373280322 466751460 /nfs/dbraw/zinc/75/14/60/466751460.db2.gz WUWIPRHYYJCLNE-YVEFUNNKSA-N 1 0 333.388 2.077 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000373391098 466789078 /nfs/dbraw/zinc/78/90/78/466789078.db2.gz HOUKQRJRVHSRKS-HNNXBMFYSA-N 1 0 327.388 2.709 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829688 466864397 /nfs/dbraw/zinc/86/43/97/466864397.db2.gz SJCRZMNVZRNMPS-LSDHHAIUSA-N 1 0 349.435 2.253 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423941693 466921548 /nfs/dbraw/zinc/92/15/48/466921548.db2.gz PBXJKPHOANDMNQ-OAHLLOKOSA-N 1 0 346.431 2.442 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000412057229 466986285 /nfs/dbraw/zinc/98/62/85/466986285.db2.gz QNMNGCHYNJMPPR-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000418308426 467090775 /nfs/dbraw/zinc/09/07/75/467090775.db2.gz AHPZKXSXNPKGAW-UKRRQHHQSA-N 1 0 334.420 2.167 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418729549 467151603 /nfs/dbraw/zinc/15/16/03/467151603.db2.gz GYZXOMRWBNNOFI-IHXNAJNRSA-N 1 0 344.415 2.178 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000427368921 467153698 /nfs/dbraw/zinc/15/36/98/467153698.db2.gz BQJIFPBPZBYDQJ-INIZCTEOSA-N 1 0 337.420 2.246 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257734 467198888 /nfs/dbraw/zinc/19/88/88/467198888.db2.gz DBPBYNVFWPTUNY-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CCc4ccccc43)CC2)n1 ZINC000428958152 467284090 /nfs/dbraw/zinc/28/40/90/467284090.db2.gz SXDBPBOQXQNMBO-UHFFFAOYSA-N 1 0 341.415 2.491 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018804 467291853 /nfs/dbraw/zinc/29/18/53/467291853.db2.gz IAMCSJWRNGYNKZ-CPUCHLNUSA-N 1 0 346.431 2.195 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[NH2+]1 ZINC000420212845 467322584 /nfs/dbraw/zinc/32/25/84/467322584.db2.gz UGMRIXFVTNKIGE-ZDUSSCGKSA-N 1 0 328.372 2.367 20 5 EEBDRO CCc1cc(N2CC[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420217346 467323731 /nfs/dbraw/zinc/32/37/31/467323731.db2.gz XOFVGVPWBXOHPQ-LBPRGKRZSA-N 1 0 327.388 2.412 20 5 EEBDRO CCc1cc(N2CC[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420217345 467323760 /nfs/dbraw/zinc/32/37/60/467323760.db2.gz XOFVGVPWBXOHPQ-GFCCVEGCSA-N 1 0 327.388 2.412 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000378524757 467331180 /nfs/dbraw/zinc/33/11/80/467331180.db2.gz YDFABIIJJSQSML-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420276262 467335335 /nfs/dbraw/zinc/33/53/35/467335335.db2.gz LOEHMYFLWRDNIO-CYBMUJFWSA-N 1 0 344.371 2.451 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339952 467367078 /nfs/dbraw/zinc/36/70/78/467367078.db2.gz MFOGANAXJQFBEO-GUYCJALGSA-N 1 0 346.431 2.386 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420353202 467374222 /nfs/dbraw/zinc/37/42/22/467374222.db2.gz BJMNHFQEHYPHFV-CQSZACIVSA-N 1 0 334.420 2.339 20 5 EEBDRO COc1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000429922126 467382471 /nfs/dbraw/zinc/38/24/71/467382471.db2.gz WBEOQTQZXUKGAO-TZMCWYRMSA-N 1 0 335.404 2.245 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477218 467419712 /nfs/dbraw/zinc/41/97/12/467419712.db2.gz ZOOBTCNADNXENN-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430579727 467445243 /nfs/dbraw/zinc/44/52/43/467445243.db2.gz CSQWLVXYSFRZRV-OAHLLOKOSA-N 1 0 330.388 2.476 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000415120357 467494890 /nfs/dbraw/zinc/49/48/90/467494890.db2.gz GSHWHOPKPDFIOF-PBHICJAKSA-N 1 0 337.395 2.452 20 5 EEBDRO CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000408041923 467499502 /nfs/dbraw/zinc/49/95/02/467499502.db2.gz OZWROKNYAXUCFA-RYUDHWBXSA-N 1 0 341.433 2.006 20 5 EEBDRO [NH3+]C1CCC(OCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449131050 467620043 /nfs/dbraw/zinc/62/00/43/467620043.db2.gz JUHPDPAJPBLAQT-UHFFFAOYSA-N 1 0 349.431 2.320 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449204107 467623583 /nfs/dbraw/zinc/62/35/83/467623583.db2.gz MBEOBUYCOMLWPS-GJZGRUSLSA-N 1 0 346.431 2.245 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000449310972 467629813 /nfs/dbraw/zinc/62/98/13/467629813.db2.gz JUPSKKCVFZSQSV-IFIJOSMWSA-N 1 0 330.388 2.379 20 5 EEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1C[NH+](C)C ZINC000458271131 467801005 /nfs/dbraw/zinc/80/10/05/467801005.db2.gz URAHMVILRMYTFS-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO [NH3+][C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1c1ccc(F)cc1 ZINC000457372525 467810262 /nfs/dbraw/zinc/81/02/62/467810262.db2.gz IXCNRNKZTZZBID-KGLIPLIRSA-N 1 0 332.335 2.019 20 5 EEBDRO C[C@@H](CCCO)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450633266 467883290 /nfs/dbraw/zinc/88/32/90/467883290.db2.gz YKGBMTWHORTEHC-AWEZNQCLSA-N 1 0 337.420 2.248 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494251065 468040326 /nfs/dbraw/zinc/04/03/26/468040326.db2.gz NKQUAWAQJVUULK-LYOVBCGYSA-N 1 0 337.376 2.088 20 5 EEBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C[NH+](C)C ZINC000531488557 468055847 /nfs/dbraw/zinc/05/58/47/468055847.db2.gz FSZQKLOJMNWEFA-SNVBAGLBSA-N 1 0 337.376 2.030 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000531569452 468061567 /nfs/dbraw/zinc/06/15/67/468061567.db2.gz UFSPMVKZNJBHFI-DZGCQCFKSA-N 1 0 342.399 2.326 20 5 EEBDRO CC(C)[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000487966295 468063672 /nfs/dbraw/zinc/06/36/72/468063672.db2.gz WDHRBBOZEBTGKX-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000519597938 468180033 /nfs/dbraw/zinc/18/00/33/468180033.db2.gz RMSQUVCIFDMSGI-LJQANCHMSA-N 1 0 337.379 2.415 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496444852 468251485 /nfs/dbraw/zinc/25/14/85/468251485.db2.gz VDWVRVDEVHPFLS-CYBMUJFWSA-N 1 0 334.376 2.082 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000591729003 468511847 /nfs/dbraw/zinc/51/18/47/468511847.db2.gz CLOYDWROYIDKRW-LSDHHAIUSA-N 1 0 328.368 2.264 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594388832 468569161 /nfs/dbraw/zinc/56/91/61/468569161.db2.gz BPPKBYPFNBWLTI-UHFFFAOYSA-N 1 0 349.431 2.479 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417636 468578564 /nfs/dbraw/zinc/57/85/64/468578564.db2.gz CXJQGJURVVHLLY-YPMHNXCESA-N 1 0 335.408 2.017 20 5 EEBDRO NC(=O)Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594525606 468616260 /nfs/dbraw/zinc/61/62/60/468616260.db2.gz WROFMUVATJDTHH-MRXNPFEDSA-N 1 0 325.368 2.400 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000597679585 468636041 /nfs/dbraw/zinc/63/60/41/468636041.db2.gz QFXNUPUGXJKJLR-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000583152630 468653888 /nfs/dbraw/zinc/65/38/88/468653888.db2.gz ZCBLTYIGLCSFOH-OAHLLOKOSA-N 1 0 348.403 2.313 20 5 EEBDRO Cc1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000560279400 468777585 /nfs/dbraw/zinc/77/75/85/468777585.db2.gz HZHCXAMMXWKNPT-HNNXBMFYSA-N 1 0 346.383 2.312 20 5 EEBDRO [NH3+]C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000595265137 468797095 /nfs/dbraw/zinc/79/70/95/468797095.db2.gz YTEJEBJGDXTWHS-UHFFFAOYSA-N 1 0 340.811 2.361 20 5 EEBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000593111018 468874778 /nfs/dbraw/zinc/87/47/78/468874778.db2.gz BCLWUWPMPSPMRS-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000595520967 468886192 /nfs/dbraw/zinc/88/61/92/468886192.db2.gz UMYZOWFSFZZCET-UHFFFAOYSA-N 1 0 332.360 2.303 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593188881 468898857 /nfs/dbraw/zinc/89/88/57/468898857.db2.gz DRZWSLBRZUPQGN-GMTAPVOTSA-N 1 0 331.376 2.024 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000593188747 468898904 /nfs/dbraw/zinc/89/89/04/468898904.db2.gz PDBKPBVOKNKYHE-BFHYXJOUSA-N 1 0 344.415 2.489 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598575758 468920156 /nfs/dbraw/zinc/92/01/56/468920156.db2.gz WVVZCVPGSJEUQJ-HNNXBMFYSA-N 1 0 337.395 2.468 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000572495876 468942333 /nfs/dbraw/zinc/94/23/33/468942333.db2.gz LXHBKRZYBWARTJ-ZDUSSCGKSA-N 1 0 341.371 2.128 20 5 EEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000598669997 468953151 /nfs/dbraw/zinc/95/31/51/468953151.db2.gz PQROKARMCUVDBX-SJCJKPOMSA-N 1 0 330.388 2.123 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000562655198 469021749 /nfs/dbraw/zinc/02/17/49/469021749.db2.gz LLZLJVVZOUQRMX-SFHVURJKSA-N 1 0 325.368 2.142 20 5 EEBDRO COCC[N@@H+](CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602764577 469058759 /nfs/dbraw/zinc/05/87/59/469058759.db2.gz DODXBCCCZDMIQZ-UHFFFAOYSA-N 1 0 332.404 2.291 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593707230 469103316 /nfs/dbraw/zinc/10/33/16/469103316.db2.gz HCSVFZDCHDHWOB-YOEHRIQHSA-N 1 0 332.404 2.174 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593706945 469103606 /nfs/dbraw/zinc/10/36/06/469103606.db2.gz JPDNNQLIFJRIPX-DOMZBBRYSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000593730497 469113399 /nfs/dbraw/zinc/11/33/99/469113399.db2.gz JSJFPJHSXRGNNE-BXUZGUMPSA-N 1 0 341.433 2.041 20 5 EEBDRO CC1(C)C[C@]1(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596070546 469139180 /nfs/dbraw/zinc/13/91/80/469139180.db2.gz RHSKNALFSRMUEM-WMZOPIPTSA-N 1 0 344.415 2.110 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000599157551 469141508 /nfs/dbraw/zinc/14/15/08/469141508.db2.gz YANBAYJRIFRZAJ-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000573681860 469185216 /nfs/dbraw/zinc/18/52/16/469185216.db2.gz ADLSZZCVNCAYAC-HNNXBMFYSA-N 1 0 334.423 2.021 20 5 EEBDRO Cc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596263570 469226301 /nfs/dbraw/zinc/22/63/01/469226301.db2.gz HSHHTOKPMVMQPM-UHFFFAOYSA-N 1 0 337.395 2.373 20 5 EEBDRO COc1cc(C[N@H+](C)C(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518238 469270533 /nfs/dbraw/zinc/27/05/33/469270533.db2.gz QFEPHUCQRRYIOI-UHFFFAOYSA-N 1 0 348.346 2.450 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596467559 469277081 /nfs/dbraw/zinc/27/70/81/469277081.db2.gz SMWARMMVXVHBMW-OAHLLOKOSA-N 1 0 329.404 2.082 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602427795 469311505 /nfs/dbraw/zinc/31/15/05/469311505.db2.gz BPIXCKVATHTNPC-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602482087 469335645 /nfs/dbraw/zinc/33/56/45/469335645.db2.gz MKTVTUJMOPYRTO-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1nccn1CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000604532801 469487978 /nfs/dbraw/zinc/48/79/78/469487978.db2.gz KOBUQZFFVGIILP-UHFFFAOYSA-N 1 0 332.360 2.051 20 5 EEBDRO COc1cc(C(=O)N(C)CCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000610112045 469981632 /nfs/dbraw/zinc/98/16/32/469981632.db2.gz SOWGONHAKRUVHK-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336039 470004894 /nfs/dbraw/zinc/00/48/94/470004894.db2.gz YRJNQHJJTYNZHL-HNNXBMFYSA-N 1 0 348.403 2.119 20 5 EEBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000649271377 470521393 /nfs/dbraw/zinc/52/13/93/470521393.db2.gz FYSVYSVPPOQVTR-UHFFFAOYSA-N 1 0 348.450 2.365 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000600825429 485629495 /nfs/dbraw/zinc/62/94/95/485629495.db2.gz ULQAUZCYCYGBMD-UHFFFAOYSA-N 1 0 332.404 2.067 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000184013295 534022138 /nfs/dbraw/zinc/02/21/38/534022138.db2.gz IHKVIQVCEOUVTD-SNVBAGLBSA-N 1 0 334.401 2.386 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000129578136 527716443 /nfs/dbraw/zinc/71/64/43/527716443.db2.gz YMIDBMUEKSQGRH-ZDUSSCGKSA-N 1 0 338.408 2.382 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189741389 528077683 /nfs/dbraw/zinc/07/76/83/528077683.db2.gz DYGHJNPGMONGMB-CQSZACIVSA-N 1 0 348.447 2.084 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116126885 535921550 /nfs/dbraw/zinc/92/15/50/535921550.db2.gz FFTCMEXPUZRVNV-OAHLLOKOSA-N 1 0 337.420 2.456 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000266597978 535984985 /nfs/dbraw/zinc/98/49/85/535984985.db2.gz BZYPQWAWQXVKEL-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738225782 578004632 /nfs/dbraw/zinc/00/46/32/578004632.db2.gz UFJGPLBBBPGNJO-CQSZACIVSA-N 1 0 329.404 2.299 20 5 EEBDRO CC[C@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000732182099 577153502 /nfs/dbraw/zinc/15/35/02/577153502.db2.gz CVCXMPWIQMIYPL-SJCJKPOMSA-N 1 0 348.403 2.297 20 5 EEBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591687 577463674 /nfs/dbraw/zinc/46/36/74/577463674.db2.gz UGLJOGORCSHARQ-RDJZCZTQSA-N 1 0 330.388 2.371 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000766968465 577528080 /nfs/dbraw/zinc/52/80/80/577528080.db2.gz GOXXVMDIBPBVFK-BVGQSLNGSA-N 1 0 330.384 2.382 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000753962614 577797595 /nfs/dbraw/zinc/79/75/95/577797595.db2.gz FJCSGBHXDRWVLU-AWEZNQCLSA-N 1 0 340.449 2.238 20 5 EEBDRO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000748328385 577959441 /nfs/dbraw/zinc/95/94/41/577959441.db2.gz YGQMARJMVWOZBP-LBPRGKRZSA-N 1 0 347.419 2.037 20 5 EEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824400846 609605752 /nfs/dbraw/zinc/60/57/52/609605752.db2.gz LNFHXKNGYQCHSC-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO C[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000934039949 677765872 /nfs/dbraw/zinc/76/58/72/677765872.db2.gz FNZYKKLUMDTSOE-GFCCVEGCSA-N 1 0 347.419 2.267 20 5 EEBDRO CN(CC1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044949 677768066 /nfs/dbraw/zinc/76/80/66/677768066.db2.gz ZYINVSCSBPOFKB-UHFFFAOYSA-N 1 0 347.419 2.220 20 5 EEBDRO NC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000236178379 681551543 /nfs/dbraw/zinc/55/15/43/681551543.db2.gz AXSNIUHOTYKOGA-UHFFFAOYSA-N 1 0 342.193 2.055 20 5 EEBDRO COc1c(O)ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000894417426 682879893 /nfs/dbraw/zinc/87/98/93/682879893.db2.gz MSCAHAFIUUUMEL-PBWFPOADSA-N 1 0 335.404 2.366 20 5 EEBDRO C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000892820663 683102299 /nfs/dbraw/zinc/10/22/99/683102299.db2.gz REHLMJQLHZDMCU-OLZOCXBDSA-N 1 0 334.420 2.480 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000308682171 683388092 /nfs/dbraw/zinc/38/80/92/683388092.db2.gz NLYJZHXTXVJQNK-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[N@H+](C)CCN1C ZINC000895248223 684374474 /nfs/dbraw/zinc/37/44/74/684374474.db2.gz KQWSWUSHYKISIH-YVEFUNNKSA-N 1 0 329.404 2.189 20 5 EEBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000899870110 693904536 /nfs/dbraw/zinc/90/45/36/693904536.db2.gz DODJQVZEPVSEKA-UHFFFAOYSA-N 1 0 343.221 2.364 20 5 EEBDRO Cc1ccc(NC(=O)CCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000899911376 693921751 /nfs/dbraw/zinc/92/17/51/693921751.db2.gz QDULMJAOAMAITH-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000899910384 693921920 /nfs/dbraw/zinc/92/19/20/693921920.db2.gz GKVWLTSIJNMZIA-UHFFFAOYSA-N 1 0 333.388 2.424 20 5 EEBDRO C[C@H]1C[N@H+](CCCOC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000893390897 685223985 /nfs/dbraw/zinc/22/39/85/685223985.db2.gz UATXFNXLVNYOIB-AWEZNQCLSA-N 1 0 336.388 2.181 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c([N+](=O)[O-])c1 ZINC001059685437 688116682 /nfs/dbraw/zinc/11/66/82/688116682.db2.gz DPECOUSIEPPNRR-OKILXGFUSA-N 1 0 344.415 2.058 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000897534606 691178733 /nfs/dbraw/zinc/17/87/33/691178733.db2.gz YTPPZHJMOHRJGK-RHSMWYFYSA-N 1 0 348.447 2.489 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898159863 691888041 /nfs/dbraw/zinc/88/80/41/691888041.db2.gz OOOAOBOHTMDUDN-HZSPNIEDSA-N 1 0 349.456 2.486 20 5 EEBDRO O=C(c1cscn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990214195 692758175 /nfs/dbraw/zinc/75/81/75/692758175.db2.gz PGJSBGGHLIZOBI-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N(C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001101712822 1187524076 /nfs/dbraw/zinc/52/40/76/1187524076.db2.gz OAUSFWQZPHXWPE-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105489760 1188107770 /nfs/dbraw/zinc/10/77/70/1188107770.db2.gz KMGJLLLAJRVNLG-UHFFFAOYSA-N 1 0 336.436 2.220 20 5 EEBDRO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000865455520 1198226675 /nfs/dbraw/zinc/22/66/75/1198226675.db2.gz BOGDWDPYHOOKNY-GJZGRUSLSA-N 1 0 337.379 2.481 20 5 EEBDRO Cc1ccc(NCCCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676831 1199717883 /nfs/dbraw/zinc/71/78/83/1199717883.db2.gz ZBBVQMGSNRVGMM-VFADXPBXSA-N 1 0 346.431 2.377 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000877016406 1199845025 /nfs/dbraw/zinc/84/50/25/1199845025.db2.gz GCNRKCMDMNJJTP-KCJUWKMLSA-N 1 0 349.284 2.333 20 5 EEBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000870894919 1200938108 /nfs/dbraw/zinc/93/81/08/1200938108.db2.gz NGUQAABCKKFQQO-HDJSIYSDSA-N 1 0 347.415 2.482 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC[C@@H]1CCCO1 ZINC000866267720 1201480387 /nfs/dbraw/zinc/48/03/87/1201480387.db2.gz QDGUXMFUEYAZRU-WFASDCNBSA-N 1 0 326.368 2.450 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000866346039 1201497264 /nfs/dbraw/zinc/49/72/64/1201497264.db2.gz GTYDHMCLXZSNFX-ZJUUUORDSA-N 1 0 334.355 2.337 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000866358348 1201499922 /nfs/dbraw/zinc/49/99/22/1201499922.db2.gz XSCZERIYUBJVDA-NWDGAFQWSA-N 1 0 344.408 2.079 20 5 EEBDRO COCCC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868040154 1201732350 /nfs/dbraw/zinc/73/23/50/1201732350.db2.gz IECJCHYQPDLYCF-UHFFFAOYSA-N 1 0 341.795 2.137 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000868573028 1201837802 /nfs/dbraw/zinc/83/78/02/1201837802.db2.gz XLKWOOLMYUVCIA-QGZVFWFLSA-N 1 0 335.379 2.221 20 5 EEBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(C[NH3+])CCCCC1 ZINC000883453532 1202068381 /nfs/dbraw/zinc/06/83/81/1202068381.db2.gz RXJJRAXWBRHSDB-UHFFFAOYSA-N 1 0 346.431 2.077 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(CN2CCC(C)CC2)nn1 ZINC000883994515 1202193152 /nfs/dbraw/zinc/19/31/52/1202193152.db2.gz CDKXDZHTQIRAND-UHFFFAOYSA-N 1 0 345.403 2.475 20 5 EEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H](C)[N@H+]1CCO ZINC000884521841 1202330778 /nfs/dbraw/zinc/33/07/78/1202330778.db2.gz IDDICMYQGLAEPH-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO COc1cc2c(cc1O)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000887106791 1204204298 /nfs/dbraw/zinc/20/42/98/1204204298.db2.gz NSBMFZJYTORSFT-QGZVFWFLSA-N 1 0 344.367 2.401 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827639 1204721333 /nfs/dbraw/zinc/72/13/33/1204721333.db2.gz KMQZIQQTYQYAGD-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000932969354 1207708511 /nfs/dbraw/zinc/70/85/11/1207708511.db2.gz CUGWWZWCNIGJQH-LBPRGKRZSA-N 1 0 325.340 2.173 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933433527 1207770427 /nfs/dbraw/zinc/77/04/27/1207770427.db2.gz FCHKAEKWZNTPOE-ZFVVBOAOSA-N 1 0 331.416 2.497 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000934682773 1208008466 /nfs/dbraw/zinc/00/84/66/1208008466.db2.gz MBXXYEUBENYIAD-FUHWJXTLSA-N 1 0 343.383 2.470 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000796450889 1218209675 /nfs/dbraw/zinc/20/96/75/1218209675.db2.gz YGYVGAXJWCNGQZ-KGLIPLIRSA-N 1 0 348.321 2.408 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001020206073 1229552400 /nfs/dbraw/zinc/55/24/00/1229552400.db2.gz BDKHJDWWTQWUEV-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001097095613 1243694257 /nfs/dbraw/zinc/69/42/57/1243694257.db2.gz AXKAOWQSVJYWRN-HDJSIYSDSA-N 1 0 346.431 2.304 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001050519878 1243774034 /nfs/dbraw/zinc/77/40/34/1243774034.db2.gz LMDNEVCNJMMVBO-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097184881 1243796941 /nfs/dbraw/zinc/79/69/41/1243796941.db2.gz NSKPOPPTYDTXFA-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC001097205298 1243821328 /nfs/dbraw/zinc/82/13/28/1243821328.db2.gz FJBCFZJQIMOZEN-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001097244862 1243872288 /nfs/dbraw/zinc/87/22/88/1243872288.db2.gz RZITXIGZIANRFL-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826743433 1248053759 /nfs/dbraw/zinc/05/37/59/1248053759.db2.gz GPFYFPLJLMMJBZ-UHFFFAOYSA-N 1 0 346.362 2.333 20 5 EEBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000852920155 1292235510 /nfs/dbraw/zinc/23/55/10/1292235510.db2.gz MLGDLJAZAPKJQS-CYBMUJFWSA-N 1 0 334.420 2.169 20 5 EEBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC000853100521 1292281000 /nfs/dbraw/zinc/28/10/00/1292281000.db2.gz GYCDVAZSSVWINW-QGZVFWFLSA-N 1 0 330.388 2.423 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854650369 1292905562 /nfs/dbraw/zinc/90/55/62/1292905562.db2.gz PQIPBTSSWVGLPG-RNCFNFMXSA-N 1 0 343.786 2.481 20 5 EEBDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801554 1293639318 /nfs/dbraw/zinc/63/93/18/1293639318.db2.gz SNIQHNJJLMNFAA-KRWDZBQOSA-N 1 0 330.388 2.274 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC001072725495 1296058701 /nfs/dbraw/zinc/05/87/01/1296058701.db2.gz NOKCPCGDAJSRMW-HUUCEWRRSA-N 1 0 349.818 2.040 20 5 EEBDRO C[NH2+][C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001217948937 1297534795 /nfs/dbraw/zinc/53/47/95/1297534795.db2.gz CCZOQPRBLJUGFP-XWEPSHTISA-N 1 0 348.140 2.329 20 5 EEBDRO CCOC(=O)c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217979457 1297540406 /nfs/dbraw/zinc/54/04/06/1297540406.db2.gz HIDYWBLWTKDXSG-OCCSQVGLSA-N 1 0 326.324 2.240 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC001218039738 1297554771 /nfs/dbraw/zinc/55/47/71/1297554771.db2.gz ULHGLJPTGQLVJA-VXNVDRBHSA-N 1 0 348.140 2.329 20 5 EEBDRO C[C@@H]1C[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218047816 1297558568 /nfs/dbraw/zinc/55/85/68/1297558568.db2.gz FXWJRVUOUCFCSG-APPZFPTMSA-N 1 0 348.140 2.329 20 5 EEBDRO O=c1c2ccc(O)c(O[C@@H]3CCC[NH2+]C3)c2oc2cc(O)cc(O)c12 ZINC001218287668 1297623799 /nfs/dbraw/zinc/62/37/99/1297623799.db2.gz NNFHPMRMVUHRGC-SNVBAGLBSA-N 1 0 343.335 2.194 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103441284 1302966208 /nfs/dbraw/zinc/96/62/08/1302966208.db2.gz OUUMAAAHVKNFSA-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)C1 ZINC001229938469 1302991980 /nfs/dbraw/zinc/99/19/80/1302991980.db2.gz ITKBIMTUCZBDRJ-SNVBAGLBSA-N 1 0 326.324 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000783624061 1304312733 /nfs/dbraw/zinc/31/27/33/1304312733.db2.gz WFUYPIOPVAAHBC-CHWSQXEVSA-N 1 0 325.796 2.201 20 5 EEBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676999 1304325545 /nfs/dbraw/zinc/32/55/45/1304325545.db2.gz NNPFZWFCWRUUGG-OAHLLOKOSA-N 1 0 344.795 2.431 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118261579 1306327792 /nfs/dbraw/zinc/32/77/92/1306327792.db2.gz YRKNSZINUIJCQO-UWVGGRQHSA-N 1 0 329.784 2.130 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843488330 1315922328 /nfs/dbraw/zinc/92/23/28/1315922328.db2.gz ZMQMFANYPMOJIC-ZETCQYMHSA-N 1 0 348.172 2.354 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001122205091 1310237039 /nfs/dbraw/zinc/23/70/39/1310237039.db2.gz BTXCRHHZXCWRHR-AWEZNQCLSA-N 1 0 346.431 2.009 20 5 EEBDRO COCc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001162138161 1320761085 /nfs/dbraw/zinc/76/10/85/1320761085.db2.gz FSSXHDVUCZEBLV-UHFFFAOYSA-N 1 0 347.371 2.244 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000831179954 1314578545 /nfs/dbraw/zinc/57/85/45/1314578545.db2.gz HVVRAIGGVYPWPW-ZDUSSCGKSA-N 1 0 338.795 2.190 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000834642597 1314857113 /nfs/dbraw/zinc/85/71/13/1314857113.db2.gz SMMSFOAKBMYEBZ-GWCFXTLKSA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@H]1[C@@H](C)[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000841693840 1315599156 /nfs/dbraw/zinc/59/91/56/1315599156.db2.gz WCNRNQBNAGUTOL-JHJVBQTASA-N 1 0 346.387 2.297 20 5 EEBDRO CC1(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841857420 1315625024 /nfs/dbraw/zinc/62/50/24/1315625024.db2.gz YIMFGTIXMAWAOS-UHFFFAOYSA-N 1 0 326.784 2.190 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000841856822 1315625647 /nfs/dbraw/zinc/62/56/47/1315625647.db2.gz BITAFLUOAYANTD-ZJUUUORDSA-N 1 0 326.784 2.140 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000843061915 1315832299 /nfs/dbraw/zinc/83/22/99/1315832299.db2.gz LAOBMVWBFGCSPI-YEWWUXTCSA-N 1 0 346.383 2.046 20 5 EEBDRO C[C@@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843169847 1315857591 /nfs/dbraw/zinc/85/75/91/1315857591.db2.gz UQGUUEFRZINTIS-CMPLNLGQSA-N 1 0 331.376 2.405 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000843185130 1315861152 /nfs/dbraw/zinc/86/11/52/1315861152.db2.gz LAPOQSYCFFSUBM-LBPRGKRZSA-N 1 0 331.376 2.175 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC3CC[NH2+]CC3)n2)c1 ZINC000843223807 1315870043 /nfs/dbraw/zinc/87/00/43/1315870043.db2.gz VUXLQLZVRXFALU-UHFFFAOYSA-N 1 0 332.360 2.119 20 5 EEBDRO O=C(CCc1ccco1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154545980 1317196653 /nfs/dbraw/zinc/19/66/53/1317196653.db2.gz VNYOZBKNPKINNM-UHFFFAOYSA-N 1 0 331.372 2.417 20 5 EEBDRO Cc1cnc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001154846064 1317348909 /nfs/dbraw/zinc/34/89/09/1317348909.db2.gz COUOEEFAZGPRFY-UHFFFAOYSA-N 1 0 327.266 2.148 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(NCc3nnn4c3C[NH2+]CCC4)nc12 ZINC001155394018 1317578344 /nfs/dbraw/zinc/57/83/44/1317578344.db2.gz NSOFDNLJLGESNZ-UHFFFAOYSA-N 1 0 345.410 2.480 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155620582 1317677093 /nfs/dbraw/zinc/67/70/93/1317677093.db2.gz LUOXRHKLFHDCQL-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc21 ZINC001155621075 1317677459 /nfs/dbraw/zinc/67/74/59/1317677459.db2.gz LYUHTPXUEUNHOY-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO N=c1cc(C[NH3+])ccn1C(=O)c1ccnc2c1ccc1cccnc12 ZINC001155817397 1317745954 /nfs/dbraw/zinc/74/59/54/1317745954.db2.gz ILTVUFGAIYPOAW-UHFFFAOYSA-N 1 0 329.363 2.211 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@H](C)C[NH+](C)C ZINC001155913980 1317787106 /nfs/dbraw/zinc/78/71/06/1317787106.db2.gz DXNLPKBQRIOIOS-MRVPVSSYSA-N 1 0 330.772 2.182 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccccc1 ZINC001254536109 1318113673 /nfs/dbraw/zinc/11/36/73/1318113673.db2.gz NQWNYSYZPSIGPF-AWEZNQCLSA-N 1 0 327.384 2.432 20 5 EEBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC001254587322 1318134267 /nfs/dbraw/zinc/13/42/67/1318134267.db2.gz WGPNJTZNALBUBB-HNNXBMFYSA-N 1 0 329.331 2.429 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCN(c3cnccn3)C1)C2 ZINC001254586503 1318135137 /nfs/dbraw/zinc/13/51/37/1318135137.db2.gz KMTQJCQIYZGEQE-JKSUJKDBSA-N 1 0 339.399 2.111 20 5 EEBDRO [NH3+]Cc1ccc(-c2nnn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)n2)cc1 ZINC001254588691 1318137200 /nfs/dbraw/zinc/13/72/00/1318137200.db2.gz HXCDZHMXFOKSLU-INIZCTEOSA-N 1 0 336.355 2.047 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599085 1318138944 /nfs/dbraw/zinc/13/89/44/1318138944.db2.gz KEKUXJHBIYJWHI-HUUCEWRRSA-N 1 0 325.372 2.035 20 5 EEBDRO Cc1ccc(-c2ccc(NC(=N)SCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC001157129633 1318424764 /nfs/dbraw/zinc/42/47/64/1318424764.db2.gz RHWRPIUQPFODRQ-UHFFFAOYSA-N 1 0 332.389 2.399 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084338 1318642005 /nfs/dbraw/zinc/64/20/05/1318642005.db2.gz ZXVUHDUTIUHCCG-GDBMZVCRSA-N 1 0 349.431 2.465 20 5 EEBDRO COc1cc(N2CCC([NH+]3CCC(C)(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093770 1318645754 /nfs/dbraw/zinc/64/57/54/1318645754.db2.gz QOKFLTLQLKOSNU-UHFFFAOYSA-N 1 0 349.431 2.419 20 5 EEBDRO Cc1cc(NC2C[NH+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157529396 1318698937 /nfs/dbraw/zinc/69/89/37/1318698937.db2.gz AQIZUBFCGYDKKH-UHFFFAOYSA-N 1 0 327.388 2.287 20 5 EEBDRO Cc1nn(CCO)c(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001256721055 1318841941 /nfs/dbraw/zinc/84/19/41/1318841941.db2.gz SLOASLPLBVNPOM-UHFFFAOYSA-N 1 0 332.404 2.075 20 5 EEBDRO O=C(CCOCC1CC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157894299 1318920563 /nfs/dbraw/zinc/92/05/63/1318920563.db2.gz YXVNAKWIKLZXCM-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(N)c([N+](=O)[O-])cn1 ZINC001158296334 1319151392 /nfs/dbraw/zinc/15/13/92/1319151392.db2.gz FHQNMGKNMDIIPJ-UHFFFAOYSA-N 1 0 341.371 2.334 20 5 EEBDRO CC[N@@H+]1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158561355 1319305699 /nfs/dbraw/zinc/30/56/99/1319305699.db2.gz AFGPIJIYCHFHGG-BQYQJAHWSA-N 1 0 333.436 2.443 20 5 EEBDRO Cc1cc(Nc2nccnc2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160249964 1320111524 /nfs/dbraw/zinc/11/15/24/1320111524.db2.gz IVYURKXDKXTHTE-UHFFFAOYSA-N 1 0 337.343 2.353 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC001161470748 1320510435 /nfs/dbraw/zinc/51/04/35/1320510435.db2.gz UQGNCCLTPIOKHS-MRXNPFEDSA-N 1 0 341.415 2.381 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001162186179 1320777825 /nfs/dbraw/zinc/77/78/25/1320777825.db2.gz HSPMNJAQDXNLKB-SHTZXODSSA-N 1 0 334.420 2.495 20 5 EEBDRO C[C@@]1([NH3+])C[C@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162328998 1320823496 /nfs/dbraw/zinc/82/34/96/1320823496.db2.gz VSRUIZMJRSDWOJ-BOCCDJDJSA-N 1 0 325.678 2.349 20 5 EEBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC001162909287 1320985830 /nfs/dbraw/zinc/98/58/30/1320985830.db2.gz LNSHPSPBEWYPAY-VIFPVBQESA-N 1 0 325.328 2.052 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163078832 1321029456 /nfs/dbraw/zinc/02/94/56/1321029456.db2.gz HKBZGQOVDLOGNX-LBPRGKRZSA-N 1 0 341.795 2.356 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc(C(F)(F)F)c1 ZINC001163101037 1321036495 /nfs/dbraw/zinc/03/64/95/1321036495.db2.gz GLCGPGHTQDRNHL-BZHVJNSISA-N 1 0 331.294 2.260 20 5 EEBDRO CCOC(=O)c1cnc(N[C@H]2C[NH2+]Cc3ccsc32)c([N+](=O)[O-])c1 ZINC001163220458 1321070042 /nfs/dbraw/zinc/07/00/42/1321070042.db2.gz QEBJGBQADJMFFL-NSHDSACASA-N 1 0 348.384 2.484 20 5 EEBDRO CCOC(=O)c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163334199 1321100524 /nfs/dbraw/zinc/10/05/24/1321100524.db2.gz VMZLDPPTAYCGCV-GUYCJALGSA-N 1 0 349.387 2.095 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[NH2+][C@H](Cc4ccccc4)C3)nc21 ZINC001164611122 1321435312 /nfs/dbraw/zinc/43/53/12/1321435312.db2.gz AKPOEDCIYKWYCR-CQSZACIVSA-N 1 0 337.383 2.492 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165091022 1321453273 /nfs/dbraw/zinc/45/32/73/1321453273.db2.gz YJBZDEDMZBHMDS-RHSMWYFYSA-N 1 0 339.399 2.283 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001166701562 1321769651 /nfs/dbraw/zinc/76/96/51/1321769651.db2.gz QSQJGIDTLLQPIP-ZDUSSCGKSA-N 1 0 336.355 2.233 20 5 EEBDRO C[NH+]1CCN(c2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)nc2)CC1 ZINC001210392217 1325263557 /nfs/dbraw/zinc/26/35/57/1325263557.db2.gz DIGRKIZQLAMAGQ-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1cncc(N2CC[NH+](C)CC2)c1 ZINC001210444686 1325287024 /nfs/dbraw/zinc/28/70/24/1325287024.db2.gz MWOLOZCRSHCFPU-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC001309965007 1331649630 /nfs/dbraw/zinc/64/96/30/1331649630.db2.gz HJNGXVCJDOOMAX-ZDUSSCGKSA-N 1 0 343.449 2.135 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001317950792 1332449785 /nfs/dbraw/zinc/44/97/85/1332449785.db2.gz OCMJWFWBMRZUFZ-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001319499122 1332712120 /nfs/dbraw/zinc/71/21/20/1332712120.db2.gz CUEJDTUUDJPREY-CYBMUJFWSA-N 1 0 332.404 2.350 20 5 EEBDRO O=[N+]([O-])c1cccc(OCc2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320328757 1332863127 /nfs/dbraw/zinc/86/31/27/1332863127.db2.gz QUAVBAKXNZMANC-AWEZNQCLSA-N 1 0 330.344 2.366 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001321720628 1333148550 /nfs/dbraw/zinc/14/85/50/1333148550.db2.gz NIXZDFDMNWPJPO-ZIAGYGMSSA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001321721748 1333148652 /nfs/dbraw/zinc/14/86/52/1333148652.db2.gz SYYQOBZWGGTBCF-CVEARBPZSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001609165985 1351872669 /nfs/dbraw/zinc/87/26/69/1351872669.db2.gz CSQLSSWFGLFZCT-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001331674642 1335056557 /nfs/dbraw/zinc/05/65/57/1335056557.db2.gz QKNORWJEGCKPMN-QMMMGPOBSA-N 1 0 330.182 2.085 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001331973330 1335693389 /nfs/dbraw/zinc/69/33/89/1335693389.db2.gz OUZUOOVHUSVFCB-IUODEOHRSA-N 1 0 347.394 2.267 20 5 EEBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001332034850 1335711177 /nfs/dbraw/zinc/71/11/77/1335711177.db2.gz VIABSECCQFTTAE-KRWDZBQOSA-N 1 0 341.367 2.390 20 5 EEBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001334076320 1336202322 /nfs/dbraw/zinc/20/23/22/1336202322.db2.gz QETRLZARMYUCRO-UHFFFAOYSA-N 1 0 345.334 2.483 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](C2CCC2)C2CCCCC2)c1 ZINC001336001754 1336463587 /nfs/dbraw/zinc/46/35/87/1336463587.db2.gz IUGSXPYEMMCCTF-IAGOWNOFSA-N 1 0 336.436 2.491 20 5 EEBDRO CS/C=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066623 1336952726 /nfs/dbraw/zinc/95/27/26/1336952726.db2.gz WBWSNRHNKOUDEE-YHYXMXQVSA-N 1 0 336.417 2.162 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001341166985 1337285693 /nfs/dbraw/zinc/28/56/93/1337285693.db2.gz OOAHAENQGVUQEA-UHFFFAOYSA-N 1 0 346.431 2.457 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001577227729 1344111021 /nfs/dbraw/zinc/11/10/21/1344111021.db2.gz FOOAODCZABJYBF-UHFFFAOYSA-N 1 0 343.387 2.328 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001577397052 1344140296 /nfs/dbraw/zinc/14/02/96/1344140296.db2.gz LATGGESDRZHBAT-SNVBAGLBSA-N 1 0 326.372 2.047 20 5 EEBDRO C[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC001579480470 1344387270 /nfs/dbraw/zinc/38/72/70/1344387270.db2.gz RFQRBHVKCKUFOJ-LBPRGKRZSA-N 1 0 325.368 2.268 20 5 EEBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001580163252 1344482372 /nfs/dbraw/zinc/48/23/72/1344482372.db2.gz MJOWFGUNOHEETE-CABCVRRESA-N 1 0 330.388 2.169 20 5 EEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@]12CCC[NH2+]C2 ZINC001580810802 1344561874 /nfs/dbraw/zinc/56/18/74/1344561874.db2.gz CCLDTJGMTSMFGO-CQSZACIVSA-N 1 0 327.743 2.355 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001589136107 1348964716 /nfs/dbraw/zinc/96/47/16/1348964716.db2.gz PJYURZWEVLNZTK-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590096718 1349153750 /nfs/dbraw/zinc/15/37/50/1349153750.db2.gz JZXZALFZKVOBCB-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO CSCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001605377785 1351147993 /nfs/dbraw/zinc/14/79/93/1351147993.db2.gz ZGYUGFHKEQGSDE-UHFFFAOYSA-N 1 0 348.432 2.350 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351980 1373140794 /nfs/dbraw/zinc/14/07/94/1373140794.db2.gz IWGAJQOSAYFBMG-KGLIPLIRSA-N 1 0 332.404 2.232 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580564 1373158710 /nfs/dbraw/zinc/15/87/10/1373158710.db2.gz YQPGJMSBEPGOMD-UHFFFAOYSA-N 1 0 331.319 2.023 20 5 EEBDRO COCC[NH2+]C1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC001579039985 1403776832 /nfs/dbraw/zinc/77/68/32/1403776832.db2.gz ASHHJJDWYKSCDN-UHFFFAOYSA-N 1 0 343.811 2.462 20 5 EEBDRO [NH3+]C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC001580223682 1403850012 /nfs/dbraw/zinc/85/00/12/1403850012.db2.gz ZLTHXISUJNBACU-ZDUSSCGKSA-N 1 0 325.796 2.424 20 5 EEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580250905 1403854009 /nfs/dbraw/zinc/85/40/09/1403854009.db2.gz WRDPUWYVTHJUOG-RFAUZJTJSA-N 1 0 325.315 2.217 20 5 EEBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)nc(SC)c2[N+](=O)[O-])c1C ZINC001167099432 757309962 /nfs/dbraw/zinc/30/99/62/757309962.db2.gz WGMSHAXITMUHPP-UHFFFAOYSA-N 1 0 342.812 2.282 20 5 EEBDRO Cc1cc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])cc1Br ZINC001167731491 765303239 /nfs/dbraw/zinc/30/32/39/765303239.db2.gz IQZIYTINIZQPSB-UHFFFAOYSA-N 1 0 325.166 2.353 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237612102 774032764 /nfs/dbraw/zinc/03/27/64/774032764.db2.gz HFMZHRRICNXTJL-UHFFFAOYSA-N 1 0 347.824 2.105 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000068510955 774617341 /nfs/dbraw/zinc/61/73/41/774617341.db2.gz RCUDFMIVXKGOTI-UHFFFAOYSA-N 1 0 334.420 2.337 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000107669946 778540513 /nfs/dbraw/zinc/54/05/13/778540513.db2.gz VBWZNBQQCFNTKU-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127689858 779351855 /nfs/dbraw/zinc/35/18/55/779351855.db2.gz DTOXJMVLYNBTKH-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(CCCO)CC1)OCCO2 ZINC000783599303 783242256 /nfs/dbraw/zinc/24/22/56/783242256.db2.gz MMDQLAPLZYWFLG-UHFFFAOYSA-N 1 0 336.388 2.351 20 5 EEBDRO O=C(CCCc1cccnc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135936912 784827014 /nfs/dbraw/zinc/82/70/14/784827014.db2.gz ZBAQYGVHSUHFCM-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO C[N@H+](CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001091521017 791062127 /nfs/dbraw/zinc/06/21/27/791062127.db2.gz ZRLWFZXNFAMPHR-CTYIDZIISA-N 1 0 346.431 2.386 20 5 EEBDRO CCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC001135947779 784845573 /nfs/dbraw/zinc/84/55/73/784845573.db2.gz NSTAUFQLWGDEIN-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO CCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001135949721 784849197 /nfs/dbraw/zinc/84/91/97/784849197.db2.gz BCUIFJUHAVBTHF-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818565204 785294880 /nfs/dbraw/zinc/29/48/80/785294880.db2.gz QVQBGTYUMVNAAM-DTWKUNHWSA-N 1 0 329.759 2.126 20 5 EEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000818942707 785335237 /nfs/dbraw/zinc/33/52/37/785335237.db2.gz IJLQFENHLNVPEW-RTBURBONSA-N 1 0 343.427 2.391 20 5 EEBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCCCC1 ZINC000819172244 785445870 /nfs/dbraw/zinc/44/58/70/785445870.db2.gz XBFKKJMUQFDGGV-IAGOWNOFSA-N 1 0 347.415 2.151 20 5 EEBDRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819309510 785495326 /nfs/dbraw/zinc/49/53/26/785495326.db2.gz ASTNCLOLEISSLS-MZNJEOGPSA-N 1 0 348.424 2.297 20 5 EEBDRO C[NH+]1CCC(C(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107239222 786591524 /nfs/dbraw/zinc/59/15/24/786591524.db2.gz HYFBAUBSGDCWFI-SNAWJCMRSA-N 1 0 332.404 2.021 20 5 EEBDRO CC(C)(CCC(=O)NCC1([NH+]2CCSCC2)CCCC1)[N+](=O)[O-] ZINC000822500620 787245581 /nfs/dbraw/zinc/24/55/81/787245581.db2.gz YKFZUUKFABLZTM-UHFFFAOYSA-N 1 0 343.493 2.300 20 5 EEBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000823997753 788012235 /nfs/dbraw/zinc/01/22/35/788012235.db2.gz GZNSJUHIAXNNID-LBPRGKRZSA-N 1 0 335.408 2.419 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000825405921 788617300 /nfs/dbraw/zinc/61/73/00/788617300.db2.gz UYSZEKRNZFARJI-QGZVFWFLSA-N 1 0 347.415 2.105 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000843843646 788685601 /nfs/dbraw/zinc/68/56/01/788685601.db2.gz SKMGSCBPYVLJBY-STQMWFEESA-N 1 0 341.408 2.160 20 5 EEBDRO Cc1cnoc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997142961 789101273 /nfs/dbraw/zinc/10/12/73/789101273.db2.gz RDMCMOPUVDWHSN-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923438956 789562528 /nfs/dbraw/zinc/56/25/28/789562528.db2.gz BWWGNKRXDVXHSL-OUAUKWLOSA-N 1 0 340.811 2.257 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000845482004 789825250 /nfs/dbraw/zinc/82/52/50/789825250.db2.gz DRLSUFYYJDEMQO-SWLSCSKDSA-N 1 0 343.786 2.423 20 5 EEBDRO CC(C)([NH3+])CNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001171188230 789838824 /nfs/dbraw/zinc/83/88/24/789838824.db2.gz ATHZNOXCBYJBIF-UHFFFAOYSA-N 1 0 329.360 2.391 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000171460198 791365683 /nfs/dbraw/zinc/36/56/83/791365683.db2.gz BPFILMILYXIJNK-UHFFFAOYSA-N 1 0 332.404 2.090 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001148537137 792513625 /nfs/dbraw/zinc/51/36/25/792513625.db2.gz XIMHGPYOMWTYPN-UHFFFAOYSA-N 1 0 333.310 2.389 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2nsnc2c1[N+](=O)[O-] ZINC001171394042 794591355 /nfs/dbraw/zinc/59/13/55/794591355.db2.gz NIIGFTLMVXQPDD-VIFPVBQESA-N 1 0 343.368 2.457 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089944237 795114453 /nfs/dbraw/zinc/11/44/53/795114453.db2.gz UCXMSJLCRMDCCC-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO C[NH+]1CCC(CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001094584494 796468013 /nfs/dbraw/zinc/46/80/13/796468013.db2.gz LDVQLNOPTULKMX-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC(C)N1C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172902136 797130491 /nfs/dbraw/zinc/13/04/91/797130491.db2.gz VTEVGJFEXKSGGI-HZPDHXFCSA-N 1 0 331.416 2.441 20 5 EEBDRO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914140 797170903 /nfs/dbraw/zinc/17/09/03/797170903.db2.gz CYPFHGHKGSMEBY-IRXDYDNUSA-N 1 0 331.416 2.443 20 5 EEBDRO CC[C@H](O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006164 797193890 /nfs/dbraw/zinc/19/38/90/797193890.db2.gz OIJRSQNSNYYDSM-LBPRGKRZSA-N 1 0 329.347 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2nc(C)no2)c1F ZINC001173178893 797277755 /nfs/dbraw/zinc/27/77/55/797277755.db2.gz NGJFIMPSZYZHBB-VIFPVBQESA-N 1 0 338.339 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1F ZINC001173183238 797280563 /nfs/dbraw/zinc/28/05/63/797280563.db2.gz LRHNOUKTPZWFFE-CUOATXAZSA-N 1 0 326.368 2.423 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001173237163 797321526 /nfs/dbraw/zinc/32/15/26/797321526.db2.gz INUSATZKKXLXTL-JLJPHGGASA-N 1 0 331.416 2.469 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001173238719 797324229 /nfs/dbraw/zinc/32/42/29/797324229.db2.gz WQCIAKYNPCERRK-MAUKXSAKSA-N 1 0 333.432 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000917052837 798037099 /nfs/dbraw/zinc/03/70/99/798037099.db2.gz RCLUQIQMXJMAFK-INIZCTEOSA-N 1 0 337.395 2.421 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c([N+](=O)[O-])c1 ZINC001110192588 798328155 /nfs/dbraw/zinc/32/81/55/798328155.db2.gz SNODSHANMUMGMC-UHFFFAOYSA-N 1 0 344.415 2.060 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789966 798599087 /nfs/dbraw/zinc/59/90/87/798599087.db2.gz ZBCYDTGSCHJRHN-QZTJIDSGSA-N 1 0 343.427 2.310 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086030965 801971140 /nfs/dbraw/zinc/97/11/40/801971140.db2.gz CRDJWBFYBSIRKS-OTVXOJSOSA-N 1 0 342.399 2.232 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001086293281 802682057 /nfs/dbraw/zinc/68/20/57/802682057.db2.gz SNSUIYASYJADOW-SAZUREKKSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1ocnc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086319645 802734203 /nfs/dbraw/zinc/73/42/03/802734203.db2.gz POVQWOQBRNLIGO-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3ccc4cc(F)cc([N+](=O)[O-])c4n3)cc2C1 ZINC001168817177 803436584 /nfs/dbraw/zinc/43/65/84/803436584.db2.gz VRZCGSWFIDOCLF-LBPRGKRZSA-N 1 0 327.319 2.284 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3nc4cc([N+](=O)[O-])ccc4nc3Cl)cc2C1 ZINC001168810015 803449530 /nfs/dbraw/zinc/44/95/30/803449530.db2.gz YMWGZYDVLXHSNW-SECBINFHSA-N 1 0 344.762 2.193 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168982871 803546917 /nfs/dbraw/zinc/54/69/17/803546917.db2.gz JDWONMKHHPJIDF-MQYQWHSLSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964742 803552010 /nfs/dbraw/zinc/55/20/10/803552010.db2.gz VMXSNNWKDUDMRC-QMIVOQANSA-N 1 0 339.436 2.277 20 5 EEBDRO COc1ccnc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991584 803559078 /nfs/dbraw/zinc/55/90/78/803559078.db2.gz HTHAIYCFDBQXJC-HUUCEWRRSA-N 1 0 349.431 2.173 20 5 EEBDRO Cc1cccnc1C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998147 803563953 /nfs/dbraw/zinc/56/39/53/803563953.db2.gz ITWCRDOWLKCSLL-CVEARBPZSA-N 1 0 333.432 2.473 20 5 EEBDRO O=C1CC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168989870 803574010 /nfs/dbraw/zinc/57/40/10/803574010.db2.gz XMTLWRLNCZPOIG-KSZLIROESA-N 1 0 345.443 2.460 20 5 EEBDRO CN(C)C(=O)N1CCCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018306 803586864 /nfs/dbraw/zinc/58/68/64/803586864.db2.gz APYFKNMJZQLTTD-HUUCEWRRSA-N 1 0 338.452 2.044 20 5 EEBDRO CN(C)C(=O)N1CCCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018304 803587046 /nfs/dbraw/zinc/58/70/46/803587046.db2.gz APYFKNMJZQLTTD-GJZGRUSLSA-N 1 0 338.452 2.044 20 5 EEBDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169021575 803588223 /nfs/dbraw/zinc/58/82/23/803588223.db2.gz LQCJPNYYSHRAJX-JZXOWHBKSA-N 1 0 335.448 2.156 20 5 EEBDRO [NH3+]Cc1cccc2c1cnn2-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001169192427 803645274 /nfs/dbraw/zinc/64/52/74/803645274.db2.gz PQJJCJOHULFDRD-UHFFFAOYSA-N 1 0 338.302 2.475 20 5 EEBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673639 807621086 /nfs/dbraw/zinc/62/10/86/807621086.db2.gz WXKHIKFUVYVDQF-NSHDSACASA-N 1 0 346.362 2.397 20 5 EEBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789765790 808171759 /nfs/dbraw/zinc/17/17/59/808171759.db2.gz SOSVJGXTGBWENT-GFCCVEGCSA-N 1 0 327.812 2.401 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790912081 808994785 /nfs/dbraw/zinc/99/47/85/808994785.db2.gz NGWUSXFBIPPGSW-UWVGGRQHSA-N 1 0 343.786 2.481 20 5 EEBDRO Cc1nc(NCC2C[NH+](C)C2)c([N+](=O)[O-])c(C)c1Br ZINC001170256827 809849122 /nfs/dbraw/zinc/84/91/22/809849122.db2.gz XVVZRGRKPAPECF-UHFFFAOYSA-N 1 0 329.198 2.343 20 5 EEBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170280000 809877683 /nfs/dbraw/zinc/87/76/83/809877683.db2.gz RPHYTDUMRQOGOT-RBSFLKMASA-N 1 0 327.356 2.179 20 5 EEBDRO COC(=O)C1CC(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170311365 809885167 /nfs/dbraw/zinc/88/51/67/809885167.db2.gz AZAGFGULXQMNTR-LKSINWNRSA-N 1 0 336.388 2.323 20 5 EEBDRO CC[NH+]1CCN(C[C@H](C)CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807930729 812389038 /nfs/dbraw/zinc/38/90/38/812389038.db2.gz VBQGPEKHOFQWHI-CQSZACIVSA-N 1 0 348.447 2.483 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000053990142 214208638 /nfs/dbraw/zinc/20/86/38/214208638.db2.gz TUWUMDSUYGCMMY-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174875624 231331598 /nfs/dbraw/zinc/33/15/98/231331598.db2.gz CVDQWFQYHFRCJJ-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1SC ZINC000104184371 219356303 /nfs/dbraw/zinc/35/63/03/219356303.db2.gz GLHAXCWHKRYGSA-JTQLQIEISA-N 1 0 339.417 2.007 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183674721 235192465 /nfs/dbraw/zinc/19/24/65/235192465.db2.gz IDYVHSAIEFOZGX-OAHLLOKOSA-N 1 0 326.393 2.369 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414928378 238751208 /nfs/dbraw/zinc/75/12/08/238751208.db2.gz AYMJSBOMESAFBU-UHFFFAOYSA-N 1 0 344.318 2.460 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000191723046 239266948 /nfs/dbraw/zinc/26/69/48/239266948.db2.gz FKTQPQXOSPVKOX-DOMZBBRYSA-N 1 0 330.388 2.056 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422735021 240199503 /nfs/dbraw/zinc/19/95/03/240199503.db2.gz UGDKMTSVEIWATP-NSHDSACASA-N 1 0 339.370 2.302 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423973998 240766899 /nfs/dbraw/zinc/76/68/99/240766899.db2.gz RKFRQBCWCZOOSG-OAHLLOKOSA-N 1 0 345.403 2.086 20 5 EEBDRO O=C(CC[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000429305308 241742457 /nfs/dbraw/zinc/74/24/57/241742457.db2.gz CDTDUKHYPTTYKW-CYBMUJFWSA-N 1 0 341.367 2.386 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000445896402 242141634 /nfs/dbraw/zinc/14/16/34/242141634.db2.gz HZUSSOOEKUTQEK-IUODEOHRSA-N 1 0 332.404 2.145 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000228670242 242142749 /nfs/dbraw/zinc/14/27/49/242142749.db2.gz WUPONTPTVVAAIX-LBPRGKRZSA-N 1 0 332.198 2.082 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000133104016 223388431 /nfs/dbraw/zinc/38/84/31/223388431.db2.gz UYLCCKLVKXXQFP-HNNXBMFYSA-N 1 0 333.388 2.485 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000133206753 223396313 /nfs/dbraw/zinc/39/63/13/223396313.db2.gz JVNMPINAGLKOCI-RDJZCZTQSA-N 1 0 331.416 2.388 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2ncccc2F)n1 ZINC000447583549 242291359 /nfs/dbraw/zinc/29/13/59/242291359.db2.gz BWZLITLHZADTKL-KGLIPLIRSA-N 1 0 349.366 2.478 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCOCC[NH+](C)C ZINC000447818837 242321222 /nfs/dbraw/zinc/32/12/22/242321222.db2.gz ZBWYQRNKGVEOIW-UHFFFAOYSA-N 1 0 345.783 2.025 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CCCCCC1 ZINC000237994510 242890912 /nfs/dbraw/zinc/89/09/12/242890912.db2.gz XZJWKXPRKYYQBV-UHFFFAOYSA-N 1 0 335.404 2.402 20 5 EEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000451162308 243017289 /nfs/dbraw/zinc/01/72/89/243017289.db2.gz MWJFUPIESSUYPW-AWEZNQCLSA-N 1 0 339.367 2.155 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245498540 243117515 /nfs/dbraw/zinc/11/75/15/243117515.db2.gz WKCFTJYIAIWKRG-CJNGLKHVSA-N 1 0 333.388 2.059 20 5 EEBDRO O=C(CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617076 243178239 /nfs/dbraw/zinc/17/82/39/243178239.db2.gz XGDUYPFCTAUWTI-SJLPKXTDSA-N 1 0 347.415 2.310 20 5 EEBDRO Cc1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000451886530 243290263 /nfs/dbraw/zinc/29/02/63/243290263.db2.gz ISFSKIKCJXEJCO-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000451890135 243295223 /nfs/dbraw/zinc/29/52/23/243295223.db2.gz OOYPNCUPUWFFDR-MLGOLLRUSA-N 1 0 343.387 2.267 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248613812 243596660 /nfs/dbraw/zinc/59/66/60/243596660.db2.gz LOAYGBWRSSPFOK-UOVKNHIHSA-N 1 0 335.429 2.271 20 5 EEBDRO Cc1ncsc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078950159 217155940 /nfs/dbraw/zinc/15/59/40/217155940.db2.gz NAJVCEBHKOFSRI-GFCCVEGCSA-N 1 0 333.417 2.484 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000079059233 217183872 /nfs/dbraw/zinc/18/38/72/217183872.db2.gz VRWPIDBBEJHSIM-AWEZNQCLSA-N 1 0 338.408 2.382 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000081364071 217388720 /nfs/dbraw/zinc/38/87/20/217388720.db2.gz STOWFBDVORWCTC-LBPRGKRZSA-N 1 0 345.403 2.275 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000494718469 247010338 /nfs/dbraw/zinc/01/03/38/247010338.db2.gz BNQSEUNMWLKKOZ-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000091673938 218045902 /nfs/dbraw/zinc/04/59/02/218045902.db2.gz WZISRPVKFRHYMQ-UHFFFAOYSA-N 1 0 337.420 2.218 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420257307 285106219 /nfs/dbraw/zinc/10/62/19/285106219.db2.gz JVZRWUCJTJJVSN-CQSZACIVSA-N 1 0 343.387 2.471 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000347503354 296401005 /nfs/dbraw/zinc/40/10/05/296401005.db2.gz SKKLRLJHUMVINF-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO COc1cc(C(=O)NCC2([NH3+])CCCCC2)cc([N+](=O)[O-])c1OC ZINC000269114950 255530993 /nfs/dbraw/zinc/53/09/93/255530993.db2.gz SIKOYCJRYSDIBM-UHFFFAOYSA-N 1 0 337.376 2.003 20 5 EEBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000117339180 221055726 /nfs/dbraw/zinc/05/57/26/221055726.db2.gz ADLBOKNDWLYOKP-NSHDSACASA-N 1 0 337.401 2.330 20 5 EEBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCSC1 ZINC000267072732 256024472 /nfs/dbraw/zinc/02/44/72/256024472.db2.gz IYHOYOILQSCTJA-ZDUSSCGKSA-N 1 0 326.378 2.352 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220430 256039200 /nfs/dbraw/zinc/03/92/00/256039200.db2.gz CXUANUJURYIGPS-NWDGAFQWSA-N 1 0 341.433 2.283 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000267224155 256039543 /nfs/dbraw/zinc/03/95/43/256039543.db2.gz BFEZATDJFBDTTL-CQSZACIVSA-N 1 0 334.420 2.121 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccsc1 ZINC000267232404 256040177 /nfs/dbraw/zinc/04/01/77/256040177.db2.gz ZRUJZYICXRMFBF-CYBMUJFWSA-N 1 0 334.401 2.271 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373428 256128406 /nfs/dbraw/zinc/12/84/06/256128406.db2.gz NHSUZTZFJGENMG-APPDUMDISA-N 1 0 342.399 2.218 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000270907393 256186308 /nfs/dbraw/zinc/18/63/08/256186308.db2.gz NMHDRPUDJSDPCF-UHFFFAOYSA-N 1 0 330.363 2.494 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273258860 256281655 /nfs/dbraw/zinc/28/16/55/256281655.db2.gz DFMYPPQZNSVBNZ-NSHDSACASA-N 1 0 347.375 2.016 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000275964440 256391369 /nfs/dbraw/zinc/39/13/69/256391369.db2.gz CHRWTACCFAJOHX-GHMZBOCLSA-N 1 0 345.346 2.088 20 5 EEBDRO O=C1NCCCC[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119196823 221263605 /nfs/dbraw/zinc/26/36/05/221263605.db2.gz MJRCTOQUGCBILY-INIZCTEOSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262574936 152293308 /nfs/dbraw/zinc/29/33/08/152293308.db2.gz DVYSTNSVFNIULK-JTQLQIEISA-N 1 0 343.811 2.459 20 5 EEBDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352203505 153003386 /nfs/dbraw/zinc/00/33/86/153003386.db2.gz SGMIVMSDLNGPAZ-VHSXEESVSA-N 1 0 329.784 2.278 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236722 154098700 /nfs/dbraw/zinc/09/87/00/154098700.db2.gz GHJGLRAQMLNAJI-CHWSQXEVSA-N 1 0 336.388 2.470 20 5 EEBDRO CCc1ccc([C@H]2C[NH2+]CCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000261675870 160406816 /nfs/dbraw/zinc/40/68/16/160406816.db2.gz HZQJUAMUFQYQRR-QGZVFWFLSA-N 1 0 329.404 2.000 20 5 EEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000261773823 160415248 /nfs/dbraw/zinc/41/52/48/160415248.db2.gz XDLBUXUTONAICS-CZUORRHYSA-N 1 0 337.376 2.074 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000069805411 159031068 /nfs/dbraw/zinc/03/10/68/159031068.db2.gz CJZJNHHLIDVPNY-MRXNPFEDSA-N 1 0 349.431 2.018 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000073108425 159050526 /nfs/dbraw/zinc/05/05/26/159050526.db2.gz CHLKZZUFWAWXHL-CYBMUJFWSA-N 1 0 332.404 2.186 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000101952563 159258262 /nfs/dbraw/zinc/25/82/62/159258262.db2.gz AGOPYWXQQROYOA-UHFFFAOYSA-N 1 0 345.403 2.065 20 5 EEBDRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108370782 159340438 /nfs/dbraw/zinc/34/04/38/159340438.db2.gz YPTMRUUBHRJJOQ-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186573891 160075879 /nfs/dbraw/zinc/07/58/79/160075879.db2.gz QQSZQVCBKIVTOW-UHFFFAOYSA-N 1 0 328.376 2.203 20 5 EEBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248449798 160346769 /nfs/dbraw/zinc/34/67/69/160346769.db2.gz IJIYPPHVUVEKAD-UKRRQHHQSA-N 1 0 331.372 2.423 20 5 EEBDRO CSCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342297775 161054576 /nfs/dbraw/zinc/05/45/76/161054576.db2.gz UDIIAJASFZJSDY-CYBMUJFWSA-N 1 0 325.434 2.203 20 5 EEBDRO CS[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000343634105 161152949 /nfs/dbraw/zinc/15/29/49/161152949.db2.gz GALIGUHEPULRTD-HZPDHXFCSA-N 1 0 339.461 2.341 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344403927 161224025 /nfs/dbraw/zinc/22/40/25/161224025.db2.gz WZCCVDLZLFOXOZ-NSHDSACASA-N 1 0 325.796 2.343 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344408812 161224669 /nfs/dbraw/zinc/22/46/69/161224669.db2.gz BFJMQQOOTUVGDO-ZIAGYGMSSA-N 1 0 335.404 2.305 20 5 EEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000344439663 161227508 /nfs/dbraw/zinc/22/75/08/161227508.db2.gz JDLPQMQXZIYNTP-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cn1cc(C[NH2+]C[C@](C)(O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344450898 161228706 /nfs/dbraw/zinc/22/87/06/161228706.db2.gz QVIZJDWHTIWRFO-KRWDZBQOSA-N 1 0 330.388 2.246 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345957860 161345295 /nfs/dbraw/zinc/34/52/95/161345295.db2.gz VXALENRHRQUGIR-HIFRSBDPSA-N 1 0 334.420 2.261 20 5 EEBDRO Cn1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000346392646 161368885 /nfs/dbraw/zinc/36/88/85/161368885.db2.gz GYBZLVSLKJLSOX-UHFFFAOYSA-N 1 0 334.420 2.318 20 5 EEBDRO O=C1COc2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2N1 ZINC000352633680 162220359 /nfs/dbraw/zinc/22/03/59/162220359.db2.gz RISCRROYWZBYGK-UHFFFAOYSA-N 1 0 327.340 2.258 20 5 EEBDRO Cn1cc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353670625 162647576 /nfs/dbraw/zinc/64/75/76/162647576.db2.gz IGTWPGBBKNQUEG-RHSMWYFYSA-N 1 0 341.415 2.179 20 5 EEBDRO CSC1(CNC(=O)c2csc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000355463702 163199361 /nfs/dbraw/zinc/19/93/61/163199361.db2.gz CKEHOFSHRBXUII-UHFFFAOYSA-N 1 0 329.447 2.214 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210879 164084166 /nfs/dbraw/zinc/08/41/66/164084166.db2.gz DVDSLTUHXRRQNW-BXUZGUMPSA-N 1 0 332.404 2.328 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@H+](C)CCCO)CC1 ZINC000360904649 164399091 /nfs/dbraw/zinc/39/90/91/164399091.db2.gz UGEWQKCHPQABFN-UHFFFAOYSA-N 1 0 335.404 2.080 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000364765614 165264748 /nfs/dbraw/zinc/26/47/48/165264748.db2.gz YAQOLQOAYGVMFQ-CXAGYDPISA-N 1 0 349.387 2.089 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375468968 167141360 /nfs/dbraw/zinc/14/13/60/167141360.db2.gz GRPZYSSHXKHYQC-IRXDYDNUSA-N 1 0 349.431 2.336 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CCCCCC1 ZINC000159661029 225256624 /nfs/dbraw/zinc/25/66/24/225256624.db2.gz KCZQXNHSPPPGOB-UHFFFAOYSA-N 1 0 335.404 2.402 20 5 EEBDRO Cc1ccc(C)c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000164721099 226095700 /nfs/dbraw/zinc/09/57/00/226095700.db2.gz VUAXDPMRIQDMQD-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CO)COC2)s1 ZINC000122990690 222195852 /nfs/dbraw/zinc/19/58/52/222195852.db2.gz HHLDQPKMUOWGKN-UHFFFAOYSA-N 1 0 334.397 2.422 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000123987895 222362124 /nfs/dbraw/zinc/36/21/24/222362124.db2.gz AZRPSONUDAIYPF-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000272321247 268952616 /nfs/dbraw/zinc/95/26/16/268952616.db2.gz TZQBBCMVCMKVNW-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000275599408 269128774 /nfs/dbraw/zinc/12/87/74/269128774.db2.gz GNPKYGWZMDLTAW-HNNXBMFYSA-N 1 0 338.433 2.462 20 5 EEBDRO COc1ccc(CC[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1O ZINC000277265032 269145893 /nfs/dbraw/zinc/14/58/93/269145893.db2.gz QTOCSXWJFYZHOI-GFCCVEGCSA-N 1 0 334.376 2.116 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000278483159 269232816 /nfs/dbraw/zinc/23/28/16/269232816.db2.gz SFTTWFUHIRMSFZ-ZDUSSCGKSA-N 1 0 335.429 2.106 20 5 EEBDRO Cc1c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278905271 269250144 /nfs/dbraw/zinc/25/01/44/269250144.db2.gz SEVCFLGXHOITPW-CYBMUJFWSA-N 1 0 347.415 2.229 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000271843160 274158374 /nfs/dbraw/zinc/15/83/74/274158374.db2.gz WIGIMVLNMWBDSF-CQSZACIVSA-N 1 0 336.779 2.085 20 5 EEBDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000272093629 274165416 /nfs/dbraw/zinc/16/54/16/274165416.db2.gz YKUDXTLLWRSSAV-RDJZCZTQSA-N 1 0 330.388 2.202 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000277563609 274310312 /nfs/dbraw/zinc/31/03/12/274310312.db2.gz KKRQJHQSXWQHQS-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000288543735 275068757 /nfs/dbraw/zinc/06/87/57/275068757.db2.gz VFGRFEDWDOBRNF-KGLIPLIRSA-N 1 0 332.404 2.092 20 5 EEBDRO CCOC(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000289843125 275153915 /nfs/dbraw/zinc/15/39/15/275153915.db2.gz PKUZCZCKPTVTJH-UHFFFAOYSA-N 1 0 333.344 2.330 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000290548470 275217283 /nfs/dbraw/zinc/21/72/83/275217283.db2.gz AQRZZWQMTXNUEM-GFCCVEGCSA-N 1 0 348.230 2.448 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000290893057 275250062 /nfs/dbraw/zinc/25/00/62/275250062.db2.gz KGYGDBRWDYEDRP-JTQLQIEISA-N 1 0 326.372 2.166 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000291105061 275270803 /nfs/dbraw/zinc/27/08/03/275270803.db2.gz GDCUECYENFGHNS-CYBMUJFWSA-N 1 0 337.424 2.035 20 5 EEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248624 275401133 /nfs/dbraw/zinc/40/11/33/275401133.db2.gz QSEMKERZRKKXEX-SUMWQHHRSA-N 1 0 343.383 2.221 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448974772 276330774 /nfs/dbraw/zinc/33/07/74/276330774.db2.gz DJQDQAXXORMMMD-GFCCVEGCSA-N 1 0 345.403 2.445 20 5 EEBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361570474 279217227 /nfs/dbraw/zinc/21/72/27/279217227.db2.gz WOOAZYHFZQQOOY-NEPJUHHUSA-N 1 0 339.392 2.287 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000449601327 280166229 /nfs/dbraw/zinc/16/62/29/280166229.db2.gz RCIDEQRTYNNPQV-CQSZACIVSA-N 1 0 334.420 2.298 20 5 EEBDRO CCc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270606229 281399111 /nfs/dbraw/zinc/39/91/11/281399111.db2.gz DSCUSRRNDDDALE-LSDHHAIUSA-N 1 0 337.445 2.275 20 5 EEBDRO CSc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281185921 292740020 /nfs/dbraw/zinc/74/00/20/292740020.db2.gz BGQLVRDUQQMEOH-SMDDNHRTSA-N 1 0 336.417 2.225 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281555241 292766761 /nfs/dbraw/zinc/76/67/61/292766761.db2.gz LFPIXWNMVKFMIZ-UHFFFAOYSA-N 1 0 337.420 2.472 20 5 EEBDRO C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000294266880 293411042 /nfs/dbraw/zinc/41/10/42/293411042.db2.gz PTRLCVKKIQBVOE-RYUDHWBXSA-N 1 0 325.434 2.389 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000296859372 294085734 /nfs/dbraw/zinc/08/57/34/294085734.db2.gz YTFVPIQNCWFKEO-KGLIPLIRSA-N 1 0 346.431 2.338 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000297149700 294164886 /nfs/dbraw/zinc/16/48/86/294164886.db2.gz OGFYSEDXLOGBMP-JSGCOSHPSA-N 1 0 337.424 2.242 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000297149708 294164999 /nfs/dbraw/zinc/16/49/99/294164999.db2.gz OGFYSEDXLOGBMP-OCCSQVGLSA-N 1 0 337.424 2.242 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000297667660 294310538 /nfs/dbraw/zinc/31/05/38/294310538.db2.gz ZQDZBCRFDNJZRZ-HUUCEWRRSA-N 1 0 347.415 2.231 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000152529539 300484697 /nfs/dbraw/zinc/48/46/97/300484697.db2.gz WVRVJQSOWQJYIX-YDHLFZDLSA-N 1 0 346.431 2.250 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332570663 312026945 /nfs/dbraw/zinc/02/69/45/312026945.db2.gz WFCXQEBLPOURIX-WFASDCNBSA-N 1 0 332.404 2.281 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686253 312045398 /nfs/dbraw/zinc/04/53/98/312045398.db2.gz VOCHQIXXOTWESR-MNOVXSKESA-N 1 0 339.342 2.111 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@@H](O)CSCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000338202662 312248981 /nfs/dbraw/zinc/24/89/81/312248981.db2.gz AWTFAOIMBRUZSG-DVOMOZLQSA-N 1 0 340.445 2.298 20 5 EEBDRO [NH3+]C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000342601331 312264603 /nfs/dbraw/zinc/26/46/03/312264603.db2.gz XOBIRRLYINMQMR-UHFFFAOYSA-N 1 0 332.385 2.330 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C[NH2+]1 ZINC000414957115 313115405 /nfs/dbraw/zinc/11/54/05/313115405.db2.gz VSUPAPLHFHSUMN-RKDXNWHRSA-N 1 0 344.318 2.410 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415502697 313134812 /nfs/dbraw/zinc/13/48/12/313134812.db2.gz NLQBJXIFDARACT-HOTGVXAUSA-N 1 0 348.403 2.345 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417818726 313606564 /nfs/dbraw/zinc/60/65/64/313606564.db2.gz BHAPDVQRUSBNCS-CFVMTHIKSA-N 1 0 332.404 2.215 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986326 313676816 /nfs/dbraw/zinc/67/68/16/313676816.db2.gz IETXLHZBGFIGAZ-JTQLQIEISA-N 1 0 328.800 2.217 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000420934776 314001063 /nfs/dbraw/zinc/00/10/63/314001063.db2.gz HFCHREDKOLBABJ-UBHSHLNASA-N 1 0 335.404 2.181 20 5 EEBDRO C[N@@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425389838 314384723 /nfs/dbraw/zinc/38/47/23/314384723.db2.gz ZTOMGQZTJBGQRP-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000425501559 314407534 /nfs/dbraw/zinc/40/75/34/314407534.db2.gz FFLUBVNORHEMOG-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO C[NH2+]C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430929169 314593230 /nfs/dbraw/zinc/59/32/30/314593230.db2.gz WRFMJXOYGVZXIN-UHFFFAOYSA-N 1 0 330.388 2.476 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448693158 315376306 /nfs/dbraw/zinc/37/63/06/315376306.db2.gz ZSEXKZDQKRDLQL-NSHDSACASA-N 1 0 339.367 2.347 20 5 EEBDRO CN(C)C(=O)OC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000495663273 316046120 /nfs/dbraw/zinc/04/61/20/316046120.db2.gz BBPIOVGTHYLTOL-UHFFFAOYSA-N 1 0 337.376 2.136 20 5 EEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@H]1[NH3+] ZINC000522001523 316945719 /nfs/dbraw/zinc/94/57/19/316945719.db2.gz VACYRSOQDPHLKN-UKRRQHHQSA-N 1 0 346.431 2.007 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000524137624 317008387 /nfs/dbraw/zinc/00/83/87/317008387.db2.gz GOXFZPNFFLYQNX-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541051309 318091550 /nfs/dbraw/zinc/09/15/50/318091550.db2.gz HUNQNBQGXSKOKO-OAHLLOKOSA-N 1 0 343.383 2.473 20 5 EEBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000542808590 318142379 /nfs/dbraw/zinc/14/23/79/318142379.db2.gz UHPWSZTYPSHSAH-INIZCTEOSA-N 1 0 327.340 2.217 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561212817 318832194 /nfs/dbraw/zinc/83/21/94/318832194.db2.gz UCMYUAJKNPHHGY-MRXNPFEDSA-N 1 0 346.431 2.441 20 5 EEBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000566231241 319262699 /nfs/dbraw/zinc/26/26/99/319262699.db2.gz NUVKWIIMECWHJZ-TVQRCGJNSA-N 1 0 349.309 2.215 20 5 EEBDRO O=C(CC[NH2+][C@@H](CO)CC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000566235587 319263662 /nfs/dbraw/zinc/26/36/62/319263662.db2.gz ZHKFQYBJEDYFNG-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(CC[NH2+]CC1(CCO)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571047325 319721171 /nfs/dbraw/zinc/72/11/71/319721171.db2.gz RLXVMYBICZKPFD-UHFFFAOYSA-N 1 0 335.404 2.456 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000573339862 319926001 /nfs/dbraw/zinc/92/60/01/319926001.db2.gz ZSYZNOATAQQFCD-STQMWFEESA-N 1 0 346.387 2.389 20 5 EEBDRO COc1ccncc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576512508 320178259 /nfs/dbraw/zinc/17/82/59/320178259.db2.gz YNUSCLVYEVJGNP-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000576952199 320219342 /nfs/dbraw/zinc/21/93/42/320219342.db2.gz VPVWFXVMCYONFN-UHFFFAOYSA-N 1 0 335.408 2.237 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000181094849 323339493 /nfs/dbraw/zinc/33/94/93/323339493.db2.gz SNDXMXQIGHRNJP-CQSZACIVSA-N 1 0 345.403 2.449 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183440651 323407069 /nfs/dbraw/zinc/40/70/69/323407069.db2.gz DYPBTRUOQMQJAG-HRCADAONSA-N 1 0 335.404 2.271 20 5 EEBDRO CC[NH2+]CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579354938 323833335 /nfs/dbraw/zinc/83/33/35/323833335.db2.gz JLJFKRZSDXQHGI-UHFFFAOYSA-N 1 0 329.784 2.133 20 5 EEBDRO CCOc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000582057158 324369561 /nfs/dbraw/zinc/36/95/61/324369561.db2.gz NPPDTMCPHWZTRJ-LLVKDONJSA-N 1 0 339.392 2.105 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354577947 465034757 /nfs/dbraw/zinc/03/47/57/465034757.db2.gz PTRRRFAHDUWZDW-OCCSQVGLSA-N 1 0 341.433 2.088 20 5 EEBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347552036 465088591 /nfs/dbraw/zinc/08/85/91/465088591.db2.gz GGWCYIDQRQJSGB-LLVKDONJSA-N 1 0 330.344 2.288 20 5 EEBDRO CCC[C@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315061 465153035 /nfs/dbraw/zinc/15/30/35/465153035.db2.gz GOTMFTHMXBLGHX-ZFWWWQNUSA-N 1 0 343.449 2.353 20 5 EEBDRO Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000354836070 465181658 /nfs/dbraw/zinc/18/16/58/465181658.db2.gz AQENZCXAOAUWOW-HZPDHXFCSA-N 1 0 347.394 2.031 20 5 EEBDRO COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000355201555 465233011 /nfs/dbraw/zinc/23/30/11/465233011.db2.gz BGSRYUUMNHZPHH-RLFYNMQTSA-N 1 0 349.431 2.287 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000298363832 465375970 /nfs/dbraw/zinc/37/59/70/465375970.db2.gz BTWAMIFKKYODQJ-UHFFFAOYSA-N 1 0 338.364 2.272 20 5 EEBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C2CC2)C1 ZINC000590654450 468296825 /nfs/dbraw/zinc/29/68/25/468296825.db2.gz AESMNUCZHPYXTK-CYBMUJFWSA-N 1 0 347.415 2.282 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552044246 468302463 /nfs/dbraw/zinc/30/24/63/468302463.db2.gz WUCXWXOGVZHQMA-PBHICJAKSA-N 1 0 343.431 2.349 20 5 EEBDRO CC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112926547 462555675 /nfs/dbraw/zinc/55/56/75/462555675.db2.gz NWJIDDVTDJSKQS-JTQLQIEISA-N 1 0 329.784 2.083 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087086232 462588333 /nfs/dbraw/zinc/58/83/33/462588333.db2.gz SLYCTGBKJABPAU-DLBZAZTESA-N 1 0 344.415 2.289 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000045767437 462615750 /nfs/dbraw/zinc/61/57/50/462615750.db2.gz CGMTYBLSSZDQSL-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000088250797 462620016 /nfs/dbraw/zinc/62/00/16/462620016.db2.gz CRCPWLOBGAIUPV-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074763847 462632241 /nfs/dbraw/zinc/63/22/41/462632241.db2.gz LKRBVWZVSWTZNM-MRXNPFEDSA-N 1 0 346.431 2.407 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007031070 462717863 /nfs/dbraw/zinc/71/78/63/462717863.db2.gz XMTSQXDYYDSWID-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090069122 462771803 /nfs/dbraw/zinc/77/18/03/462771803.db2.gz GXMUZMVBTAYHOG-UHFFFAOYSA-N 1 0 342.399 2.425 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075901207 462773050 /nfs/dbraw/zinc/77/30/50/462773050.db2.gz DBZAEFXEXNRKOT-HACGYAERSA-N 1 0 348.378 2.374 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1(=O)=O ZINC000090466248 462792503 /nfs/dbraw/zinc/79/25/03/462792503.db2.gz IJYWVADMYUXBKE-GXTWGEPZSA-N 1 0 326.418 2.083 20 5 EEBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000090511468 462794578 /nfs/dbraw/zinc/79/45/78/462794578.db2.gz GNTOJQRJFRIMLG-UHFFFAOYSA-N 1 0 343.383 2.430 20 5 EEBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552036 462797855 /nfs/dbraw/zinc/79/78/55/462797855.db2.gz WTPYUDAUWTXHAR-AWEZNQCLSA-N 1 0 342.399 2.097 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2nccs2)CCCC1 ZINC000090559096 462797867 /nfs/dbraw/zinc/79/78/67/462797867.db2.gz HKCNGECYFZNJDG-UHFFFAOYSA-N 1 0 334.401 2.272 20 5 EEBDRO C[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047864626 462829904 /nfs/dbraw/zinc/82/99/04/462829904.db2.gz FPQWYXRUTOATHJ-UHFFFAOYSA-N 1 0 344.318 2.412 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000077315022 462967754 /nfs/dbraw/zinc/96/77/54/462967754.db2.gz XMOJNPVGTDJFDX-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO CSC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000120668092 463024959 /nfs/dbraw/zinc/02/49/59/463024959.db2.gz UTJDYHZODKBZDK-ZDUSSCGKSA-N 1 0 336.360 2.400 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C2(CF)CCC2)cc1[N+](=O)[O-] ZINC000521873866 468336446 /nfs/dbraw/zinc/33/64/46/468336446.db2.gz RJOQTPZDOMQBGU-UHFFFAOYSA-N 1 0 326.324 2.128 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000157323928 463119695 /nfs/dbraw/zinc/11/96/95/463119695.db2.gz NYSWTIROMMZDQL-CJNGLKHVSA-N 1 0 335.379 2.219 20 5 EEBDRO CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135424368 463154106 /nfs/dbraw/zinc/15/41/06/463154106.db2.gz JDXLXFYUBZQJBZ-AWEZNQCLSA-N 1 0 335.429 2.311 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054646776 463250939 /nfs/dbraw/zinc/25/09/39/463250939.db2.gz SMSJFOKAOBUTTC-HZPDHXFCSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000029606974 463264510 /nfs/dbraw/zinc/26/45/10/463264510.db2.gz KVYCFUBXTNOJOW-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169962 468353288 /nfs/dbraw/zinc/35/32/88/468353288.db2.gz JGJSFKMRDBZFFW-NWDGAFQWSA-N 1 0 347.371 2.022 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000081334041 463421942 /nfs/dbraw/zinc/42/19/42/463421942.db2.gz JCGNVZFXVQOFBF-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000072580387 463522596 /nfs/dbraw/zinc/52/25/96/463522596.db2.gz FEWPZFYUOHIHOG-AEFFLSMTSA-N 1 0 342.399 2.304 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000108559065 463615278 /nfs/dbraw/zinc/61/52/78/463615278.db2.gz PXTANXFWUVWGNM-IUODEOHRSA-N 1 0 332.404 2.439 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000164859340 463634830 /nfs/dbraw/zinc/63/48/30/463634830.db2.gz IVSAMVMNNWWZHN-ZDUSSCGKSA-N 1 0 333.388 2.343 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000553776946 468378854 /nfs/dbraw/zinc/37/88/54/468378854.db2.gz REHQEDDNUJXNDS-SWLSCSKDSA-N 1 0 332.404 2.335 20 5 EEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000171665853 463902640 /nfs/dbraw/zinc/90/26/40/463902640.db2.gz ZZYDEPFOOJXTFN-UHFFFAOYSA-N 1 0 349.435 2.265 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000186736044 464061287 /nfs/dbraw/zinc/06/12/87/464061287.db2.gz AFJALNOEVFZPJC-WMLDXEAASA-N 1 0 349.434 2.269 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172419798 464076753 /nfs/dbraw/zinc/07/67/53/464076753.db2.gz JNFXLQCJBIKZKW-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO COc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000172425921 464078638 /nfs/dbraw/zinc/07/86/38/464078638.db2.gz LDTGEAHZMOHZCN-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO Cc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000172462538 464085841 /nfs/dbraw/zinc/08/58/41/464085841.db2.gz QAGKQCYGPYTAIQ-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000172508037 464095070 /nfs/dbraw/zinc/09/50/70/464095070.db2.gz RTNJPQJMPSOIJV-UHFFFAOYSA-N 1 0 347.415 2.246 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279410780 464100936 /nfs/dbraw/zinc/10/09/36/464100936.db2.gz VVPKWGFEFKVODX-BLLLJJGKSA-N 1 0 333.388 2.423 20 5 EEBDRO Cc1nccn1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263836973 464210750 /nfs/dbraw/zinc/21/07/50/464210750.db2.gz XFXGXTGLIPDUEH-UHFFFAOYSA-N 1 0 340.387 2.290 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180007633 464223113 /nfs/dbraw/zinc/22/31/13/464223113.db2.gz BLNRNAGXFQCCMF-UHFFFAOYSA-N 1 0 329.303 2.022 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236899809 464235754 /nfs/dbraw/zinc/23/57/54/464235754.db2.gz SBFXZEAZUHHLRM-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)COC ZINC000271450169 464314527 /nfs/dbraw/zinc/31/45/27/464314527.db2.gz GCRQCRKIMQXULG-QWHCGFSZSA-N 1 0 328.434 2.453 20 5 EEBDRO Cc1cc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713270 464316125 /nfs/dbraw/zinc/31/61/25/464316125.db2.gz SWWOQUSEIDVOIV-GFCCVEGCSA-N 1 0 325.384 2.324 20 5 EEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000264445151 464328243 /nfs/dbraw/zinc/32/82/43/464328243.db2.gz RIVZOJYZXWNGPF-FZMZJTMJSA-N 1 0 332.360 2.380 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000264450457 464331873 /nfs/dbraw/zinc/33/18/73/464331873.db2.gz GMFVKAAYLXVBRE-CYBMUJFWSA-N 1 0 332.404 2.186 20 5 EEBDRO C[C@@H]1CCC[C@](CNC(=O)c2c(N)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000180691269 464371675 /nfs/dbraw/zinc/37/16/75/464371675.db2.gz DRRCPFZFXVLGCQ-PXAZEXFGSA-N 1 0 334.420 2.417 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189129304 464439652 /nfs/dbraw/zinc/43/96/52/464439652.db2.gz WLJBFIQJBFMCCZ-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000294266887 464449964 /nfs/dbraw/zinc/44/99/64/464449964.db2.gz PTRLCVKKIQBVOE-VXGBXAGGSA-N 1 0 325.434 2.389 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCOC2=O)c1 ZINC000181299854 464469209 /nfs/dbraw/zinc/46/92/09/464469209.db2.gz HNQNVDWOOVLTOQ-GFCCVEGCSA-N 1 0 345.359 2.099 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281531446 464492798 /nfs/dbraw/zinc/49/27/98/464492798.db2.gz WMTXKLUKVLLRMP-HNNXBMFYSA-N 1 0 349.431 2.472 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000281619145 464523530 /nfs/dbraw/zinc/52/35/30/464523530.db2.gz FQLWESRDNZELPE-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000272246202 464534631 /nfs/dbraw/zinc/53/46/31/464534631.db2.gz LFRRKQWOCZUMSQ-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000285425783 464560597 /nfs/dbraw/zinc/56/05/97/464560597.db2.gz WCBFORLGYBPRRA-CYBMUJFWSA-N 1 0 345.321 2.232 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971482 464574845 /nfs/dbraw/zinc/57/48/45/464574845.db2.gz NTMNHHZOYFBRQN-NVXWUHKLSA-N 1 0 338.404 2.129 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981273 464579176 /nfs/dbraw/zinc/57/91/76/464579176.db2.gz LRJWMGFCEDWCFY-WBVHZDCISA-N 1 0 338.404 2.129 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000272371687 464581264 /nfs/dbraw/zinc/58/12/64/464581264.db2.gz BPRMVIPTIUIPEJ-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272396058 464590314 /nfs/dbraw/zinc/59/03/14/464590314.db2.gz JRPWWZDQEWGFBX-ZDUSSCGKSA-N 1 0 347.371 2.024 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CC3CCOCC3)CC2)cs1 ZINC000265551372 464598475 /nfs/dbraw/zinc/59/84/75/464598475.db2.gz ZAHBVCWTULBJMD-UHFFFAOYSA-N 1 0 325.434 2.201 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285580041 464616893 /nfs/dbraw/zinc/61/68/93/464616893.db2.gz TWYAHYJHDWRLCF-MZBDJJRSSA-N 1 0 346.431 2.399 20 5 EEBDRO CCC(=O)c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294908961 464645332 /nfs/dbraw/zinc/64/53/32/464645332.db2.gz IBEHHKDHTRCAEK-AWEZNQCLSA-N 1 0 335.404 2.446 20 5 EEBDRO Cc1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282033674 464674909 /nfs/dbraw/zinc/67/49/09/464674909.db2.gz ZJVPSBPRTUHONH-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO O=C(Nc1ccccc1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176197475 464717396 /nfs/dbraw/zinc/71/73/96/464717396.db2.gz FIWPNBCBUTYSIC-UHFFFAOYSA-N 1 0 343.387 2.142 20 5 EEBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000295221675 464750901 /nfs/dbraw/zinc/75/09/01/464750901.db2.gz MUYSTZPXEJVTIP-OAHLLOKOSA-N 1 0 336.388 2.444 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000285974114 464760278 /nfs/dbraw/zinc/76/02/78/464760278.db2.gz BLEODSCHDBZDCO-VXGBXAGGSA-N 1 0 336.392 2.309 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000191069303 464772406 /nfs/dbraw/zinc/77/24/06/464772406.db2.gz RMQHRYRAIULCMJ-LSDHHAIUSA-N 1 0 337.420 2.330 20 5 EEBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000248905525 464819838 /nfs/dbraw/zinc/81/98/38/464819838.db2.gz HVDWMSZRXKFFQG-DOMZBBRYSA-N 1 0 331.372 2.495 20 5 EEBDRO CCc1nn(C)c(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286366977 464894109 /nfs/dbraw/zinc/89/41/09/464894109.db2.gz CUBXBONBZVVLQB-OAHLLOKOSA-N 1 0 343.431 2.254 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177042816 464914649 /nfs/dbraw/zinc/91/46/49/464914649.db2.gz INTQHNFRXAIWOM-QWHCGFSZSA-N 1 0 332.404 2.138 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)c1nc2sccn2c1[N+](=O)[O-] ZINC000177046636 464915178 /nfs/dbraw/zinc/91/51/78/464915178.db2.gz ZBGOJCVODPMJRC-UHFFFAOYSA-N 1 0 341.437 2.099 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000177084821 464925975 /nfs/dbraw/zinc/92/59/75/464925975.db2.gz KSUVYZVAJILWAM-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[N@@H+]1C1CC1 ZINC000177089715 464927473 /nfs/dbraw/zinc/92/74/73/464927473.db2.gz OQMTZIGNYGSUDI-NEPJUHHUSA-N 1 0 332.404 2.016 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593912810 468430786 /nfs/dbraw/zinc/43/07/86/468430786.db2.gz QPWXXUWMQBJICD-ZQIUZPCESA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593910734 468430876 /nfs/dbraw/zinc/43/08/76/468430876.db2.gz BQCHKRLNYKHIAA-OFQRWUPVSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1cc(C(=O)NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000298373133 465377569 /nfs/dbraw/zinc/37/75/69/465377569.db2.gz FQBKQVRFAJTPSX-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337551012 465428703 /nfs/dbraw/zinc/42/87/03/465428703.db2.gz PNKUTVAYDVCMMN-HUUCEWRRSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095608 468437369 /nfs/dbraw/zinc/43/73/69/468437369.db2.gz FYNHFUQWCBUKTR-CHWSQXEVSA-N 1 0 326.418 2.394 20 5 EEBDRO Nc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000299063865 465582578 /nfs/dbraw/zinc/58/25/78/465582578.db2.gz UXKVXOCBYSTFEZ-UHFFFAOYSA-N 1 0 336.367 2.017 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000337818658 465603974 /nfs/dbraw/zinc/60/39/74/465603974.db2.gz PPRNLIIFVYYNCJ-UHFFFAOYSA-N 1 0 338.371 2.211 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362289378 465634802 /nfs/dbraw/zinc/63/48/02/465634802.db2.gz VWGDZYMXVIESNK-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000360930499 465640031 /nfs/dbraw/zinc/64/00/31/465640031.db2.gz VNTFANKMMNLKFK-OAHLLOKOSA-N 1 0 347.415 2.369 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000362362369 465680888 /nfs/dbraw/zinc/68/08/88/465680888.db2.gz MGBDZVHQTYRRIL-WMLDXEAASA-N 1 0 336.388 2.421 20 5 EEBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299337230 465704326 /nfs/dbraw/zinc/70/43/26/465704326.db2.gz LLWWCTYKUDLLIU-UHFFFAOYSA-N 1 0 334.351 2.266 20 5 EEBDRO COc1ccc(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000330678197 465757427 /nfs/dbraw/zinc/75/74/27/465757427.db2.gz WCZSHQGYWBFTSH-HIFRSBDPSA-N 1 0 325.434 2.081 20 5 EEBDRO COc1ccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107995 465769407 /nfs/dbraw/zinc/76/94/07/465769407.db2.gz BOSGBIYZSPSFLR-DYVFJYSZSA-N 1 0 336.388 2.373 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299536878 465789825 /nfs/dbraw/zinc/78/98/25/465789825.db2.gz ODSPSMMXHUOWBK-ZDUSSCGKSA-N 1 0 343.387 2.172 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353447389 465891046 /nfs/dbraw/zinc/89/10/46/465891046.db2.gz KJSZHQUPPZMHAS-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591360590 468460124 /nfs/dbraw/zinc/46/01/24/468460124.db2.gz NCMHGCOJLUHXDD-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000366825152 465956394 /nfs/dbraw/zinc/95/63/94/465956394.db2.gz UHUTVUFBVSLAIC-GJZGRUSLSA-N 1 0 347.415 2.415 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170544 465957083 /nfs/dbraw/zinc/95/70/83/465957083.db2.gz AOILASFMYSFRSW-XQQFMLRXSA-N 1 0 349.435 2.244 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422192 466077758 /nfs/dbraw/zinc/07/77/58/466077758.db2.gz UNRMNWZYLLCSKS-PSLIRLAXSA-N 1 0 339.342 2.014 20 5 EEBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCOCCO)cc1[N+](=O)[O-] ZINC000340469150 466110906 /nfs/dbraw/zinc/11/09/06/466110906.db2.gz HEWXRVCEZXIIHD-UHFFFAOYSA-N 1 0 345.399 2.461 20 5 EEBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363046527 466192846 /nfs/dbraw/zinc/19/28/46/466192846.db2.gz ZYDQQQSEXPKBBH-UHFFFAOYSA-N 1 0 343.431 2.425 20 5 EEBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000367359938 466286979 /nfs/dbraw/zinc/28/69/79/466286979.db2.gz CXAOONQHRGGUIV-QGZVFWFLSA-N 1 0 335.404 2.408 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000372442558 466384911 /nfs/dbraw/zinc/38/49/11/466384911.db2.gz RWWKJJPTTLZMBP-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000332124878 466401483 /nfs/dbraw/zinc/40/14/83/466401483.db2.gz XLVFVIFSHQWCAH-UHFFFAOYSA-N 1 0 349.435 2.389 20 5 EEBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332269351 466479868 /nfs/dbraw/zinc/47/98/68/466479868.db2.gz GBMIJLHJNFDCIL-CHWSQXEVSA-N 1 0 330.388 2.101 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073534 466532540 /nfs/dbraw/zinc/53/25/40/466532540.db2.gz XLVOCWLLTKDHPC-NQBHXWOUSA-N 1 0 332.360 2.266 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000354421770 466555348 /nfs/dbraw/zinc/55/53/48/466555348.db2.gz GXYQHUBJRKZAJC-VXGBXAGGSA-N 1 0 345.403 2.416 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000347336204 466574542 /nfs/dbraw/zinc/57/45/42/466574542.db2.gz AMEOCOIMXMUTLE-MDWZMJQESA-N 1 0 340.383 2.150 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000347433372 466629821 /nfs/dbraw/zinc/62/98/21/466629821.db2.gz QALDCDWXTMFNEM-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2c1 ZINC000325191079 466654696 /nfs/dbraw/zinc/65/46/96/466654696.db2.gz AAZOSVXHIIEIEC-HUUCEWRRSA-N 1 0 328.372 2.418 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000374727105 466726825 /nfs/dbraw/zinc/72/68/25/466726825.db2.gz AXOFZXZOMZGKJG-CQSZACIVSA-N 1 0 326.360 2.088 20 5 EEBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192771 466740699 /nfs/dbraw/zinc/74/06/99/466740699.db2.gz XWVPVEGWIUHOEN-SWLSCSKDSA-N 1 0 339.779 2.344 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373280315 466751676 /nfs/dbraw/zinc/75/16/76/466751676.db2.gz WUWIPRHYYJCLNE-PXAZEXFGSA-N 1 0 333.388 2.077 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN)C1CCCC1 ZINC000423505038 466760277 /nfs/dbraw/zinc/76/02/77/466760277.db2.gz HAKMVAPUEHXRMN-LRDDRELGSA-N 1 0 334.420 2.419 20 5 EEBDRO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCCC1 ZINC000373308789 466761429 /nfs/dbraw/zinc/76/14/29/466761429.db2.gz NDINEJWLSFEUPD-CQSZACIVSA-N 1 0 349.435 2.219 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417211419 466802932 /nfs/dbraw/zinc/80/29/32/466802932.db2.gz ABJAXEXBUCDUCE-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO NC(=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417320663 466833809 /nfs/dbraw/zinc/83/38/09/466833809.db2.gz KHWYUZWKERWXQW-INIZCTEOSA-N 1 0 347.415 2.234 20 5 EEBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411638760 466862189 /nfs/dbraw/zinc/86/21/89/466862189.db2.gz DZENQIKUFWSLAY-KBPBESRZSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000411726126 466888083 /nfs/dbraw/zinc/88/80/83/466888083.db2.gz XMMWKMCWUUMFOL-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000373805471 466925358 /nfs/dbraw/zinc/92/53/58/466925358.db2.gz DKIOZWUOHQOPRP-NKFCBESUSA-N 1 0 349.387 2.088 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000418616545 467136154 /nfs/dbraw/zinc/13/61/54/467136154.db2.gz HWCOJXOLPVUUID-MRXNPFEDSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413037192 467158927 /nfs/dbraw/zinc/15/89/27/467158927.db2.gz FNSUBNILCUXJHV-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CCCO)c(C(F)(F)F)c1 ZINC000413323896 467216502 /nfs/dbraw/zinc/21/65/02/467216502.db2.gz ISYVZLSZYUUDOM-JTQLQIEISA-N 1 0 348.325 2.267 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000420229854 467325495 /nfs/dbraw/zinc/32/54/95/467325495.db2.gz ONJGEFRPHOWUJZ-MRVWCRGKSA-N 1 0 329.360 2.208 20 5 EEBDRO Cc1c(Br)c(NC[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420290587 467339686 /nfs/dbraw/zinc/33/96/86/467339686.db2.gz UQFAREZWNHMCDA-UWVGGRQHSA-N 1 0 343.225 2.990 20 5 EEBDRO Cc1noc(C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc2)n1 ZINC000429536830 467343109 /nfs/dbraw/zinc/34/31/09/467343109.db2.gz PJGXBTVROMFLGO-AWEZNQCLSA-N 1 0 342.359 2.056 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581058 467428414 /nfs/dbraw/zinc/42/84/14/467428414.db2.gz GNESQZUYBLGGTG-XQQFMLRXSA-N 1 0 334.420 2.472 20 5 EEBDRO CC[NH+]1CCC(N2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000420631594 467438504 /nfs/dbraw/zinc/43/85/04/467438504.db2.gz VLIBYLCELZWHQG-UHFFFAOYSA-N 1 0 347.463 2.295 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580021 467445668 /nfs/dbraw/zinc/44/56/68/467445668.db2.gz DCXHDOGJPVBBCX-CVEARBPZSA-N 1 0 334.420 2.005 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591355 467447671 /nfs/dbraw/zinc/44/76/71/467447671.db2.gz AQZVZUQVBAYDOD-GFCCVEGCSA-N 1 0 342.827 2.492 20 5 EEBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624341 467481821 /nfs/dbraw/zinc/48/18/21/467481821.db2.gz JDRSXBQYSNEDTP-HNNXBMFYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408013941 467495931 /nfs/dbraw/zinc/49/59/31/467495931.db2.gz ZFEVPALAKZQBPN-MBNYWOFBSA-N 1 0 349.435 2.114 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448974231 467609714 /nfs/dbraw/zinc/60/97/14/467609714.db2.gz JHHNBMWJVKBDSZ-UHFFFAOYSA-N 1 0 347.415 2.358 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449209995 467623670 /nfs/dbraw/zinc/62/36/70/467623670.db2.gz SUOYLVWQNPKEIN-QWHCGFSZSA-N 1 0 333.388 2.065 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449696585 467693014 /nfs/dbraw/zinc/69/30/14/467693014.db2.gz KHPMXKXGKIUPAL-GJZGRUSLSA-N 1 0 347.415 2.212 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](C1CC1)[NH+](C)C ZINC000450312900 467823896 /nfs/dbraw/zinc/82/38/96/467823896.db2.gz OGMGFPVILYKZAR-HNNXBMFYSA-N 1 0 330.388 2.326 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458565934 467858587 /nfs/dbraw/zinc/85/85/87/467858587.db2.gz BQBRVQZWCOIHDA-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494251982 468040148 /nfs/dbraw/zinc/04/01/48/468040148.db2.gz UUPBNVCMRUQNOI-BDJLRTHQSA-N 1 0 337.376 2.089 20 5 EEBDRO Cc1n[nH]c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000488877528 468109898 /nfs/dbraw/zinc/10/98/98/468109898.db2.gz KJMGUEASQRKHFY-UHFFFAOYSA-N 1 0 349.435 2.497 20 5 EEBDRO CC(C)Oc1nc(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000565842584 468138782 /nfs/dbraw/zinc/13/87/82/468138782.db2.gz HKDBBHXFBMAGCH-HNNXBMFYSA-N 1 0 340.449 2.626 20 5 EEBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590183052 468222204 /nfs/dbraw/zinc/22/22/04/468222204.db2.gz RGSPEHNHGFEXGQ-VIFPVBQESA-N 1 0 331.294 2.311 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556193034 468514498 /nfs/dbraw/zinc/51/44/98/468514498.db2.gz NJPAFQPTQXUYQE-QGZVFWFLSA-N 1 0 347.463 2.375 20 5 EEBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000591757493 468514891 /nfs/dbraw/zinc/51/48/91/468514891.db2.gz SKRDSZWEGHHYHQ-INIZCTEOSA-N 1 0 345.399 2.297 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000597619934 468618231 /nfs/dbraw/zinc/61/82/31/468618231.db2.gz JYVTWMLMYFUNDA-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597708515 468647293 /nfs/dbraw/zinc/64/72/93/468647293.db2.gz OADCRNGBICFSFO-UHFFFAOYSA-N 1 0 346.412 2.352 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253701 468665133 /nfs/dbraw/zinc/66/51/33/468665133.db2.gz LMYNCNCOJCLOSD-CABCVRRESA-N 1 0 347.415 2.212 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255424 468666231 /nfs/dbraw/zinc/66/62/31/468666231.db2.gz OYTFZYOXBDXJIT-UONOGXRCSA-N 1 0 347.415 2.455 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1[NH3+] ZINC000592332251 468679171 /nfs/dbraw/zinc/67/91/71/468679171.db2.gz INNBGCPWAIRCBZ-BXUZGUMPSA-N 1 0 328.372 2.342 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597855045 468694505 /nfs/dbraw/zinc/69/45/05/468694505.db2.gz PWCYSOWZHQGWFX-LLVKDONJSA-N 1 0 345.403 2.321 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])c1C ZINC000592568325 468731725 /nfs/dbraw/zinc/73/17/25/468731725.db2.gz MRNYBKARALBOSY-ZDUSSCGKSA-N 1 0 333.388 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000601099967 468740869 /nfs/dbraw/zinc/74/08/69/468740869.db2.gz CDVXIPYFFOSANU-OAHLLOKOSA-N 1 0 342.399 2.444 20 5 EEBDRO CCCN1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097186 468758703 /nfs/dbraw/zinc/75/87/03/468758703.db2.gz RUCFNYYDKIESBW-HIFRSBDPSA-N 1 0 334.420 2.386 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000560093032 468767312 /nfs/dbraw/zinc/76/73/12/468767312.db2.gz AEFGGDNWKYZHMV-NSHDSACASA-N 1 0 339.367 2.203 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595344486 468818429 /nfs/dbraw/zinc/81/84/29/468818429.db2.gz FRFMCVSXYPWKAB-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595346935 468819712 /nfs/dbraw/zinc/81/97/12/468819712.db2.gz YMUXFNQSHNFHSV-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595444733 468855564 /nfs/dbraw/zinc/85/55/64/468855564.db2.gz CWEKIMQEOQYXKR-JTQLQIEISA-N 1 0 349.284 2.234 20 5 EEBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595462721 468862396 /nfs/dbraw/zinc/86/23/96/468862396.db2.gz WTMVIJLALBNXSE-HNNXBMFYSA-N 1 0 325.365 2.302 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472321 468866517 /nfs/dbraw/zinc/86/65/17/468866517.db2.gz KXCLCJPMMIGCID-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562561 468914320 /nfs/dbraw/zinc/91/43/20/468914320.db2.gz WPKUXTQEBUTUHC-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598605639 468930000 /nfs/dbraw/zinc/93/00/00/468930000.db2.gz CKQZKIYMNOXNRJ-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598650912 468946000 /nfs/dbraw/zinc/94/60/00/468946000.db2.gz QCLXDWLNKIMUHM-GXTWGEPZSA-N 1 0 335.404 2.182 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000572544352 468948587 /nfs/dbraw/zinc/94/85/87/468948587.db2.gz IMDSLQYDCKYTRM-OAHLLOKOSA-N 1 0 347.415 2.279 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000610576959 469008560 /nfs/dbraw/zinc/00/85/60/469008560.db2.gz MZJYOEZPPMSQCP-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000598914016 469048443 /nfs/dbraw/zinc/04/84/43/469048443.db2.gz VKUWBERHNXDEPL-BBRMVZONSA-N 1 0 348.403 2.345 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000595991140 469108538 /nfs/dbraw/zinc/10/85/38/469108538.db2.gz GVWBRZURQZMUFV-SFHVURJKSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000602841794 469111189 /nfs/dbraw/zinc/11/11/89/469111189.db2.gz SEOGTOGFTUYOBX-ZUZCIYMTSA-N 1 0 336.417 2.453 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000599085325 469111639 /nfs/dbraw/zinc/11/16/39/469111639.db2.gz POYRLVXEZBOXGG-MOPGFXCFSA-N 1 0 341.411 2.340 20 5 EEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](c2ccccc2)C1 ZINC000596062877 469133744 /nfs/dbraw/zinc/13/37/44/469133744.db2.gz SQJWTHDEJMYWDO-QGZVFWFLSA-N 1 0 340.383 2.187 20 5 EEBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596087187 469148708 /nfs/dbraw/zinc/14/87/08/469148708.db2.gz GFSXFCQXMTXAAD-CYBMUJFWSA-N 1 0 332.404 2.382 20 5 EEBDRO C[N@H+](CCc1ccccc1)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602083478 469179809 /nfs/dbraw/zinc/17/98/09/469179809.db2.gz AXLPRDTWMPEPNP-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO O=[N+]([O-])c1ccc(CCn2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000603198495 469306409 /nfs/dbraw/zinc/30/64/09/469306409.db2.gz URBRKMWHSSYKEE-UHFFFAOYSA-N 1 0 329.404 2.457 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707590 469306601 /nfs/dbraw/zinc/30/66/01/469306601.db2.gz KBBCSSCJQQQYRL-UHFFFAOYSA-N 1 0 347.419 2.333 20 5 EEBDRO Cc1n[nH]cc1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602510623 469344484 /nfs/dbraw/zinc/34/44/84/469344484.db2.gz KRXRXHIDHKYVBP-UHFFFAOYSA-N 1 0 344.419 2.213 20 5 EEBDRO CC(=O)NCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602510347 469344602 /nfs/dbraw/zinc/34/46/02/469344602.db2.gz GTNXTBZXOHVJJU-UHFFFAOYSA-N 1 0 336.211 2.035 20 5 EEBDRO CCc1nn(C)c(N(C)CCC[N@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000603399693 469377764 /nfs/dbraw/zinc/37/77/64/469377764.db2.gz ICQCPKMQFSGVFL-UHFFFAOYSA-N 1 0 346.435 2.244 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603671244 469422466 /nfs/dbraw/zinc/42/24/66/469422466.db2.gz MYIPVXCAAXROBV-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603871463 469438689 /nfs/dbraw/zinc/43/86/89/469438689.db2.gz LMQXZKUWNUSZCR-UHFFFAOYSA-N 1 0 334.420 2.250 20 5 EEBDRO CSc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000604511263 469485084 /nfs/dbraw/zinc/48/50/84/469485084.db2.gz OPLODHKKUINATO-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000604546911 469490099 /nfs/dbraw/zinc/49/00/99/469490099.db2.gz KZHCQCVCUBQYGQ-UHFFFAOYSA-N 1 0 349.435 2.355 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000610296528 470001484 /nfs/dbraw/zinc/00/14/84/470001484.db2.gz ALKAZCADLSVMFH-AWEZNQCLSA-N 1 0 328.372 2.269 20 5 EEBDRO CCN(CC[NH3+])C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000602539272 485642632 /nfs/dbraw/zinc/64/26/32/485642632.db2.gz IEDNOAWRQJREHJ-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCOC2=O)cc1 ZINC000181267267 533876198 /nfs/dbraw/zinc/87/61/98/533876198.db2.gz LKPRMNLKXLWTOU-LBPRGKRZSA-N 1 0 345.359 2.099 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C ZINC000183410631 533955750 /nfs/dbraw/zinc/95/57/50/533955750.db2.gz BWFJZZPDHTXHNE-WDEREUQCSA-N 1 0 331.376 2.315 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190163841 534306945 /nfs/dbraw/zinc/30/69/45/534306945.db2.gz MCAPYCOHCQXVFN-HNNXBMFYSA-N 1 0 344.371 2.491 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187000336 527845627 /nfs/dbraw/zinc/84/56/27/527845627.db2.gz ZXXKFAMKAFWGCL-UHFFFAOYSA-N 1 0 344.371 2.077 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181069130 527961740 /nfs/dbraw/zinc/96/17/40/527961740.db2.gz WQYSNAQMIDRIIR-UHFFFAOYSA-N 1 0 349.387 2.174 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000178567176 528268283 /nfs/dbraw/zinc/26/82/83/528268283.db2.gz FXTFIFCPTMOAMV-AWEZNQCLSA-N 1 0 346.431 2.252 20 5 EEBDRO CC(C)[C@H](CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130409075 528986806 /nfs/dbraw/zinc/98/68/06/528986806.db2.gz UIHXRDBCKLPJGW-ZDUSSCGKSA-N 1 0 327.356 2.059 20 5 EEBDRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817603 529132144 /nfs/dbraw/zinc/13/21/44/529132144.db2.gz QCLKIATUZHSLPS-GJZGRUSLSA-N 1 0 348.447 2.106 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236820881 535171903 /nfs/dbraw/zinc/17/19/03/535171903.db2.gz QAVCADGEEDQOPE-UHFFFAOYSA-N 1 0 349.309 2.265 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])CC1 ZINC000236667869 535283768 /nfs/dbraw/zinc/28/37/68/535283768.db2.gz PGTCXOKHRRLRPL-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000423570152 535427651 /nfs/dbraw/zinc/42/76/51/535427651.db2.gz NGCHFORRJWNBQP-GLQYFDAESA-N 1 0 333.388 2.193 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264103448 535525911 /nfs/dbraw/zinc/52/59/11/535525911.db2.gz BAKSBCXZXKBBNB-UHFFFAOYSA-N 1 0 329.422 2.087 20 5 EEBDRO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000729339858 576634554 /nfs/dbraw/zinc/63/45/54/576634554.db2.gz DELSAQJTMMRGHP-HNNXBMFYSA-N 1 0 346.387 2.401 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000771859333 577234643 /nfs/dbraw/zinc/23/46/43/577234643.db2.gz DSQNSYNZVWMGOJ-LBPRGKRZSA-N 1 0 332.360 2.238 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000767999557 577548846 /nfs/dbraw/zinc/54/88/46/577548846.db2.gz IJFAFWNFLCNLKY-UHFFFAOYSA-N 1 0 335.339 2.333 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000758184500 577617815 /nfs/dbraw/zinc/61/78/15/577617815.db2.gz DLSPKWGKSVDQPY-ZWKOTPCHSA-N 1 0 330.384 2.212 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759113461 577637355 /nfs/dbraw/zinc/63/73/55/577637355.db2.gz DJFIVNSDCDJBFT-MRXNPFEDSA-N 1 0 332.404 2.321 20 5 EEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760890545 577671453 /nfs/dbraw/zinc/67/14/53/577671453.db2.gz XSZVVJUUVKBXAL-ZWKOTPCHSA-N 1 0 349.431 2.347 20 5 EEBDRO COc1ccc(OCC[NH+]2CCC(OC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000753190938 577783042 /nfs/dbraw/zinc/78/30/42/577783042.db2.gz ORHMEMWXGZTPJN-UHFFFAOYSA-N 1 0 338.360 2.010 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755790402 577831491 /nfs/dbraw/zinc/83/14/91/577831491.db2.gz OBIJIQXZIRQVPM-GFCCVEGCSA-N 1 0 326.360 2.125 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000742426732 577872859 /nfs/dbraw/zinc/87/28/59/577872859.db2.gz NQZKUPQTDAGNKZ-HNNXBMFYSA-N 1 0 346.431 2.408 20 5 EEBDRO CC(C)CNC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742588308 577874189 /nfs/dbraw/zinc/87/41/89/577874189.db2.gz CUQJZKFGMXELEN-UHFFFAOYSA-N 1 0 349.431 2.458 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C3CCCCC3)CC2)c1 ZINC000743265348 577882429 /nfs/dbraw/zinc/88/24/29/577882429.db2.gz VDFALQUYCLCDJD-KRWDZBQOSA-N 1 0 336.436 2.445 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000744798901 577903224 /nfs/dbraw/zinc/90/32/24/577903224.db2.gz QYEXWVLTOBQDNP-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000745695519 577917091 /nfs/dbraw/zinc/91/70/91/577917091.db2.gz BXZGQYSFWBYPJV-AWEZNQCLSA-N 1 0 334.420 2.311 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000747840019 577951168 /nfs/dbraw/zinc/95/11/68/577951168.db2.gz HFEUPKCRCMOQOU-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000748603714 577964849 /nfs/dbraw/zinc/96/48/49/577964849.db2.gz YTBSRAAXMUMFRJ-CQSZACIVSA-N 1 0 340.474 2.319 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c2ccncc21 ZINC000741747617 578123453 /nfs/dbraw/zinc/12/34/53/578123453.db2.gz CZKUQUNOQDHHAR-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736568399 578212046 /nfs/dbraw/zinc/21/20/46/578212046.db2.gz BJUASWCYINPYKE-NEPJUHHUSA-N 1 0 345.407 2.084 20 5 EEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261743980 676394275 /nfs/dbraw/zinc/39/42/75/676394275.db2.gz LAJFQFIOKKRUDN-AWEZNQCLSA-N 1 0 335.795 2.128 20 5 EEBDRO CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000891759093 676819221 /nfs/dbraw/zinc/81/92/21/676819221.db2.gz XLIMBGTWGJPAKW-CYBMUJFWSA-N 1 0 340.811 2.184 20 5 EEBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCOCC1 ZINC001022852851 678646846 /nfs/dbraw/zinc/64/68/46/678646846.db2.gz USAYDFLFRBZCGH-GASCZTMLSA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892536508 681626847 /nfs/dbraw/zinc/62/68/47/681626847.db2.gz FVNYWSIPJLLAHO-CVEARBPZSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC000983006514 681648908 /nfs/dbraw/zinc/64/89/08/681648908.db2.gz JXXKELFXTIFUDQ-CTYIDZIISA-N 1 0 340.383 2.288 20 5 EEBDRO COC(=O)c1cc(NC(=O)CCCn2ccnc2C)cc([N+](=O)[O-])c1 ZINC000136146543 683014523 /nfs/dbraw/zinc/01/45/23/683014523.db2.gz OKUAVBWHUBPHBF-UHFFFAOYSA-N 1 0 346.343 2.305 20 5 EEBDRO CC[NH+](CC)CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000152850784 683554583 /nfs/dbraw/zinc/55/45/83/683554583.db2.gz XCZDCWDCOYDBNQ-UHFFFAOYSA-N 1 0 340.336 2.043 20 5 EEBDRO CS(=O)(=O)C1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000893091745 683728257 /nfs/dbraw/zinc/72/82/57/683728257.db2.gz FYXBWEJIXQUNSG-UHFFFAOYSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001026145670 683913520 /nfs/dbraw/zinc/91/35/20/683913520.db2.gz URLJGZNMPJZJIO-FVQHAEBGSA-N 1 0 340.383 2.092 20 5 EEBDRO CC(=O)N1C[C@@H]2C[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000895576273 684646425 /nfs/dbraw/zinc/64/64/25/684646425.db2.gz MUONMUQTQDOTRR-GIWLZJNWSA-N 1 0 329.400 2.408 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001059413523 684918107 /nfs/dbraw/zinc/91/81/07/684918107.db2.gz KWEULMXVLGJLLS-SHTZXODSSA-N 1 0 346.431 2.386 20 5 EEBDRO C[N@H+](CC1CCOCC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124711787 686088250 /nfs/dbraw/zinc/08/82/50/686088250.db2.gz DOCMEGZPLIBWIW-UHFFFAOYSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000124900027 686146604 /nfs/dbraw/zinc/14/66/04/686146604.db2.gz ABIPLQHKKIBWDY-ZJUUUORDSA-N 1 0 347.824 2.105 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841012121 691491343 /nfs/dbraw/zinc/49/13/43/691491343.db2.gz ZTDWPUYLNQCXMH-WPRPVWTQSA-N 1 0 330.747 2.412 20 5 EEBDRO CC(C)(F)C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989843502 692378516 /nfs/dbraw/zinc/37/85/16/692378516.db2.gz MUUCCQDRDQNJKC-UHFFFAOYSA-N 1 0 329.397 2.485 20 5 EEBDRO COc1ccccc1COC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000179361247 693141284 /nfs/dbraw/zinc/14/12/84/693141284.db2.gz NXUAIHLZZOSRNS-UHFFFAOYSA-N 1 0 346.387 2.439 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001101954296 1188076843 /nfs/dbraw/zinc/07/68/43/1188076843.db2.gz AAXBAQQFJRLQQY-UHFFFAOYSA-N 1 0 336.436 2.443 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001005378022 1195331978 /nfs/dbraw/zinc/33/19/78/1195331978.db2.gz HTCGCHLXCVJCMN-IJKBJJPYSA-N 1 0 343.427 2.288 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000872090084 1198044559 /nfs/dbraw/zinc/04/45/59/1198044559.db2.gz LIWFIMMDBODCDQ-WCQYABFASA-N 1 0 325.434 2.034 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(F)(F)F ZINC000872149563 1198058144 /nfs/dbraw/zinc/05/81/44/1198058144.db2.gz OQPBVUYFEBILGH-WPRPVWTQSA-N 1 0 344.293 2.305 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865576649 1198283382 /nfs/dbraw/zinc/28/33/82/1198283382.db2.gz SGJOZNAOIXNKIN-CYBMUJFWSA-N 1 0 337.395 2.394 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000825874009 1199616892 /nfs/dbraw/zinc/61/68/92/1199616892.db2.gz SKFVEXSQGIUAJI-CABCVRRESA-N 1 0 343.468 2.075 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825909828 1199774254 /nfs/dbraw/zinc/77/42/54/1199774254.db2.gz JUSPVKQMEGWGRT-HOCLYGCPSA-N 1 0 335.404 2.009 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000811600461 1200166672 /nfs/dbraw/zinc/16/66/72/1200166672.db2.gz GKRZAKYLLDPTSZ-VIFPVBQESA-N 1 0 337.405 2.058 20 5 EEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000878147779 1200284434 /nfs/dbraw/zinc/28/44/34/1200284434.db2.gz BBINOSXSDQSZGJ-INIZCTEOSA-N 1 0 332.404 2.464 20 5 EEBDRO O=C(Cc1cc(F)ccc1F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133033963 1200359435 /nfs/dbraw/zinc/35/94/35/1200359435.db2.gz UVXKQMPGNOLOLP-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000866368264 1201501339 /nfs/dbraw/zinc/50/13/39/1201501339.db2.gz ZJBGVMWYJNZPPS-WQVCFCJDSA-N 1 0 337.395 2.118 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866681110 1201578598 /nfs/dbraw/zinc/57/85/98/1201578598.db2.gz UNKVYWVGUZJZEF-GARJFASQSA-N 1 0 338.795 2.011 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882046336 1201807602 /nfs/dbraw/zinc/80/76/02/1201807602.db2.gz SXPPDZCIUILQTP-GFCCVEGCSA-N 1 0 326.372 2.066 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000882075493 1201812215 /nfs/dbraw/zinc/81/22/15/1201812215.db2.gz WIPOIEGQODKCOT-VXGBXAGGSA-N 1 0 326.372 2.430 20 5 EEBDRO Cc1cccc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000882814778 1201949497 /nfs/dbraw/zinc/94/94/97/1201949497.db2.gz SYTMBGQLCXVPJO-UHFFFAOYSA-N 1 0 346.431 2.213 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)[C@@H](O)C3)s2)cc1 ZINC000886255800 1202484953 /nfs/dbraw/zinc/48/49/53/1202484953.db2.gz KUZYURRTJSEYHX-SHHSBJBSSA-N 1 0 334.397 2.297 20 5 EEBDRO Cc1ccc(N2CCC(CNC(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095377953 1204497925 /nfs/dbraw/zinc/49/79/25/1204497925.db2.gz DCDABNXOPIWJSB-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000929092671 1206446671 /nfs/dbraw/zinc/44/66/71/1206446671.db2.gz VKVMTSAAPKLTBN-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931047111 1206602732 /nfs/dbraw/zinc/60/27/32/1206602732.db2.gz XPIUQEQAKLKTFG-ZWNOBZJWSA-N 1 0 340.811 2.211 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000080393470 1210887126 /nfs/dbraw/zinc/88/71/26/1210887126.db2.gz GJFLLFQLSRMCBU-UHFFFAOYSA-N 1 0 334.420 2.219 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000796456501 1218290982 /nfs/dbraw/zinc/29/09/82/1218290982.db2.gz PAAMWMGCLAAUBU-UHFFFAOYSA-N 1 0 340.380 2.303 20 5 EEBDRO Cc1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC001020018882 1229444529 /nfs/dbraw/zinc/44/45/29/1229444529.db2.gz OFGWZKNESAYZQW-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020138847 1229505013 /nfs/dbraw/zinc/50/50/13/1229505013.db2.gz DQDDHWJBUVLZGJ-QBPKDAKJSA-N 1 0 331.416 2.212 20 5 EEBDRO CCc1cccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001045436314 1233744270 /nfs/dbraw/zinc/74/42/70/1233744270.db2.gz PQZMLKQWUYPQLB-IAGOWNOFSA-N 1 0 345.443 2.385 20 5 EEBDRO O=C(CC[N@@H+]1CCCC[C@@H]1C1OCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000800337539 1234054059 /nfs/dbraw/zinc/05/40/59/1234054059.db2.gz JITKEAOBVZCWTG-OAHLLOKOSA-N 1 0 349.387 2.151 20 5 EEBDRO C[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595560 1234537381 /nfs/dbraw/zinc/53/73/81/1234537381.db2.gz IUFZEAUMURYQRY-SSDOTTSWSA-N 1 0 326.154 2.017 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)C(=O)OC)cc1[N+](=O)[O-] ZINC000850548386 1277263533 /nfs/dbraw/zinc/26/35/33/1277263533.db2.gz PVVKVVGOKYPSBJ-NSHDSACASA-N 1 0 325.365 2.342 20 5 EEBDRO COCCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199496361 1285679792 /nfs/dbraw/zinc/67/97/92/1285679792.db2.gz BQAYTOGELVMOET-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CCOC(=O)c1ccc(O[C@H]2CCNCC2(F)F)c([N+](=O)[O-])c1 ZINC001218007958 1297546213 /nfs/dbraw/zinc/54/62/13/1297546213.db2.gz SRKNOPHEQMYWME-LBPRGKRZSA-N 1 0 330.287 2.148 20 5 EEBDRO COCC1(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001201596435 1289663684 /nfs/dbraw/zinc/66/36/84/1289663684.db2.gz UGLPEYUSKUQXQG-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000853129097 1292291588 /nfs/dbraw/zinc/29/15/88/1292291588.db2.gz LHXGGBGPDGQVQD-MOPGFXCFSA-N 1 0 341.411 2.492 20 5 EEBDRO COC(=O)c1ccnc(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000856724651 1293607877 /nfs/dbraw/zinc/60/78/77/1293607877.db2.gz RIPNIYMURUQWAS-UHFFFAOYSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000857767990 1293911409 /nfs/dbraw/zinc/91/14/09/1293911409.db2.gz JNEGYUMIAVEOQM-GHMZBOCLSA-N 1 0 343.330 2.010 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858579240 1294159159 /nfs/dbraw/zinc/15/91/59/1294159159.db2.gz PLDOFECBDBZVMV-NWDGAFQWSA-N 1 0 341.433 2.463 20 5 EEBDRO CC[C@@H]1C[C@H](C)CN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637204 1296501009 /nfs/dbraw/zinc/50/10/09/1296501009.db2.gz QNVXUEBVSJTCHR-NWDGAFQWSA-N 1 0 332.360 2.489 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC3(C2)OCCO3)n1 ZINC000927001911 1296986473 /nfs/dbraw/zinc/98/64/73/1296986473.db2.gz QLZHCQZSWZGYDI-UONOGXRCSA-N 1 0 336.392 2.018 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217977319 1297540007 /nfs/dbraw/zinc/54/00/07/1297540007.db2.gz AGKVZMDUFZZLJT-RISCZKNCSA-N 1 0 326.324 2.159 20 5 EEBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218043062 1297556523 /nfs/dbraw/zinc/55/65/23/1297556523.db2.gz CDJDIPPNEAKFDM-PRHODGIISA-N 1 0 328.752 2.412 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001221312722 1298768878 /nfs/dbraw/zinc/76/88/78/1298768878.db2.gz DUWVKNQEDRPPGU-UHFFFAOYSA-N 1 0 343.387 2.098 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC001101829273 1299922463 /nfs/dbraw/zinc/92/24/63/1299922463.db2.gz GSZCGPFYVBEFLD-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO CCOC(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001223966292 1300356352 /nfs/dbraw/zinc/35/63/52/1300356352.db2.gz IJVSUCLXYCOBFF-LBPRGKRZSA-N 1 0 325.385 2.383 20 5 EEBDRO CCOC(=O)c1ccc(CO[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223966982 1300356765 /nfs/dbraw/zinc/35/67/65/1300356765.db2.gz QSBLKTJLFLPQOL-INIZCTEOSA-N 1 0 334.372 2.382 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001224853634 1300758491 /nfs/dbraw/zinc/75/84/91/1300758491.db2.gz WRQPBOCQFSXQJE-UONOGXRCSA-N 1 0 331.477 2.470 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001225450006 1301000906 /nfs/dbraw/zinc/00/09/06/1301000906.db2.gz DKZZIKFOQVJFQI-ATCWAGBWSA-N 1 0 334.372 2.491 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc(Br)cnc21 ZINC001226349267 1301370780 /nfs/dbraw/zinc/37/07/80/1301370780.db2.gz QJFANAKJIDQMGU-SECBINFHSA-N 1 0 326.218 2.261 20 5 EEBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)c(C(N)=O)cc1-c1ccncc1 ZINC001227264854 1301756048 /nfs/dbraw/zinc/75/60/48/1301756048.db2.gz XJVGZJXTEGTGRX-LBPRGKRZSA-O 1 0 329.424 2.024 20 5 EEBDRO CC[C@H](C)OC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227415706 1301818282 /nfs/dbraw/zinc/81/82/82/1301818282.db2.gz ZPCJBDGARXYFQX-DZGCQCFKSA-N 1 0 338.424 2.005 20 5 EEBDRO O=[N+]([O-])c1c[nH]cc2nc(OC3CCN(c4cc[nH+]cc4)CC3)nc1-2 ZINC001230230089 1303118737 /nfs/dbraw/zinc/11/87/37/1303118737.db2.gz KHEGETPEGIULPE-UHFFFAOYSA-N 1 0 340.343 2.309 20 5 EEBDRO COCC[NH+]1CCC(Oc2ccc(C)c([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001230493316 1303227245 /nfs/dbraw/zinc/22/72/45/1303227245.db2.gz ZYVHPUACMKVYAZ-UHFFFAOYSA-N 1 0 339.348 2.301 20 5 EEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH+]1CCCC1 ZINC000780584078 1303676137 /nfs/dbraw/zinc/67/61/37/1303676137.db2.gz ZESDKTHFFXKMCT-CHWSQXEVSA-N 1 0 349.416 2.147 20 5 EEBDRO O=C1NCC[C@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]12 ZINC001232224896 1304043915 /nfs/dbraw/zinc/04/39/15/1304043915.db2.gz KHDWZZNCHPDUML-DOTOQJQBSA-N 1 0 332.407 2.351 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cscn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235625744 1305303382 /nfs/dbraw/zinc/30/33/82/1305303382.db2.gz GYUGZKNFNVGVNM-UHFFFAOYSA-N 1 0 334.401 2.303 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](CC[N+](=O)[O-])C2)CC1 ZINC001119840887 1309226709 /nfs/dbraw/zinc/22/67/09/1309226709.db2.gz PBLUWARNZVKRMN-UHFFFAOYSA-N 1 0 327.425 2.376 20 5 EEBDRO CC(C)[C@@H](F)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001121161248 1309937816 /nfs/dbraw/zinc/93/78/16/1309937816.db2.gz VBUZOBDHUKPKFM-OAHLLOKOSA-N 1 0 338.383 2.279 20 5 EEBDRO Cc1ccnc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248213825 1310864019 /nfs/dbraw/zinc/86/40/19/1310864019.db2.gz HSMBQGLMUHJGAK-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840184278 1315320746 /nfs/dbraw/zinc/32/07/46/1315320746.db2.gz KFZRVIMKOLUTHZ-INIZCTEOSA-N 1 0 332.360 2.177 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162290 1315493590 /nfs/dbraw/zinc/49/35/90/1315493590.db2.gz SHUFBYWZQKGRGQ-ZETCQYMHSA-N 1 0 331.170 2.216 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856590 1315624729 /nfs/dbraw/zinc/62/47/29/1315624729.db2.gz SZUSXIPLBKBTPG-GFCCVEGCSA-N 1 0 326.784 2.142 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475793 1315712764 /nfs/dbraw/zinc/71/27/64/1315712764.db2.gz CMPAHUIEYBJGBP-GLKRBJQHSA-N 1 0 338.383 2.039 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000842479806 1315713749 /nfs/dbraw/zinc/71/37/49/1315713749.db2.gz YTKWHXLFXYSOOB-DOTOQJQBSA-N 1 0 337.395 2.452 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000842776185 1315771598 /nfs/dbraw/zinc/77/15/98/1315771598.db2.gz ZRIWTAGXIASMRX-UHFFFAOYSA-N 1 0 347.824 2.059 20 5 EEBDRO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843094243 1315840344 /nfs/dbraw/zinc/84/03/44/1315840344.db2.gz JXHXTSUETHDOEQ-CRAIPNDOSA-N 1 0 346.383 2.003 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843347579 1315895969 /nfs/dbraw/zinc/89/59/69/1315895969.db2.gz WBAYKOXTKYLGJI-LLVKDONJSA-N 1 0 340.811 2.118 20 5 EEBDRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843349352 1315896998 /nfs/dbraw/zinc/89/69/98/1315896998.db2.gz VYYYAJQSERIPMZ-WDEREUQCSA-N 1 0 340.811 2.117 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843486877 1315922469 /nfs/dbraw/zinc/92/24/69/1315922469.db2.gz WUCQOGRTOBHPJO-UONOGXRCSA-N 1 0 346.431 2.123 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2cc(F)ccn2)no1)c1cccc([N+](=O)[O-])c1 ZINC001249278746 1317042007 /nfs/dbraw/zinc/04/20/07/1317042007.db2.gz PVACGGIEVIMDNG-GFCCVEGCSA-N 1 0 329.291 2.421 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)nn2)ccc1F ZINC001155039662 1317429641 /nfs/dbraw/zinc/42/96/41/1317429641.db2.gz VOGBDNCPOGSYHQ-QWRGUYRKSA-N 1 0 335.314 2.303 20 5 EEBDRO COc1nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155453120 1317602432 /nfs/dbraw/zinc/60/24/32/1317602432.db2.gz LMWWFGSNBAKMRO-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC001155480309 1317615916 /nfs/dbraw/zinc/61/59/16/1317615916.db2.gz VOOSUJFUKBCNFR-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO COc1nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)ncc1[N+](=O)[O-] ZINC001155903131 1317782650 /nfs/dbraw/zinc/78/26/50/1317782650.db2.gz HCEFYDXDRCDYOA-UHFFFAOYSA-N 1 0 327.344 2.413 20 5 EEBDRO Cn1cc(C[N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254476625 1318082516 /nfs/dbraw/zinc/08/25/16/1318082516.db2.gz UKVQMNBSECVEQW-UHFFFAOYSA-N 1 0 329.404 2.429 20 5 EEBDRO CCOC(=O)CC1([NH3+])CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550565 1318118796 /nfs/dbraw/zinc/11/87/96/1318118796.db2.gz LXQPTKWBDOJUQD-CQSZACIVSA-N 1 0 349.431 2.272 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001254563281 1318123177 /nfs/dbraw/zinc/12/31/77/1318123177.db2.gz VZVJWGLWQBUWAE-TZMCWYRMSA-N 1 0 327.388 2.499 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3ncccn3)CC1)C2 ZINC001254572354 1318125789 /nfs/dbraw/zinc/12/57/89/1318125789.db2.gz LKOWNQGSERTQCH-INIZCTEOSA-N 1 0 339.399 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)Cc1cccc(F)c1)C2 ZINC001254578251 1318129070 /nfs/dbraw/zinc/12/90/70/1318129070.db2.gz CEKIILBYQIJXCN-IRXDYDNUSA-N 1 0 330.359 2.394 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254583939 1318132822 /nfs/dbraw/zinc/13/28/22/1318132822.db2.gz DZRQLCMTFICJHK-HZPDHXFCSA-N 1 0 339.399 2.029 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OCC3CC3)ncn1)C2 ZINC001254587578 1318134433 /nfs/dbraw/zinc/13/44/33/1318134433.db2.gz QFWLWVILSJOUHH-OAHLLOKOSA-N 1 0 340.383 2.431 20 5 EEBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594578 1318135859 /nfs/dbraw/zinc/13/58/59/1318135859.db2.gz GEMHRGRNYAHOEP-FUHWJXTLSA-N 1 0 329.400 2.197 20 5 EEBDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599427 1318140621 /nfs/dbraw/zinc/14/06/21/1318140621.db2.gz ZFGQFPYVNVVVOH-SJLPKXTDSA-N 1 0 329.400 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ncccn1)[C@@H]1CCC[NH2+]C1)C2 ZINC001254604350 1318142229 /nfs/dbraw/zinc/14/22/29/1318142229.db2.gz VXNAWOCXLIOHEC-IAGOWNOFSA-N 1 0 339.399 2.111 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001156829699 1318231810 /nfs/dbraw/zinc/23/18/10/1318231810.db2.gz RYQMTTHWHWKEKP-UHFFFAOYSA-N 1 0 344.762 2.229 20 5 EEBDRO O=C(/C=C/c1ccc[nH]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157073817 1318383698 /nfs/dbraw/zinc/38/36/98/1318383698.db2.gz FGGNWOTXAZLTGN-BQYQJAHWSA-N 1 0 328.372 2.232 20 5 EEBDRO O=[N+]([O-])c1[n-]cnc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255456307 1318416147 /nfs/dbraw/zinc/41/61/47/1318416147.db2.gz IBJJDMGZHKIHDS-LBPRGKRZSA-N 1 0 340.343 2.357 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256100992 1318646582 /nfs/dbraw/zinc/64/65/82/1318646582.db2.gz XNKFBJSGVFNZLU-CZUORRHYSA-N 1 0 349.431 2.417 20 5 EEBDRO Cc1ncn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c1CSCC[NH3+] ZINC001157961413 1318949190 /nfs/dbraw/zinc/94/91/90/1318949190.db2.gz DGRCSDQDSGLPAG-UHFFFAOYSA-N 1 0 344.400 2.224 20 5 EEBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001158132787 1319035976 /nfs/dbraw/zinc/03/59/76/1319035976.db2.gz SJGQRHMOZOISKY-UHFFFAOYSA-N 1 0 342.334 2.186 20 5 EEBDRO C[C@@H]1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158186227 1319064307 /nfs/dbraw/zinc/06/43/07/1319064307.db2.gz PTCWAVZWFWQJDZ-PHDIDXHHSA-N 1 0 339.705 2.244 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158309512 1319164937 /nfs/dbraw/zinc/16/49/37/1319164937.db2.gz MCOMKNOPXQFFNY-HNNXBMFYSA-N 1 0 342.399 2.444 20 5 EEBDRO [NH3+]Cc1ccc2c(n1)N(c1ncnc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001158648826 1319354746 /nfs/dbraw/zinc/35/47/46/1319354746.db2.gz FZIMGPVFZPNANG-UHFFFAOYSA-N 1 0 336.355 2.476 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc2cccc(C[NH3+])c21 ZINC001160453848 1320165792 /nfs/dbraw/zinc/16/57/92/1320165792.db2.gz RJQZIBZFPGYGNM-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC001161463487 1320508373 /nfs/dbraw/zinc/50/83/73/1320508373.db2.gz DLSNCAHSECPGBQ-LBPRGKRZSA-N 1 0 339.827 2.190 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001162744926 1320947671 /nfs/dbraw/zinc/94/76/71/1320947671.db2.gz KHACVNWTFJZKFI-AWEZNQCLSA-N 1 0 335.367 2.428 20 5 EEBDRO CC(C)=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810247 1320964948 /nfs/dbraw/zinc/96/49/48/1320964948.db2.gz HMUMWFDTOWDSLE-QZTJIDSGSA-N 1 0 345.443 2.279 20 5 EEBDRO COC(=O)[C@@H](Nc1cc(OC(C)C)c([N+](=O)[O-])cc1C)C(C)(C)[NH3+] ZINC001162956617 1320996259 /nfs/dbraw/zinc/99/62/59/1320996259.db2.gz QJLMBQRBGBXJRT-CQSZACIVSA-N 1 0 339.392 2.381 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)ccc12 ZINC001163049763 1321023459 /nfs/dbraw/zinc/02/34/59/1321023459.db2.gz KZOPGCPPZGDCKV-GFCCVEGCSA-N 1 0 340.387 2.494 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163050867 1321023900 /nfs/dbraw/zinc/02/39/00/1321023900.db2.gz WPXALVXMJUFIRF-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccnc21 ZINC001163327049 1321098439 /nfs/dbraw/zinc/09/84/39/1321098439.db2.gz IQCFFMQKZRYDDU-SJCJKPOMSA-N 1 0 328.372 2.466 20 5 EEBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163898205 1321242267 /nfs/dbraw/zinc/24/22/67/1321242267.db2.gz UCRMAZSCSPTVMH-UHFFFAOYSA-N 1 0 336.710 2.423 20 5 EEBDRO COc1nc(NCc2cccc(C[NH+](C)C)c2)nc(C)c1[N+](=O)[O-] ZINC001163992213 1321265204 /nfs/dbraw/zinc/26/52/04/1321265204.db2.gz AVDXTVFQOVJWHM-UHFFFAOYSA-N 1 0 331.376 2.376 20 5 EEBDRO CN1CCC(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)([NH+](C)C)CC1 ZINC001164211042 1321318640 /nfs/dbraw/zinc/31/86/40/1321318640.db2.gz LCBFGYFVXLOOSC-UHFFFAOYSA-N 1 0 347.463 2.307 20 5 EEBDRO C[N@H+](C1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1)[C@@H]1CCOC1 ZINC001165204114 1321471616 /nfs/dbraw/zinc/47/16/16/1321471616.db2.gz UHFKIQLGWFCZFW-CQSZACIVSA-N 1 0 328.372 2.052 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165236149 1321480479 /nfs/dbraw/zinc/48/04/79/1321480479.db2.gz GNTABQHDFRTQRL-CYBMUJFWSA-N 1 0 343.840 2.340 20 5 EEBDRO CC(C)(C)N(c1cc(N)c([N+](=O)[O-])cn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671017 1321562289 /nfs/dbraw/zinc/56/22/89/1321562289.db2.gz WVZIOKPPNAXPFH-GFCCVEGCSA-N 1 0 349.435 2.088 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(CF)CCC1 ZINC001166975140 1321829124 /nfs/dbraw/zinc/82/91/24/1321829124.db2.gz WOYQGAMIZWJAPF-UHFFFAOYSA-N 1 0 329.397 2.392 20 5 EEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001322652635 1333301221 /nfs/dbraw/zinc/30/12/21/1333301221.db2.gz DFFWYWQVUZYKIJ-CMPLNLGQSA-N 1 0 326.324 2.174 20 5 EEBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001325129330 1333835191 /nfs/dbraw/zinc/83/51/91/1333835191.db2.gz ZHEVYOFIBVFSQX-IBGZPJMESA-N 1 0 337.379 2.368 20 5 EEBDRO Cc1ncc2n1C[C@H](C(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001327284208 1334259234 /nfs/dbraw/zinc/25/92/34/1334259234.db2.gz UIBMFJVPPXIRNX-CYBMUJFWSA-N 1 0 326.356 2.205 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccccc1C[NH3+] ZINC001328388334 1334453032 /nfs/dbraw/zinc/45/30/32/1334453032.db2.gz RTZODSRBZXMYTI-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC001329762592 1334709878 /nfs/dbraw/zinc/70/98/78/1334709878.db2.gz LGVRLLIOGCTTOH-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1=O ZINC001333630856 1336091664 /nfs/dbraw/zinc/09/16/64/1336091664.db2.gz XEFFXTOEDMHQPL-OLZOCXBDSA-N 1 0 342.399 2.485 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001335183773 1336345867 /nfs/dbraw/zinc/34/58/67/1336345867.db2.gz XKQBWPMOBUDOOE-UHFFFAOYSA-N 1 0 348.359 2.418 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOCC2CCOCC2)c1 ZINC001335397872 1336370706 /nfs/dbraw/zinc/37/07/06/1336370706.db2.gz JZPMFQYCKMEHDL-KRWDZBQOSA-N 1 0 338.404 2.051 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC001338903963 1336929533 /nfs/dbraw/zinc/92/95/33/1336929533.db2.gz ZLYVDHDHUDNTOG-UHFFFAOYSA-N 1 0 327.388 2.192 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CSCC[NH2+]2)c1 ZINC001341147507 1337284927 /nfs/dbraw/zinc/28/49/27/1337284927.db2.gz HEUZFGGAOANVNM-JTQLQIEISA-N 1 0 341.458 2.142 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001341765289 1337297919 /nfs/dbraw/zinc/29/79/19/1337297919.db2.gz ILDUJJPNDJFOAT-LZLYRXPVSA-N 1 0 329.400 2.300 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001345810894 1337468610 /nfs/dbraw/zinc/46/86/10/1337468610.db2.gz UUEJUMYOYBJIRH-QMMMGPOBSA-N 1 0 330.182 2.085 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCN(CC(F)F)CC2)c1 ZINC001346340177 1337482946 /nfs/dbraw/zinc/48/29/46/1337482946.db2.gz OYVIEWPMWANWRE-HNNXBMFYSA-N 1 0 343.374 2.195 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001353790606 1338344732 /nfs/dbraw/zinc/34/47/32/1338344732.db2.gz UTFWANGHYFEKEX-AWEZNQCLSA-N 1 0 333.388 2.206 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001575798314 1343887697 /nfs/dbraw/zinc/88/76/97/1343887697.db2.gz GKUSMEQRZICNGC-RRFJBIMHSA-N 1 0 347.415 2.500 20 5 EEBDRO Cc1c(C(=O)N2CC[NH2+]CCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001579522068 1344391492 /nfs/dbraw/zinc/39/14/92/1344391492.db2.gz JUORRXWYHMUNFU-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)C[NH2+]C1 ZINC001579607965 1344400097 /nfs/dbraw/zinc/40/00/97/1344400097.db2.gz KISMQEFJAZLMFR-UHFFFAOYSA-N 1 0 329.331 2.271 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579733949 1344410831 /nfs/dbraw/zinc/41/08/31/1344410831.db2.gz GKOWWMKOGSYUCM-JOCQHMNTSA-N 1 0 326.418 2.442 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCC[NH3+])CC(F)(F)F ZINC001579775659 1344414146 /nfs/dbraw/zinc/41/41/46/1344414146.db2.gz DSEMBVAKAVHPRQ-UHFFFAOYSA-N 1 0 348.325 2.055 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001580680464 1344550397 /nfs/dbraw/zinc/55/03/97/1344550397.db2.gz QNXKYACOTAJWIH-JTQLQIEISA-N 1 0 343.330 2.458 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001589714976 1349022924 /nfs/dbraw/zinc/02/29/24/1349022924.db2.gz OVLXQUYJGDCWFX-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590258861 1349232533 /nfs/dbraw/zinc/23/25/33/1349232533.db2.gz CXBJASLWGPTXKM-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001590273132 1349243843 /nfs/dbraw/zinc/24/38/43/1349243843.db2.gz VFUNGJJXELXRIR-SNVBAGLBSA-N 1 0 334.405 2.102 20 5 EEBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001603552318 1350719417 /nfs/dbraw/zinc/71/94/17/1350719417.db2.gz XGEVRLCYDDMLLU-LBPRGKRZSA-N 1 0 345.407 2.309 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603897183 1350797421 /nfs/dbraw/zinc/79/74/21/1350797421.db2.gz CXNYTTGRYYUUCF-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000852841251 1369307254 /nfs/dbraw/zinc/30/72/54/1369307254.db2.gz CKIPJBDCJWQFEV-UHFFFAOYSA-N 1 0 334.420 2.394 20 5 EEBDRO COC(C)(C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782511523 1371304885 /nfs/dbraw/zinc/30/48/85/1371304885.db2.gz XLHLBDNEFNMMDQ-UHFFFAOYSA-N 1 0 327.356 2.419 20 5 EEBDRO C[C@@H](C(=O)OC[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001123221552 1372109796 /nfs/dbraw/zinc/10/97/96/1372109796.db2.gz SDHOAULVBCRTRN-UONOGXRCSA-N 1 0 336.388 2.210 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC001356531545 1373201491 /nfs/dbraw/zinc/20/14/91/1373201491.db2.gz CYIHPESHVRKMQA-KRWDZBQOSA-N 1 0 333.363 2.339 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001356545281 1373201596 /nfs/dbraw/zinc/20/15/96/1373201596.db2.gz SFASIPPZHXZGLS-VIRABCJISA-N 1 0 332.404 2.486 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC001576086026 1403560172 /nfs/dbraw/zinc/56/01/72/1403560172.db2.gz ORDVYVQTTZUPRP-GOSISDBHSA-N 1 0 341.367 2.020 20 5 EEBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC001577643893 1403666463 /nfs/dbraw/zinc/66/64/63/1403666463.db2.gz SRVPNCKZRNOFOM-SNVBAGLBSA-N 1 0 329.303 2.020 20 5 EEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001580250452 1403854000 /nfs/dbraw/zinc/85/40/00/1403854000.db2.gz NDZBSRRGUDFCKA-DIFFPNOSSA-N 1 0 328.372 2.420 20 5 EEBDRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001755469561 1407504460 /nfs/dbraw/zinc/50/44/60/1407504460.db2.gz UUGCASDTILCXEJ-CTYIDZIISA-N 1 0 349.431 2.394 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000852923568 1410387001 /nfs/dbraw/zinc/38/70/01/1410387001.db2.gz RILIKTBCFBSLSS-VIFPVBQESA-N 1 0 325.674 2.210 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000179548705 774053273 /nfs/dbraw/zinc/05/32/73/774053273.db2.gz AHUFDRKDJKKOLG-INIZCTEOSA-N 1 0 332.360 2.095 20 5 EEBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091350202 790345036 /nfs/dbraw/zinc/34/50/36/790345036.db2.gz JHXLSNNOQFUDOI-OKILXGFUSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](CNC(=O)Cn3ccnc3)C2)ccc1[N+](=O)[O-] ZINC001091352068 790349750 /nfs/dbraw/zinc/34/97/50/790349750.db2.gz ISTDNGVCDYLGPO-OTVXOJSOSA-N 1 0 343.387 2.107 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127655020 777661813 /nfs/dbraw/zinc/66/18/13/777661813.db2.gz ZSVPWZYSHLMLSG-UHFFFAOYSA-N 1 0 346.431 2.188 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1F ZINC001135643777 784148592 /nfs/dbraw/zinc/14/85/92/784148592.db2.gz XEFFAPCJWPIYLB-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001035704172 784984984 /nfs/dbraw/zinc/98/49/84/784984984.db2.gz FRUMZJQALRKSAG-HZPDHXFCSA-N 1 0 333.432 2.076 20 5 EEBDRO C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000818008803 785162007 /nfs/dbraw/zinc/16/20/07/785162007.db2.gz JBYNZMLBTLLRRT-KOLCDFICSA-N 1 0 343.786 2.373 20 5 EEBDRO O=C1Nc2ccccc2[C@@H]1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818977937 785346692 /nfs/dbraw/zinc/34/66/92/785346692.db2.gz AAHBNXGGQNEOJK-DOTOQJQBSA-N 1 0 341.367 2.344 20 5 EEBDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819126290 785434589 /nfs/dbraw/zinc/43/45/89/785434589.db2.gz JXDGLAWDSWLLLU-FUHWJXTLSA-N 1 0 330.384 2.476 20 5 EEBDRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190876 785455887 /nfs/dbraw/zinc/45/58/87/785455887.db2.gz LMOLEUDGVGIDTB-ZWKOTPCHSA-N 1 0 327.384 2.405 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107391858 787106039 /nfs/dbraw/zinc/10/60/39/787106039.db2.gz OAAGSMXKXRSROH-VOTSOKGWSA-N 1 0 334.420 2.409 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823981341 788006792 /nfs/dbraw/zinc/00/67/92/788006792.db2.gz WSIJQCPYJHNUPF-UHFFFAOYSA-N 1 0 347.375 2.366 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847151 788336480 /nfs/dbraw/zinc/33/64/80/788336480.db2.gz WQTFYKHHTGISLI-GOEBONIOSA-N 1 0 335.360 2.390 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000825405920 788616932 /nfs/dbraw/zinc/61/69/32/788616932.db2.gz UYSZEKRNZFARJI-KRWDZBQOSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843840925 788704576 /nfs/dbraw/zinc/70/45/76/788704576.db2.gz HOFXAYNCTQLRNS-ZDUSSCGKSA-N 1 0 348.447 2.463 20 5 EEBDRO Cc1nn(CCC(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000845735130 789928924 /nfs/dbraw/zinc/92/89/24/789928924.db2.gz KXDOSYJOVIBADX-ZDUSSCGKSA-N 1 0 338.408 2.214 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000784221935 791218950 /nfs/dbraw/zinc/21/89/50/791218950.db2.gz ILVWDUUJRREPND-QWRGUYRKSA-N 1 0 334.294 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000172485105 791698531 /nfs/dbraw/zinc/69/85/31/791698531.db2.gz GIKHKMCMZXYSGL-MRXNPFEDSA-N 1 0 329.404 2.462 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172902804 791790698 /nfs/dbraw/zinc/79/06/98/791790698.db2.gz BYCVMWICBLBSHC-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1nn(C(C)C)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147583886 791876780 /nfs/dbraw/zinc/87/67/80/791876780.db2.gz KYMOPWGRYGUWGC-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001093166627 794798871 /nfs/dbraw/zinc/79/88/71/794798871.db2.gz PDGMXADBGBNGEA-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@H]3C[C@@H](CO)C[C@H]31)CC2 ZINC001172903916 797131168 /nfs/dbraw/zinc/13/11/68/797131168.db2.gz JPBWNKYBVUSKMW-UONJOCPKSA-N 1 0 346.427 2.314 20 5 EEBDRO [NH3+]Cc1cnn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001173011305 797195969 /nfs/dbraw/zinc/19/59/69/797195969.db2.gz ZENLDRXQXUUMSQ-UHFFFAOYSA-N 1 0 337.330 2.370 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCCN2C)c1F ZINC001173180874 797278803 /nfs/dbraw/zinc/27/88/03/797278803.db2.gz YQSOIDANSDAYIO-RYUDHWBXSA-N 1 0 325.384 2.357 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccn21 ZINC000917064443 798052995 /nfs/dbraw/zinc/05/29/95/798052995.db2.gz USBOJJYKBFJHCI-CQSZACIVSA-N 1 0 345.403 2.298 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001110191466 798281708 /nfs/dbraw/zinc/28/17/08/798281708.db2.gz UTPCMCHZADWCPE-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001002789602 798599013 /nfs/dbraw/zinc/59/90/13/798599013.db2.gz VCGOWHPNTQZXQE-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177313923 798854239 /nfs/dbraw/zinc/85/42/39/798854239.db2.gz WFEVHCPWOGDFKG-HUUCEWRRSA-N 1 0 329.416 2.010 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000828697375 800800522 /nfs/dbraw/zinc/80/05/22/800800522.db2.gz MXYQEHCYILCRLV-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO Cc1nc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001086348596 802798134 /nfs/dbraw/zinc/79/81/34/802798134.db2.gz MEXLQBFDBZQEJP-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO CN(C(=O)C(F)F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005011382 803455021 /nfs/dbraw/zinc/45/50/21/803455021.db2.gz FCSNDGJKVLZCMV-UHFFFAOYSA-N 1 0 327.331 2.283 20 5 EEBDRO CCCCCCOC(=O)CCC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983696 803547660 /nfs/dbraw/zinc/54/76/60/803547660.db2.gz KSCZETSYRBQVQJ-LSDHHAIUSA-N 1 0 342.436 2.494 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964635 803552050 /nfs/dbraw/zinc/55/20/50/803552050.db2.gz UTQNYFCUTFSYHH-BFHYXJOUSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)C1 ZINC001168998815 803563769 /nfs/dbraw/zinc/56/37/69/803563769.db2.gz QGYOMQHTCSYYKN-HIFRSBDPSA-N 1 0 337.395 2.304 20 5 EEBDRO CN(CC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169013407 803571067 /nfs/dbraw/zinc/57/10/67/803571067.db2.gz UWQYUJYZIDMFBD-JSGCOSHPSA-N 1 0 327.425 2.231 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169012492 803571450 /nfs/dbraw/zinc/57/14/50/803571450.db2.gz QOIZOCFUGXGGTE-LXTVHRRPSA-N 1 0 339.436 2.373 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991334 803574452 /nfs/dbraw/zinc/57/44/52/803574452.db2.gz GJAQLWUQMBTDBL-RCBQFDQVSA-N 1 0 335.379 2.075 20 5 EEBDRO CC(C)OCc1ncn2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169027408 803575140 /nfs/dbraw/zinc/57/51/40/803575140.db2.gz PIPJDLATMIMXTN-CABCVRRESA-N 1 0 336.436 2.459 20 5 EEBDRO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169034249 803578512 /nfs/dbraw/zinc/57/85/12/803578512.db2.gz GKCDDYUYRGLBAL-CRAIPNDOSA-N 1 0 331.416 2.457 20 5 EEBDRO CC(C)(C)OC(=O)NCCC1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033943 803578890 /nfs/dbraw/zinc/57/88/90/803578890.db2.gz DVJKRQVFCWMPKE-GXTWGEPZSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169025150 803590489 /nfs/dbraw/zinc/59/04/89/803590489.db2.gz SNIMZVFJFUTYAS-CVYDXHPNSA-N 1 0 347.415 2.139 20 5 EEBDRO COC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026438 803592387 /nfs/dbraw/zinc/59/23/87/803592387.db2.gz XCLGRYCBEPQFJR-BZUAXINKSA-N 1 0 326.437 2.197 20 5 EEBDRO COc1cc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169054222 803596409 /nfs/dbraw/zinc/59/64/09/803596409.db2.gz KWYGETSIWZELSE-ZIAGYGMSSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1ccc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc1 ZINC001169056355 803597799 /nfs/dbraw/zinc/59/77/99/803597799.db2.gz SJIPCVVSPULFPG-UKRRQHHQSA-N 1 0 334.420 2.094 20 5 EEBDRO O=C1Nc2ccccc2CN1C1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057865 803598388 /nfs/dbraw/zinc/59/83/88/803598388.db2.gz YJFLNIJBUKIHON-GXTWGEPZSA-N 1 0 330.388 2.164 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cnc([N+](=O)[O-])cn1 ZINC001169179633 803650806 /nfs/dbraw/zinc/65/08/06/803650806.db2.gz NXTYQCXRYQTDSP-UHFFFAOYSA-N 1 0 327.344 2.147 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NCc3ncn4c3C[NH2+]CCC4)ccc2c1 ZINC001169236826 803663872 /nfs/dbraw/zinc/66/38/72/803663872.db2.gz HQRUSDVWSMUNRR-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1c[nH]nc1C1CC1 ZINC001170001614 805469801 /nfs/dbraw/zinc/46/98/01/805469801.db2.gz UPPBVBMPUKEZQX-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000792551483 809795869 /nfs/dbraw/zinc/79/58/69/809795869.db2.gz NGGXTWVWCJDUPT-UHFFFAOYSA-N 1 0 327.296 2.478 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C(=O)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170317741 809887922 /nfs/dbraw/zinc/88/79/22/809887922.db2.gz KUSAEYWPUHWUSW-WFASDCNBSA-N 1 0 347.415 2.135 20 5 EEBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170327896 809892573 /nfs/dbraw/zinc/89/25/73/809892573.db2.gz SKJSFRLGSNKWAN-XBFCOCLRSA-N 1 0 336.388 2.466 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c([N+](=O)[O-])c1 ZINC001170308685 809901179 /nfs/dbraw/zinc/90/11/79/809901179.db2.gz NYFHTBZQHRYPCW-GFCCVEGCSA-N 1 0 331.372 2.023 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC001170340465 809914421 /nfs/dbraw/zinc/91/44/21/809914421.db2.gz LWNHHNVVQPFUMJ-SCLBCKFNSA-N 1 0 347.415 2.137 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3nn(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170344574 809916146 /nfs/dbraw/zinc/91/61/46/809916146.db2.gz CGTONONXIQBPNQ-LBPRGKRZSA-N 1 0 330.388 2.326 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170346322 809916465 /nfs/dbraw/zinc/91/64/65/809916465.db2.gz NGQSJCPLMRJLQZ-DOMZBBRYSA-N 1 0 335.404 2.135 20 5 EEBDRO COCc1ccccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130771146 812016273 /nfs/dbraw/zinc/01/62/73/812016273.db2.gz GTIKRPVCSUCLLX-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000808218924 812522556 /nfs/dbraw/zinc/52/25/56/812522556.db2.gz KTGKMSNPVMYLIK-AWEZNQCLSA-N 1 0 349.431 2.079 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC001131389225 812776232 /nfs/dbraw/zinc/77/62/32/812776232.db2.gz WGCUINKFDWEHJJ-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175077545 231380581 /nfs/dbraw/zinc/38/05/81/231380581.db2.gz WYQSKXMWVQWBDO-QWHCGFSZSA-N 1 0 341.433 2.054 20 5 EEBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193111302 535047962 /nfs/dbraw/zinc/04/79/62/535047962.db2.gz SOFMYVGLKMUDBU-GFCCVEGCSA-N 1 0 329.784 2.183 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349643462 283336076 /nfs/dbraw/zinc/33/60/76/283336076.db2.gz XRVUGCGEUAMNHR-MRXNPFEDSA-N 1 0 349.435 2.180 20 5 EEBDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188020499 236387808 /nfs/dbraw/zinc/38/78/08/236387808.db2.gz QFYWIDAQDKVTIT-NXOUGTEYSA-N 1 0 348.374 2.349 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+](C)Cc1ccccc1 ZINC000191532917 239170414 /nfs/dbraw/zinc/17/04/14/239170414.db2.gz HNMRKUGRTHJCET-ZDUSSCGKSA-N 1 0 342.399 2.427 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1[NH+](C)C ZINC000421790010 240025002 /nfs/dbraw/zinc/02/50/02/240025002.db2.gz CFQIPGJVJFMSFY-LSDHHAIUSA-N 1 0 337.445 2.329 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000421878882 240041479 /nfs/dbraw/zinc/04/14/79/240041479.db2.gz WDZJFUIYCPDZDD-CQSZACIVSA-N 1 0 349.431 2.129 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422769338 240219223 /nfs/dbraw/zinc/21/92/23/240219223.db2.gz ORGIWAKVULXOPO-SECBINFHSA-N 1 0 329.809 2.148 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000422778969 240221144 /nfs/dbraw/zinc/22/11/44/240221144.db2.gz BHZNSAYVFGXYEF-NSHDSACASA-N 1 0 328.372 2.342 20 5 EEBDRO [NH3+]CC1(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000423819452 240643974 /nfs/dbraw/zinc/64/39/74/240643974.db2.gz AADWOAVLSGXYFC-UHFFFAOYSA-N 1 0 332.404 2.174 20 5 EEBDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438827025 242051418 /nfs/dbraw/zinc/05/14/18/242051418.db2.gz AQIHCTBFTQBAFM-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000451102898 243000316 /nfs/dbraw/zinc/00/03/16/243000316.db2.gz FTQYLUHGDSQNQE-RRQGHBQHSA-N 1 0 347.415 2.415 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000451552670 243157218 /nfs/dbraw/zinc/15/72/18/243157218.db2.gz WZUVQKVDOUDLRG-UKRRQHHQSA-N 1 0 338.429 2.209 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451598224 243171277 /nfs/dbraw/zinc/17/12/77/243171277.db2.gz DVDCMADOJSBSFA-QAPCUYQASA-N 1 0 347.415 2.228 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740663 245233349 /nfs/dbraw/zinc/23/33/49/245233349.db2.gz BMBGORQRGGLULP-CABCVRRESA-N 1 0 333.388 2.389 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000079227242 217202094 /nfs/dbraw/zinc/20/20/94/217202094.db2.gz RZJXTXRWOQFMCE-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000081364340 217388877 /nfs/dbraw/zinc/38/88/77/217388877.db2.gz GKPWYTHUQXOZAA-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCCC1 ZINC000263987448 245945624 /nfs/dbraw/zinc/94/56/24/245945624.db2.gz FAMCIJBKWRSEFU-UHFFFAOYSA-N 1 0 338.383 2.310 20 5 EEBDRO Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000264206691 246183057 /nfs/dbraw/zinc/18/30/57/246183057.db2.gz FHPWQSDCBMVNGM-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000494671210 247001178 /nfs/dbraw/zinc/00/11/78/247001178.db2.gz CAVXIZQLJMRYEP-LBPRGKRZSA-N 1 0 345.403 2.243 20 5 EEBDRO CCC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268818077 252268324 /nfs/dbraw/zinc/26/83/24/252268324.db2.gz NARGDLISYXZACO-SFHVURJKSA-N 1 0 348.447 2.190 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000114416090 220680488 /nfs/dbraw/zinc/68/04/88/220680488.db2.gz RAXJHPDGAHEWAQ-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO O=C(C[NH2+]C1(CO)CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179059450 255922137 /nfs/dbraw/zinc/92/21/37/255922137.db2.gz MEQMBBQMTKCSON-UHFFFAOYSA-N 1 0 327.768 2.081 20 5 EEBDRO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117299919 221049820 /nfs/dbraw/zinc/04/98/20/221049820.db2.gz ZHKDYWVISQYTHI-ROJDOSBLSA-N 1 0 347.415 2.177 20 5 EEBDRO Cc1nc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000270514723 256143277 /nfs/dbraw/zinc/14/32/77/256143277.db2.gz YAWAAPIKMVPFPC-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000271008127 256197703 /nfs/dbraw/zinc/19/77/03/256197703.db2.gz HJYURTREYBUWON-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000273161025 256271743 /nfs/dbraw/zinc/27/17/43/256271743.db2.gz ZFLHYSCAHGLTOO-VIFPVBQESA-N 1 0 331.825 2.407 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273483862 256300434 /nfs/dbraw/zinc/30/04/34/256300434.db2.gz JJSDGLYYQIHTJO-GJZGRUSLSA-N 1 0 335.429 2.247 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000090882361 292220367 /nfs/dbraw/zinc/22/03/67/292220367.db2.gz NBZCHTJIZSZINZ-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261692074 160408926 /nfs/dbraw/zinc/40/89/26/160408926.db2.gz RWENXNISLBUOSB-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000262321072 160450430 /nfs/dbraw/zinc/45/04/30/160450430.db2.gz QZPLZCVUJFCEOX-LBPRGKRZSA-N 1 0 349.840 2.208 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000069129098 159025459 /nfs/dbraw/zinc/02/54/59/159025459.db2.gz ILROVNXCYNNNPL-VIFPVBQESA-N 1 0 347.824 2.009 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000078597197 159120191 /nfs/dbraw/zinc/12/01/91/159120191.db2.gz ADDNOYGROLMADO-CQSZACIVSA-N 1 0 349.412 2.454 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664077 159238341 /nfs/dbraw/zinc/23/83/41/159238341.db2.gz GHOZQYHWDLAGPK-LLCTXKFZSA-N 1 0 331.416 2.262 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000119981767 159384598 /nfs/dbraw/zinc/38/45/98/159384598.db2.gz DJORWKOXYOYAGA-KGLIPLIRSA-N 1 0 348.403 2.196 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000189790358 160149577 /nfs/dbraw/zinc/14/95/77/160149577.db2.gz ATTIZGYHFRIZMM-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000193896265 160188446 /nfs/dbraw/zinc/18/84/46/160188446.db2.gz NPRPLOXXDPNPHM-USOFRPGISA-N 1 0 348.447 2.347 20 5 EEBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193969854 160189488 /nfs/dbraw/zinc/18/94/88/160189488.db2.gz RMOFJOFBADTOLT-INIZCTEOSA-N 1 0 333.388 2.107 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000245543955 160240703 /nfs/dbraw/zinc/24/07/03/160240703.db2.gz KYPHBBLWOPAELW-XJKSGUPXSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000341776519 161012539 /nfs/dbraw/zinc/01/25/39/161012539.db2.gz UVIILVHSUKFDDZ-CYBMUJFWSA-N 1 0 330.388 2.102 20 5 EEBDRO COC[C@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342739024 161087165 /nfs/dbraw/zinc/08/71/65/161087165.db2.gz OENOKCSIDSUZNT-HOCLYGCPSA-N 1 0 338.404 2.083 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000343571025 161147602 /nfs/dbraw/zinc/14/76/02/161147602.db2.gz NCVQPDCZXWFELF-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345746334 161328201 /nfs/dbraw/zinc/32/82/01/161328201.db2.gz ASHPGRVHDIKWSS-ZIAGYGMSSA-N 1 0 334.420 2.261 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352561389 162189014 /nfs/dbraw/zinc/18/90/14/162189014.db2.gz WPQRVIUPPMASRS-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352817112 162298184 /nfs/dbraw/zinc/29/81/84/162298184.db2.gz PQYSKNRFDXCYBT-LSDHHAIUSA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000355000209 163046435 /nfs/dbraw/zinc/04/64/35/163046435.db2.gz MZQWYTYASMEZJT-XHDPSFHLSA-N 1 0 331.376 2.048 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000355343632 163154179 /nfs/dbraw/zinc/15/41/79/163154179.db2.gz ZOIDLXPLHXNUAM-UHFFFAOYSA-N 1 0 328.372 2.458 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364237727 165064563 /nfs/dbraw/zinc/06/45/63/165064563.db2.gz CFDRJPWVDIPTGD-UHFFFAOYSA-N 1 0 336.388 2.245 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000347226063 287119647 /nfs/dbraw/zinc/11/96/47/287119647.db2.gz DGNKPQWQHRCAKK-GHMZBOCLSA-N 1 0 341.795 2.083 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000369390899 166251494 /nfs/dbraw/zinc/25/14/94/166251494.db2.gz GHSSFLPAGLZMIZ-MLGOLLRUSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158745305 225077085 /nfs/dbraw/zinc/07/70/85/225077085.db2.gz QPZGLYWHLSIRQY-LRDDRELGSA-N 1 0 335.429 2.287 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122279469 222052279 /nfs/dbraw/zinc/05/22/79/222052279.db2.gz FWVYAYHMZCEIDI-GXTWGEPZSA-N 1 0 332.404 2.062 20 5 EEBDRO COC[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274797971 269054217 /nfs/dbraw/zinc/05/42/17/269054217.db2.gz DQTZOGGRXXXCDO-GFCCVEGCSA-N 1 0 333.392 2.018 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277669812 269169676 /nfs/dbraw/zinc/16/96/76/269169676.db2.gz OVHVHXQPLVSAHT-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277932161 269198724 /nfs/dbraw/zinc/19/87/24/269198724.db2.gz NVGMSXOCLBEBLV-AWEZNQCLSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278249441 269219195 /nfs/dbraw/zinc/21/91/95/269219195.db2.gz MLVMJFJHTPMLNN-WCBMZHEXSA-N 1 0 342.193 2.228 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000278483157 269232643 /nfs/dbraw/zinc/23/26/43/269232643.db2.gz SFTTWFUHIRMSFZ-CYBMUJFWSA-N 1 0 335.429 2.106 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280131565 269330832 /nfs/dbraw/zinc/33/08/32/269330832.db2.gz CKTUTQDJYPJTLM-CXAGYDPISA-N 1 0 336.388 2.373 20 5 EEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000274447630 274197442 /nfs/dbraw/zinc/19/74/42/274197442.db2.gz HWNTZQYNXJEKRT-NSHDSACASA-N 1 0 328.363 2.311 20 5 EEBDRO O=C1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CCC2)N1 ZINC000285174303 274689232 /nfs/dbraw/zinc/68/92/32/274689232.db2.gz CTMRRPZCNKXUMK-ZDUSSCGKSA-N 1 0 325.315 2.164 20 5 EEBDRO Cc1ccnc([C@H](C)[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000286091187 274835754 /nfs/dbraw/zinc/83/57/54/274835754.db2.gz MSOXETONTPOGQE-JCURWCKSSA-N 1 0 331.372 2.043 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367420838 275035878 /nfs/dbraw/zinc/03/58/78/275035878.db2.gz VQMRKVZAYFIBJZ-UKRRQHHQSA-N 1 0 325.796 2.284 20 5 EEBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000288371647 275051491 /nfs/dbraw/zinc/05/14/91/275051491.db2.gz JVJFAPBYINBCDI-JTQLQIEISA-N 1 0 343.330 2.362 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)C1CCCC1 ZINC000290201739 275188877 /nfs/dbraw/zinc/18/88/77/275188877.db2.gz PEDCXWCHKRWIMP-LRDDRELGSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)C[NH2+]1 ZINC000237561136 287873543 /nfs/dbraw/zinc/87/35/43/287873543.db2.gz AAUWKXPFBLJTDW-ZIAGYGMSSA-N 1 0 346.431 2.020 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000110651334 278305100 /nfs/dbraw/zinc/30/51/00/278305100.db2.gz XHEARBIPUCSXSE-MRVPVSSYSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000429246442 288033644 /nfs/dbraw/zinc/03/36/44/288033644.db2.gz RLANLSNNSDLULK-UONOGXRCSA-N 1 0 346.431 2.265 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000341693669 279119293 /nfs/dbraw/zinc/11/92/93/279119293.db2.gz GLXIHQOMQVSOBY-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CC[C@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090564451 288101534 /nfs/dbraw/zinc/10/15/34/288101534.db2.gz AOIQXGWNUFZDCN-KRWDZBQOSA-N 1 0 345.399 2.030 20 5 EEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469009 279348999 /nfs/dbraw/zinc/34/89/99/279348999.db2.gz CLHBQNGLCBVCMW-NVXWUHKLSA-N 1 0 330.388 2.416 20 5 EEBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]2CCCCN12 ZINC000338032953 280272161 /nfs/dbraw/zinc/27/21/61/280272161.db2.gz XHUGUYUGKZJNLU-CBBWQLFWSA-N 1 0 347.419 2.018 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000282711861 292857039 /nfs/dbraw/zinc/85/70/39/292857039.db2.gz ASJHUGYTCUUWAM-UHFFFAOYSA-N 1 0 338.364 2.225 20 5 EEBDRO O=c1[nH]c(N2CC[C@@H](C[NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000293181006 293144903 /nfs/dbraw/zinc/14/49/03/293144903.db2.gz VUCXRYLKBZATLZ-LBPRGKRZSA-N 1 0 343.387 2.166 20 5 EEBDRO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943234 293333113 /nfs/dbraw/zinc/33/31/13/293333113.db2.gz YSZJYQYBCSDHEI-UONOGXRCSA-N 1 0 348.447 2.329 20 5 EEBDRO C[NH+](C)CCOc1cc(-c2noc(CCC(C)(C)[N+](=O)[O-])n2)ccn1 ZINC000296982987 294119877 /nfs/dbraw/zinc/11/98/77/294119877.db2.gz RZZUXYQAVNXERB-UHFFFAOYSA-N 1 0 349.391 2.060 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000297048857 294138105 /nfs/dbraw/zinc/13/81/05/294138105.db2.gz IHPANYBTFQCHDZ-HNNXBMFYSA-N 1 0 347.415 2.232 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297084252 294147294 /nfs/dbraw/zinc/14/72/94/294147294.db2.gz ZTAJXLJBOPQYBG-YOGCLGLASA-N 1 0 334.376 2.350 20 5 EEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261852014 294423168 /nfs/dbraw/zinc/42/31/68/294423168.db2.gz YDFZOTIXKZPBHP-AWEZNQCLSA-N 1 0 335.795 2.128 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000349953518 298426588 /nfs/dbraw/zinc/42/65/88/298426588.db2.gz UZRDMUZSYNKULP-CYBMUJFWSA-N 1 0 334.420 2.298 20 5 EEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000194774323 303393572 /nfs/dbraw/zinc/39/35/72/303393572.db2.gz SQKOKIITAQCQDF-LLVKDONJSA-N 1 0 347.824 2.044 20 5 EEBDRO O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000324794761 311601634 /nfs/dbraw/zinc/60/16/34/311601634.db2.gz MZZONLXTAJGJSM-HIFRSBDPSA-N 1 0 332.404 2.140 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330661044 311775089 /nfs/dbraw/zinc/77/50/89/311775089.db2.gz ZCQNGAKMOWIDSI-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000331118647 311818469 /nfs/dbraw/zinc/81/84/69/311818469.db2.gz WNBBUCBISPKQSO-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332399481 312001474 /nfs/dbraw/zinc/00/14/74/312001474.db2.gz RRHOZWVXNXOSIL-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000332426263 312006026 /nfs/dbraw/zinc/00/60/26/312006026.db2.gz CBFHKWOSPRJKEJ-UHFFFAOYSA-N 1 0 349.435 2.075 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332511029 312017631 /nfs/dbraw/zinc/01/76/31/312017631.db2.gz UWBOGXDQGVIJTL-CABCVRRESA-N 1 0 346.431 2.400 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000332558603 312025341 /nfs/dbraw/zinc/02/53/41/312025341.db2.gz OXJRQCBGTMGGRI-GJZGRUSLSA-N 1 0 347.415 2.367 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412017587 312598825 /nfs/dbraw/zinc/59/88/25/312598825.db2.gz ADUNOOFDKDNEOX-LLVKDONJSA-N 1 0 337.376 2.089 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)s2)cc1 ZINC000414551163 313039149 /nfs/dbraw/zinc/03/91/49/313039149.db2.gz BDAJAAMZVUNXOI-CJNGLKHVSA-N 1 0 348.424 2.498 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414949901 313113893 /nfs/dbraw/zinc/11/38/93/313113893.db2.gz NYXQNERUUCCBLA-KCJUWKMLSA-N 1 0 342.302 2.022 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414959859 313116186 /nfs/dbraw/zinc/11/61/86/313116186.db2.gz XRQKYAUFSDCABN-SECBINFHSA-N 1 0 344.318 2.412 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417728795 313577882 /nfs/dbraw/zinc/57/78/82/313577882.db2.gz PJBDCSJWYJUVDC-HOTGVXAUSA-N 1 0 346.431 2.168 20 5 EEBDRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418118220 313718081 /nfs/dbraw/zinc/71/80/81/313718081.db2.gz VTDMKKXUDATEAV-UHFFFAOYSA-N 1 0 329.404 2.179 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418308807 313779603 /nfs/dbraw/zinc/77/96/03/313779603.db2.gz NDLNNARFDVZLLL-CQSZACIVSA-N 1 0 332.404 2.236 20 5 EEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420947138 314007021 /nfs/dbraw/zinc/00/70/21/314007021.db2.gz SXFBUUIAGWMLMX-RYUDHWBXSA-N 1 0 332.360 2.095 20 5 EEBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425425484 314391703 /nfs/dbraw/zinc/39/17/03/314391703.db2.gz UODQXWYXVXLMPF-UHFFFAOYSA-N 1 0 344.209 2.315 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000430216498 314505615 /nfs/dbraw/zinc/50/56/15/314505615.db2.gz FFTBFNKLNRQMCI-UKRRQHHQSA-N 1 0 325.434 2.081 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435368633 314896888 /nfs/dbraw/zinc/89/68/88/314896888.db2.gz BXCKHXVWQPSBJD-MRXNPFEDSA-N 1 0 329.404 2.179 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000444170747 315278487 /nfs/dbraw/zinc/27/84/87/315278487.db2.gz UQTPDYYLIGWHGC-UHFFFAOYSA-N 1 0 349.840 2.257 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000451847150 315455924 /nfs/dbraw/zinc/45/59/24/315455924.db2.gz SHZRHPMOTZLQLK-RHSMWYFYSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503521675 316353433 /nfs/dbraw/zinc/35/34/33/316353433.db2.gz FTRXESYJJLTTFE-DMDPSCGWSA-N 1 0 346.330 2.084 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000505321603 316358383 /nfs/dbraw/zinc/35/83/83/316358383.db2.gz WKWWKEVJTZJHGV-AWEZNQCLSA-N 1 0 345.403 2.001 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000541982690 318119768 /nfs/dbraw/zinc/11/97/68/318119768.db2.gz HFKXOOBAYPCZLE-MRXNPFEDSA-N 1 0 335.404 2.373 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000550086045 318445729 /nfs/dbraw/zinc/44/57/29/318445729.db2.gz QZWHLZNWTXEVFH-INIZCTEOSA-N 1 0 346.383 2.175 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000562999728 318955983 /nfs/dbraw/zinc/95/59/83/318955983.db2.gz DLMRZAUJTFSREI-NVXWUHKLSA-N 1 0 330.388 2.128 20 5 EEBDRO Cc1nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)sc1C ZINC000566111031 319245932 /nfs/dbraw/zinc/24/59/32/319245932.db2.gz WNHQXVSSWHWBFL-CYBMUJFWSA-N 1 0 337.401 2.198 20 5 EEBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000566673253 319310561 /nfs/dbraw/zinc/31/05/61/319310561.db2.gz GDACHOVNDKTBFJ-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO COc1ccc(-c2ccc(C[N@H+](C)CCNC(C)=O)o2)c([N+](=O)[O-])c1 ZINC000576989177 320222364 /nfs/dbraw/zinc/22/23/64/320222364.db2.gz KBKJEHYEQFOPOP-UHFFFAOYSA-N 1 0 347.371 2.431 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000580562420 324088745 /nfs/dbraw/zinc/08/87/45/324088745.db2.gz CCCXBHCCWMYVQU-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO C[NH+](C)CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000581019380 324170978 /nfs/dbraw/zinc/17/09/78/324170978.db2.gz DHVABTDZKPSASO-UHFFFAOYSA-N 1 0 344.415 2.432 20 5 EEBDRO CC(C)Oc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000581296989 324223393 /nfs/dbraw/zinc/22/33/93/324223393.db2.gz KRTWPZXRPRINPV-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581885996 324335670 /nfs/dbraw/zinc/33/56/70/324335670.db2.gz QEOHEBDTGGVWGU-UHFFFAOYSA-N 1 0 334.420 2.055 20 5 EEBDRO Cc1cccc(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000581939722 324346221 /nfs/dbraw/zinc/34/62/21/324346221.db2.gz YLXGLDLRMVQTAY-MRXNPFEDSA-N 1 0 345.399 2.260 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583605328 324695351 /nfs/dbraw/zinc/69/53/51/324695351.db2.gz ATKNDFFNJRWAEU-NSHDSACASA-N 1 0 331.294 2.484 20 5 EEBDRO CNc1nccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000515081226 448257551 /nfs/dbraw/zinc/25/75/51/448257551.db2.gz ZBRDAADAKZRTJG-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000354735634 465122269 /nfs/dbraw/zinc/12/22/69/465122269.db2.gz SFGFQHNSVQNSKF-TZMCWYRMSA-N 1 0 343.387 2.192 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358704541 465274329 /nfs/dbraw/zinc/27/43/29/465274329.db2.gz PRGPLHZYAPMFNL-FRRDWIJNSA-N 1 0 348.403 2.173 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000337434355 465367437 /nfs/dbraw/zinc/36/74/37/465367437.db2.gz WLVFHYXUADIEQT-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000590671018 468300545 /nfs/dbraw/zinc/30/05/45/468300545.db2.gz RFQUFWCTMKZCGY-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO Cc1c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000046047917 462641838 /nfs/dbraw/zinc/64/18/38/462641838.db2.gz DKMGUORRSSTYFW-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000089620220 462698371 /nfs/dbraw/zinc/69/83/71/462698371.db2.gz QCYUUSZZCUYJHW-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130378950 462753248 /nfs/dbraw/zinc/75/32/48/462753248.db2.gz DGNBELNPCIDTCS-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075745811 462756542 /nfs/dbraw/zinc/75/65/42/462756542.db2.gz BAPHQTBYPSUEKM-KMFMINBZSA-N 1 0 330.388 2.030 20 5 EEBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075843358 462764324 /nfs/dbraw/zinc/76/43/24/462764324.db2.gz KWXIJOVVCKPDSZ-OAUYIBNBSA-N 1 0 348.378 2.374 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000131183012 462797429 /nfs/dbraw/zinc/79/74/29/462797429.db2.gz NARPRXVZFMWIBN-CYBMUJFWSA-N 1 0 349.435 2.361 20 5 EEBDRO C[C@H]1CC[N@H+](CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248828 468320716 /nfs/dbraw/zinc/32/07/16/468320716.db2.gz UYUAUUPNMRIALC-WMLDXEAASA-N 1 0 343.431 2.349 20 5 EEBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000047978865 462843458 /nfs/dbraw/zinc/84/34/58/462843458.db2.gz GBPUTGBMOXFMBW-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171315 462943721 /nfs/dbraw/zinc/94/37/21/462943721.db2.gz OZNBKBSMOWURLF-CYBMUJFWSA-N 1 0 334.401 2.470 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000156701696 463058813 /nfs/dbraw/zinc/05/88/13/463058813.db2.gz SJOANZPQYYHTCV-BZNIZROVSA-N 1 0 332.404 2.369 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H](CC)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000077928345 463072201 /nfs/dbraw/zinc/07/22/01/463072201.db2.gz URSAYTJVKMEKFK-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO NC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000157295420 463117084 /nfs/dbraw/zinc/11/70/84/463117084.db2.gz FKWRFHZNCKXBDZ-MRXNPFEDSA-N 1 0 346.431 2.144 20 5 EEBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000068467883 463140198 /nfs/dbraw/zinc/14/01/98/463140198.db2.gz BFFAAAULBYYJQH-UHFFFAOYSA-N 1 0 330.388 2.102 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000143520184 463369687 /nfs/dbraw/zinc/36/96/87/463369687.db2.gz KZXOPQFHBZUVKS-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150840528 463438170 /nfs/dbraw/zinc/43/81/70/463438170.db2.gz IKZVBIYGWZJCDW-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO CC(C)[C@@H]1CN(C)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000151266903 463503025 /nfs/dbraw/zinc/50/30/25/463503025.db2.gz DBNLCOQUZOZKNQ-AWEZNQCLSA-N 1 0 337.445 2.486 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351902652 465430548 /nfs/dbraw/zinc/43/05/48/465430548.db2.gz VGYPAPBLJXLCGB-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000073131890 463587748 /nfs/dbraw/zinc/58/77/48/463587748.db2.gz GRNLDVHOFXYSMG-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO Cc1c(Br)c(NC[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165813253 463648237 /nfs/dbraw/zinc/64/82/37/463648237.db2.gz QKPIBNYUHDUYEG-VIFPVBQESA-N 1 0 329.198 2.472 20 5 EEBDRO CC(C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185163840 463767306 /nfs/dbraw/zinc/76/73/06/463767306.db2.gz LWGKCZICRPGGGT-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO CCOc1cc(C[N@H+](C)CCOCCCOC)ccc1[N+](=O)[O-] ZINC000276870540 463788786 /nfs/dbraw/zinc/78/87/86/463788786.db2.gz HOBCVLQXICPECC-UHFFFAOYSA-N 1 0 326.393 2.478 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261621692 463804350 /nfs/dbraw/zinc/80/43/50/463804350.db2.gz DAEWIFIAZWQOOF-DLBZAZTESA-N 1 0 325.368 2.470 20 5 EEBDRO CC1(C)CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006871 463828700 /nfs/dbraw/zinc/82/87/00/463828700.db2.gz XRTXIXUTRZNSSG-CQSZACIVSA-N 1 0 341.433 2.041 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000283299898 463837758 /nfs/dbraw/zinc/83/77/58/463837758.db2.gz XIHNIVVWWYLDRT-GFCCVEGCSA-N 1 0 333.388 2.374 20 5 EEBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000178177195 463856770 /nfs/dbraw/zinc/85/67/70/463856770.db2.gz VDMJJTKLWVUZBZ-UHFFFAOYSA-N 1 0 328.372 2.039 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000287297095 463862270 /nfs/dbraw/zinc/86/22/70/463862270.db2.gz MNJWSQUTFJDIPI-CYBMUJFWSA-N 1 0 331.372 2.140 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171665600 463902241 /nfs/dbraw/zinc/90/22/41/463902241.db2.gz PRGMDIIHDCAUSR-INIZCTEOSA-N 1 0 332.404 2.365 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178504189 463912286 /nfs/dbraw/zinc/91/22/86/463912286.db2.gz GQZCRIUSPJCOPZ-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCC(C)CC1 ZINC000283565758 463927303 /nfs/dbraw/zinc/92/73/03/463927303.db2.gz VGUVXPBMNPONEO-LLVKDONJSA-N 1 0 338.383 2.166 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269329110 463954476 /nfs/dbraw/zinc/95/44/76/463954476.db2.gz DTLAYEQGTULITQ-UHFFFAOYSA-N 1 0 337.424 2.388 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000262283588 463991131 /nfs/dbraw/zinc/99/11/31/463991131.db2.gz UYTSBUDTBVPCSO-OAHLLOKOSA-N 1 0 335.795 2.091 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000262283587 463991610 /nfs/dbraw/zinc/99/16/10/463991610.db2.gz UYTSBUDTBVPCSO-HNNXBMFYSA-N 1 0 335.795 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CC2CCCCC2)cc1 ZINC000178894506 464005778 /nfs/dbraw/zinc/00/57/78/464005778.db2.gz JHOOWRIWLIQCOG-UHFFFAOYSA-N 1 0 341.433 2.043 20 5 EEBDRO C[C@H]1C[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]1 ZINC000262388350 464016437 /nfs/dbraw/zinc/01/64/37/464016437.db2.gz MMHNARKUWUQYFV-JQWIXIFHSA-N 1 0 329.360 2.312 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](OCCO)C1 ZINC000172291926 464039918 /nfs/dbraw/zinc/03/99/18/464039918.db2.gz ZYAYHAZHZIDNHD-INIZCTEOSA-N 1 0 338.404 2.355 20 5 EEBDRO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1CCn1cc([N+](=O)[O-])cn1 ZINC000279145423 464043353 /nfs/dbraw/zinc/04/33/53/464043353.db2.gz YBVOWSQSQJLCMG-HOTGVXAUSA-N 1 0 344.371 2.170 20 5 EEBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279741994 464140619 /nfs/dbraw/zinc/14/06/19/464140619.db2.gz KOQRIRZNHQXNRP-CQSZACIVSA-N 1 0 336.388 2.244 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179981630 464219039 /nfs/dbraw/zinc/21/90/39/464219039.db2.gz CBMPKRPKQVFGDN-LBPRGKRZSA-N 1 0 349.387 2.318 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236981794 464249001 /nfs/dbraw/zinc/24/90/01/464249001.db2.gz AUTKPVQRRQUJNM-AWEZNQCLSA-N 1 0 343.449 2.151 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)C1 ZINC000292507439 464255872 /nfs/dbraw/zinc/25/58/72/464255872.db2.gz HQLCKUNMHKJHTF-QGZVFWFLSA-N 1 0 328.372 2.244 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270495599 464257465 /nfs/dbraw/zinc/25/74/65/464257465.db2.gz OYHVGDGMSNXEAS-VMFRVMOISA-N 1 0 335.429 2.112 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264677889 464418720 /nfs/dbraw/zinc/41/87/20/464418720.db2.gz YPPVVSJVHXVCLV-CQSZACIVSA-N 1 0 346.431 2.387 20 5 EEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000174845171 464457170 /nfs/dbraw/zinc/45/71/70/464457170.db2.gz FPTSOBORMVJKON-UHFFFAOYSA-N 1 0 345.403 2.015 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000181309561 464470685 /nfs/dbraw/zinc/47/06/85/464470685.db2.gz QYCSUYMAJJZTQO-UHFFFAOYSA-N 1 0 343.330 2.268 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285170666 464475197 /nfs/dbraw/zinc/47/51/97/464475197.db2.gz QPHORUCTAFSQTA-LLVKDONJSA-N 1 0 337.376 2.101 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181464716 464494681 /nfs/dbraw/zinc/49/46/81/464494681.db2.gz KYPHBBLWOPAELW-BBRMVZONSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146943 464495816 /nfs/dbraw/zinc/49/58/16/464495816.db2.gz WLGGWWJQKUTWIQ-GUYCJALGSA-N 1 0 347.415 2.415 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000175161505 464497676 /nfs/dbraw/zinc/49/76/76/464497676.db2.gz HIUMXSNWNSJZFP-ZDUSSCGKSA-N 1 0 335.404 2.471 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000272246200 464533839 /nfs/dbraw/zinc/53/38/39/464533839.db2.gz LFRRKQWOCZUMSQ-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000272302401 464555558 /nfs/dbraw/zinc/55/55/58/464555558.db2.gz WYLHUMFOJBGQQE-OCCSQVGLSA-N 1 0 344.371 2.156 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281716868 464557955 /nfs/dbraw/zinc/55/79/55/464557955.db2.gz QKTPGGGUCJPJBD-DZGCQCFKSA-N 1 0 335.404 2.081 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265508208 464585046 /nfs/dbraw/zinc/58/50/46/464585046.db2.gz QRVLRGZHCTYDQA-ZIAGYGMSSA-N 1 0 334.420 2.195 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272387561 464589862 /nfs/dbraw/zinc/58/98/62/464589862.db2.gz TVUVQTJQYATMFL-LBPRGKRZSA-N 1 0 341.358 2.487 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294737185 464591021 /nfs/dbraw/zinc/59/10/21/464591021.db2.gz WFQCEXQQALRQGA-LLVKDONJSA-N 1 0 339.367 2.347 20 5 EEBDRO CC[N@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272434468 464606722 /nfs/dbraw/zinc/60/67/22/464606722.db2.gz JYGYWGHMJTZAQK-UHFFFAOYSA-N 1 0 328.800 2.042 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000272486451 464629463 /nfs/dbraw/zinc/62/94/63/464629463.db2.gz DAFZLCULRYJLSO-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000175848353 464641465 /nfs/dbraw/zinc/64/14/65/464641465.db2.gz WDDOIUKXBQBDIU-OLZOCXBDSA-N 1 0 336.417 2.441 20 5 EEBDRO Cc1cccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000176190428 464716456 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CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000338538854 466206176 /nfs/dbraw/zinc/20/61/76/466206176.db2.gz YWWYRDCVMHDIBK-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000555535847 468481817 /nfs/dbraw/zinc/48/18/17/468481817.db2.gz RRWJOLMTUJLRQM-UHFFFAOYSA-N 1 0 332.404 2.125 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN(CCC(F)(F)F)C[C@@H](O)CO ZINC000354010607 466324492 /nfs/dbraw/zinc/32/44/92/466324492.db2.gz OWYRBFLVGJAPOZ-HSBHDXMMSA-N 1 0 348.321 2.216 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332072180 466371876 /nfs/dbraw/zinc/37/18/76/466371876.db2.gz VFNVHOXIKJDFOH-NSHDSACASA-N 1 0 345.403 2.273 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000305455380 466409341 /nfs/dbraw/zinc/40/93/41/466409341.db2.gz SXCIBFHBAZTARX-CYBMUJFWSA-N 1 0 332.360 2.380 20 5 EEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000591684855 468501880 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CN(C(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000429311157 467323843 /nfs/dbraw/zinc/32/38/43/467323843.db2.gz BQCACXGXYDMOKG-CYBMUJFWSA-N 1 0 341.367 2.020 20 5 EEBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000420255303 467331057 /nfs/dbraw/zinc/33/10/57/467331057.db2.gz FQROUAVCOPZBOW-DZGCQCFKSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376284 467383923 /nfs/dbraw/zinc/38/39/23/467383923.db2.gz UXWUKNGVYVEQCK-HFBDOXOYSA-N 1 0 340.811 2.163 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000420401779 467395768 /nfs/dbraw/zinc/39/57/68/467395768.db2.gz JKZQBJCDVBOCAS-DGCLKSJQSA-N 1 0 331.376 2.062 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000420464674 467416058 /nfs/dbraw/zinc/41/60/58/467416058.db2.gz KJKUGZDYBVASET-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1c(NC(=O)CCN2CCCC[C@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000430630218 467453435 /nfs/dbraw/zinc/45/34/35/467453435.db2.gz XWQCLRCBVAVVFJ-CJNGLKHVSA-N 1 0 334.420 2.434 20 5 EEBDRO COc1ccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000415037748 467472752 /nfs/dbraw/zinc/47/27/52/467472752.db2.gz NDPQBPXNRQVRTH-HALDLXJZSA-N 1 0 329.356 2.171 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCCO3)o2)cc1 ZINC000415037877 467473603 /nfs/dbraw/zinc/47/36/03/467473603.db2.gz LLVZUNCLVTXPIZ-MRXNPFEDSA-N 1 0 331.372 2.323 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000415116130 467494108 /nfs/dbraw/zinc/49/41/08/467494108.db2.gz VSYJWJGFMKGKQF-MRXNPFEDSA-N 1 0 331.372 2.404 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000415120359 467495125 /nfs/dbraw/zinc/49/51/25/467495125.db2.gz GSHWHOPKPDFIOF-WMLDXEAASA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420924699 467515928 /nfs/dbraw/zinc/51/59/28/467515928.db2.gz KGVYXFVUOYOJDF-QWHCGFSZSA-N 1 0 338.408 2.234 20 5 EEBDRO CNc1nc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454753111 467613758 /nfs/dbraw/zinc/61/37/58/467613758.db2.gz FGASLUCHLNYZLA-BETUJISGSA-N 1 0 349.435 2.129 20 5 EEBDRO CSc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449715932 467697786 /nfs/dbraw/zinc/69/77/86/467697786.db2.gz FLWOTUUKVKXJII-SNVBAGLBSA-N 1 0 337.323 2.326 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457095192 467751381 /nfs/dbraw/zinc/75/13/81/467751381.db2.gz PWQXVGPPDOFVKI-CQSZACIVSA-N 1 0 335.404 2.223 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450253487 467810309 /nfs/dbraw/zinc/81/03/09/467810309.db2.gz OIWCMJXWAWVBCX-UONOGXRCSA-N 1 0 333.388 2.349 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493100793 467841103 /nfs/dbraw/zinc/84/11/03/467841103.db2.gz WPCYHGUALZUFFV-PPDNHJNESA-N 1 0 333.363 2.300 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000493446614 467912676 /nfs/dbraw/zinc/91/26/76/467912676.db2.gz CTTSLJXELZTYMZ-FWQWQBSGSA-N 1 0 335.791 2.424 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000493819400 467990435 /nfs/dbraw/zinc/99/04/35/467990435.db2.gz JRDJWYYWUMITGN-RCFWFJCLSA-N 1 0 333.363 2.349 20 5 EEBDRO CC(C)[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487080523 468021612 /nfs/dbraw/zinc/02/16/12/468021612.db2.gz SSWAIOSVUMZGQG-QGZVFWFLSA-N 1 0 346.431 2.263 20 5 EEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C[NH3+])C1CC1 ZINC000516570986 468035184 /nfs/dbraw/zinc/03/51/84/468035184.db2.gz JKQWANOSRDJPGJ-KRWDZBQOSA-N 1 0 346.431 2.007 20 5 EEBDRO Cc1cnccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516761360 468044820 /nfs/dbraw/zinc/04/48/20/468044820.db2.gz AIIOPIYKKCOTSM-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO Cc1c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)oc2ccc(F)cc12 ZINC000517069291 468069791 /nfs/dbraw/zinc/06/97/91/468069791.db2.gz SURXRLIECBUATR-ZDUSSCGKSA-N 1 0 348.334 2.136 20 5 EEBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488195741 468076757 /nfs/dbraw/zinc/07/67/57/468076757.db2.gz DKOLIWYLCSFFPW-CZUORRHYSA-N 1 0 334.420 2.194 20 5 EEBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488989920 468115141 /nfs/dbraw/zinc/11/51/41/468115141.db2.gz FQFFBQWHLPAZIG-LBPRGKRZSA-N 1 0 329.404 2.392 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000591749382 468514162 /nfs/dbraw/zinc/51/41/62/468514162.db2.gz OEXYECDPPCSLRY-BBRMVZONSA-N 1 0 331.372 2.123 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000597570780 468602956 /nfs/dbraw/zinc/60/29/56/468602956.db2.gz DETUYRXTCVDJCF-UHFFFAOYSA-N 1 0 335.379 2.176 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597572990 468603618 /nfs/dbraw/zinc/60/36/18/468603618.db2.gz VVBPKXRRPCBSLJ-OAHLLOKOSA-N 1 0 331.416 2.328 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594516460 468613377 /nfs/dbraw/zinc/61/33/77/468613377.db2.gz RRNCCLQSJNJWBJ-ZDUSSCGKSA-N 1 0 329.404 2.494 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522780 468614604 /nfs/dbraw/zinc/61/46/04/468614604.db2.gz SVTKNQWDQZBVBT-AAEUAGOBSA-N 1 0 345.403 2.330 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c2c(c1)COCO2 ZINC000570298472 468619779 /nfs/dbraw/zinc/61/97/79/468619779.db2.gz MYURDDYXNICBMG-MQIPJXDCSA-N 1 0 334.372 2.054 20 5 EEBDRO COc1cccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594629037 468640012 /nfs/dbraw/zinc/64/00/12/468640012.db2.gz XJJFQKCWMLGBPJ-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597709978 468646593 /nfs/dbraw/zinc/64/65/93/468646593.db2.gz FOJUZSXWDKFSCH-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597717058 468649041 /nfs/dbraw/zinc/64/90/41/468649041.db2.gz XPTRYYZZDCWLBV-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253703 468665167 /nfs/dbraw/zinc/66/51/67/468665167.db2.gz LMYNCNCOJCLOSD-HUUCEWRRSA-N 1 0 347.415 2.212 20 5 EEBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626258 468731515 /nfs/dbraw/zinc/73/15/15/468731515.db2.gz KGVJVZAPZFFDNY-SJLPKXTDSA-N 1 0 346.383 2.312 20 5 EEBDRO COCC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595010508 468742634 /nfs/dbraw/zinc/74/26/34/468742634.db2.gz XCUCENRWCDSEBC-CYBMUJFWSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000595009399 468742686 /nfs/dbraw/zinc/74/26/86/468742686.db2.gz RXQKKJLSTJHEKM-CYBMUJFWSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000595041999 468748202 /nfs/dbraw/zinc/74/82/02/468748202.db2.gz SAIWFVMYHOCZPR-PWSUYJOCSA-N 1 0 331.376 2.169 20 5 EEBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000601182750 468774547 /nfs/dbraw/zinc/77/45/47/468774547.db2.gz WEFSEZNJNOOFBN-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388287 468834953 /nfs/dbraw/zinc/83/49/53/468834953.db2.gz FSWWVAFQCGNIPM-BFYDXBDKSA-N 1 0 337.395 2.417 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595439443 468853679 /nfs/dbraw/zinc/85/36/79/468853679.db2.gz IAALPZHOKMJJRT-GXTWGEPZSA-N 1 0 340.424 2.118 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000601439943 468874649 /nfs/dbraw/zinc/87/46/49/468874649.db2.gz KMDCDNUQCMMOBY-GFCCVEGCSA-N 1 0 341.433 2.008 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679056 468951606 /nfs/dbraw/zinc/95/16/06/468951606.db2.gz UQZUIOUYHQJMBZ-HIFRSBDPSA-N 1 0 338.404 2.465 20 5 EEBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595698630 468959886 /nfs/dbraw/zinc/95/98/86/468959886.db2.gz NGVOXNIUTXOCMR-ZFWWWQNUSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000598716849 468972515 /nfs/dbraw/zinc/97/25/15/468972515.db2.gz TXWOUSTVHUSBCX-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCN1CCCOCC1 ZINC000602665129 468997238 /nfs/dbraw/zinc/99/72/38/468997238.db2.gz ZLRQOTHQNUSHMX-UHFFFAOYSA-N 1 0 347.337 2.426 20 5 EEBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000602674283 469002710 /nfs/dbraw/zinc/00/27/10/469002710.db2.gz OCELYHLNCVJDIT-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602678019 469005783 /nfs/dbraw/zinc/00/57/83/469005783.db2.gz ZRNSGQMIJRNOJG-SUMWQHHRSA-N 1 0 334.420 2.099 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000610576893 469008829 /nfs/dbraw/zinc/00/88/29/469008829.db2.gz CZLXXZGYICJLPW-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718721 469020111 /nfs/dbraw/zinc/02/01/11/469020111.db2.gz UZWKWMQGBPVINF-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO O=C1CCCC12CC[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595818613 469026676 /nfs/dbraw/zinc/02/66/76/469026676.db2.gz QUIPGQAILSZBRE-AWEZNQCLSA-N 1 0 348.399 2.170 20 5 EEBDRO COc1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595920323 469084594 /nfs/dbraw/zinc/08/45/94/469084594.db2.gz RHEMXMUTZXOVSW-UHFFFAOYSA-N 1 0 347.396 2.241 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)o2)cc1 ZINC000593679820 469092673 /nfs/dbraw/zinc/09/26/73/469092673.db2.gz LVOGNDHVDVIOAR-MRXNPFEDSA-N 1 0 343.383 2.106 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)o2)c1 ZINC000593680160 469093149 /nfs/dbraw/zinc/09/31/49/469093149.db2.gz SCGTVVIHLOCOTJ-MRXNPFEDSA-N 1 0 343.383 2.106 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595962370 469098303 /nfs/dbraw/zinc/09/83/03/469098303.db2.gz QGLHEFWOXVGWSJ-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO C[NH2+]C[C@@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595984610 469106688 /nfs/dbraw/zinc/10/66/88/469106688.db2.gz WWCYECBKOBQZHK-SECBINFHSA-N 1 0 348.325 2.140 20 5 EEBDRO CCN1C[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000593720250 469108895 /nfs/dbraw/zinc/10/88/95/469108895.db2.gz ADUSWEBZKUFYEN-CZUORRHYSA-N 1 0 331.416 2.374 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](O)C1 ZINC000599091525 469115962 /nfs/dbraw/zinc/11/59/62/469115962.db2.gz BKXFXFMLGXHZGI-KBPBESRZSA-N 1 0 339.461 2.122 20 5 EEBDRO O=c1[nH]ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000596187035 469191638 /nfs/dbraw/zinc/19/16/38/469191638.db2.gz ZEZYZSPAYMXKGJ-UHFFFAOYSA-N 1 0 329.360 2.419 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000611711353 469307578 /nfs/dbraw/zinc/30/75/78/469307578.db2.gz LATPJMCTXJBHDM-MLGOLLRUSA-N 1 0 327.388 2.459 20 5 EEBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602432957 469313715 /nfs/dbraw/zinc/31/37/15/469313715.db2.gz IVZBEAIYKJXBTD-PSASIEDQSA-N 1 0 342.193 2.167 20 5 EEBDRO COCC(=O)NC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836033 469323900 /nfs/dbraw/zinc/32/39/00/469323900.db2.gz IVESAURVEVAQAQ-UVTDQMKNSA-N 1 0 347.415 2.225 20 5 EEBDRO CCC(CC)[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551452 469358214 /nfs/dbraw/zinc/35/82/14/469358214.db2.gz DNKWRCGLMHMBCJ-MRXNPFEDSA-N 1 0 336.436 2.345 20 5 EEBDRO COCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602568787 469365843 /nfs/dbraw/zinc/36/58/43/469365843.db2.gz MNOFGIHYENUUHC-UHFFFAOYSA-N 1 0 334.420 2.365 20 5 EEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000603399440 469377869 /nfs/dbraw/zinc/37/78/69/469377869.db2.gz ASNUSBFYRFDSAE-LLVKDONJSA-N 1 0 340.811 2.333 20 5 EEBDRO CO[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602605892 469382273 /nfs/dbraw/zinc/38/22/73/469382273.db2.gz URSZJWOVVIONCJ-SWLSCSKDSA-N 1 0 328.796 2.432 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000618935273 469475883 /nfs/dbraw/zinc/47/58/83/469475883.db2.gz CMUDMSKZCDVEKJ-GXTWGEPZSA-N 1 0 343.387 2.101 20 5 EEBDRO CC(C)[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000619696763 469665674 /nfs/dbraw/zinc/66/56/74/469665674.db2.gz QUBPGXOBSCTMOX-UHFFFAOYSA-N 1 0 339.465 2.046 20 5 EEBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000619844922 469688976 /nfs/dbraw/zinc/68/89/76/469688976.db2.gz VGHHUWSIGXYXDS-LBPRGKRZSA-N 1 0 343.449 2.145 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000609045842 469889508 /nfs/dbraw/zinc/88/95/08/469889508.db2.gz RNCVPXNHCGNWHR-HNNXBMFYSA-N 1 0 347.415 2.233 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386498 469924223 /nfs/dbraw/zinc/92/42/23/469924223.db2.gz VJYCAXUJEKAIBB-CQSZACIVSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609385629 469924592 /nfs/dbraw/zinc/92/45/92/469924592.db2.gz CXAYFTIVDCCFKD-CQSZACIVSA-N 1 0 334.420 2.304 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609671950 469954095 /nfs/dbraw/zinc/95/40/95/469954095.db2.gz RNKYMEBRBBOPTR-AWEZNQCLSA-N 1 0 338.404 2.224 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609833873 469963982 /nfs/dbraw/zinc/96/39/82/469963982.db2.gz ZEYUYTJDZLCBDF-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610069404 469978084 /nfs/dbraw/zinc/97/80/84/469978084.db2.gz GQKSXFFHSOJUJR-OAHLLOKOSA-N 1 0 347.415 2.090 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638942441 470334497 /nfs/dbraw/zinc/33/44/97/470334497.db2.gz UVZZKPZCVVZBFH-KBPBESRZSA-N 1 0 335.407 2.103 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000178568133 533903662 /nfs/dbraw/zinc/90/36/62/533903662.db2.gz MJEYNNXYRQAYHZ-FZMZJTMJSA-N 1 0 327.344 2.022 20 5 EEBDRO CC(C)(C[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000151886303 527070318 /nfs/dbraw/zinc/07/03/18/527070318.db2.gz FFXYMIVLFWBWAF-UHFFFAOYSA-N 1 0 348.325 2.269 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000171692548 527734522 /nfs/dbraw/zinc/73/45/22/527734522.db2.gz LXJGUZFKRZNBGQ-ZDUSSCGKSA-N 1 0 334.420 2.384 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246891499 535519353 /nfs/dbraw/zinc/51/93/53/535519353.db2.gz UOKOTEMZLHGMBS-WMLDXEAASA-N 1 0 349.431 2.462 20 5 EEBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265282034 535997794 /nfs/dbraw/zinc/99/77/94/535997794.db2.gz ZLFUEVWPONMXFD-RDJZCZTQSA-N 1 0 347.415 2.109 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000727063667 576394716 /nfs/dbraw/zinc/39/47/16/576394716.db2.gz IVVVIBNHEPCLQC-UHFFFAOYSA-N 1 0 325.438 2.051 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000731678770 577115954 /nfs/dbraw/zinc/11/59/54/577115954.db2.gz PIFXRJCJUBPPEA-HNNXBMFYSA-N 1 0 330.340 2.189 20 5 EEBDRO CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000772576269 577283327 /nfs/dbraw/zinc/28/33/27/577283327.db2.gz DLCVPBQBWUPPGU-OLZOCXBDSA-N 1 0 347.444 2.259 20 5 EEBDRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588809 577463495 /nfs/dbraw/zinc/46/34/95/577463495.db2.gz BXKXWXWMFRUWIR-XDHUDOTRSA-N 1 0 348.424 2.498 20 5 EEBDRO COc1ccc([C@H](CCO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606366 577464175 /nfs/dbraw/zinc/46/41/75/577464175.db2.gz VTZGTVBUQCOKPD-ZWKOTPCHSA-N 1 0 346.383 2.350 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000765424138 577500793 /nfs/dbraw/zinc/50/07/93/577500793.db2.gz BSDKRQDNEUYHAN-QWHCGFSZSA-N 1 0 341.408 2.160 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000765444584 577501182 /nfs/dbraw/zinc/50/11/82/577501182.db2.gz YENFLYMVQOGRMG-STQMWFEESA-N 1 0 343.387 2.323 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000770685238 577601696 /nfs/dbraw/zinc/60/16/96/577601696.db2.gz NQNKZHNQXSIRCX-OAHLLOKOSA-N 1 0 338.429 2.226 20 5 EEBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000754383439 577805481 /nfs/dbraw/zinc/80/54/81/577805481.db2.gz KHQWXUUPIBWORE-GFCCVEGCSA-N 1 0 335.385 2.308 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074397 577986712 /nfs/dbraw/zinc/98/67/12/577986712.db2.gz YFTNBGPJXKHZFK-QAPCUYQASA-N 1 0 333.432 2.292 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020530335 675014225 /nfs/dbraw/zinc/01/42/25/675014225.db2.gz VUFAEUOARDGXPT-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO COCC1(CNc2cc(OC)c([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000261814839 676325607 /nfs/dbraw/zinc/32/56/07/676325607.db2.gz GTTNUJSJZQRQOK-UHFFFAOYSA-N 1 0 327.356 2.171 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064131 676629267 /nfs/dbraw/zinc/62/92/67/676629267.db2.gz XLCZSKXJXPOGPO-AYRXBEOTSA-N 1 0 345.424 2.303 20 5 EEBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000891750311 676815715 /nfs/dbraw/zinc/81/57/15/676815715.db2.gz IIJDJCVKKOXQRF-MNOVXSKESA-N 1 0 342.346 2.200 20 5 EEBDRO Cn1c2ccccc2c(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892285989 678588277 /nfs/dbraw/zinc/58/82/77/678588277.db2.gz CBKVUIMIYUTQTL-CYBMUJFWSA-N 1 0 342.399 2.121 20 5 EEBDRO CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001023092768 679122487 /nfs/dbraw/zinc/12/24/87/679122487.db2.gz FXJOBELAOSIZLB-GASCZTMLSA-N 1 0 342.399 2.467 20 5 EEBDRO CC(F)(F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000982988883 681617015 /nfs/dbraw/zinc/61/70/15/681617015.db2.gz VYGRBQOALJDILA-CZMCAQCFSA-N 1 0 333.360 2.296 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC000983154449 681912130 /nfs/dbraw/zinc/91/21/30/681912130.db2.gz XUTFOPGODLTDLH-UMSPYCQHSA-N 1 0 334.401 2.283 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@H](C)COCC(F)(F)F)c1[N+](=O)[O-] ZINC000892684501 682548939 /nfs/dbraw/zinc/54/89/39/682548939.db2.gz UAGNDWWPCLZVTK-MRVPVSSYSA-N 1 0 338.282 2.366 20 5 EEBDRO O=C(CC1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025718014 683246024 /nfs/dbraw/zinc/24/60/24/683246024.db2.gz LJVPBSXHFYYYBK-VQFNDLOPSA-N 1 0 329.400 2.331 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ccc1[N+](=O)[O-] ZINC001059265963 683801574 /nfs/dbraw/zinc/80/15/74/683801574.db2.gz MGTCHYCUXKGYIS-SHTZXODSSA-N 1 0 344.415 2.058 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H](C)[NH2+]1 ZINC000153463258 684046270 /nfs/dbraw/zinc/04/62/70/684046270.db2.gz OEZJZHKLBNJKET-BETUJISGSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246666 684382276 /nfs/dbraw/zinc/38/22/76/684382276.db2.gz OZAGNFKMUOEBIL-WBMJQRKESA-N 1 0 329.404 2.189 20 5 EEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264528 684386225 /nfs/dbraw/zinc/38/62/25/684386225.db2.gz FUFKGLBZGZQHDA-CVEARBPZSA-N 1 0 332.404 2.015 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000109807432 690058851 /nfs/dbraw/zinc/05/88/51/690058851.db2.gz MUSUYDVSTBEHKK-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO Cn1c2ccccc2c(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1=O ZINC000893492636 692382160 /nfs/dbraw/zinc/38/21/60/692382160.db2.gz RMIKTTLEKSQSOI-ZDUSSCGKSA-N 1 0 344.415 2.367 20 5 EEBDRO O=C(c1ccccn1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989852726 692388504 /nfs/dbraw/zinc/38/85/04/692388504.db2.gz MDRSXNBVRYRXOP-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000905068282 694526246 /nfs/dbraw/zinc/52/62/46/694526246.db2.gz MPHDGMBUWMDRHU-NSHDSACASA-N 1 0 328.210 2.142 20 5 EEBDRO C[N@H+](Cc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C ZINC000905793655 1189919091 /nfs/dbraw/zinc/91/90/91/1189919091.db2.gz YKOOKTZYKQLAJP-UHFFFAOYSA-N 1 0 333.392 2.496 20 5 EEBDRO CCc1ncsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128894504 1195992970 /nfs/dbraw/zinc/99/29/70/1195992970.db2.gz MFTOIKVEALTPTJ-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cocn1 ZINC001034605992 1196418836 /nfs/dbraw/zinc/41/88/36/1196418836.db2.gz RXJCAWKBQGGVQV-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000124072467 1198161101 /nfs/dbraw/zinc/16/11/01/1198161101.db2.gz ZFEBYRACBUGVSI-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000873887367 1198730048 /nfs/dbraw/zinc/73/00/48/1198730048.db2.gz DHTKEQCHSBIMOO-KBPBESRZSA-N 1 0 349.431 2.441 20 5 EEBDRO CC(C)([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000813792301 1199175372 /nfs/dbraw/zinc/17/53/72/1199175372.db2.gz VQDPUJYFAGNZBK-UHFFFAOYSA-N 1 0 343.383 2.484 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825814653 1199387982 /nfs/dbraw/zinc/38/79/82/1199387982.db2.gz YIXNJNSEOSOKPG-UHFFFAOYSA-N 1 0 340.399 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000876767249 1199764483 /nfs/dbraw/zinc/76/44/83/1199764483.db2.gz FDWGOUIHRWYXMR-MRXNPFEDSA-N 1 0 333.432 2.366 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877177630 1199875885 /nfs/dbraw/zinc/87/58/85/1199875885.db2.gz UPXVVHYRLOHXRI-SVRRBLITSA-N 1 0 346.156 2.058 20 5 EEBDRO Cc1cccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001133179324 1200554775 /nfs/dbraw/zinc/55/47/75/1200554775.db2.gz PVWDTOTZYSQUSA-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878604358 1200568187 /nfs/dbraw/zinc/56/81/87/1200568187.db2.gz SQBFCZCXOQEMNN-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000866382985 1201504600 /nfs/dbraw/zinc/50/46/00/1201504600.db2.gz BELWYKVFRHKQQN-RYUDHWBXSA-N 1 0 335.379 2.265 20 5 EEBDRO COc1ccc(C[N@H+](CCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000880571140 1201526109 /nfs/dbraw/zinc/52/61/09/1201526109.db2.gz MCOIPTFTSZRFGT-GOSISDBHSA-N 1 0 346.383 2.131 20 5 EEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000866618604 1201561322 /nfs/dbraw/zinc/56/13/22/1201561322.db2.gz HONLXDTYBAVQNX-UHFFFAOYSA-N 1 0 334.781 2.051 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000800201931 1202219714 /nfs/dbraw/zinc/21/97/14/1202219714.db2.gz NJOKWUUTUAQMEL-UHFFFAOYSA-N 1 0 336.373 2.242 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887134402 1204213872 /nfs/dbraw/zinc/21/38/72/1204213872.db2.gz JDQMCCQAXKJONH-KDOFPFPSSA-N 1 0 342.399 2.234 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095625211 1205895443 /nfs/dbraw/zinc/89/54/43/1205895443.db2.gz DKJPNTRCHXJHGV-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095721671 1205924567 /nfs/dbraw/zinc/92/45/67/1205924567.db2.gz SZWSRENKGYPRNP-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCOC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000930285257 1206546565 /nfs/dbraw/zinc/54/65/65/1206546565.db2.gz PONKTMXYJXTGSX-UHFFFAOYSA-N 1 0 335.404 2.295 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000931722337 1207448869 /nfs/dbraw/zinc/44/88/69/1207448869.db2.gz BESRUZOWBLDEKA-DZGCQCFKSA-N 1 0 343.387 2.313 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932297959 1207578182 /nfs/dbraw/zinc/57/81/82/1207578182.db2.gz GOOMSVVGNCMAIE-OIISXLGYSA-N 1 0 329.400 2.299 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2C1 ZINC000932528071 1207624093 /nfs/dbraw/zinc/62/40/93/1207624093.db2.gz USMHBXADUAJZLN-UHFFFAOYSA-N 1 0 344.371 2.249 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000779569646 1210550118 /nfs/dbraw/zinc/55/01/18/1210550118.db2.gz FOAQGDASHAMUJW-NVXWUHKLSA-N 1 0 346.431 2.408 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(F)c1 ZINC000195131364 1211321532 /nfs/dbraw/zinc/32/15/32/1211321532.db2.gz GHCOBWLQCOLJJY-MRXNPFEDSA-N 1 0 346.362 2.349 20 5 EEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090463499 1212731331 /nfs/dbraw/zinc/73/13/31/1212731331.db2.gz IITZYUPVZLUHDY-RISCZKNCSA-N 1 0 341.433 2.387 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080673 1213614034 /nfs/dbraw/zinc/61/40/34/1213614034.db2.gz WPKHVQAGCLCTIG-XJKSGUPXSA-N 1 0 329.404 2.318 20 5 EEBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000795709437 1214994665 /nfs/dbraw/zinc/99/46/65/1214994665.db2.gz YHESLTVBNXLLET-DOMZBBRYSA-N 1 0 344.419 2.164 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2 ZINC000957550374 1215202794 /nfs/dbraw/zinc/20/27/94/1215202794.db2.gz XRZADUCLXNODRI-IOSNEALESA-N 1 0 341.839 2.109 20 5 EEBDRO CC(C)Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020139659 1229505508 /nfs/dbraw/zinc/50/55/08/1229505508.db2.gz KNVSWMWTUSVKIE-BRSBDYLESA-N 1 0 345.443 2.287 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900836822 1234887424 /nfs/dbraw/zinc/88/74/24/1234887424.db2.gz STUSSROYZQGPQB-UHFFFAOYSA-N 1 0 347.774 2.085 20 5 EEBDRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048643662 1238172863 /nfs/dbraw/zinc/17/28/63/1238172863.db2.gz SGRSTRKKYMUDST-BETUJISGSA-N 1 0 339.342 2.140 20 5 EEBDRO O=C(NCC1=CC[N@H+](C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669187 1240697248 /nfs/dbraw/zinc/69/72/48/1240697248.db2.gz GVVMIWBHMJWLMY-DSCOKBBTSA-N 1 0 341.411 2.113 20 5 EEBDRO O=C(NCC1CC[NH+](CC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401135 1242198887 /nfs/dbraw/zinc/19/88/87/1242198887.db2.gz ZQCAYQGYGBSFPP-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001097230865 1243855862 /nfs/dbraw/zinc/85/58/62/1243855862.db2.gz AXVNCTWWEQLUNM-BETUJISGSA-N 1 0 349.435 2.088 20 5 EEBDRO CC1(C)CCC(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC001072725801 1255330106 /nfs/dbraw/zinc/33/01/06/1255330106.db2.gz RXCQLTSRNFSYBT-HZPDHXFCSA-N 1 0 349.475 2.402 20 5 EEBDRO CC(C)[N@@H+]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853494699 1292398894 /nfs/dbraw/zinc/39/88/94/1292398894.db2.gz LQRGHDDDCMHKOJ-UHFFFAOYSA-N 1 0 344.419 2.227 20 5 EEBDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801555 1293639630 /nfs/dbraw/zinc/63/96/30/1293639630.db2.gz SNIQHNJJLMNFAA-QGZVFWFLSA-N 1 0 330.388 2.274 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001072725263 1296056936 /nfs/dbraw/zinc/05/69/36/1296056936.db2.gz KZJDSZHEMDGPTN-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1F ZINC001215728747 1296979610 /nfs/dbraw/zinc/97/96/10/1296979610.db2.gz HMPQRNKXAZYNAE-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO COc1cc(Br)c(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279372 1297619716 /nfs/dbraw/zinc/61/97/16/1297619716.db2.gz ONTSMVSSEXRXNY-QMMMGPOBSA-N 1 0 331.166 2.497 20 5 EEBDRO COC(=O)[C@H](OCC[N+](C)(C)C)c1cccc(Br)c1 ZINC001224776333 1300733710 /nfs/dbraw/zinc/73/37/10/1300733710.db2.gz VNFSOKCKOMDHBG-CYBMUJFWSA-N 1 0 331.230 2.386 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226433480 1301410380 /nfs/dbraw/zinc/41/03/80/1301410380.db2.gz DSEBVVKYWZXKFR-LLVKDONJSA-N 1 0 338.360 2.253 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226439992 1301413999 /nfs/dbraw/zinc/41/39/99/1301413999.db2.gz RNUIJJVSYWBGMW-LLVKDONJSA-N 1 0 338.360 2.253 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228140600 1302121793 /nfs/dbraw/zinc/12/17/93/1302121793.db2.gz KDRQXCHDTUAWOA-TZMCWYRMSA-N 1 0 344.371 2.380 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)nc1I ZINC001228568473 1302319377 /nfs/dbraw/zinc/31/93/77/1302319377.db2.gz ZBJUGUBDKFUUNN-MRVPVSSYSA-N 1 0 339.172 2.299 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103434740 1302957156 /nfs/dbraw/zinc/95/71/56/1302957156.db2.gz UEARFROXHVSCCB-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3cnc4c(cccc4[N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001231156841 1303656702 /nfs/dbraw/zinc/65/67/02/1303656702.db2.gz RNBGWFDQQNNCEH-XZJROXQQSA-N 1 0 327.340 2.326 20 5 EEBDRO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001111645480 1303749530 /nfs/dbraw/zinc/74/95/30/1303749530.db2.gz POJUUVQGQCUMDH-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO Cc1ccnc(NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001112360238 1304491898 /nfs/dbraw/zinc/49/18/98/1304491898.db2.gz JOUZCZYDTRIKMS-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[C@@H](C[NH+](C)C)Oc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21 ZINC001234750262 1305018795 /nfs/dbraw/zinc/01/87/95/1305018795.db2.gz IQDPNLMZCRVSIU-VIFPVBQESA-N 1 0 345.351 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)n1 ZINC001234879303 1305044445 /nfs/dbraw/zinc/04/44/45/1305044445.db2.gz NZYIYZXIGIANIK-GFCCVEGCSA-N 1 0 337.376 2.021 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)cc(Cl)c1F ZINC001234930763 1305054490 /nfs/dbraw/zinc/05/44/90/1305054490.db2.gz RCGQQLBYUVNYOG-SECBINFHSA-N 1 0 325.187 2.495 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799195847 1305182589 /nfs/dbraw/zinc/18/25/89/1305182589.db2.gz LZMOHKOOVJAHMK-GOEBONIOSA-N 1 0 343.383 2.219 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3nccs3)c2)CC1 ZINC001121159820 1309938012 /nfs/dbraw/zinc/93/80/12/1309938012.db2.gz LJFBVDQZUMPGFI-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO COCCN([C@H]1CC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246930027 1310469232 /nfs/dbraw/zinc/46/92/32/1310469232.db2.gz RJQCVMUVEPSONY-WMZOPIPTSA-N 1 0 333.432 2.153 20 5 EEBDRO COc1cc(N2CCC(N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001246966416 1310482574 /nfs/dbraw/zinc/48/25/74/1310482574.db2.gz UJDIMHXAIVIUGV-OKILXGFUSA-N 1 0 348.447 2.254 20 5 EEBDRO CN(CC(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000840237337 1315332211 /nfs/dbraw/zinc/33/22/11/1315332211.db2.gz JIWRJJSBHYIOMZ-CQSZACIVSA-N 1 0 335.404 2.449 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856495 1315624629 /nfs/dbraw/zinc/62/46/29/1315624629.db2.gz QEDJRNHJRIZPBS-UWVGGRQHSA-N 1 0 326.784 2.127 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857458 1315625104 /nfs/dbraw/zinc/62/51/04/1315625104.db2.gz ZKYDIMXBSPSBDM-VHSXEESVSA-N 1 0 326.784 2.140 20 5 EEBDRO Cc1c(CNC(=O)NCc2ccc(CC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000841886667 1315630913 /nfs/dbraw/zinc/63/09/13/1315630913.db2.gz QPJDNTRMFZZSTF-UHFFFAOYSA-N 1 0 342.399 2.404 20 5 EEBDRO Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843092469 1315840118 /nfs/dbraw/zinc/84/01/18/1315840118.db2.gz DDPLGNSLVUNZNM-SJLPKXTDSA-N 1 0 330.384 2.130 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000843094758 1315840368 /nfs/dbraw/zinc/84/03/68/1315840368.db2.gz LRHGMJHMDWUJIV-PBHICJAKSA-N 1 0 334.347 2.133 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C[NH3+])C1 ZINC000843347874 1315895780 /nfs/dbraw/zinc/89/57/80/1315895780.db2.gz XMTSEKJAUSCXHJ-GHMZBOCLSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H](NCC1([NH3+])CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843367319 1315901744 /nfs/dbraw/zinc/90/17/44/1315901744.db2.gz FSHCTKBIPQWZRX-SECBINFHSA-N 1 0 326.784 2.046 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843471022 1315919814 /nfs/dbraw/zinc/91/98/14/1315919814.db2.gz KKTYVDWZZISCOR-CMPLNLGQSA-N 1 0 336.348 2.011 20 5 EEBDRO COc1cccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001149771657 1316040078 /nfs/dbraw/zinc/04/00/78/1316040078.db2.gz XVGUSPMPJCNUHV-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155268306 1317532244 /nfs/dbraw/zinc/53/22/44/1317532244.db2.gz NFDBUVRCOOIVCQ-UHFFFAOYSA-N 1 0 334.763 2.139 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155522265 1317635479 /nfs/dbraw/zinc/63/54/79/1317635479.db2.gz FAPQSQNLHISBCK-XLDPMVHQSA-N 1 0 347.202 2.333 20 5 EEBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155545566 1317644987 /nfs/dbraw/zinc/64/49/87/1317644987.db2.gz VNBXQLRILWZTJP-MEBBXXQBSA-N 1 0 334.763 2.339 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155595925 1317666232 /nfs/dbraw/zinc/66/62/32/1317666232.db2.gz FFRKCUVZVWSCHY-SJKOYZFVSA-N 1 0 343.387 2.109 20 5 EEBDRO Cc1cc(N(c2ncccn2)C2C[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001155869904 1317771492 /nfs/dbraw/zinc/77/14/92/1317771492.db2.gz OAKURFQOOPYAOE-UHFFFAOYSA-N 1 0 336.355 2.351 20 5 EEBDRO C[NH+]1CCN(c2cc(-c3nnc(C4CC4)o3)cc([N+](=O)[O-])c2)CC1 ZINC001254126602 1318003482 /nfs/dbraw/zinc/00/34/82/1318003482.db2.gz UITZRFXCTKTDPC-UHFFFAOYSA-N 1 0 329.360 2.274 20 5 EEBDRO CC(C)C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254466544 1318081588 /nfs/dbraw/zinc/08/15/88/1318081588.db2.gz BNIYOASDYVUKGX-INIZCTEOSA-N 1 0 334.420 2.053 20 5 EEBDRO CC(=O)OCN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550037 1318118116 /nfs/dbraw/zinc/11/81/16/1318118116.db2.gz ZJBDYTWPILMQCH-ZDUSSCGKSA-N 1 0 335.404 2.100 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001254570962 1318126361 /nfs/dbraw/zinc/12/63/61/1318126361.db2.gz QVWWEBWNXPXDAI-KBMXLJTQSA-N 1 0 331.416 2.469 20 5 EEBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCCC1 ZINC001254576522 1318127672 /nfs/dbraw/zinc/12/76/72/1318127672.db2.gz WWYJGTBOGRNZLC-INIZCTEOSA-N 1 0 331.416 2.491 20 5 EEBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586921 1318133892 /nfs/dbraw/zinc/13/38/92/1318133892.db2.gz NBYYXOMZQGFHKN-JYJNAYRXSA-N 1 0 331.416 2.489 20 5 EEBDRO CC(C)NC(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587665 1318134535 /nfs/dbraw/zinc/13/45/35/1318134535.db2.gz YRSPDFYGSRGISI-MRXNPFEDSA-N 1 0 346.431 2.234 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3ncccn3)CC1)C2 ZINC001254602101 1318139625 /nfs/dbraw/zinc/13/96/25/1318139625.db2.gz BEZIGZWKZBVFRS-MRXNPFEDSA-N 1 0 340.383 2.395 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001156775273 1318205210 /nfs/dbraw/zinc/20/52/10/1318205210.db2.gz QPPRROSNCOIHLX-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093692 1318645877 /nfs/dbraw/zinc/64/58/77/1318645877.db2.gz ODTHMLAFSZWIQM-OAHLLOKOSA-N 1 0 335.404 2.293 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@@H]4CCO[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100793 1318646906 /nfs/dbraw/zinc/64/69/06/1318646906.db2.gz PISAHJFRZFCYKB-SCLBCKFNSA-N 1 0 347.415 2.293 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])[C@H]1C ZINC001157733636 1318824653 /nfs/dbraw/zinc/82/46/53/1318824653.db2.gz RFHDFSVRRJRSIJ-PSASIEDQSA-N 1 0 342.783 2.136 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001157797453 1318869121 /nfs/dbraw/zinc/86/91/21/1318869121.db2.gz SKRSHIIUNDGERC-KBPBESRZSA-N 1 0 336.392 2.451 20 5 EEBDRO COc1nc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001159943152 1320028298 /nfs/dbraw/zinc/02/82/98/1320028298.db2.gz LHEKVJVEKAXYRN-JTQLQIEISA-N 1 0 339.355 2.153 20 5 EEBDRO O=C(NCCC1=CC[N@H+](CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098157 1320070359 /nfs/dbraw/zinc/07/03/59/1320070359.db2.gz VHVPURLWHHCQFQ-IAGOWNOFSA-N 1 0 333.432 2.290 20 5 EEBDRO Nc1cc(NCC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC001161245919 1320432744 /nfs/dbraw/zinc/43/27/44/1320432744.db2.gz GEYZYHULKGTAIP-UHFFFAOYSA-N 1 0 342.403 2.291 20 5 EEBDRO Cc1c(C)c(N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001161669577 1320581050 /nfs/dbraw/zinc/58/10/50/1320581050.db2.gz DMFADHXOIBKOBL-HDJSIYSDSA-N 1 0 349.435 2.008 20 5 EEBDRO Cc1ccc2c(c1)[C@@H](Nc1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001162825863 1320968945 /nfs/dbraw/zinc/96/89/45/1320968945.db2.gz YAAONXTVNFNZSN-AWEZNQCLSA-N 1 0 325.372 2.479 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)ccc1C(F)(F)F ZINC001163071540 1321028305 /nfs/dbraw/zinc/02/83/05/1321028305.db2.gz DLDWSOUOPDPUHS-LBPRGKRZSA-N 1 0 331.294 2.404 20 5 EEBDRO Cc1ccc2c(ccnc2NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163164430 1321056181 /nfs/dbraw/zinc/05/61/81/1321056181.db2.gz UMDHGOUMGPWLOQ-IOASZLSFSA-N 1 0 342.399 2.488 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164462112 1321386828 /nfs/dbraw/zinc/38/68/28/1321386828.db2.gz LVWBUYRQJFKJJB-YUMQZZPRSA-N 1 0 331.829 2.324 20 5 EEBDRO COc1cnc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001164607621 1321433236 /nfs/dbraw/zinc/43/32/36/1321433236.db2.gz HAGSQOYMISZMKI-CQSZACIVSA-N 1 0 328.372 2.019 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001166700913 1321769357 /nfs/dbraw/zinc/76/93/57/1321769357.db2.gz ABODEIBIHCCFLM-CYBMUJFWSA-N 1 0 336.355 2.233 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166899567 1321812480 /nfs/dbraw/zinc/81/24/80/1321812480.db2.gz CCLCJUVNGVFDEU-KRWDZBQOSA-N 1 0 328.372 2.477 20 5 EEBDRO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC001307120076 1331510099 /nfs/dbraw/zinc/51/00/99/1331510099.db2.gz LUXDKJPHRNVBTP-CQSZACIVSA-N 1 0 329.404 2.287 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001320024440 1332812471 /nfs/dbraw/zinc/81/24/71/1332812471.db2.gz SYNIJDIJKBMNBA-HUUCEWRRSA-N 1 0 332.404 2.493 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C(C)(C)C)CC1 ZINC001324156394 1333620549 /nfs/dbraw/zinc/62/05/49/1333620549.db2.gz RERIPQCHQNCZMP-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609214889 1351895736 /nfs/dbraw/zinc/89/57/36/1351895736.db2.gz IIICUHDFOOYEJP-UHFFFAOYSA-N 1 0 345.407 2.370 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001327544810 1334312593 /nfs/dbraw/zinc/31/25/93/1334312593.db2.gz UEKXXVDVHCFIDD-HUUCEWRRSA-N 1 0 334.420 2.386 20 5 EEBDRO C[NH+](C)C1(CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CCCCC1 ZINC001609266332 1351915597 /nfs/dbraw/zinc/91/55/97/1351915597.db2.gz ZUKAXQRVLYNSRS-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC001331680145 1335057387 /nfs/dbraw/zinc/05/73/87/1335057387.db2.gz MQRKZLBKRGPFJY-RISCZKNCSA-N 1 0 330.388 2.245 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC[NH+]1CCCCCC1 ZINC001609600040 1352029981 /nfs/dbraw/zinc/02/99/81/1352029981.db2.gz NRSBCJBREIGNCR-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC001334609672 1336275229 /nfs/dbraw/zinc/27/52/29/1336275229.db2.gz IWDUWUYDBYGWOF-CQSZACIVSA-N 1 0 346.431 2.409 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001335890492 1336443892 /nfs/dbraw/zinc/44/38/92/1336443892.db2.gz IKHYPVYODDELLI-CQSZACIVSA-N 1 0 347.327 2.033 20 5 EEBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCC[NH2+]C1 ZINC001576525872 1344026705 /nfs/dbraw/zinc/02/67/05/1344026705.db2.gz JWAYKLZCNZLEDX-QGZVFWFLSA-N 1 0 332.404 2.289 20 5 EEBDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001579291208 1344366527 /nfs/dbraw/zinc/36/65/27/1344366527.db2.gz GRDXBCCZJLHECS-GOSISDBHSA-N 1 0 341.367 2.020 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001589137280 1348964825 /nfs/dbraw/zinc/96/48/25/1348964825.db2.gz XVCUWLCRMOERGM-SNVBAGLBSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1c(C[NH2+][C@H](C)c2cc(-c3nn[nH]n3)ccn2)cccc1[N+](=O)[O-] ZINC001605488001 1351169728 /nfs/dbraw/zinc/16/97/28/1351169728.db2.gz LLBWBKTUUBLTCT-LLVKDONJSA-N 1 0 339.359 2.329 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000852897469 1369311637 /nfs/dbraw/zinc/31/16/37/1369311637.db2.gz AYPHLIWYPRDQFG-UHFFFAOYSA-N 1 0 348.172 2.306 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000842267605 1369914695 /nfs/dbraw/zinc/91/46/95/1369914695.db2.gz VATAERNNUYLLPI-SNVBAGLBSA-N 1 0 341.795 2.471 20 5 EEBDRO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)s1 ZINC001072726832 1370779124 /nfs/dbraw/zinc/77/91/24/1370779124.db2.gz SYWDFVIDEAVIMC-HUUCEWRRSA-N 1 0 349.456 2.064 20 5 EEBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000888092305 1371273465 /nfs/dbraw/zinc/27/34/65/1371273465.db2.gz UGULNNOYZWEEES-SJCJKPOMSA-N 1 0 332.356 2.172 20 5 EEBDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000782530110 1371308697 /nfs/dbraw/zinc/30/86/97/1371308697.db2.gz BNSIZAPRQUKMFO-OAHLLOKOSA-N 1 0 339.367 2.419 20 5 EEBDRO Cc1c(C(=O)NC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000839441743 1372902366 /nfs/dbraw/zinc/90/23/66/1372902366.db2.gz PYSSHNMARCGDLY-UHFFFAOYSA-N 1 0 338.364 2.190 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccccc1O)Cc1ccc([N+](=O)[O-])cc1 ZINC001753042435 1406626548 /nfs/dbraw/zinc/62/65/48/1406626548.db2.gz TVHCKZAULIRGOK-UHFFFAOYSA-N 1 0 329.356 2.162 20 5 EEBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cncs1 ZINC001754050766 1406821834 /nfs/dbraw/zinc/82/18/34/1406821834.db2.gz JZRUJUVBXVORCK-UHFFFAOYSA-N 1 0 348.428 2.232 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001577107424 1403623028 /nfs/dbraw/zinc/62/30/28/1403623028.db2.gz WTGIQYQSHXROFI-UHFFFAOYSA-N 1 0 346.387 2.156 20 5 EEBDRO CCNc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001577901962 1403692972 /nfs/dbraw/zinc/69/29/72/1403692972.db2.gz FDQQRUZZKSWBIL-GUYCJALGSA-N 1 0 332.404 2.228 20 5 EEBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC001751974752 1406156542 /nfs/dbraw/zinc/15/65/42/1406156542.db2.gz KGUIJKAWZRJARV-QZTJIDSGSA-N 1 0 341.411 2.443 20 5 EEBDRO CN(CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC001100242153 1410536534 /nfs/dbraw/zinc/53/65/34/1410536534.db2.gz GNOMYZJKTYRJIR-UHFFFAOYSA-N 1 0 339.355 2.109 20 5 EEBDRO O=c1[nH]ccc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000695492279 765289058 /nfs/dbraw/zinc/28/90/58/765289058.db2.gz IPLMFAJMAYUUQC-NHAGDIPZSA-N 1 0 326.356 2.238 20 5 EEBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237858559 774329738 /nfs/dbraw/zinc/32/97/38/774329738.db2.gz UHVVLBKELFNBFL-UHFFFAOYSA-N 1 0 342.193 2.357 20 5 EEBDRO [NH3+]C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000237869072 774352155 /nfs/dbraw/zinc/35/21/55/774352155.db2.gz HUJLQMSYKGBTCH-UHFFFAOYSA-N 1 0 347.293 2.099 20 5 EEBDRO O=C(c1cocn1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997601106 790393502 /nfs/dbraw/zinc/39/35/02/790393502.db2.gz HREUMKHVNXYGTH-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000846698360 790433370 /nfs/dbraw/zinc/43/33/70/790433370.db2.gz FZOCRLWDWOHBLO-ZJUUUORDSA-N 1 0 347.824 2.057 20 5 EEBDRO CC[N@H+](CC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000112200176 777177018 /nfs/dbraw/zinc/17/70/18/777177018.db2.gz JOARURPNCYVMBX-UHFFFAOYSA-N 1 0 332.360 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4nonc4c3)C2)nc1 ZINC000846827726 790607587 /nfs/dbraw/zinc/60/75/87/790607587.db2.gz XBFIGINVYJOCLE-GFCCVEGCSA-N 1 0 340.343 2.212 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001167899802 779535728 /nfs/dbraw/zinc/53/57/28/779535728.db2.gz RBXSMZNTKOXAGW-LLVKDONJSA-N 1 0 335.282 2.306 20 5 EEBDRO COc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cnc1[N+](=O)[O-] ZINC001167985300 781375431 /nfs/dbraw/zinc/37/54/31/781375431.db2.gz DMCCXKLOZJMPLE-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091458829 790891616 /nfs/dbraw/zinc/89/16/16/790891616.db2.gz JHXLSNNOQFUDOI-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1occ2c1CCC2 ZINC001131851581 783356178 /nfs/dbraw/zinc/35/61/78/783356178.db2.gz XUEYFNMQLWLWAW-UHFFFAOYSA-N 1 0 329.356 2.196 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082829 785393763 /nfs/dbraw/zinc/39/37/63/785393763.db2.gz SPDBSNIVJNLKIO-NVXWUHKLSA-N 1 0 328.372 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000819171622 785446289 /nfs/dbraw/zinc/44/62/89/785446289.db2.gz KOHCWYPNDKWAMA-HOTGVXAUSA-N 1 0 344.367 2.448 20 5 EEBDRO COCC[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819222207 785476984 /nfs/dbraw/zinc/47/69/84/785476984.db2.gz UJHFIWFVIBDUHO-WMLDXEAASA-N 1 0 334.372 2.459 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC1CCCCC1 ZINC000819296189 785490024 /nfs/dbraw/zinc/49/00/24/785490024.db2.gz ZXYLPNMXJYNGAZ-INIZCTEOSA-N 1 0 336.388 2.484 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000819265788 785500240 /nfs/dbraw/zinc/50/02/40/785500240.db2.gz IYIUCQUTTSMLED-CRAIPNDOSA-N 1 0 328.368 2.481 20 5 EEBDRO CC[N@@H+](c1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000819398839 785529720 /nfs/dbraw/zinc/52/97/20/785529720.db2.gz QQSSOMMVXBBMNX-KRWDZBQOSA-N 1 0 347.419 2.499 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129295396 786425742 /nfs/dbraw/zinc/42/57/42/786425742.db2.gz VTFPWFKFJPSRFN-AWEZNQCLSA-N 1 0 339.367 2.298 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC/C=C\CNC(=O)CCCC[NH+](C)C ZINC001107269741 786669678 /nfs/dbraw/zinc/66/96/78/786669678.db2.gz WWCXCSSLRGGOJW-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129317883 786890961 /nfs/dbraw/zinc/89/09/61/786890961.db2.gz ABSKDRDAYZWDPF-NEPJUHHUSA-N 1 0 339.367 2.155 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001107392086 787106835 /nfs/dbraw/zinc/10/68/35/787106835.db2.gz SZUTXGJKAZJANL-BQYQJAHWSA-N 1 0 349.435 2.113 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000822503185 787246219 /nfs/dbraw/zinc/24/62/19/787246219.db2.gz ZYNUMRJDUYUUHB-UHFFFAOYSA-N 1 0 331.294 2.326 20 5 EEBDRO C[NH2+]CCc1ccccc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094906 787540824 /nfs/dbraw/zinc/54/08/24/787540824.db2.gz UOZMJHYTHMHNJJ-UHFFFAOYSA-N 1 0 342.359 2.116 20 5 EEBDRO CC(C)(CCc1noc([C@@]2(c3ccccc3)CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000823234264 787612060 /nfs/dbraw/zinc/61/20/60/787612060.db2.gz HXXKUWGSSCEISZ-KRWDZBQOSA-N 1 0 330.388 2.337 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823276419 787651752 /nfs/dbraw/zinc/65/17/52/787651752.db2.gz QSGWWHXOKCBNSI-PQEBFOHHSA-N 1 0 329.400 2.251 20 5 EEBDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000823913725 787978695 /nfs/dbraw/zinc/97/86/95/787978695.db2.gz ANHGWCJCUBHXGD-CYBMUJFWSA-N 1 0 347.419 2.421 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939439 787994576 /nfs/dbraw/zinc/99/45/76/787994576.db2.gz UIKIPDQXOIAADV-RISCZKNCSA-N 1 0 333.392 2.268 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000844257334 788953707 /nfs/dbraw/zinc/95/37/07/788953707.db2.gz GAMZOHFRTKIMJQ-INIZCTEOSA-N 1 0 329.356 2.247 20 5 EEBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000165829748 789572512 /nfs/dbraw/zinc/57/25/12/789572512.db2.gz QLUBSIRSOBUOHE-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO O=C(C(F)F)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997452321 789933392 /nfs/dbraw/zinc/93/33/92/789933392.db2.gz ZEHHQYKBKCPYJG-UHFFFAOYSA-N 1 0 327.331 2.188 20 5 EEBDRO CCc1nc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001146694921 791434797 /nfs/dbraw/zinc/43/47/97/791434797.db2.gz NARCKYPHNJFUFC-UHFFFAOYSA-N 1 0 338.389 2.035 20 5 EEBDRO Cc1cc(NCCNC(=O)CC2([NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC001094006711 795853867 /nfs/dbraw/zinc/85/38/67/795853867.db2.gz CMHOCFLKSKKIRU-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+]1CCCCC1 ZINC001106777808 796516571 /nfs/dbraw/zinc/51/65/71/796516571.db2.gz KIGJTBFQYKSNKP-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO [NH3+]Cc1cn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173005814 797194160 /nfs/dbraw/zinc/19/41/60/797194160.db2.gz KLLIWFKEOVTMEZ-UHFFFAOYSA-N 1 0 337.330 2.370 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cn(C)cn2)c1F ZINC001173175087 797276546 /nfs/dbraw/zinc/27/65/46/797276546.db2.gz KIOAPPGCBVXZAF-NSHDSACASA-N 1 0 336.367 2.239 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCc3ncn(C)c3C2)c1F ZINC001173191074 797281425 /nfs/dbraw/zinc/28/14/25/797281425.db2.gz ABYHITVPQAMXGX-NSHDSACASA-N 1 0 348.378 2.465 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CC(OC)OC)c1F ZINC001173197605 797284441 /nfs/dbraw/zinc/28/44/41/797284441.db2.gz VHFCZVCZTSFVCO-SNVBAGLBSA-N 1 0 330.356 2.224 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001173225997 797309987 /nfs/dbraw/zinc/30/99/87/797309987.db2.gz GWROZBXPMIZOOE-YJBOKZPZSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC001173230700 797310916 /nfs/dbraw/zinc/31/09/16/797310916.db2.gz ZMSHPCGIWIFBLW-AWEZNQCLSA-N 1 0 327.388 2.138 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001095228695 797552671 /nfs/dbraw/zinc/55/26/71/797552671.db2.gz RITOUOBHMVDABI-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691782 797603415 /nfs/dbraw/zinc/60/34/15/797603415.db2.gz PQXKHPJOCKLBLT-LBPRGKRZSA-N 1 0 341.433 2.136 20 5 EEBDRO O=C(NCCCCCC[NH2+]CC=C(Cl)Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464477 799487434 /nfs/dbraw/zinc/48/74/34/799487434.db2.gz SUXPXVCEMWKIRW-GHMZBOCLSA-N 1 0 338.235 2.237 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001110317806 801229089 /nfs/dbraw/zinc/22/90/89/801229089.db2.gz XHZOLHLZLYBZOW-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nccs1 ZINC001086231778 802557095 /nfs/dbraw/zinc/55/70/95/802557095.db2.gz AXCOYYUQBOBDIA-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[NH2+]C[C@H]1c1cccs1 ZINC001156089285 803194107 /nfs/dbraw/zinc/19/41/07/803194107.db2.gz IVGURPGENIEUTF-QMMMGPOBSA-N 1 0 325.781 2.251 20 5 EEBDRO Cc1cnoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086524462 803296566 /nfs/dbraw/zinc/29/65/66/803296566.db2.gz SIBUFZMECRNSKC-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168978250 803543862 /nfs/dbraw/zinc/54/38/62/803543862.db2.gz QHBWNEXYLVCREX-PVAVHDDUSA-N 1 0 331.416 2.326 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964199 803552073 /nfs/dbraw/zinc/55/20/73/803552073.db2.gz RTTKWOHKWQGIAU-RFQIPJPRSA-N 1 0 327.425 2.277 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC001168967079 803552879 /nfs/dbraw/zinc/55/28/79/803552879.db2.gz NAISPTGUPSOXGL-CRAIPNDOSA-N 1 0 333.432 2.054 20 5 EEBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncc([N+](=O)[O-])cn1 ZINC001168991803 803560081 /nfs/dbraw/zinc/56/00/81/803560081.db2.gz NIDXTUPFFKCEGB-UHFFFAOYSA-N 1 0 332.751 2.268 20 5 EEBDRO Cc1ccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001168998898 803564631 /nfs/dbraw/zinc/56/46/31/803564631.db2.gz QVKQILWMIYTWJE-HOTGVXAUSA-N 1 0 333.432 2.473 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)nc2)C1 ZINC001168999480 803565352 /nfs/dbraw/zinc/56/53/52/803565352.db2.gz UHNVHWHRJIGTQS-RDJZCZTQSA-N 1 0 349.431 2.422 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007124 803568357 /nfs/dbraw/zinc/56/83/57/803568357.db2.gz LJAKMVQNWMWQQL-TZMCWYRMSA-N 1 0 327.425 2.421 20 5 EEBDRO Cc1cc(C)nc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169048281 803594767 /nfs/dbraw/zinc/59/47/67/803594767.db2.gz UDQWYXXVBGQRLE-ZBFHGGJFSA-N 1 0 333.436 2.097 20 5 EEBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000790445677 808715674 /nfs/dbraw/zinc/71/56/74/808715674.db2.gz NQLYLCGKZOURHQ-UHFFFAOYSA-N 1 0 340.295 2.038 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170306578 809900472 /nfs/dbraw/zinc/90/04/72/809900472.db2.gz XSSDMGRWYFQBPZ-UKRRQHHQSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170353155 809901939 /nfs/dbraw/zinc/90/19/39/809901939.db2.gz WUFVKPXKHDYMKQ-WFASDCNBSA-N 1 0 335.404 2.087 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001129483923 810859085 /nfs/dbraw/zinc/85/90/85/810859085.db2.gz HNJVSTNBFZPJSD-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCSC1 ZINC000804532954 810913735 /nfs/dbraw/zinc/91/37/35/810913735.db2.gz QJNKSYPAMNOXSC-CYBMUJFWSA-N 1 0 326.378 2.352 20 5 EEBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)n1 ZINC001131560527 812970912 /nfs/dbraw/zinc/97/09/12/812970912.db2.gz RMYKRJMLNBLZBN-UHFFFAOYSA-N 1 0 348.428 2.496 20 5 EEBDRO CC[NH+]1CCC(C[NH2+][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001596404303 983973439 /nfs/dbraw/zinc/97/34/39/983973439.db2.gz YHZIRVCMOVFWJM-QGZVFWFLSA-N 1 0 335.404 2.216 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055669 529793703 /nfs/dbraw/zinc/79/37/03/529793703.db2.gz OZEBXLYTHDGQPL-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066143498 215016584 /nfs/dbraw/zinc/01/65/84/215016584.db2.gz DFQRUYXCZMGYDP-CYBMUJFWSA-N 1 0 348.359 2.122 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186808010 236028615 /nfs/dbraw/zinc/02/86/15/236028615.db2.gz HOKOFFUVHQIQTL-OAHLLOKOSA-N 1 0 338.429 2.226 20 5 EEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000449590265 296026608 /nfs/dbraw/zinc/02/66/08/296026608.db2.gz LBHOYKFTBWRKDJ-OLZOCXBDSA-N 1 0 334.420 2.297 20 5 EEBDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420274167 239710386 /nfs/dbraw/zinc/71/03/86/239710386.db2.gz MQUDVDQCRVXSQH-SNVBAGLBSA-N 1 0 332.326 2.238 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000193498423 240189509 /nfs/dbraw/zinc/18/95/09/240189509.db2.gz DRVOQZYDNNMAJS-IUODEOHRSA-N 1 0 332.404 2.065 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@H]3CCCO3)o2)cc1 ZINC000447985563 242349023 /nfs/dbraw/zinc/34/90/23/242349023.db2.gz GNAJGHMXVZKAJG-DOTOQJQBSA-N 1 0 332.356 2.484 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H](CO)Cc2ccccc2)n1 ZINC000447593593 242292737 /nfs/dbraw/zinc/29/27/37/242292737.db2.gz TWFFKYXJICXCPA-ULQDDVLXSA-N 1 0 344.415 2.468 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236890814 242399278 /nfs/dbraw/zinc/39/92/78/242399278.db2.gz NGKLPDMAYYDHMU-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[NH2+]CCN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237353058 242600298 /nfs/dbraw/zinc/60/02/98/242600298.db2.gz YSGLMDNIWXMOCG-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451498303 243134647 /nfs/dbraw/zinc/13/46/47/243134647.db2.gz XFOHPLKPLDCWNZ-XYPHTWIQSA-N 1 0 345.399 2.389 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451498165 243134992 /nfs/dbraw/zinc/13/49/92/243134992.db2.gz MVQAAVZQCBGHAI-CABCVRRESA-N 1 0 349.387 2.296 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451534639 243147979 /nfs/dbraw/zinc/14/79/79/243147979.db2.gz XXMWFHZWSFLWTI-JLJPHGGASA-N 1 0 338.404 2.081 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451602120 243173757 /nfs/dbraw/zinc/17/37/57/243173757.db2.gz INFUAJYNFABUMS-QAPCUYQASA-N 1 0 347.415 2.228 20 5 EEBDRO Cc1c(CN2CCCC[C@H]2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000451657913 243193888 /nfs/dbraw/zinc/19/38/88/243193888.db2.gz LOJCUGZDQAZNCF-AWEZNQCLSA-N 1 0 326.418 2.302 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773472 245242509 /nfs/dbraw/zinc/24/25/09/245242509.db2.gz STTCOJXQODXLIN-CABCVRRESA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000131193792 296208484 /nfs/dbraw/zinc/20/84/84/296208484.db2.gz ZMBWHIYLBVJBSL-PWSUYJOCSA-N 1 0 341.795 2.355 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000265008950 247132342 /nfs/dbraw/zinc/13/23/42/247132342.db2.gz FLJPWFRZTKIMSO-HNNXBMFYSA-N 1 0 334.372 2.249 20 5 EEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063645 248071531 /nfs/dbraw/zinc/07/15/31/248071531.db2.gz WJHNSPNSHIIXFG-IRXDYDNUSA-N 1 0 334.416 2.389 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000266607924 248381101 /nfs/dbraw/zinc/38/11/01/248381101.db2.gz GQVHIPAMVHTVHQ-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363543918 285088731 /nfs/dbraw/zinc/08/87/31/285088731.db2.gz HBIRIXWRMUDNRH-GDBMZVCRSA-N 1 0 339.823 2.279 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267378552 256053514 /nfs/dbraw/zinc/05/35/14/256053514.db2.gz LVCYGYVUWHWKKG-UHFFFAOYSA-N 1 0 339.436 2.394 20 5 EEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267527390 256066556 /nfs/dbraw/zinc/06/65/56/256066556.db2.gz OPLQVVIYHAOIME-GFCCVEGCSA-N 1 0 344.371 2.015 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000270453839 256137072 /nfs/dbraw/zinc/13/70/72/256137072.db2.gz LHRDMXWJCUQDLB-AWEZNQCLSA-N 1 0 340.387 2.306 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000276014195 256395450 /nfs/dbraw/zinc/39/54/50/256395450.db2.gz QHBZUIQGMKDFNH-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265313 256368947 /nfs/dbraw/zinc/36/89/47/256368947.db2.gz YIYFMBCPMTYPIS-YOEHRIQHSA-N 1 0 340.420 2.390 20 5 EEBDRO Cc1cc(N(C)CC2(O)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275813420 256382028 /nfs/dbraw/zinc/38/20/28/256382028.db2.gz LTWNJZOGMWESON-UHFFFAOYSA-N 1 0 331.372 2.429 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000339522897 152568537 /nfs/dbraw/zinc/56/85/37/152568537.db2.gz GGGMOCXFIRBCMU-UHFFFAOYSA-N 1 0 348.378 2.312 20 5 EEBDRO COc1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000354018703 153058859 /nfs/dbraw/zinc/05/88/59/153058859.db2.gz ROWSCPXKEJSOND-OAHLLOKOSA-N 1 0 336.388 2.373 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000119428613 159377731 /nfs/dbraw/zinc/37/77/31/159377731.db2.gz PFQXZAWZLQPOHI-GFCCVEGCSA-N 1 0 345.403 2.188 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000178980229 159917043 /nfs/dbraw/zinc/91/70/43/159917043.db2.gz YLFZNIQTMBNCSA-SWLSCSKDSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000216117414 160215787 /nfs/dbraw/zinc/21/57/87/160215787.db2.gz POXXBGZDVVNMLL-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000344061767 161194990 /nfs/dbraw/zinc/19/49/90/161194990.db2.gz BHGRERYUMAVIJF-CGTJXYLNSA-N 1 0 331.416 2.374 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000344413601 161224932 /nfs/dbraw/zinc/22/49/32/161224932.db2.gz DPBAUPFSZQCQFM-OKILXGFUSA-N 1 0 344.415 2.491 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352498864 162159472 /nfs/dbraw/zinc/15/94/72/162159472.db2.gz ICCUUNMVQLSYME-AWEZNQCLSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCOC[C@H]1C ZINC000355651185 163259109 /nfs/dbraw/zinc/25/91/09/163259109.db2.gz BWNSIWWSPBFPSM-CYBMUJFWSA-N 1 0 336.392 2.054 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)CCO1 ZINC000356168393 163356770 /nfs/dbraw/zinc/35/67/70/163356770.db2.gz HFZHFSQYHPXSCJ-NSHDSACASA-N 1 0 338.383 2.006 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367869988 166012828 /nfs/dbraw/zinc/01/28/28/166012828.db2.gz YSWMGODTZZAHRK-HIFRSBDPSA-N 1 0 332.404 2.092 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+](CC)CC ZINC000360021952 164217862 /nfs/dbraw/zinc/21/78/62/164217862.db2.gz GLWLGCQKDXIAOK-LBPRGKRZSA-N 1 0 343.449 2.166 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295965 164277736 /nfs/dbraw/zinc/27/77/36/164277736.db2.gz KOQKGLAMUIGLJQ-DZGCQCFKSA-N 1 0 342.399 2.184 20 5 EEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000360666064 164360015 /nfs/dbraw/zinc/36/00/15/164360015.db2.gz NLDBRNYKPVKTSY-NXEZZACHSA-N 1 0 347.824 2.009 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000374871965 167056980 /nfs/dbraw/zinc/05/69/80/167056980.db2.gz CSBPIKMMBQEDHD-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378236330 167646777 /nfs/dbraw/zinc/64/67/77/167646777.db2.gz XLRLFUMDTGQTNY-CQSZACIVSA-N 1 0 343.387 2.075 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237892217 268664595 /nfs/dbraw/zinc/66/45/95/268664595.db2.gz CKWZSRNHVNWJPS-HZPDHXFCSA-N 1 0 334.420 2.421 20 5 EEBDRO COC[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274797973 269054250 /nfs/dbraw/zinc/05/42/50/269054250.db2.gz DQTZOGGRXXXCDO-LBPRGKRZSA-N 1 0 333.392 2.018 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+](C)C ZINC000274835037 269061084 /nfs/dbraw/zinc/06/10/84/269061084.db2.gz SDDZTXBMSZAVND-KGLIPLIRSA-N 1 0 338.433 2.413 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277801733 269184884 /nfs/dbraw/zinc/18/48/84/269184884.db2.gz PLWBSLNAVOKEPG-NUTKFTJISA-N 1 0 330.388 2.097 20 5 EEBDRO CCNC(=O)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000277956464 269201418 /nfs/dbraw/zinc/20/14/18/269201418.db2.gz WKWIBJQCLIKBMH-UHFFFAOYSA-N 1 0 343.387 2.303 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278886678 269248050 /nfs/dbraw/zinc/24/80/50/269248050.db2.gz NRKADPVBRWQYJS-UHFFFAOYSA-N 1 0 344.419 2.204 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000278959983 269253432 /nfs/dbraw/zinc/25/34/32/269253432.db2.gz ZZXPXMVPLKKLKF-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]3CCO)o2)cc1 ZINC000279277061 269266215 /nfs/dbraw/zinc/26/62/15/269266215.db2.gz OBXYWDYXQGJLNH-RISCZKNCSA-N 1 0 332.360 2.286 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC=CCC1 ZINC000279623439 269295355 /nfs/dbraw/zinc/29/53/55/269295355.db2.gz BCKFJCAOIJVPQY-AWEZNQCLSA-N 1 0 332.404 2.163 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000105790507 274271385 /nfs/dbraw/zinc/27/13/85/274271385.db2.gz QTBCGCZMFNVABI-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)CO[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342694 274349164 /nfs/dbraw/zinc/34/91/64/274349164.db2.gz MACRONZMNWLQOA-KCXAZCMYSA-N 1 0 326.393 2.048 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000286223423 274849932 /nfs/dbraw/zinc/84/99/32/274849932.db2.gz DEENHXAJAYJXKL-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)nc1-c1ccccc1 ZINC000092689442 275035983 /nfs/dbraw/zinc/03/59/83/275035983.db2.gz SZANWTGGVSFAAU-UHFFFAOYSA-N 1 0 342.399 2.208 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H](CO)Cc2ccccc2)n1 ZINC000447593594 275040536 /nfs/dbraw/zinc/04/05/36/275040536.db2.gz TWFFKYXJICXCPA-YESZJQIVSA-N 1 0 344.415 2.468 20 5 EEBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1O ZINC000289574078 275128887 /nfs/dbraw/zinc/12/88/87/275128887.db2.gz ZYCLABJOOUTJKE-HNNXBMFYSA-N 1 0 346.383 2.250 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000290058241 275174915 /nfs/dbraw/zinc/17/49/15/275174915.db2.gz HBEUZWNKEQBHRX-JTQLQIEISA-N 1 0 332.809 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000290199770 275188704 /nfs/dbraw/zinc/18/87/04/275188704.db2.gz RFPBMYBFQMULKD-CYBMUJFWSA-N 1 0 333.388 2.065 20 5 EEBDRO CC(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000290446244 275208130 /nfs/dbraw/zinc/20/81/30/275208130.db2.gz CPXWAUWZFQMEQE-AWEZNQCLSA-N 1 0 349.435 2.401 20 5 EEBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000290882382 275248838 /nfs/dbraw/zinc/24/88/38/275248838.db2.gz CCKAUMDBPITEMI-BXUZGUMPSA-N 1 0 343.387 2.192 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000344061769 275472511 /nfs/dbraw/zinc/47/25/11/275472511.db2.gz BHGRERYUMAVIJF-RYQLBKOJSA-N 1 0 331.416 2.374 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423734542 276382119 /nfs/dbraw/zinc/38/21/19/276382119.db2.gz CZVPKNOSQDOMMZ-JTQLQIEISA-N 1 0 335.282 2.003 20 5 EEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344980743 277153687 /nfs/dbraw/zinc/15/36/87/277153687.db2.gz WLYGBNMQVPYTOJ-CABCVRRESA-N 1 0 325.796 2.153 20 5 EEBDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344206081 277564291 /nfs/dbraw/zinc/56/42/91/277564291.db2.gz DUJJPKWXXKGQOE-LBPRGKRZSA-N 1 0 327.812 2.449 20 5 EEBDRO CS[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH+](C)C ZINC000340742147 278157124 /nfs/dbraw/zinc/15/71/24/278157124.db2.gz KHNMKIRQIJZANY-QWHCGFSZSA-N 1 0 349.416 2.127 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000359203810 278959215 /nfs/dbraw/zinc/95/92/15/278959215.db2.gz UYDINQTWFWMITF-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000182664571 281021298 /nfs/dbraw/zinc/02/12/98/281021298.db2.gz XYEWCAWRBHTWHH-ZDUSSCGKSA-N 1 0 332.404 2.454 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351652863 281261141 /nfs/dbraw/zinc/26/11/41/281261141.db2.gz SZUHAFXCNXQOLT-OCCSQVGLSA-N 1 0 335.404 2.325 20 5 EEBDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000284023575 293017621 /nfs/dbraw/zinc/01/76/21/293017621.db2.gz IWIRKGVTVDAYJV-DYVFJYSZSA-N 1 0 336.436 2.184 20 5 EEBDRO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293753720 293287347 /nfs/dbraw/zinc/28/73/47/293287347.db2.gz SUVTXZAQYBLIOA-LBPRGKRZSA-N 1 0 332.404 2.123 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293782866 293293910 /nfs/dbraw/zinc/29/39/10/293293910.db2.gz BWOFTQKSJJOUKX-OBJOEFQTSA-N 1 0 326.418 2.081 20 5 EEBDRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293906410 293323957 /nfs/dbraw/zinc/32/39/57/293323957.db2.gz RORPDYJBSRZFSU-LLVKDONJSA-N 1 0 343.811 2.331 20 5 EEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297405439 294235020 /nfs/dbraw/zinc/23/50/20/294235020.db2.gz CMXXXHNFBSSMJM-KSZLIROESA-N 1 0 344.415 2.420 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000297523159 294268645 /nfs/dbraw/zinc/26/86/45/294268645.db2.gz BKWDGZHYIQHDES-ZWNOBZJWSA-N 1 0 339.367 2.155 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000297959577 294383604 /nfs/dbraw/zinc/38/36/04/294383604.db2.gz VBLKZJLKUGHBNZ-HNNXBMFYSA-N 1 0 325.315 2.041 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298996803 294633716 /nfs/dbraw/zinc/63/37/16/294633716.db2.gz RJCLOYFQDQXGIH-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238003647 295255577 /nfs/dbraw/zinc/25/55/77/295255577.db2.gz KALPJHHPHLSTNG-KWQFWETISA-N 1 0 331.294 2.471 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]21 ZINC000423581943 295309115 /nfs/dbraw/zinc/30/91/15/295309115.db2.gz ZPPMCENIVLZZDQ-KCPJHIHWSA-N 1 0 340.383 2.342 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193291916 301199655 /nfs/dbraw/zinc/19/96/55/301199655.db2.gz UFXWDQHSJWKVHJ-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000414654364 313057167 /nfs/dbraw/zinc/05/71/67/313057167.db2.gz JAJKLJWNJRPQDN-QWHCGFSZSA-N 1 0 334.376 2.113 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416501914 313239966 /nfs/dbraw/zinc/23/99/66/313239966.db2.gz NMQQNSDBZAQEOV-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417235969 313459795 /nfs/dbraw/zinc/45/97/95/313459795.db2.gz SIKMPBCETNFKEX-QGZVFWFLSA-N 1 0 346.431 2.311 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418715338 313887469 /nfs/dbraw/zinc/88/74/69/313887469.db2.gz BIEAJROLGVBJJY-IUODEOHRSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421007999 314022407 /nfs/dbraw/zinc/02/24/07/314022407.db2.gz CWLDZFIWVLDIDT-KBPBESRZSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421014215 314026403 /nfs/dbraw/zinc/02/64/03/314026403.db2.gz VRWBXTPSCAHQIS-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000425507292 314409356 /nfs/dbraw/zinc/40/93/56/314409356.db2.gz MDJYVDDTCIVNQV-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431963230 314669968 /nfs/dbraw/zinc/66/99/68/314669968.db2.gz DHBNXWGKDUOSNR-DOTOQJQBSA-N 1 0 346.387 2.265 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440404740 315128637 /nfs/dbraw/zinc/12/86/37/315128637.db2.gz GBLXRJKHZRUDRB-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448693157 315376525 /nfs/dbraw/zinc/37/65/25/315376525.db2.gz ZSEXKZDQKRDLQL-LLVKDONJSA-N 1 0 339.367 2.347 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000514735714 316418316 /nfs/dbraw/zinc/41/83/16/316418316.db2.gz PTLKMYJFHFFQHQ-UHFFFAOYSA-N 1 0 330.388 2.137 20 5 EEBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(OCC[NH+](C)C)c1 ZINC000524119713 317008438 /nfs/dbraw/zinc/00/84/38/317008438.db2.gz ZVBVHXQHRUGNPB-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000540141120 318070988 /nfs/dbraw/zinc/07/09/88/318070988.db2.gz CTZBLXWHIODAQO-UMVBOHGHSA-N 1 0 340.445 2.329 20 5 EEBDRO COC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000542524106 318131535 /nfs/dbraw/zinc/13/15/35/318131535.db2.gz KKDMEKFJLXERRQ-ZDUSSCGKSA-N 1 0 337.376 2.153 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000543759557 318172837 /nfs/dbraw/zinc/17/28/37/318172837.db2.gz UJOGLUHUUJVQQY-UHFFFAOYSA-N 1 0 331.376 2.166 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000544585783 318192111 /nfs/dbraw/zinc/19/21/11/318192111.db2.gz DKNRTIQJXZXKKH-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO COc1ccc(CC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000545986515 318238571 /nfs/dbraw/zinc/23/85/71/318238571.db2.gz GFVJSEDWNZQPAN-UHFFFAOYSA-N 1 0 335.404 2.090 20 5 EEBDRO CN(CCC[NH3+])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000562813579 318934229 /nfs/dbraw/zinc/93/42/29/318934229.db2.gz GKIIORIPGWBRLW-UHFFFAOYSA-N 1 0 334.298 2.104 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(CNC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000565931740 319227052 /nfs/dbraw/zinc/22/70/52/319227052.db2.gz OEAVWMNUTOPILS-UHFFFAOYSA-N 1 0 329.404 2.435 20 5 EEBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000566101507 319244608 /nfs/dbraw/zinc/24/46/08/319244608.db2.gz UTUACGHFMOCSAT-GFCCVEGCSA-N 1 0 343.387 2.288 20 5 EEBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000566404523 319281941 /nfs/dbraw/zinc/28/19/41/319281941.db2.gz ZYBLOUGIXGLQMF-QGZVFWFLSA-N 1 0 328.372 2.317 20 5 EEBDRO C[C@@H](CCc1cccn1C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567690750 319405665 /nfs/dbraw/zinc/40/56/65/319405665.db2.gz INPLEFMCIJDTSQ-YOEHRIQHSA-N 1 0 347.415 2.284 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000567876036 319429942 /nfs/dbraw/zinc/42/99/42/319429942.db2.gz HCMDCHUPTCLYLR-DOTOQJQBSA-N 1 0 346.431 2.448 20 5 EEBDRO CCc1ccnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000576629817 320189869 /nfs/dbraw/zinc/18/98/69/320189869.db2.gz GXZZXTYXBXYANP-MRXNPFEDSA-N 1 0 331.372 2.082 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165851351 463649370 /nfs/dbraw/zinc/64/93/70/463649370.db2.gz JNJAOGXTMFZIAP-NSHDSACASA-N 1 0 342.193 2.311 20 5 EEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295946791 465031106 /nfs/dbraw/zinc/03/11/06/465031106.db2.gz GSZXFROYWGXVHX-LBPRGKRZSA-N 1 0 334.376 2.419 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C[NH+](C)C)CC1 ZINC000350954633 465045995 /nfs/dbraw/zinc/04/59/95/465045995.db2.gz ZXNVBYBEPBHLSR-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO CO[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000296079911 465074040 /nfs/dbraw/zinc/07/40/40/465074040.db2.gz PWPAZEJWGGHKNH-MRXNPFEDSA-N 1 0 347.415 2.231 20 5 EEBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341276000 465087489 /nfs/dbraw/zinc/08/74/89/465087489.db2.gz GZEIGHYJVBQGSU-UHFFFAOYSA-N 1 0 344.415 3.037 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCCC[C@H]1O ZINC000351199103 465090224 /nfs/dbraw/zinc/09/02/24/465090224.db2.gz HHKIZVSZRKYQGG-UKRRQHHQSA-N 1 0 335.404 2.325 20 5 EEBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341390060 465144045 /nfs/dbraw/zinc/14/40/45/465144045.db2.gz KQPPFTGHCARTKJ-ABAIWWIYSA-N 1 0 341.433 2.016 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497799 465187042 /nfs/dbraw/zinc/18/70/42/465187042.db2.gz YBGCZYFYKKSJSZ-ZIAGYGMSSA-N 1 0 331.376 2.468 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296429862 465191913 /nfs/dbraw/zinc/19/19/13/465191913.db2.gz VIYQBZLQAHQGEH-UHFFFAOYSA-N 1 0 345.403 2.399 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000358579396 465203635 /nfs/dbraw/zinc/20/36/35/465203635.db2.gz KYTBPHNQIROGHS-CQSZACIVSA-N 1 0 334.420 2.434 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C(C)C)C2COC2)c([N+](=O)[O-])c1 ZINC000298347986 465370638 /nfs/dbraw/zinc/37/06/38/465370638.db2.gz MJXJBYBCSXNWDQ-UHFFFAOYSA-N 1 0 337.376 2.041 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000116302026 462751951 /nfs/dbraw/zinc/75/19/51/462751951.db2.gz ZRBGEJQOYSMOMF-SFHVURJKSA-N 1 0 342.395 2.435 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000047272573 462762910 /nfs/dbraw/zinc/76/29/10/462762910.db2.gz NVPDYMRRQOYHOS-ZIAGYGMSSA-N 1 0 339.417 2.037 20 5 EEBDRO Cc1c(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000075986971 462781106 /nfs/dbraw/zinc/78/11/06/462781106.db2.gz DWWUSYALGSJQEX-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1cccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000047432869 462782859 /nfs/dbraw/zinc/78/28/59/462782859.db2.gz SLCVHLWKGPJBSY-OKILXGFUSA-N 1 0 335.404 2.132 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)cc1 ZINC000090538937 462796279 /nfs/dbraw/zinc/79/62/79/462796279.db2.gz JNSTXPZZVFYOHO-CYBMUJFWSA-N 1 0 326.360 2.328 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000065867882 462835145 /nfs/dbraw/zinc/83/51/45/462835145.db2.gz UKJMALMRLYYNPW-RDJZCZTQSA-N 1 0 342.399 2.293 20 5 EEBDRO CC[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066043169 462847274 /nfs/dbraw/zinc/84/72/74/462847274.db2.gz MLVIDIGMXMFABW-UHFFFAOYSA-N 1 0 330.388 2.150 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000119419134 462899449 /nfs/dbraw/zinc/89/94/49/462899449.db2.gz QFWDQOXVTOXGIH-CQSZACIVSA-N 1 0 348.447 2.369 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000066816533 462933473 /nfs/dbraw/zinc/93/34/73/462933473.db2.gz CORKYKHLHGDBKI-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO COc1cc(C[NH2+]CCNc2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000133506881 462940236 /nfs/dbraw/zinc/94/02/36/462940236.db2.gz REZJXEMJOINHAG-UHFFFAOYSA-N 1 0 332.360 2.214 20 5 EEBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000568382244 468327497 /nfs/dbraw/zinc/32/74/97/468327497.db2.gz UNKZSTJAVZSVMA-HIFRSBDPSA-N 1 0 326.418 2.210 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000120012522 462952150 /nfs/dbraw/zinc/95/21/50/462952150.db2.gz HSGNZGZZTHZUFS-OCCSQVGLSA-N 1 0 329.356 2.438 20 5 EEBDRO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641138 462967515 /nfs/dbraw/zinc/96/75/15/462967515.db2.gz LBXGNRVZSUAZLZ-MRXNPFEDSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641139 462967753 /nfs/dbraw/zinc/96/77/53/462967753.db2.gz LBXGNRVZSUAZLZ-INIZCTEOSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120176301 462969739 /nfs/dbraw/zinc/96/97/39/462969739.db2.gz XLGGPVWMGGANPO-CQSZACIVSA-N 1 0 329.360 2.484 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000067142439 462969848 /nfs/dbraw/zinc/96/98/48/462969848.db2.gz DDCOCLMCAHBNRY-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068134452 463097132 /nfs/dbraw/zinc/09/71/32/463097132.db2.gz YYESJHKWXSWWAN-AWEZNQCLSA-N 1 0 332.404 2.268 20 5 EEBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000052991455 463125012 /nfs/dbraw/zinc/12/50/12/463125012.db2.gz OLVOQGDTBISKSD-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078617542 463134639 /nfs/dbraw/zinc/13/46/39/463134639.db2.gz RMCFEVAWZFCDEH-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000078629666 463136184 /nfs/dbraw/zinc/13/61/84/463136184.db2.gz AJSLCITZGFWWBJ-INIZCTEOSA-N 1 0 342.399 2.129 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000157700574 463160722 /nfs/dbraw/zinc/16/07/22/463160722.db2.gz XHJMUZIZWSUDCK-DOMZBBRYSA-N 1 0 332.404 2.052 20 5 EEBDRO CNC(=O)c1ccc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000053552993 463173657 /nfs/dbraw/zinc/17/36/57/463173657.db2.gz DJPDNVBZAPAHOX-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO CC(C)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000027110447 463181011 /nfs/dbraw/zinc/18/10/11/463181011.db2.gz YCKKVHFSEQXAHQ-UHFFFAOYSA-N 1 0 335.360 2.382 20 5 EEBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000141838407 463356911 /nfs/dbraw/zinc/35/69/11/463356911.db2.gz LHYMXUNTWWDPCN-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038738 463403967 /nfs/dbraw/zinc/40/39/67/463403967.db2.gz UWEHEOIJUTUSKZ-UHFFFAOYSA-N 1 0 339.311 2.193 20 5 EEBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071928319 463477329 /nfs/dbraw/zinc/47/73/29/463477329.db2.gz MJYXEPIJNWYEMC-DZGCQCFKSA-N 1 0 325.368 2.376 20 5 EEBDRO Cc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000071952042 463478603 /nfs/dbraw/zinc/47/86/03/463478603.db2.gz RIQADKRXXQJZPE-UHFFFAOYSA-N 1 0 346.431 2.038 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000125383709 463538759 /nfs/dbraw/zinc/53/87/59/463538759.db2.gz JIMXEZJVSTYQGY-LBPRGKRZSA-N 1 0 343.449 2.158 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000058263241 463561681 /nfs/dbraw/zinc/56/16/81/463561681.db2.gz XNJBQRZBLFSURU-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000163174971 463569126 /nfs/dbraw/zinc/56/91/26/463569126.db2.gz AHZBXQRLEYUASN-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073664532 463640203 /nfs/dbraw/zinc/64/02/03/463640203.db2.gz JPVXLANFVPGQOR-AWEZNQCLSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170713104 463698736 /nfs/dbraw/zinc/69/87/36/463698736.db2.gz DAHQWHLJYLVXQQ-CJNGLKHVSA-N 1 0 332.404 2.092 20 5 EEBDRO COc1ccc(CN(CC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000112351090 463699535 /nfs/dbraw/zinc/69/95/35/463699535.db2.gz GDNUJHPDCPRAQD-UHFFFAOYSA-N 1 0 329.356 2.091 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170774774 463704287 /nfs/dbraw/zinc/70/42/87/463704287.db2.gz IHBQSNVGNYCSKW-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000286843549 463721996 /nfs/dbraw/zinc/72/19/96/463721996.db2.gz LXLCGONEORQZTE-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO Cn1cc(C[NH2+]CCN2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171049092 463768532 /nfs/dbraw/zinc/76/85/32/463768532.db2.gz ZMPAVOOYCDNIPX-UHFFFAOYSA-N 1 0 329.404 2.181 20 5 EEBDRO CC1(C)CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178001437 463827177 /nfs/dbraw/zinc/82/71/77/463827177.db2.gz HVRLHEFNXMOSTE-AWEZNQCLSA-N 1 0 341.433 2.041 20 5 EEBDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016470 463844494 /nfs/dbraw/zinc/84/44/94/463844494.db2.gz QMMZVXVQKHUVIN-ZBFHGGJFSA-N 1 0 333.388 2.031 20 5 EEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277055256 463858194 /nfs/dbraw/zinc/85/81/94/463858194.db2.gz HJAXIRIOZHDIKF-LBPRGKRZSA-N 1 0 339.415 2.002 20 5 EEBDRO Cc1ccc(NCCCNC(=O)CC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261886496 463888657 /nfs/dbraw/zinc/88/86/57/463888657.db2.gz VGQAPRJJXORVPB-AWEZNQCLSA-N 1 0 334.420 2.211 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261966977 463914147 /nfs/dbraw/zinc/91/41/47/463914147.db2.gz MVYDCOVLVAVWBL-VWYCJHECSA-N 1 0 341.795 2.211 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000568770086 468386218 /nfs/dbraw/zinc/38/62/18/468386218.db2.gz OXRJGWAESHIFCL-RYUDHWBXSA-N 1 0 331.372 2.169 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262130165 463954587 /nfs/dbraw/zinc/95/45/87/463954587.db2.gz CYADBKFHWJTZJM-DLBZAZTESA-N 1 0 325.368 2.091 20 5 EEBDRO Nc1c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cccc1[N+](=O)[O-] ZINC000262159032 463961435 /nfs/dbraw/zinc/96/14/35/463961435.db2.gz ZRDNXBVWKBTLBY-UHFFFAOYSA-N 1 0 347.400 2.353 20 5 EEBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000178769875 463968199 /nfs/dbraw/zinc/96/81/99/463968199.db2.gz CMFKDRZHSKIFAT-JTQLQIEISA-N 1 0 327.768 2.155 20 5 EEBDRO CC(C)c1[nH]nc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000269453715 463989059 /nfs/dbraw/zinc/98/90/59/463989059.db2.gz GUZAZZGGJBZTFY-UHFFFAOYSA-N 1 0 332.364 2.150 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000178960919 464026792 /nfs/dbraw/zinc/02/67/92/464026792.db2.gz VETCSIGNHJUVRK-AWEZNQCLSA-N 1 0 341.433 2.089 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000263283904 464077462 /nfs/dbraw/zinc/07/74/62/464077462.db2.gz USGRSVRVFNCHCQ-CZUORRHYSA-N 1 0 335.360 2.228 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000269760141 464084999 /nfs/dbraw/zinc/08/49/99/464084999.db2.gz APJXJFHMBCHORS-QGZVFWFLSA-N 1 0 333.388 2.257 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172790172 464143670 /nfs/dbraw/zinc/14/36/70/464143670.db2.gz OJOPQLJIYYHRJE-GFCCVEGCSA-N 1 0 332.404 2.258 20 5 EEBDRO C[C@H]1OCC[C@@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279837496 464153905 /nfs/dbraw/zinc/15/39/05/464153905.db2.gz RJSOVQRVBYCMBY-CKEIUWERSA-N 1 0 336.388 2.242 20 5 EEBDRO C[C@H]1OCC[C@@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280615668 464222854 /nfs/dbraw/zinc/22/28/54/464222854.db2.gz XYCDFHJHMMWBLQ-RHSMWYFYSA-N 1 0 336.388 2.244 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263949447 464250244 /nfs/dbraw/zinc/25/02/44/464250244.db2.gz NESPBJLCPSSUJT-UHFFFAOYSA-N 1 0 345.403 2.233 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000271459013 464318590 /nfs/dbraw/zinc/31/85/90/464318590.db2.gz FSWCTUJWOJNXNS-WFASDCNBSA-N 1 0 326.418 2.207 20 5 EEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000292722913 464320479 /nfs/dbraw/zinc/32/04/79/464320479.db2.gz FWRVNRNIOXDYSA-UHFFFAOYSA-N 1 0 341.433 2.139 20 5 EEBDRO CC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174071414 464357629 /nfs/dbraw/zinc/35/76/29/464357629.db2.gz PKJZYTVMTQDQRL-AWEZNQCLSA-N 1 0 327.812 2.137 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180647869 464358998 /nfs/dbraw/zinc/35/89/98/464358998.db2.gz VFDJEPYWCJWZPN-UHFFFAOYSA-N 1 0 344.318 2.366 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1S(N)(=O)=O ZINC000292872448 464371590 /nfs/dbraw/zinc/37/15/90/464371590.db2.gz XGDAGNIYAZKQMC-GFCCVEGCSA-N 1 0 349.412 2.435 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237833539 464386558 /nfs/dbraw/zinc/38/65/58/464386558.db2.gz JCBLBRNYIBSFEA-CZUORRHYSA-N 1 0 346.431 2.442 20 5 EEBDRO [NH3+]C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237854402 464390663 /nfs/dbraw/zinc/39/06/63/464390663.db2.gz IIGYZCGLBDMQBJ-UHFFFAOYSA-N 1 0 332.385 2.282 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000238058101 464425885 /nfs/dbraw/zinc/42/58/85/464425885.db2.gz MBDFYRUTDYAZMQ-OAHLLOKOSA-N 1 0 334.420 2.421 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862530 464459707 /nfs/dbraw/zinc/45/97/07/464459707.db2.gz YFKFNUYMWVZWCP-HZPDHXFCSA-N 1 0 335.452 2.378 20 5 EEBDRO O=C(NC1CC1)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264952868 464504579 /nfs/dbraw/zinc/50/45/79/464504579.db2.gz LJQMJPXLEZNOLC-UHFFFAOYSA-N 1 0 344.415 2.162 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294519625 464524397 /nfs/dbraw/zinc/52/43/97/464524397.db2.gz GPTRFRSEJPNGHA-UHFFFAOYSA-N 1 0 343.387 2.153 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272226273 464525840 /nfs/dbraw/zinc/52/58/40/464525840.db2.gz CWXXDBQLIIYURN-RISCZKNCSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381613 464544118 /nfs/dbraw/zinc/54/41/18/464544118.db2.gz ABLJQNQLLZQLBU-WFASDCNBSA-N 1 0 335.404 2.209 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294701603 464580173 /nfs/dbraw/zinc/58/01/73/464580173.db2.gz VHMAACDQSVFPTI-SNVBAGLBSA-N 1 0 327.356 2.203 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000281995983 464662216 /nfs/dbraw/zinc/66/22/16/464662216.db2.gz PXTSNEKEDAORTN-CQSZACIVSA-N 1 0 346.431 2.396 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(N3CCc4ccccc43)CC2)n1 ZINC000282189461 464727959 /nfs/dbraw/zinc/72/79/59/464727959.db2.gz WLNZZVDUMKHWCO-UHFFFAOYSA-N 1 0 341.415 2.318 20 5 EEBDRO COCCOCCOCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000276253110 464865545 /nfs/dbraw/zinc/86/55/45/464865545.db2.gz NRYFJNOFGLWETC-CQSZACIVSA-N 1 0 326.393 2.267 20 5 EEBDRO C[N@H+](CCOCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000282585132 464876106 /nfs/dbraw/zinc/87/61/06/464876106.db2.gz VFONDQSPKPOPEE-UHFFFAOYSA-N 1 0 327.380 2.387 20 5 EEBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249789766 464916558 /nfs/dbraw/zinc/91/65/58/464916558.db2.gz FAXMJFOJDNLEIS-BLLLJJGKSA-N 1 0 330.388 2.198 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286492659 464938185 /nfs/dbraw/zinc/93/81/85/464938185.db2.gz LXBVJAYZMWGCTE-DGCLKSJQSA-N 1 0 327.768 2.032 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593913250 468430641 /nfs/dbraw/zinc/43/06/41/468430641.db2.gz UPOAIVCPEZGKOX-SQWLQELKSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000342924514 465390793 /nfs/dbraw/zinc/39/07/93/465390793.db2.gz FIALSZYYIDXIGX-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348201574 465487756 /nfs/dbraw/zinc/48/77/56/465487756.db2.gz QAMDVQBHBMVTSC-MRXNPFEDSA-N 1 0 333.388 2.059 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)o1 ZINC000337716749 465536750 /nfs/dbraw/zinc/53/67/50/465536750.db2.gz LMIIKTZBIMDYSU-AWEZNQCLSA-N 1 0 346.387 2.402 20 5 EEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000348322658 465550931 /nfs/dbraw/zinc/55/09/31/465550931.db2.gz OFPLYYMQIVEWCW-GHMZBOCLSA-N 1 0 347.375 2.015 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1C ZINC000299325572 465698551 /nfs/dbraw/zinc/69/85/51/465698551.db2.gz PNLFYVDNQSDVPL-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000366428929 465722078 /nfs/dbraw/zinc/72/20/78/465722078.db2.gz MHZUKEBJLNWJDU-HYVNUMGLSA-N 1 0 347.415 2.227 20 5 EEBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000361076428 465749454 /nfs/dbraw/zinc/74/94/54/465749454.db2.gz PKMUKVFGRRYKEL-UHFFFAOYSA-N 1 0 346.387 2.136 20 5 EEBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361211584 465840433 /nfs/dbraw/zinc/84/04/33/465840433.db2.gz IROOGGPHFCLTBX-LBPRGKRZSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000330979768 465883437 /nfs/dbraw/zinc/88/34/37/465883437.db2.gz NHXZCMAKDDXSBI-OAHLLOKOSA-N 1 0 334.420 2.114 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000331053934 465915687 /nfs/dbraw/zinc/91/56/87/465915687.db2.gz ZZEFTTLPEOCHSU-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301279690 465935675 /nfs/dbraw/zinc/93/56/75/465935675.db2.gz NMCZZLLTLAPYGP-LLVKDONJSA-N 1 0 327.816 2.081 20 5 EEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000331166831 465964033 /nfs/dbraw/zinc/96/40/33/465964033.db2.gz STGFCQHUDCJTSK-OAHLLOKOSA-N 1 0 335.404 2.324 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000346181170 465968456 /nfs/dbraw/zinc/96/84/56/465968456.db2.gz HWKFJEBLHJHXMT-GDZNZVCISA-N 1 0 347.415 2.406 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209454 465993660 /nfs/dbraw/zinc/99/36/60/465993660.db2.gz XSJJYTNSIDSMSW-GRDNDAEWSA-N 1 0 346.431 2.195 20 5 EEBDRO CNc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346216386 465999803 /nfs/dbraw/zinc/99/98/03/465999803.db2.gz INJDWGMKRACHCX-DVOMOZLQSA-N 1 0 346.431 2.439 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230211 466010766 /nfs/dbraw/zinc/01/07/66/466010766.db2.gz MEUSEROJOBDWHB-GDZNZVCISA-N 1 0 349.406 2.465 20 5 EEBDRO CC(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301731846 466020193 /nfs/dbraw/zinc/02/01/93/466020193.db2.gz SSYOKNXAPLZIMU-HNNXBMFYSA-N 1 0 333.388 2.463 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254450 466031905 /nfs/dbraw/zinc/03/19/05/466031905.db2.gz BCMSXTKTJTXOCT-GRDNDAEWSA-N 1 0 331.416 2.326 20 5 EEBDRO COc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263800 466040381 /nfs/dbraw/zinc/04/03/81/466040381.db2.gz NJTQBVOSMVUXKI-DVOMOZLQSA-N 1 0 347.415 2.406 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000591446282 468471720 /nfs/dbraw/zinc/47/17/20/468471720.db2.gz YVGAETALLGFROI-KDOFPFPSSA-N 1 0 346.431 2.286 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340492039 466126760 /nfs/dbraw/zinc/12/67/60/466126760.db2.gz KXPZBPUFOFSGHN-GFCCVEGCSA-N 1 0 343.387 2.243 20 5 EEBDRO CCOc1cc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302534322 466151153 /nfs/dbraw/zinc/15/11/53/466151153.db2.gz MDBIEJVPERQPRA-CYBMUJFWSA-N 1 0 337.420 2.275 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000372087736 466154872 /nfs/dbraw/zinc/15/48/72/466154872.db2.gz GDJQJUHEGHIFBJ-CQSZACIVSA-N 1 0 347.415 2.232 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000302642664 466161038 /nfs/dbraw/zinc/16/10/38/466161038.db2.gz LNBMRCDDEOYJOM-NSHDSACASA-N 1 0 343.449 2.387 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000338539652 466207975 /nfs/dbraw/zinc/20/79/75/466207975.db2.gz HWCLSUWRCFTGPD-UHFFFAOYSA-N 1 0 333.388 2.375 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(C(F)F)CC2)c1 ZINC000361701024 466216723 /nfs/dbraw/zinc/21/67/23/466216723.db2.gz ZVTRFDKIFVKSPM-CYBMUJFWSA-N 1 0 330.331 2.312 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000331764368 466236648 /nfs/dbraw/zinc/23/66/48/466236648.db2.gz CUYPQIHKAJVMPI-XQQFMLRXSA-N 1 0 349.435 2.358 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000304273427 466273853 /nfs/dbraw/zinc/27/38/53/466273853.db2.gz CFOFSMCPBZKOGI-FHLIZLRMSA-N 1 0 344.415 2.278 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000331879411 466287501 /nfs/dbraw/zinc/28/75/01/466287501.db2.gz IGNQWLHVMKOKBE-KBPBESRZSA-N 1 0 333.388 2.094 20 5 EEBDRO COC(=O)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000569382192 468483825 /nfs/dbraw/zinc/48/38/25/468483825.db2.gz XFOJPEJHGORLRY-UHFFFAOYSA-N 1 0 329.356 2.451 20 5 EEBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@]1(CO)CCOC1 ZINC000600178242 468486446 /nfs/dbraw/zinc/48/64/46/468486446.db2.gz ITNDIPVNPVMXBG-KRWDZBQOSA-N 1 0 332.356 2.438 20 5 EEBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000597236098 468491184 /nfs/dbraw/zinc/49/11/84/468491184.db2.gz NVVPODRXNDQJNA-UGSOOPFHSA-N 1 0 344.415 2.446 20 5 EEBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332249907 466470958 /nfs/dbraw/zinc/47/09/58/466470958.db2.gz LOGMTGOBHYWOSZ-ZDUSSCGKSA-N 1 0 346.387 2.264 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000307827157 466496658 /nfs/dbraw/zinc/49/66/58/466496658.db2.gz WBDSIMYZMYDBDJ-VIFPVBQESA-N 1 0 325.674 2.258 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000332313133 466503161 /nfs/dbraw/zinc/50/31/61/466503161.db2.gz IGBBEQDZNFECHG-VXGBXAGGSA-N 1 0 328.372 2.356 20 5 EEBDRO COc1ccc(CC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591651665 468498391 /nfs/dbraw/zinc/49/83/91/468498391.db2.gz JLVQGOUXHBKRGR-CYBMUJFWSA-N 1 0 347.415 2.137 20 5 EEBDRO Cn1cc(C[NH+]2CC([C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368443149 466637131 /nfs/dbraw/zinc/63/71/31/466637131.db2.gz SCAXWTSDWGBWHJ-CQSZACIVSA-N 1 0 342.399 2.464 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000325411930 466658108 /nfs/dbraw/zinc/65/81/08/466658108.db2.gz UCOGXXARPSXCIT-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415437052 466679336 /nfs/dbraw/zinc/67/93/36/466679336.db2.gz KGTXNVSFDOHSCW-CHWSQXEVSA-N 1 0 348.403 2.457 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000373271001 466748625 /nfs/dbraw/zinc/74/86/25/466748625.db2.gz CARGCOOMGXEULQ-MRXNPFEDSA-N 1 0 330.388 2.032 20 5 EEBDRO CC1(C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000423706418 466809803 /nfs/dbraw/zinc/80/98/03/466809803.db2.gz JBZAEMICTMYHCR-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423718608 466812588 /nfs/dbraw/zinc/81/25/88/466812588.db2.gz LKUXANGUBYBQSA-UONOGXRCSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000373776132 466916974 /nfs/dbraw/zinc/91/69/74/466916974.db2.gz FQOJEVWHMFCFMQ-ZDUSSCGKSA-N 1 0 331.376 2.107 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000373816905 466929932 /nfs/dbraw/zinc/92/99/32/466929932.db2.gz WINDMQZXYWVUDF-RDJZCZTQSA-N 1 0 333.388 2.389 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417931268 466990176 /nfs/dbraw/zinc/99/01/76/466990176.db2.gz BWYJKTJPNSUITC-JKSUJKDBSA-N 1 0 346.431 2.168 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418347429 467096026 /nfs/dbraw/zinc/09/60/26/467096026.db2.gz VLYUHQZNFLBYDL-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418350331 467096440 /nfs/dbraw/zinc/09/64/40/467096440.db2.gz SRMZRMAMWKEJSS-CQSZACIVSA-N 1 0 332.404 2.268 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418378669 467101753 /nfs/dbraw/zinc/10/17/53/467101753.db2.gz ANRXSPLFYQKLPM-ZBFHGGJFSA-N 1 0 334.420 2.467 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000413053557 467161695 /nfs/dbraw/zinc/16/16/95/467161695.db2.gz KBZWPFNQNDYSQI-OAHLLOKOSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1C ZINC000413124911 467174556 /nfs/dbraw/zinc/17/45/56/467174556.db2.gz DTRPMUFVYKJCBR-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000413309093 467212360 /nfs/dbraw/zinc/21/23/60/467212360.db2.gz AZLOTRXXDQEGNH-GASCZTMLSA-N 1 0 328.372 2.418 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451080221 467242104 /nfs/dbraw/zinc/24/21/04/467242104.db2.gz BBNVEGUESJMCEW-CYBMUJFWSA-N 1 0 346.431 2.258 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000433006861 467283360 /nfs/dbraw/zinc/28/33/60/467283360.db2.gz IYBVWGNFILZBOU-MBNYWOFBSA-N 1 0 349.387 2.243 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452091035 467318781 /nfs/dbraw/zinc/31/87/81/467318781.db2.gz AMGRZRWIIGSBPW-CYBMUJFWSA-N 1 0 341.433 2.006 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376278 467383995 /nfs/dbraw/zinc/38/39/95/467383995.db2.gz UXWUKNGVYVEQCK-FCHSOHFDSA-N 1 0 340.811 2.163 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420621590 467435849 /nfs/dbraw/zinc/43/58/49/467435849.db2.gz BYKMBUINLOIMPC-UHFFFAOYSA-N 1 0 346.387 2.245 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414941432 467454526 /nfs/dbraw/zinc/45/45/26/467454526.db2.gz CLWAMKUTHKFZOO-DTWKUNHWSA-N 1 0 344.318 2.397 20 5 EEBDRO COc1cc(CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435378569 467465052 /nfs/dbraw/zinc/46/50/52/467465052.db2.gz FELLTXPAFAGQBE-JTQLQIEISA-N 1 0 349.309 2.078 20 5 EEBDRO COc1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])cc1F ZINC000421035908 467530752 /nfs/dbraw/zinc/53/07/52/467530752.db2.gz PPMBREREKZRTIG-LLVKDONJSA-N 1 0 342.367 2.416 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448964280 467608607 /nfs/dbraw/zinc/60/86/07/467608607.db2.gz ZMYVJQMJLGMEFS-UHFFFAOYSA-N 1 0 327.356 2.204 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000449144675 467620645 /nfs/dbraw/zinc/62/06/45/467620645.db2.gz JNENLGHOFPKMIS-CMPLNLGQSA-N 1 0 345.321 2.279 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449243819 467625744 /nfs/dbraw/zinc/62/57/44/467625744.db2.gz NPQGOKPOFWWRDN-LJQANCHMSA-N 1 0 339.395 2.185 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449715843 467698203 /nfs/dbraw/zinc/69/82/03/467698203.db2.gz JWKUNIGSEGQLTL-SCZZXKLOSA-N 1 0 331.294 2.471 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458209437 467789528 /nfs/dbraw/zinc/78/95/28/467789528.db2.gz OOBHWAUNTUUYMU-CQSZACIVSA-N 1 0 347.415 2.406 20 5 EEBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000479109989 467998603 /nfs/dbraw/zinc/99/86/03/467998603.db2.gz WWASFMYZUFXEPJ-UHFFFAOYSA-N 1 0 335.408 2.142 20 5 EEBDRO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)C1 ZINC000517016705 468065250 /nfs/dbraw/zinc/06/52/50/468065250.db2.gz GOGARZLZWSRYBF-GXTWGEPZSA-N 1 0 343.387 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COCc2ccccc2F)c1 ZINC000518168270 468107905 /nfs/dbraw/zinc/10/79/05/468107905.db2.gz BSVJQAYGIHULRL-KRWDZBQOSA-N 1 0 348.374 2.444 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000567674315 468180593 /nfs/dbraw/zinc/18/05/93/468180593.db2.gz ILQSRNVABBJUDM-AVGNSLFASA-N 1 0 335.404 2.439 20 5 EEBDRO O=C(NC1CC1)c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000549852958 468199375 /nfs/dbraw/zinc/19/93/75/468199375.db2.gz JFXUSCUDDAAINK-GFCCVEGCSA-N 1 0 344.415 2.383 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2F)c1 ZINC000550085215 468206247 /nfs/dbraw/zinc/20/62/47/468206247.db2.gz IEHMSVUBTHCGKP-HNNXBMFYSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000490736632 468243730 /nfs/dbraw/zinc/24/37/30/468243730.db2.gz XZMXDYOBIQYZLH-ZMWOBVFASA-N 1 0 347.415 2.224 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195984 468508424 /nfs/dbraw/zinc/50/84/24/468508424.db2.gz JTRNOKDAVUBLOI-CABCVRRESA-N 1 0 343.387 2.218 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591749470 468514141 /nfs/dbraw/zinc/51/41/41/468514141.db2.gz QZCNMBQALHBOOH-ZFWWWQNUSA-N 1 0 331.372 2.123 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000569998485 468575082 /nfs/dbraw/zinc/57/50/82/468575082.db2.gz HDLXOQGZYDBRKA-AWEZNQCLSA-N 1 0 335.404 2.129 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597717088 468650023 /nfs/dbraw/zinc/65/00/23/468650023.db2.gz YIAZOMUPEDVIDI-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO CC[C@H](CCc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600762505 468650738 /nfs/dbraw/zinc/65/07/38/468650738.db2.gz MPBYALGMVWSYOM-WBVHZDCISA-N 1 0 332.404 2.153 20 5 EEBDRO COC(=O)c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc([N+](=O)[O-])c1 ZINC000600788522 468658173 /nfs/dbraw/zinc/65/81/73/468658173.db2.gz OAONDVATWVYASG-UHFFFAOYSA-N 1 0 341.367 2.458 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592379990 468686325 /nfs/dbraw/zinc/68/63/25/468686325.db2.gz GWNALFWYZOCGHV-JQWIXIFHSA-N 1 0 340.401 2.130 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000592477476 468706502 /nfs/dbraw/zinc/70/65/02/468706502.db2.gz XQXPLUUTUQFRJM-XHDPSFHLSA-N 1 0 335.404 2.081 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000601131401 468755311 /nfs/dbraw/zinc/75/53/11/468755311.db2.gz JPYACCBADOYKMY-CQSZACIVSA-N 1 0 328.372 2.054 20 5 EEBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571396420 468782352 /nfs/dbraw/zinc/78/23/52/468782352.db2.gz FPHRUNYMWCRIGE-RISCZKNCSA-N 1 0 349.387 2.333 20 5 EEBDRO CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000571503732 468796782 /nfs/dbraw/zinc/79/67/82/468796782.db2.gz OEVRAKRUMFLTIA-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598222053 468797856 /nfs/dbraw/zinc/79/78/56/468797856.db2.gz ZHONKAGBVZKJGR-GFCCVEGCSA-N 1 0 332.404 2.314 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598260299 468809047 /nfs/dbraw/zinc/80/90/47/468809047.db2.gz ADBNOLMKFOCUKV-GFCCVEGCSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1cccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598260777 468810394 /nfs/dbraw/zinc/81/03/94/468810394.db2.gz NTRMCIQERMIDBM-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO COC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000584385956 468858038 /nfs/dbraw/zinc/85/80/38/468858038.db2.gz PMGZXCHEUWJKAA-UHFFFAOYSA-N 1 0 334.420 2.461 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996867 468869702 /nfs/dbraw/zinc/86/97/02/468869702.db2.gz IXBBCDAEZQKYHP-RHSMWYFYSA-N 1 0 347.415 2.449 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598572723 468919005 /nfs/dbraw/zinc/91/90/05/468919005.db2.gz FYXIQNXIAYAKEY-HNNXBMFYSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000598613138 468932727 /nfs/dbraw/zinc/93/27/27/468932727.db2.gz GECIAFUXSRDABX-LBPRGKRZSA-N 1 0 343.449 2.219 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572570728 468950179 /nfs/dbraw/zinc/95/01/79/468950179.db2.gz ZSECFIWWNQEDCW-ZDUSSCGKSA-N 1 0 338.408 2.002 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695853 468958335 /nfs/dbraw/zinc/95/83/35/468958335.db2.gz IHMHTMINKWPRLJ-ZFWWWQNUSA-N 1 0 338.404 2.465 20 5 EEBDRO CC[N@H+](CCO)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602620421 468970157 /nfs/dbraw/zinc/97/01/57/468970157.db2.gz WSSUDZVKCCORDV-UHFFFAOYSA-N 1 0 335.326 2.017 20 5 EEBDRO Cc1cc(NCC[C@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593517657 469012943 /nfs/dbraw/zinc/01/29/43/469012943.db2.gz CWVIZRSQEJVFIM-QGZVFWFLSA-N 1 0 331.372 2.217 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000595804572 469020278 /nfs/dbraw/zinc/02/02/78/469020278.db2.gz ACOUPMYJQKLGRB-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](CO)C1 ZINC000602715067 469029238 /nfs/dbraw/zinc/02/92/38/469029238.db2.gz MAYMNIUCXFDVFL-OAHLLOKOSA-N 1 0 347.440 2.432 20 5 EEBDRO CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](CO)C1 ZINC000602715065 469029666 /nfs/dbraw/zinc/02/96/66/469029666.db2.gz MAYMNIUCXFDVFL-HNNXBMFYSA-N 1 0 347.440 2.432 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000610831926 469082676 /nfs/dbraw/zinc/08/26/76/469082676.db2.gz GUFMDEQLGTVEAR-MELADBBJSA-N 1 0 335.404 2.453 20 5 EEBDRO Cc1ncc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969434 469118291 /nfs/dbraw/zinc/11/82/91/469118291.db2.gz RBSHZDXGMRQFBT-GWCFXTLKSA-N 1 0 337.401 2.450 20 5 EEBDRO CCC(CC)[NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599098466 469119410 /nfs/dbraw/zinc/11/94/10/469119410.db2.gz VLNAPWPIRPMBGH-UHFFFAOYSA-N 1 0 329.422 2.188 20 5 EEBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596080831 469145266 /nfs/dbraw/zinc/14/52/66/469145266.db2.gz NORZEJBSQSFPMK-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596122715 469166047 /nfs/dbraw/zinc/16/60/47/469166047.db2.gz BLSWPAGTRYNNHR-UHFFFAOYSA-N 1 0 328.800 2.190 20 5 EEBDRO CC[N@H+](C[C@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205147 469191367 /nfs/dbraw/zinc/19/13/67/469191367.db2.gz JPINBAUHFJIUMO-CJNGLKHVSA-N 1 0 333.388 2.059 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000596251785 469221775 /nfs/dbraw/zinc/22/17/75/469221775.db2.gz YBZBTBKMJKNDBY-UHFFFAOYSA-N 1 0 344.415 2.472 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000615512458 469252448 /nfs/dbraw/zinc/25/24/48/469252448.db2.gz QSOXBKNWQXVUTO-UHFFFAOYSA-N 1 0 349.434 2.175 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084492 469255100 /nfs/dbraw/zinc/25/51/00/469255100.db2.gz QRHRPJYLAXUEIC-UHFFFAOYSA-N 1 0 326.356 2.342 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000611711354 469307077 /nfs/dbraw/zinc/30/70/77/469307077.db2.gz LATPJMCTXJBHDM-WBMJQRKESA-N 1 0 327.388 2.459 20 5 EEBDRO COc1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)cc1[N+](=O)[O-] ZINC000603205987 469309324 /nfs/dbraw/zinc/30/93/24/469309324.db2.gz MZGSUZQRPJSFHY-UHFFFAOYSA-N 1 0 345.403 2.272 20 5 EEBDRO CC[NH2+][C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602437325 469316099 /nfs/dbraw/zinc/31/60/99/469316099.db2.gz HQDAARKQFGOERG-VIFPVBQESA-N 1 0 348.325 2.140 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599671592 469333766 /nfs/dbraw/zinc/33/37/66/469333766.db2.gz ICBXXAPXSGOGKB-GYSYKLTISA-N 1 0 332.360 2.409 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C3CCCCC3)CC2)cn1 ZINC000602530814 469351735 /nfs/dbraw/zinc/35/17/35/469351735.db2.gz HJRAVVWBURHJRF-KRWDZBQOSA-N 1 0 348.447 2.489 20 5 EEBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000602540851 469354711 /nfs/dbraw/zinc/35/47/11/469354711.db2.gz WKNTXXRKHLJUFV-UHFFFAOYSA-N 1 0 347.463 2.423 20 5 EEBDRO C[C@H](O)CC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602549313 469357561 /nfs/dbraw/zinc/35/75/61/469357561.db2.gz AVYLVEQSVKHHFB-ZDUSSCGKSA-N 1 0 336.436 2.345 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000602578553 469369830 /nfs/dbraw/zinc/36/98/30/469369830.db2.gz YOYHVDPSVVQFFA-QMTHXVAHSA-N 1 0 347.337 2.422 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000619265536 469563910 /nfs/dbraw/zinc/56/39/10/469563910.db2.gz SXGFMZJAFKEYBU-NSHDSACASA-N 1 0 335.795 2.319 20 5 EEBDRO Cn1c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000610296720 470001155 /nfs/dbraw/zinc/00/11/55/470001155.db2.gz ITSJLVYPQYZHEG-OAHLLOKOSA-N 1 0 342.399 2.280 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638942444 470334430 /nfs/dbraw/zinc/33/44/30/470334430.db2.gz UVZZKPZCVVZBFH-KGLIPLIRSA-N 1 0 335.407 2.103 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC[NH2+]C1CC1 ZINC000648202774 471121902 /nfs/dbraw/zinc/12/19/02/471121902.db2.gz JXSVWNKLVVDBBQ-UHFFFAOYSA-N 1 0 349.434 2.413 20 5 EEBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000191720649 533829051 /nfs/dbraw/zinc/82/90/51/533829051.db2.gz IBEJPKNJNZTWNH-KOLCDFICSA-N 1 0 346.330 2.265 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000171694138 534066011 /nfs/dbraw/zinc/06/60/11/534066011.db2.gz YPMNRERZZNMHMX-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539771 534733166 /nfs/dbraw/zinc/73/31/66/534733166.db2.gz ZEQYDLMJZHFEPV-OHFALNGGSA-N 1 0 331.416 2.407 20 5 EEBDRO CC1([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183899951 528056767 /nfs/dbraw/zinc/05/67/67/528056767.db2.gz GCCUOMJYHUTZDT-AWEZNQCLSA-N 1 0 336.388 2.449 20 5 EEBDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178644021 528388658 /nfs/dbraw/zinc/38/86/58/528388658.db2.gz SXXGPKLLOKJPKC-CQSZACIVSA-N 1 0 348.447 2.236 20 5 EEBDRO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000131056007 528397553 /nfs/dbraw/zinc/39/75/53/528397553.db2.gz QMHRLLKWHDHCMH-INIZCTEOSA-N 1 0 349.431 2.476 20 5 EEBDRO CC(C)[C@@H](CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130408865 528436152 /nfs/dbraw/zinc/43/61/52/528436152.db2.gz UIHXRDBCKLPJGW-CYBMUJFWSA-N 1 0 327.356 2.059 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000130980294 529035032 /nfs/dbraw/zinc/03/50/32/529035032.db2.gz LMKZTUVPVLVAQM-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817581 529130442 /nfs/dbraw/zinc/13/04/42/529130442.db2.gz QCLKIATUZHSLPS-LSDHHAIUSA-N 1 0 348.447 2.106 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236855803 535172644 /nfs/dbraw/zinc/17/26/44/535172644.db2.gz AWAAMGSDPLXGPF-UHFFFAOYSA-N 1 0 334.401 2.448 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452059510 535744486 /nfs/dbraw/zinc/74/44/86/535744486.db2.gz ZNDKVKJEDJOUHE-SQWLQELKSA-N 1 0 338.404 2.272 20 5 EEBDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578663 535829240 /nfs/dbraw/zinc/82/92/40/535829240.db2.gz GIYQSQWXHLORFX-HUUCEWRRSA-N 1 0 332.408 2.361 20 5 EEBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000281003512 536296652 /nfs/dbraw/zinc/29/66/52/536296652.db2.gz DKZAVWXBDPPTFU-UHFFFAOYSA-N 1 0 343.330 2.410 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760341 536827507 /nfs/dbraw/zinc/82/75/07/536827507.db2.gz MHPZZEYFQRIMEY-HOTGVXAUSA-N 1 0 345.399 2.031 20 5 EEBDRO O=C1CN(C[N@@H+]2CCC[C@H]2C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000728559378 576506836 /nfs/dbraw/zinc/50/68/36/576506836.db2.gz FXPPAUXCYJPHDE-HNNXBMFYSA-N 1 0 344.371 2.195 20 5 EEBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804112 577231166 /nfs/dbraw/zinc/23/11/66/577231166.db2.gz QMLNSXLHDLQBFY-NOZJJQNGSA-N 1 0 341.795 2.326 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000774822287 577419455 /nfs/dbraw/zinc/41/94/55/577419455.db2.gz ZXPACQIOYZZQQQ-UHFFFAOYSA-N 1 0 343.343 2.220 20 5 EEBDRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550355 577439364 /nfs/dbraw/zinc/43/93/64/577439364.db2.gz ZWFSZRDJFOFVIM-CYBMUJFWSA-N 1 0 344.433 2.005 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582080 577463238 /nfs/dbraw/zinc/46/32/38/577463238.db2.gz PQNVPQGLBQWTBX-QGZVFWFLSA-N 1 0 346.383 2.131 20 5 EEBDRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776591628 577463633 /nfs/dbraw/zinc/46/36/33/577463633.db2.gz RCONUCWQFORDMP-UHFFFAOYSA-N 1 0 341.795 2.472 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000770135598 577590965 /nfs/dbraw/zinc/59/09/65/577590965.db2.gz VWJAGSLFOOMNJI-MNOVXSKESA-N 1 0 336.417 2.096 20 5 EEBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000758850710 577632367 /nfs/dbraw/zinc/63/23/67/577632367.db2.gz SGSGUIBEPAGHJZ-AWEZNQCLSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2nc3ccccn3c2[N+](=O)[O-])CCCO1 ZINC000763053821 577713578 /nfs/dbraw/zinc/71/35/78/577713578.db2.gz GCAHTZXTUBBUNS-ZDUSSCGKSA-N 1 0 333.392 2.155 20 5 EEBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000744439637 577897854 /nfs/dbraw/zinc/89/78/54/577897854.db2.gz BGDKBGORUQHQSH-CHWSQXEVSA-N 1 0 346.387 2.441 20 5 EEBDRO C[S@@](=O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000735084676 578133080 /nfs/dbraw/zinc/13/30/80/578133080.db2.gz OMUUKGLLENUIOU-OAQYLSRUSA-N 1 0 325.415 2.186 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823646934 607484910 /nfs/dbraw/zinc/48/49/10/607484910.db2.gz DHNZMIQRSFDVPI-UHFFFAOYSA-N 1 0 342.334 2.246 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821581852 606474175 /nfs/dbraw/zinc/47/41/75/606474175.db2.gz WFHDHMJNLGTKBL-MNOVXSKESA-N 1 0 331.380 2.060 20 5 EEBDRO COc1ccc(OCC[N@H+](C)Cc2cccc(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000933398527 676660590 /nfs/dbraw/zinc/66/05/90/676660590.db2.gz NRSOXJCJHGFABS-UHFFFAOYSA-N 1 0 333.344 2.215 20 5 EEBDRO CC1CC(NC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934041883 677767194 /nfs/dbraw/zinc/76/71/94/677767194.db2.gz LDNSZUKEXDENJN-UHFFFAOYSA-N 1 0 347.419 2.267 20 5 EEBDRO CC[C@@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934048267 677769082 /nfs/dbraw/zinc/76/90/82/677769082.db2.gz MWKCTLFBNBHHOH-GFCCVEGCSA-N 1 0 335.408 2.267 20 5 EEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121279702 677883563 /nfs/dbraw/zinc/88/35/63/677883563.db2.gz NZMASPJTLBYCQU-AWEZNQCLSA-N 1 0 345.403 2.011 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000892204463 678247354 /nfs/dbraw/zinc/24/73/54/678247354.db2.gz YYJCQFRVGXZGID-LBPRGKRZSA-N 1 0 346.387 2.107 20 5 EEBDRO C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000892302856 678661038 /nfs/dbraw/zinc/66/10/38/678661038.db2.gz CQXPSOKZOAONPH-LLVKDONJSA-N 1 0 330.388 2.341 20 5 EEBDRO CC[N@H+](CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000892663147 682137122 /nfs/dbraw/zinc/13/71/22/682137122.db2.gz SXUBOCAMGDHTPX-CYBMUJFWSA-N 1 0 334.420 2.482 20 5 EEBDRO C[C@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892674240 682295896 /nfs/dbraw/zinc/29/58/96/682295896.db2.gz UVYXMZBLMKFMFG-RYUDHWBXSA-N 1 0 330.388 2.341 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000983518431 682763751 /nfs/dbraw/zinc/76/37/51/682763751.db2.gz QKXAIPHCHFIYMZ-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCC[N@H+]1CCCO ZINC000894669426 683017799 /nfs/dbraw/zinc/01/77/99/683017799.db2.gz ZSWPRTZCHXIWGW-AWEZNQCLSA-N 1 0 327.812 2.185 20 5 EEBDRO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892902821 683181823 /nfs/dbraw/zinc/18/18/23/683181823.db2.gz UQXFDLKQZYEERJ-ZIAGYGMSSA-N 1 0 334.420 2.339 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1ccco1 ZINC001025655624 683221848 /nfs/dbraw/zinc/22/18/48/683221848.db2.gz MBJGHZBMHKUTPN-FOLVSLTJSA-N 1 0 327.340 2.048 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000895275226 684422272 /nfs/dbraw/zinc/42/22/72/684422272.db2.gz LOMFJTGQERARDJ-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000896979898 686022970 /nfs/dbraw/zinc/02/29/70/686022970.db2.gz RDTYGKYCZRHNCH-OAHLLOKOSA-N 1 0 347.415 2.195 20 5 EEBDRO C[N@@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964433 688717942 /nfs/dbraw/zinc/71/79/42/688717942.db2.gz ICVGXMXPWOTJHC-HUUCEWRRSA-N 1 0 337.445 2.084 20 5 EEBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000991055841 694473151 /nfs/dbraw/zinc/47/31/51/694473151.db2.gz MGWBHMJAAIRITH-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000898392827 693298890 /nfs/dbraw/zinc/29/88/90/693298890.db2.gz MPAZUNOEDRWEQG-RDTXWAMCSA-N 1 0 344.367 2.360 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898631221 693405576 /nfs/dbraw/zinc/40/55/76/693405576.db2.gz RKTIEZKYCPHNIL-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867403 1189943444 /nfs/dbraw/zinc/94/34/44/1189943444.db2.gz NJGRLFFPZDROAO-ZDMBXUJBSA-N 1 0 327.768 2.200 20 5 EEBDRO CONC(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000872649471 1198303287 /nfs/dbraw/zinc/30/32/87/1198303287.db2.gz AVXSHWSXSCKDDS-UHFFFAOYSA-N 1 0 344.371 2.345 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877290680 1199896695 /nfs/dbraw/zinc/89/66/95/1199896695.db2.gz YMJWEYPXHYGKQW-ZFWWWQNUSA-N 1 0 330.388 2.136 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001133035886 1200338659 /nfs/dbraw/zinc/33/86/59/1200338659.db2.gz FKDHNBUMQUTUHZ-UHFFFAOYSA-N 1 0 341.339 2.454 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812338581 1200669497 /nfs/dbraw/zinc/66/94/97/1200669497.db2.gz PDJADSNCHQEGMH-KGLIPLIRSA-N 1 0 331.416 2.283 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000879962594 1201325336 /nfs/dbraw/zinc/32/53/36/1201325336.db2.gz UESCUNXROWFPLB-ZDUSSCGKSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866681111 1201578629 /nfs/dbraw/zinc/57/86/29/1201578629.db2.gz UNKVYWVGUZJZEF-MXWKQRLJSA-N 1 0 338.795 2.011 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@](C)([NH3+])C2)CC1 ZINC000868074164 1201738473 /nfs/dbraw/zinc/73/84/73/1201738473.db2.gz ZAXUBKLIHJQVOG-GOSISDBHSA-N 1 0 346.431 2.394 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000882113212 1201817807 /nfs/dbraw/zinc/81/78/07/1201817807.db2.gz HGDVEXWXQITCIH-UHFFFAOYSA-N 1 0 344.415 2.208 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2COC)C[C@@H]1C ZINC000131992180 1202075775 /nfs/dbraw/zinc/07/57/75/1202075775.db2.gz XVNFAJGRETXUQX-OKILXGFUSA-N 1 0 337.420 2.287 20 5 EEBDRO C[NH2+]CCOc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000884140093 1202241025 /nfs/dbraw/zinc/24/10/25/1202241025.db2.gz KFSJKOWGMNMSMV-UHFFFAOYSA-N 1 0 341.367 2.396 20 5 EEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000890065613 1204774688 /nfs/dbraw/zinc/77/46/88/1204774688.db2.gz KZDZRHZIPUHALY-MRXNPFEDSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924476423 1205982249 /nfs/dbraw/zinc/98/22/49/1205982249.db2.gz SYQVMOCAKJXXEG-DOMZBBRYSA-N 1 0 346.387 2.062 20 5 EEBDRO C[NH+](C)CC1(O)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000931480366 1207392453 /nfs/dbraw/zinc/39/24/53/1207392453.db2.gz VNVUWQJQAFXJNE-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933798435 1207844045 /nfs/dbraw/zinc/84/40/45/1207844045.db2.gz PGDZUYKYFDFRCH-JQFCIGGWSA-N 1 0 331.416 2.499 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155440336 1208327005 /nfs/dbraw/zinc/32/70/05/1208327005.db2.gz IEOASPIVWIHJEG-WFASDCNBSA-N 1 0 331.376 2.046 20 5 EEBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195161191 1211330219 /nfs/dbraw/zinc/33/02/19/1211330219.db2.gz OCBFFHYKPLNWDL-UHFFFAOYSA-N 1 0 334.420 2.419 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074966 1213598519 /nfs/dbraw/zinc/59/85/19/1213598519.db2.gz WDJKSNUTAHGBSF-HOCLYGCPSA-N 1 0 329.404 2.318 20 5 EEBDRO C[C@H]1CSC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000796393254 1217251595 /nfs/dbraw/zinc/25/15/95/1217251595.db2.gz HQLBGHKKCSCTPL-TVQRCGJNSA-N 1 0 327.381 2.404 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000420411187 1217549472 /nfs/dbraw/zinc/54/94/72/1217549472.db2.gz XKFSYGQFFMDSPY-KRWDZBQOSA-N 1 0 332.404 2.060 20 5 EEBDRO C[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595561 1234537297 /nfs/dbraw/zinc/53/72/97/1234537297.db2.gz IUFZEAUMURYQRY-ZETCQYMHSA-N 1 0 326.154 2.017 20 5 EEBDRO C[C@@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641243 1234597886 /nfs/dbraw/zinc/59/78/86/1234597886.db2.gz PZFVNJLTRMCRKW-SSDOTTSWSA-N 1 0 326.154 2.017 20 5 EEBDRO CN1CCC[C@H]1c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000900770968 1234789277 /nfs/dbraw/zinc/78/92/77/1234789277.db2.gz MFSVTYBPNCPNFB-INIZCTEOSA-N 1 0 341.371 2.288 20 5 EEBDRO C/C=C(\C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048753400 1238526450 /nfs/dbraw/zinc/52/64/50/1238526450.db2.gz JJZIWCWIJLWWGU-NVAVRXRDSA-N 1 0 329.400 2.451 20 5 EEBDRO Cc1nc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097053039 1243632303 /nfs/dbraw/zinc/63/23/03/1243632303.db2.gz HRZVXOPQJXRBRJ-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CCCN(CCNC(=O)C[NH+]1CCCC1)c1ccc(C)cc1[N+](=O)[O-] ZINC001101147321 1245450501 /nfs/dbraw/zinc/45/05/01/1245450501.db2.gz SIHWHNTUSNRQFB-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101367067 1245722695 /nfs/dbraw/zinc/72/26/95/1245722695.db2.gz BWUWUDVUGKNSCQ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579224 1278144178 /nfs/dbraw/zinc/14/41/78/1278144178.db2.gz HYKPGWXHPDYYHE-XJKSGUPXSA-N 1 0 348.447 2.471 20 5 EEBDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000850426140 1277221161 /nfs/dbraw/zinc/22/11/61/1277221161.db2.gz AGCNXYBCLFIFQA-LLVKDONJSA-N 1 0 337.376 2.485 20 5 EEBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850555353 1277265767 /nfs/dbraw/zinc/26/57/67/1277265767.db2.gz HGTSIYXNLOEMJJ-RYUDHWBXSA-N 1 0 334.420 2.475 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867143394 1283822743 /nfs/dbraw/zinc/82/27/43/1283822743.db2.gz AEBOGJOLNCZSNT-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO O=C(CCCF)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001202033920 1289901743 /nfs/dbraw/zinc/90/17/43/1289901743.db2.gz SFCHYODEXUEERN-UHFFFAOYSA-N 1 0 329.397 2.487 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854655170 1292909085 /nfs/dbraw/zinc/90/90/85/1292909085.db2.gz OJVQOFUQIBINNQ-MFKMUULPSA-N 1 0 327.331 2.238 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862551752 1295877698 /nfs/dbraw/zinc/87/76/98/1295877698.db2.gz PBPPTXBXVRIROJ-NSHDSACASA-N 1 0 334.203 2.058 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCCC[N+](C)(C)C)CC(=O)C1 ZINC001224618309 1300670422 /nfs/dbraw/zinc/67/04/22/1300670422.db2.gz DUHHMZGQIICSKU-OAHLLOKOSA-N 1 0 329.461 2.068 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504798 1301027793 /nfs/dbraw/zinc/02/77/93/1301027793.db2.gz CAOALRKAMLRJSP-LLVKDONJSA-N 1 0 345.193 2.457 20 5 EEBDRO CC(C)OCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226177400 1301287703 /nfs/dbraw/zinc/28/77/03/1301287703.db2.gz VXZCDEPZCUWOSI-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO CCCOCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226437944 1301412371 /nfs/dbraw/zinc/41/23/71/1301412371.db2.gz IWKKOWACVBUPPF-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CCC(CC)[NH2+]CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227309556 1301777221 /nfs/dbraw/zinc/77/72/21/1301777221.db2.gz KODRONQKRNXFQY-UHFFFAOYSA-N 1 0 348.407 2.049 20 5 EEBDRO CCCSc1nc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229791795 1302946450 /nfs/dbraw/zinc/94/64/50/1302946450.db2.gz MPAOVUIQZOAIKN-SNVBAGLBSA-N 1 0 340.405 2.066 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC001111811199 1303924681 /nfs/dbraw/zinc/92/46/81/1303924681.db2.gz MOKMEDIPWJSLBN-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1ccc(N(C)C2CCN(C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001115153614 1304746504 /nfs/dbraw/zinc/74/65/04/1304746504.db2.gz NWJHOKCROGBZBH-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190969 1305180717 /nfs/dbraw/zinc/18/07/17/1305180717.db2.gz VXOZUBXADAJTFH-CABCVRRESA-N 1 0 343.383 2.219 20 5 EEBDRO C[N@H+](CCCNC(=O)C1=COCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235465791 1305243893 /nfs/dbraw/zinc/24/38/93/1305243893.db2.gz ZMGSHHGDALGQEK-UHFFFAOYSA-N 1 0 333.388 2.227 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]([NH3+])CC(F)(F)C2)c1F ZINC001246596136 1310353290 /nfs/dbraw/zinc/35/32/90/1310353290.db2.gz ZJSLSACBZKJANK-VHSXEESVSA-N 1 0 347.337 2.342 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)[NH2+]C[C@@H]2C)c1F ZINC001246874583 1310456437 /nfs/dbraw/zinc/45/64/37/1310456437.db2.gz UCQDZMDEKOIGAM-SRVKXCTJSA-N 1 0 325.384 2.356 20 5 EEBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 ZINC001248457787 1310906620 /nfs/dbraw/zinc/90/66/20/1310906620.db2.gz YZTZRIXQQHXBII-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000830356328 1314534843 /nfs/dbraw/zinc/53/48/43/1314534843.db2.gz ZJSSTNVMXMGGGU-SJORKVTESA-N 1 0 334.347 2.481 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000834452094 1314839669 /nfs/dbraw/zinc/83/96/69/1314839669.db2.gz FQPUUEXPIVMQRM-CYBMUJFWSA-N 1 0 334.420 2.298 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839638280 1315224173 /nfs/dbraw/zinc/22/41/73/1315224173.db2.gz ZDJLMXNLPJIPJK-KZNAEPCWSA-N 1 0 328.368 2.436 20 5 EEBDRO CO[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1(C)C ZINC000840125421 1315302787 /nfs/dbraw/zinc/30/27/87/1315302787.db2.gz OYQQRCMANUYVIQ-CQSZACIVSA-N 1 0 333.392 2.352 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000840265680 1315339785 /nfs/dbraw/zinc/33/97/85/1315339785.db2.gz GPKBBBUEHVOJLW-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000841162625 1315493373 /nfs/dbraw/zinc/49/33/73/1315493373.db2.gz YEORYZKRZUOXMA-UHFFFAOYSA-N 1 0 343.181 2.311 20 5 EEBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000841855254 1315624707 /nfs/dbraw/zinc/62/47/07/1315624707.db2.gz IZMBATRFIIDGIU-MNOVXSKESA-N 1 0 340.811 2.436 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475790 1315712635 /nfs/dbraw/zinc/71/26/35/1315712635.db2.gz CMPAHUIEYBJGBP-GDLVEWKHSA-N 1 0 338.383 2.039 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000842615412 1315732723 /nfs/dbraw/zinc/73/27/23/1315732723.db2.gz MEXSFCQKCZWSDY-QWHCGFSZSA-N 1 0 347.371 2.351 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000842617874 1315734248 /nfs/dbraw/zinc/73/42/48/1315734248.db2.gz RIPLMOATPGBXEF-JSGCOSHPSA-N 1 0 347.371 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000843064761 1315833837 /nfs/dbraw/zinc/83/38/37/1315833837.db2.gz BSALSXAZTCOYKH-QAPCUYQASA-N 1 0 330.384 2.069 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000843094368 1315840371 /nfs/dbraw/zinc/84/03/71/1315840371.db2.gz JHVUIFKDBKQEGF-PKOBYXMFSA-N 1 0 344.411 2.438 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000843351771 1315897516 /nfs/dbraw/zinc/89/75/16/1315897516.db2.gz CTJZNBNJGYZEJP-OUAUKWLOSA-N 1 0 340.811 2.257 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843452048 1315917658 /nfs/dbraw/zinc/91/76/58/1315917658.db2.gz KQKUTDSQFSEJBX-CHWSQXEVSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843508020 1315925739 /nfs/dbraw/zinc/92/57/39/1315925739.db2.gz OXZMFHXIAPKQBG-RNFRBKRXSA-N 1 0 348.172 2.352 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001153015777 1316759853 /nfs/dbraw/zinc/75/98/53/1316759853.db2.gz QJWJLHHGOBRFSX-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CC(C)C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC001249319728 1317051852 /nfs/dbraw/zinc/05/18/52/1317051852.db2.gz XBJSDYYWMHSQEM-UHFFFAOYSA-N 1 0 335.339 2.456 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154513447 1317174328 /nfs/dbraw/zinc/17/43/28/1317174328.db2.gz IAILFAJHECUGOS-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001155032033 1317426605 /nfs/dbraw/zinc/42/66/05/1317426605.db2.gz WDKOWVJMVRQRMH-RYUDHWBXSA-N 1 0 336.392 2.214 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc2[nH]ccc21 ZINC001155384060 1317574409 /nfs/dbraw/zinc/57/44/09/1317574409.db2.gz NRNJNRJOPTWDAU-GFCCVEGCSA-N 1 0 345.403 2.432 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155478347 1317615032 /nfs/dbraw/zinc/61/50/32/1317615032.db2.gz SMFMRDXREODOQB-MRVPVSSYSA-N 1 0 347.202 2.477 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001155548536 1317647218 /nfs/dbraw/zinc/64/72/18/1317647218.db2.gz FYOLBRDQOHITGI-HIFRSBDPSA-N 1 0 342.355 2.292 20 5 EEBDRO CO[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001155705599 1317709955 /nfs/dbraw/zinc/70/99/55/1317709955.db2.gz IGDMXJTVYZESIX-MRXNPFEDSA-N 1 0 342.399 2.500 20 5 EEBDRO CC[N@H+]([C@@H](C)C(=O)OC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481465 1318083519 /nfs/dbraw/zinc/08/35/19/1318083519.db2.gz CGYWDLKCMNHNEM-ZDUSSCGKSA-N 1 0 335.404 2.447 20 5 EEBDRO CC[NH+](CC)CCN1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550964 1318118995 /nfs/dbraw/zinc/11/89/95/1318118995.db2.gz UENPSZDWXZCPJX-QGZVFWFLSA-N 1 0 348.491 2.485 20 5 EEBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254560533 1318120784 /nfs/dbraw/zinc/12/07/84/1318120784.db2.gz VCNVCCXIEYNPKU-HIFRSBDPSA-N 1 0 348.399 2.037 20 5 EEBDRO COC(=O)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577552 1318127588 /nfs/dbraw/zinc/12/75/88/1318127588.db2.gz FMQMVSSVSUGYHW-DOTOQJQBSA-N 1 0 341.367 2.351 20 5 EEBDRO COC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H](O)c1ccccc1 ZINC001254584755 1318132254 /nfs/dbraw/zinc/13/22/54/1318132254.db2.gz JPBUJQITNZQETR-NEWSRXKRSA-N 1 0 342.395 2.400 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1OC ZINC001254583922 1318133357 /nfs/dbraw/zinc/13/33/57/1318133357.db2.gz DZPCWHGWRRVIIO-AWEZNQCLSA-N 1 0 329.356 2.264 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001156831270 1318232638 /nfs/dbraw/zinc/23/26/38/1318232638.db2.gz SKHIZWIQQJELJZ-UHFFFAOYSA-N 1 0 336.355 2.089 20 5 EEBDRO [NH3+]CCc1ccn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC001156905803 1318277576 /nfs/dbraw/zinc/27/75/76/1318277576.db2.gz ZTHOYHOARIFVLG-UHFFFAOYSA-N 1 0 327.319 2.483 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157689108 1318797627 /nfs/dbraw/zinc/79/76/27/1318797627.db2.gz GQYXAYUOJNJEIY-IUCAKERBSA-N 1 0 346.218 2.470 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cc2ccccc2s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767105 1318845271 /nfs/dbraw/zinc/84/52/71/1318845271.db2.gz HNMXPPJECPYABZ-ZIAGYGMSSA-N 1 0 333.413 2.162 20 5 EEBDRO Cc1nc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001158172562 1319058885 /nfs/dbraw/zinc/05/88/85/1319058885.db2.gz IAXFKVOTTLSDNU-SHTZXODSSA-N 1 0 342.403 2.365 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC001158261938 1319123577 /nfs/dbraw/zinc/12/35/77/1319123577.db2.gz PSTRYUIPWJXTCZ-AWEZNQCLSA-N 1 0 341.415 2.145 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098172 1320070209 /nfs/dbraw/zinc/07/02/09/1320070209.db2.gz VSZUAJCJTBIAOA-IAGOWNOFSA-N 1 0 347.390 2.129 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001160469519 1320170704 /nfs/dbraw/zinc/17/07/04/1320170704.db2.gz WCTAUTNTXRAIAL-XYYAHUGASA-N 1 0 334.376 2.204 20 5 EEBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001161059536 1320371384 /nfs/dbraw/zinc/37/13/84/1320371384.db2.gz AFHLWHQLTVGZCP-UHFFFAOYSA-N 1 0 330.388 2.449 20 5 EEBDRO COc1nc(NCC2(c3cccnc3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001162037455 1320728847 /nfs/dbraw/zinc/72/88/47/1320728847.db2.gz YGFUTJZJSCLEDG-UHFFFAOYSA-N 1 0 343.387 2.127 20 5 EEBDRO COC(=O)c1cc(NC[C@@]2(F)CCCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001162587001 1320905531 /nfs/dbraw/zinc/90/55/31/1320905531.db2.gz MGSLCAMMVXWHKW-OAHLLOKOSA-N 1 0 325.340 2.275 20 5 EEBDRO Cc1nc(Cl)nc(N2Cc3ccccc3C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001162740861 1320946018 /nfs/dbraw/zinc/94/60/18/1320946018.db2.gz XAHHQLDLGUSOFG-LBPRGKRZSA-N 1 0 333.779 2.237 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)nn2)ccc1F ZINC001162803063 1320962504 /nfs/dbraw/zinc/96/25/04/1320962504.db2.gz PSFWHVZOALBAGJ-TYNCELHUSA-N 1 0 341.346 2.377 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163078831 1321029522 /nfs/dbraw/zinc/02/95/22/1321029522.db2.gz HKBZGQOVDLOGNX-GFCCVEGCSA-N 1 0 341.795 2.356 20 5 EEBDRO COCCC[NH+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165098256 1321455078 /nfs/dbraw/zinc/45/50/78/1321455078.db2.gz VZRFQKNENYXBCK-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO C[NH+]1C[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]2C1 ZINC001165148758 1321465471 /nfs/dbraw/zinc/46/54/71/1321465471.db2.gz KDGPOMOTJUIPHL-STQMWFEESA-N 1 0 325.372 2.050 20 5 EEBDRO [NH3+][C@H]1[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]12 ZINC001165385067 1321513295 /nfs/dbraw/zinc/51/32/95/1321513295.db2.gz LVGWWBIZCAWEAM-KEODLESXSA-N 1 0 331.763 2.099 20 5 EEBDRO C[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001306979069 1331505534 /nfs/dbraw/zinc/50/55/34/1331505534.db2.gz QBRRCVFBYCSZFI-LBPRGKRZSA-N 1 0 348.378 2.084 20 5 EEBDRO CC(C)[NH+](CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(C)C ZINC001609098287 1351842362 /nfs/dbraw/zinc/84/23/62/1351842362.db2.gz CERBLIPSCVZSIB-UHFFFAOYSA-N 1 0 333.396 2.306 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001609165986 1351873090 /nfs/dbraw/zinc/87/30/90/1351873090.db2.gz CSQLSSWFGLFZCT-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001326031959 1334017802 /nfs/dbraw/zinc/01/78/02/1334017802.db2.gz WQXAKDDWQXZNEL-QWHCGFSZSA-N 1 0 332.404 2.098 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001326075217 1334023625 /nfs/dbraw/zinc/02/36/25/1334023625.db2.gz JIBMLHFHZHKZGL-QMMMGPOBSA-N 1 0 332.307 2.316 20 5 EEBDRO Cn1c2ccccc2c(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1=O ZINC001333680346 1336104379 /nfs/dbraw/zinc/10/43/79/1336104379.db2.gz QFPIOAUDNXWMPD-UHFFFAOYSA-N 1 0 342.399 2.168 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001335837570 1336435204 /nfs/dbraw/zinc/43/52/04/1336435204.db2.gz CZAUAXKITCECJK-MUIFIZLQSA-N 1 0 329.400 2.441 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCCC3)[C@H](C)C2)n1 ZINC001336727691 1336586667 /nfs/dbraw/zinc/58/66/67/1336586667.db2.gz ZVSKMZBGQDBKHH-GFCCVEGCSA-N 1 0 348.403 2.230 20 5 EEBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CC[NH2+]C1 ZINC001337094199 1336643156 /nfs/dbraw/zinc/64/31/56/1336643156.db2.gz HHQZTGDBWFEPNZ-HNNXBMFYSA-N 1 0 349.434 2.365 20 5 EEBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001338059228 1336783521 /nfs/dbraw/zinc/78/35/21/1336783521.db2.gz XZCRAVAPDIUXQD-UHFFFAOYSA-N 1 0 348.407 2.294 20 5 EEBDRO Cc1ccc(N(C)CCNC(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001100155430 1338082509 /nfs/dbraw/zinc/08/25/09/1338082509.db2.gz KTHQTFFWRJRNLZ-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CCN(CCNC(=O)CC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001100545361 1338488085 /nfs/dbraw/zinc/48/80/85/1338488085.db2.gz XMOQXFZAGYXJIK-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001357204877 1338971421 /nfs/dbraw/zinc/97/14/21/1338971421.db2.gz QLCBMENWKHVXOE-GRDNDAEWSA-N 1 0 347.415 2.388 20 5 EEBDRO CC(C)(C[NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001357289674 1338976508 /nfs/dbraw/zinc/97/65/08/1338976508.db2.gz CALMIPDBOQZUTH-UHFFFAOYSA-N 1 0 335.404 2.340 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC001577228110 1344110678 /nfs/dbraw/zinc/11/06/78/1344110678.db2.gz XISHQKBMNKOCCN-UHFFFAOYSA-N 1 0 343.387 2.124 20 5 EEBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001580163254 1344482710 /nfs/dbraw/zinc/48/27/10/1344482710.db2.gz MJOWFGUNOHEETE-HUUCEWRRSA-N 1 0 330.388 2.169 20 5 EEBDRO O=C(CN1CCCC[C@@]12CCC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC001580548145 1344534187 /nfs/dbraw/zinc/53/41/87/1344534187.db2.gz RHDRLHWAYMPLEU-KRWDZBQOSA-N 1 0 332.404 2.141 20 5 EEBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001580815532 1344563036 /nfs/dbraw/zinc/56/30/36/1344563036.db2.gz KABMXPXDSWJUGN-GHMZBOCLSA-N 1 0 341.314 2.163 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC(OC2C[NH2+]C2)CC1 ZINC001580876813 1344567830 /nfs/dbraw/zinc/56/78/30/1344567830.db2.gz VYHACFNMULCUPH-UHFFFAOYSA-N 1 0 346.362 2.239 20 5 EEBDRO C[C@@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001591730402 1349536425 /nfs/dbraw/zinc/53/64/25/1349536425.db2.gz MGQJIPQNRGQWLR-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603893747 1350796521 /nfs/dbraw/zinc/79/65/21/1350796521.db2.gz AMVSXJJSFJGPIN-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO C[NH+](C)C1(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCCCC1 ZINC001604675657 1350982669 /nfs/dbraw/zinc/98/26/69/1350982669.db2.gz QFDTVGYTFQDFJZ-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO CC[N@H+](CCN1CCOCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920564 1368128104 /nfs/dbraw/zinc/12/81/04/1368128104.db2.gz KOFTTZVPZVHBNN-SFHVURJKSA-N 1 0 347.459 2.496 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000797422544 1371530693 /nfs/dbraw/zinc/53/06/93/1371530693.db2.gz PHACBTKDDQTKGS-GFCCVEGCSA-N 1 0 336.392 2.476 20 5 EEBDRO Cn1c2ccccc2c(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1=O ZINC001355264977 1373152409 /nfs/dbraw/zinc/15/24/09/1373152409.db2.gz OAIFQDXTOLAUSZ-UHFFFAOYSA-N 1 0 328.372 2.121 20 5 EEBDRO O=C(NC1(C[NH2+]Cc2ccsc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755350743 1407350606 /nfs/dbraw/zinc/35/06/06/1407350606.db2.gz FFVCTFUZEIGGTD-ZIAGYGMSSA-N 1 0 337.445 2.322 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001578340553 1403741837 /nfs/dbraw/zinc/74/18/37/1403741837.db2.gz RQASJCIMYCEPFT-GXTWGEPZSA-N 1 0 333.367 2.190 20 5 EEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc([N+](=O)[O-])n1)C2 ZINC001164809826 720086092 /nfs/dbraw/zinc/08/60/92/720086092.db2.gz KRMKFQCNWYBRDF-MAUKXSAKSA-N 1 0 346.431 2.175 20 5 EEBDRO COc1cc2ncnc(N(C)CC3CC[NH+](C)CC3)c2cc1[N+](=O)[O-] ZINC001165041361 721934071 /nfs/dbraw/zinc/93/40/71/721934071.db2.gz RWXSHTVXTGTINX-UHFFFAOYSA-N 1 0 345.403 2.325 20 5 EEBDRO [NH3+]Cc1cnc2c(ccn2-c2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001167308841 757869887 /nfs/dbraw/zinc/86/98/87/757869887.db2.gz ZZVMHTLRYNJGRS-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2cnc(Cl)cc2[N+](=O)[O-])COC1 ZINC001167367998 758156049 /nfs/dbraw/zinc/15/60/49/758156049.db2.gz HUMITWUUZHOWPG-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO CCCn1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001167448517 759514118 /nfs/dbraw/zinc/51/41/18/759514118.db2.gz CLWZSJMVCWUGBH-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000184309430 782812467 /nfs/dbraw/zinc/81/24/67/782812467.db2.gz PMIUGSXBEQCIIA-UHFFFAOYSA-N 1 0 328.372 2.039 20 5 EEBDRO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000894017171 780405633 /nfs/dbraw/zinc/40/56/33/780405633.db2.gz YPTRPSTZDMBODI-IIYDPXPESA-N 1 0 332.404 2.249 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894089857 780511930 /nfs/dbraw/zinc/51/19/30/780511930.db2.gz IHPGLRRLRHPCCQ-ZDUSSCGKSA-N 1 0 344.415 2.367 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000809769002 783339112 /nfs/dbraw/zinc/33/91/12/783339112.db2.gz ACBLROFBYKKVEI-LLVKDONJSA-N 1 0 332.809 2.163 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000906095225 783696595 /nfs/dbraw/zinc/69/65/95/783696595.db2.gz WAZPFWOBIFQNCI-RYUDHWBXSA-N 1 0 338.383 2.252 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000818339972 785246154 /nfs/dbraw/zinc/24/61/54/785246154.db2.gz GRQLYJRNLINUKA-VXGBXAGGSA-N 1 0 326.784 2.046 20 5 EEBDRO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000818532968 785274842 /nfs/dbraw/zinc/27/48/42/785274842.db2.gz XWHJLIUIITWIPH-UWVGGRQHSA-N 1 0 343.786 2.434 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000818968562 785363854 /nfs/dbraw/zinc/36/38/54/785363854.db2.gz UTBPCLKAENXCKB-INIZCTEOSA-N 1 0 335.404 2.057 20 5 EEBDRO CSC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000819107037 785405210 /nfs/dbraw/zinc/40/52/10/785405210.db2.gz CPBWYXIMJGMTGL-AWEZNQCLSA-N 1 0 326.418 2.130 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000820582071 785985509 /nfs/dbraw/zinc/98/55/09/785985509.db2.gz XCBIPEPOOKSNEY-MRXNPFEDSA-N 1 0 337.445 2.379 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107321320 786859228 /nfs/dbraw/zinc/85/92/28/786859228.db2.gz DHAARCXGBBXCNB-AATRIKPKSA-N 1 0 334.420 2.329 20 5 EEBDRO C[NH+](C)C1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000823871244 787969638 /nfs/dbraw/zinc/96/96/38/787969638.db2.gz FBGHBKIEIUUWFJ-INIZCTEOSA-N 1 0 349.431 2.399 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000824494769 788191088 /nfs/dbraw/zinc/19/10/88/788191088.db2.gz ORGUTPQYGXSYKQ-QGZVFWFLSA-N 1 0 343.383 2.006 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000912767578 788353441 /nfs/dbraw/zinc/35/34/41/788353441.db2.gz MSPQRMOBQNRTGG-NSHDSACASA-N 1 0 329.759 2.457 20 5 EEBDRO CCCc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001171072193 788357533 /nfs/dbraw/zinc/35/75/33/788357533.db2.gz SUVURXOELKTENF-UHFFFAOYSA-N 1 0 346.387 2.445 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825401150 788613802 /nfs/dbraw/zinc/61/38/02/788613802.db2.gz ZIVCOUZCBAMOKE-QDEZUTFSSA-N 1 0 349.431 2.111 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168554442 789885719 /nfs/dbraw/zinc/88/57/19/789885719.db2.gz AZRQDPFOIJTYFL-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000173431894 791855711 /nfs/dbraw/zinc/85/57/11/791855711.db2.gz KKEKQHQQBVYHTC-CYBMUJFWSA-N 1 0 348.403 2.124 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC001127235479 792818374 /nfs/dbraw/zinc/81/83/74/792818374.db2.gz SZNWYTYHINGYBE-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001171389254 794475394 /nfs/dbraw/zinc/47/53/94/794475394.db2.gz JPYYBNAIMSTYSG-SNVBAGLBSA-N 1 0 325.328 2.329 20 5 EEBDRO CCOc1cnc(N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171388883 794494096 /nfs/dbraw/zinc/49/40/96/794494096.db2.gz CMQPPCSSTKEQJV-LLVKDONJSA-N 1 0 330.344 2.246 20 5 EEBDRO CC(=O)N1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900704 797129171 /nfs/dbraw/zinc/12/91/71/797129171.db2.gz YLLHJKUVRDSPBS-INIZCTEOSA-N 1 0 331.416 2.443 20 5 EEBDRO CC(=O)N1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910000 797168656 /nfs/dbraw/zinc/16/86/56/797168656.db2.gz WLJHURAYWLTHSZ-QGZVFWFLSA-N 1 0 331.416 2.396 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@H](O)C3)CC2)c(F)c1 ZINC001173005628 797193200 /nfs/dbraw/zinc/19/32/00/797193200.db2.gz JGWQEXMYYPXMPG-AAEUAGOBSA-N 1 0 341.358 2.345 20 5 EEBDRO COC[C@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007604 797194574 /nfs/dbraw/zinc/19/45/74/797194574.db2.gz ULAJOYWLIUORNX-JTQLQIEISA-N 1 0 329.347 2.466 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3C[C@H](O)C3)CC2)c(F)c1 ZINC001173010716 797195855 /nfs/dbraw/zinc/19/58/55/797195855.db2.gz HZGJQCZLVRONHI-MJHDQNEOSA-N 1 0 341.358 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)c2ccncc2)c1F ZINC001173180452 797278477 /nfs/dbraw/zinc/27/84/77/797278477.db2.gz QUSBEERPELRSCK-NHYWBVRUSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1F ZINC001173180667 797278846 /nfs/dbraw/zinc/27/88/46/797278846.db2.gz YDBRGYNYOVWLAT-VXGBXAGGSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@](C)(CO)C2)c1F ZINC001173181761 797279459 /nfs/dbraw/zinc/27/94/59/797279459.db2.gz PNZVMBZHNCAZPM-ZBEGNZNMSA-N 1 0 326.368 2.378 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095189198 797501049 /nfs/dbraw/zinc/50/10/49/797501049.db2.gz KHZCRGIMSBKCJS-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095233905 797566413 /nfs/dbraw/zinc/56/64/13/797566413.db2.gz YOOYBAOXJDXDGR-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000917008810 798011651 /nfs/dbraw/zinc/01/16/51/798011651.db2.gz RRMJXERIMBAMJA-MRXNPFEDSA-N 1 0 348.403 2.360 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1C ZINC001175658549 798188313 /nfs/dbraw/zinc/18/83/13/798188313.db2.gz FIKIYIJIMSYFDS-UHFFFAOYSA-N 1 0 344.415 2.460 20 5 EEBDRO Cc1noc(C)c1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175875921 798276738 /nfs/dbraw/zinc/27/67/38/798276738.db2.gz XAIAKFVRPJFHLN-UHFFFAOYSA-N 1 0 346.387 2.038 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168968787 803553106 /nfs/dbraw/zinc/55/31/06/803553106.db2.gz AKEKYMSIQMLOAS-AICCOOGYSA-N 1 0 339.436 2.277 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC001168989324 803573147 /nfs/dbraw/zinc/57/31/47/803573147.db2.gz VZAPHDCEHVIPIU-JSGCOSHPSA-N 1 0 344.408 2.025 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)C1 ZINC001169019343 803587858 /nfs/dbraw/zinc/58/78/58/803587858.db2.gz HXUIYMWGAKSEHL-JFIYKMOQSA-N 1 0 345.447 2.214 20 5 EEBDRO CC(C)n1nc(CN(C)C)c2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022221 803588202 /nfs/dbraw/zinc/58/82/02/803588202.db2.gz QTRMHRQVIZCSEW-LSDHHAIUSA-N 1 0 349.479 2.329 20 5 EEBDRO Cn1cc([C@@H]2COC3(C2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)cn1 ZINC001169025840 803591206 /nfs/dbraw/zinc/59/12/06/803591206.db2.gz ZGJRBEIBZMLMQX-VYDXJSESSA-N 1 0 348.447 2.204 20 5 EEBDRO CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047603 803593336 /nfs/dbraw/zinc/59/33/36/803593336.db2.gz RMELBBIRRWLWIP-OLZOCXBDSA-N 1 0 327.425 2.278 20 5 EEBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001169060657 803599021 /nfs/dbraw/zinc/59/90/21/803599021.db2.gz UXPYHHMIXMNZIU-UHFFFAOYSA-N 1 0 333.344 2.106 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170305496 809874778 /nfs/dbraw/zinc/87/47/78/809874778.db2.gz LSZBUMKXMYXEKM-YVEFUNNKSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170330098 809894572 /nfs/dbraw/zinc/89/45/72/809894572.db2.gz YPYNVHGEYFLVCL-GFCCVEGCSA-N 1 0 335.404 2.135 20 5 EEBDRO Cc1nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000793750970 810519411 /nfs/dbraw/zinc/51/94/11/810519411.db2.gz ZWDMJUYVVITIGC-KRWDZBQOSA-N 1 0 329.404 2.238 20 5 EEBDRO [NH3+]CCOCCOCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170507381 811839122 /nfs/dbraw/zinc/83/91/22/811839122.db2.gz IZPKGKNAXAOXHQ-UHFFFAOYSA-N 1 0 337.298 2.017 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000097631879 219042538 /nfs/dbraw/zinc/04/25/38/219042538.db2.gz ATCPANHOJOIRAH-UHFFFAOYSA-N 1 0 338.364 2.129 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418787559 529933726 /nfs/dbraw/zinc/93/37/26/529933726.db2.gz JCXBPXYJSHVQFN-OWCLPIDISA-N 1 0 346.431 2.167 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103206824 219270280 /nfs/dbraw/zinc/27/02/80/219270280.db2.gz KMTCIKRBWWRBMW-UHFFFAOYSA-N 1 0 327.406 2.007 20 5 EEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180011127 233651132 /nfs/dbraw/zinc/65/11/32/233651132.db2.gz GISROHNRJQCXNM-UHFFFAOYSA-N 1 0 349.387 2.319 20 5 EEBDRO O=C(C[NH2+][C@@H](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000181493292 234206010 /nfs/dbraw/zinc/20/60/10/234206010.db2.gz PDVPHJSUQYQNHE-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000039263134 213233426 /nfs/dbraw/zinc/23/34/26/213233426.db2.gz WPVHFLZXYCAPBT-UHFFFAOYSA-N 1 0 337.423 2.223 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449715846 283521233 /nfs/dbraw/zinc/52/12/33/283521233.db2.gz JWKUNIGSEGQLTL-WPRPVWTQSA-N 1 0 331.294 2.471 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129388978 223050846 /nfs/dbraw/zinc/05/08/46/223050846.db2.gz MZFMEPAZXHNRFU-RYUDHWBXSA-N 1 0 339.367 2.298 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NCC2([NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC000422698625 240182288 /nfs/dbraw/zinc/18/22/88/240182288.db2.gz AHLDUPNLGXPEIS-UHFFFAOYSA-N 1 0 349.387 2.163 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422782285 240222104 /nfs/dbraw/zinc/22/21/04/240222104.db2.gz JRXKOFMQUIXHPJ-LLVKDONJSA-N 1 0 339.370 2.302 20 5 EEBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193673953 240260087 /nfs/dbraw/zinc/26/00/87/240260087.db2.gz SZTLWXPNLUXPRA-ZBEGNZNMSA-N 1 0 329.356 2.469 20 5 EEBDRO [NH3+]C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000422856522 240261072 /nfs/dbraw/zinc/26/10/72/240261072.db2.gz FOILBYSVVRERSD-JTQLQIEISA-N 1 0 329.809 2.194 20 5 EEBDRO COc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000422872747 240269566 /nfs/dbraw/zinc/26/95/66/240269566.db2.gz ILSUDCRMHQFBMS-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000446485166 242194897 /nfs/dbraw/zinc/19/48/97/242194897.db2.gz NSMKPBNHEXPKHW-UHFFFAOYSA-N 1 0 338.408 2.383 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(CC(F)F)CC3)nc2c1 ZINC000446836247 242224749 /nfs/dbraw/zinc/22/47/49/242224749.db2.gz PQBCTAWANGRZBV-UHFFFAOYSA-N 1 0 339.346 2.290 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513611 242282155 /nfs/dbraw/zinc/28/21/55/242282155.db2.gz XPLTWUUCGFKABZ-GJZGRUSLSA-N 1 0 343.387 2.164 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000238042094 242909524 /nfs/dbraw/zinc/90/95/24/242909524.db2.gz JCBLBRNYIBSFEA-XJKSGUPXSA-N 1 0 346.431 2.442 20 5 EEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451418092 243105295 /nfs/dbraw/zinc/10/52/95/243105295.db2.gz LZLCBGJBUBTRQF-XPKDYRNWSA-N 1 0 333.388 2.159 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245797463 243157103 /nfs/dbraw/zinc/15/71/03/243157103.db2.gz ZBCZBYIZQWNGRS-JFILPPLUSA-N 1 0 333.388 2.469 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500166 243136579 /nfs/dbraw/zinc/13/65/79/243136579.db2.gz MVZORSDXGGMEEX-KNXALSJPSA-N 1 0 335.404 2.491 20 5 EEBDRO CNc1nc(C(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000454375363 243748955 /nfs/dbraw/zinc/74/89/55/243748955.db2.gz JZVBKJNJGJBFMG-UHFFFAOYSA-N 1 0 335.408 2.027 20 5 EEBDRO Cc1c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000455480400 244007807 /nfs/dbraw/zinc/00/78/07/244007807.db2.gz TUSZLWRLRFAGER-GOOCMWNKSA-N 1 0 332.404 2.328 20 5 EEBDRO CNc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000455824749 244088034 /nfs/dbraw/zinc/08/80/34/244088034.db2.gz PHAUWFCLEPIMMV-OLZOCXBDSA-N 1 0 347.419 2.119 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262739567 245153494 /nfs/dbraw/zinc/15/34/94/245153494.db2.gz IXAXOXPAIHLCSM-GXFFZTMASA-N 1 0 346.412 2.446 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459793747 245250324 /nfs/dbraw/zinc/25/03/24/245250324.db2.gz OZTZVFZBQOTYFM-LLVKDONJSA-N 1 0 347.375 2.016 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000110998130 220090508 /nfs/dbraw/zinc/09/05/08/220090508.db2.gz CGUHSALMRXERIE-LBPRGKRZSA-N 1 0 331.376 2.075 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081332247 217384243 /nfs/dbraw/zinc/38/42/43/217384243.db2.gz FWLPUPLXKIPEGS-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO C[NH+](C)C/C=C\C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491946973 246226995 /nfs/dbraw/zinc/22/69/95/246226995.db2.gz COIDEBHZAUJLGA-ARJAWSKDSA-N 1 0 333.388 2.082 20 5 EEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000264336471 246367112 /nfs/dbraw/zinc/36/71/12/246367112.db2.gz VJPAAAGGEFPJQC-UHFFFAOYSA-N 1 0 348.403 2.361 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000266451275 248307801 /nfs/dbraw/zinc/30/78/01/248307801.db2.gz AYMQSHDFCLVMKU-GDBMZVCRSA-N 1 0 332.404 2.063 20 5 EEBDRO COc1ccc(OCCN2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266516125 248340229 /nfs/dbraw/zinc/34/02/29/248340229.db2.gz GOVUGGKTOXBPEY-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](C4CCC4)CC3)n2)cc1 ZINC000486948826 285106915 /nfs/dbraw/zinc/10/69/15/285106915.db2.gz GNYLUZIRFGXVRJ-UHFFFAOYSA-N 1 0 329.360 2.319 20 5 EEBDRO CCOC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000113938766 220611934 /nfs/dbraw/zinc/61/19/34/220611934.db2.gz ZMBZGYBFLLUSHU-RHSMWYFYSA-N 1 0 347.415 2.449 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269183894 255541418 /nfs/dbraw/zinc/54/14/18/255541418.db2.gz BSBIWVDATFUVPW-UHFFFAOYSA-N 1 0 344.209 2.414 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCSC1 ZINC000267379327 256053872 /nfs/dbraw/zinc/05/38/72/256053872.db2.gz YZSAAEAQUZPWHQ-INIZCTEOSA-N 1 0 348.428 2.243 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000267958147 256099926 /nfs/dbraw/zinc/09/99/26/256099926.db2.gz KCPNZPBDMNNCJP-ZDUSSCGKSA-N 1 0 348.403 2.163 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984922 256102434 /nfs/dbraw/zinc/10/24/34/256102434.db2.gz POHSDDQSKRCERY-YPMHNXCESA-N 1 0 348.403 2.028 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150648 256119139 /nfs/dbraw/zinc/11/91/39/256119139.db2.gz MOXXLMDEMHVOKL-MEBBXXQBSA-N 1 0 330.388 2.374 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000271323010 256232708 /nfs/dbraw/zinc/23/27/08/256232708.db2.gz PHJWZDPZPLVRAO-JTQLQIEISA-N 1 0 349.416 2.061 20 5 EEBDRO C[C@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@@H]1C1CC1 ZINC000273043690 256259894 /nfs/dbraw/zinc/25/98/94/256259894.db2.gz IZWTWSPCQJAEIE-MSOLQXFVSA-N 1 0 345.399 2.031 20 5 EEBDRO CCCC[C@@H](COC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273439920 256296721 /nfs/dbraw/zinc/29/67/21/256296721.db2.gz MOWBIRKESRCSFI-ZDUSSCGKSA-N 1 0 344.433 2.163 20 5 EEBDRO CC1(C)CCCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000112709058 292228381 /nfs/dbraw/zinc/22/83/81/292228381.db2.gz BSTGUZZAPMTOBQ-CQSZACIVSA-N 1 0 331.372 2.349 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000377283983 154123595 /nfs/dbraw/zinc/12/35/95/154123595.db2.gz WZJPKTJQHTYEMT-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000067785344 159013784 /nfs/dbraw/zinc/01/37/84/159013784.db2.gz WCAXMKUKAGLBBT-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO COCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534241 159236451 /nfs/dbraw/zinc/23/64/51/159236451.db2.gz MFHFQJAZQZPGIN-LBPRGKRZSA-N 1 0 332.360 2.416 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119230771 159374818 /nfs/dbraw/zinc/37/48/18/159374818.db2.gz AEHURZGKQYYDJO-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]([NH+]4CCCC4)C3)n2)c1 ZINC000170741653 159751856 /nfs/dbraw/zinc/75/18/56/159751856.db2.gz SNUZSONMZFMMFR-OAHLLOKOSA-N 1 0 343.387 2.315 20 5 EEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000194928251 160202341 /nfs/dbraw/zinc/20/23/41/160202341.db2.gz GOXSXNAIBBROFN-CYBMUJFWSA-N 1 0 331.376 2.423 20 5 EEBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237883777 160225946 /nfs/dbraw/zinc/22/59/46/160225946.db2.gz ZCICZAYWBRYCKU-UHFFFAOYSA-N 1 0 326.356 2.384 20 5 EEBDRO Cn1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341866350 161019809 /nfs/dbraw/zinc/01/98/09/161019809.db2.gz JJKHPYFRNIHSSO-AWEZNQCLSA-N 1 0 334.351 2.105 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342721737 161085679 /nfs/dbraw/zinc/08/56/79/161085679.db2.gz IBIPBUDTJANAPB-GZBFAFLISA-N 1 0 334.420 2.303 20 5 EEBDRO CCC[C@]1(CO)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344132123 161200727 /nfs/dbraw/zinc/20/07/27/161200727.db2.gz OVZALBRDIKRSSA-AEFFLSMTSA-N 1 0 347.415 2.185 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000344864176 161251917 /nfs/dbraw/zinc/25/19/17/161251917.db2.gz LQGVKORNUZISHI-DKTLHIEFSA-N 1 0 347.415 2.224 20 5 EEBDRO COc1cc(CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000346094895 161356686 /nfs/dbraw/zinc/35/66/86/161356686.db2.gz OJUWTBVDIHZGAA-SNVBAGLBSA-N 1 0 331.319 2.128 20 5 EEBDRO COc1cc(CN(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000346642363 161387991 /nfs/dbraw/zinc/38/79/91/161387991.db2.gz CCIZIMZPZIUSBT-ZDUSSCGKSA-N 1 0 325.409 2.417 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000346685653 161391732 /nfs/dbraw/zinc/39/17/32/161391732.db2.gz IVCVGHUCJIPALM-CHWSQXEVSA-N 1 0 349.387 2.115 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000351985999 162016172 /nfs/dbraw/zinc/01/61/72/162016172.db2.gz DITXNXMJNCMFLF-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000352358831 162102833 /nfs/dbraw/zinc/10/28/33/162102833.db2.gz YRHNAWNREVYZAN-KRWDZBQOSA-N 1 0 345.399 2.106 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360667 162103548 /nfs/dbraw/zinc/10/35/48/162103548.db2.gz NXBOJXVHXJHSMV-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCO)CC3CC3)o2)c1 ZINC000352484917 162152750 /nfs/dbraw/zinc/15/27/50/162152750.db2.gz VGMNOHGUVKIVML-UHFFFAOYSA-N 1 0 331.372 2.497 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000352506815 162162552 /nfs/dbraw/zinc/16/25/52/162162552.db2.gz AAYOXEVMZDUQHN-DGCLKSJQSA-N 1 0 325.434 2.422 20 5 EEBDRO COc1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000352534828 162176879 /nfs/dbraw/zinc/17/68/79/162176879.db2.gz JOFWDKSMEHSWBB-KRWDZBQOSA-N 1 0 335.404 2.188 20 5 EEBDRO C[NH+](C)CCOc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000354424652 162864525 /nfs/dbraw/zinc/86/45/25/162864525.db2.gz HJXWSVGDMSHKEB-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356256842 163382990 /nfs/dbraw/zinc/38/29/90/163382990.db2.gz TZBBLNDMVNPDQQ-XHDPSFHLSA-N 1 0 344.371 2.117 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152388365 292489821 /nfs/dbraw/zinc/48/98/21/292489821.db2.gz FDRBBJLYELVTBY-UHFFFAOYSA-N 1 0 328.372 2.311 20 5 EEBDRO COc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000357113297 163628339 /nfs/dbraw/zinc/62/83/39/163628339.db2.gz FUGXKNYEFVWFDG-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CO[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000359616204 164138142 /nfs/dbraw/zinc/13/81/42/164138142.db2.gz DJLMOZPUIKUJOS-AWEZNQCLSA-N 1 0 332.303 2.091 20 5 EEBDRO COCC[C@]1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000364870582 165301885 /nfs/dbraw/zinc/30/18/85/165301885.db2.gz UZYWFHRIXNOJGT-CXAGYDPISA-N 1 0 335.404 2.097 20 5 EEBDRO C[NH+](C)[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406658 165476730 /nfs/dbraw/zinc/47/67/30/165476730.db2.gz XCPSUZLWEHCTFE-WMLDXEAASA-N 1 0 346.431 2.116 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191858031 268600984 /nfs/dbraw/zinc/60/09/84/268600984.db2.gz JYPCRTOVSKVRIE-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000271773874 268858297 /nfs/dbraw/zinc/85/82/97/268858297.db2.gz JDDPIZILMKPSJN-KOLCDFICSA-N 1 0 342.758 2.296 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277626777 269165049 /nfs/dbraw/zinc/16/50/49/269165049.db2.gz WWMFROJMQYAOOR-OAHLLOKOSA-N 1 0 333.388 2.107 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C[C@H]3CCOC3)CC1)CCN2 ZINC000278491692 269233531 /nfs/dbraw/zinc/23/35/31/269233531.db2.gz WGKFDLHOHWDXBM-CYBMUJFWSA-N 1 0 346.431 2.476 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894462 274119078 /nfs/dbraw/zinc/11/90/78/274119078.db2.gz CFRDROMBARUZHS-SRMUXQRQSA-N 1 0 345.399 2.469 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000271540374 274140918 /nfs/dbraw/zinc/14/09/18/274140918.db2.gz QUVGSKIMHBIXBD-TVQRCGJNSA-N 1 0 349.309 2.215 20 5 EEBDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000272093625 274165451 /nfs/dbraw/zinc/16/54/51/274165451.db2.gz YKUDXTLLWRSSAV-NVXWUHKLSA-N 1 0 330.388 2.202 20 5 EEBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277706223 274321701 /nfs/dbraw/zinc/32/17/01/274321701.db2.gz IBJXVKJTQAJTLO-SFHVURJKSA-N 1 0 347.415 2.111 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000278341343 274348950 /nfs/dbraw/zinc/34/89/50/274348950.db2.gz XPZSOZHOYJALCX-OLZOCXBDSA-N 1 0 332.404 2.065 20 5 EEBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284983907 274659969 /nfs/dbraw/zinc/65/99/69/274659969.db2.gz MHBIJOIKQQKWLO-UHFFFAOYSA-N 1 0 343.387 2.234 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287074096 274932173 /nfs/dbraw/zinc/93/21/73/274932173.db2.gz HPVFFTANHFOHRA-WMLDXEAASA-N 1 0 346.431 2.406 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCC([NH+](C)C)CC1 ZINC000288552958 275069425 /nfs/dbraw/zinc/06/94/25/275069425.db2.gz VQPUIUNRXVUJTG-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292136285 275382361 /nfs/dbraw/zinc/38/23/61/275382361.db2.gz IUYODDNVDRCEPG-KSSFIOAISA-N 1 0 333.432 2.434 20 5 EEBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000292231971 275398377 /nfs/dbraw/zinc/39/83/77/275398377.db2.gz VTYMRVSTUKXMDL-UHFFFAOYSA-N 1 0 339.392 2.289 20 5 EEBDRO COc1cccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185407178 278016116 /nfs/dbraw/zinc/01/61/16/278016116.db2.gz MULURPKSTUPUHS-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)c1 ZINC000264090378 278066327 /nfs/dbraw/zinc/06/63/27/278066327.db2.gz JKXWRLVPCRRZQD-UHFFFAOYSA-N 1 0 332.335 2.464 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352697137 278266709 /nfs/dbraw/zinc/26/67/09/278266709.db2.gz XYBILCVRBBAAFD-UPJWGTAASA-N 1 0 334.420 2.472 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000154017362 288028287 /nfs/dbraw/zinc/02/82/87/288028287.db2.gz ZRICPHKCMWGELF-DTORHVGOSA-N 1 0 331.294 2.436 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424001980 278362786 /nfs/dbraw/zinc/36/27/86/278362786.db2.gz CMXPVLNXOOPXKM-ZFWWWQNUSA-N 1 0 346.431 2.252 20 5 EEBDRO Cc1c(Br)c(N2C[C@H](C[NH3+])C[C@H]2C)ncc1[N+](=O)[O-] ZINC000228017996 280198726 /nfs/dbraw/zinc/19/87/26/280198726.db2.gz QDPUGEBSJAJHCO-APPZFPTMSA-N 1 0 329.198 2.234 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113301140 280254767 /nfs/dbraw/zinc/25/47/67/280254767.db2.gz OZNAUGQOJOLKLB-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000090552626 281253090 /nfs/dbraw/zinc/25/30/90/281253090.db2.gz GQAPHTOZOAZHTC-INIZCTEOSA-N 1 0 328.372 2.297 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000160368788 281838649 /nfs/dbraw/zinc/83/86/49/281838649.db2.gz KTUNWDCNJGCCOA-OAHLLOKOSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(C)(COCc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000281396057 292755435 /nfs/dbraw/zinc/75/54/35/292755435.db2.gz NDRXDRBYYRCPLC-UHFFFAOYSA-N 1 0 345.399 2.342 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281660382 292773784 /nfs/dbraw/zinc/77/37/84/292773784.db2.gz IYYGLEOQAVGONY-UHFFFAOYSA-N 1 0 334.420 2.219 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131193190 290181228 /nfs/dbraw/zinc/18/12/28/290181228.db2.gz ZMBWHIYLBVJBSL-CMPLNLGQSA-N 1 0 341.795 2.355 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293014143 293102947 /nfs/dbraw/zinc/10/29/47/293102947.db2.gz QAUACEICLYYSHS-SFHVURJKSA-N 1 0 346.431 2.259 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293475743 293218795 /nfs/dbraw/zinc/21/87/95/293218795.db2.gz QWLLCWDWPRVWPZ-JOYOIKCWSA-N 1 0 343.305 2.438 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C[NH+](C)C ZINC000293666595 293265414 /nfs/dbraw/zinc/26/54/14/293265414.db2.gz GDJOBWJAOLCXPU-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294115018 293373873 /nfs/dbraw/zinc/37/38/73/293373873.db2.gz PGJWNSXPLURCIM-UHFFFAOYSA-N 1 0 343.343 2.351 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294531532 293478567 /nfs/dbraw/zinc/47/85/67/293478567.db2.gz LISNBYJMQYWUNA-UHFFFAOYSA-N 1 0 347.415 2.406 20 5 EEBDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296725081 294050673 /nfs/dbraw/zinc/05/06/73/294050673.db2.gz NKADJXVGHSVWKE-NWDGAFQWSA-N 1 0 336.392 2.116 20 5 EEBDRO Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000296734522 294052875 /nfs/dbraw/zinc/05/28/75/294052875.db2.gz JDNNKOPONSUSNO-UHFFFAOYSA-N 1 0 328.376 2.165 20 5 EEBDRO Nc1c(C(=O)NC2CC[NH+](C3CCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000297153938 294165352 /nfs/dbraw/zinc/16/53/52/294165352.db2.gz MDOINHIODDCJLU-UHFFFAOYSA-N 1 0 336.367 2.063 20 5 EEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332009826 311935959 /nfs/dbraw/zinc/93/59/59/311935959.db2.gz DFBCKKFJHLKRBR-VXGBXAGGSA-N 1 0 349.387 2.127 20 5 EEBDRO COc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000332082382 311946329 /nfs/dbraw/zinc/94/63/29/311946329.db2.gz NZLHKWFOVGCWOG-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO COC(=O)c1cc(-c2nc(C3([NH3+])CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000414626487 313050435 /nfs/dbraw/zinc/05/04/35/313050435.db2.gz XZXNWCUVLHJUHO-UHFFFAOYSA-N 1 0 332.316 2.159 20 5 EEBDRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414659066 313058455 /nfs/dbraw/zinc/05/84/55/313058455.db2.gz MPYRWKFEZPOCFF-CYBMUJFWSA-N 1 0 348.403 2.122 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417818725 313606929 /nfs/dbraw/zinc/60/69/29/313606929.db2.gz BHAPDVQRUSBNCS-AEGPPILISA-N 1 0 332.404 2.215 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418434392 313812777 /nfs/dbraw/zinc/81/27/77/313812777.db2.gz VSQQIOLVNMOPJQ-BBRMVZONSA-N 1 0 332.404 2.180 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420450595 313962099 /nfs/dbraw/zinc/96/20/99/313962099.db2.gz UVXHUZGVXSNQIX-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000420935328 314001490 /nfs/dbraw/zinc/00/14/90/314001490.db2.gz HSZZTVZYUIJSNV-RYUDHWBXSA-N 1 0 332.360 2.095 20 5 EEBDRO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420957056 314008421 /nfs/dbraw/zinc/00/84/21/314008421.db2.gz ZALKEODEYKXOSG-HRCADAONSA-N 1 0 338.404 2.224 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000421685618 314142486 /nfs/dbraw/zinc/14/24/86/314142486.db2.gz TYRMGJOOXWZPSY-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000421707205 314146324 /nfs/dbraw/zinc/14/63/24/314146324.db2.gz WWBDQVGNTJUPGC-OAHLLOKOSA-N 1 0 330.388 2.102 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000421762736 314157877 /nfs/dbraw/zinc/15/78/77/314157877.db2.gz OCIOSKORAMUJGR-OAHLLOKOSA-N 1 0 349.431 2.394 20 5 EEBDRO CC[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425382229 314382815 /nfs/dbraw/zinc/38/28/15/314382815.db2.gz HKXXOUVUDCWLMF-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO Cn1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435378287 314898072 /nfs/dbraw/zinc/89/80/72/314898072.db2.gz HZUSUVFLSHLBGF-CVEARBPZSA-N 1 0 341.415 2.322 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000436024422 314937117 /nfs/dbraw/zinc/93/71/17/314937117.db2.gz SMYSTKGOKQVQPG-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445090483 315342559 /nfs/dbraw/zinc/34/25/59/315342559.db2.gz VPLHRIVDWCULOM-UHFFFAOYSA-N 1 0 348.407 2.002 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000452086352 315493079 /nfs/dbraw/zinc/49/30/79/315493079.db2.gz PCZQVGRJGSJQSZ-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000527054861 317146607 /nfs/dbraw/zinc/14/66/07/317146607.db2.gz LQZHCZXXEDTOJG-SHRNQRGKSA-N 1 0 344.415 2.488 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000535899712 317986153 /nfs/dbraw/zinc/98/61/53/317986153.db2.gz GGUNJZXZBSTXFW-HNNXBMFYSA-N 1 0 346.431 2.440 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000537311404 318015985 /nfs/dbraw/zinc/01/59/85/318015985.db2.gz OLSRUAPTCZXIBS-CQSZACIVSA-N 1 0 335.404 2.130 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000546704392 318261823 /nfs/dbraw/zinc/26/18/23/318261823.db2.gz CNTCKARRLKSGDL-LLVKDONJSA-N 1 0 331.376 2.180 20 5 EEBDRO COc1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559238417 318741838 /nfs/dbraw/zinc/74/18/38/318741838.db2.gz DUPKWHCFFKAZJP-HNNXBMFYSA-N 1 0 332.356 2.133 20 5 EEBDRO C[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562299973 318867009 /nfs/dbraw/zinc/86/70/09/318867009.db2.gz VIYUNASLZRZDTR-CQSZACIVSA-N 1 0 349.431 2.268 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000562987302 318953644 /nfs/dbraw/zinc/95/36/44/318953644.db2.gz GCLWKGJBIJRSPA-MRXNPFEDSA-N 1 0 334.347 2.436 20 5 EEBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000563690246 319037190 /nfs/dbraw/zinc/03/71/90/319037190.db2.gz WBXUIOLSKDNMRX-SECBINFHSA-N 1 0 330.291 2.022 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000564860022 319119211 /nfs/dbraw/zinc/11/92/11/319119211.db2.gz MCJVQCQESFCWOU-YPMHNXCESA-N 1 0 330.331 2.360 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000565151437 319153395 /nfs/dbraw/zinc/15/33/95/319153395.db2.gz RPBWJWCMTYJASI-UHFFFAOYSA-N 1 0 344.371 2.050 20 5 EEBDRO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000565658534 319201933 /nfs/dbraw/zinc/20/19/33/319201933.db2.gz PNFXQTFZJHIBTE-UHFFFAOYSA-N 1 0 349.412 2.500 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004831 319234667 /nfs/dbraw/zinc/23/46/67/319234667.db2.gz FZKYDROBDJRJHY-CABCVRRESA-N 1 0 331.372 2.470 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000567333052 319370030 /nfs/dbraw/zinc/37/00/30/319370030.db2.gz IJSRCHILDOKILS-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000575179377 320093368 /nfs/dbraw/zinc/09/33/68/320093368.db2.gz XMSFXZAIBARCRB-OAHLLOKOSA-N 1 0 344.371 2.249 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000576723871 320198955 /nfs/dbraw/zinc/19/89/55/320198955.db2.gz UBNHSEKNJVOLPQ-UHFFFAOYSA-N 1 0 338.383 2.210 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(Sc3ccccc3)CC2)c1 ZINC000577859611 320280511 /nfs/dbraw/zinc/28/05/11/320280511.db2.gz FFZDZZHXGHKYRF-AWEZNQCLSA-N 1 0 348.428 2.067 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000181824757 323357670 /nfs/dbraw/zinc/35/76/70/323357670.db2.gz KBLMECQBUDLFLD-GFCCVEGCSA-N 1 0 348.403 2.322 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181963229 323361102 /nfs/dbraw/zinc/36/11/02/323361102.db2.gz GNFSBXOFELEJSS-BLLLJJGKSA-N 1 0 335.404 2.224 20 5 EEBDRO CC(C)([NH3+])c1noc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC000579350002 323832675 /nfs/dbraw/zinc/83/26/75/323832675.db2.gz WKCGTWWEHOPULO-UHFFFAOYSA-N 1 0 328.332 2.083 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000580498112 324072953 /nfs/dbraw/zinc/07/29/53/324072953.db2.gz UXJSPTPWOUVQFN-UHFFFAOYSA-N 1 0 329.347 2.293 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000582652259 324495827 /nfs/dbraw/zinc/49/58/27/324495827.db2.gz HSNMBLAHSZWPHW-INIZCTEOSA-N 1 0 349.456 2.429 20 5 EEBDRO CC1(C)C[C@@H](O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296033535 465058140 /nfs/dbraw/zinc/05/81/40/465058140.db2.gz MRBZJOZBMBWUJO-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000336868825 465061340 /nfs/dbraw/zinc/06/13/40/465061340.db2.gz ZXQIIOFINODQKV-SECBINFHSA-N 1 0 349.840 2.352 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347633311 465136900 /nfs/dbraw/zinc/13/69/00/465136900.db2.gz TWQQRHFWPSOBLK-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000351522264 465201208 /nfs/dbraw/zinc/20/12/08/465201208.db2.gz JVTWEISZKQLMBR-CJNGLKHVSA-N 1 0 332.360 2.286 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC1(C)C ZINC000298084699 465296955 /nfs/dbraw/zinc/29/69/55/465296955.db2.gz KISJTTOOTBFJQV-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000590580088 468276830 /nfs/dbraw/zinc/27/68/30/468276830.db2.gz ZMLDFLMONVHZEA-LLVKDONJSA-N 1 0 332.326 2.271 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591463 468280650 /nfs/dbraw/zinc/28/06/50/468280650.db2.gz PTRSNRCUMXIZRU-NSHDSACASA-N 1 0 347.412 2.051 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000060665954 462563234 /nfs/dbraw/zinc/56/32/34/462563234.db2.gz YZVAJGJLTMXFKL-UHFFFAOYSA-N 1 0 336.348 2.027 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cn1 ZINC000061634989 462592701 /nfs/dbraw/zinc/59/27/01/462592701.db2.gz RXTMFHFWFIUOTG-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000590694545 468309365 /nfs/dbraw/zinc/30/93/65/468309365.db2.gz NEGYCVNZVQDREZ-MRXNPFEDSA-N 1 0 342.399 2.808 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153706874 462681235 /nfs/dbraw/zinc/68/12/35/462681235.db2.gz ZGJUQSBFIVEFPL-PHIMTYICSA-N 1 0 341.795 2.226 20 5 EEBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075674522 462748616 /nfs/dbraw/zinc/74/86/16/462748616.db2.gz BZNVMYXOOYWXEZ-HOCLYGCPSA-N 1 0 332.404 2.462 20 5 EEBDRO Cc1c(NC(=O)NCCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000521532639 468318536 /nfs/dbraw/zinc/31/85/36/468318536.db2.gz VLSVWUOEBTYVIR-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000155397067 462885933 /nfs/dbraw/zinc/88/59/33/462885933.db2.gz AUOKGUJEEIZKAH-CJNGLKHVSA-N 1 0 333.388 2.059 20 5 EEBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000048303150 462891299 /nfs/dbraw/zinc/89/12/99/462891299.db2.gz RZZRZAZZZDPMTR-UHFFFAOYSA-N 1 0 328.372 2.153 20 5 EEBDRO O=c1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]c2ccnn21 ZINC000155714903 462932968 /nfs/dbraw/zinc/93/29/68/462932968.db2.gz KAPMGKOWLRNFJB-UHFFFAOYSA-N 1 0 339.355 2.095 20 5 EEBDRO COc1ccc(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067910902 463066609 /nfs/dbraw/zinc/06/66/09/463066609.db2.gz FHFNOVBEKIPMLD-ZIAGYGMSSA-N 1 0 349.431 2.383 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000023509333 463067626 /nfs/dbraw/zinc/06/76/26/463067626.db2.gz RDJLJQMSGZMJAG-ZIAGYGMSSA-N 1 0 335.404 2.132 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000156792572 463068200 /nfs/dbraw/zinc/06/82/00/463068200.db2.gz LVDNXGNGAVJMAZ-UHFFFAOYSA-N 1 0 338.364 2.224 20 5 EEBDRO COc1cc(C(=O)N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000156789189 463068300 /nfs/dbraw/zinc/06/83/00/463068300.db2.gz PMXHSYGKKVGCKK-UHFFFAOYSA-N 1 0 339.392 2.024 20 5 EEBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000077928874 463073504 /nfs/dbraw/zinc/07/35/04/463073504.db2.gz GICLSVMBSFJWSZ-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000025151400 463111843 /nfs/dbraw/zinc/11/18/43/463111843.db2.gz UZBRWYHMWSPWRA-VXGBXAGGSA-N 1 0 338.364 2.414 20 5 EEBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157441216 463132735 /nfs/dbraw/zinc/13/27/35/463132735.db2.gz GQWQANLKKLWKMO-ZDUSSCGKSA-N 1 0 341.375 2.065 20 5 EEBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000025924989 463143967 /nfs/dbraw/zinc/14/39/67/463143967.db2.gz CSLXYKURONQKIJ-GFCCVEGCSA-N 1 0 349.412 2.435 20 5 EEBDRO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000068910508 463189660 /nfs/dbraw/zinc/18/96/60/463189660.db2.gz AWULISBUSHZDLI-KRWDZBQOSA-N 1 0 341.415 2.390 20 5 EEBDRO COc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568506564 468347903 /nfs/dbraw/zinc/34/79/03/468347903.db2.gz BVWFBXZCPRMACU-HNNXBMFYSA-N 1 0 341.367 2.107 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000151029982 463466628 /nfs/dbraw/zinc/46/66/28/463466628.db2.gz PMKWEDWNRVXMIN-JQWIXIFHSA-N 1 0 341.795 2.226 20 5 EEBDRO Cc1sc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125094170 463502334 /nfs/dbraw/zinc/50/23/34/463502334.db2.gz BVDUIURYKBIULW-GHMZBOCLSA-N 1 0 347.462 2.116 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000058105107 463541695 /nfs/dbraw/zinc/54/16/95/463541695.db2.gz FFZUFJGNFQHQDG-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000060156227 463649960 /nfs/dbraw/zinc/64/99/60/463649960.db2.gz LKCAOYZQNGTPDX-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CNC(=O)OC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000286923515 463744261 /nfs/dbraw/zinc/74/42/61/463744261.db2.gz KPXIHIBKUYOQRI-AWEZNQCLSA-N 1 0 337.376 2.314 20 5 EEBDRO COCC[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000171138958 463796331 /nfs/dbraw/zinc/79/63/31/463796331.db2.gz OEWZYEONJJVVGI-UHFFFAOYSA-N 1 0 337.420 2.200 20 5 EEBDRO C[C@]1(C[NH3+])CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733287 463842895 /nfs/dbraw/zinc/84/28/95/463842895.db2.gz JZKTVYSNHSZJTK-QGZVFWFLSA-N 1 0 330.388 2.463 20 5 EEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016469 463844281 /nfs/dbraw/zinc/84/42/81/463844281.db2.gz QMMZVXVQKHUVIN-HOCLYGCPSA-N 1 0 333.388 2.031 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287258270 463850130 /nfs/dbraw/zinc/85/01/30/463850130.db2.gz HDOJQQYVKURSQV-JTQLQIEISA-N 1 0 329.784 2.280 20 5 EEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000261789336 463860289 /nfs/dbraw/zinc/86/02/89/463860289.db2.gz LUSNOUDOXJAGJM-ZWNOBZJWSA-N 1 0 325.796 2.377 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261795626 463862765 /nfs/dbraw/zinc/86/27/65/463862765.db2.gz MHRDLMHVVNSENO-OKILXGFUSA-N 1 0 344.415 2.241 20 5 EEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000171504990 463874452 /nfs/dbraw/zinc/87/44/52/463874452.db2.gz GAKNITWKFHMFQB-LLVKDONJSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CO)CCCC1 ZINC000186479075 464009311 /nfs/dbraw/zinc/00/93/11/464009311.db2.gz GPWBJGPZNDRPTL-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262730983 464038864 /nfs/dbraw/zinc/03/88/64/464038864.db2.gz DCIFWLKZVNDTAB-FZMZJTMJSA-N 1 0 341.433 2.048 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000279253067 464078880 /nfs/dbraw/zinc/07/88/80/464078880.db2.gz IKGWHWBTMKHQOQ-LLVKDONJSA-N 1 0 343.786 2.482 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000179995522 464220260 /nfs/dbraw/zinc/22/02/60/464220260.db2.gz JZYCDQPJOFCPTB-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[C@@H](CO)O3)cs2)c1 ZINC000292490542 464251227 /nfs/dbraw/zinc/25/12/27/464251227.db2.gz BNCZQCJJJXBANC-CABCVRRESA-N 1 0 349.412 2.348 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000263958107 464252340 /nfs/dbraw/zinc/25/23/40/464252340.db2.gz NCLYETMGBFJFAU-UHFFFAOYSA-N 1 0 330.392 2.055 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173618962 464294708 /nfs/dbraw/zinc/29/47/08/464294708.db2.gz OHBZEGYEIDEZBV-ZDUSSCGKSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237434338 464319866 /nfs/dbraw/zinc/31/98/66/464319866.db2.gz JATMQWYLDXLOLF-CXAGYDPISA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000293357120 464401897 /nfs/dbraw/zinc/40/18/97/464401897.db2.gz ZQQLODPFEJJHPF-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO COc1cc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O ZINC000174541616 464421836 /nfs/dbraw/zinc/42/18/36/464421836.db2.gz DOOSLFVFHOSSEK-UHFFFAOYSA-N 1 0 345.355 2.380 20 5 EEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238146520 464435964 /nfs/dbraw/zinc/43/59/64/464435964.db2.gz LHHHXXXDNCXFMM-AWEZNQCLSA-N 1 0 346.431 2.315 20 5 EEBDRO COc1cccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000298692927 465474004 /nfs/dbraw/zinc/47/40/04/465474004.db2.gz RUFRIPJZJLNHEG-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCOC2=O)c1 ZINC000181299834 464468866 /nfs/dbraw/zinc/46/88/66/464468866.db2.gz HNQNVDWOOVLTOQ-LBPRGKRZSA-N 1 0 345.359 2.099 20 5 EEBDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175382046 464537350 /nfs/dbraw/zinc/53/73/50/464537350.db2.gz STZUOVCTKOVHLJ-MYODQAERSA-N 1 0 336.417 2.222 20 5 EEBDRO CCOc1cccc(NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281748717 464569707 /nfs/dbraw/zinc/56/97/07/464569707.db2.gz XOJGDBDWILJSQZ-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+](CC(C)(C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000189979823 464577207 /nfs/dbraw/zinc/57/72/07/464577207.db2.gz NBENYTHCJNHFMT-UHFFFAOYSA-N 1 0 335.404 2.467 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294742471 464592626 /nfs/dbraw/zinc/59/26/26/464592626.db2.gz CKQIEILCHWQABM-UHFFFAOYSA-N 1 0 340.399 2.260 20 5 EEBDRO C[C@@H]1CSCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000190470950 464652112 /nfs/dbraw/zinc/65/21/12/464652112.db2.gz GZQZOTBZNWWYSW-JSGCOSHPSA-N 1 0 326.418 2.019 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000247512415 464688273 /nfs/dbraw/zinc/68/82/73/464688273.db2.gz JUIAAUWSUNHEIM-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)n1 ZINC000176227847 464725668 /nfs/dbraw/zinc/72/56/68/464725668.db2.gz SHDMRPYPLOYSGW-AWEZNQCLSA-N 1 0 344.371 2.400 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000265939586 464741201 /nfs/dbraw/zinc/74/12/01/464741201.db2.gz UAWCPIMURXEHQT-UHFFFAOYSA-N 1 0 339.395 2.424 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295258453 464764803 /nfs/dbraw/zinc/76/48/03/464764803.db2.gz CZLVBFAASPHKTL-ZDUSSCGKSA-N 1 0 338.404 2.465 20 5 EEBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000286213671 464841804 /nfs/dbraw/zinc/84/18/04/464841804.db2.gz QQDSBEXAHGVERE-AWEZNQCLSA-N 1 0 339.392 2.193 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000183363140 464855467 /nfs/dbraw/zinc/85/54/67/464855467.db2.gz ZVDMLVVGCMQSBW-NEPJUHHUSA-N 1 0 349.435 2.263 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286317719 464879030 /nfs/dbraw/zinc/87/90/30/464879030.db2.gz KQSDMZNNLWELJC-DGCLKSJQSA-N 1 0 343.387 2.307 20 5 EEBDRO C[N@@H+](Cc1cc2ccccc2o1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266954938 464884380 /nfs/dbraw/zinc/88/43/80/464884380.db2.gz VPZNMLCPHMNXQI-CQSZACIVSA-N 1 0 330.344 2.030 20 5 EEBDRO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295590252 464893718 /nfs/dbraw/zinc/89/37/18/464893718.db2.gz BYCIDFGSIHRFRQ-RYUDHWBXSA-N 1 0 326.418 2.459 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000267020019 464907289 /nfs/dbraw/zinc/90/72/89/464907289.db2.gz JOZVQLNXMGGTEK-LLVKDONJSA-N 1 0 332.326 2.271 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187747 464963917 /nfs/dbraw/zinc/96/39/17/464963917.db2.gz UZDMYTROBJCUCU-IUODEOHRSA-N 1 0 332.404 2.219 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282880994 464987288 /nfs/dbraw/zinc/98/72/88/464987288.db2.gz VRXWCQKGBXMNEI-MNOVXSKESA-N 1 0 327.356 2.118 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286653654 464993726 /nfs/dbraw/zinc/99/37/26/464993726.db2.gz BVELPZPWZVLDSI-KGLIPLIRSA-N 1 0 333.388 2.059 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]21 ZINC000599992565 468430585 /nfs/dbraw/zinc/43/05/85/468430585.db2.gz WHYDFGYELUNSQE-PJXYFTJBSA-N 1 0 343.305 2.246 20 5 EEBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cn1ccnc1 ZINC000342931998 465397078 /nfs/dbraw/zinc/39/70/78/465397078.db2.gz DEUKGHAMSXSVJP-LLVKDONJSA-N 1 0 327.344 2.339 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298770580 465499376 /nfs/dbraw/zinc/49/93/76/465499376.db2.gz OLTXTUZYMYJHDW-PBHICJAKSA-N 1 0 331.372 2.500 20 5 EEBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCO1 ZINC000348283436 465529959 /nfs/dbraw/zinc/52/99/59/465529959.db2.gz XMVNNZQWCWRZAZ-DZGCQCFKSA-N 1 0 349.387 2.440 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)o1 ZINC000337726421 465542279 /nfs/dbraw/zinc/54/22/79/465542279.db2.gz UDFRRSRAFJVBHP-CQSZACIVSA-N 1 0 332.360 2.391 20 5 EEBDRO CCOc1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000356799205 465547930 /nfs/dbraw/zinc/54/79/30/465547930.db2.gz WHAKIOGOUGXRON-UKRRQHHQSA-N 1 0 325.434 2.475 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299071647 465586178 /nfs/dbraw/zinc/58/61/78/465586178.db2.gz PAEZEGMWFMIYNX-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[NH+](C)C ZINC000360631997 465586265 /nfs/dbraw/zinc/58/62/65/465586265.db2.gz GXQQANPIPNWYHS-CYBMUJFWSA-N 1 0 330.388 2.931 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340141030 465806583 /nfs/dbraw/zinc/80/65/83/465806583.db2.gz HPFOXQDOSOUBOA-CABCVRRESA-N 1 0 332.404 2.063 20 5 EEBDRO CNc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000361162553 465808729 /nfs/dbraw/zinc/80/87/29/465808729.db2.gz UENMJEDHSPUECB-CYBMUJFWSA-N 1 0 334.420 2.488 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591354643 468456241 /nfs/dbraw/zinc/45/62/41/468456241.db2.gz JRCAMCPLYBVDMO-KCQAQPDRSA-N 1 0 332.404 2.358 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000357291576 465918849 /nfs/dbraw/zinc/91/88/49/465918849.db2.gz FAEOEZFXZSBQNI-XNJGSVPQSA-N 1 0 334.420 2.290 20 5 EEBDRO Cc1c(Br)c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000362661228 465919940 /nfs/dbraw/zinc/91/99/40/465919940.db2.gz CUGUTDWRSFBDAM-AOOOYVTPSA-N 1 0 341.209 2.059 20 5 EEBDRO COc1cc(C(=O)NCCNc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000346246159 466025539 /nfs/dbraw/zinc/02/55/39/466025539.db2.gz NYCDHQHVPUIRBS-UHFFFAOYSA-N 1 0 330.344 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353688360 466067255 /nfs/dbraw/zinc/06/72/55/466067255.db2.gz ODOUEOIZXGKCRY-MFKMUULPSA-N 1 0 327.331 2.380 20 5 EEBDRO COC[C@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661914 466181376 /nfs/dbraw/zinc/18/13/76/466181376.db2.gz HASQRLAJGCVMDR-ZDUSSCGKSA-N 1 0 344.433 2.019 20 5 EEBDRO Cn1nccc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170806 466203228 /nfs/dbraw/zinc/20/32/28/466203228.db2.gz WGDLJERTFYRKJP-RHSMWYFYSA-N 1 0 330.388 2.241 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000349801851 466247619 /nfs/dbraw/zinc/24/76/19/466247619.db2.gz PENWRNKKLLEZKW-JTQLQIEISA-N 1 0 349.840 2.255 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331826732 466261038 /nfs/dbraw/zinc/26/10/38/466261038.db2.gz JAUBSPHSIDLVPF-UKPHBRMFSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836111 466265380 /nfs/dbraw/zinc/26/53/80/466265380.db2.gz BWPRFPPFKBCCBF-UAGQMJEPSA-N 1 0 338.379 2.486 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000304332302 466284676 /nfs/dbraw/zinc/28/46/76/466284676.db2.gz VOJUZOJTYPXOHP-HUUCEWRRSA-N 1 0 334.376 2.363 20 5 EEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372364021 466331741 /nfs/dbraw/zinc/33/17/41/466331741.db2.gz DANJMOYWFWRREQ-GOSISDBHSA-N 1 0 332.448 2.195 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000332191615 466437963 /nfs/dbraw/zinc/43/79/63/466437963.db2.gz XVQMCGKANDQLKZ-CYBMUJFWSA-N 1 0 349.435 2.245 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000347218887 466485645 /nfs/dbraw/zinc/48/56/45/466485645.db2.gz YJBNSSFIMVVNQU-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362030353 466498343 /nfs/dbraw/zinc/49/83/43/466498343.db2.gz WFQOHCKBGLDOJG-SWLSCSKDSA-N 1 0 328.340 2.026 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)n1 ZINC000347344494 466580519 /nfs/dbraw/zinc/58/05/19/466580519.db2.gz QLZZBHBMBQQSCL-KGLIPLIRSA-N 1 0 348.428 2.292 20 5 EEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000415431622 466676434 /nfs/dbraw/zinc/67/64/34/466676434.db2.gz DSQIKYAFVIUIGJ-JTQLQIEISA-N 1 0 332.282 2.472 20 5 EEBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192772 466740357 /nfs/dbraw/zinc/74/03/57/466740357.db2.gz XWVPVEGWIUHOEN-WFASDCNBSA-N 1 0 339.779 2.344 20 5 EEBDRO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201270 466742808 /nfs/dbraw/zinc/74/28/08/466742808.db2.gz JNXYUIQZISHDNQ-DOTOQJQBSA-N 1 0 349.431 2.025 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373280320 466751702 /nfs/dbraw/zinc/75/17/02/466751702.db2.gz WUWIPRHYYJCLNE-SJKOYZFVSA-N 1 0 333.388 2.077 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000423664494 466797948 /nfs/dbraw/zinc/79/79/48/466797948.db2.gz FLFOUYSNMCPHKG-BETUJISGSA-N 1 0 333.388 2.065 20 5 EEBDRO Cc1cc(OCC(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000373784029 466918913 /nfs/dbraw/zinc/91/89/13/466918913.db2.gz WAFYVTWGZFFHMT-UHFFFAOYSA-N 1 0 347.415 2.369 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423972175 466932957 /nfs/dbraw/zinc/93/29/57/466932957.db2.gz ZHWQXILVNFQVPV-CQSZACIVSA-N 1 0 343.387 2.028 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411933215 466938798 /nfs/dbraw/zinc/93/87/98/466938798.db2.gz JLMORORQYAHADF-CYBMUJFWSA-N 1 0 335.404 2.292 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424001975 466946202 /nfs/dbraw/zinc/94/62/02/466946202.db2.gz CMXPVLNXOOPXKM-HIFRSBDPSA-N 1 0 346.431 2.252 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418754625 467154944 /nfs/dbraw/zinc/15/49/44/467154944.db2.gz BHPUDCZUVVVJGC-TZMCWYRMSA-N 1 0 332.404 2.396 20 5 EEBDRO CC[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427422458 467156424 /nfs/dbraw/zinc/15/64/24/467156424.db2.gz VOQNSQHKDRZFCD-UHFFFAOYSA-N 1 0 348.325 2.181 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418765300 467156815 /nfs/dbraw/zinc/15/68/15/467156815.db2.gz LOSVKHTYGXVPJH-TZMCWYRMSA-N 1 0 332.404 2.396 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCN(C)CC1 ZINC000413111804 467171627 /nfs/dbraw/zinc/17/16/27/467171627.db2.gz JDXKDIIPBKIIQW-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000413231677 467193879 /nfs/dbraw/zinc/19/38/79/467193879.db2.gz BWZBHQSEMUMQCJ-HNNXBMFYSA-N 1 0 346.362 2.308 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc43)C[C@H]21 ZINC000413286961 467208136 /nfs/dbraw/zinc/20/81/36/467208136.db2.gz FBQMJQGUXWEMHS-CVEARBPZSA-N 1 0 328.372 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@H]1CCC[NH2+]C1 ZINC000420197932 467320159 /nfs/dbraw/zinc/32/01/59/467320159.db2.gz LVTQHVBTGZUJRB-OAHLLOKOSA-N 1 0 348.447 2.229 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429556291 467347412 /nfs/dbraw/zinc/34/74/12/467347412.db2.gz OVYUGGQQFVOMRB-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000420415739 467401030 /nfs/dbraw/zinc/40/10/30/467401030.db2.gz VDXJGUJPNRZMJR-DGCLKSJQSA-N 1 0 331.376 2.062 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430195662 467408141 /nfs/dbraw/zinc/40/81/41/467408141.db2.gz OWOXXCQMDUJWSC-RDJZCZTQSA-N 1 0 338.404 2.259 20 5 EEBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000435379712 467465193 /nfs/dbraw/zinc/46/51/93/467465193.db2.gz KHRAZUHEADHADO-BLLLJJGKSA-N 1 0 329.404 2.164 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3C[NH2+]CCCO3)o2)c1 ZINC000415033803 467471785 /nfs/dbraw/zinc/47/17/85/467471785.db2.gz HFYPTRJGCXWDBP-MRXNPFEDSA-N 1 0 331.372 2.323 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405353840 467480844 /nfs/dbraw/zinc/48/08/44/467480844.db2.gz PWPVYJRWFQVKOL-WCQYABFASA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000454600941 467603593 /nfs/dbraw/zinc/60/35/93/467603593.db2.gz HDWYXCBBSDBKHX-IVMMDQJWSA-N 1 0 332.404 2.310 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000454787763 467615899 /nfs/dbraw/zinc/61/58/99/467615899.db2.gz CUXKSPWOOTUOFQ-PHIMTYICSA-N 1 0 340.811 2.482 20 5 EEBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062224 467616083 /nfs/dbraw/zinc/61/60/83/467616083.db2.gz YCIVQCLONJWNRP-RDJZCZTQSA-N 1 0 335.448 2.472 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449202285 467623323 /nfs/dbraw/zinc/62/33/23/467623323.db2.gz JUQXDHWVCUBYCB-KBPBESRZSA-N 1 0 333.388 2.065 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000455141073 467637338 /nfs/dbraw/zinc/63/73/38/467637338.db2.gz NGJGTJFNVGPGNK-OKILXGFUSA-N 1 0 348.403 2.196 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000492722677 467727312 /nfs/dbraw/zinc/72/73/12/467727312.db2.gz OGZXTOGGXYACDB-CYBMUJFWSA-N 1 0 335.404 2.471 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494203205 468036878 /nfs/dbraw/zinc/03/68/78/468036878.db2.gz AVTRRVKEVRDRLD-BZNIZROVSA-N 1 0 337.376 2.089 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000494430751 468055343 /nfs/dbraw/zinc/05/53/43/468055343.db2.gz BLZASQCPMNVPBG-LLVKDONJSA-N 1 0 338.314 2.497 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000532588291 468125225 /nfs/dbraw/zinc/12/52/25/468125225.db2.gz RPCNIEWREPAYFA-UHFFFAOYSA-N 1 0 327.768 2.298 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000533194351 468178471 /nfs/dbraw/zinc/17/84/71/468178471.db2.gz ORIYTENOIUIYNQ-ZFWWWQNUSA-N 1 0 332.404 2.193 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000590378211 468242320 /nfs/dbraw/zinc/24/23/20/468242320.db2.gz BNBXDCMNNAZAQW-INIZCTEOSA-N 1 0 338.379 2.391 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000591851636 468531176 /nfs/dbraw/zinc/53/11/76/468531176.db2.gz SBUWXZJGRZXEPX-HNNXBMFYSA-N 1 0 331.376 2.292 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597698168 468643294 /nfs/dbraw/zinc/64/32/94/468643294.db2.gz GKLFJGJNKGJNKA-SKDRFNHKSA-N 1 0 343.330 2.361 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597714189 468649156 /nfs/dbraw/zinc/64/91/56/468649156.db2.gz HDVHPWCWVMYKJG-GOSISDBHSA-N 1 0 331.416 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597717059 468650059 /nfs/dbraw/zinc/65/00/59/468650059.db2.gz XPTRYYZZDCWLBV-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594801416 468691627 /nfs/dbraw/zinc/69/16/27/468691627.db2.gz NRUKAKYXXAMVTC-GFCCVEGCSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000592544712 468727041 /nfs/dbraw/zinc/72/70/41/468727041.db2.gz IEUHPPNAXXNYDJ-YGRLFVJLSA-N 1 0 325.796 2.377 20 5 EEBDRO C[C@@H](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597999248 468735276 /nfs/dbraw/zinc/73/52/76/468735276.db2.gz RLNNVYRYCVCCAH-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000592769918 468780675 /nfs/dbraw/zinc/78/06/75/468780675.db2.gz RAICIVOKWRKKHH-ZIAGYGMSSA-N 1 0 334.420 2.162 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C(C)C)cc1OC ZINC000584053270 468792486 /nfs/dbraw/zinc/79/24/86/468792486.db2.gz FJKMPHQUNVREQC-UHFFFAOYSA-N 1 0 339.392 2.120 20 5 EEBDRO CC(C)CNC(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595288949 468801654 /nfs/dbraw/zinc/80/16/54/468801654.db2.gz BYTVLNMDUCXUAI-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]C1 ZINC000571777573 468839566 /nfs/dbraw/zinc/83/95/66/468839566.db2.gz YRGMRHMLPJLETM-OLZOCXBDSA-N 1 0 332.404 2.051 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000595454245 468859403 /nfs/dbraw/zinc/85/94/03/468859403.db2.gz FSZKXCCETJGIKX-HZPDHXFCSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584470670 468880096 /nfs/dbraw/zinc/88/00/96/468880096.db2.gz CGRIESUUDGPBNQ-CQSZACIVSA-N 1 0 348.447 2.445 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000561383411 468890778 /nfs/dbraw/zinc/89/07/78/468890778.db2.gz KOAVCSAUBRWRCN-CHWSQXEVSA-N 1 0 335.404 2.087 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000595564864 468904168 /nfs/dbraw/zinc/90/41/68/468904168.db2.gz WEGLXXRHPAOJGF-UONOGXRCSA-N 1 0 345.355 2.280 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598559375 468912979 /nfs/dbraw/zinc/91/29/79/468912979.db2.gz GMLVRUAOWHTPGT-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO C[NH+](C)CCn1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000601596579 468931157 /nfs/dbraw/zinc/93/11/57/468931157.db2.gz RYIDFZPLXUHSOJ-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682095 468958087 /nfs/dbraw/zinc/95/80/87/468958087.db2.gz LLCFSEQZKMWJJS-DYVFJYSZSA-N 1 0 332.404 2.045 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000610576892 469008721 /nfs/dbraw/zinc/00/87/21/469008721.db2.gz CZLXXZGYICJLPW-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602717738 469030460 /nfs/dbraw/zinc/03/04/60/469030460.db2.gz AEKLEOPKWRRTDF-KNVOCYPGSA-N 1 0 349.206 2.460 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595937138 469091834 /nfs/dbraw/zinc/09/18/34/469091834.db2.gz RUXSXAMERBQQGG-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc([N+](=O)[O-])c1C ZINC000573273473 469096544 /nfs/dbraw/zinc/09/65/44/469096544.db2.gz KVHICBFFJMETQT-UONOGXRCSA-N 1 0 333.388 2.221 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601973022 469121662 /nfs/dbraw/zinc/12/16/62/469121662.db2.gz BNSXEFIZJIOIRW-CALCHBBNSA-N 1 0 333.388 2.065 20 5 EEBDRO CSC1(CNc2c(Cl)cncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000596237140 469217636 /nfs/dbraw/zinc/21/76/36/469217636.db2.gz AACUQBCYTOLYLZ-UHFFFAOYSA-N 1 0 330.841 2.304 20 5 EEBDRO C[C@@H](CC1CCC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611335866 469230307 /nfs/dbraw/zinc/23/03/07/469230307.db2.gz DNAUKNYQFVTFSH-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC1CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602516238 469346755 /nfs/dbraw/zinc/34/67/55/469346755.db2.gz WTCHYEZIEDDFTG-UHFFFAOYSA-N 1 0 347.463 2.280 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000602554478 469359103 /nfs/dbraw/zinc/35/91/03/469359103.db2.gz YXNOPHSUNDTVQB-XJKSGUPXSA-N 1 0 334.420 2.099 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000608836703 469882777 /nfs/dbraw/zinc/88/27/77/469882777.db2.gz GFSVZGFOVHIJIF-LEXSJLIMSA-N 1 0 342.399 2.464 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353322790 490757176 /nfs/dbraw/zinc/75/71/76/490757176.db2.gz COLYYAAVMJVNQF-SNVBAGLBSA-N 1 0 339.355 2.421 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414941434 533841026 /nfs/dbraw/zinc/84/10/26/533841026.db2.gz CLWAMKUTHKFZOO-RKDXNWHRSA-N 1 0 344.318 2.397 20 5 EEBDRO C[C@H](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183290518 533942597 /nfs/dbraw/zinc/94/25/97/533942597.db2.gz BUUIJLGIHUXYKW-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000183558862 534424126 /nfs/dbraw/zinc/42/41/26/534424126.db2.gz APAPUEVNKMOLKW-SWLSCSKDSA-N 1 0 345.403 2.470 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174567486 534630666 /nfs/dbraw/zinc/63/06/66/534630666.db2.gz RPHJPKXFLMPKDU-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000158971547 528245711 /nfs/dbraw/zinc/24/57/11/528245711.db2.gz HBCOCXRRACMTJB-ZDUSSCGKSA-N 1 0 331.376 2.131 20 5 EEBDRO CC[C@](C)(O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000189718906 529373113 /nfs/dbraw/zinc/37/31/13/529373113.db2.gz ILDHLTHQWTYNSY-KRWDZBQOSA-N 1 0 332.404 2.455 20 5 EEBDRO CCC[NH2+]CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236779658 535170452 /nfs/dbraw/zinc/17/04/52/535170452.db2.gz CNTSPMVAPPWEEJ-SNVBAGLBSA-N 1 0 329.784 2.131 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000773195983 577322178 /nfs/dbraw/zinc/32/21/78/577322178.db2.gz ZJJALALQFXPGTP-GFCCVEGCSA-N 1 0 332.404 2.383 20 5 EEBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291170 577393774 /nfs/dbraw/zinc/39/37/74/577393774.db2.gz CXGXFXJFNDESSP-GARJFASQSA-N 1 0 336.314 2.442 20 5 EEBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000774626282 577407287 /nfs/dbraw/zinc/40/72/87/577407287.db2.gz SYCVMTBWQRWMOB-SWLSCSKDSA-N 1 0 346.387 2.441 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581336 577463150 /nfs/dbraw/zinc/46/31/50/577463150.db2.gz CXRUUSSBWODWRS-SJORKVTESA-N 1 0 347.415 2.105 20 5 EEBDRO COCCCOC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585003 577463315 /nfs/dbraw/zinc/46/33/15/577463315.db2.gz QUMOXIPROKDNIS-QGZVFWFLSA-N 1 0 338.404 2.146 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735368 577485610 /nfs/dbraw/zinc/48/56/10/577485610.db2.gz JGCJEHLSMPLUDY-QZTJIDSGSA-N 1 0 346.358 2.361 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000765748179 577506556 /nfs/dbraw/zinc/50/65/56/577506556.db2.gz JULIAIPFDUOPGP-LBPRGKRZSA-N 1 0 330.392 2.043 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000765931982 577509273 /nfs/dbraw/zinc/50/92/73/577509273.db2.gz XCYAZFKZJUUTAK-RYUDHWBXSA-N 1 0 339.367 2.054 20 5 EEBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768832019 577563555 /nfs/dbraw/zinc/56/35/55/577563555.db2.gz AYRIEZRQIKPCNO-UHFFFAOYSA-N 1 0 349.478 2.447 20 5 EEBDRO CCOC(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000770666118 577601243 /nfs/dbraw/zinc/60/12/43/577601243.db2.gz UIJSMQPEQZTDQU-UHFFFAOYSA-N 1 0 347.415 2.497 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)OCc1cccc2nccn21 ZINC000770927852 577606330 /nfs/dbraw/zinc/60/63/30/577606330.db2.gz VVDAZOKZUCMDJR-UHFFFAOYSA-N 1 0 327.296 2.365 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1F ZINC000764463306 577736684 /nfs/dbraw/zinc/73/66/84/577736684.db2.gz UWVTXPGLEBRWPS-UHFFFAOYSA-N 1 0 335.339 2.053 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000754981652 577817522 /nfs/dbraw/zinc/81/75/22/577817522.db2.gz QJDOEWQJZJLQAI-ZETCQYMHSA-N 1 0 348.172 2.176 20 5 EEBDRO C[NH+](C)CCCNC(=S)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000746535334 577929634 /nfs/dbraw/zinc/92/96/34/577929634.db2.gz YVCCKQQWRJPLPS-UHFFFAOYSA-N 1 0 336.461 2.385 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000748603713 577964824 /nfs/dbraw/zinc/96/48/24/577964824.db2.gz YTBSRAAXMUMFRJ-AWEZNQCLSA-N 1 0 340.474 2.319 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724993 578123150 /nfs/dbraw/zinc/12/31/50/578123150.db2.gz PIGWXGPRSLHUEO-ONGXEEELSA-N 1 0 336.348 2.024 20 5 EEBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCCCCC2)ccc1-c1nn[nH]n1 ZINC000823635510 606645438 /nfs/dbraw/zinc/64/54/38/606645438.db2.gz ZEWYLVBVKCEIDN-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225106 675738395 /nfs/dbraw/zinc/73/83/95/675738395.db2.gz XXQMIUGUUDDDHX-GOEBONIOSA-N 1 0 329.404 2.318 20 5 EEBDRO Cc1ncsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021860015 676524446 /nfs/dbraw/zinc/52/44/46/676524446.db2.gz HIZBNSBWQDZADC-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000891386253 676537944 /nfs/dbraw/zinc/53/79/44/676537944.db2.gz VQFOHDAIIATEDO-JQWIXIFHSA-N 1 0 342.346 2.200 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021949521 676559471 /nfs/dbraw/zinc/55/94/71/676559471.db2.gz YXBIEUPHFBKQRO-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000891605935 676715242 /nfs/dbraw/zinc/71/52/42/676715242.db2.gz CFSDQJPPGNDIQF-CQSZACIVSA-N 1 0 334.420 2.215 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892269827 678488906 /nfs/dbraw/zinc/48/89/06/678488906.db2.gz ARYWLIDNEXUFJV-UHFFFAOYSA-N 1 0 348.378 2.175 20 5 EEBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000892479226 680053226 /nfs/dbraw/zinc/05/32/26/680053226.db2.gz WLYCHHDFKSXGBW-AWEZNQCLSA-N 1 0 334.420 2.481 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892590317 681884142 /nfs/dbraw/zinc/88/41/42/681884142.db2.gz ANIMJZAJXLTFJD-RBVVOMGSSA-N 1 0 346.431 2.309 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983647854 683049484 /nfs/dbraw/zinc/04/94/84/683049484.db2.gz DXWOSCRWGWLLFU-CNVPUSNMSA-N 1 0 343.836 2.051 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655167 683081535 /nfs/dbraw/zinc/08/15/35/683081535.db2.gz QQJGNPYLTZSPJF-DGCUDZEOSA-N 1 0 343.427 2.214 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1(F)CCCC1 ZINC001025837403 683336574 /nfs/dbraw/zinc/33/65/74/683336574.db2.gz BIVIAYRRHWAJAG-ZSHCYNCHSA-N 1 0 347.390 2.424 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC000983984729 683914213 /nfs/dbraw/zinc/91/42/13/683914213.db2.gz NAYCYDXXYBUUQG-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cocn2)CC1 ZINC000985329446 686339711 /nfs/dbraw/zinc/33/97/11/686339711.db2.gz GDNPNPKJMRQXJI-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125192805 686929459 /nfs/dbraw/zinc/92/94/59/686929459.db2.gz ATHDGMPBJCVPHG-NXEZZACHSA-N 1 0 347.824 2.105 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1c1cc[nH+]cc1 ZINC000893447871 687607660 /nfs/dbraw/zinc/60/76/60/687607660.db2.gz LZOKHOZPHXNZRH-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644926 1196466324 /nfs/dbraw/zinc/46/63/24/1196466324.db2.gz OCHOWVMTZHTPQI-KLHDSHLOSA-N 1 0 335.448 2.249 20 5 EEBDRO CCc1c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1C ZINC001133840129 1199111200 /nfs/dbraw/zinc/11/12/00/1199111200.db2.gz PZRSAUMEGIQYFZ-UHFFFAOYSA-N 1 0 336.417 2.077 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876718258 1199737417 /nfs/dbraw/zinc/73/74/17/1199737417.db2.gz QNDMWEMDIAQHEY-SFHVURJKSA-N 1 0 348.447 2.100 20 5 EEBDRO C[N@@H+]1CC[C@](O)(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811490933 1200084161 /nfs/dbraw/zinc/08/41/61/1200084161.db2.gz WFGOBGUQKNIIFJ-ZDUSSCGKSA-N 1 0 334.203 2.058 20 5 EEBDRO CC[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000879313590 1200990393 /nfs/dbraw/zinc/99/03/93/1200990393.db2.gz MLSLCPMKEPVGOK-MRXNPFEDSA-N 1 0 339.367 2.299 20 5 EEBDRO C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCCOC2)O1 ZINC000794903576 1201451773 /nfs/dbraw/zinc/45/17/73/1201451773.db2.gz UWFYAUODYKYSJL-CXAGYDPISA-N 1 0 346.387 2.172 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCOCC1 ZINC000866266085 1201480175 /nfs/dbraw/zinc/48/01/75/1201480175.db2.gz ALHPXRHGKZKHAQ-ZDUSSCGKSA-N 1 0 339.411 2.365 20 5 EEBDRO Cc1ccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000867995337 1201722598 /nfs/dbraw/zinc/72/25/98/1201722598.db2.gz AEASBYTVUZCKCU-IBGZPJMESA-N 1 0 339.395 2.451 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882046337 1201807865 /nfs/dbraw/zinc/80/78/65/1201807865.db2.gz SXPPDZCIUILQTP-LBPRGKRZSA-N 1 0 326.372 2.066 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000882726441 1201928920 /nfs/dbraw/zinc/92/89/20/1201928920.db2.gz UQPHPTGMZVWGSH-GFCCVEGCSA-N 1 0 340.811 2.381 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]CCN(C)OC)o2)c([N+](=O)[O-])c1 ZINC000883172555 1202025361 /nfs/dbraw/zinc/02/53/61/1202025361.db2.gz LHGYGAXQIMVUAK-UHFFFAOYSA-N 1 0 335.360 2.446 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000800168611 1202215830 /nfs/dbraw/zinc/21/58/30/1202215830.db2.gz JARGFQSWPOMPCH-UHFFFAOYSA-N 1 0 345.355 2.491 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890069025 1204776099 /nfs/dbraw/zinc/77/60/99/1204776099.db2.gz OMXYKCBVGUUIKI-UHFFFAOYSA-N 1 0 347.415 2.406 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000010138983 1205710939 /nfs/dbraw/zinc/71/09/39/1205710939.db2.gz MBCLZXFWODQYMO-MRXNPFEDSA-N 1 0 346.362 2.349 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777794876 1206487161 /nfs/dbraw/zinc/48/71/61/1206487161.db2.gz DBPDTRRDJLUAJN-JTQLQIEISA-N 1 0 349.416 2.204 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000930768499 1206581506 /nfs/dbraw/zinc/58/15/06/1206581506.db2.gz HXIYEWMQVPDHAG-MFKMUULPSA-N 1 0 334.376 2.208 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000931045422 1206602468 /nfs/dbraw/zinc/60/24/68/1206602468.db2.gz PWHKMFKYWWHYDW-IINYFYTJSA-N 1 0 340.811 2.211 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000932500982 1207617396 /nfs/dbraw/zinc/61/73/96/1207617396.db2.gz OTSIJSRRWBYGHD-PSASIEDQSA-N 1 0 332.303 2.329 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(F)c1 ZINC000778105865 1207642804 /nfs/dbraw/zinc/64/28/04/1207642804.db2.gz JNYNGMOPGUBPTD-YOEHRIQHSA-N 1 0 334.347 2.308 20 5 EEBDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934236293 1207928637 /nfs/dbraw/zinc/92/86/37/1207928637.db2.gz KSLQGLXFAFBRFR-ZDUSSCGKSA-N 1 0 328.372 2.173 20 5 EEBDRO COC(=O)CC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000112959018 1226369707 /nfs/dbraw/zinc/36/97/07/1226369707.db2.gz YVCOSKHCRKIJKF-UHFFFAOYSA-N 1 0 347.375 2.084 20 5 EEBDRO CC[NH+]1CCC(N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000112964060 1226380619 /nfs/dbraw/zinc/38/06/19/1226380619.db2.gz MUVIZAHQGGWEOQ-UHFFFAOYSA-N 1 0 332.404 2.400 20 5 EEBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119994986 1229646694 /nfs/dbraw/zinc/64/66/94/1229646694.db2.gz MSAUDEWTQBZDRL-KBPBESRZSA-N 1 0 348.447 2.456 20 5 EEBDRO CC[NH+]1CCC(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000902342030 1237427850 /nfs/dbraw/zinc/42/78/50/1237427850.db2.gz ICCRFMSATXBYGC-UHFFFAOYSA-N 1 0 339.367 2.022 20 5 EEBDRO Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001000674473 1240707824 /nfs/dbraw/zinc/70/78/24/1240707824.db2.gz PAHOVVOTVVZXPJ-NVXWUHKLSA-N 1 0 347.390 2.048 20 5 EEBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000827105174 1249941257 /nfs/dbraw/zinc/94/12/57/1249941257.db2.gz HOUYKOTVYSHINE-IINYFYTJSA-N 1 0 341.795 2.006 20 5 EEBDRO O=C(N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1)C12CC[NH+](CC1)C2 ZINC001057349132 1243401863 /nfs/dbraw/zinc/40/18/63/1243401863.db2.gz NUIUGESEAGVCLJ-UHFFFAOYSA-N 1 0 344.415 2.094 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097091566 1243690146 /nfs/dbraw/zinc/69/01/46/1243690146.db2.gz RCVJIVHKVCLCNJ-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCN(c1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC001101381788 1245743192 /nfs/dbraw/zinc/74/31/92/1245743192.db2.gz FQEVBBWLLFFSLK-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCCC[NH+]1CCCC1 ZINC001101663913 1246096232 /nfs/dbraw/zinc/09/62/32/1246096232.db2.gz CEAHVLXROSNQTJ-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO CCc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001135162461 1278182952 /nfs/dbraw/zinc/18/29/52/1278182952.db2.gz BTUUVJFLUUFSJR-UHFFFAOYSA-N 1 0 338.389 2.035 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000931036092 1276898634 /nfs/dbraw/zinc/89/86/34/1276898634.db2.gz BLIPOLLDPMAGBO-DGCLKSJQSA-N 1 0 331.376 2.169 20 5 EEBDRO [NH3+]C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000851657611 1277705013 /nfs/dbraw/zinc/70/50/13/1277705013.db2.gz HQURXYAPHBMQHH-UHFFFAOYSA-N 1 0 326.784 2.319 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000701116255 1277774749 /nfs/dbraw/zinc/77/47/49/1277774749.db2.gz MHZCNTGQOHWSBR-SECBINFHSA-N 1 0 342.193 2.311 20 5 EEBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000721967649 1277787913 /nfs/dbraw/zinc/78/79/13/1277787913.db2.gz LISYNCZAQOWSLU-LLVKDONJSA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C[N@@H+](C)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001110383736 1279179612 /nfs/dbraw/zinc/17/96/12/1279179612.db2.gz XDGDGCVTMSMMHW-UHFFFAOYSA-N 1 0 346.431 2.448 20 5 EEBDRO C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001110451803 1282248517 /nfs/dbraw/zinc/24/85/17/1282248517.db2.gz VWMOBHUDLIOMIU-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001217957237 1297535660 /nfs/dbraw/zinc/53/56/60/1297535660.db2.gz GGAMJWGXGHUQEI-OTSSQURYSA-N 1 0 348.140 2.329 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218016480 1297548617 /nfs/dbraw/zinc/54/86/17/1297548617.db2.gz GTAMCGOIUWLEFK-GWCFXTLKSA-N 1 0 326.324 2.239 20 5 EEBDRO Cc1nc(O[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001218484121 1297677082 /nfs/dbraw/zinc/67/70/82/1297677082.db2.gz OYFGOSXZQBCQFT-HQJQHLMTSA-N 1 0 330.182 2.438 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001101889996 1299990349 /nfs/dbraw/zinc/99/03/49/1299990349.db2.gz BMRJIEVHNYGFHN-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO COC(=O)Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001226214181 1301304103 /nfs/dbraw/zinc/30/41/03/1301304103.db2.gz KODFZGUTIFUSEM-BTTYYORXSA-N 1 0 334.372 2.314 20 5 EEBDRO C[NH+](C)C1CCC(Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229364840 1302748459 /nfs/dbraw/zinc/74/84/59/1302748459.db2.gz MRLAHLZJTKNDGP-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO C[C@@H](c1cccc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1)[NH+](C)C ZINC001229629034 1302900892 /nfs/dbraw/zinc/90/08/92/1302900892.db2.gz ZFQLMNGBXUIHCL-FZMZJTMJSA-N 1 0 332.360 2.254 20 5 EEBDRO Cc1ccnc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC001103455884 1302986261 /nfs/dbraw/zinc/98/62/61/1302986261.db2.gz QKWIJXSTZZMUML-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH+]1CCCC1 ZINC000780584080 1303675973 /nfs/dbraw/zinc/67/59/73/1303675973.db2.gz ZESDKTHFFXKMCT-QWHCGFSZSA-N 1 0 349.416 2.147 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769023 1303699907 /nfs/dbraw/zinc/69/99/07/1303699907.db2.gz VURLEUZPHJISFV-YOEHRIQHSA-N 1 0 343.431 2.492 20 5 EEBDRO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC001231264594 1303710796 /nfs/dbraw/zinc/71/07/96/1303710796.db2.gz SJBYLNQXVMCTIH-JOCQHMNTSA-N 1 0 337.376 2.026 20 5 EEBDRO c1nnc2n1CC[N@@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232218908 1304041917 /nfs/dbraw/zinc/04/19/17/1304041917.db2.gz PIRGLAQKYRWCLJ-UHFFFAOYSA-N 1 0 330.395 2.433 20 5 EEBDRO C/C=C(\C)C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001115473449 1305183017 /nfs/dbraw/zinc/18/30/17/1305183017.db2.gz ZFDABJVABADTNR-YIXHJXPBSA-N 1 0 349.435 2.203 20 5 EEBDRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001118003523 1306239086 /nfs/dbraw/zinc/23/90/86/1306239086.db2.gz BWGOHJHSXXFCHF-PYWTVGQWSA-N 1 0 343.427 2.354 20 5 EEBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001122823292 1310402630 /nfs/dbraw/zinc/40/26/30/1310402630.db2.gz WJIOWHAQOWZUDQ-ZDUSSCGKSA-N 1 0 338.456 2.192 20 5 EEBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCc3cccc([N+](=O)[O-])c3)C[N@@H+]2C1 ZINC001123677503 1310673419 /nfs/dbraw/zinc/67/34/19/1310673419.db2.gz KJLHQOZLSCLRLB-KBMXLJTQSA-N 1 0 331.416 2.374 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc21 ZINC001160740496 1320254679 /nfs/dbraw/zinc/25/46/79/1320254679.db2.gz OMOYVTROUBTYAT-SFYZADRCSA-N 1 0 329.282 2.423 20 5 EEBDRO Cc1cnc(NC2(Cc3ccccn3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001161491541 1320516683 /nfs/dbraw/zinc/51/66/83/1320516683.db2.gz NCCXBOKGDQYUBY-UHFFFAOYSA-N 1 0 327.388 2.470 20 5 EEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C1 ZINC000839694844 1315234899 /nfs/dbraw/zinc/23/48/99/1315234899.db2.gz SQSSQSXSBVADTN-APHBMKBZSA-N 1 0 333.388 2.011 20 5 EEBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000840185066 1315320979 /nfs/dbraw/zinc/32/09/79/1315320979.db2.gz OAPGZSLLPCACEZ-KRWDZBQOSA-N 1 0 346.387 2.486 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162308 1315493434 /nfs/dbraw/zinc/49/34/34/1315493434.db2.gz TUHCGTKHXQENTG-ZETCQYMHSA-N 1 0 331.170 2.216 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841855220 1315624754 /nfs/dbraw/zinc/62/47/54/1315624754.db2.gz IMGUQTIAMZCTBD-UWVGGRQHSA-N 1 0 326.784 2.127 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000843114353 1315846123 /nfs/dbraw/zinc/84/61/23/1315846123.db2.gz RMRGEKQRXYXWIG-SJLPKXTDSA-N 1 0 330.384 2.212 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843377568 1315903739 /nfs/dbraw/zinc/90/37/39/1315903739.db2.gz CFUHTVVGRYKAAY-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO O=C(Cc1ccccc1F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149697519 1316017858 /nfs/dbraw/zinc/01/78/58/1316017858.db2.gz APTNWXJPZVRVSW-UHFFFAOYSA-N 1 0 331.347 2.182 20 5 EEBDRO O=C(COc1ccc(F)cc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150690198 1316343812 /nfs/dbraw/zinc/34/38/12/1316343812.db2.gz DUNIQDQFVZMBMV-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001154985413 1317410643 /nfs/dbraw/zinc/41/06/43/1317410643.db2.gz SLGXXPUVLHNECF-OAHLLOKOSA-N 1 0 342.399 2.424 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001155117882 1317463571 /nfs/dbraw/zinc/46/35/71/1317463571.db2.gz JBFIFTYLBWBBKN-HNNXBMFYSA-N 1 0 340.355 2.060 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001155228004 1317512615 /nfs/dbraw/zinc/51/26/15/1317512615.db2.gz WHRQQMISXXYDPQ-LLVKDONJSA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155267691 1317532261 /nfs/dbraw/zinc/53/22/61/1317532261.db2.gz CUYPYZAKGSWJSX-UHFFFAOYSA-N 1 0 334.763 2.139 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)n1 ZINC001155571466 1317655724 /nfs/dbraw/zinc/65/57/24/1317655724.db2.gz SYMZSLAUMGDZAU-SNVBAGLBSA-N 1 0 334.357 2.094 20 5 EEBDRO COC(=O)C1(Nc2ccc3ccc4cccnc4c3n2)CC[NH2+]CC1 ZINC001156529463 1318056572 /nfs/dbraw/zinc/05/65/72/1318056572.db2.gz SISJZZPRXRXAJH-UHFFFAOYSA-N 1 0 336.395 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCCO3)CC2)cc1 ZINC001254464267 1318080626 /nfs/dbraw/zinc/08/06/26/1318080626.db2.gz DKFHRNXTQLHDSW-UHFFFAOYSA-N 1 0 334.420 2.181 20 5 EEBDRO Cc1nc(CC[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001254474458 1318082207 /nfs/dbraw/zinc/08/22/07/1318082207.db2.gz QXQJLCJUPMVQHK-UHFFFAOYSA-N 1 0 345.403 2.430 20 5 EEBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001156575467 1318082873 /nfs/dbraw/zinc/08/28/73/1318082873.db2.gz COVHCTRQFJKURG-UHFFFAOYSA-N 1 0 335.364 2.210 20 5 EEBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560122 1318120727 /nfs/dbraw/zinc/12/07/27/1318120727.db2.gz PJDLTKWJUZTLIY-GDBMZVCRSA-N 1 0 349.431 2.143 20 5 EEBDRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254572185 1318126254 /nfs/dbraw/zinc/12/62/54/1318126254.db2.gz JHVXAQXPHDLYLC-HUUCEWRRSA-N 1 0 325.368 2.310 20 5 EEBDRO O=C(NCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254571856 1318126715 /nfs/dbraw/zinc/12/67/15/1318126715.db2.gz CHKXLKUXYPOEDP-INIZCTEOSA-N 1 0 325.368 2.082 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581990 1318131652 /nfs/dbraw/zinc/13/16/52/1318131652.db2.gz RKJOKWJVJRYHQI-HZPDHXFCSA-N 1 0 325.368 2.288 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(CC3CCOCC3)C1)C2 ZINC001254583997 1318133104 /nfs/dbraw/zinc/13/31/04/1318133104.db2.gz FROYETZRKMIDSL-QZTJIDSGSA-N 1 0 345.443 2.153 20 5 EEBDRO O=C(C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCC1 ZINC001254601303 1318140827 /nfs/dbraw/zinc/14/08/27/1318140827.db2.gz XQUSUWDCRYGUCO-SFHVURJKSA-N 1 0 343.427 2.396 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC[C@@](F)(C[NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001157816344 1318881678 /nfs/dbraw/zinc/88/16/78/1318881678.db2.gz ACZKKTKFDQMFRH-MRXNPFEDSA-N 1 0 331.351 2.237 20 5 EEBDRO Cc1c[nH+]ccc1N1CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001158103900 1319017215 /nfs/dbraw/zinc/01/72/15/1319017215.db2.gz DUJXCLRNMKFOEW-UHFFFAOYSA-N 1 0 348.794 2.377 20 5 EEBDRO Cc1cc(N(c2ncc(F)cc2[N+](=O)[O-])C2CC[NH2+]CC2)nc(C)n1 ZINC001158388521 1319215095 /nfs/dbraw/zinc/21/50/95/1319215095.db2.gz UANUFGZPAYZLGK-UHFFFAOYSA-N 1 0 346.366 2.426 20 5 EEBDRO CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159060650 1319586344 /nfs/dbraw/zinc/58/63/44/1319586344.db2.gz SYXCHFKPGAOVBI-UHFFFAOYSA-N 1 0 327.694 2.231 20 5 EEBDRO Nc1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159567701 1319893214 /nfs/dbraw/zinc/89/32/14/1319893214.db2.gz IVVJIBDSFDBTEI-UHFFFAOYSA-N 1 0 327.388 2.326 20 5 EEBDRO COc1cc(NCc2ccccc2N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001160109480 1320072334 /nfs/dbraw/zinc/07/23/34/1320072334.db2.gz JXVOSRPIPYSACV-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO COc1ccc(C2(Nc3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)cc1 ZINC001161264857 1320438536 /nfs/dbraw/zinc/43/85/36/1320438536.db2.gz YQIDFDVCPUCHOY-UHFFFAOYSA-N 1 0 341.371 2.181 20 5 EEBDRO Cc1cc(NCCN2CCC([NH3+])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001161867112 1320653922 /nfs/dbraw/zinc/65/39/22/1320653922.db2.gz KVKHIGNFVAILGN-UHFFFAOYSA-N 1 0 329.404 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2nnc3n2CCC[NH2+]C3)c2ccccc21 ZINC001163022227 1321017716 /nfs/dbraw/zinc/01/77/16/1321017716.db2.gz ROZUFJNZPMCJSN-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)n1 ZINC001163131201 1321046533 /nfs/dbraw/zinc/04/65/33/1321046533.db2.gz PJRZCGMMFHIWEM-UHFFFAOYSA-N 1 0 349.822 2.498 20 5 EEBDRO CCOC(=O)c1ccc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001163134038 1321047612 /nfs/dbraw/zinc/04/76/12/1321047612.db2.gz ILESGNGIZISBKR-UHFFFAOYSA-N 1 0 346.343 2.017 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163281400 1321087108 /nfs/dbraw/zinc/08/71/08/1321087108.db2.gz WYOJHVDWEMHYKA-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163284557 1321087993 /nfs/dbraw/zinc/08/79/93/1321087993.db2.gz MGDSIBANYBAPRZ-MEDUHNTESA-N 1 0 331.376 2.042 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C[NH3+])c1ccccc1 ZINC001163297923 1321090765 /nfs/dbraw/zinc/09/07/65/1321090765.db2.gz PSQZCMRMYAIWDX-CQSZACIVSA-N 1 0 330.344 2.278 20 5 EEBDRO CCOC(=O)c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163334193 1321100531 /nfs/dbraw/zinc/10/05/31/1321100531.db2.gz VMZLDPPTAYCGCV-CXAGYDPISA-N 1 0 349.387 2.095 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H](C)C1 ZINC001163366705 1321106420 /nfs/dbraw/zinc/10/64/20/1321106420.db2.gz WJEHZYBPBZIMER-ZYHUDNBSSA-N 1 0 328.800 2.412 20 5 EEBDRO O=[N+]([O-])c1cc(Br)nc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163392787 1321113953 /nfs/dbraw/zinc/11/39/53/1321113953.db2.gz FRYRJCNUYNEIKD-JTQLQIEISA-N 1 0 327.182 2.258 20 5 EEBDRO COc1nc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC001165122674 1321459017 /nfs/dbraw/zinc/45/90/17/1321459017.db2.gz KDIBLTJUPMTCRL-UHFFFAOYSA-N 1 0 340.383 2.321 20 5 EEBDRO Cc1c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001166155983 1321665915 /nfs/dbraw/zinc/66/59/15/1321665915.db2.gz PNVJKOROZZZWJR-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO [NH3+][C@@H]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1(F)F ZINC001166959015 1321825663 /nfs/dbraw/zinc/82/56/63/1321825663.db2.gz PBTVIMPAEHPLOJ-CYBMUJFWSA-N 1 0 335.314 2.225 20 5 EEBDRO Cc1cnc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)c([N+](=O)[O-])c1 ZINC001166990812 1321832901 /nfs/dbraw/zinc/83/29/01/1321832901.db2.gz BBGIXOVGGJCWPJ-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])c1 ZINC001308030578 1331560303 /nfs/dbraw/zinc/56/03/03/1331560303.db2.gz HLVTYLHQPLUAKZ-WBVHZDCISA-N 1 0 349.387 2.233 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC001319849729 1332783822 /nfs/dbraw/zinc/78/38/22/1332783822.db2.gz HNXVTEUMQITKIE-CYBMUJFWSA-N 1 0 335.795 2.350 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001320495497 1332897244 /nfs/dbraw/zinc/89/72/44/1332897244.db2.gz KUYPJDJBSSUAER-LBPRGKRZSA-N 1 0 329.360 2.399 20 5 EEBDRO CC1(C)CCC[N@H+](CCNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001609145584 1351860664 /nfs/dbraw/zinc/86/06/64/1351860664.db2.gz SSPSHBHTYRXYKS-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324544302 1333705366 /nfs/dbraw/zinc/70/53/66/1333705366.db2.gz PCUQSKJQPHYSMK-INIZCTEOSA-N 1 0 335.404 2.011 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1C ZINC001609165092 1351872431 /nfs/dbraw/zinc/87/24/31/1351872431.db2.gz DALREVFHDVRJBR-NWDGAFQWSA-N 1 0 345.407 2.450 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001326310591 1334065398 /nfs/dbraw/zinc/06/53/98/1334065398.db2.gz FUVROEPZPJCQLU-GFCCVEGCSA-N 1 0 340.811 2.390 20 5 EEBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001335312844 1336362784 /nfs/dbraw/zinc/36/27/84/1336362784.db2.gz BXWZPDTVPGEDSX-MRXNPFEDSA-N 1 0 344.367 2.327 20 5 EEBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001338210818 1336817085 /nfs/dbraw/zinc/81/70/85/1336817085.db2.gz XFIYRUTYDVJGAI-UHFFFAOYSA-N 1 0 346.391 2.048 20 5 EEBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001338417807 1336858189 /nfs/dbraw/zinc/85/81/89/1336858189.db2.gz HWYVDXCFQLQCJA-KRWDZBQOSA-N 1 0 345.399 2.345 20 5 EEBDRO Cc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C)cc([N+](=O)[O-])c1 ZINC001339904161 1337093661 /nfs/dbraw/zinc/09/36/61/1337093661.db2.gz VLSKQQGBXPBRRZ-UHFFFAOYSA-N 1 0 344.419 2.229 20 5 EEBDRO COC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001340963166 1337270441 /nfs/dbraw/zinc/27/04/41/1337270441.db2.gz RYGUKGMHVLJCBL-UHFFFAOYSA-N 1 0 337.376 2.115 20 5 EEBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC001341776979 1337298451 /nfs/dbraw/zinc/29/84/51/1337298451.db2.gz DPMRJFDKTMHQRQ-CVEARBPZSA-N 1 0 329.400 2.300 20 5 EEBDRO C[C@@H](COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCCC1 ZINC000847964091 1338407198 /nfs/dbraw/zinc/40/71/98/1338407198.db2.gz WSYSYJXRUKVWNZ-NSHDSACASA-N 1 0 336.344 2.355 20 5 EEBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001356473387 1338823330 /nfs/dbraw/zinc/82/33/30/1338823330.db2.gz SIBGIWMLGLBHCP-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC001575690489 1343856039 /nfs/dbraw/zinc/85/60/39/1343856039.db2.gz YONVGXWRSIDHHQ-CHWSQXEVSA-N 1 0 327.331 2.172 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576016995 1343945861 /nfs/dbraw/zinc/94/58/61/1343945861.db2.gz KYLXVAKIQJYVPH-MJBXVCDLSA-N 1 0 334.420 2.325 20 5 EEBDRO CC1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001576434224 1344015342 /nfs/dbraw/zinc/01/53/42/1344015342.db2.gz QQFYOEUUQVFICY-UHFFFAOYSA-N 1 0 330.392 2.191 20 5 EEBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001578675482 1344293869 /nfs/dbraw/zinc/29/38/69/1344293869.db2.gz OUUZHAGRQYHRSP-AWEZNQCLSA-N 1 0 335.404 2.137 20 5 EEBDRO C[NH2+]CC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001578676677 1344294167 /nfs/dbraw/zinc/29/41/67/1344294167.db2.gz KHCRTIZLEGGZJM-CQSZACIVSA-N 1 0 334.420 2.306 20 5 EEBDRO CO[C@@](C)([C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578896670 1344315644 /nfs/dbraw/zinc/31/56/44/1344315644.db2.gz DYERBRNSKPCKCD-JECHBYEQSA-N 1 0 335.404 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001579642742 1344402341 /nfs/dbraw/zinc/40/23/41/1344402341.db2.gz TYQXIVIUHNAZJE-LLVKDONJSA-N 1 0 327.344 2.022 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001580570295 1344538912 /nfs/dbraw/zinc/53/89/12/1344538912.db2.gz XINBMNCHTCXPJU-HIFRSBDPSA-N 1 0 335.379 2.267 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)cs1 ZINC001593472894 1349807393 /nfs/dbraw/zinc/80/73/93/1349807393.db2.gz CBXGHMWXGXPVJM-CYBMUJFWSA-N 1 0 342.384 2.093 20 5 EEBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605724735 1351217784 /nfs/dbraw/zinc/21/77/84/1351217784.db2.gz PTYOKNSQWARGFD-UHFFFAOYSA-N 1 0 345.407 2.368 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001607083713 1351411282 /nfs/dbraw/zinc/41/12/82/1351411282.db2.gz MJJYURBJWSPKJY-LBPRGKRZSA-N 1 0 328.376 2.397 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1=CCCOC1 ZINC000852518085 1369278624 /nfs/dbraw/zinc/27/86/24/1369278624.db2.gz CSVWPMJOBSEMAP-UHFFFAOYSA-N 1 0 337.351 2.341 20 5 EEBDRO CCC(=O)c1ccc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829019407 1372262106 /nfs/dbraw/zinc/26/21/06/1372262106.db2.gz HLRNLUANULEZJN-BETUJISGSA-N 1 0 335.404 2.079 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000829126759 1372269170 /nfs/dbraw/zinc/26/91/70/1372269170.db2.gz MJCZHSDUCFHWHF-ZDUSSCGKSA-N 1 0 332.404 2.400 20 5 EEBDRO C[C@@H](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000829127582 1372269386 /nfs/dbraw/zinc/26/93/86/1372269386.db2.gz YFIRAJMJGQKRRJ-BBRMVZONSA-N 1 0 335.404 2.009 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC001341926952 1372938711 /nfs/dbraw/zinc/93/87/11/1372938711.db2.gz PPVABVPQNDBHRY-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000848622072 1373162230 /nfs/dbraw/zinc/16/22/30/1373162230.db2.gz QZDNLKOQFKCFPX-SJCJKPOMSA-N 1 0 343.387 2.490 20 5 EEBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC001575115806 1403533373 /nfs/dbraw/zinc/53/33/73/1403533373.db2.gz KLKUGJUYSJWMCF-CYBMUJFWSA-N 1 0 347.462 2.042 20 5 EEBDRO CC1(C)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1[NH3+] ZINC001576452831 1403574647 /nfs/dbraw/zinc/57/46/47/1403574647.db2.gz GQRKAWBIQXPTAI-NSHDSACASA-N 1 0 344.318 2.397 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC001577887073 1403690642 /nfs/dbraw/zinc/69/06/42/1403690642.db2.gz GXPDBVVYHQWVIF-LLVKDONJSA-N 1 0 341.433 2.061 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001578340572 1403741770 /nfs/dbraw/zinc/74/17/70/1403741770.db2.gz SMTAXMMHWICPEJ-UONOGXRCSA-N 1 0 333.367 2.190 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001578422864 1403752006 /nfs/dbraw/zinc/75/20/06/1403752006.db2.gz JJIVCVYEOKXZSL-MFKMUULPSA-N 1 0 338.383 2.047 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164642503 719202210 /nfs/dbraw/zinc/20/22/10/719202210.db2.gz WAZMNJJEVHNCSB-GHMZBOCLSA-N 1 0 331.376 2.075 20 5 EEBDRO COc1cc2ncnc(N3CCC[C@@H]([NH+](C)C)C3)c2cc1[N+](=O)[O-] ZINC001165040279 721891772 /nfs/dbraw/zinc/89/17/72/721891772.db2.gz UNZVIQDMVJCNOT-LLVKDONJSA-N 1 0 331.376 2.077 20 5 EEBDRO COC(=O)[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC[N@H+](C)C1 ZINC000840360796 782563985 /nfs/dbraw/zinc/56/39/85/782563985.db2.gz OWCFODDMQMNIJV-LLVKDONJSA-N 1 0 341.795 2.098 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001106979164 782745292 /nfs/dbraw/zinc/74/52/92/782745292.db2.gz GMLIPQUXNPXJDZ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC[NH+]1CCSCC1 ZINC001167839764 777107240 /nfs/dbraw/zinc/10/72/40/777107240.db2.gz SNXORLLCXYEUQR-UHFFFAOYSA-N 1 0 339.417 2.151 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1occ2c1CCC2 ZINC001131851590 783355185 /nfs/dbraw/zinc/35/51/85/783355185.db2.gz YMZVFYUFZMKFNR-UHFFFAOYSA-N 1 0 335.385 2.258 20 5 EEBDRO COCC(=O)N1CCC2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035143544 783892000 /nfs/dbraw/zinc/89/20/00/783892000.db2.gz DOJQGGVSBXABLD-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000818988351 785353762 /nfs/dbraw/zinc/35/37/62/785353762.db2.gz IVPZLPXOLXDXAN-MRXNPFEDSA-N 1 0 335.404 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000819110538 785429063 /nfs/dbraw/zinc/42/90/63/785429063.db2.gz DGHPEIMIBBZRLQ-MRXNPFEDSA-N 1 0 331.328 2.369 20 5 EEBDRO CN1Cc2ccccc2[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190869 785455633 /nfs/dbraw/zinc/45/56/33/785455633.db2.gz LMOLEUDGVGIDTB-MSOLQXFVSA-N 1 0 327.384 2.405 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OC1CCCCC1 ZINC000819294236 785489035 /nfs/dbraw/zinc/48/90/35/785489035.db2.gz IQWODFOOHMXJMT-MRXNPFEDSA-N 1 0 336.388 2.484 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000996430106 786397083 /nfs/dbraw/zinc/39/70/83/786397083.db2.gz ZRUVBPNJVOJZSJ-UKRRQHHQSA-N 1 0 337.807 2.086 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129295616 786426549 /nfs/dbraw/zinc/42/65/49/786426549.db2.gz VTFPWFKFJPSRFN-CQSZACIVSA-N 1 0 339.367 2.298 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000805753731 786439809 /nfs/dbraw/zinc/43/98/09/786439809.db2.gz RVPGTHRLUMMQJG-MSOLQXFVSA-N 1 0 343.383 2.314 20 5 EEBDRO Cc1nc(NC/C=C\CNC(=O)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107269176 786667768 /nfs/dbraw/zinc/66/77/68/786667768.db2.gz KCOOPLZMDYTHRH-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911678704 787631084 /nfs/dbraw/zinc/63/10/84/787631084.db2.gz UBDUIRSZHNRXGJ-SJORKVTESA-N 1 0 329.400 2.441 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@](C)(O)c1ccccc1 ZINC000823605378 787829291 /nfs/dbraw/zinc/82/92/91/787829291.db2.gz JPSGNARKVXQPAO-ZWKOTPCHSA-N 1 0 330.384 2.468 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003011 787996202 /nfs/dbraw/zinc/99/62/02/787996202.db2.gz LHWPEFIQFRMKHE-VXGBXAGGSA-N 1 0 335.408 2.419 20 5 EEBDRO Cc1ccc(NCC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000922924584 788340701 /nfs/dbraw/zinc/34/07/01/788340701.db2.gz FCQBOVYHJRPVFI-UHFFFAOYSA-N 1 0 344.371 2.271 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1nccc1[N+](=O)[O-] ZINC000156491938 789122572 /nfs/dbraw/zinc/12/25/72/789122572.db2.gz PGYCKIZBIVBVJH-OAHLLOKOSA-N 1 0 329.404 2.345 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000923353024 789432459 /nfs/dbraw/zinc/43/24/59/789432459.db2.gz YVMQXFVHMZMTSW-ZWKOTPCHSA-N 1 0 345.374 2.414 20 5 EEBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c(=O)n(C)c3)c2c1 ZINC001171163279 789584235 /nfs/dbraw/zinc/58/42/35/789584235.db2.gz AGWKRXNNCBJHBS-LBPRGKRZSA-N 1 0 340.383 2.436 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(-n2ccnc2C(N)=[NH2+])cc1[N+](=O)[O-] ZINC001168417549 791341340 /nfs/dbraw/zinc/34/13/40/791341340.db2.gz ITYRLJBWPSLPJX-UHFFFAOYSA-N 1 0 331.332 2.020 20 5 EEBDRO COCc1ccsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147738615 791938340 /nfs/dbraw/zinc/93/83/40/791938340.db2.gz GMTSZFBMRHVPHE-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001040699448 792273038 /nfs/dbraw/zinc/27/30/38/792273038.db2.gz DGSZDMBQKSQFKR-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=C(CCCc1ccccn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148585788 792571640 /nfs/dbraw/zinc/57/16/40/792571640.db2.gz LRFMBRYPWMDUDV-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1NCc1ccc(-n3cccn3)nc1)C[NH2+]C2 ZINC001171434613 795988143 /nfs/dbraw/zinc/98/81/43/795988143.db2.gz CRZRGCUKBFFHJS-UHFFFAOYSA-N 1 0 336.355 2.391 20 5 EEBDRO CC1CC[NH+](CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001094542054 796377530 /nfs/dbraw/zinc/37/75/30/796377530.db2.gz YTCZZUGQWFTZIM-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094640023 796509945 /nfs/dbraw/zinc/50/99/45/796509945.db2.gz NEXLKBBXOXWUFD-UHFFFAOYSA-N 1 0 340.399 2.382 20 5 EEBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908132 797133602 /nfs/dbraw/zinc/13/36/02/797133602.db2.gz BBMVICGUCWVMMF-ZHALLVOQSA-N 1 0 346.427 2.437 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC001173004984 797193341 /nfs/dbraw/zinc/19/33/41/797193341.db2.gz AKYLGVFETQSZNU-HUUCEWRRSA-N 1 0 341.358 2.345 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)c1F ZINC001173192782 797282807 /nfs/dbraw/zinc/28/28/07/797282807.db2.gz RBGATJHPHXZZFI-GHMZBOCLSA-N 1 0 342.367 2.415 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001173219346 797299797 /nfs/dbraw/zinc/29/97/97/797299797.db2.gz BBHGMXUTCWVREY-UKRRQHHQSA-N 1 0 327.388 2.184 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001173225514 797309584 /nfs/dbraw/zinc/30/95/84/797309584.db2.gz CWYKPLVHQLFOBU-HNNXBMFYSA-N 1 0 333.432 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(OC(F)F)c1 ZINC000785802534 806605214 /nfs/dbraw/zinc/60/52/14/806605214.db2.gz VRROXYLROFBVSY-NEPJUHHUSA-N 1 0 343.330 2.471 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccncc1 ZINC001002238911 797757483 /nfs/dbraw/zinc/75/74/83/797757483.db2.gz LVBLYVPBABGWPK-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110317210 801241453 /nfs/dbraw/zinc/24/14/53/801241453.db2.gz GEPATBQKLRNBCP-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccco1 ZINC001086012863 801931863 /nfs/dbraw/zinc/93/18/63/801931863.db2.gz SZJSBVAHAXYIOG-OKILXGFUSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001086027969 801970641 /nfs/dbraw/zinc/97/06/41/801970641.db2.gz QZIZZIODBKDWRJ-KLPPZKSPSA-N 1 0 334.401 2.283 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC001086300965 802694199 /nfs/dbraw/zinc/69/41/99/802694199.db2.gz PMEGPXXFKFCASX-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981246 803545571 /nfs/dbraw/zinc/54/55/71/803545571.db2.gz GWFKHWZMKVQWPJ-XQQFMLRXSA-N 1 0 333.388 2.156 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964643 803552236 /nfs/dbraw/zinc/55/22/36/803552236.db2.gz UTQNYFCUTFSYHH-RDBSUJKOSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC001168967081 803552873 /nfs/dbraw/zinc/55/28/73/803552873.db2.gz NAISPTGUPSOXGL-QAPCUYQASA-N 1 0 333.432 2.054 20 5 EEBDRO COc1ccnc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991585 803559102 /nfs/dbraw/zinc/55/91/02/803559102.db2.gz HTHAIYCFDBQXJC-LSDHHAIUSA-N 1 0 349.431 2.173 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCS(=O)(=O)CC2)C1 ZINC001168998104 803564060 /nfs/dbraw/zinc/56/40/60/803564060.db2.gz IFQJNFHLMJSMDP-GJZGRUSLSA-N 1 0 344.477 2.159 20 5 EEBDRO COC(=O)c1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036402 803580109 /nfs/dbraw/zinc/58/01/09/803580109.db2.gz FTUDDXFVSDUFDZ-PBHICJAKSA-N 1 0 347.415 2.041 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3nccc4occc43)CC2)C1 ZINC001169038352 803582147 /nfs/dbraw/zinc/58/21/47/803582147.db2.gz YHGBGVAUJOIEQR-UONOGXRCSA-N 1 0 330.388 2.395 20 5 EEBDRO CCC(CC)(CC)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001169314368 803685197 /nfs/dbraw/zinc/68/51/97/803685197.db2.gz UXOMPYMPBVVOJQ-UHFFFAOYSA-N 1 0 339.440 2.141 20 5 EEBDRO Nc1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000804344476 804310675 /nfs/dbraw/zinc/31/06/75/804310675.db2.gz SMWCKGCUQXASHL-UHFFFAOYSA-N 1 0 341.415 2.411 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157262746 807177123 /nfs/dbraw/zinc/17/71/23/807177123.db2.gz YCCGSDUVJNYWFP-RKDXNWHRSA-N 1 0 343.840 2.291 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([N+](=O)[O-])c1 ZINC001170340147 809914644 /nfs/dbraw/zinc/91/46/44/809914644.db2.gz DWXZOJKEGRPSSX-DAXOMENPSA-N 1 0 347.415 2.230 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC001170351420 809919784 /nfs/dbraw/zinc/91/97/84/809919784.db2.gz BYRLOGVSWHKPDX-HIFRSBDPSA-N 1 0 345.403 2.463 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351518 809920101 /nfs/dbraw/zinc/92/01/01/809920101.db2.gz CWFBHVGBXBHDGI-SWLSCSKDSA-N 1 0 335.404 2.087 20 5 EEBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000793391503 810315108 /nfs/dbraw/zinc/31/51/08/810315108.db2.gz YTAPPWMRSDWVKQ-CYBMUJFWSA-N 1 0 342.193 2.055 20 5 EEBDRO C[NH+](C)[C@]1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCSC1 ZINC000804532955 810913480 /nfs/dbraw/zinc/91/34/80/810913480.db2.gz QJNKSYPAMNOXSC-ZDUSSCGKSA-N 1 0 326.378 2.352 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1C1CC1 ZINC001130825800 812072755 /nfs/dbraw/zinc/07/27/55/812072755.db2.gz UIFKWEOVHFDSPJ-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000788416956 812588392 /nfs/dbraw/zinc/58/83/92/812588392.db2.gz NVCFMJQEQJRZKY-UHFFFAOYSA-N 1 0 336.369 2.424 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000178570234 529962038 /nfs/dbraw/zinc/96/20/38/529962038.db2.gz QYJVJQNWDMPLDY-CVEARBPZSA-N 1 0 344.367 2.400 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000178259408 232120403 /nfs/dbraw/zinc/12/04/03/232120403.db2.gz LKKMORXCSJIWER-GFCCVEGCSA-N 1 0 348.403 2.274 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1[NH+](C)C ZINC000421790007 240024917 /nfs/dbraw/zinc/02/49/17/240024917.db2.gz CFQIPGJVJFMSFY-CABCVRRESA-N 1 0 337.445 2.329 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422685016 240176208 /nfs/dbraw/zinc/17/62/08/240176208.db2.gz GBQYJMSOQUALMF-JTQLQIEISA-N 1 0 329.809 2.290 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920312 283855163 /nfs/dbraw/zinc/85/51/63/283855163.db2.gz IVCVZRJDXISYGR-AWEZNQCLSA-N 1 0 333.388 2.060 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000132822698 223365573 /nfs/dbraw/zinc/36/55/73/223365573.db2.gz RNJPEWDKFVKFSC-GOEBONIOSA-N 1 0 334.420 2.478 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132861661 223368728 /nfs/dbraw/zinc/36/87/28/223368728.db2.gz YVPWNGWZAZMLFX-CQSZACIVSA-N 1 0 334.397 2.454 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262128613 291379533 /nfs/dbraw/zinc/37/95/33/291379533.db2.gz WNUBXGJLBCHKBB-CYBMUJFWSA-N 1 0 331.294 2.425 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451416857 243105165 /nfs/dbraw/zinc/10/51/65/243105165.db2.gz KVIJTQIVFOPCHK-OIISXLGYSA-N 1 0 347.415 2.467 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000245408294 243105822 /nfs/dbraw/zinc/10/58/22/243105822.db2.gz GNKIWDZOKOVZEZ-XJKSGUPXSA-N 1 0 349.431 2.074 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451493509 243133225 /nfs/dbraw/zinc/13/32/25/243133225.db2.gz QJNJNPPIBJICLJ-JLZZUVOBSA-N 1 0 345.399 2.389 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459783502 245246864 /nfs/dbraw/zinc/24/68/64/245246864.db2.gz ZWPYZHVBGPOAMV-GJZGRUSLSA-N 1 0 333.388 2.471 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000081334698 217384507 /nfs/dbraw/zinc/38/45/07/217384507.db2.gz DLAYALSCKITEDW-GFCCVEGCSA-N 1 0 345.403 2.275 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000265155564 247253482 /nfs/dbraw/zinc/25/34/82/247253482.db2.gz UNZZNPPYWRBMCR-CQSZACIVSA-N 1 0 346.431 2.400 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420259958 285088293 /nfs/dbraw/zinc/08/82/93/285088293.db2.gz NGLUADISRNACNM-LLVKDONJSA-N 1 0 345.230 2.386 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000186783228 533140313 /nfs/dbraw/zinc/14/03/13/533140313.db2.gz NANNISJBUABXIG-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO Cc1nn(C)c(NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000266183733 256020562 /nfs/dbraw/zinc/02/05/62/256020562.db2.gz ACEKADHXNKCJRI-UHFFFAOYSA-N 1 0 329.404 2.148 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCCOC)CCOC ZINC000267056151 256022276 /nfs/dbraw/zinc/02/22/76/256022276.db2.gz RWRUYGWWJWESNG-UHFFFAOYSA-N 1 0 326.393 2.478 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267231189 256040123 /nfs/dbraw/zinc/04/01/23/256040123.db2.gz JCNWPYMRLJQCDP-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO C[N@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000270778308 256171114 /nfs/dbraw/zinc/17/11/14/256171114.db2.gz GQWIHAYORCOKJS-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC[NH2+]C1 ZINC000272938404 256250868 /nfs/dbraw/zinc/25/08/68/256250868.db2.gz BQNYBJQYOWSSOD-SFHVURJKSA-N 1 0 346.431 2.315 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119130662 221250122 /nfs/dbraw/zinc/25/01/22/221250122.db2.gz AQBSFCAICXUHRY-ZDUSSCGKSA-N 1 0 331.376 2.107 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000165898738 143821158 /nfs/dbraw/zinc/82/11/58/143821158.db2.gz BZWPTUJHUOIRJA-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO CCN(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348922351 144803440 /nfs/dbraw/zinc/80/34/40/144803440.db2.gz QEWTWALCQWSFHJ-UHFFFAOYSA-N 1 0 329.404 2.411 20 5 EEBDRO COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000374312062 154045490 /nfs/dbraw/zinc/04/54/90/154045490.db2.gz QLWAULYKNQNAOV-ZBFHGGJFSA-N 1 0 348.447 2.066 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015171771 158865844 /nfs/dbraw/zinc/86/58/44/158865844.db2.gz PSBAKWUJRLZEJQ-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083025866 159160581 /nfs/dbraw/zinc/16/05/81/159160581.db2.gz BTSYEARPGGDSDU-KBPBESRZSA-N 1 0 335.404 2.214 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000341930261 161025214 /nfs/dbraw/zinc/02/52/14/161025214.db2.gz CGPROSRQXCZXMM-KRWDZBQOSA-N 1 0 347.371 2.148 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343483847 161140460 /nfs/dbraw/zinc/14/04/60/161140460.db2.gz FDHYRIHVJSVGQI-QMTHXVAHSA-N 1 0 325.796 2.390 20 5 EEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCOC2)c1 ZINC000352836564 162307085 /nfs/dbraw/zinc/30/70/85/162307085.db2.gz MTRHUNNTXMLHBA-JTQLQIEISA-N 1 0 348.140 2.078 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC=CCC1 ZINC000355528696 163221768 /nfs/dbraw/zinc/22/17/68/163221768.db2.gz HQRYMVKWQCBISN-AWEZNQCLSA-N 1 0 332.404 2.163 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000355661406 163262863 /nfs/dbraw/zinc/26/28/63/163262863.db2.gz OZYGIPJOQUNHPP-UHFFFAOYSA-N 1 0 338.408 2.301 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000357051099 163611436 /nfs/dbraw/zinc/61/14/36/163611436.db2.gz IUMIUQPEGDRRRP-UHFFFAOYSA-N 1 0 339.440 2.461 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359068753 164051132 /nfs/dbraw/zinc/05/11/32/164051132.db2.gz WQHGNFNJIRDUMY-HNNXBMFYSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256012 164269230 /nfs/dbraw/zinc/26/92/30/164269230.db2.gz XERHTMUGOLZSEZ-KBPBESRZSA-N 1 0 335.404 2.328 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCC[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000360740906 164372945 /nfs/dbraw/zinc/37/29/45/164372945.db2.gz XRAHBWSWOFXMKD-AWEZNQCLSA-N 1 0 337.420 2.277 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000369088250 166185972 /nfs/dbraw/zinc/18/59/72/166185972.db2.gz SDVLXKWZAFOVNT-AWEZNQCLSA-N 1 0 328.372 2.349 20 5 EEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250664 166221469 /nfs/dbraw/zinc/22/14/69/166221469.db2.gz MDAYOTUDJZYWIL-IAGOWNOFSA-N 1 0 330.388 2.416 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000370059827 166385484 /nfs/dbraw/zinc/38/54/84/166385484.db2.gz LGMZUANJIYKHDP-OAHLLOKOSA-N 1 0 334.351 2.301 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375739331 167182675 /nfs/dbraw/zinc/18/26/75/167182675.db2.gz ZZMPZPYXZVCWRR-GJZGRUSLSA-N 1 0 346.431 2.482 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188901479 268569117 /nfs/dbraw/zinc/56/91/17/268569117.db2.gz MVPXFGGQXSBIID-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272702240 269011027 /nfs/dbraw/zinc/01/10/27/269011027.db2.gz FWHLRFBQOPZRIZ-LBPRGKRZSA-N 1 0 348.403 2.053 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278512376 269235340 /nfs/dbraw/zinc/23/53/40/269235340.db2.gz QCDRTFXAYTWQRG-AWEZNQCLSA-N 1 0 345.403 2.096 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278969094 269254721 /nfs/dbraw/zinc/25/47/21/269254721.db2.gz BMQIURYHNSEQNK-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000279318578 269271158 /nfs/dbraw/zinc/27/11/58/269271158.db2.gz FVQDTBGOOGVPCT-GFCCVEGCSA-N 1 0 325.796 2.407 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000279770952 269304295 /nfs/dbraw/zinc/30/42/95/269304295.db2.gz BOHKCJFGEAYGNU-UHFFFAOYSA-N 1 0 341.770 2.308 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCN2CC=CCC2)c(Br)c1 ZINC000280131811 269330896 /nfs/dbraw/zinc/33/08/96/269330896.db2.gz DLCGOANPLFSVLX-UHFFFAOYSA-N 1 0 327.182 2.426 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000280683466 269385279 /nfs/dbraw/zinc/38/52/79/269385279.db2.gz AYNAOWUOKXLCKM-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1O ZINC000188943826 274034187 /nfs/dbraw/zinc/03/41/87/274034187.db2.gz HFPFDELGQUCUNU-HNNXBMFYSA-N 1 0 346.383 2.311 20 5 EEBDRO CO[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C[NH3+])C1 ZINC000415478806 274063487 /nfs/dbraw/zinc/06/34/87/274063487.db2.gz DRJNYWBBKDOINU-QWHCGFSZSA-N 1 0 336.392 2.182 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)cc1C(F)(F)F ZINC000271417380 274130640 /nfs/dbraw/zinc/13/06/40/274130640.db2.gz UPQGJGSKYGFAPI-UHFFFAOYSA-N 1 0 333.310 2.164 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000271540373 274140992 /nfs/dbraw/zinc/14/09/92/274140992.db2.gz QUVGSKIMHBIXBD-RNCFNFMXSA-N 1 0 349.309 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)cc1NCC[N@@H+]1CCCOCC1 ZINC000275423217 274246615 /nfs/dbraw/zinc/24/66/15/274246615.db2.gz HSIRUPJKZFQKPF-UHFFFAOYSA-N 1 0 344.209 2.492 20 5 EEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450797440 274368906 /nfs/dbraw/zinc/36/89/06/274368906.db2.gz SPSVUWZEQDKWCC-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO CCOC(=O)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278659120 274383377 /nfs/dbraw/zinc/38/33/77/274383377.db2.gz KIHPUOSVBMKCLS-UHFFFAOYSA-N 1 0 347.375 2.182 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987407 274824699 /nfs/dbraw/zinc/82/46/99/274824699.db2.gz XNLAIQWMXQJWAD-YPMHNXCESA-N 1 0 347.371 2.022 20 5 EEBDRO CC(=O)c1ccc(N(C)CCCN(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000289079369 275098339 /nfs/dbraw/zinc/09/83/39/275098339.db2.gz OAKPLKWJUJIGRL-UHFFFAOYSA-N 1 0 336.436 2.117 20 5 EEBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289716839 275142175 /nfs/dbraw/zinc/14/21/75/275142175.db2.gz IGHBAJMNNPSUOF-AAEUAGOBSA-N 1 0 330.331 2.312 20 5 EEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289823095 275152202 /nfs/dbraw/zinc/15/22/02/275152202.db2.gz AVHGWVHYWCXNQF-ZYHUDNBSSA-N 1 0 331.397 2.491 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000290671285 275228108 /nfs/dbraw/zinc/22/81/08/275228108.db2.gz KMLADAXEKXVRHL-GFCCVEGCSA-N 1 0 338.408 2.131 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290696219 275230757 /nfs/dbraw/zinc/23/07/57/275230757.db2.gz MXWHDXHHNKIEAR-GFCCVEGCSA-N 1 0 338.408 2.131 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C[NH+](C)C ZINC000291638875 275325314 /nfs/dbraw/zinc/32/53/14/275325314.db2.gz AYCIESJRUDNLJT-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000175067045 277030537 /nfs/dbraw/zinc/03/05/37/277030537.db2.gz LVEAAPSPNTXPJA-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000156632103 277215228 /nfs/dbraw/zinc/21/52/28/277215228.db2.gz MPXFQJUDTGGFRC-QWHCGFSZSA-N 1 0 340.383 2.452 20 5 EEBDRO CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C[NH3+])C1 ZINC000359050463 277743896 /nfs/dbraw/zinc/74/38/96/277743896.db2.gz CNYVPTNQFGXVPF-CVEARBPZSA-N 1 0 337.420 2.320 20 5 EEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[NH2+]1 ZINC000237561097 277820819 /nfs/dbraw/zinc/82/08/19/277820819.db2.gz AAUWKXPFBLJTDW-KGLIPLIRSA-N 1 0 346.431 2.020 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])CC(C)C ZINC000264889780 279147319 /nfs/dbraw/zinc/14/73/19/279147319.db2.gz JLTNWGWZWLQAFQ-GFCCVEGCSA-N 1 0 325.413 2.113 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000192941985 279179260 /nfs/dbraw/zinc/17/92/60/279179260.db2.gz BVCYTXPTDMBJSZ-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262820397 280006866 /nfs/dbraw/zinc/00/68/66/280006866.db2.gz GTLNBWQJPCXBOQ-GXTWGEPZSA-N 1 0 332.404 2.065 20 5 EEBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488715677 288264280 /nfs/dbraw/zinc/26/42/80/288264280.db2.gz QIBCBWRDLOGUDW-LBPRGKRZSA-N 1 0 332.404 2.004 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000293983410 293343118 /nfs/dbraw/zinc/34/31/18/293343118.db2.gz GQRHJJOJKCAGCW-UHFFFAOYSA-N 1 0 349.416 2.084 20 5 EEBDRO C[C@H](CCCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294849897 293560945 /nfs/dbraw/zinc/56/09/45/293560945.db2.gz RYAPUEVTVYAUET-CJNGLKHVSA-N 1 0 332.404 2.416 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000294912760 293578572 /nfs/dbraw/zinc/57/85/72/293578572.db2.gz SKVHSCHVURICQC-CQSZACIVSA-N 1 0 334.420 2.435 20 5 EEBDRO CCn1cc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000296143388 293901360 /nfs/dbraw/zinc/90/13/60/293901360.db2.gz RZIXYMZQSWFFDR-LBPRGKRZSA-N 1 0 343.387 2.051 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000296810486 294073024 /nfs/dbraw/zinc/07/30/24/294073024.db2.gz RJLKFXPNXAWSCF-WFASDCNBSA-N 1 0 344.367 2.317 20 5 EEBDRO CCN(Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161085890 311361767 /nfs/dbraw/zinc/36/17/67/311361767.db2.gz AVLSQCVKQUUZAA-GFCCVEGCSA-N 1 0 331.376 2.177 20 5 EEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162336496 311374345 /nfs/dbraw/zinc/37/43/45/311374345.db2.gz DUMASJVDDIGTOH-UHFFFAOYSA-N 1 0 345.403 2.099 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332570662 312026977 /nfs/dbraw/zinc/02/69/77/312026977.db2.gz WFCXQEBLPOURIX-SWLSCSKDSA-N 1 0 332.404 2.281 20 5 EEBDRO C[C@@H]1C[NH+](C[C@@H](O)CSCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000338202665 312248949 /nfs/dbraw/zinc/24/89/49/312248949.db2.gz AWTFAOIMBRUZSG-XJKCOSOUSA-N 1 0 340.445 2.298 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC000414641174 313054799 /nfs/dbraw/zinc/05/47/99/313054799.db2.gz HOFBCEBNWPOIPF-VIFPVBQESA-N 1 0 328.332 2.185 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417731094 313579206 /nfs/dbraw/zinc/57/92/06/313579206.db2.gz RHIXOVWNQSLUBG-GJZGRUSLSA-N 1 0 334.420 2.344 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417860969 313622548 /nfs/dbraw/zinc/62/25/48/313622548.db2.gz ZQSJNVUEBNQJKE-DYVFJYSZSA-N 1 0 332.404 2.359 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418718511 313888068 /nfs/dbraw/zinc/88/80/68/313888068.db2.gz KEMUPLGDCFOHRO-HIFRSBDPSA-N 1 0 334.420 2.296 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418765294 313901791 /nfs/dbraw/zinc/90/17/91/313901791.db2.gz LOSVKHTYGXVPJH-JSGCOSHPSA-N 1 0 332.404 2.396 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCC[N@@H+]1C ZINC000421017075 314026759 /nfs/dbraw/zinc/02/67/59/314026759.db2.gz YZTSRHUQVLYLTL-CQSZACIVSA-N 1 0 331.376 2.171 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421022796 314028494 /nfs/dbraw/zinc/02/84/94/314028494.db2.gz VGCLRKWTDWULSP-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361017 314091610 /nfs/dbraw/zinc/09/16/10/314091610.db2.gz KBENYQKMMAYAAI-KBPBESRZSA-N 1 0 344.415 2.446 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430195663 314503014 /nfs/dbraw/zinc/50/30/14/314503014.db2.gz OWOXXCQMDUJWSC-WBVHZDCISA-N 1 0 338.404 2.259 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445173301 315349815 /nfs/dbraw/zinc/34/98/15/315349815.db2.gz NYRLXFOGLDQRNW-MBNYWOFBSA-N 1 0 348.403 2.173 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448856986 315393560 /nfs/dbraw/zinc/39/35/60/315393560.db2.gz CTBHGYUHMJCWRB-UHFFFAOYSA-N 1 0 343.387 2.057 20 5 EEBDRO CNc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000516009029 316528090 /nfs/dbraw/zinc/52/80/90/316528090.db2.gz SVUHADINXKGDRY-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379445 316555719 /nfs/dbraw/zinc/55/57/19/316555719.db2.gz IWAAVUPJXWRQAN-UHFFFAOYSA-N 1 0 349.387 2.319 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000522184865 316957771 /nfs/dbraw/zinc/95/77/71/316957771.db2.gz NUEWGGBHOVXIOL-UHFFFAOYSA-N 1 0 349.387 2.127 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524314256 317013526 /nfs/dbraw/zinc/01/35/26/317013526.db2.gz JCGCPPARNKDPNU-ZIAGYGMSSA-N 1 0 349.431 2.383 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000537311390 318016158 /nfs/dbraw/zinc/01/61/58/318016158.db2.gz OLSRUAPTCZXIBS-AWEZNQCLSA-N 1 0 335.404 2.130 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000540170658 318071712 /nfs/dbraw/zinc/07/17/12/318071712.db2.gz ITIOLBWFDNOOLW-LRDDRELGSA-N 1 0 343.387 2.093 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1(CCO)CCN(C)CC1 ZINC000563419446 319009439 /nfs/dbraw/zinc/00/94/39/319009439.db2.gz VTVMHDQGIHNDCL-NTCAYCPXSA-N 1 0 333.432 2.435 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H](C)[NH+]2CC(C)C2)c([N+](=O)[O-])c1 ZINC000563823405 319046702 /nfs/dbraw/zinc/04/67/02/319046702.db2.gz SMMUZEGLXCVCQH-AWEZNQCLSA-N 1 0 334.420 2.162 20 5 EEBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000576029776 320134933 /nfs/dbraw/zinc/13/49/33/320134933.db2.gz ALHMPZQEOKJIRJ-FUHWJXTLSA-N 1 0 344.415 2.036 20 5 EEBDRO CNc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000581684662 324302997 /nfs/dbraw/zinc/30/29/97/324302997.db2.gz XGBTTYXPOYHYQK-WOSRLPQWSA-N 1 0 346.431 2.439 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000491413695 448018826 /nfs/dbraw/zinc/01/88/26/448018826.db2.gz GFZZAZSKVYHMHQ-XQRVVYSFSA-N 1 0 347.350 2.144 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)CC1 ZINC000292793377 464344121 /nfs/dbraw/zinc/34/41/21/464344121.db2.gz YCYLSCUACDJUDZ-CQSZACIVSA-N 1 0 336.411 2.259 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000326351590 465036737 /nfs/dbraw/zinc/03/67/37/465036737.db2.gz VHSVQPAOCFRSQA-CYBMUJFWSA-N 1 0 332.404 2.337 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000358362389 465080198 /nfs/dbraw/zinc/08/01/98/465080198.db2.gz CSCDCEBPWMTHMY-RNCFNFMXSA-N 1 0 349.309 2.215 20 5 EEBDRO Cn1cnc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358403929 465102369 /nfs/dbraw/zinc/10/23/69/465102369.db2.gz QEYZEKBTFBHUDX-UKRRQHHQSA-N 1 0 329.404 2.267 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000358474706 465147260 /nfs/dbraw/zinc/14/72/60/465147260.db2.gz YRCDIFVRXPUJLF-XJKSGUPXSA-N 1 0 335.379 2.219 20 5 EEBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000347756285 465208123 /nfs/dbraw/zinc/20/81/23/465208123.db2.gz SYRBKVHJNOKOOL-IRBQFCFKSA-N 1 0 329.356 2.496 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000358680347 465260404 /nfs/dbraw/zinc/26/04/04/465260404.db2.gz JXAGITNHAGAUCG-LSDHHAIUSA-N 1 0 332.404 2.329 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000520868526 468277299 /nfs/dbraw/zinc/27/72/99/468277299.db2.gz HAKYWWODIZNJSU-MRXNPFEDSA-N 1 0 330.388 2.274 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018070 465370626 /nfs/dbraw/zinc/37/06/26/465370626.db2.gz KNIXUFUKWRAEJJ-ZDUSSCGKSA-N 1 0 335.408 2.188 20 5 EEBDRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075634844 462741751 /nfs/dbraw/zinc/74/17/51/462741751.db2.gz QBMQKUYWDUAHST-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO COc1cc(C[NH2+]CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000116332936 462755253 /nfs/dbraw/zinc/75/52/53/462755253.db2.gz NUOVUQFZOIHHHX-UHFFFAOYSA-N 1 0 332.356 2.264 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000065440994 462771536 /nfs/dbraw/zinc/77/15/36/462771536.db2.gz XCWKQIASVKZQPC-OAHLLOKOSA-N 1 0 334.420 2.167 20 5 EEBDRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000047675782 462814211 /nfs/dbraw/zinc/81/42/11/462814211.db2.gz ORHOZXPCZYYBDY-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000132378569 462853677 /nfs/dbraw/zinc/85/36/77/462853677.db2.gz NLBPQDPKUXMFOB-AWEZNQCLSA-N 1 0 333.388 2.391 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066140410 462855106 /nfs/dbraw/zinc/85/51/06/462855106.db2.gz YFVXSWWTXNJZRB-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066156941 462856653 /nfs/dbraw/zinc/85/66/53/462856653.db2.gz BZBZASFTNYGVNH-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO NC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000015129696 462942191 /nfs/dbraw/zinc/94/21/91/462942191.db2.gz RQPBJQONARUZEB-OAHLLOKOSA-N 1 0 340.383 2.380 20 5 EEBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754301 468327422 /nfs/dbraw/zinc/32/74/22/468327422.db2.gz RWFJYTQAVHWIPC-MRXNPFEDSA-N 1 0 331.372 2.170 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[N@H+](C)C1 ZINC000156098467 462979794 /nfs/dbraw/zinc/97/97/94/462979794.db2.gz QGFIGHGHLYAKTA-GFCCVEGCSA-N 1 0 328.372 2.309 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000521757789 468330186 /nfs/dbraw/zinc/33/01/86/468330186.db2.gz WJPZOAQSYHIWPY-GFCCVEGCSA-N 1 0 349.387 2.174 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120661561 463023550 /nfs/dbraw/zinc/02/35/50/463023550.db2.gz PTOKSLWOMDNWPZ-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000067701884 463039582 /nfs/dbraw/zinc/03/95/82/463039582.db2.gz XDTHEAIGLSNBGW-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](CC4CC4)CC3)n2)c1 ZINC000052164818 463064900 /nfs/dbraw/zinc/06/49/00/463064900.db2.gz WLOFFMRWXUAMFT-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CCC[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000078746857 463146788 /nfs/dbraw/zinc/14/67/88/463146788.db2.gz CQWZFRBTPZUOFP-UHFFFAOYSA-N 1 0 331.376 2.118 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000158044280 463199352 /nfs/dbraw/zinc/19/93/52/463199352.db2.gz UQDCIECYEULPST-STQMWFEESA-N 1 0 335.408 2.045 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895807 463259276 /nfs/dbraw/zinc/25/92/76/463259276.db2.gz ONIOEAKCCBPQHZ-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000139007361 463316143 /nfs/dbraw/zinc/31/61/43/463316143.db2.gz BAGBRWJVOVTBAE-UHFFFAOYSA-N 1 0 329.404 2.312 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000031091870 463324945 /nfs/dbraw/zinc/32/49/45/463324945.db2.gz LGUOIMJZMCENMD-UHFFFAOYSA-N 1 0 349.435 2.134 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000160691699 463362087 /nfs/dbraw/zinc/36/20/87/463362087.db2.gz GFZBTARPAJOAMW-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072723883 463540384 /nfs/dbraw/zinc/54/03/84/463540384.db2.gz JYHXZINCADWPLM-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(N)=O ZINC000073051749 463578733 /nfs/dbraw/zinc/57/87/33/463578733.db2.gz SLTYSZQHLZSMGS-GFCCVEGCSA-N 1 0 328.372 2.326 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000058937172 463634030 /nfs/dbraw/zinc/63/40/30/463634030.db2.gz NKWATMRRKZBRFL-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000109809633 463651183 /nfs/dbraw/zinc/65/11/83/463651183.db2.gz QYVCFPAZELOBPD-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000177484848 463716779 /nfs/dbraw/zinc/71/67/79/463716779.db2.gz ZYGPVOCSNIESJS-ZIAGYGMSSA-N 1 0 334.420 2.020 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286827253 463718405 /nfs/dbraw/zinc/71/84/05/463718405.db2.gz LALPVWRLTMMASJ-WMLDXEAASA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193851058 463748979 /nfs/dbraw/zinc/74/89/79/463748979.db2.gz DFXMTNGHPYRPKH-CYBMUJFWSA-N 1 0 343.387 2.444 20 5 EEBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193896428 463755405 /nfs/dbraw/zinc/75/54/05/463755405.db2.gz PPJABOGLQRBWLE-NEPJUHHUSA-N 1 0 348.403 2.078 20 5 EEBDRO CCC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965980 463830149 /nfs/dbraw/zinc/83/01/49/463830149.db2.gz YJPCWPWFLBSYCV-SJORKVTESA-N 1 0 348.447 2.365 20 5 EEBDRO CN1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000522935927 468380942 /nfs/dbraw/zinc/38/09/42/468380942.db2.gz VARPPHQKQHAXMQ-UHFFFAOYSA-N 1 0 327.816 2.083 20 5 EEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185728617 463868770 /nfs/dbraw/zinc/86/87/70/463868770.db2.gz XLTCIXFKMQYCMV-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO [NH3+][C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000261885431 463889310 /nfs/dbraw/zinc/88/93/10/463889310.db2.gz BBFGDXAYDLIAME-GFCCVEGCSA-N 1 0 332.385 2.185 20 5 EEBDRO CCOC(=O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178559855 463920559 /nfs/dbraw/zinc/92/05/59/463920559.db2.gz IWEVAIBOBQNASS-UHFFFAOYSA-N 1 0 337.376 2.117 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339674109 465434305 /nfs/dbraw/zinc/43/43/05/465434305.db2.gz XDMVBUAIXASGKD-GXTWGEPZSA-N 1 0 335.429 2.430 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269531762 464010594 /nfs/dbraw/zinc/01/05/94/464010594.db2.gz SIXJMAJMUFCZOT-LBPRGKRZSA-N 1 0 337.424 2.149 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@@H]1CC[NH2+]C1 ZINC000262585652 464034302 /nfs/dbraw/zinc/03/43/02/464034302.db2.gz OJNFEZVWRNIOAZ-HNNXBMFYSA-N 1 0 349.434 2.271 20 5 EEBDRO COc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195425280 464052972 /nfs/dbraw/zinc/05/29/72/464052972.db2.gz GIEWZFCDTRYDME-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186717615 464056006 /nfs/dbraw/zinc/05/60/06/464056006.db2.gz IUZXVABBJSGHQK-FABXCBLPSA-N 1 0 335.404 2.305 20 5 EEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000269785285 464093705 /nfs/dbraw/zinc/09/37/05/464093705.db2.gz HQYIJHIGSYTLRZ-DGCLKSJQSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805566 464146712 /nfs/dbraw/zinc/14/67/12/464146712.db2.gz WMULTPHRWLAHTK-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[C@H]([NH3+])c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229936179 464201357 /nfs/dbraw/zinc/20/13/57/464201357.db2.gz AKHQAMWFKGSVOJ-JTQLQIEISA-N 1 0 340.181 2.407 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173278061 464228823 /nfs/dbraw/zinc/22/88/23/464228823.db2.gz GVJXRVCRCWJJCW-AWEZNQCLSA-N 1 0 332.404 2.293 20 5 EEBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000188460709 464286742 /nfs/dbraw/zinc/28/67/42/464286742.db2.gz CBWGTASPFHVOIV-SNVBAGLBSA-N 1 0 332.385 2.152 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000264296662 464292782 /nfs/dbraw/zinc/29/27/82/464292782.db2.gz QYQKFPQYMJLHAX-UHFFFAOYSA-N 1 0 329.404 2.429 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237318231 464302706 /nfs/dbraw/zinc/30/27/06/464302706.db2.gz DDUBEPMZRUAVDT-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180421910 464307620 /nfs/dbraw/zinc/30/76/20/464307620.db2.gz KLDDUYPZHDUBEU-LBPRGKRZSA-N 1 0 346.387 2.110 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000284810237 464350018 /nfs/dbraw/zinc/35/00/18/464350018.db2.gz KRMRGJSNLQPFSR-AEFFLSMTSA-N 1 0 349.431 2.287 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237630149 464354069 /nfs/dbraw/zinc/35/40/69/464354069.db2.gz DXYOSUWYOMOZDT-QWRGUYRKSA-N 1 0 341.795 2.213 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000237782086 464380433 /nfs/dbraw/zinc/38/04/33/464380433.db2.gz ZGIAILLZLCCASI-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778586 464381146 /nfs/dbraw/zinc/38/11/46/464381146.db2.gz LDINLXZOLYSUEH-DOMZBBRYSA-N 1 0 340.330 2.171 20 5 EEBDRO CCCCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271809541 464385639 /nfs/dbraw/zinc/38/56/39/464385639.db2.gz RFVQAHJOTICRRC-AWEZNQCLSA-N 1 0 337.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccccc1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000237948635 464409133 /nfs/dbraw/zinc/40/91/33/464409133.db2.gz FACAWMKSIYXKHL-GOSISDBHSA-N 1 0 341.411 2.104 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264663711 464414968 /nfs/dbraw/zinc/41/49/68/464414968.db2.gz ZCSRHHRXNYOGPE-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CCOCC3)cs2)c1 ZINC000237996004 464417084 /nfs/dbraw/zinc/41/70/84/464417084.db2.gz KSHLZTRCQCLEIN-UHFFFAOYSA-N 1 0 348.428 2.140 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264675805 464418964 /nfs/dbraw/zinc/41/89/64/464418964.db2.gz NLMYFHMRKIGZDY-VXGBXAGGSA-N 1 0 337.424 2.121 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238026835 464420607 /nfs/dbraw/zinc/42/06/07/464420607.db2.gz OXAPZGNLPZPYNG-BXKDBHETSA-N 1 0 347.824 2.044 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CCc2ccccc21 ZINC000238132084 464434852 /nfs/dbraw/zinc/43/48/52/464434852.db2.gz BGMXRJCCEHFGCH-KRWDZBQOSA-N 1 0 340.383 2.010 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281430556 464452191 /nfs/dbraw/zinc/45/21/91/464452191.db2.gz PSLODECMYQZUFX-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281568308 464507241 /nfs/dbraw/zinc/50/72/41/464507241.db2.gz YWNYZOXRYOXWRF-AWEZNQCLSA-N 1 0 335.404 2.082 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285302358 464517477 /nfs/dbraw/zinc/51/74/77/464517477.db2.gz WAOWUZOIEVNCKA-GFCCVEGCSA-N 1 0 337.405 2.192 20 5 EEBDRO C[N@@H+]1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1(C)C ZINC000281744375 464569235 /nfs/dbraw/zinc/56/92/35/464569235.db2.gz XJNJVNJJSUNPDF-UHFFFAOYSA-N 1 0 333.436 2.001 20 5 EEBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460576 464573187 /nfs/dbraw/zinc/57/31/87/464573187.db2.gz ZVJIKRYOQDXCTJ-BJOOFOGMSA-N 1 0 348.447 2.205 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272387553 464589661 /nfs/dbraw/zinc/58/96/61/464589661.db2.gz TVUVQTJQYATMFL-GFCCVEGCSA-N 1 0 341.358 2.487 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000285533524 464599458 /nfs/dbraw/zinc/59/94/58/464599458.db2.gz LBCJJEFFAAZZOB-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281927222 464637527 /nfs/dbraw/zinc/63/75/27/464637527.db2.gz DAEBKCBNOHHTTA-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(Br)c2F)c1 ZINC000294952596 464660356 /nfs/dbraw/zinc/66/03/56/464660356.db2.gz CEODUXBVYNDSTM-UHFFFAOYSA-N 1 0 343.156 2.483 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000176194947 464717096 /nfs/dbraw/zinc/71/70/96/464717096.db2.gz VCVAUGLDTRHCQY-AWEZNQCLSA-N 1 0 344.371 2.400 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F 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ZHYQCERAFXSHJX-CZUORRHYSA-N 1 0 349.431 2.242 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177346237 464991458 /nfs/dbraw/zinc/99/14/58/464991458.db2.gz VAZDNAFQDGGQJB-ZBFHGGJFSA-N 1 0 346.431 2.400 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940559 465017672 /nfs/dbraw/zinc/01/76/72/465017672.db2.gz IDDMRMSVKKJZTR-IRXDYDNUSA-N 1 0 347.415 2.199 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000286767807 465023425 /nfs/dbraw/zinc/02/34/25/465023425.db2.gz ZOXQOCQBSVNWTH-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593914530 468431302 /nfs/dbraw/zinc/43/13/02/468431302.db2.gz CZISWEDVQDIQHT-JSGCOSHPSA-N 1 0 335.404 2.122 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342915143 465386280 /nfs/dbraw/zinc/38/62/80/465386280.db2.gz PBIVPCAKDIUYGJ-JSGCOSHPSA-N 1 0 328.372 2.433 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593918429 468433008 /nfs/dbraw/zinc/43/30/08/468433008.db2.gz DCZRFMPKJBFJOF-KBRIMQKVSA-N 1 0 347.415 2.404 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000356770024 465529936 /nfs/dbraw/zinc/52/99/36/465529936.db2.gz BIHXFFCRCYZHAS-ZDUSSCGKSA-N 1 0 332.404 2.394 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000356870062 465589827 /nfs/dbraw/zinc/58/98/27/465589827.db2.gz CXIHTJGAAKBKPL-OLZOCXBDSA-N 1 0 330.388 2.101 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299078546 465590604 /nfs/dbraw/zinc/59/06/04/465590604.db2.gz IAZWTWPOUYJBGN-RYUDHWBXSA-N 1 0 345.403 2.321 20 5 EEBDRO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c[nH+]cn2c1 ZINC000353070773 465614662 /nfs/dbraw/zinc/61/46/62/465614662.db2.gz DTXNTVHJLMPAIZ-UHFFFAOYSA-N 1 0 349.310 2.280 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000356975635 465671702 /nfs/dbraw/zinc/67/17/02/465671702.db2.gz BHZMMZDPADIIAZ-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000344961828 465808337 /nfs/dbraw/zinc/80/83/37/465808337.db2.gz HLZRHECNQQXZBN-UONOGXRCSA-N 1 0 335.404 2.223 20 5 EEBDRO CCC[NH+]1CCC(N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000299652536 465842716 /nfs/dbraw/zinc/84/27/16/465842716.db2.gz FXTLKYXTWCXCCG-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc([N+](=O)[O-])c1 ZINC000349023690 465924955 /nfs/dbraw/zinc/92/49/55/465924955.db2.gz CEXGSQKXVLXSKT-ZDUSSCGKSA-N 1 0 326.356 2.367 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000357400941 466005728 /nfs/dbraw/zinc/00/57/28/466005728.db2.gz IPYLAFXWOMYMFL-UHFFFAOYSA-N 1 0 345.403 2.465 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000346646760 466122952 /nfs/dbraw/zinc/12/29/52/466122952.db2.gz DAJHEINLPTYLAD-UONOGXRCSA-N 1 0 329.404 2.428 20 5 EEBDRO CC(C)NC(=O)c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000302832612 466195203 /nfs/dbraw/zinc/19/52/03/466195203.db2.gz RQMVFQNLXBFWKU-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN(CCC(F)(F)F)C[C@@H](O)CO ZINC000354010608 466324245 /nfs/dbraw/zinc/32/42/45/466324245.db2.gz OWYRBFLVGJAPOZ-MASHWEEQSA-N 1 0 348.321 2.216 20 5 EEBDRO C[C@@H]1COCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000363478142 466428874 /nfs/dbraw/zinc/42/88/74/466428874.db2.gz HMCLSQUMBCEUHF-JTQLQIEISA-N 1 0 327.768 2.155 20 5 EEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839133 466479715 /nfs/dbraw/zinc/47/97/15/466479715.db2.gz GMRYSTZVRNINJZ-JSGCOSHPSA-N 1 0 349.387 2.128 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccncc2OCC[NH+](C)C)n1 ZINC000341031410 466526132 /nfs/dbraw/zinc/52/61/32/466526132.db2.gz GCANFSWZMXGOBF-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354416809 466551011 /nfs/dbraw/zinc/55/10/11/466551011.db2.gz DGGRNNFQQUEGFD-DZGCQCFKSA-N 1 0 335.404 2.305 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354432676 466563454 /nfs/dbraw/zinc/56/34/54/466563454.db2.gz PCJGCQMQVNOVEL-KGLIPLIRSA-N 1 0 335.404 2.305 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320047394 466603293 /nfs/dbraw/zinc/60/32/93/466603293.db2.gz YOEMSMHEYFULOC-NSHDSACASA-N 1 0 329.422 2.139 20 5 EEBDRO CC(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCCC1 ZINC000347407160 466617357 /nfs/dbraw/zinc/61/73/57/466617357.db2.gz LASGWTNHCNALST-OAHLLOKOSA-N 1 0 329.404 3.070 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000324680364 466649414 /nfs/dbraw/zinc/64/94/14/466649414.db2.gz OUIADMYVCUHDAS-NSHDSACASA-N 1 0 331.376 2.386 20 5 EEBDRO Cc1cc(N2CCN3C(=O)OC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368603541 466686352 /nfs/dbraw/zinc/68/63/52/466686352.db2.gz NIDHIIWZMPPFCK-GFCCVEGCSA-N 1 0 328.328 2.092 20 5 EEBDRO [NH3+][C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000423226776 466700465 /nfs/dbraw/zinc/70/04/65/466700465.db2.gz SFCBLWSHQLJVJA-INIZCTEOSA-N 1 0 333.388 2.092 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000411092960 466766183 /nfs/dbraw/zinc/76/61/83/466766183.db2.gz CSUHFONERZMNMV-UHFFFAOYSA-N 1 0 331.319 2.266 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423562006 466773947 /nfs/dbraw/zinc/77/39/47/466773947.db2.gz KFZKRAWCOSHFRN-AVGNSLFASA-N 1 0 333.388 2.193 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000423688316 466802897 /nfs/dbraw/zinc/80/28/97/466802897.db2.gz XGQYMGJDAAESTM-JTQLQIEISA-N 1 0 333.360 2.419 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423710282 466810564 /nfs/dbraw/zinc/81/05/64/466810564.db2.gz XHIHUJXIEYBKHX-GFCCVEGCSA-N 1 0 328.372 2.405 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301157 466827157 /nfs/dbraw/zinc/82/71/57/466827157.db2.gz ACNKWJMVETUMAH-LRDDRELGSA-N 1 0 338.429 2.387 20 5 EEBDRO CC(C)CN(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000365510599 466841819 /nfs/dbraw/zinc/84/18/19/466841819.db2.gz KSWHPMPZSKBUEX-UHFFFAOYSA-N 1 0 349.435 2.075 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000423937045 466920875 /nfs/dbraw/zinc/92/08/75/466920875.db2.gz DSYWGRGFOKMMBY-AWEZNQCLSA-N 1 0 328.372 2.390 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424014477 466951633 /nfs/dbraw/zinc/95/16/33/466951633.db2.gz VAKOQBWTTRNHDX-JKSUJKDBSA-N 1 0 343.358 2.230 20 5 EEBDRO CCOc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000370787745 467005304 /nfs/dbraw/zinc/00/53/04/467005304.db2.gz ORMRMDZADIQFMF-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1cc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000424225203 467008431 /nfs/dbraw/zinc/00/84/31/467008431.db2.gz PNRFABCAAHPJBY-GFCCVEGCSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377671054 467112012 /nfs/dbraw/zinc/11/20/12/467112012.db2.gz HTZGFJRVSMWVOB-KRWDZBQOSA-N 1 0 346.387 2.485 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418542429 467126087 /nfs/dbraw/zinc/12/60/87/467126087.db2.gz ONHOTONCUJPHTE-QGZVFWFLSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1C ZINC000427929296 467186844 /nfs/dbraw/zinc/18/68/44/467186844.db2.gz GKVUUFVCMKTHPN-NSHDSACASA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@H](C)C1 ZINC000413253572 467197681 /nfs/dbraw/zinc/19/76/81/467197681.db2.gz VLMCGCFFNALLLW-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO O=C(NC1CC1)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420200617 467320680 /nfs/dbraw/zinc/32/06/80/467320680.db2.gz MYMOXTVZNUXDCM-LBPRGKRZSA-N 1 0 332.404 2.289 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000420229852 467325585 /nfs/dbraw/zinc/32/55/85/467325585.db2.gz ONJGEFRPHOWUJZ-IACUBPJLSA-N 1 0 329.360 2.208 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452113930 467328253 /nfs/dbraw/zinc/32/82/53/467328253.db2.gz IZGXFAYPOARUEW-AWEZNQCLSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000378521300 467330504 /nfs/dbraw/zinc/33/05/04/467330504.db2.gz QRJABJQSTHTIMM-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO COc1ccc(OCCN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452119996 467331242 /nfs/dbraw/zinc/33/12/42/467331242.db2.gz QSFWSAZILVYLDO-CQSZACIVSA-N 1 0 337.420 2.397 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429567832 467348279 /nfs/dbraw/zinc/34/82/79/467348279.db2.gz HGEOHVOGCPETTE-IUODEOHRSA-N 1 0 346.431 2.298 20 5 EEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000413964851 467352540 /nfs/dbraw/zinc/35/25/40/467352540.db2.gz WCXUSNSDAWWFJZ-UHFFFAOYSA-N 1 0 348.359 2.124 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420325883 467357638 /nfs/dbraw/zinc/35/76/38/467357638.db2.gz BZWGGTDHPJEKDO-DOMZBBRYSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN1CCCO)CCC2 ZINC000453250399 467469812 /nfs/dbraw/zinc/46/98/12/467469812.db2.gz ACUUZJPPOAULIE-FUHWJXTLSA-N 1 0 333.432 2.409 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430928095 467476782 /nfs/dbraw/zinc/47/67/82/467476782.db2.gz SIJPHSPYAQTBTG-LLVKDONJSA-N 1 0 331.376 2.204 20 5 EEBDRO C[NH2+]CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430951589 467480617 /nfs/dbraw/zinc/48/06/17/467480617.db2.gz MIMRGXDMATVNNS-UHFFFAOYSA-N 1 0 331.376 2.076 20 5 EEBDRO CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000415073300 467482469 /nfs/dbraw/zinc/48/24/69/467482469.db2.gz YEKQOEPDQZKHCX-CQSZACIVSA-N 1 0 349.362 2.278 20 5 EEBDRO CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000431070801 467491680 /nfs/dbraw/zinc/49/16/80/467491680.db2.gz RNQWJMCBKYNVLW-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415119938 467493764 /nfs/dbraw/zinc/49/37/64/467493764.db2.gz FWHSTOBNKDHXSZ-MAUKXSAKSA-N 1 0 349.431 2.322 20 5 EEBDRO CNc1nc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454321998 467584572 /nfs/dbraw/zinc/58/45/72/467584572.db2.gz CIANTHGRKHLJEP-GFCCVEGCSA-N 1 0 335.408 2.026 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448977096 467610023 /nfs/dbraw/zinc/61/00/23/467610023.db2.gz QNSPKLLQADVTGK-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000449321200 467630799 /nfs/dbraw/zinc/63/07/99/467630799.db2.gz LESTYFRZTUSJAI-ZDUSSCGKSA-N 1 0 340.445 2.473 20 5 EEBDRO CNC(=O)C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449605671 467669537 /nfs/dbraw/zinc/66/95/37/467669537.db2.gz WWLXDSJCGLFWSS-JTQLQIEISA-N 1 0 334.401 2.333 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449690703 467690282 /nfs/dbraw/zinc/69/02/82/467690282.db2.gz QZGCIEKAIRRFKY-GJZGRUSLSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1cc(C(=O)NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000457171706 467770802 /nfs/dbraw/zinc/77/08/02/467770802.db2.gz SOEKUFWKQJFSKI-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000493062166 467831820 /nfs/dbraw/zinc/83/18/20/467831820.db2.gz ZMTJHQQWTXZYFP-KBENPAEBSA-N 1 0 333.363 2.333 20 5 EEBDRO Cc1nc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450367649 467836595 /nfs/dbraw/zinc/83/65/95/467836595.db2.gz XTNRDRGKXKCSOO-ZDUSSCGKSA-N 1 0 329.404 3.016 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000458465868 467840120 /nfs/dbraw/zinc/84/01/20/467840120.db2.gz UUKOJAZLHHLVBE-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493768386 467978926 /nfs/dbraw/zinc/97/89/26/467978926.db2.gz OVWVHFQTGACFRO-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO COCC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493868789 468000200 /nfs/dbraw/zinc/00/02/00/468000200.db2.gz AINHGFXJGXDUHB-GFCCVEGCSA-N 1 0 327.812 2.401 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493898389 468003185 /nfs/dbraw/zinc/00/31/85/468003185.db2.gz WFBSHNIDLAYDNL-BETUJISGSA-N 1 0 330.388 2.475 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000530866804 468013565 /nfs/dbraw/zinc/01/35/65/468013565.db2.gz FWRRXFCFKNWTFW-AWEZNQCLSA-N 1 0 330.388 2.402 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486945633 468014376 /nfs/dbraw/zinc/01/43/76/468014376.db2.gz YBBHBCWXHAAVLB-GFCCVEGCSA-N 1 0 331.376 2.423 20 5 EEBDRO CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488195739 468076655 /nfs/dbraw/zinc/07/66/55/468076655.db2.gz DKOLIWYLCSFFPW-CJNGLKHVSA-N 1 0 334.420 2.194 20 5 EEBDRO O=C(CCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000517732882 468094874 /nfs/dbraw/zinc/09/48/74/468094874.db2.gz RDQHWOAOPBLSJI-HIFRSBDPSA-N 1 0 332.404 2.140 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532530738 468123038 /nfs/dbraw/zinc/12/30/38/468123038.db2.gz MHFBCYZADIEQIF-KGLIPLIRSA-N 1 0 334.420 2.243 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489383059 468131014 /nfs/dbraw/zinc/13/10/14/468131014.db2.gz DQRMSXYIVDQHMZ-MRXNPFEDSA-N 1 0 334.420 2.195 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000567710788 468191541 /nfs/dbraw/zinc/19/15/41/468191541.db2.gz SESSSRYIWPOIQF-XYJFISCASA-N 1 0 344.415 2.153 20 5 EEBDRO CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549724350 468194133 /nfs/dbraw/zinc/19/41/33/468194133.db2.gz SJKLMOFBKFAOCB-CQSZACIVSA-N 1 0 343.387 2.055 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccnc21 ZINC000590079879 468212350 /nfs/dbraw/zinc/21/23/50/468212350.db2.gz VJCFGSKHKKCQQP-RDJZCZTQSA-N 1 0 342.399 2.178 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567841542 468220741 /nfs/dbraw/zinc/22/07/41/468220741.db2.gz HLOXGOSCYSRFMO-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000590402705 468247143 /nfs/dbraw/zinc/24/71/43/468247143.db2.gz GRDBAIGNTQZJQB-ZFWWWQNUSA-N 1 0 346.431 2.360 20 5 EEBDRO CC(C)(NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000597442941 468557070 /nfs/dbraw/zinc/55/70/70/468557070.db2.gz ZLURETRCLBVYSW-CQSZACIVSA-N 1 0 332.404 2.271 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1 ZINC000600712198 468628691 /nfs/dbraw/zinc/62/86/91/468628691.db2.gz UPICCYBIYUBGDK-STQMWFEESA-N 1 0 325.434 2.044 20 5 EEBDRO CNc1ccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628984 468639948 /nfs/dbraw/zinc/63/99/48/468639948.db2.gz SSTPHRFFWWTYCU-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859359 468696211 /nfs/dbraw/zinc/69/62/11/468696211.db2.gz CREWVCVXPZXXFW-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592432352 468696557 /nfs/dbraw/zinc/69/65/57/468696557.db2.gz FEIFACFOXGPZEE-GXFFZTMASA-N 1 0 327.331 2.380 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592477658 468706374 /nfs/dbraw/zinc/70/63/74/468706374.db2.gz GITJUICVYSVWNP-LLVKDONJSA-N 1 0 329.360 2.188 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000597925044 468712223 /nfs/dbraw/zinc/71/22/23/468712223.db2.gz MXCYGKVGPMWLMN-ZDUSSCGKSA-N 1 0 334.420 2.386 20 5 EEBDRO COCc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000559282002 468736336 /nfs/dbraw/zinc/73/63/36/468736336.db2.gz DBYZKZLNZGPHTO-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000595046697 468747517 /nfs/dbraw/zinc/74/75/17/468747517.db2.gz NBDHJDIVGVUPKG-VXGBXAGGSA-N 1 0 333.388 2.265 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000595042000 468748477 /nfs/dbraw/zinc/74/84/77/468748477.db2.gz SAIWFVMYHOCZPR-ZYHUDNBSSA-N 1 0 331.376 2.169 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221860 468796797 /nfs/dbraw/zinc/79/67/97/468796797.db2.gz XRZIOWCINJWCHI-LBPRGKRZSA-N 1 0 332.404 2.314 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598265379 468811986 /nfs/dbraw/zinc/81/19/86/468811986.db2.gz SNRMDDSWZJMPHU-LBPRGKRZSA-N 1 0 337.424 2.121 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388288 468835451 /nfs/dbraw/zinc/83/54/51/468835451.db2.gz FSWWVAFQCGNIPM-HLLBOEOZSA-N 1 0 337.395 2.417 20 5 EEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000593082387 468863930 /nfs/dbraw/zinc/86/39/30/468863930.db2.gz RSWLIYMGJUXIHE-UHFFFAOYSA-N 1 0 346.391 2.039 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101230 468872192 /nfs/dbraw/zinc/87/21/92/468872192.db2.gz NSVKHWUWWUFLIS-ZFWWWQNUSA-N 1 0 335.379 2.219 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000561224095 468878378 /nfs/dbraw/zinc/87/83/78/468878378.db2.gz JQJHTYZTNXRRSD-TZMCWYRMSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505227 468880230 /nfs/dbraw/zinc/88/02/30/468880230.db2.gz QVTGRHIJCAHYCJ-RDTXWAMCSA-N 1 0 346.431 2.340 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595743893 468983618 /nfs/dbraw/zinc/98/36/18/468983618.db2.gz SCOIFVIJFOSYAT-CZUORRHYSA-N 1 0 347.415 2.483 20 5 EEBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602644076 468984876 /nfs/dbraw/zinc/98/48/76/468984876.db2.gz KHHIZERHUWVISP-ZDUSSCGKSA-N 1 0 331.294 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000602654176 468989780 /nfs/dbraw/zinc/98/97/80/468989780.db2.gz PPBUFCQFDYQKFV-RDJZCZTQSA-N 1 0 334.416 2.295 20 5 EEBDRO CO[C@](C)(C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000602674822 469003868 /nfs/dbraw/zinc/00/38/68/469003868.db2.gz DTWFRHLUQDYAFB-GOSISDBHSA-N 1 0 347.415 2.168 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000595790215 469012006 /nfs/dbraw/zinc/01/20/06/469012006.db2.gz VFCNRMOSHXUPOM-KRWDZBQOSA-N 1 0 347.415 2.475 20 5 EEBDRO COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000610615792 469017790 /nfs/dbraw/zinc/01/77/90/469017790.db2.gz XAUIHJBIBNTAPQ-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c1 ZINC000595881742 469061930 /nfs/dbraw/zinc/06/19/30/469061930.db2.gz VNICZRBQBGGQEG-WBVHZDCISA-N 1 0 336.436 2.445 20 5 EEBDRO O=c1[nH]ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000596087253 469149422 /nfs/dbraw/zinc/14/94/22/469149422.db2.gz JMBSYWNSAOFHAT-UHFFFAOYSA-N 1 0 344.371 2.314 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)C2CC2)CC1(C)C ZINC000611462883 469254470 /nfs/dbraw/zinc/25/44/70/469254470.db2.gz FSQOJVOPLOXZJD-UHFFFAOYSA-N 1 0 347.415 2.436 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000615842423 469325882 /nfs/dbraw/zinc/32/58/82/469325882.db2.gz XGHBKVXTNYDVQZ-PTNGSMBKSA-N 1 0 333.432 2.387 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602497919 469340174 /nfs/dbraw/zinc/34/01/74/469340174.db2.gz XVJCZPSXWVXECU-IUCAKERBSA-N 1 0 342.193 2.215 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602549670 469357495 /nfs/dbraw/zinc/35/74/95/469357495.db2.gz JQMOGZDZAZSIHS-BDAKNGLRSA-N 1 0 349.284 2.333 20 5 EEBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567378 469363592 /nfs/dbraw/zinc/36/35/92/469363592.db2.gz CHZJXDGSLGWVQN-GUYCJALGSA-N 1 0 345.447 2.031 20 5 EEBDRO CCn1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000616786359 469502167 /nfs/dbraw/zinc/50/21/67/469502167.db2.gz VVFPWVQREZRFTP-INIZCTEOSA-N 1 0 333.388 2.288 20 5 EEBDRO CC[C@@]1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCOC1 ZINC000616866108 469526589 /nfs/dbraw/zinc/52/65/89/469526589.db2.gz OKOVPOZXHMFSCN-MRXNPFEDSA-N 1 0 335.360 2.052 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000619479877 469620327 /nfs/dbraw/zinc/62/03/27/469620327.db2.gz CSXHTCLPDLEMKZ-UHFFFAOYSA-N 1 0 337.424 2.177 20 5 EEBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000609045832 469889091 /nfs/dbraw/zinc/88/90/91/469889091.db2.gz RANZCZPDIRDYOK-UHFFFAOYSA-N 1 0 349.431 2.479 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610422042 470013954 /nfs/dbraw/zinc/01/39/54/470013954.db2.gz PTRADACYLAAYNY-MKBNYLNASA-N 1 0 343.387 2.173 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185594534 490693620 /nfs/dbraw/zinc/69/36/20/490693620.db2.gz TYVQHZNOWUIURI-IAQYHMDHSA-N 1 0 341.367 2.348 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130743324 534889232 /nfs/dbraw/zinc/88/92/32/534889232.db2.gz HWGSXNJTDKFFRZ-UHFFFAOYSA-N 1 0 331.332 2.364 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173991852 528260297 /nfs/dbraw/zinc/26/02/97/528260297.db2.gz MUHAOZSTOKMQEU-CQSZACIVSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000189630502 528532836 /nfs/dbraw/zinc/53/28/36/528532836.db2.gz MKEQNOUQKIGRLA-CYBMUJFWSA-N 1 0 343.449 2.387 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927753 528597729 /nfs/dbraw/zinc/59/77/29/528597729.db2.gz SAUJMFOBZSJTGO-ZIAGYGMSSA-N 1 0 337.420 2.365 20 5 EEBDRO CC[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178260226 529161483 /nfs/dbraw/zinc/16/14/83/529161483.db2.gz DAFPKOFFHGGYFR-CQSZACIVSA-N 1 0 348.403 2.356 20 5 EEBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000451403396 535248262 /nfs/dbraw/zinc/24/82/62/535248262.db2.gz LQTHRFBKLDKCQQ-UHFFFAOYSA-N 1 0 345.403 2.426 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264054837 535539177 /nfs/dbraw/zinc/53/91/77/535539177.db2.gz UXNIIGYZFCXTNH-UHFFFAOYSA-N 1 0 341.433 2.397 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000425061720 536886531 /nfs/dbraw/zinc/88/65/31/536886531.db2.gz BOWAGOFFBWMLAO-SWLSCSKDSA-N 1 0 333.388 2.078 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000725841749 576061705 /nfs/dbraw/zinc/06/17/05/576061705.db2.gz GFKYMBFEXNYAJO-MRXNPFEDSA-N 1 0 329.356 2.247 20 5 EEBDRO CC(C)CC[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586766 576278506 /nfs/dbraw/zinc/27/85/06/576278506.db2.gz ORDXYVBBQJLLCA-UHFFFAOYSA-N 1 0 334.376 2.299 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000730805293 577057869 /nfs/dbraw/zinc/05/78/69/577057869.db2.gz AHAFGAXYNHCOPG-INIZCTEOSA-N 1 0 329.404 2.462 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C[NH+]3CCCCC3)sc2c1 ZINC000731206695 577086405 /nfs/dbraw/zinc/08/64/05/577086405.db2.gz OLNBSUXVIWEPRB-GFCCVEGCSA-N 1 0 336.417 2.463 20 5 EEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732813170 577193790 /nfs/dbraw/zinc/19/37/90/577193790.db2.gz IORITIVIVILFAB-CYBMUJFWSA-N 1 0 345.321 2.232 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000771804239 577231155 /nfs/dbraw/zinc/23/11/55/577231155.db2.gz CSHNPYCACLDJAL-SNVBAGLBSA-N 1 0 332.303 2.065 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000771859330 577234663 /nfs/dbraw/zinc/23/46/63/577234663.db2.gz DSQNSYNZVWMGOJ-GFCCVEGCSA-N 1 0 332.360 2.238 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000733903058 577263366 /nfs/dbraw/zinc/26/33/66/577263366.db2.gz GLZYTBNKALHFSG-UHFFFAOYSA-N 1 0 339.367 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2COc3ccccc3C2)cc1 ZINC000776280411 577456711 /nfs/dbraw/zinc/45/67/11/577456711.db2.gz ZHSODXHNDXBOSR-CXAGYDPISA-N 1 0 328.368 2.469 20 5 EEBDRO CC(C)N(C)C(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578020 577462942 /nfs/dbraw/zinc/46/29/42/577462942.db2.gz AARXYBNAPHQMRB-KRWDZBQOSA-N 1 0 349.431 2.207 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000768843900 577563830 /nfs/dbraw/zinc/56/38/30/577563830.db2.gz XWYGQUDGXOLIDA-MNOVXSKESA-N 1 0 347.462 2.150 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761510800 577685166 /nfs/dbraw/zinc/68/51/66/577685166.db2.gz GSOIEHOFKSFXSC-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO [NH2+]=C(NOCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 ZINC000764578533 577739214 /nfs/dbraw/zinc/73/92/14/577739214.db2.gz OXTGQIMZLIKYFI-HNNXBMFYSA-N 1 0 329.312 2.433 20 5 EEBDRO CC(=O)c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272215 577958627 /nfs/dbraw/zinc/95/86/27/577958627.db2.gz LOJDSVMOFPDCIW-INIZCTEOSA-N 1 0 347.415 2.489 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000749662763 577979548 /nfs/dbraw/zinc/97/95/48/577979548.db2.gz CPPJNMAEWRUIQI-CXAGYDPISA-N 1 0 328.368 2.469 20 5 EEBDRO CCNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678314 577979782 /nfs/dbraw/zinc/97/97/82/577979782.db2.gz RIOSMTQALCOAKQ-QGZVFWFLSA-N 1 0 343.383 2.168 20 5 EEBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736473543 578206387 /nfs/dbraw/zinc/20/63/87/578206387.db2.gz SEPHPQQCESLJKT-UHFFFAOYSA-N 1 0 348.411 2.094 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC001021887624 676536377 /nfs/dbraw/zinc/53/63/77/676536377.db2.gz WZDOFUGTILRFPT-GASCZTMLSA-N 1 0 331.372 2.026 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021944845 676553231 /nfs/dbraw/zinc/55/32/31/676553231.db2.gz LUPVQICRCXEVMA-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CC2)n1 ZINC000892077864 677977139 /nfs/dbraw/zinc/97/71/39/677977139.db2.gz ASBYTVBCSIBHEV-AWEZNQCLSA-N 1 0 342.403 2.287 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000934398460 678334506 /nfs/dbraw/zinc/33/45/06/678334506.db2.gz ZKRZYDMVEXFTMW-VGOVLVCLSA-N 1 0 329.400 2.440 20 5 EEBDRO CC[NH2+]CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161910 681251798 /nfs/dbraw/zinc/25/17/98/681251798.db2.gz PYCKIYRWCSMEOF-UHFFFAOYSA-N 1 0 331.170 2.088 20 5 EEBDRO COc1c(O)ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000894413314 682867482 /nfs/dbraw/zinc/86/74/82/682867482.db2.gz LVZJVOHGVVXISE-OCCSQVGLSA-N 1 0 335.404 2.368 20 5 EEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000894432953 682894375 /nfs/dbraw/zinc/89/43/75/682894375.db2.gz XRMKBHPHRFZRJN-WDEREUQCSA-N 1 0 348.790 2.052 20 5 EEBDRO C[NH+](C)C[C@]1(O)CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000894465434 682913242 /nfs/dbraw/zinc/91/32/42/682913242.db2.gz RHZFEKMZJUKUFD-QGZVFWFLSA-N 1 0 348.378 2.175 20 5 EEBDRO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892767262 683019629 /nfs/dbraw/zinc/01/96/29/683019629.db2.gz VQUBNELKNBXBNW-JZXOWHBKSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000892820665 683102356 /nfs/dbraw/zinc/10/23/56/683102356.db2.gz REHLMJQLHZDMCU-STQMWFEESA-N 1 0 334.420 2.480 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC000983736163 683216421 /nfs/dbraw/zinc/21/64/21/683216421.db2.gz HONFMQYZAHYZLL-CTYIDZIISA-N 1 0 328.372 2.221 20 5 EEBDRO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893104203 683773624 /nfs/dbraw/zinc/77/36/24/683773624.db2.gz ZLXVUGQCYAHTJI-ZFWWWQNUSA-N 1 0 346.431 2.482 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001029304637 683939800 /nfs/dbraw/zinc/93/98/00/683939800.db2.gz DGPOOYSFVHKJMT-YYIAUSFCSA-N 1 0 335.448 2.297 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000893221559 684172016 /nfs/dbraw/zinc/17/20/16/684172016.db2.gz MTYHUPWAWQZMCO-MGPQQGTHSA-N 1 0 334.420 2.480 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000893247884 684261001 /nfs/dbraw/zinc/26/10/01/684261001.db2.gz IOJDECLTPSPFHY-GXTWGEPZSA-N 1 0 338.433 2.014 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893399959 685712664 /nfs/dbraw/zinc/71/26/64/685712664.db2.gz BSLJCQRDMPYAPG-PWSUYJOCSA-N 1 0 346.836 2.204 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000897238235 686304607 /nfs/dbraw/zinc/30/46/07/686304607.db2.gz WJDFSVDFKOVWAW-KBPBESRZSA-N 1 0 337.445 2.329 20 5 EEBDRO O=C(c1ccc[nH]1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989928411 692489131 /nfs/dbraw/zinc/48/91/31/692489131.db2.gz WTUQIDNZZOHFMO-UHFFFAOYSA-N 1 0 334.401 2.379 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000898630306 693405263 /nfs/dbraw/zinc/40/52/63/693405263.db2.gz ALJQYICKKRLMNL-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000905321532 694602265 /nfs/dbraw/zinc/60/22/65/694602265.db2.gz JHFDKWFVRHMZJY-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000872062214 1198037904 /nfs/dbraw/zinc/03/79/04/1198037904.db2.gz LCLUSRSLIJJIFY-ABAIWWIYSA-N 1 0 325.434 2.034 20 5 EEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1CCO ZINC000865708920 1198340637 /nfs/dbraw/zinc/34/06/37/1198340637.db2.gz GJMCWZMCSSDTMX-UHFFFAOYSA-N 1 0 329.347 2.425 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874437876 1198890697 /nfs/dbraw/zinc/89/06/97/1198890697.db2.gz RYOVLNLZZPASAG-CQSZACIVSA-N 1 0 335.404 2.052 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000876541573 1199663183 /nfs/dbraw/zinc/66/31/83/1199663183.db2.gz ADGXDNSBAPQOKD-UHFFFAOYSA-N 1 0 335.404 2.182 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2cccc(F)c2)cc1 ZINC000876965764 1199831592 /nfs/dbraw/zinc/83/15/92/1199831592.db2.gz JWOVLOMYNVLXKP-INIZCTEOSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877177629 1199876030 /nfs/dbraw/zinc/87/60/30/1199876030.db2.gz UPXVVHYRLOHXRI-POYBYMJQSA-N 1 0 346.156 2.058 20 5 EEBDRO COCCc1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000877523046 1199955574 /nfs/dbraw/zinc/95/55/74/1199955574.db2.gz VQOQSIBCMPMDSM-UHFFFAOYSA-N 1 0 336.417 2.206 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1conc1C1CC1 ZINC001133673871 1201184429 /nfs/dbraw/zinc/18/44/29/1201184429.db2.gz UZVHNEWVTPQNPX-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO CC(C)CC(=O)N1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879761099 1201245098 /nfs/dbraw/zinc/24/50/98/1201245098.db2.gz VFHGOBFUAHGEBV-KRWDZBQOSA-N 1 0 349.431 2.209 20 5 EEBDRO CCOC1CC(O)(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866348319 1201497786 /nfs/dbraw/zinc/49/77/86/1201497786.db2.gz OOPQPCYVILNKTN-WJFWJRBTSA-N 1 0 326.368 2.185 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866357810 1201499272 /nfs/dbraw/zinc/49/92/72/1201499272.db2.gz FVEPBIQMQXSZCQ-NSHDSACASA-N 1 0 332.397 2.078 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000866360515 1201500039 /nfs/dbraw/zinc/50/00/39/1201500039.db2.gz XTKTYABGDIZTNR-GFCCVEGCSA-N 1 0 345.374 2.483 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[N@H+](C)C1CC1 ZINC000881911993 1201787459 /nfs/dbraw/zinc/78/74/59/1201787459.db2.gz NDFOZQRSJYKUNV-NSHDSACASA-N 1 0 332.404 2.382 20 5 EEBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/CN1CCOCC1 ZINC000868718653 1201866046 /nfs/dbraw/zinc/86/60/46/1201866046.db2.gz AZLJRVNFDDEAQT-ONEGZZNKSA-N 1 0 348.403 2.242 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000886268953 1202486372 /nfs/dbraw/zinc/48/63/72/1202486372.db2.gz GWZJXKIMIUBSAX-JKSUJKDBSA-N 1 0 341.367 2.378 20 5 EEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000890065339 1204775166 /nfs/dbraw/zinc/77/51/66/1204775166.db2.gz FYEHETZAHOVRSO-OAHLLOKOSA-N 1 0 332.404 2.363 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000929313329 1206464353 /nfs/dbraw/zinc/46/43/53/1206464353.db2.gz VLGLOEHEYZCARZ-GHMZBOCLSA-N 1 0 326.194 2.009 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000930874189 1206589697 /nfs/dbraw/zinc/58/96/97/1206589697.db2.gz FMGWIZWSXDZRHL-UHFFFAOYSA-N 1 0 347.419 2.060 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000931048880 1206602968 /nfs/dbraw/zinc/60/29/68/1206602968.db2.gz LTMBXOSFSBUBFA-FZMZJTMJSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000931722178 1207448798 /nfs/dbraw/zinc/44/87/98/1207448798.db2.gz FKEFZQYOZMWCCK-ZNMIVQPWSA-N 1 0 346.431 2.399 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000932500985 1207617434 /nfs/dbraw/zinc/61/74/34/1207617434.db2.gz OTSIJSRRWBYGHD-WCBMZHEXSA-N 1 0 332.303 2.329 20 5 EEBDRO O=C(NCCCCn1ccnc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778275869 1208043497 /nfs/dbraw/zinc/04/34/97/1208043497.db2.gz NAJLVGSVNFYPSG-UHFFFAOYSA-N 1 0 338.314 2.480 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsn1 ZINC001020279836 1229600252 /nfs/dbraw/zinc/60/02/52/1229600252.db2.gz UJLSRLZZBWSBOM-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)CC1 ZINC001048831790 1238795643 /nfs/dbraw/zinc/79/56/43/1238795643.db2.gz FJVNOEVBTRUJHY-GASCZTMLSA-N 1 0 329.400 2.285 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000902987400 1239273024 /nfs/dbraw/zinc/27/30/24/1239273024.db2.gz DGQBSMWNPYUAHR-UHFFFAOYSA-N 1 0 348.403 2.360 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001097050203 1243624880 /nfs/dbraw/zinc/62/48/80/1243624880.db2.gz GQUANASRMMKWRW-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001097078192 1243674034 /nfs/dbraw/zinc/67/40/34/1243674034.db2.gz IZOSSVHPGDEXAK-JOCQHMNTSA-N 1 0 349.435 2.088 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097091629 1243690301 /nfs/dbraw/zinc/69/03/01/1243690301.db2.gz UFNMUWRNHXOSCH-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO Cc1cccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c1 ZINC001050517624 1243769162 /nfs/dbraw/zinc/76/91/62/1243769162.db2.gz XGMNIINGZSPDNU-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c([N+](=O)[O-])c1 ZINC001097227785 1243851756 /nfs/dbraw/zinc/85/17/56/1243851756.db2.gz OGBMAMSXRCUKPD-OKILXGFUSA-N 1 0 346.431 2.447 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001097227492 1243851832 /nfs/dbraw/zinc/85/18/32/1243851832.db2.gz ISSBPGUVFYOBLV-OKILXGFUSA-N 1 0 346.431 2.447 20 5 EEBDRO Cc1sccc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134841384 1278043856 /nfs/dbraw/zinc/04/38/56/1278043856.db2.gz FQDHLHWWFTYRCZ-UHFFFAOYSA-N 1 0 339.442 2.475 20 5 EEBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC000853100520 1292280699 /nfs/dbraw/zinc/28/06/99/1292280699.db2.gz GYCDVAZSSVWINW-KRWDZBQOSA-N 1 0 330.388 2.423 20 5 EEBDRO Cc1noc(COC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000853926752 1292533287 /nfs/dbraw/zinc/53/32/87/1292533287.db2.gz PQHXVFJTBQCFNI-AWEZNQCLSA-N 1 0 345.355 2.457 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000854737151 1292934513 /nfs/dbraw/zinc/93/45/13/1292934513.db2.gz NFPKAQKJNRVEFD-GOSISDBHSA-N 1 0 346.431 2.219 20 5 EEBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886841383 1296774254 /nfs/dbraw/zinc/77/42/54/1296774254.db2.gz JNNTYIUUIFWQGU-INIZCTEOSA-N 1 0 328.372 2.145 20 5 EEBDRO COCCCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222482607 1299623654 /nfs/dbraw/zinc/62/36/54/1299623654.db2.gz XPAPQJJQXSOYNB-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO CCC(=O)[C@H]1C[C@@H](OCC[N+](C)(C)C)CN1C(=O)OC(C)(C)C ZINC001224775820 1300733731 /nfs/dbraw/zinc/73/37/31/1300733731.db2.gz PRJCPHYKCCNHOR-ZIAGYGMSSA-N 1 0 329.461 2.066 20 5 EEBDRO COC(=O)c1cc(Br)cnc1O[C@H](C)C[N+](C)(C)C ZINC001226178117 1301287675 /nfs/dbraw/zinc/28/76/75/1301287675.db2.gz DLDOOKHYMZPLPA-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO CC[C@@H](C)OC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227415707 1301818710 /nfs/dbraw/zinc/81/87/10/1301818710.db2.gz ZPCJBDGARXYFQX-UKRRQHHQSA-N 1 0 338.424 2.005 20 5 EEBDRO COc1cc2ncnc(O[C@H](C)C[N+](C)(C)C)c2cc1OC(C)=O ZINC001228917720 1302520597 /nfs/dbraw/zinc/52/05/97/1302520597.db2.gz MMHJZHUUZTZEOX-LLVKDONJSA-N 1 0 334.396 2.037 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3(O)CCOCC3)CC2)cc1 ZINC000797029800 1304623375 /nfs/dbraw/zinc/62/33/75/1304623375.db2.gz ADVDCVKDVHVIMD-UHFFFAOYSA-N 1 0 349.431 2.085 20 5 EEBDRO CC(C)Oc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001234209422 1304801142 /nfs/dbraw/zinc/80/11/42/1304801142.db2.gz IFCLPKYZHAGTPB-GFCCVEGCSA-N 1 0 330.832 2.490 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(F)cc1I ZINC001234940791 1305056050 /nfs/dbraw/zinc/05/60/50/1305056050.db2.gz KRLOVVOTHMIAHX-QMMMGPOBSA-N 1 0 339.172 2.299 20 5 EEBDRO COCCCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235339323 1305198768 /nfs/dbraw/zinc/19/87/68/1305198768.db2.gz RUXXJZQQPLBZTQ-UHFFFAOYSA-N 1 0 337.420 2.350 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264810 1310249964 /nfs/dbraw/zinc/24/99/64/1310249964.db2.gz WWWRSYFUPFURJS-SRVKXCTJSA-N 1 0 332.404 2.380 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001246546592 1310337301 /nfs/dbraw/zinc/33/73/01/1310337301.db2.gz KXXPOBVBXLKUFX-SDDRHHMPSA-N 1 0 325.384 2.200 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC(O)([C@@H]3CCCC[NH2+]3)C1)CC2 ZINC001246901644 1310464061 /nfs/dbraw/zinc/46/40/61/1310464061.db2.gz YTFWQHSSADDRIU-WMZOPIPTSA-N 1 0 345.443 2.031 20 5 EEBDRO O[C@@H]1C[NH2+]C[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247749997 1310710006 /nfs/dbraw/zinc/71/00/06/1310710006.db2.gz UOOMSQRZACXAPW-KGLIPLIRSA-N 1 0 347.378 2.271 20 5 EEBDRO [NH3+][C@@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1 ZINC001248171929 1310853732 /nfs/dbraw/zinc/85/37/32/1310853732.db2.gz SNGMAGYVUWMBBQ-NSHDSACASA-N 1 0 329.291 2.421 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000841753877 1315608993 /nfs/dbraw/zinc/60/89/93/1315608993.db2.gz FXVJBLZHACLXKO-IRXDYDNUSA-N 1 0 330.388 2.419 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475796 1315712898 /nfs/dbraw/zinc/71/28/98/1315712898.db2.gz CMPAHUIEYBJGBP-OHUAYANFSA-N 1 0 338.383 2.039 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000842479748 1315713619 /nfs/dbraw/zinc/71/36/19/1315713619.db2.gz XPGCDMGCTGXLKD-NVXWUHKLSA-N 1 0 337.395 2.452 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000842737940 1315765102 /nfs/dbraw/zinc/76/51/02/1315765102.db2.gz SGNVYJWVUIKTRJ-UHFFFAOYSA-N 1 0 341.433 2.102 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842860981 1315786356 /nfs/dbraw/zinc/78/63/56/1315786356.db2.gz YIPKNEBUBWHDFN-NSHDSACASA-N 1 0 347.824 2.140 20 5 EEBDRO Cc1nc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1[C@@H](C)O ZINC000843107576 1315844053 /nfs/dbraw/zinc/84/40/53/1315844053.db2.gz SGQWOYJWSCSORB-SJKOYZFVSA-N 1 0 331.372 2.175 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108260 1315844670 /nfs/dbraw/zinc/84/46/70/1315844670.db2.gz NWQIHUDYVCJUMN-IAGOWNOFSA-N 1 0 345.399 2.373 20 5 EEBDRO C[C@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)C1CC[NH2+]CC1 ZINC000843169823 1315857624 /nfs/dbraw/zinc/85/76/24/1315857624.db2.gz SBTRYOGTWSZUNT-SNVBAGLBSA-N 1 0 331.376 2.405 20 5 EEBDRO Cc1c(Cc2noc(C[C@@H]3CSCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000843191362 1315863240 /nfs/dbraw/zinc/86/32/40/1315863240.db2.gz FRJDPXVJDRLWGV-GFCCVEGCSA-N 1 0 334.401 2.125 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843321990 1315891229 /nfs/dbraw/zinc/89/12/29/1315891229.db2.gz BANVAHUMLVFVIF-VIFPVBQESA-N 1 0 329.759 2.127 20 5 EEBDRO C[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C[NH3+] ZINC000843351108 1315896850 /nfs/dbraw/zinc/89/68/50/1315896850.db2.gz GYPQEBUZLLRMCQ-IAQYHMDHSA-N 1 0 338.383 2.122 20 5 EEBDRO CCC(=O)NC1(CCOC)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001150889220 1316402023 /nfs/dbraw/zinc/40/20/23/1316402023.db2.gz ROJTXSASYVNTFD-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1C(C)C ZINC001153893141 1316909796 /nfs/dbraw/zinc/90/97/96/1316909796.db2.gz ASQKEBCZEUKFGK-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)n1 ZINC001154849408 1317350038 /nfs/dbraw/zinc/35/00/38/1317350038.db2.gz JWLAXGJXEDEUFK-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO [NH3+]Cc1cn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cn1 ZINC001154911476 1317382855 /nfs/dbraw/zinc/38/28/55/1317382855.db2.gz ZERHOQPBRMBZAY-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO COc1cc(C)nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001155453371 1317603324 /nfs/dbraw/zinc/60/33/24/1317603324.db2.gz NCWQKIUVACJDBY-ZDUSSCGKSA-N 1 0 345.403 2.330 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155471695 1317611160 /nfs/dbraw/zinc/61/11/60/1317611160.db2.gz RSYOLJOCRBUONV-QMMMGPOBSA-N 1 0 347.202 2.477 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155620579 1317677821 /nfs/dbraw/zinc/67/78/21/1317677821.db2.gz LUOXRHKLFHDCQL-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001155624066 1317678957 /nfs/dbraw/zinc/67/89/57/1317678957.db2.gz VDUDFTKKUJSHRU-SJKOYZFVSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]C[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001156098108 1317875936 /nfs/dbraw/zinc/87/59/36/1317875936.db2.gz OXMANXREYNJVNY-NSHDSACASA-N 1 0 335.345 2.110 20 5 EEBDRO O=C(CCc1ccoc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156395234 1317994161 /nfs/dbraw/zinc/99/41/61/1317994161.db2.gz ZJIVKCSDXYBBGX-UHFFFAOYSA-N 1 0 331.372 2.417 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001156472703 1318029058 /nfs/dbraw/zinc/02/90/58/1318029058.db2.gz XNKHGLVQBKOVQZ-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO [NH3+]CCN(c1cccnc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466556 1318081262 /nfs/dbraw/zinc/08/12/62/1318081262.db2.gz CATJRLWYJIIXTP-UHFFFAOYSA-N 1 0 341.415 2.424 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)c3cccnc3)CC2)cc1 ZINC001254472903 1318083171 /nfs/dbraw/zinc/08/31/71/1318083171.db2.gz UJKZTBXVWTZDBK-GOSISDBHSA-N 1 0 342.399 2.282 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OC3COC3)ccn1)C2 ZINC001254573503 1318125713 /nfs/dbraw/zinc/12/57/13/1318125713.db2.gz ARLPIHWHBYGQIQ-CQSZACIVSA-N 1 0 341.367 2.024 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC001254571753 1318126681 /nfs/dbraw/zinc/12/66/81/1318126681.db2.gz BFOPJDBUJNPCJC-RDJZCZTQSA-N 1 0 328.368 2.092 20 5 EEBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599425 1318140519 /nfs/dbraw/zinc/14/05/19/1318140519.db2.gz ZFGQFPYVNVVVOH-AEFFLSMTSA-N 1 0 329.400 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(O)(C(F)(F)F)CC1)C2 ZINC001254601067 1318141172 /nfs/dbraw/zinc/14/11/72/1318141172.db2.gz XVDLUVRNARBDHE-CYBMUJFWSA-N 1 0 330.306 2.451 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(N3CC(F)(F)C3)CC1)C2 ZINC001254604965 1318142069 /nfs/dbraw/zinc/14/20/69/1318142069.db2.gz ZPJWODARLRAXAO-INIZCTEOSA-N 1 0 337.370 2.477 20 5 EEBDRO COc1cc2ncnc(N(C)[C@]3(C)CCC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001156967999 1318316381 /nfs/dbraw/zinc/31/63/81/1318316381.db2.gz NEWJTRGQOYWOLC-MRXNPFEDSA-N 1 0 331.376 2.125 20 5 EEBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c2ccc(O)cc12 ZINC001157220963 1318498182 /nfs/dbraw/zinc/49/81/82/1318498182.db2.gz SYBNYHLFUGMBRJ-UHFFFAOYSA-N 1 0 348.746 2.032 20 5 EEBDRO CCN(Cc1cccc(F)c1F)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157366763 1318582309 /nfs/dbraw/zinc/58/23/09/1318582309.db2.gz UPXSOCTWXPSULO-UHFFFAOYSA-N 1 0 349.341 2.376 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084408 1318642519 /nfs/dbraw/zinc/64/25/19/1318642519.db2.gz CLMKDBAIAHVOAK-OAHLLOKOSA-N 1 0 348.447 2.256 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC[C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256100495 1318647434 /nfs/dbraw/zinc/64/74/34/1318647434.db2.gz HKOKFUOXFORMOE-CYBMUJFWSA-N 1 0 337.420 2.180 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767740 1318847195 /nfs/dbraw/zinc/84/71/95/1318847195.db2.gz SIYXXCFMXMLQSN-DGCLKSJQSA-N 1 0 346.214 2.255 20 5 EEBDRO CCc1cc(NC2(CC)C[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157787480 1318860473 /nfs/dbraw/zinc/86/04/73/1318860473.db2.gz JNOMDTKQQXLINT-UHFFFAOYSA-N 1 0 327.388 2.200 20 5 EEBDRO Cc1nc(CC[NH3+])nn1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001158130808 1319033280 /nfs/dbraw/zinc/03/32/80/1319033280.db2.gz INEQDCTXBKVICU-UHFFFAOYSA-N 1 0 332.751 2.187 20 5 EEBDRO COc1cc(N(c2ncc(F)cc2[N+](=O)[O-])C2CC[NH2+]CC2)ccn1 ZINC001158326372 1319176624 /nfs/dbraw/zinc/17/66/24/1319176624.db2.gz VWGZASSPHYEHAN-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]1 ZINC001158629431 1319345065 /nfs/dbraw/zinc/34/50/65/1319345065.db2.gz ZAWOAJPNBBOXJH-SECBINFHSA-N 1 0 342.783 2.374 20 5 EEBDRO Cc1nc(Cl)nc(N2CCCc3ccc(C[NH3+])nc32)c1[N+](=O)[O-] ZINC001158647191 1319353171 /nfs/dbraw/zinc/35/31/71/1319353171.db2.gz KKRGLLFSGFLHHD-UHFFFAOYSA-N 1 0 334.767 2.285 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001159019227 1319560363 /nfs/dbraw/zinc/56/03/63/1319560363.db2.gz FRYMPPFMUVMBNA-UHFFFAOYSA-N 1 0 333.779 2.381 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)c2c1 ZINC001159028577 1319568163 /nfs/dbraw/zinc/56/81/63/1319568163.db2.gz GAHLELRSRWFIKQ-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COCCC(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159068479 1319591848 /nfs/dbraw/zinc/59/18/48/1319591848.db2.gz FTBUSCDPDBWGAG-UHFFFAOYSA-N 1 0 347.415 2.270 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160201818 1320097355 /nfs/dbraw/zinc/09/73/55/1320097355.db2.gz VEJQZWFBYLYQIG-JTQLQIEISA-N 1 0 325.328 2.329 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cncc2-c2cccc(C[NH3+])c2)n1 ZINC001162564260 1320900019 /nfs/dbraw/zinc/90/00/19/1320900019.db2.gz WMFWGNBQELPUNN-UHFFFAOYSA-N 1 0 340.343 2.013 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cn2ccnc12 ZINC001162965009 1320998688 /nfs/dbraw/zinc/99/86/88/1320998688.db2.gz FIMJEMCVRMYOPQ-AWEZNQCLSA-N 1 0 345.403 2.203 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163137389 1321049176 /nfs/dbraw/zinc/04/91/76/1321049176.db2.gz HNKNSDBOFPRSKU-BPLDGKMQSA-N 1 0 326.356 2.056 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163321866 1321096934 /nfs/dbraw/zinc/09/69/34/1321096934.db2.gz DZOJKPNXEBXKHG-ZANVPECISA-N 1 0 346.309 2.332 20 5 EEBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001163457202 1321129515 /nfs/dbraw/zinc/12/95/15/1321129515.db2.gz SFDAZXQLLSNHDK-AWEZNQCLSA-N 1 0 349.435 2.139 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164469059 1321388373 /nfs/dbraw/zinc/38/83/73/1321388373.db2.gz WRRQGNTWRAZSIW-HTQZYQBOSA-N 1 0 331.829 2.324 20 5 EEBDRO Cc1ccc(C)c(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001164490397 1321394547 /nfs/dbraw/zinc/39/45/47/1321394547.db2.gz HWZUUJZJAPZMIT-IAGOWNOFSA-N 1 0 345.443 2.345 20 5 EEBDRO Nc1nc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001165082027 1321452056 /nfs/dbraw/zinc/45/20/56/1321452056.db2.gz CHYSOKTZJUJWRX-HOCLYGCPSA-N 1 0 339.399 2.283 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C1 ZINC001165152499 1321466589 /nfs/dbraw/zinc/46/65/89/1321466589.db2.gz XZXHQQIHHRWZAX-DTORHVGOSA-N 1 0 332.738 2.186 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001261550983 1322129803 /nfs/dbraw/zinc/12/98/03/1322129803.db2.gz SUZKYQSCNONKQM-CVEARBPZSA-N 1 0 332.404 2.383 20 5 EEBDRO CNC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214866 1331517466 /nfs/dbraw/zinc/51/74/66/1331517466.db2.gz WPBZDBGJBZQMCE-OAHLLOKOSA-N 1 0 340.383 2.105 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001308161273 1331568721 /nfs/dbraw/zinc/56/87/21/1331568721.db2.gz BHVBXPXEVSOIIM-KRWDZBQOSA-N 1 0 330.388 2.083 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318433218 1332533425 /nfs/dbraw/zinc/53/34/25/1332533425.db2.gz GIOGJVDBRNXBKS-KGLIPLIRSA-N 1 0 341.433 2.054 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C1 ZINC001318906631 1332621180 /nfs/dbraw/zinc/62/11/80/1332621180.db2.gz MMXHTIUJYIXIHU-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2c([N+](=O)[O-])cnn2C)o1 ZINC001328391021 1334453421 /nfs/dbraw/zinc/45/34/21/1334453421.db2.gz OOMAPYLEOSIPOS-NSHDSACASA-N 1 0 334.380 2.214 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc21 ZINC001331113084 1334965540 /nfs/dbraw/zinc/96/55/40/1334965540.db2.gz QBAWAVOIAXYPCN-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO Cc1cc(NCC[N@H+]2CCCC[C@H]2C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409282 1351965014 /nfs/dbraw/zinc/96/50/14/1351965014.db2.gz FZKOJXOAVXXQFN-GFCCVEGCSA-N 1 0 345.407 2.370 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332627198 1335866712 /nfs/dbraw/zinc/86/67/12/1335866712.db2.gz DTZGRPQUZLPXLZ-UHFFFAOYSA-N 1 0 332.404 2.052 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001335843869 1336436156 /nfs/dbraw/zinc/43/61/56/1336436156.db2.gz SCZVULVFFVXZQR-LLVKDONJSA-N 1 0 332.326 2.271 20 5 EEBDRO Cc1cc[nH]c1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066683 1336952902 /nfs/dbraw/zinc/95/29/02/1336952902.db2.gz WTLTWNQPCCTTLU-UHFFFAOYSA-N 1 0 343.387 2.235 20 5 EEBDRO [NH3+]CC[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001341526557 1337294895 /nfs/dbraw/zinc/29/48/95/1337294895.db2.gz REMLRHVJWLKMDV-ZDUSSCGKSA-N 1 0 341.367 2.453 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)OCCc1cn2c(n1)CCCC2 ZINC001343661470 1337344235 /nfs/dbraw/zinc/34/42/35/1337344235.db2.gz WZZFZMHESZEVSV-UHFFFAOYSA-N 1 0 345.355 2.292 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001345001170 1337417480 /nfs/dbraw/zinc/41/74/80/1337417480.db2.gz ZGBWPNWXBVFRPK-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001200164876 1338103628 /nfs/dbraw/zinc/10/36/28/1338103628.db2.gz WUEIXTIZDFMWOH-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481318 1338705959 /nfs/dbraw/zinc/70/59/59/1338705959.db2.gz XQHOLEKGWOTAKN-CQSZACIVSA-N 1 0 329.404 2.299 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001576017096 1343946407 /nfs/dbraw/zinc/94/64/07/1343946407.db2.gz NXXHBLPOEQWQHS-MGPQQGTHSA-N 1 0 334.420 2.467 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734124 1344410788 /nfs/dbraw/zinc/41/07/88/1344410788.db2.gz OOKWHSWGZVKGFC-KSSFIOAISA-N 1 0 346.431 2.293 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]2CC[C@]21C[NH3+] ZINC001579733938 1344411155 /nfs/dbraw/zinc/41/11/55/1344411155.db2.gz FZTHBUVHTJHZJY-GUYCJALGSA-N 1 0 332.404 2.045 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001580227867 1344495010 /nfs/dbraw/zinc/49/50/10/1344495010.db2.gz DJQAGXJIZNGALN-QMMMGPOBSA-N 1 0 345.199 2.233 20 5 EEBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001580289045 1344507094 /nfs/dbraw/zinc/50/70/94/1344507094.db2.gz JKTBQGGWSNFUBI-LBPRGKRZSA-N 1 0 340.383 2.345 20 5 EEBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603893705 1350795791 /nfs/dbraw/zinc/79/57/91/1350795791.db2.gz AMVSXJJSFJGPIN-NEPJUHHUSA-N 1 0 345.407 2.450 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110598080 1369127979 /nfs/dbraw/zinc/12/79/79/1369127979.db2.gz JKJCSDVKDLJBMD-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286398463 1369749794 /nfs/dbraw/zinc/74/97/94/1369749794.db2.gz ZJWPEIXZPKZMGO-NNQSOWQGSA-N 1 0 346.431 2.358 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(N(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001115144968 1371529816 /nfs/dbraw/zinc/52/98/16/1371529816.db2.gz WIWCLBYACULPPK-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122008111 1371940044 /nfs/dbraw/zinc/94/00/44/1371940044.db2.gz URBMULKUNVZUFS-DLBZAZTESA-N 1 0 325.368 2.473 20 5 EEBDRO O=[N+]([O-])c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725222 720333054 /nfs/dbraw/zinc/33/30/54/720333054.db2.gz MRDCRFZJXFWONI-JKSUJKDBSA-N 1 0 325.372 2.238 20 5 EEBDRO Cc1cc(NC(=N)SCC[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167912941 760792464 /nfs/dbraw/zinc/79/24/64/760792464.db2.gz IIVRJJNBXVLPPU-UHFFFAOYSA-N 1 0 332.389 2.399 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001091456880 790888697 /nfs/dbraw/zinc/88/86/97/790888697.db2.gz PUHZEYILPNLTCQ-SHTZXODSSA-N 1 0 346.431 2.306 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907959192 784987846 /nfs/dbraw/zinc/98/78/46/784987846.db2.gz JPJPUBWGBMSUGO-UHFFFAOYSA-N 1 0 340.811 2.388 20 5 EEBDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819149726 785423599 /nfs/dbraw/zinc/42/35/99/785423599.db2.gz LHLLDAXQCSEOMI-GFCCVEGCSA-N 1 0 330.768 2.042 20 5 EEBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819112696 785430584 /nfs/dbraw/zinc/43/05/84/785430584.db2.gz HYLZBRZFOZNDPM-RWMBFGLXSA-N 1 0 326.418 2.208 20 5 EEBDRO Cc1cccn2cc(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000819125380 785434018 /nfs/dbraw/zinc/43/40/18/785434018.db2.gz DTBPTXKVVURKOY-KRWDZBQOSA-N 1 0 340.383 2.417 20 5 EEBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000819129200 785435720 /nfs/dbraw/zinc/43/57/20/785435720.db2.gz DCBDHWIFRQGIFP-INIZCTEOSA-N 1 0 330.388 2.423 20 5 EEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000819931797 785698740 /nfs/dbraw/zinc/69/87/40/785698740.db2.gz UVXFPTFXKSLTPP-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107233221 786548702 /nfs/dbraw/zinc/54/87/02/786548702.db2.gz MRUDGLQMHWTLEP-PLNGDYQASA-N 1 0 338.383 2.158 20 5 EEBDRO COc1nc(SC)nc(N[C@H]2C[C@H]3CC[N@H+](C2)[C@H]3C)c1[N+](=O)[O-] ZINC001170964028 786738660 /nfs/dbraw/zinc/73/86/60/786738660.db2.gz IGSAEQUTIRLZSO-AEJSXWLSSA-N 1 0 339.421 2.010 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCC[NH+](C)C ZINC001109598159 805740811 /nfs/dbraw/zinc/74/08/11/805740811.db2.gz NAZDSAQFWLWWBE-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968276 788003074 /nfs/dbraw/zinc/00/30/74/788003074.db2.gz NPTGZWNMVOBRGT-NSHDSACASA-N 1 0 335.408 2.371 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823981390 788007293 /nfs/dbraw/zinc/00/72/93/788007293.db2.gz XBNNEJNEKWHISO-LBPRGKRZSA-N 1 0 335.408 2.276 20 5 EEBDRO C[N@H+](CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000824615587 788244255 /nfs/dbraw/zinc/24/42/55/788244255.db2.gz JAVJZWRQOKOYIM-KRWDZBQOSA-N 1 0 349.431 2.399 20 5 EEBDRO CCCc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001171071616 788342598 /nfs/dbraw/zinc/34/25/98/788342598.db2.gz CMWXNGFAEGMGTJ-UHFFFAOYSA-N 1 0 346.387 2.445 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000825187787 788470970 /nfs/dbraw/zinc/47/09/70/788470970.db2.gz DATLEQYMYSHOGU-OLZOCXBDSA-N 1 0 332.404 2.052 20 5 EEBDRO COc1ncc([N+](=O)[O-])c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)n1 ZINC001171090811 788665427 /nfs/dbraw/zinc/66/54/27/788665427.db2.gz NHUYRRXRFQOHQY-SNVBAGLBSA-N 1 0 339.355 2.153 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000923376023 789458918 /nfs/dbraw/zinc/45/89/18/789458918.db2.gz SZMYFTJSQCYGER-ROUUACIJSA-N 1 0 327.384 2.275 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000923438391 789547840 /nfs/dbraw/zinc/54/78/40/789547840.db2.gz ZBMZWKFQKOXORH-GRYCIOLGSA-N 1 0 338.383 2.133 20 5 EEBDRO O=C(Cc1ccc[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997340255 789643624 /nfs/dbraw/zinc/64/36/24/789643624.db2.gz ZBVVXUXSJYWXOM-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc3ccc(C[NH3+])cc3n2)c1 ZINC001171324369 792271723 /nfs/dbraw/zinc/27/17/23/792271723.db2.gz ZRXMIDPHYWTSSW-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO COc1ccccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148728175 792658683 /nfs/dbraw/zinc/65/86/83/792658683.db2.gz YRODXNORYZORAP-UHFFFAOYSA-N 1 0 335.385 2.185 20 5 EEBDRO C[NH+](C)CCOc1cc(NCCOc2cccnc2)ccc1[N+](=O)[O-] ZINC001168620260 793852836 /nfs/dbraw/zinc/85/28/36/793852836.db2.gz GXXAHXXDQSEDQG-UHFFFAOYSA-N 1 0 346.387 2.421 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093753081 795658198 /nfs/dbraw/zinc/65/81/98/795658198.db2.gz NCTOGHGATJUAIQ-UHFFFAOYSA-N 1 0 347.350 2.037 20 5 EEBDRO Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000444042377 796602761 /nfs/dbraw/zinc/60/27/61/796602761.db2.gz JGSDUDZOQJMHEQ-CQSZACIVSA-N 1 0 343.387 2.418 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(N3CCCC3)COC1)CC2 ZINC001172900786 797129168 /nfs/dbraw/zinc/12/91/68/797129168.db2.gz FOVJISLKKPIJDW-KRWDZBQOSA-N 1 0 345.443 2.297 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(C[C@H](O)CO3)CC1)CC2 ZINC001172903723 797131205 /nfs/dbraw/zinc/13/12/05/797131205.db2.gz IYHCOHKXQZPGOO-AEFFLSMTSA-N 1 0 346.427 2.458 20 5 EEBDRO O=c1[nH]n([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2c1C[NH2+]CC2 ZINC001172921853 797152011 /nfs/dbraw/zinc/15/20/11/797152011.db2.gz UUMVJPHRAGUVNQ-ZDUSSCGKSA-N 1 0 328.372 2.263 20 5 EEBDRO Cc1ncc(CO)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC001173216834 797296899 /nfs/dbraw/zinc/29/68/99/797296899.db2.gz JRIHOVVTHMPGMY-LLVKDONJSA-N 1 0 331.372 2.217 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001173235833 797312802 /nfs/dbraw/zinc/31/28/02/797312802.db2.gz ZRMKQPFGSGHEQO-LBPRGKRZSA-N 1 0 326.418 2.035 20 5 EEBDRO Cc1ccc(NC2CCN(C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095248654 797589081 /nfs/dbraw/zinc/58/90/81/797589081.db2.gz PUGSQBZTPHSABO-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002781449 798602792 /nfs/dbraw/zinc/60/27/92/798602792.db2.gz CHYNUSDZPONMBZ-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO C[NH+](C)CCCC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089984652 798790669 /nfs/dbraw/zinc/79/06/69/798790669.db2.gz BGTNXGLHCQCAPD-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000786149016 806698288 /nfs/dbraw/zinc/69/82/88/806698288.db2.gz JPUGLCSVGQSHCA-OAHLLOKOSA-N 1 0 338.404 2.129 20 5 EEBDRO CCSCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155075253 801630843 /nfs/dbraw/zinc/63/08/43/801630843.db2.gz OTRAFPFWHSAFSS-UHFFFAOYSA-N 1 0 331.463 2.395 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001086338556 802779064 /nfs/dbraw/zinc/77/90/64/802779064.db2.gz UWYVBKZLMJSGQM-KOMQPUFPSA-N 1 0 342.399 2.232 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001086511814 803181838 /nfs/dbraw/zinc/18/18/38/803181838.db2.gz HCDIWEIMVPKPSN-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964636 803552240 /nfs/dbraw/zinc/55/22/40/803552240.db2.gz UTQNYFCUTFSYHH-HZSPNIEDSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)C1 ZINC001168967903 803553151 /nfs/dbraw/zinc/55/31/51/803553151.db2.gz UMKJLCWSPGIYRB-MSOLQXFVSA-N 1 0 333.432 2.054 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](F)C1 ZINC001168969118 803553239 /nfs/dbraw/zinc/55/32/39/803553239.db2.gz CLFKGFZVNYGXLC-ZOBORPQBSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)C1 ZINC001168998817 803563885 /nfs/dbraw/zinc/56/38/85/803563885.db2.gz QGYOMQHTCSYYKN-UKRRQHHQSA-N 1 0 337.395 2.304 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1cccnc1 ZINC001168999895 803565161 /nfs/dbraw/zinc/56/51/61/803565161.db2.gz WBVPELBALYWKAT-DZUCGIPZSA-N 1 0 346.431 2.158 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012498 803571049 /nfs/dbraw/zinc/57/10/49/803571049.db2.gz QPKNABSYNRUDJP-OLZOCXBDSA-N 1 0 325.409 2.127 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169011715 803571072 /nfs/dbraw/zinc/57/10/72/803571072.db2.gz MHYJJSHQWYHBTE-HZSPNIEDSA-N 1 0 327.425 2.373 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001168990952 803574299 /nfs/dbraw/zinc/57/42/99/803574299.db2.gz FVSYIZINVYJVTC-UONOGXRCSA-N 1 0 326.368 2.386 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169018024 803586439 /nfs/dbraw/zinc/58/64/39/803586439.db2.gz BIOFWDBLZKTWDB-KGLIPLIRSA-N 1 0 327.425 2.375 20 5 EEBDRO O=C(c1ccccc1)N1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169022332 803588429 /nfs/dbraw/zinc/58/84/29/803588429.db2.gz SCYDRCICTPKBCN-LAVFITLUSA-N 1 0 343.427 2.136 20 5 EEBDRO CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047604 803593305 /nfs/dbraw/zinc/59/33/05/803593305.db2.gz RMELBBIRRWLWIP-QWHCGFSZSA-N 1 0 327.425 2.278 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)c1 ZINC001169590959 803863863 /nfs/dbraw/zinc/86/38/63/803863863.db2.gz ALVSCFRFAMQFTI-UHFFFAOYSA-N 1 0 342.355 2.319 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1c[nH]nc1C1CC1 ZINC001169994401 805361790 /nfs/dbraw/zinc/36/17/90/805361790.db2.gz QNLQUCYNXWVWIY-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000787241848 807050173 /nfs/dbraw/zinc/05/01/73/807050173.db2.gz HJKUWLLQQSGBBM-AAEUAGOBSA-N 1 0 332.360 2.094 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC000791296017 809159091 /nfs/dbraw/zinc/15/90/91/809159091.db2.gz CDZSCVQBYDPNGG-INIZCTEOSA-N 1 0 346.362 2.349 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC(=O)CO3)CC2)c([N+](=O)[O-])c1 ZINC001170334725 809899248 /nfs/dbraw/zinc/89/92/48/809899248.db2.gz HXQJOWRVFHPSDE-CYBMUJFWSA-N 1 0 348.399 2.358 20 5 EEBDRO CCc1cnccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130607424 811850672 /nfs/dbraw/zinc/85/06/72/811850672.db2.gz FNAXKSBNNQCEQQ-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000177093554 231795307 /nfs/dbraw/zinc/79/53/07/231795307.db2.gz SIOIACXTGSADAB-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414945117 529997677 /nfs/dbraw/zinc/99/76/77/529997677.db2.gz HWKOIXNKLYGVFU-QMMMGPOBSA-N 1 0 332.307 2.173 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183674738 235192655 /nfs/dbraw/zinc/19/26/55/235192655.db2.gz IDYVHSAIEFOZGX-HNNXBMFYSA-N 1 0 326.393 2.369 20 5 EEBDRO Cc1c(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cccc1[N+](=O)[O-] ZINC000422912535 240288922 /nfs/dbraw/zinc/28/89/22/240288922.db2.gz NEFNOKASHIEHBJ-CYBMUJFWSA-N 1 0 329.360 2.277 20 5 EEBDRO [NH3+]CC1(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000423227092 240411802 /nfs/dbraw/zinc/41/18/02/240411802.db2.gz ULGLZSCRSJVIOK-UHFFFAOYSA-N 1 0 333.388 2.094 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC1([NH+](C)C)CCC1 ZINC000445874865 242137150 /nfs/dbraw/zinc/13/71/50/242137150.db2.gz LJWZSFCWHSUMON-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000236873367 242390754 /nfs/dbraw/zinc/39/07/54/242390754.db2.gz VDGQFCYMTNFJGS-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237668346 242747696 /nfs/dbraw/zinc/74/76/96/242747696.db2.gz JIZJLZDRRBBYMV-KBPBESRZSA-N 1 0 334.420 2.339 20 5 EEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451418086 243105891 /nfs/dbraw/zinc/10/58/91/243105891.db2.gz LZLCBGJBUBTRQF-BJJXKVORSA-N 1 0 333.388 2.159 20 5 EEBDRO O=C(CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451698052 243210731 /nfs/dbraw/zinc/21/07/31/243210731.db2.gz RPIMXIUXRUXHQJ-MGPQQGTHSA-N 1 0 333.388 2.016 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000246338642 243232817 /nfs/dbraw/zinc/23/28/17/243232817.db2.gz KZFLMFSQIMOBBB-BBRMVZONSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CC[NH2+]C1 ZINC000133817659 223448906 /nfs/dbraw/zinc/44/89/06/223448906.db2.gz BOYJFNXDZNNLQK-QMMMGPOBSA-N 1 0 347.156 2.221 20 5 EEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449670362 284125647 /nfs/dbraw/zinc/12/56/47/284125647.db2.gz ZOJVJNOKBQGKQB-GFCCVEGCSA-N 1 0 325.271 2.068 20 5 EEBDRO COc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1[N+](=O)[O-] ZINC000262217615 244868669 /nfs/dbraw/zinc/86/86/69/244868669.db2.gz FKAZWKYTORSFHH-HFZWIWRYSA-N 1 0 347.415 2.373 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262590625 245050366 /nfs/dbraw/zinc/05/03/66/245050366.db2.gz SQNAFBGEUHLMFP-UHFFFAOYSA-N 1 0 343.811 2.460 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CC[NH3+] ZINC000424049833 296208507 /nfs/dbraw/zinc/20/85/07/296208507.db2.gz ZLFBASAANRVVKI-SECBINFHSA-N 1 0 329.784 2.259 20 5 EEBDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000265018474 247139456 /nfs/dbraw/zinc/13/94/56/247139456.db2.gz CEYKPDYQZYPYEO-ZDUSSCGKSA-N 1 0 335.404 2.484 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000266389761 248277585 /nfs/dbraw/zinc/27/75/85/248277585.db2.gz JPPRIAIAVWOQFC-CQSZACIVSA-N 1 0 344.415 2.350 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000266451281 248307619 /nfs/dbraw/zinc/30/76/19/248307619.db2.gz AYMQSHDFCLVMKU-ZBFHGGJFSA-N 1 0 332.404 2.063 20 5 EEBDRO Cc1nc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000268539964 252007526 /nfs/dbraw/zinc/00/75/26/252007526.db2.gz ZBUIBKUIDKHUSL-HUUCEWRRSA-N 1 0 347.463 2.293 20 5 EEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000171563562 533067909 /nfs/dbraw/zinc/06/79/09/533067909.db2.gz BRVOVGOTUZNQEG-UHFFFAOYSA-N 1 0 348.384 2.022 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000267939309 256098309 /nfs/dbraw/zinc/09/83/09/256098309.db2.gz HCVRCABAEKOCDM-ZDUSSCGKSA-N 1 0 348.403 2.163 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497419 256141728 /nfs/dbraw/zinc/14/17/28/256141728.db2.gz JXWBTEDZZWRKRQ-CZUORRHYSA-N 1 0 334.420 2.119 20 5 EEBDRO C[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268123610 256116167 /nfs/dbraw/zinc/11/61/67/256116167.db2.gz RKPOGQNEKWGNBV-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000270577228 256150293 /nfs/dbraw/zinc/15/02/93/256150293.db2.gz PQETVXCXRCHFGV-USXIJHARSA-N 1 0 349.431 2.282 20 5 EEBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000270611430 256153179 /nfs/dbraw/zinc/15/31/79/256153179.db2.gz ZFVWJSYHMJDGSZ-HNNXBMFYSA-N 1 0 345.399 2.466 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000270755064 256168174 /nfs/dbraw/zinc/16/81/74/256168174.db2.gz DEJSYYKESMNKKQ-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000270552129 256147361 /nfs/dbraw/zinc/14/73/61/256147361.db2.gz RMMPEQNXQBYJNW-MRXNPFEDSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283049 256228763 /nfs/dbraw/zinc/22/87/63/256228763.db2.gz CJRYJVXVRWEZBF-JOYOIKCWSA-N 1 0 349.416 2.012 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119130767 221250325 /nfs/dbraw/zinc/25/03/25/221250325.db2.gz AQBSFCAICXUHRY-CYBMUJFWSA-N 1 0 331.376 2.107 20 5 EEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273948102 256340751 /nfs/dbraw/zinc/34/07/51/256340751.db2.gz MLIZOSDSVBPPIL-GFCCVEGCSA-N 1 0 328.376 2.417 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-n2cccn2)c1 ZINC000183566095 533407266 /nfs/dbraw/zinc/40/72/66/533407266.db2.gz QYYGUAAZMWLYKQ-CYBMUJFWSA-N 1 0 326.360 2.328 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120375087 142387357 /nfs/dbraw/zinc/38/73/57/142387357.db2.gz IYWHXBZMGWZNQS-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346238246 152866606 /nfs/dbraw/zinc/86/66/06/152866606.db2.gz OHVSMRRZPMZZBH-HEHGZKQESA-N 1 0 347.415 2.406 20 5 EEBDRO COc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000354018702 153058773 /nfs/dbraw/zinc/05/87/73/153058773.db2.gz ROWSCPXKEJSOND-HNNXBMFYSA-N 1 0 336.388 2.373 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000127667920 292328837 /nfs/dbraw/zinc/32/88/37/292328837.db2.gz KCKZBNJDNPHVCH-CYBMUJFWSA-N 1 0 348.359 2.101 20 5 EEBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261540736 160399265 /nfs/dbraw/zinc/39/92/65/160399265.db2.gz HPGIPPOYBKHLAS-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](C)CC1 ZINC000068350442 159019102 /nfs/dbraw/zinc/01/91/02/159019102.db2.gz ZAZPOGAYGMZHPE-SNVBAGLBSA-N 1 0 341.795 2.226 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670717 159225440 /nfs/dbraw/zinc/22/54/40/159225440.db2.gz NNYPKAHDERUBFE-JTQLQIEISA-N 1 0 329.198 2.283 20 5 EEBDRO C[N@H+](CCC1CCOCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000120646878 159393446 /nfs/dbraw/zinc/39/34/46/159393446.db2.gz FGYXQRLGALSWJO-INIZCTEOSA-N 1 0 338.404 2.083 20 5 EEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194822980 160201112 /nfs/dbraw/zinc/20/11/12/160201112.db2.gz CEGKKRVQAMKYPA-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245757707 160251990 /nfs/dbraw/zinc/25/19/90/160251990.db2.gz FPVYDASFGWSRKT-VQHPVUNQSA-N 1 0 345.399 2.247 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000247013533 160305808 /nfs/dbraw/zinc/30/58/08/160305808.db2.gz ZESMKQNUHJSWJH-WWGRRREGSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342650889 161080654 /nfs/dbraw/zinc/08/06/54/161080654.db2.gz IBVBFBZUCGGYLY-JTQLQIEISA-N 1 0 328.800 2.388 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342871359 161097125 /nfs/dbraw/zinc/09/71/25/161097125.db2.gz DXNVJFLYWIIKGU-LLVKDONJSA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343803973 161169847 /nfs/dbraw/zinc/16/98/47/161169847.db2.gz WEHNNHIPRBFLNO-OTYXRUKQSA-N 1 0 327.331 2.014 20 5 EEBDRO C[N@H+](CCc1ccccc1O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344163803 161203989 /nfs/dbraw/zinc/20/39/89/161203989.db2.gz NMVWVFWCGFNVMP-OAHLLOKOSA-N 1 0 346.383 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CSC[C@H]1C ZINC000352807211 162295923 /nfs/dbraw/zinc/29/59/23/162295923.db2.gz WQMIDUYOIBAJMO-MFKMUULPSA-N 1 0 339.417 2.273 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000352817111 162298443 /nfs/dbraw/zinc/29/84/43/162298443.db2.gz PQYSKNRFDXCYBT-HUUCEWRRSA-N 1 0 346.431 2.400 20 5 EEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355801381 163306353 /nfs/dbraw/zinc/30/63/53/163306353.db2.gz SSPUAZBGABDCGF-UHFFFAOYSA-N 1 0 343.449 2.334 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367869987 166013254 /nfs/dbraw/zinc/01/32/54/166013254.db2.gz YSWMGODTZZAHRK-DZGCQCFKSA-N 1 0 332.404 2.092 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358904796 164012599 /nfs/dbraw/zinc/01/25/99/164012599.db2.gz OLZTUKIZGZEZEB-UHFFFAOYSA-N 1 0 343.387 2.077 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159757232 225272785 /nfs/dbraw/zinc/27/27/85/225272785.db2.gz ANCGLIAPTZEXPC-UHFFFAOYSA-N 1 0 343.387 2.075 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1C ZINC000161244780 225583232 /nfs/dbraw/zinc/58/32/32/225583232.db2.gz NUEJDZACOPXLEH-AWEZNQCLSA-N 1 0 343.449 2.206 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000271761100 268856247 /nfs/dbraw/zinc/85/62/47/268856247.db2.gz VOTRLLCOAUNNDY-DOMZBBRYSA-N 1 0 340.330 2.171 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272772978 269018025 /nfs/dbraw/zinc/01/80/25/269018025.db2.gz CLFBRXGOSPXTBB-NSHDSACASA-N 1 0 334.376 2.375 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000275258598 269105529 /nfs/dbraw/zinc/10/55/29/269105529.db2.gz RPXRYPMOGQYWPE-UKRRQHHQSA-N 1 0 337.376 2.089 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000277580978 269161809 /nfs/dbraw/zinc/16/18/09/269161809.db2.gz MDRUCLQVGMRNIM-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000277609681 269162601 /nfs/dbraw/zinc/16/26/01/269162601.db2.gz AWKSYSZRYGIFQT-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1cccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278507733 269234752 /nfs/dbraw/zinc/23/47/52/269234752.db2.gz MACUJUSUYWSJMC-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3CCO)o2)cc1 ZINC000279277052 269266117 /nfs/dbraw/zinc/26/61/17/269266117.db2.gz OBXYWDYXQGJLNH-BXUZGUMPSA-N 1 0 332.360 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3CCO)o2)cc1 ZINC000279277064 269266143 /nfs/dbraw/zinc/26/61/43/269266143.db2.gz OBXYWDYXQGJLNH-SMDDNHRTSA-N 1 0 332.360 2.286 20 5 EEBDRO C[C@H]1OCC[C@@]12CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270795 269345026 /nfs/dbraw/zinc/34/50/26/269345026.db2.gz CYRZDXGTQVPBAW-BDJLRTHQSA-N 1 0 333.344 2.116 20 5 EEBDRO CN(C(=O)C[NH2+][C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000282102165 269464505 /nfs/dbraw/zinc/46/45/05/269464505.db2.gz PHOSJILTGUOQGV-INIZCTEOSA-N 1 0 347.415 2.497 20 5 EEBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000415381754 273563591 /nfs/dbraw/zinc/56/35/91/273563591.db2.gz JCMBCVJTDGRSRQ-AWEZNQCLSA-N 1 0 343.387 2.357 20 5 EEBDRO CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C[NH3+])C1 ZINC000359050471 274064248 /nfs/dbraw/zinc/06/42/48/274064248.db2.gz CNYVPTNQFGXVPF-HZPDHXFCSA-N 1 0 337.420 2.320 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000185357847 274164814 /nfs/dbraw/zinc/16/48/14/274164814.db2.gz HBHZVMMPUKJKPR-UHFFFAOYSA-N 1 0 344.371 2.334 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272342121 274167660 /nfs/dbraw/zinc/16/76/60/274167660.db2.gz NHVFKXRYWKVRFK-MNOVXSKESA-N 1 0 349.416 2.202 20 5 EEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000274447628 274197249 /nfs/dbraw/zinc/19/72/49/274197249.db2.gz HWNTZQYNXJEKRT-LLVKDONJSA-N 1 0 328.363 2.311 20 5 EEBDRO C[C@@H](CO)[N@@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450476104 274227751 /nfs/dbraw/zinc/22/77/51/274227751.db2.gz NAMAKTQYHLPMOJ-ZDUSSCGKSA-N 1 0 330.388 2.036 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278457600 274358233 /nfs/dbraw/zinc/35/82/33/274358233.db2.gz XVCLFDNVTJPJSN-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286764889 274903992 /nfs/dbraw/zinc/90/39/92/274903992.db2.gz GETQQVFUIQGTFT-GDBMZVCRSA-N 1 0 346.431 2.482 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000287958934 275010064 /nfs/dbraw/zinc/01/00/64/275010064.db2.gz YXBZIPHSCWRCMW-UHFFFAOYSA-N 1 0 334.376 2.063 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)cc1OC(F)F ZINC000288837819 275087826 /nfs/dbraw/zinc/08/78/26/275087826.db2.gz CFURTCLVQMWKPV-LBPRGKRZSA-N 1 0 345.346 2.455 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCCOC ZINC000289673456 275138041 /nfs/dbraw/zinc/13/80/41/275138041.db2.gz FMWCCRULNDPAFQ-UHFFFAOYSA-N 1 0 338.408 2.247 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290036379 275173422 /nfs/dbraw/zinc/17/34/22/275173422.db2.gz SEWHSVYLEXEIAA-SJORKVTESA-N 1 0 347.415 2.353 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290249944 275192412 /nfs/dbraw/zinc/19/24/12/275192412.db2.gz WFQHFTYOBDISJT-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000290548473 275217240 /nfs/dbraw/zinc/21/72/40/275217240.db2.gz AQRZZWQMTXNUEM-LBPRGKRZSA-N 1 0 348.230 2.448 20 5 EEBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1[N+](=O)[O-] ZINC000292187675 275390419 /nfs/dbraw/zinc/39/04/19/275390419.db2.gz RDGZIRDXSDUSDE-UHFFFAOYSA-N 1 0 346.343 2.190 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+](C)C ZINC000292241483 275399721 /nfs/dbraw/zinc/39/97/21/275399721.db2.gz DBDSOFUSRYTVKB-VIFPVBQESA-N 1 0 331.319 2.124 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570428 293242223 /nfs/dbraw/zinc/24/22/23/293242223.db2.gz DMMPVEHQGAVVLU-RISCZKNCSA-N 1 0 349.362 2.407 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000293714826 293276792 /nfs/dbraw/zinc/27/67/92/293276792.db2.gz ORUCDLFKRFPDDB-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294515556 293474276 /nfs/dbraw/zinc/47/42/76/293474276.db2.gz HUJRDXGNARSSTD-HNNXBMFYSA-N 1 0 333.388 2.110 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294869010 293567085 /nfs/dbraw/zinc/56/70/85/293567085.db2.gz COHBOIBNVKOJRU-LBPRGKRZSA-N 1 0 343.387 2.243 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000296769557 294062491 /nfs/dbraw/zinc/06/24/91/294062491.db2.gz MOGJQHMUWSEHCQ-TXEJJXNPSA-N 1 0 328.372 2.149 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000297237918 294189127 /nfs/dbraw/zinc/18/91/27/294189127.db2.gz SEBDGJJCPAEASU-UHFFFAOYSA-N 1 0 347.415 2.497 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262106697 300414096 /nfs/dbraw/zinc/41/40/96/300414096.db2.gz ZTFPQJVMJACDHI-IUCAKERBSA-N 1 0 331.294 2.423 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000173337265 301429601 /nfs/dbraw/zinc/42/96/01/301429601.db2.gz JFSVUTFKNBHRIB-GXTWGEPZSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165849468 311390808 /nfs/dbraw/zinc/39/08/08/311390808.db2.gz YLNGBJCRNPRVKV-UHFFFAOYSA-N 1 0 342.193 2.087 20 5 EEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000395615547 312443906 /nfs/dbraw/zinc/44/39/06/312443906.db2.gz FUTYOSBVXSNTDC-AWEZNQCLSA-N 1 0 348.447 2.268 20 5 EEBDRO CC(C)Oc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411515668 312545308 /nfs/dbraw/zinc/54/53/08/312545308.db2.gz WBEAVKOYDZWEIH-HNNXBMFYSA-N 1 0 335.404 2.452 20 5 EEBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185228 312979794 /nfs/dbraw/zinc/97/97/94/312979794.db2.gz OIAOHLMXMKXRHO-LYRGGWFBSA-N 1 0 333.388 2.103 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417998337 313682781 /nfs/dbraw/zinc/68/27/81/313682781.db2.gz UUKDUGGZDKCQCN-QWHCGFSZSA-N 1 0 340.811 2.360 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418542428 313841770 /nfs/dbraw/zinc/84/17/70/313841770.db2.gz ONHOTONCUJPHTE-KRWDZBQOSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421004627 314021294 /nfs/dbraw/zinc/02/12/94/314021294.db2.gz OKKHSYOOOWSONX-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000421785306 314164107 /nfs/dbraw/zinc/16/41/07/314164107.db2.gz KIUKWZFKVMHPOG-OAHLLOKOSA-N 1 0 349.431 2.034 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]CC12CCCCC2 ZINC000431076947 314611798 /nfs/dbraw/zinc/61/17/98/314611798.db2.gz MZIAPCUNNUSGPO-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO COc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000440666853 315143491 /nfs/dbraw/zinc/14/34/91/315143491.db2.gz PBERHJWQYJHUMP-UHFFFAOYSA-N 1 0 340.399 2.180 20 5 EEBDRO CCOc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000440675392 315144319 /nfs/dbraw/zinc/14/43/19/315144319.db2.gz USZBNMYLYJSKDW-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]2)cc1SC ZINC000444264930 315286080 /nfs/dbraw/zinc/28/60/80/315286080.db2.gz FBVKMOFQPKYOKY-SNVBAGLBSA-N 1 0 339.417 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449209993 315432863 /nfs/dbraw/zinc/43/28/63/315432863.db2.gz SUOYLVWQNPKEIN-CHWSQXEVSA-N 1 0 333.388 2.065 20 5 EEBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000520796286 316878794 /nfs/dbraw/zinc/87/87/94/316878794.db2.gz DJHPCCYECXHVAF-JTQLQIEISA-N 1 0 329.809 2.161 20 5 EEBDRO COc1ccc(CC(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000525872306 317086256 /nfs/dbraw/zinc/08/62/56/317086256.db2.gz QYYDFWMJADOPHN-UHFFFAOYSA-N 1 0 335.404 2.089 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000531122037 317772103 /nfs/dbraw/zinc/77/21/03/317772103.db2.gz NHFPMQWLFPQSJB-LBPRGKRZSA-N 1 0 337.420 2.238 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738167 318317295 /nfs/dbraw/zinc/31/72/95/318317295.db2.gz VHKBEVNSRKNCQI-HNNXBMFYSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COCc1cccs1 ZINC000563617693 319030954 /nfs/dbraw/zinc/03/09/54/319030954.db2.gz ILNBRJDDJZSFRF-AWEZNQCLSA-N 1 0 336.413 2.366 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000565529345 319190603 /nfs/dbraw/zinc/19/06/03/319190603.db2.gz LTCFXOIJVQZYCE-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1cccc(OCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000566107521 319245553 /nfs/dbraw/zinc/24/55/53/319245553.db2.gz LCMDSOJFAHUNDC-HNNXBMFYSA-N 1 0 346.383 2.312 20 5 EEBDRO Cc1cccc(OCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000566107522 319245568 /nfs/dbraw/zinc/24/55/68/319245568.db2.gz LCMDSOJFAHUNDC-OAHLLOKOSA-N 1 0 346.383 2.312 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2ccc(Cl)cc2)c1 ZINC000567492636 319385070 /nfs/dbraw/zinc/38/50/70/319385070.db2.gz IZYHPSBPCCSWNS-HNNXBMFYSA-N 1 0 338.795 2.028 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccccc1F ZINC000567690804 319405877 /nfs/dbraw/zinc/40/58/77/319405877.db2.gz JNKKTTDGKIEYRD-CQSZACIVSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000568408845 319486638 /nfs/dbraw/zinc/48/66/38/319486638.db2.gz BTENEDOKCZYUFM-HIFRSBDPSA-N 1 0 346.431 2.149 20 5 EEBDRO CCOC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000568976677 319535208 /nfs/dbraw/zinc/53/52/08/319535208.db2.gz BVHUCPMAQKIADD-AWEZNQCLSA-N 1 0 338.404 2.273 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000576460246 320173773 /nfs/dbraw/zinc/17/37/73/320173773.db2.gz SGVFWEIHEZIBMP-OAHLLOKOSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000577854486 320280104 /nfs/dbraw/zinc/28/01/04/320280104.db2.gz OKYZSKFOLAMPBT-CQSZACIVSA-N 1 0 333.432 2.482 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1[N+](=O)[O-] ZINC000181810844 323356762 /nfs/dbraw/zinc/35/67/62/323356762.db2.gz BTWKIATXZOWSFB-LLVKDONJSA-N 1 0 327.344 2.090 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000581887940 324336365 /nfs/dbraw/zinc/33/63/65/324336365.db2.gz JYYATEYXVRYVBQ-UHFFFAOYSA-N 1 0 338.371 2.203 20 5 EEBDRO CC(C)Oc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000520838160 448937655 /nfs/dbraw/zinc/93/76/55/448937655.db2.gz RPKGYKBJRNGKOS-ZDUSSCGKSA-N 1 0 338.408 2.036 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165856671 463649037 /nfs/dbraw/zinc/64/90/37/463649037.db2.gz JCPIKUFIKSHYIU-NSHDSACASA-N 1 0 342.193 2.181 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000280891615 464266144 /nfs/dbraw/zinc/26/61/44/464266144.db2.gz DDJZGFUQYFHYEE-HUUCEWRRSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1c(Br)c(NC[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000336817226 465048602 /nfs/dbraw/zinc/04/86/02/465048602.db2.gz PGADXZKWITVEHS-MRVPVSSYSA-N 1 0 331.214 2.670 20 5 EEBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000336878755 465072848 /nfs/dbraw/zinc/07/28/48/465072848.db2.gz IKFWIFRIDPZMBI-CQSZACIVSA-N 1 0 349.412 2.353 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC(F)(F)F ZINC000358348709 465072997 /nfs/dbraw/zinc/07/29/97/465072997.db2.gz CXYKSKARBKJFKY-KOLCDFICSA-N 1 0 349.309 2.215 20 5 EEBDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354826604 465175225 /nfs/dbraw/zinc/17/52/25/465175225.db2.gz IOPDSGHWZFIXOQ-XHBSWPGZSA-N 1 0 348.378 2.299 20 5 EEBDRO Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859861 465197499 /nfs/dbraw/zinc/19/74/99/465197499.db2.gz CRWRJZHQZCWBNN-NVXWUHKLSA-N 1 0 347.394 2.031 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000358579394 465203754 /nfs/dbraw/zinc/20/37/54/465203754.db2.gz KYTBPHNQIROGHS-AWEZNQCLSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1cnc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000347888589 465288534 /nfs/dbraw/zinc/28/85/34/465288534.db2.gz WJZNJYMTZBGGTE-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590602235 468285269 /nfs/dbraw/zinc/28/52/69/468285269.db2.gz YHBJMEQPXRXTQX-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCC1 ZINC000087134321 462592128 /nfs/dbraw/zinc/59/21/28/462592128.db2.gz VXLCSIADTPVJRX-CQSZACIVSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000590688535 468306856 /nfs/dbraw/zinc/30/68/56/468306856.db2.gz IZTIRSTUDIECCE-SJORKVTESA-N 1 0 342.399 2.178 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128204650 462618913 /nfs/dbraw/zinc/61/89/13/462618913.db2.gz LZPDCJBZBSIDQE-LBPRGKRZSA-N 1 0 343.387 2.029 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153285096 462633543 /nfs/dbraw/zinc/63/35/43/462633543.db2.gz ZERXYRWQIZFCAX-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000590694544 468309296 /nfs/dbraw/zinc/30/92/96/468309296.db2.gz NEGYCVNZVQDREZ-INIZCTEOSA-N 1 0 342.399 2.808 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000089644410 462703370 /nfs/dbraw/zinc/70/33/70/462703370.db2.gz SGXQYHYBISESNY-JKSUJKDBSA-N 1 0 342.399 2.346 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007850971 462754435 /nfs/dbraw/zinc/75/44/35/462754435.db2.gz VUKCFODIXGJVIG-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000090017365 462767097 /nfs/dbraw/zinc/76/70/97/462767097.db2.gz NKLXJDPDCAYJHO-WFASDCNBSA-N 1 0 343.387 2.093 20 5 EEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000154805951 462810761 /nfs/dbraw/zinc/81/07/61/462810761.db2.gz ZDHPAKOKZPHTIY-OAHLLOKOSA-N 1 0 343.449 2.307 20 5 EEBDRO C[C@@H]1CC[N@H+](CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248826 468320890 /nfs/dbraw/zinc/32/08/90/468320890.db2.gz UYUAUUPNMRIALC-PBHICJAKSA-N 1 0 343.431 2.349 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047955122 462841918 /nfs/dbraw/zinc/84/19/18/462841918.db2.gz SDGXXBFZFZKQJA-INIZCTEOSA-N 1 0 348.403 2.313 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066042940 462846955 /nfs/dbraw/zinc/84/69/55/462846955.db2.gz WLIWOMISEBAADF-HNNXBMFYSA-N 1 0 330.388 2.150 20 5 EEBDRO CC(C)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000076910203 462920246 /nfs/dbraw/zinc/92/02/46/462920246.db2.gz VKDZYXIVSBEHCL-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000133646065 462955996 /nfs/dbraw/zinc/95/59/96/462955996.db2.gz HINLLHQDJUXRGU-SECBINFHSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000077686510 463023454 /nfs/dbraw/zinc/02/34/54/463023454.db2.gz QXRSZOXFDMPKKW-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCC1 ZINC000590773975 468335328 /nfs/dbraw/zinc/33/53/28/468335328.db2.gz WFXJUKYDPUZMDS-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000078403819 463113524 /nfs/dbraw/zinc/11/35/24/463113524.db2.gz RJBHEKZRONSOJM-GFCCVEGCSA-N 1 0 325.796 2.407 20 5 EEBDRO Cc1nn(C)c(NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000079900077 463259208 /nfs/dbraw/zinc/25/92/08/463259208.db2.gz KBAZFRJAWKULGT-UHFFFAOYSA-N 1 0 339.465 2.410 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000138549038 463309719 /nfs/dbraw/zinc/30/97/19/463309719.db2.gz UBFYEKBAANLIDZ-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO Cc1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000139950308 463335200 /nfs/dbraw/zinc/33/52/00/463335200.db2.gz GQBWEWOZQIAJJC-KRWDZBQOSA-N 1 0 347.415 2.230 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000055668439 463339671 /nfs/dbraw/zinc/33/96/71/463339671.db2.gz DBXCTXAUIABTQT-UHFFFAOYSA-N 1 0 344.415 2.337 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160913277 463382002 /nfs/dbraw/zinc/38/20/02/463382002.db2.gz CBNYNYJMHRCZII-UONOGXRCSA-N 1 0 347.415 2.482 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071893411 463459493 /nfs/dbraw/zinc/45/94/93/463459493.db2.gz OBIRLPWFKHQDQH-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000162083880 463482317 /nfs/dbraw/zinc/48/23/17/463482317.db2.gz RAXWEMOUJINJLO-HNNXBMFYSA-N 1 0 348.447 2.125 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125248392 463521653 /nfs/dbraw/zinc/52/16/53/463521653.db2.gz VPYNTAQPVHWAEE-ZDUSSCGKSA-N 1 0 335.404 2.342 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000058275712 463565129 /nfs/dbraw/zinc/56/51/29/463565129.db2.gz FZHHNYVZJIQSJF-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000568619661 468364040 /nfs/dbraw/zinc/36/40/40/468364040.db2.gz FGJXDWZPQRBXOU-MRXNPFEDSA-N 1 0 346.431 2.336 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126232109 463618370 /nfs/dbraw/zinc/61/83/70/463618370.db2.gz AQYRGLVOMDKKAE-ZBEGNZNMSA-N 1 0 330.388 2.488 20 5 EEBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834243 463633135 /nfs/dbraw/zinc/63/31/35/463633135.db2.gz OSRWGRXPOUCADN-CJNGLKHVSA-N 1 0 335.404 2.129 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000126977782 463674372 /nfs/dbraw/zinc/67/43/72/463674372.db2.gz FJNXCBHQKSAKSE-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170743594 463702271 /nfs/dbraw/zinc/70/22/71/463702271.db2.gz NDJQLFHDVSTBCG-OAHLLOKOSA-N 1 0 346.431 2.402 20 5 EEBDRO O=C1NCCN1C1CC[NH+](CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000255149756 463708227 /nfs/dbraw/zinc/70/82/27/463708227.db2.gz PUNSWBIMCGXINE-HYXAFXHYSA-N 1 0 330.388 2.098 20 5 EEBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177553403 463736317 /nfs/dbraw/zinc/73/63/17/463736317.db2.gz WOROAJSMFKRHCM-XOKHGSTOSA-N 1 0 330.388 2.030 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177761886 463784596 /nfs/dbraw/zinc/78/45/96/463784596.db2.gz YFIIVWNILGSIBU-CABCVRRESA-N 1 0 346.431 2.116 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185433082 463822555 /nfs/dbraw/zinc/82/25/55/463822555.db2.gz QYXUNWDLVGECMM-LBPRGKRZSA-N 1 0 337.424 2.265 20 5 EEBDRO CCC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965977 463830084 /nfs/dbraw/zinc/83/00/84/463830084.db2.gz YJPCWPWFLBSYCV-IRXDYDNUSA-N 1 0 348.447 2.365 20 5 EEBDRO O=C(CCN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000283281102 463831831 /nfs/dbraw/zinc/83/18/31/463831831.db2.gz MBDPSIITEHCGCE-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261768793 463853671 /nfs/dbraw/zinc/85/36/71/463853671.db2.gz MZJCSRCPKKPZOE-JTQLQIEISA-N 1 0 342.359 2.196 20 5 EEBDRO CCCc1[nH]nc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1[N+](=O)[O-] ZINC000261788328 463860298 /nfs/dbraw/zinc/86/02/98/463860298.db2.gz UCFMUAUUWZJSST-UHFFFAOYSA-N 1 0 347.350 2.308 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000261944544 463907034 /nfs/dbraw/zinc/90/70/34/463907034.db2.gz VIXGUGLORHCPKE-JTQLQIEISA-N 1 0 332.385 2.049 20 5 EEBDRO C[C@@H](CCC1CC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186290002 463968691 /nfs/dbraw/zinc/96/86/91/463968691.db2.gz SMOUNKQJGOJYBF-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269397964 463976304 /nfs/dbraw/zinc/97/63/04/463976304.db2.gz NEQLFIAEOOJNBG-RYUDHWBXSA-N 1 0 337.424 2.292 20 5 EEBDRO C[C@@H](CCC1CC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186408296 463993444 /nfs/dbraw/zinc/99/34/44/463993444.db2.gz MRWSALPACSWSOH-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO COCC1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000262346862 464007426 /nfs/dbraw/zinc/00/74/26/464007426.db2.gz HUCVPPCJIVCGQK-ZDUSSCGKSA-N 1 0 335.404 2.097 20 5 EEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000269591145 464028179 /nfs/dbraw/zinc/02/81/79/464028179.db2.gz CADKWTXUUKMBJN-LBPRGKRZSA-N 1 0 343.387 2.273 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172425044 464078256 /nfs/dbraw/zinc/07/82/56/464078256.db2.gz DKSNUMBCPUUCTL-UHFFFAOYSA-N 1 0 333.432 2.182 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964113 464141811 /nfs/dbraw/zinc/14/18/11/464141811.db2.gz VYDWDBFNNDWSLQ-WBVHZDCISA-N 1 0 346.383 2.178 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270063295 464176143 /nfs/dbraw/zinc/17/61/43/464176143.db2.gz FOXDJGBSPIQFRG-OAHLLOKOSA-N 1 0 347.415 2.407 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179997952 464222060 /nfs/dbraw/zinc/22/20/60/464222060.db2.gz NWPOPIORHQOASL-UHFFFAOYSA-N 1 0 329.303 2.020 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000280891621 464266777 /nfs/dbraw/zinc/26/67/77/464266777.db2.gz DDJZGFUQYFHYEE-LSDHHAIUSA-N 1 0 347.415 2.415 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237443278 464320449 /nfs/dbraw/zinc/32/04/49/464320449.db2.gz HZHYCWMOQSVKAX-KBPBESRZSA-N 1 0 346.431 2.394 20 5 EEBDRO CCC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000271492921 464321992 /nfs/dbraw/zinc/32/19/92/464321992.db2.gz MADYVUQHEZVCSQ-OAHLLOKOSA-N 1 0 344.433 2.087 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC000173986772 464344908 /nfs/dbraw/zinc/34/49/08/464344908.db2.gz FBLYYPOQPSNZGL-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000237612636 464348840 /nfs/dbraw/zinc/34/88/40/464348840.db2.gz NYPUAEXWBNIWFO-CYBMUJFWSA-N 1 0 342.193 2.215 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264620839 464398365 /nfs/dbraw/zinc/39/83/65/464398365.db2.gz RMGLWSREPOGXQH-GJZGRUSLSA-N 1 0 346.431 2.482 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000238026637 464420888 /nfs/dbraw/zinc/42/08/88/464420888.db2.gz KJXBOCUWYJQNKL-MWLCHTKSSA-N 1 0 347.824 2.044 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[NH2+]CC1 ZINC000238170176 464436482 /nfs/dbraw/zinc/43/64/82/464436482.db2.gz QCELRPHJEIPUNJ-UHFFFAOYSA-N 1 0 332.404 2.021 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000189139211 464441461 /nfs/dbraw/zinc/44/14/61/464441461.db2.gz XKFJHAGJXNITPB-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCOC1 ZINC000181733317 464523740 /nfs/dbraw/zinc/52/37/40/464523740.db2.gz ABSGBTHVPWBEQV-LLVKDONJSA-N 1 0 325.340 2.031 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1SC ZINC000272280804 464549461 /nfs/dbraw/zinc/54/94/61/464549461.db2.gz ONLFUCMKKQFVAY-VHSXEESVSA-N 1 0 339.417 2.135 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281725350 464560974 /nfs/dbraw/zinc/56/09/74/464560974.db2.gz XDYJZINYCRZUSZ-HNNXBMFYSA-N 1 0 349.431 2.472 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000294780631 464601977 /nfs/dbraw/zinc/60/19/77/464601977.db2.gz GRTJLHNEIMAONE-ZDUSSCGKSA-N 1 0 343.387 2.043 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285615378 464629645 /nfs/dbraw/zinc/62/96/45/464629645.db2.gz WBTZCIWQXJZJMJ-QWHCGFSZSA-N 1 0 335.408 2.045 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000282067277 464687612 /nfs/dbraw/zinc/68/76/12/464687612.db2.gz NANHTSIAISMMGD-LBPRGKRZSA-N 1 0 349.309 2.169 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000273219770 464709584 /nfs/dbraw/zinc/70/95/84/464709584.db2.gz UXSXJKYATFKEBF-CYBMUJFWSA-N 1 0 334.397 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295207043 464745889 /nfs/dbraw/zinc/74/58/89/464745889.db2.gz ZMGXVFROUYCNKR-CYBMUJFWSA-N 1 0 327.812 2.185 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295276300 464772157 /nfs/dbraw/zinc/77/21/57/464772157.db2.gz AZKPXSRDRNLLBU-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000176511970 464791571 /nfs/dbraw/zinc/79/15/71/464791571.db2.gz MLQFICPDVDSOKE-OAHLLOKOSA-N 1 0 334.420 2.372 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000286207857 464839466 /nfs/dbraw/zinc/83/94/66/464839466.db2.gz BKFFZNDDEKKYFF-GOOCMWNKSA-N 1 0 346.431 2.399 20 5 EEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266896366 464863394 /nfs/dbraw/zinc/86/33/94/464863394.db2.gz SIXIDGRMTFKIBJ-LBPRGKRZSA-N 1 0 349.412 2.354 20 5 EEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183764522 464907974 /nfs/dbraw/zinc/90/79/74/464907974.db2.gz HYVMMGAQIFDTCH-QGZVFWFLSA-N 1 0 343.431 2.388 20 5 EEBDRO COC(=O)Cc1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000295727808 464944297 /nfs/dbraw/zinc/94/42/97/464944297.db2.gz VNIYCRZZYWRMJF-ZFWWWQNUSA-N 1 0 347.415 2.373 20 5 EEBDRO CC(C)(C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786449 464963562 /nfs/dbraw/zinc/96/35/62/464963562.db2.gz ZHYQCERAFXSHJX-XJKSGUPXSA-N 1 0 349.431 2.242 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295898717 464999132 /nfs/dbraw/zinc/99/91/32/464999132.db2.gz IHVAYGVMELNKMV-CYBMUJFWSA-N 1 0 337.420 2.101 20 5 EEBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000282927754 465004265 /nfs/dbraw/zinc/00/42/65/465004265.db2.gz ZRGLSVOUDAYDAC-CYBMUJFWSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356973131 465669655 /nfs/dbraw/zinc/66/96/55/465669655.db2.gz IGCUHCDYTVYRGP-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1ncc(C2CC2)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597115650 468448182 /nfs/dbraw/zinc/44/81/82/468448182.db2.gz ABHAPOKJOAZBTR-UHFFFAOYSA-N 1 0 330.392 2.239 20 5 EEBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000348583710 465700942 /nfs/dbraw/zinc/70/09/42/465700942.db2.gz YXRPKSZLVJPYQT-MRXNPFEDSA-N 1 0 331.372 2.170 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000366440787 465728837 /nfs/dbraw/zinc/72/88/37/465728837.db2.gz WVRSEXCLTAQRNX-RRQGHBQHSA-N 1 0 347.415 2.227 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088614 465761149 /nfs/dbraw/zinc/76/11/49/465761149.db2.gz SYECEAVKQXDNLK-DZGCQCFKSA-N 1 0 346.431 2.243 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301260089 465931610 /nfs/dbraw/zinc/93/16/10/465931610.db2.gz FVZOIKKRWHRJOZ-GFCCVEGCSA-N 1 0 328.800 2.148 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000357315120 465941101 /nfs/dbraw/zinc/94/11/01/465941101.db2.gz NBNNZCJLKJAHEP-PBFPGSCMSA-N 1 0 346.431 2.311 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301325233 465942974 /nfs/dbraw/zinc/94/29/74/465942974.db2.gz AHPOKFWSPWFWTA-LLVKDONJSA-N 1 0 331.376 2.022 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699429 465950780 /nfs/dbraw/zinc/95/07/80/465950780.db2.gz OWVNLZAQFLQLRE-YSVLISHTSA-N 1 0 338.404 2.374 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346229317 466011100 /nfs/dbraw/zinc/01/11/00/466011100.db2.gz LUSUMMVUSKATDC-MQIPJXDCSA-N 1 0 332.404 2.101 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279200 466054853 /nfs/dbraw/zinc/05/48/53/466054853.db2.gz VENKWGRQLWVALA-SQWLQELKSA-N 1 0 347.415 2.162 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H](CO)O3)o2)cc1 ZINC000353709087 466086395 /nfs/dbraw/zinc/08/63/95/466086395.db2.gz RZCYHGGCJUOYQR-HOCLYGCPSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331451375 466089660 /nfs/dbraw/zinc/08/96/60/466089660.db2.gz ZEHDOOYXWHVFJN-XMZIXOGTSA-N 1 0 335.379 2.436 20 5 EEBDRO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000331609339 466162172 /nfs/dbraw/zinc/16/21/72/466162172.db2.gz PCBHNBBYSSWIEU-KRWDZBQOSA-N 1 0 347.415 2.163 20 5 EEBDRO Cc1c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000372163319 466198119 /nfs/dbraw/zinc/19/81/19/466198119.db2.gz OZYDDADLLSJCQN-XOKHGSTOSA-N 1 0 347.415 2.227 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](CCO)CC1)OCCO2 ZINC000591504124 468478401 /nfs/dbraw/zinc/47/84/01/468478401.db2.gz OLXXXVCWNWXEOV-CYBMUJFWSA-N 1 0 336.388 2.351 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000357855026 466266586 /nfs/dbraw/zinc/26/65/86/466266586.db2.gz DEOCAUUFGGZCMZ-IAQYHMDHSA-N 1 0 345.403 2.356 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000331978973 466331903 /nfs/dbraw/zinc/33/19/03/466331903.db2.gz DZQPSPZHLOWXMU-HUUCEWRRSA-N 1 0 346.431 2.482 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000591581205 468487345 /nfs/dbraw/zinc/48/73/45/468487345.db2.gz NJLRYLNATJGSLC-HZPDHXFCSA-N 1 0 341.415 2.149 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363447194 466409064 /nfs/dbraw/zinc/40/90/64/466409064.db2.gz ADELMCSWEWCUNB-LSDHHAIUSA-N 1 0 335.452 2.415 20 5 EEBDRO Cn1cc(C[N@H+](C)CC2(C)COC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600192176 468490521 /nfs/dbraw/zinc/49/05/21/468490521.db2.gz TWRKDCVEQPFRDY-UHFFFAOYSA-N 1 0 330.388 2.464 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305696423 466426783 /nfs/dbraw/zinc/42/67/83/466426783.db2.gz CBFMAPYLKLJEGB-IINYFYTJSA-N 1 0 332.360 2.409 20 5 EEBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000305759707 466452424 /nfs/dbraw/zinc/45/24/24/466452424.db2.gz IPWGEADHUAIMHS-IUODEOHRSA-N 1 0 331.372 2.495 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305767984 466456816 /nfs/dbraw/zinc/45/68/16/466456816.db2.gz IJWOGMOXZRCLTE-GFCCVEGCSA-N 1 0 349.309 2.087 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332287163 466489125 /nfs/dbraw/zinc/48/91/25/466489125.db2.gz YYABRADUZQQNGX-OAHLLOKOSA-N 1 0 330.388 2.488 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332322029 466507284 /nfs/dbraw/zinc/50/72/84/466507284.db2.gz RPTUUHBOXHYNNW-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO C[C@H](C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO)c1ccccc1 ZINC000347363031 466591336 /nfs/dbraw/zinc/59/13/36/466591336.db2.gz JKDOWXXIDMRHOG-CABCVRRESA-N 1 0 332.404 2.278 20 5 EEBDRO COC(=O)[C@@H](O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368492 466593591 /nfs/dbraw/zinc/59/35/91/466593591.db2.gz YHKUJRQKVJTBMC-QFSNBGPKSA-N 1 0 348.399 2.244 20 5 EEBDRO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000347417023 466623566 /nfs/dbraw/zinc/62/35/66/466623566.db2.gz CVYHBBHUPHVKGD-MJBXVCDLSA-N 1 0 347.415 2.446 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000374503924 466655241 /nfs/dbraw/zinc/65/52/41/466655241.db2.gz LJTYGMYZJQXETG-PJQXDXOGSA-N 1 0 333.388 2.469 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000374796350 466746443 /nfs/dbraw/zinc/74/64/43/466746443.db2.gz UXNKYPNARQWONI-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000369775310 466752919 /nfs/dbraw/zinc/75/29/19/466752919.db2.gz XHTWEKOJTQIVIA-ROUUACIJSA-N 1 0 339.395 2.351 20 5 EEBDRO Cc1c(CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423584905 466778928 /nfs/dbraw/zinc/77/89/28/466778928.db2.gz SIUNKJTWVLXORT-UHFFFAOYSA-N 1 0 325.368 2.365 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000423650306 466795785 /nfs/dbraw/zinc/79/57/85/466795785.db2.gz UHFXJKOTCUAERY-QGZVFWFLSA-N 1 0 333.388 2.209 20 5 EEBDRO Cc1c(CC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423680595 466801078 /nfs/dbraw/zinc/80/10/78/466801078.db2.gz UNGYGRMUAGGYLE-KRWDZBQOSA-N 1 0 339.395 2.449 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417714288 466915524 /nfs/dbraw/zinc/91/55/24/466915524.db2.gz IEBUCHUIACEQKW-ZIAGYGMSSA-N 1 0 349.435 2.084 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000373780590 466918317 /nfs/dbraw/zinc/91/83/17/466918317.db2.gz DPKLDSDQULIBOP-OAHLLOKOSA-N 1 0 349.431 2.148 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000377576154 467090180 /nfs/dbraw/zinc/09/01/80/467090180.db2.gz WUNYXLRSDLYPLT-ZDUSSCGKSA-N 1 0 333.388 2.350 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000377595661 467093425 /nfs/dbraw/zinc/09/34/25/467093425.db2.gz QPBKBNIXZALVKO-ZDUSSCGKSA-N 1 0 333.388 2.364 20 5 EEBDRO CC[C@@]1(O)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428433303 467233705 /nfs/dbraw/zinc/23/37/05/467233705.db2.gz SPMGVFCMBBPNPE-QGZVFWFLSA-N 1 0 330.388 2.342 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432528511 467246999 /nfs/dbraw/zinc/24/69/99/467246999.db2.gz AAJRWLSMBBHDTD-NHCYSSNCSA-N 1 0 341.795 2.130 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000413475317 467250105 /nfs/dbraw/zinc/25/01/05/467250105.db2.gz CPJLNQFQQLDRPO-UHFFFAOYSA-N 1 0 348.447 2.112 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C1CC1 ZINC000432775841 467263158 /nfs/dbraw/zinc/26/31/58/467263158.db2.gz KLEPJQYTEJHZOW-CYBMUJFWSA-N 1 0 348.321 2.499 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327031 467358929 /nfs/dbraw/zinc/35/89/29/467358929.db2.gz COOXRWCTLQNYMC-GXTWGEPZSA-N 1 0 334.420 2.291 20 5 EEBDRO CCn1nccc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429718897 467362201 /nfs/dbraw/zinc/36/22/01/467362201.db2.gz BOMAOVVOHZZSCT-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000434244361 467383804 /nfs/dbraw/zinc/38/38/04/467383804.db2.gz HNGQZECYQICUEM-CYBMUJFWSA-N 1 0 349.435 2.436 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420376105 467384269 /nfs/dbraw/zinc/38/42/69/467384269.db2.gz JOMJZJWJSVXLAD-RDJZCZTQSA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[NH2+]1 ZINC000420376791 467385056 /nfs/dbraw/zinc/38/50/56/467385056.db2.gz AJEKXFIAVTYGCV-STQMWFEESA-N 1 0 330.388 2.475 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408125 467397819 /nfs/dbraw/zinc/39/78/19/467397819.db2.gz OYRIITHTPDYWSY-XBFCOCLRSA-N 1 0 334.420 2.147 20 5 EEBDRO COc1cc(CN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430616679 467450733 /nfs/dbraw/zinc/45/07/33/467450733.db2.gz GWNWYFITQYZCSD-JTQLQIEISA-N 1 0 345.346 2.376 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414928295 467452147 /nfs/dbraw/zinc/45/21/47/467452147.db2.gz APXYKFHKFYOUNR-BDAKNGLRSA-N 1 0 344.318 2.397 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435233555 467453989 /nfs/dbraw/zinc/45/39/89/467453989.db2.gz VQMZHHZQCARYLS-MRXNPFEDSA-N 1 0 332.404 2.140 20 5 EEBDRO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000430937863 467478804 /nfs/dbraw/zinc/47/88/04/467478804.db2.gz FVKKEMGICVXISA-HNNXBMFYSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1cccnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373553 467482967 /nfs/dbraw/zinc/48/29/67/467482967.db2.gz SKQLXFJSUKUWDP-JSGCOSHPSA-N 1 0 331.376 2.468 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000408069980 467503785 /nfs/dbraw/zinc/50/37/85/467503785.db2.gz HAQIRZVSRLJCMP-RYUDHWBXSA-N 1 0 328.372 2.308 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC000408194147 467525994 /nfs/dbraw/zinc/52/59/94/467525994.db2.gz GXCNPRSBPBCEPS-JSGCOSHPSA-N 1 0 327.388 2.459 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1CCCO ZINC000449384972 467634701 /nfs/dbraw/zinc/63/47/01/467634701.db2.gz DARLMRLYHIZSKM-VHUCWBOISA-N 1 0 333.432 2.435 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449725936 467701168 /nfs/dbraw/zinc/70/11/68/467701168.db2.gz OYZSAMJNFVICQG-DTWKUNHWSA-N 1 0 342.193 2.215 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000457127255 467760865 /nfs/dbraw/zinc/76/08/65/467760865.db2.gz ROLHCRJCMZMYBH-MRXNPFEDSA-N 1 0 344.415 2.491 20 5 EEBDRO CCOC(=O)c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450796078 467910209 /nfs/dbraw/zinc/91/02/09/467910209.db2.gz UXRNIOBXJAUSRK-OKILXGFUSA-N 1 0 349.387 2.047 20 5 EEBDRO C/C(=C\c1ccccc1)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293604 468042830 /nfs/dbraw/zinc/04/28/30/468042830.db2.gz QSURMQISDSBHPZ-AAKUMTKESA-N 1 0 330.388 2.188 20 5 EEBDRO C[C@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000516943394 468057770 /nfs/dbraw/zinc/05/77/70/468057770.db2.gz YJVDXFCBSYNLPM-VHSXEESVSA-N 1 0 329.360 2.281 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000533454001 468201343 /nfs/dbraw/zinc/20/13/43/468201343.db2.gz FTMRQPUFRLJMPI-WFASDCNBSA-N 1 0 332.404 2.022 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000591727709 468511152 /nfs/dbraw/zinc/51/11/52/468511152.db2.gz ULOZZDKMXKVWSY-UHFFFAOYSA-N 1 0 344.371 2.425 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000591759429 468516046 /nfs/dbraw/zinc/51/60/46/468516046.db2.gz NHNCHCKACXOUOY-ZDUSSCGKSA-N 1 0 344.458 2.244 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000591851637 468531780 /nfs/dbraw/zinc/53/17/80/468531780.db2.gz SBUWXZJGRZXEPX-OAHLLOKOSA-N 1 0 331.376 2.292 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000582454263 468541424 /nfs/dbraw/zinc/54/14/24/468541424.db2.gz SXXCERHQKQAASL-LSDHHAIUSA-N 1 0 347.415 2.367 20 5 EEBDRO C[C@]1(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000597434484 468554324 /nfs/dbraw/zinc/55/43/24/468554324.db2.gz ZKMSVCYLBGJWRA-ZDUSSCGKSA-N 1 0 346.309 2.165 20 5 EEBDRO COc1ccc(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000569874399 468556287 /nfs/dbraw/zinc/55/62/87/468556287.db2.gz CXBCSWPWEZICAE-UHFFFAOYSA-N 1 0 349.431 2.384 20 5 EEBDRO CNc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594418834 468579314 /nfs/dbraw/zinc/57/93/14/468579314.db2.gz MFMHRGDZZQDXLU-KGLIPLIRSA-N 1 0 332.404 2.383 20 5 EEBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570103635 468590019 /nfs/dbraw/zinc/59/00/19/468590019.db2.gz ACICNCDACJBRMV-MRXNPFEDSA-N 1 0 347.415 2.210 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570271322 468613578 /nfs/dbraw/zinc/61/35/78/468613578.db2.gz VFEFYTDWQKHFRG-CHWSQXEVSA-N 1 0 334.420 2.262 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597705557 468646186 /nfs/dbraw/zinc/64/61/86/468646186.db2.gz HFMVADXCEHUGEL-UHFFFAOYSA-N 1 0 331.294 2.247 20 5 EEBDRO C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182219 468647997 /nfs/dbraw/zinc/64/79/97/468647997.db2.gz MUFSLCXGAVBHBY-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592244387 468663187 /nfs/dbraw/zinc/66/31/87/468663187.db2.gz BUAHJJPMIGVYAM-OAHLLOKOSA-N 1 0 332.404 2.239 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597855433 468694596 /nfs/dbraw/zinc/69/45/96/468694596.db2.gz QOKRDXNDUMDROO-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569018 468732026 /nfs/dbraw/zinc/73/20/26/468732026.db2.gz VLDLJIJPGUOUMP-GFCCVEGCSA-N 1 0 335.429 2.478 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccccc2)c1 ZINC000559238706 468732204 /nfs/dbraw/zinc/73/22/04/468732204.db2.gz JBCVPGRJDDNWOR-HNNXBMFYSA-N 1 0 332.356 2.003 20 5 EEBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000601181891 468773290 /nfs/dbraw/zinc/77/32/90/468773290.db2.gz NNBPLQFDPXZQCC-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1SC ZINC000595229459 468788705 /nfs/dbraw/zinc/78/87/05/468788705.db2.gz ZRZUZXRVNXLRRQ-KOLCDFICSA-N 1 0 339.417 2.135 20 5 EEBDRO CC[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000571503731 468796988 /nfs/dbraw/zinc/79/69/88/468796988.db2.gz OEVRAKRUMFLTIA-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598222077 468797938 /nfs/dbraw/zinc/79/79/38/468797938.db2.gz ZWAXDMJLSIYNME-CQSZACIVSA-N 1 0 347.415 2.497 20 5 EEBDRO C[C@@H](CO)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000593085075 468864330 /nfs/dbraw/zinc/86/43/30/468864330.db2.gz UWQPECVOEPINOI-GUYCJALGSA-N 1 0 347.415 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647000 468943910 /nfs/dbraw/zinc/94/39/10/468943910.db2.gz BOTGSENXRVVLIG-GXTWGEPZSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595671425 468946718 /nfs/dbraw/zinc/94/67/18/468946718.db2.gz GFVIQJAYKXYLJP-CZUORRHYSA-N 1 0 335.404 2.041 20 5 EEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1[N+](=O)[O-] ZINC000614533756 468966386 /nfs/dbraw/zinc/96/63/86/468966386.db2.gz VSYDQRDXVMJMAP-SFHVURJKSA-N 1 0 342.399 2.063 20 5 EEBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602683087 469009591 /nfs/dbraw/zinc/00/95/91/469009591.db2.gz HPGRIKTVPXLPPQ-RHSMWYFYSA-N 1 0 330.388 2.381 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000585706847 469017685 /nfs/dbraw/zinc/01/76/85/469017685.db2.gz SDVKSMATUQQUJZ-LBPRGKRZSA-N 1 0 347.419 2.072 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595935051 469090761 /nfs/dbraw/zinc/09/07/61/469090761.db2.gz RDRMZYLSTOXMSD-UHFFFAOYSA-N 1 0 330.182 2.167 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc12 ZINC000563008360 469133007 /nfs/dbraw/zinc/13/30/07/469133007.db2.gz WLLVVUZUAONYME-MRXNPFEDSA-N 1 0 340.383 2.404 20 5 EEBDRO CC(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCCCC1 ZINC000596070490 469138224 /nfs/dbraw/zinc/13/82/24/469138224.db2.gz PNPPJUTVPBDYJS-CQSZACIVSA-N 1 0 346.435 2.950 20 5 EEBDRO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000573778450 469203109 /nfs/dbraw/zinc/20/31/09/469203109.db2.gz XFVBKNDFWGKQOA-CQSZACIVSA-N 1 0 335.404 2.087 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596251062 469221323 /nfs/dbraw/zinc/22/13/23/469221323.db2.gz KVPYTFGURHZTHI-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)ncn1 ZINC000611337270 469230367 /nfs/dbraw/zinc/23/03/67/469230367.db2.gz OFDZLFHPLDYAIF-GFCCVEGCSA-N 1 0 329.360 2.200 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000615496300 469249680 /nfs/dbraw/zinc/24/96/80/469249680.db2.gz SFFIVPMFTVXIAE-VXGBXAGGSA-N 1 0 332.404 2.016 20 5 EEBDRO CO[C@@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000602475709 469332613 /nfs/dbraw/zinc/33/26/13/469332613.db2.gz YKJGPGUKQGKOCM-SFHVURJKSA-N 1 0 347.415 2.168 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602482085 469336106 /nfs/dbraw/zinc/33/61/06/469336106.db2.gz MKTVTUJMOPYRTO-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602541674 469354888 /nfs/dbraw/zinc/35/48/88/469354888.db2.gz QQFKJSKIUZNYRD-MWLCHTKSSA-N 1 0 331.294 2.194 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000602546203 469355502 /nfs/dbraw/zinc/35/55/02/469355502.db2.gz GZUBNMAEJYPQRX-CQSZACIVSA-N 1 0 348.321 2.491 20 5 EEBDRO C[C@H]1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602551054 469358194 /nfs/dbraw/zinc/35/81/94/469358194.db2.gz BOFUSUBUELJJKV-DTWKUNHWSA-N 1 0 342.193 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOC[C@H]3CCOC3)nc2c1 ZINC000602558271 469360480 /nfs/dbraw/zinc/36/04/80/469360480.db2.gz KKLFQUDSRDUYCP-GFCCVEGCSA-N 1 0 335.360 2.269 20 5 EEBDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602597355 469378810 /nfs/dbraw/zinc/37/88/10/469378810.db2.gz BHAFOPQHNCPKKJ-UHFFFAOYSA-N 1 0 329.282 2.372 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868417 469691094 /nfs/dbraw/zinc/69/10/94/469691094.db2.gz YSLZFBOZJZLOSC-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609449622 469928745 /nfs/dbraw/zinc/92/87/45/469928745.db2.gz CDZPFPBKFCSDDS-PBHICJAKSA-N 1 0 346.431 2.163 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000609595590 469945458 /nfs/dbraw/zinc/94/54/58/469945458.db2.gz RHAPMLZBHCTRLF-HNNXBMFYSA-N 1 0 346.431 2.454 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000618399352 469984155 /nfs/dbraw/zinc/98/41/55/469984155.db2.gz INKUELGSQQJKFS-YHWZYXNKSA-N 1 0 346.391 2.066 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000174384481 534048355 /nfs/dbraw/zinc/04/83/55/534048355.db2.gz PGIZMOPPFPOUBY-CQSZACIVSA-N 1 0 346.431 2.433 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153973303 534066435 /nfs/dbraw/zinc/06/64/35/534066435.db2.gz QQFBPMLMOREERV-KRWDZBQOSA-N 1 0 346.383 2.131 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175088272 534347187 /nfs/dbraw/zinc/34/71/87/534347187.db2.gz KIAKMXHFYOZXSZ-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132500970 534879805 /nfs/dbraw/zinc/87/98/05/534879805.db2.gz KGXPVBRLBYHNSO-ZJUUUORDSA-N 1 0 327.182 2.083 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491465232 536543418 /nfs/dbraw/zinc/54/34/18/536543418.db2.gz QTOIEQMUYRWMHD-YVMONPNESA-N 1 0 347.415 2.225 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449749167 534985593 /nfs/dbraw/zinc/98/55/93/534985593.db2.gz FDDBATQPRLFXQE-LLVKDONJSA-N 1 0 342.193 2.228 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451771252 535543081 /nfs/dbraw/zinc/54/30/81/535543081.db2.gz HAOGRSDIDUEQAT-OLZOCXBDSA-N 1 0 349.387 2.245 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419101 535986604 /nfs/dbraw/zinc/98/66/04/535986604.db2.gz NDXGFZIPFASGCD-BRWVUGGUSA-N 1 0 347.415 2.183 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CC(=O)NCC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000281006489 536296591 /nfs/dbraw/zinc/29/65/91/536296591.db2.gz YCLLSWYZBFZCIQ-GFCCVEGCSA-N 1 0 327.331 2.288 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780565 536809766 /nfs/dbraw/zinc/80/97/66/536809766.db2.gz XYLRGTAIXKFSKT-BYCMXARLSA-N 1 0 333.388 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000774875088 577421596 /nfs/dbraw/zinc/42/15/96/577421596.db2.gz HBJVKRILSLHQPH-ZDUSSCGKSA-N 1 0 337.332 2.230 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000776274469 577456282 /nfs/dbraw/zinc/45/62/82/577456282.db2.gz IAGDUVAMFBNXMB-RISCZKNCSA-N 1 0 327.344 2.022 20 5 EEBDRO COC(=O)CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590349 577463625 /nfs/dbraw/zinc/46/36/25/577463625.db2.gz CRNFXELIMRWUEZ-MRXNPFEDSA-N 1 0 336.388 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000776590482 577463652 /nfs/dbraw/zinc/46/36/52/577463652.db2.gz GPNSQXNJSASFLF-ZWKOTPCHSA-N 1 0 328.368 2.052 20 5 EEBDRO COCCC[N@H+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764921239 577490913 /nfs/dbraw/zinc/49/09/13/577490913.db2.gz MYUJCAVQIZSZRJ-UHFFFAOYSA-N 1 0 336.392 2.195 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000770135607 577590970 /nfs/dbraw/zinc/59/09/70/577590970.db2.gz VWJAGSLFOOMNJI-WDEREUQCSA-N 1 0 336.417 2.096 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC1(O)CCC1 ZINC000759877323 577652867 /nfs/dbraw/zinc/65/28/67/577652867.db2.gz RHFBRLHHBBGGMS-JTQLQIEISA-N 1 0 341.795 2.422 20 5 EEBDRO C[NH+](C)C1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 ZINC000762979020 577712194 /nfs/dbraw/zinc/71/21/94/577712194.db2.gz OXMWJJDFWRZRJH-UHFFFAOYSA-N 1 0 329.360 2.408 20 5 EEBDRO C[C@H]([N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1(C)CC1 ZINC000753108359 577781701 /nfs/dbraw/zinc/78/17/01/577781701.db2.gz DAQJZIQQXGNSCX-LBPRGKRZSA-N 1 0 346.387 2.441 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H](CCO)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000754387689 577805652 /nfs/dbraw/zinc/80/56/52/577805652.db2.gz NXGRNODUALPCMX-AWEZNQCLSA-N 1 0 349.412 2.332 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735209901 578140697 /nfs/dbraw/zinc/14/06/97/578140697.db2.gz CSXZRAZUDJNSIC-OAHLLOKOSA-N 1 0 329.356 2.365 20 5 EEBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000736138660 578182766 /nfs/dbraw/zinc/18/27/66/578182766.db2.gz NLNCLKBNZSMWDT-JTQLQIEISA-N 1 0 333.396 2.163 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)ccn1C ZINC001020560921 675129638 /nfs/dbraw/zinc/12/96/38/675129638.db2.gz NYMPNYAVMVSYRP-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020790527 675496344 /nfs/dbraw/zinc/49/63/44/675496344.db2.gz GXACHGCTSNYTEV-HDJSIYSDSA-N 1 0 329.356 2.167 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000804775355 675629313 /nfs/dbraw/zinc/62/93/13/675629313.db2.gz GXJYXKSRDQJHAM-LBPRGKRZSA-N 1 0 339.367 2.103 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1C ZINC001021828195 676511267 /nfs/dbraw/zinc/51/12/67/676511267.db2.gz SYZMFMOLMDFHDU-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000891386254 676537943 /nfs/dbraw/zinc/53/79/43/676537943.db2.gz VQFOHDAIIATEDO-PWSUYJOCSA-N 1 0 342.346 2.200 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1=O ZINC000891999427 677890330 /nfs/dbraw/zinc/89/03/30/677890330.db2.gz DWEXXYIJVGLIMD-NSHDSACASA-N 1 0 328.372 2.095 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)on1 ZINC000983123621 681860066 /nfs/dbraw/zinc/86/00/66/681860066.db2.gz JRTIQNJKWQAYID-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO C[C@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000892875649 683159138 /nfs/dbraw/zinc/15/91/38/683159138.db2.gz HPPZRFNXINAJIO-NWDGAFQWSA-N 1 0 342.399 2.484 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1ccco1 ZINC001025655409 683221989 /nfs/dbraw/zinc/22/19/89/683221989.db2.gz AJSYPALDKYMYND-FOLVSLTJSA-N 1 0 327.340 2.048 20 5 EEBDRO CON(C)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895040652 683490296 /nfs/dbraw/zinc/49/02/96/683490296.db2.gz BHMNXFRJSVQMIF-UHFFFAOYSA-N 1 0 335.385 2.433 20 5 EEBDRO Cc1cocc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025947788 683679986 /nfs/dbraw/zinc/67/99/86/683679986.db2.gz YHNMMCDPHSSSSI-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000893221560 684171986 /nfs/dbraw/zinc/17/19/86/684171986.db2.gz MTYHUPWAWQZMCO-RDBSUJKOSA-N 1 0 334.420 2.480 20 5 EEBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246664 684382597 /nfs/dbraw/zinc/38/25/97/684382597.db2.gz OZAGNFKMUOEBIL-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(F)c[nH]1 ZINC000984340646 684440041 /nfs/dbraw/zinc/44/00/41/684440041.db2.gz REMXAEXQTVWPPT-MQMHXKEQSA-N 1 0 346.362 2.360 20 5 EEBDRO Cc1c(CC(=O)OCCC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000893387064 685186853 /nfs/dbraw/zinc/18/68/53/685186853.db2.gz ZCAPGPIFWXMOCT-CYBMUJFWSA-N 1 0 336.388 2.100 20 5 EEBDRO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC000985434218 686711983 /nfs/dbraw/zinc/71/19/83/686711983.db2.gz RHPZOYGVDDWNOD-NVXWUHKLSA-N 1 0 349.406 2.222 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000905090961 694521223 /nfs/dbraw/zinc/52/12/23/694521223.db2.gz WJILHBMCFYNOHJ-UHFFFAOYSA-N 1 0 330.388 2.172 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c[nH]1 ZINC000990287146 692797109 /nfs/dbraw/zinc/79/71/09/692797109.db2.gz IXWXVDZIJXHYPN-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO COc1ccc(CNC(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000841724566 1187518193 /nfs/dbraw/zinc/51/81/93/1187518193.db2.gz GSFPZVUDEZRNLF-UHFFFAOYSA-N 1 0 336.392 2.015 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001105603848 1188269356 /nfs/dbraw/zinc/26/93/56/1188269356.db2.gz DHUIGZQHFJZUPS-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCOc1cccc(N2CC[NH2+]CC2)c1 ZINC000905612392 1189817693 /nfs/dbraw/zinc/81/76/93/1189817693.db2.gz LFVKRJYLHRQBCF-UHFFFAOYSA-N 1 0 343.383 2.462 20 5 EEBDRO C[N@H+](Cc1cn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000905822230 1189934528 /nfs/dbraw/zinc/93/45/28/1189934528.db2.gz XSEFHAPONZCLJY-OAHLLOKOSA-N 1 0 333.392 2.150 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643750 1196465071 /nfs/dbraw/zinc/46/50/71/1196465071.db2.gz RRHSJBGRQVNPPM-IXYNUQLISA-N 1 0 335.379 2.008 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873207492 1198529460 /nfs/dbraw/zinc/52/94/60/1198529460.db2.gz CCLGZXDKGWQZHZ-UHFFFAOYSA-N 1 0 347.444 2.336 20 5 EEBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170680894 1200781351 /nfs/dbraw/zinc/78/13/51/1200781351.db2.gz GSENWVPYRXLVCW-NSHDSACASA-N 1 0 339.355 2.166 20 5 EEBDRO CC[C@]1(O)CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000879310140 1200988718 /nfs/dbraw/zinc/98/87/18/1200988718.db2.gz DUSMZESJITYVES-HNNXBMFYSA-N 1 0 341.795 2.424 20 5 EEBDRO CCOc1cccc(N2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212554 1201466934 /nfs/dbraw/zinc/46/69/34/1201466934.db2.gz LMMWISAPCCXDJG-UHFFFAOYSA-N 1 0 348.447 2.210 20 5 EEBDRO COc1ccc(C[N@H+](CCO)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000880572418 1201526701 /nfs/dbraw/zinc/52/67/01/1201526701.db2.gz QZFIFDAZGLDFAM-SFHVURJKSA-N 1 0 346.383 2.131 20 5 EEBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000881779279 1201757781 /nfs/dbraw/zinc/75/77/81/1201757781.db2.gz HMFVJERGOCHNMA-UHFFFAOYSA-N 1 0 330.363 2.494 20 5 EEBDRO [NH3+]C1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000131758575 1202060723 /nfs/dbraw/zinc/06/07/23/1202060723.db2.gz OMBSHQURAMPZPU-UHFFFAOYSA-N 1 0 332.404 2.195 20 5 EEBDRO CN(CC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000889832992 1204722152 /nfs/dbraw/zinc/72/21/52/1204722152.db2.gz VCKPKRHCZXDSQO-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO Cc1ccc(N2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001095418498 1205721879 /nfs/dbraw/zinc/72/18/79/1205721879.db2.gz MXVDHLKAWVJBSA-UHFFFAOYSA-N 1 0 348.447 2.328 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000931197348 1206614516 /nfs/dbraw/zinc/61/45/16/1206614516.db2.gz FGUCWSPMGUTQCO-HUUCEWRRSA-N 1 0 343.387 2.095 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312042 1206623767 /nfs/dbraw/zinc/62/37/67/1206623767.db2.gz TZVZYGBEYNGNEX-ROUUACIJSA-N 1 0 346.431 2.115 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932297958 1207577953 /nfs/dbraw/zinc/57/79/53/1207577953.db2.gz GOOMSVVGNCMAIE-HYVNUMGLSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155440446 1208327108 /nfs/dbraw/zinc/32/71/08/1208327108.db2.gz IEOASPIVWIHJEG-DOMZBBRYSA-N 1 0 331.376 2.046 20 5 EEBDRO COCC[N@H+](CC(C)C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000075666586 1208799698 /nfs/dbraw/zinc/79/96/98/1208799698.db2.gz LJZOTVBHYNLTJO-UHFFFAOYSA-N 1 0 333.392 2.415 20 5 EEBDRO CC[C@H](CSC)N(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000091024715 1213394012 /nfs/dbraw/zinc/39/40/12/1213394012.db2.gz UVTJKPNWMCVOLY-SNVBAGLBSA-N 1 0 337.401 2.222 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096039174 1233849584 /nfs/dbraw/zinc/84/95/84/1233849584.db2.gz XTVYOMULELBIMH-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCC[NH2+]1 ZINC000902489526 1237704131 /nfs/dbraw/zinc/70/41/31/1237704131.db2.gz QVQKDDOONDJTTE-DZGCQCFKSA-N 1 0 334.420 2.434 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000903229250 1240051697 /nfs/dbraw/zinc/05/16/97/1240051697.db2.gz WDFYKHQJIWIFBV-AWEZNQCLSA-N 1 0 337.420 2.366 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050516460 1243769396 /nfs/dbraw/zinc/76/93/96/1243769396.db2.gz CDHRWQOXCKKSBI-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097190969 1243803155 /nfs/dbraw/zinc/80/31/55/1243803155.db2.gz XTBLUFSPYKDRTG-TXEJJXNPSA-N 1 0 338.383 2.133 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001101775635 1246189796 /nfs/dbraw/zinc/18/97/96/1246189796.db2.gz BHYXBIVIYSQFMX-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CSCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199233059 1285553353 /nfs/dbraw/zinc/55/33/53/1285553353.db2.gz MNZVYYNRHHGMBV-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854650368 1292905696 /nfs/dbraw/zinc/90/56/96/1292905696.db2.gz PQIPBTSSWVGLPG-NOZJJQNGSA-N 1 0 343.786 2.481 20 5 EEBDRO CCc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2CCOC)cc1[N+](=O)[O-] ZINC000861035321 1295225344 /nfs/dbraw/zinc/22/53/44/1295225344.db2.gz ZDMBCFJCDHLWME-HNNXBMFYSA-N 1 0 336.388 2.425 20 5 EEBDRO O=C(c1ccc[nH]1)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072463736 1295699975 /nfs/dbraw/zinc/69/99/75/1295699975.db2.gz UXVJHFXVZFMDFT-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[NH2+][C@H]1C[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001217957649 1297536599 /nfs/dbraw/zinc/53/65/99/1297536599.db2.gz PHTMVTODBNAGOI-OCAPTIKFSA-N 1 0 348.140 2.329 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001102040892 1300185695 /nfs/dbraw/zinc/18/56/95/1300185695.db2.gz AXKBDKUSODMYTP-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO Cc1cc(Br)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225594942 1301081653 /nfs/dbraw/zinc/08/16/53/1301081653.db2.gz DQCGPTPGLSRDRX-GFCCVEGCSA-N 1 0 331.230 2.120 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(C)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225635666 1301105331 /nfs/dbraw/zinc/10/53/31/1301105331.db2.gz KXJQZGMNUNOSLU-AYDFFVQHSA-N 1 0 334.372 2.449 20 5 EEBDRO CC[NH+]1CCC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227498203 1301854115 /nfs/dbraw/zinc/85/41/15/1301854115.db2.gz MRCSAOXBJPLASA-UHFFFAOYSA-N 1 0 340.292 2.274 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc(C(N)=O)c1 ZINC000797516997 1304763158 /nfs/dbraw/zinc/76/31/58/1304763158.db2.gz DOKORKPMZLPFJT-UHFFFAOYSA-N 1 0 329.356 2.334 20 5 EEBDRO CCOCCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234318885 1304866342 /nfs/dbraw/zinc/86/63/42/1304866342.db2.gz LNOOWYQLGFNXCS-UHFFFAOYSA-N 1 0 337.420 2.350 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001149082244 1308934232 /nfs/dbraw/zinc/93/42/32/1308934232.db2.gz BUVHXYNAEBEADN-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001119323077 1309048400 /nfs/dbraw/zinc/04/84/00/1309048400.db2.gz VEDHFJBJAFTXRF-NSHDSACASA-N 1 0 327.331 2.186 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC(F)(F)CN1)CC2 ZINC001246094683 1310235224 /nfs/dbraw/zinc/23/52/24/1310235224.db2.gz XHCSBGRVSKCPPC-KGLIPLIRSA-N 1 0 325.359 2.429 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2[C@H](C)C[NH2+]C[C@@H]2C)c1F ZINC001246587642 1310350006 /nfs/dbraw/zinc/35/00/06/1310350006.db2.gz SWOOLLSKQXITBJ-UTUOFQBUSA-N 1 0 325.384 2.356 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1F ZINC001246869296 1310454460 /nfs/dbraw/zinc/45/44/60/1310454460.db2.gz WCRRKRXDMCUSGP-AVGNSLFASA-N 1 0 337.395 2.357 20 5 EEBDRO O[C@@H]1CC[NH2+]C[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247756160 1310713188 /nfs/dbraw/zinc/71/31/88/1310713188.db2.gz INFNLCURURLZCV-UKRRQHHQSA-N 1 0 347.378 2.271 20 5 EEBDRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000840964834 1315446704 /nfs/dbraw/zinc/44/67/04/1315446704.db2.gz SRCGSONWKHTYED-UHFFFAOYSA-N 1 0 326.418 2.385 20 5 EEBDRO [NH3+]C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841161617 1315492972 /nfs/dbraw/zinc/49/29/72/1315492972.db2.gz NRYJSVYFIMHLTL-UHFFFAOYSA-N 1 0 343.181 2.312 20 5 EEBDRO CC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841858790 1315625507 /nfs/dbraw/zinc/62/55/07/1315625507.db2.gz USGIGDWOKKVPLB-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476503 1315712742 /nfs/dbraw/zinc/71/27/42/1315712742.db2.gz QCEXVGXPBKKWTQ-FTGAXOIBSA-N 1 0 340.811 2.163 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843053310 1315830422 /nfs/dbraw/zinc/83/04/22/1315830422.db2.gz UYHMITSTZJCGHM-JTQLQIEISA-N 1 0 328.210 2.399 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000843223949 1315870278 /nfs/dbraw/zinc/87/02/78/1315870278.db2.gz YWMXTOZNFHUOPC-NSHDSACASA-N 1 0 332.360 2.119 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000843223263 1315870648 /nfs/dbraw/zinc/87/06/48/1315870648.db2.gz NUTCTAQORUGMMW-ZDUSSCGKSA-N 1 0 344.371 2.434 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C[NH3+])C1 ZINC000843347875 1315895390 /nfs/dbraw/zinc/89/53/90/1315895390.db2.gz XMTSEKJAUSCXHJ-MNOVXSKESA-N 1 0 340.811 2.246 20 5 EEBDRO C[NH2+]CC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843349127 1315896137 /nfs/dbraw/zinc/89/61/37/1315896137.db2.gz HXFSGTIPVOVILY-UHFFFAOYSA-N 1 0 340.811 2.118 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843353551 1315898232 /nfs/dbraw/zinc/89/82/32/1315898232.db2.gz LDPVTESQKQKBBN-GHMZBOCLSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364400 1315901603 /nfs/dbraw/zinc/90/16/03/1315901603.db2.gz HVWOWBLUEURHRH-AXFHLTTASA-N 1 0 340.811 2.244 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ccc3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155267478 1317530913 /nfs/dbraw/zinc/53/09/13/1317530913.db2.gz GIFYHJCUXLBMEO-UHFFFAOYSA-N 1 0 329.316 2.156 20 5 EEBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155514443 1317631666 /nfs/dbraw/zinc/63/16/66/1317631666.db2.gz IBFJUIGVYASCML-ZBEGNZNMSA-N 1 0 348.790 2.444 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155561773 1317652341 /nfs/dbraw/zinc/65/23/41/1317652341.db2.gz PGGVGMVWSPRCQR-SECBINFHSA-N 1 0 326.765 2.200 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)cnc2c1 ZINC001155591321 1317663922 /nfs/dbraw/zinc/66/39/22/1317663922.db2.gz HLDFJZLDHAXHDQ-SJCJKPOMSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c21 ZINC001155602047 1317670042 /nfs/dbraw/zinc/67/00/42/1317670042.db2.gz MGSUVHQIGPKGML-SJCJKPOMSA-N 1 0 343.387 2.109 20 5 EEBDRO [NH3+]CCc1nccn1-c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001156483600 1318033885 /nfs/dbraw/zinc/03/38/85/1318033885.db2.gz SRHDTNOPHSZGBV-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO COC(=O)[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473865 1318082190 /nfs/dbraw/zinc/08/21/90/1318082190.db2.gz IWNBHVWWTKRXGB-CYBMUJFWSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3nncs3)CC2)cc1 ZINC001254470884 1318083432 /nfs/dbraw/zinc/08/34/32/1318083432.db2.gz WCEBTSRCZGIMRW-UHFFFAOYSA-N 1 0 333.417 2.247 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001254538723 1318115224 /nfs/dbraw/zinc/11/52/24/1318115224.db2.gz ZYIYRWAAQNBGKM-CYBMUJFWSA-N 1 0 343.383 2.488 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2N)CC1 ZINC001254567068 1318124768 /nfs/dbraw/zinc/12/47/68/1318124768.db2.gz VYHZSFDSAJZLTF-AWEZNQCLSA-N 1 0 341.415 2.325 20 5 EEBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572582 1318126564 /nfs/dbraw/zinc/12/65/64/1318126564.db2.gz QPYYWIZRRGOLMS-HNNXBMFYSA-N 1 0 346.408 2.255 20 5 EEBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586248 1318133829 /nfs/dbraw/zinc/13/38/29/1318133829.db2.gz ORXYUQZRIHCMRN-HOTGVXAUSA-N 1 0 329.400 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cn(Cc3ccncc3)cn1)C2 ZINC001254585683 1318135082 /nfs/dbraw/zinc/13/50/82/1318135082.db2.gz DWDMXYWEUGYGEJ-QGZVFWFLSA-N 1 0 349.394 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3ccncn3)CC1)C2 ZINC001254586134 1318135391 /nfs/dbraw/zinc/13/53/91/1318135391.db2.gz HSMUDOUKMKAKGG-INIZCTEOSA-N 1 0 339.399 2.111 20 5 EEBDRO [NH2+]=C(N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cnc2ccc(F)cn21 ZINC001254590686 1318136572 /nfs/dbraw/zinc/13/65/72/1318136572.db2.gz YSMMXUTYBNPXLY-ZDUSSCGKSA-N 1 0 339.330 2.464 20 5 EEBDRO Cc1cncnc1O[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606116 1318142121 /nfs/dbraw/zinc/14/21/21/1318142121.db2.gz DZJCDSOXCZJPFC-IRXDYDNUSA-N 1 0 340.383 2.314 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001254852417 1318204345 /nfs/dbraw/zinc/20/43/45/1318204345.db2.gz YXZAPJKWMJCTQX-ZDUSSCGKSA-N 1 0 345.315 2.362 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC001256082179 1318640331 /nfs/dbraw/zinc/64/03/31/1318640331.db2.gz AHAXSFCZHSNFFH-RDJZCZTQSA-N 1 0 349.431 2.465 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001157748364 1318831018 /nfs/dbraw/zinc/83/10/18/1318831018.db2.gz WAYZVNIHWMFSMG-LLVKDONJSA-N 1 0 329.360 2.286 20 5 EEBDRO Cc1ncn(-c2ncnc3ccc([N+](=O)[O-])cc32)c1CSCC[NH3+] ZINC001157961623 1318949427 /nfs/dbraw/zinc/94/94/27/1318949427.db2.gz JXXQGEJYVQFVII-UHFFFAOYSA-N 1 0 344.400 2.224 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3nccc4cc([N+](=O)[O-])ccc43)n2)c1 ZINC001158048599 1318984342 /nfs/dbraw/zinc/98/43/42/1318984342.db2.gz IWRWPFBYBHIFHT-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO COc1cnc(N2CCN(c3cc[nH+]cc3C)CC2)c([N+](=O)[O-])c1 ZINC001158105909 1319017487 /nfs/dbraw/zinc/01/74/87/1319017487.db2.gz MDKTXNHDOAAGGC-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1CCc2ccccc21 ZINC001158920149 1319507676 /nfs/dbraw/zinc/50/76/76/1319507676.db2.gz JDHOBDSHRMFYBB-AWEZNQCLSA-N 1 0 325.372 2.195 20 5 EEBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001159453728 1319814741 /nfs/dbraw/zinc/81/47/41/1319814741.db2.gz ZNUCVBCQDIDQBD-UHFFFAOYSA-N 1 0 340.767 2.174 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CCC[C@H]3[NH+]3CCOCC3)nc21 ZINC001160726364 1320250495 /nfs/dbraw/zinc/25/04/95/1320250495.db2.gz SFODYGSPCMCRRD-DGCLKSJQSA-N 1 0 331.376 2.136 20 5 EEBDRO O=C(Cc1ccccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161125306 1320394812 /nfs/dbraw/zinc/39/48/12/1320394812.db2.gz SBSLNOJWQYCNPQ-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001162093498 1320747021 /nfs/dbraw/zinc/74/70/21/1320747021.db2.gz XFLMDFOJIAAXHF-JTQLQIEISA-N 1 0 332.326 2.319 20 5 EEBDRO Cc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162198029 1320780932 /nfs/dbraw/zinc/78/09/32/1320780932.db2.gz PQJSWMMSECMWBN-SHTZXODSSA-N 1 0 342.403 2.365 20 5 EEBDRO CCCC(C[NH3+])(CCC)Nc1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001163040935 1321020827 /nfs/dbraw/zinc/02/08/27/1321020827.db2.gz VSAYOHCECINPOG-UHFFFAOYSA-N 1 0 338.412 2.361 20 5 EEBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163285853 1321088286 /nfs/dbraw/zinc/08/82/86/1321088286.db2.gz WWUCLMKGLFYEKH-MEBBXXQBSA-N 1 0 327.331 2.444 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001163522613 1321148131 /nfs/dbraw/zinc/14/81/31/1321148131.db2.gz BSJJTYQCIMEBNK-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO O=C(NCCC1(C[NH2+]C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164491058 1321395563 /nfs/dbraw/zinc/39/55/63/1321395563.db2.gz YSYYHJJUPUZYMR-MWRSBEEJSA-N 1 0 343.427 2.241 20 5 EEBDRO [NH3+]CC1(F)CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165263833 1321485876 /nfs/dbraw/zinc/48/58/76/1321485876.db2.gz HORGQZTVTLLYPB-UHFFFAOYSA-N 1 0 331.351 2.319 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[NH2+]CC[C@H]43)nn2)ccc1F ZINC001165297462 1321496229 /nfs/dbraw/zinc/49/62/29/1321496229.db2.gz DBSKGAGTPMPREP-UONOGXRCSA-N 1 0 329.335 2.132 20 5 EEBDRO Cc1cc(N2CC[C@H]3C[C@@]3([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165329482 1321502014 /nfs/dbraw/zinc/50/20/14/1321502014.db2.gz PIHLCNOEQPAABH-SUMWQHHRSA-N 1 0 325.372 2.288 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165350361 1321506240 /nfs/dbraw/zinc/50/62/40/1321506240.db2.gz VLFDNXSNCGDVEP-NWDGAFQWSA-N 1 0 331.763 2.114 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001165432862 1321525657 /nfs/dbraw/zinc/52/56/57/1321525657.db2.gz UXNPSVNNUVVHND-NXEZZACHSA-N 1 0 328.775 2.465 20 5 EEBDRO CC[N+](C)(C)Cc1ccccc1Nc1c(N=O)c(=O)[nH]c(=O)n1C ZINC001165686225 1321566314 /nfs/dbraw/zinc/56/63/14/1321566314.db2.gz SCKXTTXFKUUBFH-UHFFFAOYSA-O 1 0 332.384 2.224 20 5 EEBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001263712187 1322506671 /nfs/dbraw/zinc/50/66/71/1322506671.db2.gz XOOHHZKEMQRRTF-UNEWFSDZSA-N 1 0 331.416 2.374 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001307149404 1328431782 /nfs/dbraw/zinc/43/17/82/1328431782.db2.gz IRDDHHXZQBBOCI-CABCVRRESA-N 1 0 335.404 2.451 20 5 EEBDRO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC001308016812 1331557976 /nfs/dbraw/zinc/55/79/76/1331557976.db2.gz PVYYOORPZUGHOL-QGZVFWFLSA-N 1 0 349.387 2.163 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC001308409252 1331590210 /nfs/dbraw/zinc/59/02/10/1331590210.db2.gz XSEGFJCQZAEJQJ-GUYCJALGSA-N 1 0 346.387 2.347 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324544316 1333705323 /nfs/dbraw/zinc/70/53/23/1333705323.db2.gz PCUQSKJQPHYSMK-MRXNPFEDSA-N 1 0 335.404 2.011 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1F ZINC001331046811 1334952951 /nfs/dbraw/zinc/95/29/51/1334952951.db2.gz YUJVIBMTVJFJEE-CHWSQXEVSA-N 1 0 339.367 2.345 20 5 EEBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1CCO ZINC001331160000 1334973372 /nfs/dbraw/zinc/97/33/72/1334973372.db2.gz FMILGEUFDJPFJC-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001331462515 1335018079 /nfs/dbraw/zinc/01/80/79/1335018079.db2.gz IRBIVOLZZXNDHD-MRVPVSSYSA-N 1 0 333.722 2.223 20 5 EEBDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001335460118 1336378701 /nfs/dbraw/zinc/37/87/01/1336378701.db2.gz LHUNDKBDWQKWOO-CQSZACIVSA-N 1 0 344.433 2.019 20 5 EEBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001336995163 1336627302 /nfs/dbraw/zinc/62/73/02/1336627302.db2.gz JURSSJYPRUUFSA-UHFFFAOYSA-N 1 0 325.674 2.211 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC001337337760 1336686016 /nfs/dbraw/zinc/68/60/16/1336686016.db2.gz GVJUUMRBQGFJBC-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337971416 1336765872 /nfs/dbraw/zinc/76/58/72/1336765872.db2.gz QKNHXCYRTYFYNA-UHFFFAOYSA-N 1 0 340.811 2.381 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CC4(CC4)C3)c2)CC1 ZINC001338334599 1336842915 /nfs/dbraw/zinc/84/29/15/1336842915.db2.gz FYXZZZQTBXGEKH-UHFFFAOYSA-N 1 0 344.415 2.475 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC001341783186 1337298711 /nfs/dbraw/zinc/29/87/11/1337298711.db2.gz CCJIZOXQEFDQSP-IMRBUKKESA-N 1 0 340.221 2.349 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352532 1338691078 /nfs/dbraw/zinc/69/10/78/1338691078.db2.gz QIYWJVDFORJHDO-KBPBESRZSA-N 1 0 336.367 2.063 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481427 1338705754 /nfs/dbraw/zinc/70/57/54/1338705754.db2.gz CWUBYKOSLBFXLT-QGZVFWFLSA-N 1 0 344.371 2.301 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001575799782 1343888823 /nfs/dbraw/zinc/88/88/23/1343888823.db2.gz ZTXFOVYNTORSOP-LBPRGKRZSA-N 1 0 335.404 2.500 20 5 EEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001575821059 1343895325 /nfs/dbraw/zinc/89/53/25/1343895325.db2.gz OAGZDULXOMFQHS-WDNDVIMCSA-N 1 0 335.429 2.291 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116992 1343968429 /nfs/dbraw/zinc/96/84/29/1343968429.db2.gz CZIXPPVMYVYRGB-NWDGAFQWSA-N 1 0 331.376 2.204 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001578760913 1344300762 /nfs/dbraw/zinc/30/07/62/1344300762.db2.gz XMAUVWFBQSDUFO-UHFFFAOYSA-N 1 0 334.420 2.474 20 5 EEBDRO C[NH2+]C1(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001579424464 1344380809 /nfs/dbraw/zinc/38/08/09/1344380809.db2.gz DZZGOOPSFNVIBP-UHFFFAOYSA-N 1 0 331.380 2.109 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC001580493614 1344526240 /nfs/dbraw/zinc/52/62/40/1344526240.db2.gz ISMJOUNFZDKYMY-YIALFULDSA-N 1 0 339.355 2.114 20 5 EEBDRO O=C(OCc1cccc([N+](=O)[O-])c1)c1cnc(C2CC[NH2+]CC2)o1 ZINC001580801365 1344560714 /nfs/dbraw/zinc/56/07/14/1344560714.db2.gz OQODQJVSNLHTDT-UHFFFAOYSA-N 1 0 331.328 2.407 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001589969770 1349086384 /nfs/dbraw/zinc/08/63/84/1349086384.db2.gz FQJWRXBDWQRJBM-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001593471298 1349806927 /nfs/dbraw/zinc/80/69/27/1349806927.db2.gz QPDRLTYXBIZIOZ-ZDUSSCGKSA-N 1 0 343.391 2.204 20 5 EEBDRO CC(C)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001603165276 1350653095 /nfs/dbraw/zinc/65/30/95/1350653095.db2.gz ICIFQLAOEWIKFC-UHFFFAOYSA-N 1 0 346.391 2.070 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604740202 1350995048 /nfs/dbraw/zinc/99/50/48/1350995048.db2.gz SYRRAIKIPNUDIO-CYBMUJFWSA-N 1 0 345.407 2.086 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564440 1368036224 /nfs/dbraw/zinc/03/62/24/1368036224.db2.gz IUPAEZTVMDWFDA-XHDPSFHLSA-N 1 0 345.403 2.094 20 5 EEBDRO Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000823921506 1368095981 /nfs/dbraw/zinc/09/59/81/1368095981.db2.gz VSRYVVLXBOCGDO-ZIAGYGMSSA-N 1 0 333.392 2.315 20 5 EEBDRO CC1(NC(=O)Cc2c[nH]cn2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110610159 1369201157 /nfs/dbraw/zinc/20/11/57/1369201157.db2.gz PTLKZLFYEJFQMB-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001576481903 1403577345 /nfs/dbraw/zinc/57/73/45/1403577345.db2.gz HFTDTCGYLSAOLP-UHFFFAOYSA-N 1 0 328.372 2.154 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001576800760 1403606942 /nfs/dbraw/zinc/60/69/42/1403606942.db2.gz LJMXWEGHESNKEN-GHMZBOCLSA-N 1 0 340.811 2.103 20 5 EEBDRO [NH3+]C1(CO)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001580156514 1403839364 /nfs/dbraw/zinc/83/93/64/1403839364.db2.gz BPKNOSZQLVINNK-UHFFFAOYSA-N 1 0 334.203 2.187 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001164672379 719447705 /nfs/dbraw/zinc/44/77/05/719447705.db2.gz RCRRVLLXWPFLMA-LSDHHAIUSA-N 1 0 348.790 2.316 20 5 EEBDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000919627660 770090025 /nfs/dbraw/zinc/09/00/25/770090025.db2.gz OUOSAQRMOXWGCN-DOMZBBRYSA-N 1 0 332.404 2.439 20 5 EEBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000068116572 774199687 /nfs/dbraw/zinc/19/96/87/774199687.db2.gz OQBVRDRLFLZWRI-SJKOYZFVSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000846694149 790419011 /nfs/dbraw/zinc/41/90/11/790419011.db2.gz NFQGHYGAIAOXIE-YGRLFVJLSA-N 1 0 336.348 2.093 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000846694789 790423582 /nfs/dbraw/zinc/42/35/82/790423582.db2.gz CHQYRHHTHJKYFK-UHFFFAOYSA-N 1 0 336.348 2.012 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091361160 790441870 /nfs/dbraw/zinc/44/18/70/790441870.db2.gz KLOBARKRTWBUKP-OKILXGFUSA-N 1 0 349.435 2.028 20 5 EEBDRO CC1(C)CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846955797 790774054 /nfs/dbraw/zinc/77/40/54/790774054.db2.gz GXYMSUYTFUSCKQ-MRXNPFEDSA-N 1 0 346.431 2.022 20 5 EEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938182 780320438 /nfs/dbraw/zinc/32/04/38/780320438.db2.gz BXWFLHBCDIZMJF-NOZJJQNGSA-N 1 0 326.194 2.498 20 5 EEBDRO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001112132436 781144763 /nfs/dbraw/zinc/14/47/63/781144763.db2.gz OCBOSXIHMUFJJH-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000906351967 783841115 /nfs/dbraw/zinc/84/11/15/783841115.db2.gz SSHQNNGRUWBFLA-ZDUSSCGKSA-N 1 0 335.404 2.342 20 5 EEBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907884883 784934457 /nfs/dbraw/zinc/93/44/57/784934457.db2.gz FODBZSOFZGQTMK-UHFFFAOYSA-N 1 0 327.743 2.379 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1coc(CC2CC2)n1 ZINC001136036181 785029986 /nfs/dbraw/zinc/02/99/86/785029986.db2.gz LOQWNDJALYIGMR-UHFFFAOYSA-N 1 0 344.371 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)cc1 ZINC000819042371 785371939 /nfs/dbraw/zinc/37/19/39/785371939.db2.gz MDLQSTPQIDWWDF-XDHUDOTRSA-N 1 0 348.424 2.167 20 5 EEBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCCCC1 ZINC000819170870 785444700 /nfs/dbraw/zinc/44/47/00/785444700.db2.gz CGCYBOHGIGPKLI-IRXDYDNUSA-N 1 0 347.415 2.151 20 5 EEBDRO CC(C)n1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001170951542 786016948 /nfs/dbraw/zinc/01/69/48/786016948.db2.gz IWTCUQWKPKRSHH-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO CCC(CC)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCOCC1 ZINC000822465580 787220066 /nfs/dbraw/zinc/22/00/66/787220066.db2.gz LSWXUYXDMGWVEG-HNNXBMFYSA-N 1 0 343.468 2.075 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790798 787380436 /nfs/dbraw/zinc/38/04/36/787380436.db2.gz LUWGBAJXBADDJF-NEPJUHHUSA-N 1 0 331.376 2.488 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000823305596 787664279 /nfs/dbraw/zinc/66/42/79/787664279.db2.gz KHFHSRSYTNXAJT-OAHLLOKOSA-N 1 0 335.404 2.260 20 5 EEBDRO Nc1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000823913769 787978736 /nfs/dbraw/zinc/97/87/36/787978736.db2.gz CHYAMAARONESAV-UHFFFAOYSA-N 1 0 347.419 2.421 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000824726187 788289581 /nfs/dbraw/zinc/28/95/81/788289581.db2.gz IKAYBGXYQRZGDW-HUUCEWRRSA-N 1 0 349.412 2.109 20 5 EEBDRO Cc1c[nH]c(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000997079419 788691038 /nfs/dbraw/zinc/69/10/38/788691038.db2.gz MOPRBMWTYZPVDQ-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923350330 789420490 /nfs/dbraw/zinc/42/04/90/789420490.db2.gz DIHFDPFHPPJSFJ-JQWIXIFHSA-N 1 0 346.200 2.489 20 5 EEBDRO O=C(Cc1ccc[nH]1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997338810 789641559 /nfs/dbraw/zinc/64/15/59/789641559.db2.gz KWEKUSUTPZSDEX-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCCC[NH+](C)C)c1 ZINC000845284940 789710975 /nfs/dbraw/zinc/71/09/75/789710975.db2.gz JOUFNLDMAQVAKD-UHFFFAOYSA-N 1 0 346.387 2.257 20 5 EEBDRO Cc1nccn1C[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000171461440 791365945 /nfs/dbraw/zinc/36/59/45/791365945.db2.gz NQJPVVHEYOWCGM-LLVKDONJSA-N 1 0 331.376 2.056 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173467300 791853912 /nfs/dbraw/zinc/85/39/12/791853912.db2.gz DONRMEKGKVFLDW-INIZCTEOSA-N 1 0 344.419 2.227 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001171392855 794558603 /nfs/dbraw/zinc/55/86/03/794558603.db2.gz HDNZBXUJAHGVQB-LBPRGKRZSA-N 1 0 325.328 2.100 20 5 EEBDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914160697 795033285 /nfs/dbraw/zinc/03/32/85/795033285.db2.gz IYQDAHHHBJVIIN-CHWSQXEVSA-N 1 0 332.404 2.439 20 5 EEBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001106803688 796638518 /nfs/dbraw/zinc/63/85/18/796638518.db2.gz KHNQWVNKXZORMU-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904429 797131148 /nfs/dbraw/zinc/13/11/48/797131148.db2.gz NJYBGHZYTACVHT-SJORKVTESA-N 1 0 343.427 2.443 20 5 EEBDRO CNC(=O)N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905962 797131936 /nfs/dbraw/zinc/13/19/36/797131936.db2.gz VGZQVPMPZXVULD-OAHLLOKOSA-N 1 0 346.431 2.236 20 5 EEBDRO CC(=O)N1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172922208 797152871 /nfs/dbraw/zinc/15/28/71/797152871.db2.gz XHOGJYFTCNGBDM-SUMWQHHRSA-N 1 0 331.416 2.395 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H](CO)C3CC3)CC2)c(F)c1 ZINC001173010190 797196002 /nfs/dbraw/zinc/19/60/02/797196002.db2.gz USLXVDWTDUGDEK-HNNXBMFYSA-N 1 0 341.358 2.202 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000917661162 798312208 /nfs/dbraw/zinc/31/22/08/798312208.db2.gz PBOCCFORTSWLNM-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002782601 798604594 /nfs/dbraw/zinc/60/45/94/798604594.db2.gz MECUWTTUVKNDFQ-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001086066272 802056724 /nfs/dbraw/zinc/05/67/24/802056724.db2.gz UAVSWKTXROOUCJ-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccoc1 ZINC001086308744 802708556 /nfs/dbraw/zinc/70/85/56/802708556.db2.gz NDBQARUWDWXFGH-CTYIDZIISA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC001086512052 803183903 /nfs/dbraw/zinc/18/39/03/803183903.db2.gz SDSBOEBRMPRRIS-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168982867 803546209 /nfs/dbraw/zinc/54/62/09/803546209.db2.gz JDWONMKHHPJIDF-CRWXNKLISA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168960715 803550162 /nfs/dbraw/zinc/55/01/62/803550162.db2.gz GOMBDOGLNKFVOG-OLZOCXBDSA-N 1 0 339.436 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168961929 803551174 /nfs/dbraw/zinc/55/11/74/803551174.db2.gz LHIBXSMMPFSZGH-HZSPNIEDSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](F)C1 ZINC001168969113 803553232 /nfs/dbraw/zinc/55/32/32/803553232.db2.gz CLFKGFZVNYGXLC-REWJHTLYSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)C(=O)CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991923 803558868 /nfs/dbraw/zinc/55/88/68/803558868.db2.gz IHWRAKHZPXENKG-DZGCQCFKSA-N 1 0 325.453 2.101 20 5 EEBDRO O=C1CCCCN1c1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168995248 803562109 /nfs/dbraw/zinc/56/21/09/803562109.db2.gz SBJYNELRJCCXOW-CABCVRRESA-N 1 0 332.404 2.134 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccn1 ZINC001168997759 803563455 /nfs/dbraw/zinc/56/34/55/803563455.db2.gz FOLLVPMQNTXEPW-FPCVCCKLSA-N 1 0 346.431 2.158 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3cc(Cl)ncn3)CC2)C1 ZINC001169028450 803575805 /nfs/dbraw/zinc/57/58/05/803575805.db2.gz SBYYHJGBRNZQPJ-RYUDHWBXSA-N 1 0 340.811 2.419 20 5 EEBDRO O=C(c1ccsc1)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169026458 803592295 /nfs/dbraw/zinc/59/22/95/803592295.db2.gz XGLRYJCWWNHJAZ-DMRZNYOFSA-N 1 0 349.456 2.197 20 5 EEBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169050657 803595468 /nfs/dbraw/zinc/59/54/68/803595468.db2.gz CGFXXDFQKMKNSY-RRFJBIMHSA-N 1 0 335.404 2.379 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1ccccc1F ZINC001169056359 803597785 /nfs/dbraw/zinc/59/77/85/803597785.db2.gz SJNBQJVXRSBKFD-RRFJBIMHSA-N 1 0 349.406 2.465 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242738 803666764 /nfs/dbraw/zinc/66/67/64/803666764.db2.gz WYLYFNBBQBOODP-UHFFFAOYSA-N 1 0 331.376 2.214 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001109485826 805542406 /nfs/dbraw/zinc/54/24/06/805542406.db2.gz UMUZEEDTIGYXDL-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000787241849 807050241 /nfs/dbraw/zinc/05/02/41/807050241.db2.gz HJKUWLLQQSGBBM-DGCLKSJQSA-N 1 0 332.360 2.094 20 5 EEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000787570115 807155183 /nfs/dbraw/zinc/15/51/83/807155183.db2.gz FSHDKRDFIKTABA-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccn(CCF)n2)c([N+](=O)[O-])c1 ZINC001170325615 809891536 /nfs/dbraw/zinc/89/15/36/809891536.db2.gz XEWQCMBPMQEDFQ-LBPRGKRZSA-N 1 0 336.367 2.490 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001130637284 811876041 /nfs/dbraw/zinc/87/60/41/811876041.db2.gz WJRABYYOFCOWPZ-UHFFFAOYSA-N 1 0 342.399 2.173 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807786974 812345914 /nfs/dbraw/zinc/34/59/14/812345914.db2.gz NFURFBUNWNPQPK-OAHLLOKOSA-N 1 0 346.362 2.349 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171878178 529466914 /nfs/dbraw/zinc/46/69/14/529466914.db2.gz DFXPWFXQXBSJIJ-UHFFFAOYSA-N 1 0 337.424 2.266 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173665118 529929869 /nfs/dbraw/zinc/92/98/69/529929869.db2.gz AVXBFSIMROFGDP-ZDUSSCGKSA-N 1 0 341.433 2.090 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000178681026 232369796 /nfs/dbraw/zinc/36/97/96/232369796.db2.gz PWVYDODMPNMPLL-VXGBXAGGSA-N 1 0 336.392 2.177 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000069129204 215361846 /nfs/dbraw/zinc/36/18/46/215361846.db2.gz NSDOAHKSUWMLDU-SECBINFHSA-N 1 0 347.824 2.009 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000181816514 234335849 /nfs/dbraw/zinc/33/58/49/234335849.db2.gz GHNPXNSXQLIMCL-MJBXVCDLSA-N 1 0 335.404 2.190 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453332875 295873071 /nfs/dbraw/zinc/87/30/71/295873071.db2.gz IRDUIUNLQURATM-BHYGNILZSA-N 1 0 333.432 2.369 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCC1 ZINC000185078094 235576600 /nfs/dbraw/zinc/57/66/00/235576600.db2.gz KYIODDJFCIFIOZ-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(CO)CC1 ZINC000186930203 236068723 /nfs/dbraw/zinc/06/87/23/236068723.db2.gz VFUOUKXWTOBCKT-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000193896046 240349780 /nfs/dbraw/zinc/34/97/80/240349780.db2.gz RXKMQIQEBBJIGD-PXAZEXFGSA-N 1 0 325.368 2.487 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130781824 223176377 /nfs/dbraw/zinc/17/63/77/223176377.db2.gz NXLZMBAGDPAZPE-ZDUSSCGKSA-N 1 0 345.403 2.449 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000133206570 223396639 /nfs/dbraw/zinc/39/66/39/223396639.db2.gz JVNMPINAGLKOCI-DOTOQJQBSA-N 1 0 331.416 2.388 20 5 EEBDRO Cc1cc(NC[C@@H]2C[NH2+]CCO2)c(Br)cc1[N+](=O)[O-] ZINC000235904061 242284940 /nfs/dbraw/zinc/28/49/40/242284940.db2.gz STQHMAVHXBXQON-VIFPVBQESA-N 1 0 330.182 2.066 20 5 EEBDRO CSc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449658567 242590469 /nfs/dbraw/zinc/59/04/69/242590469.db2.gz TVWUTEOJICUUNZ-NSHDSACASA-N 1 0 331.344 2.044 20 5 EEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000237847727 242820284 /nfs/dbraw/zinc/82/02/84/242820284.db2.gz WJEGUGFTPMUEHQ-UHFFFAOYSA-N 1 0 347.824 2.188 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451416855 243106271 /nfs/dbraw/zinc/10/62/71/243106271.db2.gz KVIJTQIVFOPCHK-DJIMGWMZSA-N 1 0 347.415 2.467 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451561588 243159795 /nfs/dbraw/zinc/15/97/95/243159795.db2.gz IUSODQVMMMENEN-SWLSCSKDSA-N 1 0 349.387 2.250 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000455995947 244127415 /nfs/dbraw/zinc/12/74/15/244127415.db2.gz NJNPKSCFOPMGJV-ZDUSSCGKSA-N 1 0 349.435 2.129 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456695062 244330858 /nfs/dbraw/zinc/33/08/58/244330858.db2.gz IWEGGFVDJMCTKJ-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000078459090 217055865 /nfs/dbraw/zinc/05/58/65/217055865.db2.gz VKKQJRVHCCCQPN-AWEZNQCLSA-N 1 0 348.403 2.089 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000078608683 217085241 /nfs/dbraw/zinc/08/52/41/217085241.db2.gz WSKMBSIADDPNIU-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000493819397 246819236 /nfs/dbraw/zinc/81/92/36/246819236.db2.gz JRDJWYYWUMITGN-IVZVJUQRSA-N 1 0 333.363 2.349 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000265101156 247203888 /nfs/dbraw/zinc/20/38/88/247203888.db2.gz DXQRCGNTDFBZAD-HOTGVXAUSA-N 1 0 333.388 2.485 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265302544 247387499 /nfs/dbraw/zinc/38/74/99/247387499.db2.gz YMFNYYNWIVSQEV-NSHDSACASA-N 1 0 341.795 2.085 20 5 EEBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380964 220316459 /nfs/dbraw/zinc/31/64/59/220316459.db2.gz RMPFMWVJEAZMEB-LRDDRELGSA-N 1 0 332.404 2.492 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000181292123 533138447 /nfs/dbraw/zinc/13/84/47/533138447.db2.gz HGGDFFUCEBGRCB-LLVKDONJSA-N 1 0 330.344 2.288 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000154030257 224192842 /nfs/dbraw/zinc/19/28/42/224192842.db2.gz DVWOQLURVASEFY-CQSZACIVSA-N 1 0 339.823 2.402 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269251662 255553433 /nfs/dbraw/zinc/55/34/33/255553433.db2.gz ZTTJYUNSFGNXMK-SECBINFHSA-N 1 0 331.294 2.343 20 5 EEBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1OC ZINC000269268084 255556108 /nfs/dbraw/zinc/55/61/08/255556108.db2.gz LGBSIVUPCMASKA-INIZCTEOSA-N 1 0 339.392 2.105 20 5 EEBDRO COc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237429570 256013163 /nfs/dbraw/zinc/01/31/63/256013163.db2.gz PAGSPBFAWBLWHX-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000117786824 221089785 /nfs/dbraw/zinc/08/97/85/221089785.db2.gz SKMARPXFSAWDJD-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261567 256042966 /nfs/dbraw/zinc/04/29/66/256042966.db2.gz WVFGZLJHRANNGB-JSGCOSHPSA-N 1 0 342.403 2.290 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141080 256117967 /nfs/dbraw/zinc/11/79/67/256117967.db2.gz DFDBIZPQNBUVSO-GUYCJALGSA-N 1 0 346.431 2.386 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000273022562 256258226 /nfs/dbraw/zinc/25/82/26/256258226.db2.gz UDOSGMMALGBFJO-LLVKDONJSA-N 1 0 334.376 2.375 20 5 EEBDRO CCOc1cccc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1[N+](=O)[O-] ZINC000273890569 256335878 /nfs/dbraw/zinc/33/58/78/256335878.db2.gz TUCKKJSTDLNKLO-HNNXBMFYSA-N 1 0 348.447 2.210 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273408928 256294055 /nfs/dbraw/zinc/29/40/55/256294055.db2.gz SMDVICGPSDFIMJ-NSHDSACASA-N 1 0 347.375 2.016 20 5 EEBDRO C[NH+](C)C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276029971 256396664 /nfs/dbraw/zinc/39/66/64/256396664.db2.gz RKILTPVWSCPCFA-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000275821903 256382505 /nfs/dbraw/zinc/38/25/05/256382505.db2.gz NBQBYKVYORQVBU-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054510673 292140057 /nfs/dbraw/zinc/14/00/57/292140057.db2.gz FNOMEEGCLSDQEO-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119230777 292243090 /nfs/dbraw/zinc/24/30/90/292243090.db2.gz TXMICXABIAXSIL-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000117783022 152083283 /nfs/dbraw/zinc/08/32/83/152083283.db2.gz YXJVJIZCRKBEII-CQSZACIVSA-N 1 0 337.807 2.487 20 5 EEBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173053799 152140424 /nfs/dbraw/zinc/14/04/24/152140424.db2.gz TVFGIGWISDPNON-CYBMUJFWSA-N 1 0 336.436 2.489 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000359479214 153388705 /nfs/dbraw/zinc/38/87/05/153388705.db2.gz YUENWYKHBDKKGK-STQMWFEESA-N 1 0 330.413 2.370 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000374164269 153986249 /nfs/dbraw/zinc/98/62/49/153986249.db2.gz RQPQBSWLJSSBSR-UHFFFAOYSA-N 1 0 332.404 2.125 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073786854 159056822 /nfs/dbraw/zinc/05/68/22/159056822.db2.gz GYJUNHZWCUFZEH-OAHLLOKOSA-N 1 0 334.420 2.468 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186233340 160063574 /nfs/dbraw/zinc/06/35/74/160063574.db2.gz SAPNJZDATICTIC-UHFFFAOYSA-N 1 0 345.403 2.497 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246442525 160279529 /nfs/dbraw/zinc/27/95/29/160279529.db2.gz BLLQKWVXHCBWGO-DVOMOZLQSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246915102 160300950 /nfs/dbraw/zinc/30/09/50/160300950.db2.gz MTFYVIBNGJBYCB-KEYYUXOJSA-N 1 0 346.431 2.338 20 5 EEBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000341739634 161009949 /nfs/dbraw/zinc/00/99/49/161009949.db2.gz BBGOCWNKRZHBNA-ZDUSSCGKSA-N 1 0 334.401 2.470 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000342380753 161061165 /nfs/dbraw/zinc/06/11/65/161061165.db2.gz KCMNZKRZMZXMQP-JSGCOSHPSA-N 1 0 328.372 2.316 20 5 EEBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000343486187 161140686 /nfs/dbraw/zinc/14/06/86/161140686.db2.gz GSSKLMAWEHPMMP-UHFFFAOYSA-N 1 0 330.388 2.435 20 5 EEBDRO Cc1cc(NC[C@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000343592152 161149816 /nfs/dbraw/zinc/14/98/16/161149816.db2.gz CHHSKPMFSSUWTE-CYBMUJFWSA-N 1 0 349.412 2.253 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345730738 161326691 /nfs/dbraw/zinc/32/66/91/161326691.db2.gz GHQNATGOXVZIFW-KBPBESRZSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000351986000 162015539 /nfs/dbraw/zinc/01/55/39/162015539.db2.gz DITXNXMJNCMFLF-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)(C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352059617 162051669 /nfs/dbraw/zinc/05/16/69/162051669.db2.gz IWUCNDHZTZMHTE-UHFFFAOYSA-N 1 0 331.416 2.427 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@@H]1O ZINC000352668138 162236530 /nfs/dbraw/zinc/23/65/30/162236530.db2.gz PXJRZEZPDQVSCV-STQMWFEESA-N 1 0 327.768 2.032 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352680806 162243297 /nfs/dbraw/zinc/24/32/97/162243297.db2.gz WTQQNYUOTPORNG-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352697136 162250084 /nfs/dbraw/zinc/25/00/84/162250084.db2.gz XYBILCVRBBAAFD-JHJVBQTASA-N 1 0 334.420 2.472 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352695662 162250334 /nfs/dbraw/zinc/25/03/34/162250334.db2.gz IPFWLCDVRPMCLU-IIMNLJJBSA-N 1 0 341.795 2.420 20 5 EEBDRO Cc1nnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000353565310 162611527 /nfs/dbraw/zinc/61/15/27/162611527.db2.gz BELHRBFPAXFWLH-NWDGAFQWSA-N 1 0 336.421 2.267 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000359214010 164084661 /nfs/dbraw/zinc/08/46/61/164084661.db2.gz PEIUBAJWQVOEDP-IAQYHMDHSA-N 1 0 332.404 2.185 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368245568 166075454 /nfs/dbraw/zinc/07/54/54/166075454.db2.gz VHFKNSTVKOZYET-SIXLDLHFSA-N 1 0 336.436 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000369025776 166172000 /nfs/dbraw/zinc/17/20/00/166172000.db2.gz FQYBARQNIXUVDY-HOTGVXAUSA-N 1 0 339.823 2.279 20 5 EEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H]1[NH+]1CCCC1 ZINC000275417499 269114620 /nfs/dbraw/zinc/11/46/20/269114620.db2.gz HBPNFDULVSCKKL-OLZOCXBDSA-N 1 0 340.424 2.332 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000277220357 269143536 /nfs/dbraw/zinc/14/35/36/269143536.db2.gz INSTVPFWWFSZLB-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCOCC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277431369 269155225 /nfs/dbraw/zinc/15/52/25/269155225.db2.gz GDOTWGQUKQLDHI-HNNXBMFYSA-N 1 0 338.404 2.226 20 5 EEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277530902 269160241 /nfs/dbraw/zinc/16/02/41/269160241.db2.gz MPBBVBAZXHOAGE-ZDUSSCGKSA-N 1 0 348.359 2.250 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277654139 269167811 /nfs/dbraw/zinc/16/78/11/269167811.db2.gz SUZUNRGVFPOPBW-LDYMZIIASA-N 1 0 331.294 2.341 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000277977526 269203001 /nfs/dbraw/zinc/20/30/01/269203001.db2.gz KBPGDWSIOVXDTH-LLVKDONJSA-N 1 0 339.421 2.217 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@]3(CCO)CCOC3)o2)c1 ZINC000278492136 269233213 /nfs/dbraw/zinc/23/32/13/269233213.db2.gz LMGLFXALPJBRDJ-KRWDZBQOSA-N 1 0 332.356 2.486 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000279310161 269269902 /nfs/dbraw/zinc/26/99/02/269269902.db2.gz RFQCWNWWSUMAMD-DZGCQCFKSA-N 1 0 335.404 2.373 20 5 EEBDRO CCC[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280127259 269330593 /nfs/dbraw/zinc/33/05/93/269330593.db2.gz LJOPIPVNOSMENY-UHFFFAOYSA-N 1 0 343.786 2.484 20 5 EEBDRO CNC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000281885795 269452000 /nfs/dbraw/zinc/45/20/00/269452000.db2.gz DCGIWJRCDXKEHE-KRWDZBQOSA-N 1 0 328.372 2.414 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343511197 273638781 /nfs/dbraw/zinc/63/87/81/273638781.db2.gz WLFZIMKUGMYCJD-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000342709500 274004195 /nfs/dbraw/zinc/00/41/95/274004195.db2.gz YXDNIKJGIPPQHE-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272755080 274181567 /nfs/dbraw/zinc/18/15/67/274181567.db2.gz FIRAWUMGHUMDLD-CMPLNLGQSA-N 1 0 335.408 2.009 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000274444558 274196449 /nfs/dbraw/zinc/19/64/49/274196449.db2.gz IAMCTULGQRJONE-ZDUSSCGKSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264647316 274203655 /nfs/dbraw/zinc/20/36/55/274203655.db2.gz WJLFBXGKMNNJNJ-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000337434358 274269942 /nfs/dbraw/zinc/26/99/42/274269942.db2.gz WLVFHYXUADIEQT-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000277246427 274277223 /nfs/dbraw/zinc/27/72/23/274277223.db2.gz JVIDDBPLFIYRSI-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000278398759 274351820 /nfs/dbraw/zinc/35/18/20/274351820.db2.gz GLGMWDXNRJTWRL-HNNXBMFYSA-N 1 0 333.432 2.370 20 5 EEBDRO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000278401999 274352670 /nfs/dbraw/zinc/35/26/70/274352670.db2.gz MZNRNBWQGJJUKI-SNVBAGLBSA-N 1 0 347.341 2.056 20 5 EEBDRO CCOC1CC(O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000278584879 274377589 /nfs/dbraw/zinc/37/75/89/274377589.db2.gz YLYVEYFFNDXIQH-PQUAAJSLSA-N 1 0 334.416 2.436 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000280961867 274614775 /nfs/dbraw/zinc/61/47/75/274614775.db2.gz INNOJFACBTXNOZ-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285154613 274686126 /nfs/dbraw/zinc/68/61/26/274686126.db2.gz XUUMQHYGTNDDRB-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286764896 274903941 /nfs/dbraw/zinc/90/39/41/274903941.db2.gz GETQQVFUIQGTFT-HOCLYGCPSA-N 1 0 346.431 2.482 20 5 EEBDRO CCc1nn(C)c(NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000288149343 275029152 /nfs/dbraw/zinc/02/91/52/275029152.db2.gz OAVCXMGULFDYLI-UHFFFAOYSA-N 1 0 344.419 2.362 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582893 275072486 /nfs/dbraw/zinc/07/24/86/275072486.db2.gz XOWRMMNVTBARAK-YPMHNXCESA-N 1 0 343.387 2.170 20 5 EEBDRO O=c1c(Br)cc([N+](=O)[O-])cn1CCC[NH+]1CCCCC1 ZINC000288745870 275083482 /nfs/dbraw/zinc/08/34/82/275083482.db2.gz XSQYRUMXNWFSIE-UHFFFAOYSA-N 1 0 344.209 2.395 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289987388 275168164 /nfs/dbraw/zinc/16/81/64/275168164.db2.gz YEEZFVGRAXKSRV-YNEHKIRRSA-N 1 0 335.429 2.143 20 5 EEBDRO Cc1c(CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000290731390 275234031 /nfs/dbraw/zinc/23/40/31/275234031.db2.gz XGHPVGDGSNMXLJ-INIZCTEOSA-N 1 0 331.416 2.294 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236608016 277483726 /nfs/dbraw/zinc/48/37/26/277483726.db2.gz WGZBOHWPTNFVJG-CQSZACIVSA-N 1 0 334.420 2.298 20 5 EEBDRO COc1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1O ZINC000449503503 277819694 /nfs/dbraw/zinc/81/96/94/277819694.db2.gz IEKOEFSHRKFBTF-DYVFJYSZSA-N 1 0 336.388 2.196 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000125542175 281838383 /nfs/dbraw/zinc/83/83/83/281838383.db2.gz KUGLULTYZULMTA-AWEZNQCLSA-N 1 0 346.431 2.265 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000282157632 292815436 /nfs/dbraw/zinc/81/54/36/292815436.db2.gz TZRBFPFBSWWNSN-OAHLLOKOSA-N 1 0 333.388 2.133 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296535288 294001778 /nfs/dbraw/zinc/00/17/78/294001778.db2.gz XBOWCJKCSVEFGO-OAHLLOKOSA-N 1 0 349.431 2.097 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[NH+]2CCCC2)c1 ZINC000299218620 294688987 /nfs/dbraw/zinc/68/89/87/294688987.db2.gz KHZBAPHNHGHDSI-UHFFFAOYSA-N 1 0 335.404 2.274 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237926420 295250585 /nfs/dbraw/zinc/25/05/85/295250585.db2.gz RZKQATRIEDINFK-LSDHHAIUSA-N 1 0 346.431 2.442 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121179070 295527898 /nfs/dbraw/zinc/52/78/98/295527898.db2.gz IVCVZRJDXISYGR-CQSZACIVSA-N 1 0 333.388 2.060 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174210506 311426288 /nfs/dbraw/zinc/42/62/88/311426288.db2.gz BTTVIDFKYLMLMU-OAHLLOKOSA-N 1 0 332.404 2.222 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332398730 312001216 /nfs/dbraw/zinc/00/12/16/312001216.db2.gz RBTWGQMIXOUXTK-RHSMWYFYSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640225 312039036 /nfs/dbraw/zinc/03/90/36/312039036.db2.gz QUGIQVJZUNDCAJ-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000334079822 312237107 /nfs/dbraw/zinc/23/71/07/312237107.db2.gz NAULRCRYAAUQEV-JHJVBQTASA-N 1 0 335.404 2.397 20 5 EEBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000414144845 312974846 /nfs/dbraw/zinc/97/48/46/312974846.db2.gz AMNXJWHQOLMEMI-OAHLLOKOSA-N 1 0 349.431 2.127 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414582522 313043557 /nfs/dbraw/zinc/04/35/57/313043557.db2.gz LCOFNQVBRYBUDR-CHWSQXEVSA-N 1 0 346.339 2.385 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415498015 313132603 /nfs/dbraw/zinc/13/26/03/313132603.db2.gz IFZNNMQWGWBGCO-OLZOCXBDSA-N 1 0 348.403 2.457 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415690478 313167680 /nfs/dbraw/zinc/16/76/80/313167680.db2.gz DUSRQNHNHNBFGG-QMMMGPOBSA-N 1 0 345.197 2.334 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(CC(F)F)C2)n1 ZINC000417388405 313500680 /nfs/dbraw/zinc/50/06/80/313500680.db2.gz ONWFDPYNERZTQM-RWMBFGLXSA-N 1 0 343.378 2.204 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417762671 313588337 /nfs/dbraw/zinc/58/83/37/313588337.db2.gz JDNBVGKYWGKHBY-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000417843301 313615956 /nfs/dbraw/zinc/61/59/56/313615956.db2.gz GXZPORUURCBHPX-KOLCDFICSA-N 1 0 330.335 2.246 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418091259 313709830 /nfs/dbraw/zinc/70/98/30/313709830.db2.gz PFONDKBRAKWQIG-NSHDSACASA-N 1 0 346.309 2.117 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432528509 314708993 /nfs/dbraw/zinc/70/89/93/314708993.db2.gz AAJRWLSMBBHDTD-JBLDHEPKSA-N 1 0 341.795 2.130 20 5 EEBDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000433943349 314805888 /nfs/dbraw/zinc/80/58/88/314805888.db2.gz YVRHPCXMSVFLQP-GJZGRUSLSA-N 1 0 334.351 2.477 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435233582 314888843 /nfs/dbraw/zinc/88/88/43/314888843.db2.gz VYWCKHCXAZTVBY-FZMZJTMJSA-N 1 0 335.429 2.428 20 5 EEBDRO Cn1cc(C(=O)NCC[NH2+]C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439506510 315082467 /nfs/dbraw/zinc/08/24/67/315082467.db2.gz DNMXZCKNUMLAGP-UHFFFAOYSA-N 1 0 345.403 2.113 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000458480678 315711477 /nfs/dbraw/zinc/71/14/77/315711477.db2.gz RQHNLJODQAHPHW-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000514678095 316411457 /nfs/dbraw/zinc/41/14/57/316411457.db2.gz OBTPPVJNPMOOKA-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546704955 318262115 /nfs/dbraw/zinc/26/21/15/318262115.db2.gz KUOYEIFIFKDZFM-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000563101052 318971919 /nfs/dbraw/zinc/97/19/19/318971919.db2.gz QTBXKCZGVCFHQG-UHFFFAOYSA-N 1 0 345.403 2.113 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570397930 319662692 /nfs/dbraw/zinc/66/26/92/319662692.db2.gz XIWVGUUFFVDMOH-HNNXBMFYSA-N 1 0 348.447 2.445 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000571890902 319796925 /nfs/dbraw/zinc/79/69/25/319796925.db2.gz DHKMESSHZCISPY-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO CN(C)c1cccnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574805568 320058909 /nfs/dbraw/zinc/05/89/09/320058909.db2.gz ADYNOVDMPCTLGN-UHFFFAOYSA-N 1 0 343.387 2.174 20 5 EEBDRO CSC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000575862876 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C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282419052 464812041 /nfs/dbraw/zinc/81/20/41/464812041.db2.gz QPXAILZVVUWPLX-RISCZKNCSA-N 1 0 344.371 2.049 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000295513648 464865886 /nfs/dbraw/zinc/86/58/86/464865886.db2.gz QBMWLOUSGBKOOT-LBPRGKRZSA-N 1 0 337.424 2.121 20 5 EEBDRO CCOC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000286358495 464889611 /nfs/dbraw/zinc/88/96/11/464889611.db2.gz YCYSSENRTQCTAI-HNNXBMFYSA-N 1 0 335.404 2.135 20 5 EEBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000267034813 464911184 /nfs/dbraw/zinc/91/11/84/464911184.db2.gz LLBCPBQPXLHNAT-UHFFFAOYSA-N 1 0 349.391 2.432 20 5 EEBDRO CC[NH+]1CCN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276538166 464970924 /nfs/dbraw/zinc/97/09/24/464970924.db2.gz CREUWSYZGBRTNQ-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000282864390 464979376 /nfs/dbraw/zinc/97/93/76/464979376.db2.gz VRFSYHWZSUPVFL-HNNXBMFYSA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000253356125 464993834 /nfs/dbraw/zinc/99/38/34/464993834.db2.gz WRROFCOQLWECTK-ZOWXZIJZSA-N 1 0 331.372 2.205 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc([N+](=O)[O-])c1 ZINC000593912428 468430758 /nfs/dbraw/zinc/43/07/58/468430758.db2.gz NNZZGXDNQLFLNM-QRTARXTBSA-N 1 0 347.415 2.262 20 5 EEBDRO CCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ncc[nH]1 ZINC000348366821 465568536 /nfs/dbraw/zinc/56/85/36/465568536.db2.gz IYVYFCHDGNTBHI-MRXNPFEDSA-N 1 0 329.404 2.239 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000356855790 465580351 /nfs/dbraw/zinc/58/03/51/465580351.db2.gz KQMLXJFHQFPOFI-LBPRGKRZSA-N 1 0 345.346 2.353 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591304177 468444023 /nfs/dbraw/zinc/44/40/23/468444023.db2.gz RFZYIGWKRQJYEA-BXUZGUMPSA-N 1 0 334.376 2.209 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000554842624 468445297 /nfs/dbraw/zinc/44/52/97/468445297.db2.gz LCTJSKHHNUSJKC-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361064257 465740912 /nfs/dbraw/zinc/74/09/12/465740912.db2.gz BQSLFIOXFLGCBW-FZMZJTMJSA-N 1 0 332.404 2.382 20 5 EEBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000361093685 465760602 /nfs/dbraw/zinc/76/06/02/465760602.db2.gz BSQDLDJTSPOQKG-HOCLYGCPSA-N 1 0 344.415 2.287 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340169487 465839481 /nfs/dbraw/zinc/83/94/81/465839481.db2.gz RDUCUYRQJSLABJ-UHFFFAOYSA-N 1 0 332.404 2.419 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357192096 465843999 /nfs/dbraw/zinc/84/39/99/465843999.db2.gz VFTOPROLPABGQA-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299663274 465848480 /nfs/dbraw/zinc/84/84/80/465848480.db2.gz WKNGUWXGHGNHMQ-ZDUSSCGKSA-N 1 0 339.440 2.117 20 5 EEBDRO C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C[NH+](C)C ZINC000345643263 465888363 /nfs/dbraw/zinc/88/83/63/465888363.db2.gz RCVSQOSTSHAZPK-LLVKDONJSA-N 1 0 333.392 3.033 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340230938 465902669 /nfs/dbraw/zinc/90/26/69/465902669.db2.gz LOOWBVRMULBEDD-UHFFFAOYSA-N 1 0 340.445 2.330 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000580066090 468460733 /nfs/dbraw/zinc/46/07/33/468460733.db2.gz LBRZVWVVZOJTQV-WCQYABFASA-N 1 0 337.401 2.184 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000353498047 465931608 /nfs/dbraw/zinc/93/16/08/465931608.db2.gz RDIBCNSIHPHDEO-RHSMWYFYSA-N 1 0 341.415 2.244 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000349061805 465945527 /nfs/dbraw/zinc/94/55/27/465945527.db2.gz KHPSXOAVQGAKBK-GOSISDBHSA-N 1 0 334.464 2.443 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340298135 465966432 /nfs/dbraw/zinc/96/64/32/465966432.db2.gz NRBFPCANCDWZDE-UHFFFAOYSA-N 1 0 336.436 2.367 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346181860 465968533 /nfs/dbraw/zinc/96/85/33/465968533.db2.gz BWZGCKUQZFFGSZ-OUCADQQQSA-N 1 0 349.435 2.073 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346244057 466023131 /nfs/dbraw/zinc/02/31/31/466023131.db2.gz ULTBTOXDPACRSE-DVOMOZLQSA-N 1 0 347.415 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)nc1OCc1ccccc1 ZINC000591424152 468466840 /nfs/dbraw/zinc/46/68/40/468466840.db2.gz KGKZLXLENTULDK-UHFFFAOYSA-N 1 0 342.399 2.980 20 5 EEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000302468948 466142189 /nfs/dbraw/zinc/14/21/89/466142189.db2.gz TWFYNDSTHIFBPH-SFHVURJKSA-N 1 0 342.399 2.063 20 5 EEBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000361653449 466179754 /nfs/dbraw/zinc/17/97/54/466179754.db2.gz IBEJPKNJNZTWNH-GXSJLCMTSA-N 1 0 346.330 2.265 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331768758 466238367 /nfs/dbraw/zinc/23/83/67/466238367.db2.gz JHXZIHKTYMSCFV-LBPRGKRZSA-N 1 0 344.371 2.015 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000349786223 466240574 /nfs/dbraw/zinc/24/05/74/466240574.db2.gz XFYRTHUDRRABQK-GFCCVEGCSA-N 1 0 343.449 2.219 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000357857826 466267559 /nfs/dbraw/zinc/26/75/59/466267559.db2.gz GNEJKVOUQIHGHE-ABAIWWIYSA-N 1 0 331.376 2.048 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353959582 466282342 /nfs/dbraw/zinc/28/23/42/466282342.db2.gz KNIWLOBYSHEZFC-MNOVXSKESA-N 1 0 343.811 2.472 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577699 468485936 /nfs/dbraw/zinc/48/59/36/468485936.db2.gz BBABGGYSYCGKDM-GOEBONIOSA-N 1 0 329.404 2.149 20 5 EEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332072258 466372581 /nfs/dbraw/zinc/37/25/81/466372581.db2.gz XDQQPVQZAXSCON-GJZGRUSLSA-N 1 0 339.342 2.159 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000332123402 466399792 /nfs/dbraw/zinc/39/97/92/466399792.db2.gz ZNMYXJRZBITAIQ-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[NH+](C)C)CC1 ZINC000354377451 466518889 /nfs/dbraw/zinc/51/88/89/466518889.db2.gz CAVJZFREBYMMEQ-CYBMUJFWSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362080235 466539740 /nfs/dbraw/zinc/53/97/40/466539740.db2.gz RJXKBXDMBGOKQG-QAPCUYQASA-N 1 0 332.448 2.053 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000423220214 466698730 /nfs/dbraw/zinc/69/87/30/466698730.db2.gz VBOFYUDILSUSSD-BBRMVZONSA-N 1 0 336.436 2.441 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365363258 466792567 /nfs/dbraw/zinc/79/25/67/466792567.db2.gz YIYAZPKWWJEORE-YWPYICTPSA-N 1 0 335.429 2.286 20 5 EEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829363 466864384 /nfs/dbraw/zinc/86/43/84/466864384.db2.gz RVWAGZRTZJVTQN-HNNXBMFYSA-N 1 0 349.435 2.253 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000417980584 467009731 /nfs/dbraw/zinc/00/97/31/467009731.db2.gz BGSHZDYKWGSNAY-MFKMUULPSA-N 1 0 340.811 2.230 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986857 467011652 /nfs/dbraw/zinc/01/16/52/467011652.db2.gz IPMLDJKQNKDUEJ-GHMZBOCLSA-N 1 0 340.811 2.169 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418733151 467152138 /nfs/dbraw/zinc/15/21/38/467152138.db2.gz UZEIQKQYXMOSBV-OCCSQVGLSA-N 1 0 348.403 2.016 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNCc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000432360624 467233814 /nfs/dbraw/zinc/23/38/14/467233814.db2.gz AWNMQLXWOSMYGN-CYBMUJFWSA-N 1 0 325.384 2.324 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000429127492 467302933 /nfs/dbraw/zinc/30/29/33/467302933.db2.gz CCHRLGBKEMFPED-GFCCVEGCSA-N 1 0 334.401 2.431 20 5 EEBDRO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000452083855 467316056 /nfs/dbraw/zinc/31/60/56/467316056.db2.gz HMBDTFORNQGCJK-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000420461344 467415182 /nfs/dbraw/zinc/41/51/82/467415182.db2.gz GJGNRHXFEQROAH-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405355650 467480806 /nfs/dbraw/zinc/48/08/06/467480806.db2.gz QSXRGQBMYWEQSS-BXUZGUMPSA-N 1 0 341.433 2.041 20 5 EEBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616197 467480931 /nfs/dbraw/zinc/48/09/31/467480931.db2.gz JPRPLPCKOQWYHM-CQSZACIVSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202121 467623281 /nfs/dbraw/zinc/62/32/81/467623281.db2.gz FGOLDRCKESFIHW-HZPDHXFCSA-N 1 0 331.416 2.376 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000449243296 467625270 /nfs/dbraw/zinc/62/52/70/467625270.db2.gz JSCAKWCCGJILJN-SJKOYZFVSA-N 1 0 338.404 2.208 20 5 EEBDRO CC[NH+]1CCN(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450244167 467806992 /nfs/dbraw/zinc/80/69/92/467806992.db2.gz UGRHZOBITGCQPU-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CCc1cc(NC[C@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450819455 467913621 /nfs/dbraw/zinc/91/36/21/467913621.db2.gz LELCOKOUNREPDX-LBPRGKRZSA-N 1 0 329.404 2.398 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000516139215 468014647 /nfs/dbraw/zinc/01/46/47/468014647.db2.gz YMIGORWWVDBAED-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000530913021 468017504 /nfs/dbraw/zinc/01/75/04/468017504.db2.gz RWLYLMDJZQRBKF-UONOGXRCSA-N 1 0 335.404 2.135 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000531811217 468076910 /nfs/dbraw/zinc/07/69/10/468076910.db2.gz SLJAWKOZZGRMAZ-UHFFFAOYSA-N 1 0 332.381 2.214 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000517366767 468083003 /nfs/dbraw/zinc/08/30/03/468083003.db2.gz ARSCLNONQBHOLC-CYBMUJFWSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000517732885 468095136 /nfs/dbraw/zinc/09/51/36/468095136.db2.gz RDQHWOAOPBLSJI-ZFWWWQNUSA-N 1 0 332.404 2.140 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000532542109 468123836 /nfs/dbraw/zinc/12/38/36/468123836.db2.gz DYNXCDAKMZEUNI-SMDDNHRTSA-N 1 0 343.387 2.182 20 5 EEBDRO Cc1cc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000590390358 468244336 /nfs/dbraw/zinc/24/43/36/468244336.db2.gz YQQUYAHRHOQQGN-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000591749452 468513978 /nfs/dbraw/zinc/51/39/78/468513978.db2.gz QNIOGTMSJBGMPW-CYBMUJFWSA-N 1 0 349.412 2.157 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597441257 468556981 /nfs/dbraw/zinc/55/69/81/468556981.db2.gz QOPVFRMDTQEXFG-MRXNPFEDSA-N 1 0 346.431 2.359 20 5 EEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000570228520 468608391 /nfs/dbraw/zinc/60/83/91/468608391.db2.gz NSEWKXGFMVBTJF-OAHLLOKOSA-N 1 0 345.403 2.204 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000594496373 468609468 /nfs/dbraw/zinc/60/94/68/468609468.db2.gz LTPQEMHJKRCVTQ-KRWDZBQOSA-N 1 0 333.432 2.370 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600714990 468629802 /nfs/dbraw/zinc/62/98/02/468629802.db2.gz QKWKTHWPMXDOQB-CQSZACIVSA-N 1 0 331.376 2.075 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000592470754 468705972 /nfs/dbraw/zinc/70/59/72/468705972.db2.gz LTOQBEYCXYKCME-SFHVURJKSA-N 1 0 346.431 2.055 20 5 EEBDRO CC[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000592488756 468710036 /nfs/dbraw/zinc/71/00/36/468710036.db2.gz NFHPAGTVOSLCFD-SMDDNHRTSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000583580097 468719072 /nfs/dbraw/zinc/71/90/72/468719072.db2.gz ZSKMWYHQQKGQCP-HNNXBMFYSA-N 1 0 346.383 2.175 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569040 468732017 /nfs/dbraw/zinc/73/20/17/468732017.db2.gz WRNCUIPFNQZHMJ-ZDUSSCGKSA-N 1 0 332.404 2.188 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595023849 468745021 /nfs/dbraw/zinc/74/50/21/468745021.db2.gz YYWZGXYMAGBXEE-NEPJUHHUSA-N 1 0 336.392 2.058 20 5 EEBDRO CCOCC[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601113676 468745558 /nfs/dbraw/zinc/74/55/58/468745558.db2.gz IKWBHFADWRBLOI-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000595041354 468747786 /nfs/dbraw/zinc/74/77/86/468747786.db2.gz KLFFUSKTASNWMX-ZFWWWQNUSA-N 1 0 337.420 2.101 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000595043256 468747836 /nfs/dbraw/zinc/74/78/36/468747836.db2.gz VOQZWXVPPLSEDJ-ZIAGYGMSSA-N 1 0 337.420 2.101 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)CC1CC1 ZINC000595093305 468756864 /nfs/dbraw/zinc/75/68/64/468756864.db2.gz ZFSMAQVRMLGMLP-GXTWGEPZSA-N 1 0 335.404 2.310 20 5 EEBDRO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CC(C)(C)O ZINC000601151256 468762666 /nfs/dbraw/zinc/76/26/66/468762666.db2.gz UUNHYMFILLMOLX-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000601177216 468771706 /nfs/dbraw/zinc/77/17/06/468771706.db2.gz QWHQSWXMJNQTOD-INIZCTEOSA-N 1 0 332.404 2.010 20 5 EEBDRO CCCc1nc(C)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000584287246 468837237 /nfs/dbraw/zinc/83/72/37/468837237.db2.gz ZGKSSBUQVGKVJL-ZDUSSCGKSA-N 1 0 349.387 2.373 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000598343874 468838051 /nfs/dbraw/zinc/83/80/51/468838051.db2.gz XDVPUYRBLFYLNA-GFCCVEGCSA-N 1 0 328.372 2.357 20 5 EEBDRO CNc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000598537622 468905080 /nfs/dbraw/zinc/90/50/80/468905080.db2.gz KDGTYRDZISTRJL-UHFFFAOYSA-N 1 0 346.431 2.488 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C1CCCC1 ZINC000584869211 468952051 /nfs/dbraw/zinc/95/20/51/468952051.db2.gz WOTBCSTYBDZFHE-MLGOLLRUSA-N 1 0 335.404 2.453 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682808 468957594 /nfs/dbraw/zinc/95/75/94/468957594.db2.gz PAZBUTKEEPBUIM-DCGLDWPTSA-N 1 0 332.404 2.043 20 5 EEBDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595699922 468960231 /nfs/dbraw/zinc/96/02/31/468960231.db2.gz PLKLALRKCSSVHV-CZUORRHYSA-N 1 0 335.404 2.041 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716543 468972031 /nfs/dbraw/zinc/97/20/31/468972031.db2.gz MEDIPDJFZHROLV-CHWSQXEVSA-N 1 0 341.433 2.102 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000610489163 468982518 /nfs/dbraw/zinc/98/25/18/468982518.db2.gz IBFVOCDFBHMWCM-ZDUSSCGKSA-N 1 0 340.811 2.334 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2=CCCOC2)c([N+](=O)[O-])c1 ZINC000595751876 468987852 /nfs/dbraw/zinc/98/78/52/468987852.db2.gz JOUADZKXYPHBJU-UHFFFAOYSA-N 1 0 349.387 2.211 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000593463685 468991624 /nfs/dbraw/zinc/99/16/24/468991624.db2.gz CFIPUWMVOWKLRC-AWEZNQCLSA-N 1 0 325.384 2.369 20 5 EEBDRO CC1(C)CCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602676595 469005034 /nfs/dbraw/zinc/00/50/34/469005034.db2.gz TZBWBQXDDDFNDL-GOSISDBHSA-N 1 0 348.447 2.489 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)O1 ZINC000602690485 469013530 /nfs/dbraw/zinc/01/35/30/469013530.db2.gz NOSCSIBAAVMJSR-RDBSUJKOSA-N 1 0 334.420 2.362 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]1(C)CO ZINC000595872623 469056108 /nfs/dbraw/zinc/05/61/08/469056108.db2.gz KEQKEQWTTMBMCF-BDJLRTHQSA-N 1 0 332.360 2.095 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000595963083 469098750 /nfs/dbraw/zinc/09/87/50/469098750.db2.gz ZIOJMXSTOIWREQ-UHFFFAOYSA-N 1 0 344.209 2.096 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000599072993 469107992 /nfs/dbraw/zinc/10/79/92/469107992.db2.gz NMTRTCZFMYZKOB-NILFDRSVSA-N 1 0 341.433 2.106 20 5 EEBDRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000573519046 469151336 /nfs/dbraw/zinc/15/13/36/469151336.db2.gz IKZGMUATOMSWRB-KGLIPLIRSA-N 1 0 349.431 2.002 20 5 EEBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000611197508 469190014 /nfs/dbraw/zinc/19/00/14/469190014.db2.gz JHENTNUVYIQZBX-UHFFFAOYSA-N 1 0 345.355 2.397 20 5 EEBDRO CSc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000596247657 469220493 /nfs/dbraw/zinc/22/04/93/469220493.db2.gz KNRBSJAYVDJBHF-CQSZACIVSA-N 1 0 347.444 3.009 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(CO)CCCCC1 ZINC000611462840 469254592 /nfs/dbraw/zinc/25/45/92/469254592.db2.gz DPQUVBKBTMYAFA-UHFFFAOYSA-N 1 0 349.387 2.178 20 5 EEBDRO NC(=O)c1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558208 469300550 /nfs/dbraw/zinc/30/05/50/469300550.db2.gz OZQKWGMSXOKSKX-HNNXBMFYSA-N 1 0 340.383 2.380 20 5 EEBDRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596626206 469315403 /nfs/dbraw/zinc/31/54/03/469315403.db2.gz HWNCLOINLJHCAV-OAHLLOKOSA-N 1 0 348.403 2.278 20 5 EEBDRO CCOc1cc(Cn2cc(C3CC[NH2+]CC3)nn2)ccc1[N+](=O)[O-] ZINC000603237107 469319067 /nfs/dbraw/zinc/31/90/67/469319067.db2.gz KMRUNSLTSBBEOL-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879465 469333413 /nfs/dbraw/zinc/33/34/13/469333413.db2.gz GVJNPJIDYPEBNP-QGZVFWFLSA-N 1 0 345.399 2.059 20 5 EEBDRO CC1(C)CC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000596702880 469338610 /nfs/dbraw/zinc/33/86/10/469338610.db2.gz BETCABZWAPTAPB-UHFFFAOYSA-N 1 0 334.420 2.432 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)cn1 ZINC000602514030 469345200 /nfs/dbraw/zinc/34/52/00/469345200.db2.gz KJOZIPGJORJQMV-IRXDYDNUSA-N 1 0 345.447 2.175 20 5 EEBDRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939749 469348297 /nfs/dbraw/zinc/34/82/97/469348297.db2.gz NORAGUHWHUCOKT-DZGCQCFKSA-N 1 0 331.372 2.389 20 5 EEBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000602568234 469363493 /nfs/dbraw/zinc/36/34/93/469363493.db2.gz KAAFKHWMUMEEFJ-ZFWWWQNUSA-N 1 0 345.447 2.173 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3-n3cncn3)nc2c1 ZINC000618618729 469403825 /nfs/dbraw/zinc/40/38/25/469403825.db2.gz YKZDOLMZQLNLGH-UHFFFAOYSA-N 1 0 349.354 2.342 20 5 EEBDRO COc1ccc(C)cc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603557387 469411731 /nfs/dbraw/zinc/41/17/31/469411731.db2.gz KAGMWVRIICQDBX-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000617867839 469827518 /nfs/dbraw/zinc/82/75/18/469827518.db2.gz LXSCKRCYIAFUAW-CQSZACIVSA-N 1 0 335.404 2.282 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000609848415 469965666 /nfs/dbraw/zinc/96/56/66/469965666.db2.gz HQFLIOPYTACBMP-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000174529656 533884791 /nfs/dbraw/zinc/88/47/91/533884791.db2.gz WJIJREXTAFGLHA-INIZCTEOSA-N 1 0 336.344 2.202 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000154462050 534571359 /nfs/dbraw/zinc/57/13/59/534571359.db2.gz CKKGQMMZOFAVOC-ZDUSSCGKSA-N 1 0 335.408 2.092 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184120582 534886247 /nfs/dbraw/zinc/88/62/47/534886247.db2.gz LJWLOIYYWFSTGF-UHFFFAOYSA-N 1 0 336.388 2.103 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000174843967 534889183 /nfs/dbraw/zinc/88/91/83/534889183.db2.gz MLWDTZHBFDQPKJ-OAHLLOKOSA-N 1 0 344.371 2.400 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000174167504 528257086 /nfs/dbraw/zinc/25/70/86/528257086.db2.gz XZARPRDEHMFJOO-GFCCVEGCSA-N 1 0 331.376 2.027 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000423717164 535426299 /nfs/dbraw/zinc/42/62/99/535426299.db2.gz JTVBNPJVJQTCNW-KGLIPLIRSA-N 1 0 347.415 2.455 20 5 EEBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940569 535809107 /nfs/dbraw/zinc/80/91/07/535809107.db2.gz IDDMRMSVKKJZTR-SJORKVTESA-N 1 0 347.415 2.199 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456302636 536139491 /nfs/dbraw/zinc/13/94/91/536139491.db2.gz GSBGJHHNSQBFMC-ZDUSSCGKSA-N 1 0 329.360 2.130 20 5 EEBDRO Cn1nccc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279107 577456625 /nfs/dbraw/zinc/45/66/25/577456625.db2.gz XHSMUGWAECVNDF-PBHICJAKSA-N 1 0 330.388 2.241 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586008 577463340 /nfs/dbraw/zinc/46/33/40/577463340.db2.gz HHZZFHXWDGDWMU-GJZGRUSLSA-N 1 0 336.388 2.434 20 5 EEBDRO COCCOC[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765042312 577493425 /nfs/dbraw/zinc/49/34/25/577493425.db2.gz VZHCRNNNVLEJDR-AWEZNQCLSA-N 1 0 348.403 2.195 20 5 EEBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105881 577495034 /nfs/dbraw/zinc/49/50/34/577495034.db2.gz LSHRQSFKHGXEPI-CZUORRHYSA-N 1 0 344.419 2.022 20 5 EEBDRO C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000760469125 577663416 /nfs/dbraw/zinc/66/34/16/577663416.db2.gz ZLDQXFURWBNEEU-GFCCVEGCSA-N 1 0 336.461 2.462 20 5 EEBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000761074512 577675672 /nfs/dbraw/zinc/67/56/72/577675672.db2.gz BYUDUAHFLKJSRU-JTQLQIEISA-N 1 0 345.346 2.341 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1C ZINC000754079691 577799847 /nfs/dbraw/zinc/79/98/47/577799847.db2.gz KIKDUKJFFXEZRC-GFCCVEGCSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000754704121 577811131 /nfs/dbraw/zinc/81/11/31/577811131.db2.gz LGIOSHYQAKTZPH-ZYHUDNBSSA-N 1 0 347.400 2.113 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000736101951 578179832 /nfs/dbraw/zinc/17/98/32/578179832.db2.gz OBMQEENOADDYLS-GFCCVEGCSA-N 1 0 339.367 2.103 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1C ZINC001021826899 676509958 /nfs/dbraw/zinc/50/99/58/676509958.db2.gz BIIPHYDOWNXKDZ-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001021930845 676551848 /nfs/dbraw/zinc/55/18/48/676551848.db2.gz LVAVEMPXCRMHHB-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO C[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165815717 676702345 /nfs/dbraw/zinc/70/23/45/676702345.db2.gz BJAYZLJXMWWDGH-VIFPVBQESA-N 1 0 329.198 2.249 20 5 EEBDRO O=C(Cc1cncs1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022240436 676758471 /nfs/dbraw/zinc/75/84/71/676758471.db2.gz ZCTHUHIYNTUHLC-BETUJISGSA-N 1 0 346.412 2.031 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891667370 676762677 /nfs/dbraw/zinc/76/26/77/676762677.db2.gz CQPLHPVPVMLOHP-KGLIPLIRSA-N 1 0 338.795 2.284 20 5 EEBDRO CC/C=C\CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934040803 677766698 /nfs/dbraw/zinc/76/66/98/677766698.db2.gz QBDFRINJSJTBCE-PLNGDYQASA-N 1 0 347.419 2.434 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000158571504 678469057 /nfs/dbraw/zinc/46/90/57/678469057.db2.gz OWXHPRVVSMNEJB-NSHDSACASA-N 1 0 332.385 2.282 20 5 EEBDRO COc1c(O)ccc(C[NH2+]CCCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000892553135 681758592 /nfs/dbraw/zinc/75/85/92/681758592.db2.gz ISXHNRDOGYUZIF-UHFFFAOYSA-N 1 0 338.282 2.368 20 5 EEBDRO Cn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000983465632 682702376 /nfs/dbraw/zinc/70/23/76/682702376.db2.gz PALKSFKCZJDEEB-SAZUREKKSA-N 1 0 342.399 2.232 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000894430320 682892644 /nfs/dbraw/zinc/89/26/44/682892644.db2.gz UKGVCFFTTQOBIS-NWDGAFQWSA-N 1 0 348.790 2.052 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001059819604 689932313 /nfs/dbraw/zinc/93/23/13/689932313.db2.gz KWEULMXVLGJLLS-GASCZTMLSA-N 1 0 346.431 2.386 20 5 EEBDRO CC(C)(C)CC[C@@H]([NH3+])CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000904369024 694375180 /nfs/dbraw/zinc/37/51/80/694375180.db2.gz QDAFJHGXHOIRGP-CQSZACIVSA-N 1 0 335.452 2.265 20 5 EEBDRO COc1cc(C[NH2+]Cc2ccc(CCO)cc2)c([N+](=O)[O-])cc1OC ZINC000898172610 691890281 /nfs/dbraw/zinc/89/02/81/691890281.db2.gz RJWDKXUEUBTDTN-UHFFFAOYSA-N 1 0 346.383 2.437 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(CCO)cc1)OCCO2 ZINC000898172752 691890419 /nfs/dbraw/zinc/89/04/19/691890419.db2.gz XUNSDMICQRKLQH-UHFFFAOYSA-N 1 0 344.367 2.191 20 5 EEBDRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000328108366 1178934195 /nfs/dbraw/zinc/93/41/95/1178934195.db2.gz UASXOBWWBRLXQS-OAHLLOKOSA-N 1 0 338.367 2.262 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001105459994 1187411905 /nfs/dbraw/zinc/41/19/05/1187411905.db2.gz OOAVXBGOJGVRPO-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCc3ccccc32)c1 ZINC000905577081 1189792964 /nfs/dbraw/zinc/79/29/64/1189792964.db2.gz UXUUZWRZWBNYJR-SFHVURJKSA-N 1 0 327.384 2.281 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)CC1 ZINC000865642409 1198311613 /nfs/dbraw/zinc/31/16/13/1198311613.db2.gz VXMSRINCHYLBNX-ZDUSSCGKSA-N 1 0 337.395 2.394 20 5 EEBDRO Cc1nc(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001134702972 1199760395 /nfs/dbraw/zinc/76/03/95/1199760395.db2.gz DHNSPGNKBVIQAQ-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825926154 1199838955 /nfs/dbraw/zinc/83/89/55/1199838955.db2.gz ZWBXOUOQQKLNOJ-AWEZNQCLSA-N 1 0 335.404 2.088 20 5 EEBDRO Cn1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1=O ZINC001170625439 1199877226 /nfs/dbraw/zinc/87/72/26/1199877226.db2.gz WQFLLCMFVXOUAQ-UHFFFAOYSA-N 1 0 346.431 2.027 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000877345762 1199909650 /nfs/dbraw/zinc/90/96/50/1199909650.db2.gz BITRMOOXBDTCEC-MRXNPFEDSA-N 1 0 325.368 2.348 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000878596811 1200563365 /nfs/dbraw/zinc/56/33/65/1200563365.db2.gz HQXICJFASXGHIR-DLBZAZTESA-N 1 0 332.404 2.448 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]2C1 ZINC000812337245 1200668973 /nfs/dbraw/zinc/66/89/73/1200668973.db2.gz DIJLOTNRUGLUQA-OLZOCXBDSA-N 1 0 328.372 2.100 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000870869210 1200921521 /nfs/dbraw/zinc/92/15/21/1200921521.db2.gz GBGZHQFWMDJJGA-UGSOOPFHSA-N 1 0 325.368 2.225 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCC(O)CC1 ZINC000866243933 1201474745 /nfs/dbraw/zinc/47/47/45/1201474745.db2.gz JLJRIZRFTMBKMR-CYBMUJFWSA-N 1 0 339.411 2.101 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000866346912 1201497828 /nfs/dbraw/zinc/49/78/28/1201497828.db2.gz DQMGRNMCCVLYIZ-CYBMUJFWSA-N 1 0 337.395 2.119 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866590065 1201555694 /nfs/dbraw/zinc/55/56/94/1201555694.db2.gz OXTKWUFYGWNLLI-OAHLLOKOSA-N 1 0 332.448 2.368 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000881468873 1201704877 /nfs/dbraw/zinc/70/48/77/1201704877.db2.gz HBIFWSAXGQXPJN-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882725884 1201929064 /nfs/dbraw/zinc/92/90/64/1201929064.db2.gz DHUGXPBZJBNGAD-INIZCTEOSA-N 1 0 349.431 2.479 20 5 EEBDRO CC[NH+](CC)CCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000800118335 1202209720 /nfs/dbraw/zinc/20/97/20/1202209720.db2.gz OCCPUVUCSMASQS-UHFFFAOYSA-N 1 0 338.360 2.255 20 5 EEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000884353668 1202299856 /nfs/dbraw/zinc/29/98/56/1202299856.db2.gz DDZSXSWPWVYEQN-QWRGUYRKSA-N 1 0 342.193 2.213 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000885966815 1202460381 /nfs/dbraw/zinc/46/03/81/1202460381.db2.gz DTJKKEUETMNYFD-LZWOXQAQSA-N 1 0 334.420 2.063 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001095378297 1204515593 /nfs/dbraw/zinc/51/55/93/1204515593.db2.gz VDDLTVOAUONDQV-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO C[N@H+](CC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001095449864 1205769236 /nfs/dbraw/zinc/76/92/36/1205769236.db2.gz RNJJEKSMHACILY-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO COc1ccc(OCCN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c([N+](=O)[O-])c1 ZINC000931724578 1207449465 /nfs/dbraw/zinc/44/94/65/1207449465.db2.gz JPFXVMWCRXBJMS-KGLIPLIRSA-N 1 0 335.404 2.151 20 5 EEBDRO O=C1OCCN1[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827001068 1249073150 /nfs/dbraw/zinc/07/31/50/1249073150.db2.gz RYKBZKAEFVTOHS-NSHDSACASA-N 1 0 325.752 2.275 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC000900281094 1234153057 /nfs/dbraw/zinc/15/30/57/1234153057.db2.gz FZPAVGSWXVASMI-LBPRGKRZSA-N 1 0 329.759 2.457 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)c2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000900964883 1235053985 /nfs/dbraw/zinc/05/39/85/1235053985.db2.gz BDSQRQXGYIPMLJ-CYBMUJFWSA-N 1 0 345.403 2.152 20 5 EEBDRO O=C(C(F)F)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050401242 1243516305 /nfs/dbraw/zinc/51/63/05/1243516305.db2.gz YFQXRFTZUKZUDT-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097184586 1243797287 /nfs/dbraw/zinc/79/72/87/1243797287.db2.gz HIQSATHIFBNSCL-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097203470 1243818502 /nfs/dbraw/zinc/81/85/02/1243818502.db2.gz LOQZFUVKXZICFS-BETUJISGSA-N 1 0 338.383 2.135 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827497068 1248228977 /nfs/dbraw/zinc/22/89/77/1248228977.db2.gz SFQGZKNTNHVBBA-QWHCGFSZSA-N 1 0 328.372 2.418 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000701116238 1276960181 /nfs/dbraw/zinc/96/01/81/1276960181.db2.gz LSMWSNABYSMJKQ-SNVBAGLBSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853127796 1292291168 /nfs/dbraw/zinc/29/11/68/1292291168.db2.gz UNDWOFJASBFEDX-BVGQSLNGSA-N 1 0 330.384 2.382 20 5 EEBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000114508351 1293591149 /nfs/dbraw/zinc/59/11/49/1293591149.db2.gz DOJABHNOSKHIRC-QGZVFWFLSA-N 1 0 332.356 2.306 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000861628248 1295482020 /nfs/dbraw/zinc/48/20/20/1295482020.db2.gz MATAUIKXLAIGDX-QMMMGPOBSA-N 1 0 334.298 2.102 20 5 EEBDRO CC(=O)N(C)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000863574065 1296340531 /nfs/dbraw/zinc/34/05/31/1296340531.db2.gz VTPLTYYRWKERRP-SFHVURJKSA-N 1 0 343.383 2.401 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC3(C2)OCCO3)n1 ZINC000927001910 1296985858 /nfs/dbraw/zinc/98/58/58/1296985858.db2.gz QLZHCQZSWZGYDI-KGLIPLIRSA-N 1 0 336.392 2.018 20 5 EEBDRO O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218284161 1297621832 /nfs/dbraw/zinc/62/18/32/1297621832.db2.gz VPUQIUJMZVTYLS-SNVBAGLBSA-N 1 0 348.384 2.434 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3F)C[C@H]1[N@@H+]2C ZINC001225941939 1301207974 /nfs/dbraw/zinc/20/79/74/1301207974.db2.gz LDBAOSHKTNTMCQ-GMZLATJGSA-N 1 0 338.335 2.280 20 5 EEBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C(F)(F)F ZINC001227898650 1302001440 /nfs/dbraw/zinc/00/14/40/1302001440.db2.gz IDIXGGHPIJJDBP-SNVBAGLBSA-N 1 0 336.330 2.077 20 5 EEBDRO COCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 ZINC001228675989 1302374907 /nfs/dbraw/zinc/37/49/07/1302374907.db2.gz TZEVOXZWSSMTPB-UHFFFAOYSA-N 1 0 334.376 2.269 20 5 EEBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n(-c2ccc(C)c(C)c2)n1 ZINC001229332900 1302733145 /nfs/dbraw/zinc/73/31/45/1302733145.db2.gz DBHZGBRWHMMCDA-QGZVFWFLSA-N 1 0 346.451 2.160 20 5 EEBDRO O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1)C12CC[NH+](CC1)C2 ZINC001111824787 1303949045 /nfs/dbraw/zinc/94/90/45/1303949045.db2.gz XRQRPVXFPYOOCT-UHFFFAOYSA-N 1 0 344.415 2.141 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264811 1310249295 /nfs/dbraw/zinc/24/92/95/1310249295.db2.gz WWWRSYFUPFURJS-WOPDTQHZSA-N 1 0 332.404 2.380 20 5 EEBDRO N[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1F ZINC001246582135 1310349425 /nfs/dbraw/zinc/34/94/25/1310349425.db2.gz FXFCYIXHRLNEAB-SJORKVTESA-N 1 0 336.411 2.325 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246936542 1310471320 /nfs/dbraw/zinc/47/13/20/1310471320.db2.gz DZJSYQCVAGNHKZ-NWDGAFQWSA-N 1 0 325.384 2.357 20 5 EEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)CC1 ZINC000839627678 1315222532 /nfs/dbraw/zinc/22/25/32/1315222532.db2.gz MBKNRAGPTMQZNY-IAGOWNOFSA-N 1 0 331.416 2.200 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000841753879 1315608899 /nfs/dbraw/zinc/60/88/99/1315608899.db2.gz FXVJBLZHACLXKO-SJORKVTESA-N 1 0 330.388 2.419 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000842478559 1315713405 /nfs/dbraw/zinc/71/34/05/1315713405.db2.gz KUZXCIWKBYXMAY-QWRGUYRKSA-N 1 0 340.811 2.103 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@H](C)C[NH2+]C)no2)cc([N+](=O)[O-])c1 ZINC000842582439 1315725963 /nfs/dbraw/zinc/72/59/63/1315725963.db2.gz ZILOTYLUSSMGRX-SECBINFHSA-N 1 0 334.332 2.144 20 5 EEBDRO O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000842638541 1315740938 /nfs/dbraw/zinc/74/09/38/1315740938.db2.gz LRWBPWMVOZUFCN-GWCFXTLKSA-N 1 0 329.316 2.268 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2)c1 ZINC000843068843 1315834101 /nfs/dbraw/zinc/83/41/01/1315834101.db2.gz NFGHHOXHZMFZSN-QAPCUYQASA-N 1 0 330.384 2.069 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000843093285 1315840350 /nfs/dbraw/zinc/84/03/50/1315840350.db2.gz FZEUNEDYZQAREU-WMLDXEAASA-N 1 0 334.347 2.133 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)Cc1ccccc1 ZINC000843101817 1315841934 /nfs/dbraw/zinc/84/19/34/1315841934.db2.gz OUBPGSWGJWBHDI-KKXDTOCCSA-N 1 0 330.384 2.210 20 5 EEBDRO CN1CC[NH+](CCC(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001143232703 1315896831 /nfs/dbraw/zinc/89/68/31/1315896831.db2.gz MCRYXOABETWMJB-UHFFFAOYSA-N 1 0 349.438 2.359 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)C[NH3+] ZINC000843354873 1315897872 /nfs/dbraw/zinc/89/78/72/1315897872.db2.gz ITOJQNIPAYNLEK-JTQLQIEISA-N 1 0 342.827 2.492 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000843470867 1315919764 /nfs/dbraw/zinc/91/97/64/1315919764.db2.gz FWWVEIFTHCXJKU-CZUORRHYSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000843477734 1315920644 /nfs/dbraw/zinc/92/06/44/1315920644.db2.gz UKHVPDJFKTZOCH-LBPRGKRZSA-N 1 0 336.348 2.155 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843508019 1315925906 /nfs/dbraw/zinc/92/59/06/1315925906.db2.gz OXZMFHXIAPKQBG-NKWVEPMBSA-N 1 0 348.172 2.352 20 5 EEBDRO O=C(CCOc1ccccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150923321 1316410516 /nfs/dbraw/zinc/41/05/16/1316410516.db2.gz UCJNVPXIVHWQBA-UHFFFAOYSA-N 1 0 343.383 2.270 20 5 EEBDRO CC(C)n1cccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151222741 1316480463 /nfs/dbraw/zinc/48/04/63/1316480463.db2.gz CMQMEMJYMVPRRJ-UHFFFAOYSA-N 1 0 330.388 2.497 20 5 EEBDRO O=[N+]([O-])c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc2[nH]ccc21 ZINC001155459157 1317604665 /nfs/dbraw/zinc/60/46/65/1317604665.db2.gz OWMNSJQCPJAVHO-LBPRGKRZSA-N 1 0 340.387 2.494 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155618996 1317676329 /nfs/dbraw/zinc/67/63/29/1317676329.db2.gz NNKHTDQWJJVYIJ-JMCQJSRRSA-N 1 0 348.190 2.015 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ncccn3)CC2)cc1 ZINC001254468054 1318081625 /nfs/dbraw/zinc/08/16/25/1318081625.db2.gz HJKPKPJEOPBAPS-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC001254478381 1318083745 /nfs/dbraw/zinc/08/37/45/1318083745.db2.gz ASFZFTIVEHVFOK-UHFFFAOYSA-N 1 0 333.388 2.012 20 5 EEBDRO CCc1cc(N[C@H]2CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156581432 1318086453 /nfs/dbraw/zinc/08/64/53/1318086453.db2.gz NMAXVPVINHBICL-AWEZNQCLSA-N 1 0 327.388 2.152 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001254532864 1318111399 /nfs/dbraw/zinc/11/13/99/1318111399.db2.gz QZVUWTWDNJGCSJ-MLGOLLRUSA-N 1 0 330.388 2.163 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)n2)c1 ZINC001254573539 1318126730 /nfs/dbraw/zinc/12/67/30/1318126730.db2.gz BOEUBEFXLFWCKL-MRXNPFEDSA-N 1 0 336.355 2.047 20 5 EEBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586250 1318134893 /nfs/dbraw/zinc/13/48/93/1318134893.db2.gz ORXYUQZRIHCMRN-JKSUJKDBSA-N 1 0 329.400 2.053 20 5 EEBDRO O=C(/C=C\c1ccc[nH]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157073851 1318383875 /nfs/dbraw/zinc/38/38/75/1318383875.db2.gz GWWFQKWDAFPVMR-PLNGDYQASA-N 1 0 334.401 2.294 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ccon3)CC2)ccc1[N+](=O)[O-] ZINC001256084426 1318643155 /nfs/dbraw/zinc/64/31/55/1318643155.db2.gz CXLFUJKKAZHAML-UHFFFAOYSA-N 1 0 332.360 2.350 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001157916457 1318928793 /nfs/dbraw/zinc/92/87/93/1318928793.db2.gz ZVGXCAKSNOYJPE-UHFFFAOYSA-N 1 0 348.794 2.390 20 5 EEBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001158134695 1319035305 /nfs/dbraw/zinc/03/53/05/1319035305.db2.gz CMTMFOFBRQGUGB-UHFFFAOYSA-N 1 0 347.762 2.112 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC3(C2)CCC[NH2+]C3)cnc1Cl ZINC001159018870 1319559820 /nfs/dbraw/zinc/55/98/20/1319559820.db2.gz YNCUSCQLHMQHJO-UHFFFAOYSA-N 1 0 332.738 2.378 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001159652122 1319936058 /nfs/dbraw/zinc/93/60/58/1319936058.db2.gz POOOQDAWCRGSIM-INIZCTEOSA-N 1 0 342.399 2.347 20 5 EEBDRO NC1=CC=C(C2CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163129353 1321045089 /nfs/dbraw/zinc/04/50/89/1321045089.db2.gz KLOBRHKZPRDXPU-UHFFFAOYSA-N 1 0 335.795 2.189 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc2cnccc21 ZINC001163176893 1321059981 /nfs/dbraw/zinc/05/99/81/1321059981.db2.gz ZUUVHRUTCBUFEV-XJKCOSOUSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163269383 1321082851 /nfs/dbraw/zinc/08/28/51/1321082851.db2.gz JVQRQIXDDCUTNH-ZBEGNZNMSA-N 1 0 331.376 2.042 20 5 EEBDRO COc1cc(C)nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC001163272790 1321084022 /nfs/dbraw/zinc/08/40/22/1321084022.db2.gz UFBWBLWXHJUTJE-AWEZNQCLSA-N 1 0 328.372 2.433 20 5 EEBDRO COc1cccc([C@@H](C[NH3+])Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001163309584 1321093938 /nfs/dbraw/zinc/09/39/38/1321093938.db2.gz MNCMPXCWLOKLMK-LLVKDONJSA-N 1 0 338.751 2.002 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc2cccnc21 ZINC001163325624 1321098609 /nfs/dbraw/zinc/09/86/09/1321098609.db2.gz BSHHVBWVUGMWJM-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc2cnccc21 ZINC001163328276 1321098623 /nfs/dbraw/zinc/09/86/23/1321098623.db2.gz PKCQJQQUSFYIHR-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001163905385 1321244312 /nfs/dbraw/zinc/24/43/12/1321244312.db2.gz PAZIGYKERCLIIV-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO COc1nc(N2CCC(C[NH3+])(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001164435396 1321377604 /nfs/dbraw/zinc/37/76/04/1321377604.db2.gz CYDUXXQQJKJIPB-UHFFFAOYSA-N 1 0 342.399 2.495 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)n2ncc3c2CC[NH2+]C3)c1 ZINC001165218615 1321475834 /nfs/dbraw/zinc/47/58/34/1321475834.db2.gz GHBVZDKIVFKQOF-UHFFFAOYSA-N 1 0 329.694 2.083 20 5 EEBDRO Cc1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165288638 1321493403 /nfs/dbraw/zinc/49/34/03/1321493403.db2.gz SLPABFNQOXNLLP-CXAGYDPISA-N 1 0 342.399 2.266 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)n1 ZINC001165432865 1321525638 /nfs/dbraw/zinc/52/56/38/1321525638.db2.gz UXNPSVNNUVVHND-UWVGGRQHSA-N 1 0 328.775 2.465 20 5 EEBDRO CCCOCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204704916 1322213206 /nfs/dbraw/zinc/21/32/06/1322213206.db2.gz MKPQLCXKYIPUPW-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205229992 1322323399 /nfs/dbraw/zinc/32/33/99/1322323399.db2.gz KUSVCJAVXXVPRG-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001263712186 1322506333 /nfs/dbraw/zinc/50/63/33/1322506333.db2.gz XOOHHZKEMQRRTF-UKPHBRMFSA-N 1 0 331.416 2.374 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001321720626 1333148594 /nfs/dbraw/zinc/14/85/94/1333148594.db2.gz NIXZDFDMNWPJPO-KGLIPLIRSA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001326075506 1334023467 /nfs/dbraw/zinc/02/34/67/1334023467.db2.gz NKBBSZRELAPSHG-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1C ZINC001333643184 1336094696 /nfs/dbraw/zinc/09/46/96/1336094696.db2.gz OJIATZDBMIPBAV-AWEZNQCLSA-N 1 0 347.415 2.100 20 5 EEBDRO Nc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001339517816 1337019548 /nfs/dbraw/zinc/01/95/48/1337019548.db2.gz GSJZFYIJSODIPE-UHFFFAOYSA-N 1 0 327.388 2.284 20 5 EEBDRO C[NH2+]CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001341128064 1337282660 /nfs/dbraw/zinc/28/26/60/1337282660.db2.gz VZEMRFCGRFJXAS-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001341874877 1337304270 /nfs/dbraw/zinc/30/42/70/1337304270.db2.gz ZKCGTNCADOFCNE-SECBINFHSA-N 1 0 331.294 2.425 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001100707043 1338668794 /nfs/dbraw/zinc/66/87/94/1338668794.db2.gz LJEBZQUHYXGLSH-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001576749083 1344055604 /nfs/dbraw/zinc/05/56/04/1344055604.db2.gz PMWVUEWDTAAXCO-VYUIOLGVSA-N 1 0 343.330 2.313 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c1 ZINC001579242496 1344357689 /nfs/dbraw/zinc/35/76/89/1344357689.db2.gz PUNJLAWPRMSLMX-SJCJKPOMSA-N 1 0 333.388 2.195 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2C[C@H]([NH3+])C23CCC3)c([N+](=O)[O-])c1=O ZINC001579947070 1344438035 /nfs/dbraw/zinc/43/80/35/1344438035.db2.gz GYVIHOQLAAURMY-STQMWFEESA-N 1 0 328.372 2.129 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@H]2CCC[NH2+]2)n1 ZINC001580493592 1344525796 /nfs/dbraw/zinc/52/57/96/1344525796.db2.gz IOTASPGRVIQPJT-LHRNQBEKSA-N 1 0 339.355 2.461 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001580493955 1344526570 /nfs/dbraw/zinc/52/65/70/1344526570.db2.gz ONMLLAQHIFCUHS-CGQZWFTASA-N 1 0 337.379 2.439 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1csc(-c2nn[nH]n2)c1 ZINC001582804829 1344792953 /nfs/dbraw/zinc/79/29/53/1344792953.db2.gz NQBFOGJLJJILDE-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO O=[N+]([O-])c1cc(NC2CC([NH+]3CCCCC3)C2)ccc1-c1nn[nH]n1 ZINC001593474569 1349807776 /nfs/dbraw/zinc/80/77/76/1349807776.db2.gz TWCPCTHKZPSDCZ-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001604038057 1350835514 /nfs/dbraw/zinc/83/55/14/1350835514.db2.gz URPYOYKQYXDQEZ-LBPRGKRZSA-N 1 0 345.407 2.370 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC001607083804 1351410888 /nfs/dbraw/zinc/41/08/88/1351410888.db2.gz NOKUQTTVLYDMSC-NSHDSACASA-N 1 0 340.343 2.357 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000573713911 1367389894 /nfs/dbraw/zinc/38/98/94/1367389894.db2.gz QPKWEQRWUOABLJ-CQSZACIVSA-N 1 0 342.399 2.457 20 5 EEBDRO C[NH+](C)CCCC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110606389 1369151834 /nfs/dbraw/zinc/15/18/34/1369151834.db2.gz GRYYRQMYPNOYGT-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001121720007 1371918411 /nfs/dbraw/zinc/91/84/11/1371918411.db2.gz LECVGLQLQHLCLC-RYUDHWBXSA-N 1 0 347.423 2.120 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC001122260721 1371955969 /nfs/dbraw/zinc/95/59/69/1371955969.db2.gz QHSZSBAGNDEJNI-CQSZACIVSA-N 1 0 343.383 2.164 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001752723085 1406364318 /nfs/dbraw/zinc/36/43/18/1406364318.db2.gz DUFUSSXGGWFFDY-BETUJISGSA-N 1 0 349.435 2.036 20 5 EEBDRO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)CCOC)CC1 ZINC001755068047 1407077262 /nfs/dbraw/zinc/07/72/62/1407077262.db2.gz QJAVAZOGUPTBMY-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001576791409 1403604691 /nfs/dbraw/zinc/60/46/91/1403604691.db2.gz QYOHDGKIDLADBC-IUCAKERBSA-N 1 0 331.294 2.436 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001578054587 1403715756 /nfs/dbraw/zinc/71/57/56/1403715756.db2.gz YQMDNMMWQAEOKB-AWEZNQCLSA-N 1 0 349.387 2.034 20 5 EEBDRO CN(C)/C=C/c1cc(-n2ccnc2[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167054774 757027579 /nfs/dbraw/zinc/02/75/79/757027579.db2.gz FHJBVPHGKLPSHI-GPAKFWEMSA-N 1 0 342.403 2.175 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1coc(C2CC2)n1 ZINC001167737792 765615060 /nfs/dbraw/zinc/61/50/60/765615060.db2.gz CAGDRHCCRIUNJS-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COC(=O)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000918733140 769354703 /nfs/dbraw/zinc/35/47/03/769354703.db2.gz NQCCJZAEHSFOCM-UHFFFAOYSA-N 1 0 332.360 2.177 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC001127534877 770600649 /nfs/dbraw/zinc/60/06/49/770600649.db2.gz SMNQKUNXTRLFCP-UHFFFAOYSA-N 1 0 349.416 2.097 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000921076789 770954813 /nfs/dbraw/zinc/95/48/13/770954813.db2.gz ANOOGRPWXOENMX-JTQLQIEISA-N 1 0 338.364 2.272 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+]1CCCC1 ZINC001105410743 782963399 /nfs/dbraw/zinc/96/33/99/782963399.db2.gz MNVMLTXEJNPERT-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000068510767 774617659 /nfs/dbraw/zinc/61/76/59/774617659.db2.gz CITDBUIDXYPHEF-CYBMUJFWSA-N 1 0 334.420 2.480 20 5 EEBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068516050 774620219 /nfs/dbraw/zinc/62/02/19/774620219.db2.gz QMZXLJVZPUJLBF-AAEUAGOBSA-N 1 0 334.420 2.336 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127654146 777636712 /nfs/dbraw/zinc/63/67/12/777636712.db2.gz GTUKAPXVJWMOLV-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCCC1CCC1)C2 ZINC000982278673 779502751 /nfs/dbraw/zinc/50/27/51/779502751.db2.gz NWODIEJGMMFYNY-RWQQGDIJSA-N 1 0 349.475 2.402 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954335 790774551 /nfs/dbraw/zinc/77/45/51/790774551.db2.gz FGIBZKXROSXYFM-HJIKLVIJSA-N 1 0 341.795 2.324 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC(CN2CCOCC2)C1 ZINC000893942312 780325428 /nfs/dbraw/zinc/32/54/28/780325428.db2.gz CWAPPDJCZOVWGL-UHFFFAOYSA-N 1 0 346.362 2.051 20 5 EEBDRO [NH3+]CCc1cn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167985000 781374217 /nfs/dbraw/zinc/37/42/17/781374217.db2.gz YRRFQFYHAIYOLW-UHFFFAOYSA-N 1 0 348.746 2.032 20 5 EEBDRO [NH3+]CCN(Cc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000809734703 783316493 /nfs/dbraw/zinc/31/64/93/783316493.db2.gz KDJQVMSEIZSJSN-UHFFFAOYSA-N 1 0 329.282 2.302 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000817491969 784794923 /nfs/dbraw/zinc/79/49/23/784794923.db2.gz VIEOONWOYVSVRJ-ZDUSSCGKSA-N 1 0 327.331 2.239 20 5 EEBDRO O=C1CCCCCN1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818941395 785333865 /nfs/dbraw/zinc/33/38/65/785333865.db2.gz UPNNYQSIKQJXLA-MRXNPFEDSA-N 1 0 335.404 2.011 20 5 EEBDRO O=C1Nc2ccccc2[C@H]1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818977938 785346255 /nfs/dbraw/zinc/34/62/55/785346255.db2.gz AAHBNXGGQNEOJK-NVXWUHKLSA-N 1 0 341.367 2.344 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000818975038 785370024 /nfs/dbraw/zinc/37/00/24/785370024.db2.gz JSINOVIMKYPHMH-SFHVURJKSA-N 1 0 327.384 2.234 20 5 EEBDRO COc1ccc(OC)c([C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819111133 785430578 /nfs/dbraw/zinc/43/05/78/785430578.db2.gz LSMYKSKQGWBXGQ-KRWDZBQOSA-N 1 0 346.383 2.478 20 5 EEBDRO COc1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000819176956 785448453 /nfs/dbraw/zinc/44/84/53/785448453.db2.gz IVNGRQPFWVCWBX-INIZCTEOSA-N 1 0 332.356 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000819191184 785455816 /nfs/dbraw/zinc/45/58/16/785455816.db2.gz NXYHYPKDPSUYPU-MRXNPFEDSA-N 1 0 331.328 2.369 20 5 EEBDRO Cc1cc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000996430014 786397420 /nfs/dbraw/zinc/39/74/20/786397420.db2.gz YHMSUGYYFYDBFK-SJLPKXTDSA-N 1 0 345.443 2.358 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107275209 786686044 /nfs/dbraw/zinc/68/60/44/786686044.db2.gz QNVPUMVYVNWREB-VOTSOKGWSA-N 1 0 334.420 2.411 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107280924 786701146 /nfs/dbraw/zinc/70/11/46/786701146.db2.gz YBOUYHWFTLTIRI-WAYWQWQTSA-N 1 0 334.420 2.329 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107280840 786701199 /nfs/dbraw/zinc/70/11/99/786701199.db2.gz WDUMOALEJCQUJY-SNAWJCMRSA-N 1 0 338.383 2.160 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911876062 787787298 /nfs/dbraw/zinc/78/72/98/787787298.db2.gz WJRYFOHAICMZJA-SJORKVTESA-N 1 0 347.415 2.055 20 5 EEBDRO O=C(N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CC1 ZINC000996986252 788347969 /nfs/dbraw/zinc/34/79/69/788347969.db2.gz XHCNNKCAGNAJER-UHFFFAOYSA-N 1 0 335.379 2.425 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000922938834 788362728 /nfs/dbraw/zinc/36/27/28/788362728.db2.gz IWTZDNRMSFZTOI-GFCCVEGCSA-N 1 0 332.303 2.091 20 5 EEBDRO CC(C)c1oncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001146440892 791269356 /nfs/dbraw/zinc/26/93/56/791269356.db2.gz BIEFQRUSNSZNCF-UHFFFAOYSA-N 1 0 338.389 2.287 20 5 EEBDRO Cc1cc(NCc2ccccc2N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001171281653 791403222 /nfs/dbraw/zinc/40/32/22/791403222.db2.gz LWMHRCKETZXECB-UHFFFAOYSA-N 1 0 327.388 2.320 20 5 EEBDRO Cc1nn(C(C)C)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147580141 791875596 /nfs/dbraw/zinc/87/55/96/791875596.db2.gz VNOZENLCAORJFP-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO CCCc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)co1 ZINC001147712631 791921733 /nfs/dbraw/zinc/92/17/33/791921733.db2.gz TXONHWWQKVVRLU-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000232470755 792090386 /nfs/dbraw/zinc/09/03/86/792090386.db2.gz KVSDVFUDFKCJJR-GHMZBOCLSA-N 1 0 326.194 2.009 20 5 EEBDRO CN1CCc2c(-n3cc4ccc(C[NH3+])cc4n3)ccc([N+](=O)[O-])c2C1 ZINC001171323030 792209215 /nfs/dbraw/zinc/20/92/15/792209215.db2.gz GQDMOTDKRYESEX-UHFFFAOYSA-N 1 0 337.383 2.380 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc2sc([N+](=O)[O-])cc21 ZINC001171399346 794715088 /nfs/dbraw/zinc/71/50/88/794715088.db2.gz HXAODAMERPXQDX-SECBINFHSA-N 1 0 343.368 2.457 20 5 EEBDRO O=C(Nc1ccc(F)cc1)C1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000152343497 794803921 /nfs/dbraw/zinc/80/39/21/794803921.db2.gz NBIRPFOVEBFBDE-UHFFFAOYSA-N 1 0 347.350 2.239 20 5 EEBDRO Cc1c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001093969045 795822200 /nfs/dbraw/zinc/82/22/00/795822200.db2.gz ATBUVSREJXDEBX-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO Cc1cc(NCCNC(=O)c2ccn3c[nH+]cc3c2)ccc1[N+](=O)[O-] ZINC001094253329 796041421 /nfs/dbraw/zinc/04/14/21/796041421.db2.gz LIWFESOZYAQOJU-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO O=C(CCC[NH+]1CCCCC1)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094441167 796247001 /nfs/dbraw/zinc/24/70/01/796247001.db2.gz POPMZALXNXAFMV-UHFFFAOYSA-N 1 0 349.435 2.174 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C[NH+]1CCCC1 ZINC001106777497 796515999 /nfs/dbraw/zinc/51/59/99/796515999.db2.gz XRWNEYBEUIHRAX-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H](C)[NH2+]1 ZINC000153880387 796961971 /nfs/dbraw/zinc/96/19/71/796961971.db2.gz NWVLJMVGGQUASA-OKILXGFUSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@H]1COCCN1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901013 797129663 /nfs/dbraw/zinc/12/96/63/797129663.db2.gz FLYOMDVLMJIVNR-WMLDXEAASA-N 1 0 333.432 2.153 20 5 EEBDRO CNC(=O)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907714 797133171 /nfs/dbraw/zinc/13/31/71/797133171.db2.gz HSVKAIVAFDURMQ-MRXNPFEDSA-N 1 0 331.416 2.300 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCc3nn(C)cc3C2)c1F ZINC001173187571 797281459 /nfs/dbraw/zinc/28/14/59/797281459.db2.gz ADKSUPYBPLBZOZ-LLVKDONJSA-N 1 0 348.378 2.465 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C(N)=O)C(C)(C)C)c1F ZINC001173191937 797281859 /nfs/dbraw/zinc/28/18/59/797281859.db2.gz NWYOINMEEOENLI-LKFCYVNXSA-N 1 0 341.383 2.163 20 5 EEBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194336 797283041 /nfs/dbraw/zinc/28/30/41/797283041.db2.gz SQWVSNRVLDEKIP-AVGNSLFASA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C(=O)NCc2ccccc21 ZINC001173231528 797301196 /nfs/dbraw/zinc/30/11/96/797301196.db2.gz ANGFRANVJYEYKK-PXAZEXFGSA-N 1 0 325.368 2.487 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001173237168 797323303 /nfs/dbraw/zinc/32/33/03/797323303.db2.gz INUSATZKKXLXTL-YSVLISHTSA-N 1 0 331.416 2.469 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001095247337 797580221 /nfs/dbraw/zinc/58/02/21/797580221.db2.gz HBMXAAHZTMCBAM-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917661436 798312141 /nfs/dbraw/zinc/31/21/41/798312141.db2.gz ZEQZOESPKINSFQ-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000917660598 798312179 /nfs/dbraw/zinc/31/21/79/798312179.db2.gz DXHVMVMGKUDGCQ-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001110192386 798335619 /nfs/dbraw/zinc/33/56/19/798335619.db2.gz JFXHOJWRCPKEDF-UHFFFAOYSA-N 1 0 344.415 2.060 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000823484751 798737895 /nfs/dbraw/zinc/73/78/95/798737895.db2.gz XELQPFMDBMBOND-YPMHNXCESA-N 1 0 337.424 2.073 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001086289194 802680577 /nfs/dbraw/zinc/68/05/77/802680577.db2.gz ISSQPHITSGUXSW-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001086430248 802955689 /nfs/dbraw/zinc/95/56/89/802955689.db2.gz HYQVMBRFQNKKJG-YEORSEQZSA-N 1 0 346.362 2.360 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc4cccnc4c([N+](=O)[O-])c3)n2)c1 ZINC001168887753 803502577 /nfs/dbraw/zinc/50/25/77/803502577.db2.gz LMNLJHVDVHJSIW-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)C1 ZINC001168955728 803549064 /nfs/dbraw/zinc/54/90/64/803549064.db2.gz BOXORZPHVJHLHQ-DGCLKSJQSA-N 1 0 339.827 2.134 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC001168967082 803552893 /nfs/dbraw/zinc/55/28/93/803552893.db2.gz NAISPTGUPSOXGL-YJBOKZPZSA-N 1 0 333.432 2.054 20 5 EEBDRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967693 803553352 /nfs/dbraw/zinc/55/33/52/803553352.db2.gz SNNDZLPIZVFRQE-PBHICJAKSA-N 1 0 331.416 2.326 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006571 803568021 /nfs/dbraw/zinc/56/80/21/803568021.db2.gz IKXBXKAPSVPENY-KBPBESRZSA-N 1 0 330.388 2.395 20 5 EEBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001169007656 803569028 /nfs/dbraw/zinc/56/90/28/803569028.db2.gz OYOFDTHLQYRNDR-OLZOCXBDSA-N 1 0 327.425 2.469 20 5 EEBDRO O=C(c1ccccc1)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169045549 803577312 /nfs/dbraw/zinc/57/73/12/803577312.db2.gz JLMWXFPRMRTXEI-DOTOQJQBSA-N 1 0 331.416 2.280 20 5 EEBDRO NC(=O)c1ccc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036775 803580057 /nfs/dbraw/zinc/58/00/57/803580057.db2.gz HHVOZPXTRKEEED-ZFWWWQNUSA-N 1 0 347.415 2.074 20 5 EEBDRO CC(C)(C)CC(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169041677 803583930 /nfs/dbraw/zinc/58/39/30/803583930.db2.gz BYUQUXAZDOIPEM-UKRRQHHQSA-N 1 0 325.453 2.449 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)C1 ZINC001169020076 803588025 /nfs/dbraw/zinc/58/80/25/803588025.db2.gz IBJZXWWEFGYFAW-RPUYLAQPSA-N 1 0 347.415 2.138 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169025443 803591361 /nfs/dbraw/zinc/59/13/61/803591361.db2.gz IYZQJVWQOSGQRH-BBRMVZONSA-N 1 0 335.379 2.029 20 5 EEBDRO CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)C[C@@](C)(C[NH3+])C1 ZINC001169137984 803630223 /nfs/dbraw/zinc/63/02/23/803630223.db2.gz NHRGGTLDDHSPDB-QLJPJBMISA-N 1 0 335.408 2.044 20 5 EEBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001156376031 804035256 /nfs/dbraw/zinc/03/52/56/804035256.db2.gz LAFMGBGZSIGRDH-JMCQJSRRSA-N 1 0 332.191 2.080 20 5 EEBDRO COCCC(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001169857148 804132778 /nfs/dbraw/zinc/13/27/78/804132778.db2.gz ZIZUXHDJKPAKGG-UHFFFAOYSA-N 1 0 343.449 2.315 20 5 EEBDRO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001109465681 805508187 /nfs/dbraw/zinc/50/81/87/805508187.db2.gz OLWTWJFFLLGRPB-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170312721 809886423 /nfs/dbraw/zinc/88/64/23/809886423.db2.gz HHLJXXMMWMGJIH-BLLLJJGKSA-N 1 0 331.372 2.253 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)s1 ZINC001130137623 811210707 /nfs/dbraw/zinc/21/07/07/811210707.db2.gz IVCFSUHBIMQGEG-UHFFFAOYSA-N 1 0 340.430 2.249 20 5 EEBDRO O=C(COC1CCCCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130683593 811943520 /nfs/dbraw/zinc/94/35/20/811943520.db2.gz AQYLNYBHJWKXJL-UHFFFAOYSA-N 1 0 341.433 2.211 20 5 EEBDRO COCc1ccccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130771112 812016138 /nfs/dbraw/zinc/01/61/38/812016138.db2.gz FNSVBSDXZFHDJW-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807987779 812403992 /nfs/dbraw/zinc/40/39/92/812403992.db2.gz NNOGHVPYDDHARO-NSHDSACASA-N 1 0 349.416 2.156 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000808191164 812505806 /nfs/dbraw/zinc/50/58/06/812505806.db2.gz MIOVTSXYAYXHPO-JSGCOSHPSA-N 1 0 346.387 2.019 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418771283 529933669 /nfs/dbraw/zinc/93/36/69/529933669.db2.gz OVZJKLHAIRZWFX-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178503422 232208297 /nfs/dbraw/zinc/20/82/97/232208297.db2.gz QXYMPVKVRQOZNR-INIZCTEOSA-N 1 0 349.431 2.018 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180908800 234026678 /nfs/dbraw/zinc/02/66/78/234026678.db2.gz KPDYWFIGWFDFCG-NWDGAFQWSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000193493391 237397903 /nfs/dbraw/zinc/39/79/03/237397903.db2.gz NULSKECWEJLZAB-PBHICJAKSA-N 1 0 349.434 2.411 20 5 EEBDRO COCC[N@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000061379442 201145608 /nfs/dbraw/zinc/14/56/08/201145608.db2.gz ZFPRZEMTLIMQHD-UHFFFAOYSA-N 1 0 332.198 2.347 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000193700750 240272031 /nfs/dbraw/zinc/27/20/31/240272031.db2.gz CEKXSOFAJNMTKM-BDJLRTHQSA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCCCCC2)ccc1[N+](=O)[O-] ZINC000441693473 242082337 /nfs/dbraw/zinc/08/23/37/242082337.db2.gz WWKXHLDJZKPSHD-UHFFFAOYSA-N 1 0 341.433 2.233 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605195 242184130 /nfs/dbraw/zinc/18/41/30/242184130.db2.gz DWEPEBQBGSTRRR-CABCVRRESA-N 1 0 332.404 2.140 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000447587563 242290359 /nfs/dbraw/zinc/29/03/59/242290359.db2.gz QREWEHYLPVGPDR-KBPBESRZSA-N 1 0 330.392 2.206 20 5 EEBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588738 242292943 /nfs/dbraw/zinc/29/29/43/242292943.db2.gz VHNSYPPRKAZYJN-OEAJRASXSA-N 1 0 333.436 2.347 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449714898 242612738 /nfs/dbraw/zinc/61/27/38/242612738.db2.gz AKLQMBKFXDODCN-ZYHUDNBSSA-N 1 0 341.795 2.261 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451496336 243134376 /nfs/dbraw/zinc/13/43/76/243134376.db2.gz UKORGCQEQOBAKG-FRFSOERESA-N 1 0 338.404 2.128 20 5 EEBDRO NC(=O)c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000072718750 203243222 /nfs/dbraw/zinc/24/32/22/203243222.db2.gz DGMKWALKQHLVNN-AWEZNQCLSA-N 1 0 346.431 2.002 20 5 EEBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1O ZINC000077460405 203388991 /nfs/dbraw/zinc/38/89/91/203388991.db2.gz LNYWNPWGZWZZJE-HNNXBMFYSA-N 1 0 338.385 2.368 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154879755 205963302 /nfs/dbraw/zinc/96/33/02/205963302.db2.gz HMLUDYPYGCZJIM-WBVHZDCISA-N 1 0 331.416 2.470 20 5 EEBDRO NC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157081721 206115867 /nfs/dbraw/zinc/11/58/67/206115867.db2.gz FPQJYODGXHUGON-NSHDSACASA-N 1 0 332.385 2.026 20 5 EEBDRO Cc1n[nH]c(C(=O)NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264273234 246271255 /nfs/dbraw/zinc/27/12/55/246271255.db2.gz SLQCXKZNTGUDAR-UHFFFAOYSA-N 1 0 337.424 2.402 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000264399751 246452679 /nfs/dbraw/zinc/45/26/79/246452679.db2.gz MDGNBDYSJRYCTR-INIZCTEOSA-N 1 0 346.431 2.014 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000266058770 248068855 /nfs/dbraw/zinc/06/88/55/248068855.db2.gz AHXQESVFOCFQDD-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO CC[N@H+](CCCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000266595952 248376676 /nfs/dbraw/zinc/37/66/76/248376676.db2.gz VLPYTQYALISBME-UHFFFAOYSA-N 1 0 334.319 2.409 20 5 EEBDRO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174952298 207075817 /nfs/dbraw/zinc/07/58/17/207075817.db2.gz IUJQTFJSLWGLLT-QGZVFWFLSA-N 1 0 343.431 2.388 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000175397577 207123385 /nfs/dbraw/zinc/12/33/85/207123385.db2.gz DLROOEUNFVNVJM-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccc(F)cc1 ZINC000176230370 207203145 /nfs/dbraw/zinc/20/31/45/207203145.db2.gz DGHZJCZZGFJPSN-UHFFFAOYSA-N 1 0 349.366 2.280 20 5 EEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(Cc2ccccc2)CC1 ZINC000176243955 207206714 /nfs/dbraw/zinc/20/67/14/207206714.db2.gz HUILDQFRGLGDKH-UHFFFAOYSA-N 1 0 343.431 2.388 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000269124439 255532590 /nfs/dbraw/zinc/53/25/90/255532590.db2.gz LKQPMVYACYQALV-AWEZNQCLSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000267460052 256061540 /nfs/dbraw/zinc/06/15/40/256061540.db2.gz UVMCGTPBCNTVBV-LRDDRELGSA-N 1 0 343.387 2.175 20 5 EEBDRO Cc1cnc(NCc2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000270722638 256164460 /nfs/dbraw/zinc/16/44/60/256164460.db2.gz ONCRJFUQXYMGRN-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000272824285 256241858 /nfs/dbraw/zinc/24/18/58/256241858.db2.gz LOMRUYLYVCMKTJ-WCQYABFASA-N 1 0 334.376 2.304 20 5 EEBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273565931 256307216 /nfs/dbraw/zinc/30/72/16/256307216.db2.gz CNERUGZQECEHTG-CQSZACIVSA-N 1 0 327.388 2.486 20 5 EEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])cn1 ZINC000274004417 256344879 /nfs/dbraw/zinc/34/48/79/256344879.db2.gz UDDLEYNSXIKMHL-UHFFFAOYSA-N 1 0 337.330 2.231 20 5 EEBDRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000276025297 256396602 /nfs/dbraw/zinc/39/66/02/256396602.db2.gz QZODUMOZMTYEIK-UHFFFAOYSA-N 1 0 330.388 2.219 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000377199021 154083769 /nfs/dbraw/zinc/08/37/69/154083769.db2.gz SLJKJTWEZAHYMM-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128062826 292335661 /nfs/dbraw/zinc/33/56/61/292335661.db2.gz LCUQYVNHHFWHPM-CABCVRRESA-N 1 0 348.447 2.141 20 5 EEBDRO C[N@H+](CCCn1ccnc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130385076 292372748 /nfs/dbraw/zinc/37/27/48/292372748.db2.gz FRLVFUKVCHODFK-UHFFFAOYSA-N 1 0 332.360 2.180 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000066533609 158999945 /nfs/dbraw/zinc/99/99/45/158999945.db2.gz CRNAQPDBUKLLNV-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000077924526 159111632 /nfs/dbraw/zinc/11/16/32/159111632.db2.gz OFNPSBHKPXRQTC-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000081435666 159153038 /nfs/dbraw/zinc/15/30/38/159153038.db2.gz NXMJBGHQTFQBAQ-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000237724694 160224500 /nfs/dbraw/zinc/22/45/00/160224500.db2.gz NNUUEJJDAKJOOH-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341862998 161019692 /nfs/dbraw/zinc/01/96/92/161019692.db2.gz ULMAQYBVVRFSRW-UHFFFAOYSA-N 1 0 343.449 2.385 20 5 EEBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000343066964 161099607 /nfs/dbraw/zinc/09/96/07/161099607.db2.gz JKWQOSOFXMDOPH-UONOGXRCSA-N 1 0 335.404 2.353 20 5 EEBDRO CC(=O)NC1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344142300 161201937 /nfs/dbraw/zinc/20/19/37/161201937.db2.gz MQLWQIXYVFSPPB-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO Cn1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000345605276 161315460 /nfs/dbraw/zinc/31/54/60/161315460.db2.gz WQPGBZKRFWVMBW-UHFFFAOYSA-N 1 0 342.399 2.112 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000345850183 161337429 /nfs/dbraw/zinc/33/74/29/161337429.db2.gz IEPRHBZCNFWRDV-ZIAGYGMSSA-N 1 0 336.436 2.421 20 5 EEBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(-n2ccnc2)c1 ZINC000346521328 161378844 /nfs/dbraw/zinc/37/88/44/161378844.db2.gz INYBGBCPHKGXBM-GFCCVEGCSA-N 1 0 326.360 2.365 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000352563558 162190222 /nfs/dbraw/zinc/19/02/22/162190222.db2.gz RPLAQZBJLALTNT-MRXNPFEDSA-N 1 0 331.347 2.435 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352697138 162250657 /nfs/dbraw/zinc/25/06/57/162250657.db2.gz XYBILCVRBBAAFD-XQQFMLRXSA-N 1 0 334.420 2.472 20 5 EEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000352996884 162381755 /nfs/dbraw/zinc/38/17/55/162381755.db2.gz IYMHHJQYLRAPIE-UHFFFAOYSA-N 1 0 349.387 2.307 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356256818 163382531 /nfs/dbraw/zinc/38/25/31/163382531.db2.gz TZBBLNDMVNPDQQ-ABAIWWIYSA-N 1 0 344.371 2.117 20 5 EEBDRO CCOc1cccc(NC[C@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000359709543 164157766 /nfs/dbraw/zinc/15/77/66/164157766.db2.gz VAUBDYIMZHZXBL-AWEZNQCLSA-N 1 0 337.420 2.498 20 5 EEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000360666065 164359974 /nfs/dbraw/zinc/35/99/74/164359974.db2.gz NLDBRNYKPVKTSY-UWVGGRQHSA-N 1 0 347.824 2.009 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832216 164387775 /nfs/dbraw/zinc/38/77/75/164387775.db2.gz DGFXKWGCJLHJMO-DOMZBBRYSA-N 1 0 338.404 2.432 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369793233 166331572 /nfs/dbraw/zinc/33/15/72/166331572.db2.gz KINHYWSYGCMKSG-CABCVRRESA-N 1 0 332.404 2.063 20 5 EEBDRO Cc1c(CC(=O)N2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000369931352 166359532 /nfs/dbraw/zinc/35/95/32/166359532.db2.gz UVABDOWQJGLHPC-UHFFFAOYSA-N 1 0 331.416 2.438 20 5 EEBDRO CN(C(=O)CN1CCOCC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375790283 167194906 /nfs/dbraw/zinc/19/49/06/167194906.db2.gz KMLYMUSGSHYPCF-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000274952670 269078923 /nfs/dbraw/zinc/07/89/23/269078923.db2.gz CHGPBACLHYIKBX-JTQLQIEISA-N 1 0 346.391 2.485 20 5 EEBDRO C[NH+]1CCN(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278365411 269226670 /nfs/dbraw/zinc/22/66/70/269226670.db2.gz KQEKYYVMQZZCHV-UHFFFAOYSA-N 1 0 347.341 2.058 20 5 EEBDRO Cc1c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000278642518 269238825 /nfs/dbraw/zinc/23/88/25/269238825.db2.gz SITKWIBEPHHPCZ-CYBMUJFWSA-N 1 0 335.404 2.134 20 5 EEBDRO CC[NH+](CC)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279520443 269284514 /nfs/dbraw/zinc/28/45/14/269284514.db2.gz KFRPLUHVHPGYFR-UHFFFAOYSA-N 1 0 331.775 2.388 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279673846 269299527 /nfs/dbraw/zinc/29/95/27/269299527.db2.gz ZCQYZBMSJZWIMW-UHFFFAOYSA-N 1 0 343.786 2.482 20 5 EEBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279845153 269310792 /nfs/dbraw/zinc/31/07/92/269310792.db2.gz RULMOBGPFBPUCL-CZUORRHYSA-N 1 0 335.404 2.183 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280795591 269391219 /nfs/dbraw/zinc/39/12/19/269391219.db2.gz JYQIOUJHFIUQCX-CRAIPNDOSA-N 1 0 331.416 2.423 20 5 EEBDRO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554465 274021947 /nfs/dbraw/zinc/02/19/47/274021947.db2.gz ZUGLRXUVAMHHDF-ZBFHGGJFSA-N 1 0 349.431 2.315 20 5 EEBDRO CNC(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000193519961 274063465 /nfs/dbraw/zinc/06/34/65/274063465.db2.gz FBPRIHOIQPNHOZ-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CO[C@H]1C[C@@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000345129593 274083078 /nfs/dbraw/zinc/08/30/78/274083078.db2.gz GRTBXYAJKIRVIV-RYUDHWBXSA-N 1 0 327.812 2.399 20 5 EEBDRO COc1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271608194 274144848 /nfs/dbraw/zinc/14/48/48/274144848.db2.gz JOKYADRICMCGNK-JSGCOSHPSA-N 1 0 329.397 2.224 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271787481 274152103 /nfs/dbraw/zinc/15/21/03/274152103.db2.gz KXKJEYMNKUBFFM-RYUDHWBXSA-N 1 0 343.836 2.366 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000277411180 274291078 /nfs/dbraw/zinc/29/10/78/274291078.db2.gz HWXNEAOSYGPTDC-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000277933430 274325062 /nfs/dbraw/zinc/32/50/62/274325062.db2.gz KAWCIGWIMLMLEJ-IAQYHMDHSA-N 1 0 345.403 2.302 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099032 274678096 /nfs/dbraw/zinc/67/80/96/274678096.db2.gz KFUAHHDFXMNVER-GXTWGEPZSA-N 1 0 344.419 2.230 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287253876 274948693 /nfs/dbraw/zinc/94/86/93/274948693.db2.gz RPCRBSGTSLIXCZ-RHSMWYFYSA-N 1 0 347.415 2.367 20 5 EEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287988096 275012601 /nfs/dbraw/zinc/01/26/01/275012601.db2.gz RPMAAXNHVKCDRP-CQSZACIVSA-N 1 0 338.383 2.089 20 5 EEBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000311094642 275041199 /nfs/dbraw/zinc/04/11/99/275041199.db2.gz ZNKIXGZZHMLBER-HZPDHXFCSA-N 1 0 339.399 2.343 20 5 EEBDRO COc1cc(C[NH2+]CCc2nnc(C)s2)c([N+](=O)[O-])cc1OC ZINC000289992765 275168560 /nfs/dbraw/zinc/16/85/60/275168560.db2.gz XQJHTRIVPJIHKB-UHFFFAOYSA-N 1 0 338.389 2.104 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)C1CCCC1 ZINC000290201744 275188880 /nfs/dbraw/zinc/18/88/80/275188880.db2.gz PEDCXWCHKRWIMP-WBMJQRKESA-N 1 0 335.404 2.453 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290277611 275194390 /nfs/dbraw/zinc/19/43/90/275194390.db2.gz LZKXYIZQHXNZLH-ZDUSSCGKSA-N 1 0 328.434 2.329 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000360984414 276328204 /nfs/dbraw/zinc/32/82/04/276328204.db2.gz KESJIMKOGSXSBK-CQSZACIVSA-N 1 0 339.440 2.057 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000339947745 279117020 /nfs/dbraw/zinc/11/70/20/279117020.db2.gz SAKXIPUWDXMVGK-GFCCVEGCSA-N 1 0 338.408 2.133 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246050530 279460430 /nfs/dbraw/zinc/46/04/30/279460430.db2.gz PLAUOWXHQMJBKE-IAOVAPTHSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3[NH2+]CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261760895 280198491 /nfs/dbraw/zinc/19/84/91/280198491.db2.gz NTMQXGRVOXCNAO-VHSXEESVSA-N 1 0 341.209 2.249 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477217 280799023 /nfs/dbraw/zinc/79/90/23/280799023.db2.gz ZOOBTCNADNXENN-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO Cn1ccnc1[C@H](NCC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353668435 282044418 /nfs/dbraw/zinc/04/44/18/282044418.db2.gz FYXUHBYSEIILBI-MRXNPFEDSA-N 1 0 343.431 2.492 20 5 EEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000026854313 289225452 /nfs/dbraw/zinc/22/54/52/289225452.db2.gz MVZZKSPXZAPMHZ-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000493829517 289340323 /nfs/dbraw/zinc/34/03/23/289340323.db2.gz WYVVQKVLDOUFHQ-KQQSKNTNSA-N 1 0 335.429 2.162 20 5 EEBDRO Cn1ncc(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000293035694 293107747 /nfs/dbraw/zinc/10/77/47/293107747.db2.gz ANSVFODJBAQFRG-INIZCTEOSA-N 1 0 329.404 2.267 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296710096 294046618 /nfs/dbraw/zinc/04/66/18/294046618.db2.gz LVQWOKXQISVENN-ZDUSSCGKSA-N 1 0 349.412 2.224 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000298961622 294625760 /nfs/dbraw/zinc/62/57/60/294625760.db2.gz XVBWFFNJALGAFX-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299458499 294747188 /nfs/dbraw/zinc/74/71/88/294747188.db2.gz XFJVPHPZQDKOGA-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+](C)C ZINC000301086824 294821005 /nfs/dbraw/zinc/82/10/05/294821005.db2.gz KIJTXHYCXSYQJT-CYBMUJFWSA-N 1 0 333.392 2.360 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000247331404 297362379 /nfs/dbraw/zinc/36/23/79/297362379.db2.gz VAZMTDZSDFKSOI-GUTXKFCHSA-N 1 0 346.431 2.169 20 5 EEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411383767 312533148 /nfs/dbraw/zinc/53/31/48/312533148.db2.gz GTAWMDDDVOUTAS-NSHDSACASA-N 1 0 341.383 2.132 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1[NH+]1CCOCC1 ZINC000413183916 312814524 /nfs/dbraw/zinc/81/45/24/312814524.db2.gz WJKFKVVAGCMGRM-GUYCJALGSA-N 1 0 342.399 2.300 20 5 EEBDRO CCOc1cc(NC(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414759983 313078307 /nfs/dbraw/zinc/07/83/07/313078307.db2.gz PNXFJSINFPURDW-JTQLQIEISA-N 1 0 340.380 2.251 20 5 EEBDRO Cc1c(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000418074946 313706263 /nfs/dbraw/zinc/70/62/63/313706263.db2.gz DMPGVPVRGXQGSQ-UHFFFAOYSA-N 1 0 332.404 2.188 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418076622 313706311 /nfs/dbraw/zinc/70/63/11/313706311.db2.gz GRDNBAQYOFKLRX-RRFJBIMHSA-N 1 0 332.404 2.091 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418733148 313891838 /nfs/dbraw/zinc/89/18/38/313891838.db2.gz UZEIQKQYXMOSBV-JSGCOSHPSA-N 1 0 348.403 2.016 20 5 EEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000420935326 314001762 /nfs/dbraw/zinc/00/17/62/314001762.db2.gz HSZZTVZYUIJSNV-NWDGAFQWSA-N 1 0 332.360 2.095 20 5 EEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420947140 314006925 /nfs/dbraw/zinc/00/69/25/314006925.db2.gz SXFBUUIAGWMLMX-VXGBXAGGSA-N 1 0 332.360 2.095 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425276470 314370749 /nfs/dbraw/zinc/37/07/49/314370749.db2.gz PLJCUXZAGGHIPT-LSDHHAIUSA-N 1 0 327.388 2.039 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440417427 315130476 /nfs/dbraw/zinc/13/04/76/315130476.db2.gz PVNYGPMSTGLQRG-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000443803634 315260071 /nfs/dbraw/zinc/26/00/71/315260071.db2.gz BDHFZNDIDRCNSR-QGZVFWFLSA-N 1 0 347.415 2.230 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000444612740 315311106 /nfs/dbraw/zinc/31/11/06/315311106.db2.gz IYMXFZQKRBZHIJ-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000452085217 315492357 /nfs/dbraw/zinc/49/23/57/315492357.db2.gz NRAWASMWLBMLAP-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000495894716 316159345 /nfs/dbraw/zinc/15/93/45/316159345.db2.gz OCPZSOSMQSIGIP-FVGKDHOHSA-N 1 0 346.387 2.479 20 5 EEBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000542911597 318147113 /nfs/dbraw/zinc/14/71/13/318147113.db2.gz JLNZVNIFMWJFCS-QGZVFWFLSA-N 1 0 343.383 2.189 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCC1 ZINC000546080379 318243872 /nfs/dbraw/zinc/24/38/72/318243872.db2.gz AOFVNWKNEOSQCP-UHFFFAOYSA-N 1 0 349.387 2.175 20 5 EEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548412245 318386715 /nfs/dbraw/zinc/38/67/15/318386715.db2.gz OTGZENBPFNRASS-UHFFFAOYSA-N 1 0 331.376 2.088 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548413227 318386915 /nfs/dbraw/zinc/38/69/15/318386915.db2.gz OIKVBZNWLCATBM-AWEZNQCLSA-N 1 0 331.376 2.131 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000548679880 318404316 /nfs/dbraw/zinc/40/43/16/318404316.db2.gz JNFHNVJACSSCGZ-SJKOYZFVSA-N 1 0 347.415 2.007 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000562402307 318878183 /nfs/dbraw/zinc/87/81/83/318878183.db2.gz VFEGUCFGVFMSQZ-BYCMXARLSA-N 1 0 337.445 2.202 20 5 EEBDRO C[NH+](C)CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000563362213 319000521 /nfs/dbraw/zinc/00/05/21/319000521.db2.gz BSUYIOZTDVUOJI-UHFFFAOYSA-N 1 0 344.415 2.432 20 5 EEBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000193822614 323491321 /nfs/dbraw/zinc/49/13/21/323491321.db2.gz AWZSQNAPBZRZAK-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000326381131 465038107 /nfs/dbraw/zinc/03/81/07/465038107.db2.gz IMLMWOBSZSUPNJ-HNNXBMFYSA-N 1 0 346.431 2.023 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O ZINC000351199105 465091009 /nfs/dbraw/zinc/09/10/09/465091009.db2.gz HHKIZVSZRKYQGG-ZFWWWQNUSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209136 465116045 /nfs/dbraw/zinc/11/60/45/465116045.db2.gz FYVLKAQINXTQFV-GDBMZVCRSA-N 1 0 333.432 2.459 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000351662456 465280283 /nfs/dbraw/zinc/28/02/83/465280283.db2.gz YDYZOCURWBPUIK-ZNMIVQPWSA-N 1 0 349.431 2.456 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1SC ZINC000590663598 468297413 /nfs/dbraw/zinc/29/74/13/468297413.db2.gz NSNFUSHXTXFKFR-CYBMUJFWSA-N 1 0 339.417 2.196 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000153104988 462615693 /nfs/dbraw/zinc/61/56/93/462615693.db2.gz WUIGSZDKKMSBGU-MLGOLLRUSA-N 1 0 334.372 2.462 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000114198510 462631826 /nfs/dbraw/zinc/63/18/26/462631826.db2.gz IDCUUNYLZUMXDX-LLVKDONJSA-N 1 0 340.811 2.070 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000088718023 462642870 /nfs/dbraw/zinc/64/28/70/462642870.db2.gz VRPYPIVVEWNGHC-MRXNPFEDSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cnc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643965 462702984 /nfs/dbraw/zinc/70/29/84/462702984.db2.gz MRLXZWXGTSTNHQ-CVEARBPZSA-N 1 0 342.399 2.346 20 5 EEBDRO Nc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000064550824 462709487 /nfs/dbraw/zinc/70/94/87/462709487.db2.gz CAICENHRGCLQRJ-LLVKDONJSA-N 1 0 348.432 2.353 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000075942916 462777346 /nfs/dbraw/zinc/77/73/46/462777346.db2.gz QIGMZIULCFYETA-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000076190340 462820402 /nfs/dbraw/zinc/82/04/02/462820402.db2.gz BHBBCYMGYPOYIF-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000066138221 462855017 /nfs/dbraw/zinc/85/50/17/462855017.db2.gz AGERWBJRCQXUBP-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000066137365 462855367 /nfs/dbraw/zinc/85/53/67/462855367.db2.gz YEBQPBAPPCCWRN-JTQLQIEISA-N 1 0 338.364 2.272 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000050993938 463015059 /nfs/dbraw/zinc/01/50/59/463015059.db2.gz XQMDUVYHQFWCNM-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000120762131 463035190 /nfs/dbraw/zinc/03/51/90/463035190.db2.gz MTRNYKNVAVXBKE-GFCCVEGCSA-N 1 0 341.433 2.060 20 5 EEBDRO C[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000023242121 463063235 /nfs/dbraw/zinc/06/32/35/463063235.db2.gz FBRAXIFLJQLFOQ-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000068442626 463138340 /nfs/dbraw/zinc/13/83/40/463138340.db2.gz LHBMJTQCFZZIBP-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000026156504 463152804 /nfs/dbraw/zinc/15/28/04/463152804.db2.gz JWOVGSMICPFNPS-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000026720155 463169989 /nfs/dbraw/zinc/16/99/89/463169989.db2.gz FAQBQAPTYYMAMU-CQSZACIVSA-N 1 0 334.401 2.470 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000079059240 463184909 /nfs/dbraw/zinc/18/49/09/463184909.db2.gz VRWPIDBBEJHSIM-CQSZACIVSA-N 1 0 338.408 2.382 20 5 EEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079083223 463186584 /nfs/dbraw/zinc/18/65/84/463186584.db2.gz RFKLARXNWDMTSJ-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000491290595 468342861 /nfs/dbraw/zinc/34/28/61/468342861.db2.gz GDAAWIYHNKJUBO-KXFIGUGUSA-N 1 0 333.363 2.490 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159715627 463301183 /nfs/dbraw/zinc/30/11/83/463301183.db2.gz RYMQFUOBALCDAI-UHFFFAOYSA-N 1 0 329.360 2.474 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142451090 463361393 /nfs/dbraw/zinc/36/13/93/463361393.db2.gz MSMJZHOVKOAAKV-OAHLLOKOSA-N 1 0 344.415 2.479 20 5 EEBDRO C[N@@H+](Cc1cccc(O)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080924848 463369055 /nfs/dbraw/zinc/36/90/55/463369055.db2.gz NFSIBXZCGORXED-MRXNPFEDSA-N 1 0 332.356 2.172 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000033084164 463412410 /nfs/dbraw/zinc/41/24/10/463412410.db2.gz UPNJDYALIJLMTC-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150875490 463443916 /nfs/dbraw/zinc/44/39/16/463443916.db2.gz VESWVKFWMOKJQO-ZDUSSCGKSA-N 1 0 325.384 2.369 20 5 EEBDRO C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162113717 463484630 /nfs/dbraw/zinc/48/46/30/463484630.db2.gz TYYDBVHOWAAPHO-SWLSCSKDSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000041630770 463498990 /nfs/dbraw/zinc/49/89/90/463498990.db2.gz IOMXQJBULGWMEE-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc21 ZINC000162781627 463537702 /nfs/dbraw/zinc/53/77/02/463537702.db2.gz DLBUQWOEAWEZCK-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083444102 463547596 /nfs/dbraw/zinc/54/75/96/463547596.db2.gz AQXWWYPLAUDQMB-UHFFFAOYSA-N 1 0 331.376 2.361 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522256639 468366112 /nfs/dbraw/zinc/36/61/12/468366112.db2.gz HQGIAZAJDXNHQC-GOSISDBHSA-N 1 0 341.367 2.170 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+](C)C1CC1 ZINC000152043919 463635899 /nfs/dbraw/zinc/63/58/99/463635899.db2.gz MHIIPBLMNNLNLN-LLVKDONJSA-N 1 0 328.372 2.356 20 5 EEBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380105 463700602 /nfs/dbraw/zinc/70/06/02/463700602.db2.gz QUTFMAJMVYOSRK-ZBEGNZNMSA-N 1 0 326.393 2.499 20 5 EEBDRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112547862 463703466 /nfs/dbraw/zinc/70/34/66/463703466.db2.gz CFVUSSMMLJWSFD-JTQLQIEISA-N 1 0 337.767 2.062 20 5 EEBDRO Nc1ccc([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000193461976 463715016 /nfs/dbraw/zinc/71/50/16/463715016.db2.gz SRJSVVWFXDBGOL-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269072996 463866417 /nfs/dbraw/zinc/86/64/17/463866417.db2.gz VGTMUOAMYMLNIA-IRXDYDNUSA-N 1 0 347.415 2.093 20 5 EEBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000171708282 463910598 /nfs/dbraw/zinc/91/05/98/463910598.db2.gz YLEZALNSVJEZRF-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194773036 463926393 /nfs/dbraw/zinc/92/63/93/463926393.db2.gz NJTCFJRCXLBSFT-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000178673066 463940235 /nfs/dbraw/zinc/94/02/35/463940235.db2.gz IEMYCLVXFVRFCR-CYBMUJFWSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000172247167 464028385 /nfs/dbraw/zinc/02/83/85/464028385.db2.gz SCGSTBRTLMOKDC-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590971674 468387645 /nfs/dbraw/zinc/38/76/45/468387645.db2.gz FFZYWCYOFKAMRG-LBPRGKRZSA-N 1 0 329.356 2.471 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172328400 464054625 /nfs/dbraw/zinc/05/46/25/464054625.db2.gz QAVBHVUYCIHXSW-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179136507 464065357 /nfs/dbraw/zinc/06/53/57/464065357.db2.gz ZRHOTTSPSXIYIY-ZDUSSCGKSA-N 1 0 349.387 2.259 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417611 464075992 /nfs/dbraw/zinc/07/59/92/464075992.db2.gz DNZBLCQPDJTZDF-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280770949 464250695 /nfs/dbraw/zinc/25/06/95/464250695.db2.gz YYSPNWQEINKYDJ-LLVKDONJSA-N 1 0 343.786 2.482 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1O ZINC000237270686 464294335 /nfs/dbraw/zinc/29/43/35/464294335.db2.gz WNFLDUIUIFNIRB-INIZCTEOSA-N 1 0 332.356 2.441 20 5 EEBDRO COc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000237265443 464294939 /nfs/dbraw/zinc/29/49/39/464294939.db2.gz PPDAFVBBQSIENH-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@H](O)[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264389322 464306570 /nfs/dbraw/zinc/30/65/70/464306570.db2.gz FFZBMFLBOGJNSK-IINYFYTJSA-N 1 0 341.795 2.422 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237434372 464319571 /nfs/dbraw/zinc/31/95/71/464319571.db2.gz JATMQWYLDXLOLF-DYVFJYSZSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237630719 464354380 /nfs/dbraw/zinc/35/43/80/464354380.db2.gz QTVOKLLZSVTNDK-CYBMUJFWSA-N 1 0 334.420 2.149 20 5 EEBDRO COC(=O)c1cnc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000292869913 464371467 /nfs/dbraw/zinc/37/14/67/464371467.db2.gz SWUZHNCOJYXMEL-UHFFFAOYSA-N 1 0 336.392 2.454 20 5 EEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000281296659 464405781 /nfs/dbraw/zinc/40/57/81/464405781.db2.gz PMBTXGBHGRXBRF-QGZVFWFLSA-N 1 0 336.388 2.387 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCOC1 ZINC000181733298 464523266 /nfs/dbraw/zinc/52/32/66/464523266.db2.gz ABSGBTHVPWBEQV-NSHDSACASA-N 1 0 325.340 2.031 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2nonc21 ZINC000265505430 464583409 /nfs/dbraw/zinc/58/34/09/464583409.db2.gz NYKHZNMDFPFQFF-NSHDSACASA-N 1 0 347.375 2.044 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285496262 464584590 /nfs/dbraw/zinc/58/45/90/464584590.db2.gz XEKNZPKIOPAFLZ-YOEHRIQHSA-N 1 0 346.387 2.285 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272481573 464626438 /nfs/dbraw/zinc/62/64/38/464626438.db2.gz GROPDOHPVQFPAO-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000272504202 464636296 /nfs/dbraw/zinc/63/62/96/464636296.db2.gz ODXFQBZELXOFTM-CXAGYDPISA-N 1 0 342.399 2.102 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281927226 464637977 /nfs/dbraw/zinc/63/79/77/464637977.db2.gz DAEBKCBNOHHTTA-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539139 464651425 /nfs/dbraw/zinc/65/14/25/464651425.db2.gz OSAGSCWWHZJOMB-KRWDZBQOSA-N 1 0 343.431 2.493 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294940777 464656351 /nfs/dbraw/zinc/65/63/51/464656351.db2.gz MPWKARKVRBGOBJ-NSHDSACASA-N 1 0 331.376 2.055 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265903913 464726300 /nfs/dbraw/zinc/72/63/00/464726300.db2.gz DSLYAJLJHJDHJM-UHFFFAOYSA-N 1 0 339.395 2.424 20 5 EEBDRO CC[N@H+](CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282184167 464727160 /nfs/dbraw/zinc/72/71/60/464727160.db2.gz WBRGZPHZVVEOTE-UHFFFAOYSA-N 1 0 349.387 2.123 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000295269303 464768500 /nfs/dbraw/zinc/76/85/00/464768500.db2.gz ARCGIRXLKCWUGR-VXGBXAGGSA-N 1 0 331.376 2.489 20 5 EEBDRO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457355 464774435 /nfs/dbraw/zinc/77/44/35/464774435.db2.gz PLGVXMAJHKWPQE-TZMCWYRMSA-N 1 0 336.417 2.223 20 5 EEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000286122795 464811869 /nfs/dbraw/zinc/81/18/69/464811869.db2.gz GUBSZXQXIAIXID-UHFFFAOYSA-N 1 0 337.424 2.218 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccsc2n1 ZINC000282428914 464815331 /nfs/dbraw/zinc/81/53/31/464815331.db2.gz JYKPIOHENJNEKT-UHFFFAOYSA-N 1 0 344.396 2.339 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176818406 464858395 /nfs/dbraw/zinc/85/83/95/464858395.db2.gz ZLAGPQIZUAZBSF-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO CC(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000249808968 464917709 /nfs/dbraw/zinc/91/77/09/464917709.db2.gz GYUPWVNSLKMTNE-JKIFEVAISA-N 1 0 349.431 2.345 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192477343 464932739 /nfs/dbraw/zinc/93/27/39/464932739.db2.gz MBMODWSWISQHDU-RWMBFGLXSA-N 1 0 335.429 2.095 20 5 EEBDRO CO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875939 464993534 /nfs/dbraw/zinc/99/35/34/464993534.db2.gz FXYNOJNKURMVBW-BBRMVZONSA-N 1 0 338.404 2.081 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268255763 464994437 /nfs/dbraw/zinc/99/44/37/464994437.db2.gz UEIIWVPUANIGDW-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022298 465023053 /nfs/dbraw/zinc/02/30/53/465023053.db2.gz PDXZLSYGJIDVGA-CJNGLKHVSA-N 1 0 332.404 2.366 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593911152 468430911 /nfs/dbraw/zinc/43/09/11/468430911.db2.gz FEEDZVXQQIGWFO-YQQAZPJKSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+](C)C ZINC000298353625 465371843 /nfs/dbraw/zinc/37/18/43/465371843.db2.gz NUDCBBQYWICUHO-AWEZNQCLSA-N 1 0 337.423 2.221 20 5 EEBDRO CO[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359231835 465387275 /nfs/dbraw/zinc/38/72/75/465387275.db2.gz QOTOKKWHXQJOBI-ZIAGYGMSSA-N 1 0 349.431 2.471 20 5 EEBDRO CO[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C[NH3+])C1 ZINC000359223568 465387323 /nfs/dbraw/zinc/38/73/23/465387323.db2.gz DSKINTCYYBWIPF-OLZOCXBDSA-N 1 0 349.412 2.388 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356454823 465392676 /nfs/dbraw/zinc/39/26/76/465392676.db2.gz FVDQKJKBEPJUAB-OAHLLOKOSA-N 1 0 348.447 2.412 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000356880727 465596109 /nfs/dbraw/zinc/59/61/09/465596109.db2.gz LAHWDHUUGBNQCV-UHFFFAOYSA-N 1 0 344.371 2.015 20 5 EEBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000348441275 465608602 /nfs/dbraw/zinc/60/86/02/465608602.db2.gz KMKBOVLVYVREDS-AWEZNQCLSA-N 1 0 339.392 2.193 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362330069 465659534 /nfs/dbraw/zinc/65/95/34/465659534.db2.gz MLFQXCDYFYFQRH-GJZGRUSLSA-N 1 0 346.431 2.258 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C ZINC000299325580 465697586 /nfs/dbraw/zinc/69/75/86/465697586.db2.gz PNLFYVDNQSDVPL-NSHDSACASA-N 1 0 339.417 2.369 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000299347672 465710120 /nfs/dbraw/zinc/71/01/20/465710120.db2.gz GGDYFWZBHWILHN-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000299347670 465710481 /nfs/dbraw/zinc/71/04/81/465710481.db2.gz GGDYFWZBHWILHN-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO CC(C)(C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079172 465750583 /nfs/dbraw/zinc/75/05/83/465750583.db2.gz KDNDLFDGINCREM-HOTGVXAUSA-N 1 0 331.416 2.377 20 5 EEBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000299463993 465758413 /nfs/dbraw/zinc/75/84/13/465758413.db2.gz YMQOFMSMMVNYHI-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO COc1ccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107997 465769491 /nfs/dbraw/zinc/76/94/91/465769491.db2.gz BOSGBIYZSPSFLR-SUMWQHHRSA-N 1 0 336.388 2.373 20 5 EEBDRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299559627 465801144 /nfs/dbraw/zinc/80/11/44/465801144.db2.gz XUXWMOKXPNXLJG-UHFFFAOYSA-N 1 0 338.364 2.190 20 5 EEBDRO CNc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179107 465819577 /nfs/dbraw/zinc/81/95/77/465819577.db2.gz OVBJKPHKOLXNSS-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)(C)CCN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348926939 465877219 /nfs/dbraw/zinc/87/72/19/465877219.db2.gz ZHEFYGZUIFPESA-UHFFFAOYSA-N 1 0 343.449 2.200 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000331039728 465909287 /nfs/dbraw/zinc/90/92/87/465909287.db2.gz POMMGWMRKARFOE-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166681 465953983 /nfs/dbraw/zinc/95/39/83/465953983.db2.gz SAOANSKCSPKOHI-JJRVBVJISA-N 1 0 331.416 2.326 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000301512891 465975901 /nfs/dbraw/zinc/97/59/01/465975901.db2.gz DNWIHWKMVPDVJR-JTQLQIEISA-N 1 0 341.209 2.427 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118018 465980247 /nfs/dbraw/zinc/98/02/47/465980247.db2.gz AYQSMNDCVAMPGY-BBRMVZONSA-N 1 0 343.387 2.083 20 5 EEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cn2)CC1 ZINC000338302710 465998048 /nfs/dbraw/zinc/99/80/48/465998048.db2.gz KFTXACGORAUMFY-UHFFFAOYSA-N 1 0 345.359 2.043 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 ZINC000301668822 466007101 /nfs/dbraw/zinc/00/71/01/466007101.db2.gz PNSZIGPGNHEQDH-OLZOCXBDSA-N 1 0 331.294 2.133 20 5 EEBDRO C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274169 466049756 /nfs/dbraw/zinc/04/97/56/466049756.db2.gz SBOPVTPHKSNZCG-SJCJKPOMSA-N 1 0 335.379 2.392 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000349379618 466090135 /nfs/dbraw/zinc/09/01/35/466090135.db2.gz CGTHMHKHLROFTH-WBMJQRKESA-N 1 0 330.388 2.198 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000304273431 466274620 /nfs/dbraw/zinc/27/46/20/466274620.db2.gz CFOFSMCPBZKOGI-OLMNPRSZSA-N 1 0 344.415 2.278 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357875118 466281639 /nfs/dbraw/zinc/28/16/39/466281639.db2.gz KVIMJSIWNSOLSZ-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000340779177 466330074 /nfs/dbraw/zinc/33/00/74/466330074.db2.gz OLPIDLSAXYGUDP-JSGCOSHPSA-N 1 0 328.372 2.200 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000332209202 466448208 /nfs/dbraw/zinc/44/82/08/466448208.db2.gz JIPRUYLPZFFHFV-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1C ZINC000332317224 466505449 /nfs/dbraw/zinc/50/54/49/466505449.db2.gz NSWJPLHZHNPTNL-BETUJISGSA-N 1 0 330.388 2.101 20 5 EEBDRO C[C@H](C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO)c1ccccc1 ZINC000347367230 466594169 /nfs/dbraw/zinc/59/41/69/466594169.db2.gz MKDPDPIHUMXIJF-CABCVRRESA-N 1 0 332.404 2.278 20 5 EEBDRO COc1cc(C[N@H+](C)C2(CCO)CCOCC2)c([N+](=O)[O-])cc1F ZINC000362182422 466607641 /nfs/dbraw/zinc/60/76/41/466607641.db2.gz QIBRDXHTYLEUNN-UHFFFAOYSA-N 1 0 342.367 2.106 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COCc2ccccc2F)c1 ZINC000324483090 466647584 /nfs/dbraw/zinc/64/75/84/466647584.db2.gz JKBHYLDPHTXYKM-INIZCTEOSA-N 1 0 334.347 2.401 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCC[NH2+]CC1 ZINC000364159733 466685346 /nfs/dbraw/zinc/68/53/46/466685346.db2.gz YXBPYSNIPGIWIE-OAHLLOKOSA-N 1 0 349.434 2.413 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423250452 466703962 /nfs/dbraw/zinc/70/39/62/466703962.db2.gz QGFLKJNHCFPZER-CZUORRHYSA-N 1 0 329.404 2.007 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423282050 466709011 /nfs/dbraw/zinc/70/90/11/466709011.db2.gz WHNFUJWRQCQINU-WMLDXEAASA-N 1 0 343.431 2.397 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972120 466953531 /nfs/dbraw/zinc/95/35/31/466953531.db2.gz PLFGNOCSNKKPHH-SGTLLEGYSA-N 1 0 347.415 2.277 20 5 EEBDRO CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365836487 466957916 /nfs/dbraw/zinc/95/79/16/466957916.db2.gz IPUIAFWWRLJXHJ-AWEZNQCLSA-N 1 0 338.408 2.406 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000424046184 466962379 /nfs/dbraw/zinc/96/23/79/466962379.db2.gz VHXNWWYUKGJUGX-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412017589 466967962 /nfs/dbraw/zinc/96/79/62/466967962.db2.gz ADUNOOFDKDNEOX-NSHDSACASA-N 1 0 337.376 2.089 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417940195 466995314 /nfs/dbraw/zinc/99/53/14/466995314.db2.gz LOYGTIQDJDYZGO-HNNXBMFYSA-N 1 0 334.420 2.215 20 5 EEBDRO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000418349151 467096418 /nfs/dbraw/zinc/09/64/18/467096418.db2.gz RUBDHUPTVPDYRP-GXTWGEPZSA-N 1 0 332.404 2.051 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377642064 467104177 /nfs/dbraw/zinc/10/41/77/467104177.db2.gz APXYNXBVGIJAGZ-QGZVFWFLSA-N 1 0 338.404 2.323 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000450952099 467214377 /nfs/dbraw/zinc/21/43/77/467214377.db2.gz RRELGRWMTAQPCY-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305126 467323581 /nfs/dbraw/zinc/32/35/81/467323581.db2.gz ZOISHQSQNSISOB-RISCZKNCSA-N 1 0 341.367 2.384 20 5 EEBDRO CCc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420237015 467327474 /nfs/dbraw/zinc/32/74/74/467327474.db2.gz FMKDBYGJIYTDJI-OKILXGFUSA-N 1 0 339.399 2.270 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000452144026 467335031 /nfs/dbraw/zinc/33/50/31/467335031.db2.gz BOVZJIXVIODXCP-LBPRGKRZSA-N 1 0 345.403 2.443 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000420279275 467336583 /nfs/dbraw/zinc/33/65/83/467336583.db2.gz PEYFBPSEYRUULW-CQSZACIVSA-N 1 0 344.371 2.451 20 5 EEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(F)c1 ZINC000413898376 467338396 /nfs/dbraw/zinc/33/83/96/467338396.db2.gz GHVWAVVWDZEDFA-UHFFFAOYSA-N 1 0 336.323 2.255 20 5 EEBDRO [NH3+]CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420304062 467345726 /nfs/dbraw/zinc/34/57/26/467345726.db2.gz ILBSKKLVIHZNLB-UHFFFAOYSA-N 1 0 342.399 2.384 20 5 EEBDRO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000429841185 467375644 /nfs/dbraw/zinc/37/56/44/467375644.db2.gz OQOYNWCBGDJYPZ-CYBMUJFWSA-N 1 0 331.416 2.473 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429892104 467378644 /nfs/dbraw/zinc/37/86/44/467378644.db2.gz NMZXYRKRXHNMIF-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430565823 467441832 /nfs/dbraw/zinc/44/18/32/467441832.db2.gz GPCUQHPCXVWJKA-GHMZBOCLSA-N 1 0 340.811 2.246 20 5 EEBDRO COc1ccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000400630934 467458365 /nfs/dbraw/zinc/45/83/65/467458365.db2.gz BUXJQDUIMKGENM-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435374355 467464221 /nfs/dbraw/zinc/46/42/21/467464221.db2.gz IDFLAJXNOHCYAG-AWEZNQCLSA-N 1 0 343.431 2.427 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000415113440 467492901 /nfs/dbraw/zinc/49/29/01/467492901.db2.gz UBKOISBOWRXERZ-SJORKVTESA-N 1 0 337.395 2.452 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930113 467518828 /nfs/dbraw/zinc/51/88/28/467518828.db2.gz BUXGLCIPOYBMFM-GXTWGEPZSA-N 1 0 335.404 2.182 20 5 EEBDRO CC/C=C/CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971422 467522956 /nfs/dbraw/zinc/52/29/56/467522956.db2.gz ICGADPVZTJJCQX-SNAWJCMRSA-N 1 0 341.433 2.161 20 5 EEBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000449573849 467665041 /nfs/dbraw/zinc/66/50/41/467665041.db2.gz UGGGCTPMJONSDA-NVXWUHKLSA-N 1 0 348.355 2.055 20 5 EEBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc2ccccc2c2cccnc12 ZINC000449709921 467696325 /nfs/dbraw/zinc/69/63/25/467696325.db2.gz KVEYDBPSVDJYGL-HNNXBMFYSA-N 1 0 335.407 2.496 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C[NH+](C)C ZINC000457203882 467776641 /nfs/dbraw/zinc/77/66/41/467776641.db2.gz IZVBQLSJNUCZKQ-JTQLQIEISA-N 1 0 343.811 2.472 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000458174657 467782844 /nfs/dbraw/zinc/78/28/44/467782844.db2.gz CGVAUQJNOVTARP-ZDUSSCGKSA-N 1 0 344.415 2.467 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458751697 467891587 /nfs/dbraw/zinc/89/15/87/467891587.db2.gz GQWLHMMNNODYPP-ZFWWWQNUSA-N 1 0 334.420 2.434 20 5 EEBDRO [NH3+]CC12CCC(CC1)CN2C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493587459 467943019 /nfs/dbraw/zinc/94/30/19/467943019.db2.gz QRPNGDXNOAQZQX-RQOWECAXSA-N 1 0 333.363 2.477 20 5 EEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143988 467998644 /nfs/dbraw/zinc/99/86/44/467998644.db2.gz YVPVSJIOQHAPTM-DGCLKSJQSA-N 1 0 347.375 2.256 20 5 EEBDRO C[NH+](C)CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486978749 468016556 /nfs/dbraw/zinc/01/65/56/468016556.db2.gz HCEIESHARXAJSQ-UHFFFAOYSA-N 1 0 331.376 2.423 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488689622 468097399 /nfs/dbraw/zinc/09/73/99/468097399.db2.gz RFFIFUVNQCXLIW-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@H](C)C1 ZINC000532240653 468104908 /nfs/dbraw/zinc/10/49/08/468104908.db2.gz VEOLJJYAJDOANE-KBPBESRZSA-N 1 0 334.420 2.243 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000567726714 468195552 /nfs/dbraw/zinc/19/55/52/468195552.db2.gz SMKUIRLGJNPRPX-NXHRZFHOSA-N 1 0 344.415 2.326 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199293 468510205 /nfs/dbraw/zinc/51/02/05/468510205.db2.gz JJWUDGSQWXHAPG-JKSUJKDBSA-N 1 0 333.388 2.107 20 5 EEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000570394653 468633557 /nfs/dbraw/zinc/63/35/57/468633557.db2.gz GULAFONVZKUHLP-TZMCWYRMSA-N 1 0 349.435 2.027 20 5 EEBDRO CC[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592332522 468678878 /nfs/dbraw/zinc/67/88/78/468678878.db2.gz ZOZUCEXRUJRVDH-CZUORRHYSA-N 1 0 334.420 2.373 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045066 468747722 /nfs/dbraw/zinc/74/77/22/468747722.db2.gz QUXPISABUFONJY-LLVKDONJSA-N 1 0 330.406 2.079 20 5 EEBDRO CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592831801 468799166 /nfs/dbraw/zinc/79/91/66/468799166.db2.gz OYCLYUUWXKWAHX-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000598265484 468811930 /nfs/dbraw/zinc/81/19/30/468811930.db2.gz TXMGLEXPAHZACP-LBPRGKRZSA-N 1 0 349.387 2.174 20 5 EEBDRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595417012 468845195 /nfs/dbraw/zinc/84/51/95/468845195.db2.gz WYQTULAHUMQGMS-GFCCVEGCSA-N 1 0 349.412 2.354 20 5 EEBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593056354 468854446 /nfs/dbraw/zinc/85/44/46/468854446.db2.gz GWAMCILTLZJKNY-UKRRQHHQSA-N 1 0 338.404 2.224 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470376 468866099 /nfs/dbraw/zinc/86/60/99/468866099.db2.gz UQNYSJQBZZYEFE-CQSZACIVSA-N 1 0 334.420 2.309 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000601427788 468869055 /nfs/dbraw/zinc/86/90/55/468869055.db2.gz HIICIHLSPFSOFG-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CN(CC[NH+]1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593113056 468875623 /nfs/dbraw/zinc/87/56/23/468875623.db2.gz WGWCAWHDHAYXQT-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593188882 468898525 /nfs/dbraw/zinc/89/85/25/468898525.db2.gz DRZWSLBRZUPQGN-HBNTYKKESA-N 1 0 331.376 2.024 20 5 EEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000601536126 468910457 /nfs/dbraw/zinc/91/04/57/468910457.db2.gz TWOXMRJDQQGMMN-GFCCVEGCSA-N 1 0 331.303 2.422 20 5 EEBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595670808 468947410 /nfs/dbraw/zinc/94/74/10/468947410.db2.gz DMKGQBCKTQBLJT-BBRMVZONSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595672349 468948646 /nfs/dbraw/zinc/94/86/46/468948646.db2.gz ICBSKGXPPJQNHC-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595747479 468985059 /nfs/dbraw/zinc/98/50/59/468985059.db2.gz DXNZQUDVSJPYIT-QGZVFWFLSA-N 1 0 343.431 2.040 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791916 469012157 /nfs/dbraw/zinc/01/21/57/469012157.db2.gz YCZQMWSRFJDYJQ-DOTOQJQBSA-N 1 0 347.415 2.475 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602778740 469068851 /nfs/dbraw/zinc/06/88/51/469068851.db2.gz LDQIGLGSWXXLDR-CQSZACIVSA-N 1 0 329.404 2.035 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596088130 469149225 /nfs/dbraw/zinc/14/92/25/469149225.db2.gz XUFLBIIXXBMWJR-UHFFFAOYSA-N 1 0 334.420 2.250 20 5 EEBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596092422 469152413 /nfs/dbraw/zinc/15/24/13/469152413.db2.gz VNTKUSDKBDZJLS-ZDUSSCGKSA-N 1 0 333.388 2.349 20 5 EEBDRO O=C1[C@H]([NH+]2CCC3(CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611177721 469183323 /nfs/dbraw/zinc/18/33/23/469183323.db2.gz KDGBFCNIFZTHKV-MRXNPFEDSA-N 1 0 345.399 2.203 20 5 EEBDRO CC[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602983886 469205641 /nfs/dbraw/zinc/20/56/41/469205641.db2.gz WNPYMXZOCOTMJR-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO Cn1cc(C[N@H+](C)C[C@@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589198259 469211037 /nfs/dbraw/zinc/21/10/37/469211037.db2.gz XKUUBECTZSYHQQ-MRXNPFEDSA-N 1 0 330.388 2.198 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nncn2CC)cc1[N+](=O)[O-] ZINC000611335999 469230706 /nfs/dbraw/zinc/23/07/06/469230706.db2.gz HYPJFUICOTYSGT-LBPRGKRZSA-N 1 0 333.392 2.498 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000564913758 469263069 /nfs/dbraw/zinc/26/30/69/469263069.db2.gz ZHFMVKIGLDKVEJ-CXAGYDPISA-N 1 0 343.387 2.831 20 5 EEBDRO COC(=O)[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])Cc2ccccc21 ZINC000599680392 469335217 /nfs/dbraw/zinc/33/52/17/469335217.db2.gz LRDOQCVCQXLDNU-CYBMUJFWSA-N 1 0 331.328 2.164 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(C3CC3)CC2)n1 ZINC000616008172 469352848 /nfs/dbraw/zinc/35/28/48/469352848.db2.gz WBZRGTXORKYOHO-CVEARBPZSA-N 1 0 333.436 2.491 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000602597433 469378511 /nfs/dbraw/zinc/37/85/11/469378511.db2.gz CTGBZUPBXTYETA-UKRRQHHQSA-N 1 0 346.431 2.393 20 5 EEBDRO CC[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000616866043 469526479 /nfs/dbraw/zinc/52/64/79/469526479.db2.gz JDIGGXFWBZTMSZ-MRXNPFEDSA-N 1 0 337.376 2.091 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609386590 469924758 /nfs/dbraw/zinc/92/47/58/469924758.db2.gz XXSZUQUKSUMOTI-DZGCQCFKSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000609631851 469952073 /nfs/dbraw/zinc/95/20/73/469952073.db2.gz JGPADNZVJPDBJP-UHFFFAOYSA-N 1 0 332.404 2.012 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610112095 469981738 /nfs/dbraw/zinc/98/17/38/469981738.db2.gz VYVIQMRPEMVJID-UHFFFAOYSA-N 1 0 325.434 2.487 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000610391145 470009930 /nfs/dbraw/zinc/00/99/30/470009930.db2.gz XJHIVGFQRNJNTA-SFHVURJKSA-N 1 0 343.383 2.339 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000595830106 485610283 /nfs/dbraw/zinc/61/02/83/485610283.db2.gz AAPPFIVGHFRCOU-AWEZNQCLSA-N 1 0 333.388 2.048 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602803573 490687223 /nfs/dbraw/zinc/68/72/23/490687223.db2.gz CTRDRHKFEWVYGF-BSNNYGBQSA-N 1 0 336.417 2.188 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185594517 490693630 /nfs/dbraw/zinc/69/36/30/490693630.db2.gz TYVQHZNOWUIURI-XHDPSFHLSA-N 1 0 341.367 2.348 20 5 EEBDRO CCOc1cc(C(=O)NC2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000131726390 528220315 /nfs/dbraw/zinc/22/03/15/528220315.db2.gz CFAOTJXUQYNUAL-UHFFFAOYSA-N 1 0 337.376 2.002 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429130748 535075210 /nfs/dbraw/zinc/07/52/10/535075210.db2.gz AQXRWAXRPOTKOM-MWLCHTKSSA-N 1 0 329.784 2.115 20 5 EEBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266063651 535648876 /nfs/dbraw/zinc/64/88/76/535648876.db2.gz WJHNSPNSHIIXFG-SJORKVTESA-N 1 0 334.416 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000731678772 577116040 /nfs/dbraw/zinc/11/60/40/577116040.db2.gz PIFXRJCJUBPPEA-OAHLLOKOSA-N 1 0 330.340 2.189 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000731809291 577126176 /nfs/dbraw/zinc/12/61/76/577126176.db2.gz SSSMYIYRIQUUJI-STQMWFEESA-N 1 0 348.359 2.168 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000776590480 577463630 /nfs/dbraw/zinc/46/36/30/577463630.db2.gz GPNSQXNJSASFLF-ROUUACIJSA-N 1 0 328.368 2.052 20 5 EEBDRO CC(=O)N1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000764640394 577740603 /nfs/dbraw/zinc/74/06/03/577740603.db2.gz WBHUINVBESRDBQ-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO Cc1nn(C[N@H+](C)CCc2nccs2)c2ncc([N+](=O)[O-])cc12 ZINC000753810500 577794186 /nfs/dbraw/zinc/79/41/86/577794186.db2.gz DVNVGMURFILZCG-UHFFFAOYSA-N 1 0 332.389 2.236 20 5 EEBDRO Cn1cc(C[C@@H]2CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000747461263 577944794 /nfs/dbraw/zinc/94/47/94/577944794.db2.gz PANVJUAIOLAECE-ZDUSSCGKSA-N 1 0 340.387 2.200 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821599001 599061852 /nfs/dbraw/zinc/06/18/52/599061852.db2.gz BMSQCZNLHBOFNL-CYBMUJFWSA-N 1 0 345.407 2.086 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000175953790 676354898 /nfs/dbraw/zinc/35/48/98/676354898.db2.gz BZWYENMZNXLRPW-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncs1 ZINC001021872464 676529694 /nfs/dbraw/zinc/52/96/94/676529694.db2.gz ILJZXCZOJUQDBD-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022032118 676597821 /nfs/dbraw/zinc/59/78/21/676597821.db2.gz QBHJMIMUEBDYGZ-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO CC1(C)CC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000891608689 676720343 /nfs/dbraw/zinc/72/03/43/676720343.db2.gz XGRFGHLFRZAZMG-CQSZACIVSA-N 1 0 334.420 2.215 20 5 EEBDRO Cn1c2ccccc2c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1=O ZINC000891781969 676829064 /nfs/dbraw/zinc/82/90/64/676829064.db2.gz OBNJNTJDLZMEAY-LBPRGKRZSA-N 1 0 342.399 2.343 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000892106470 678010276 /nfs/dbraw/zinc/01/02/76/678010276.db2.gz VVWMDNNCUICVRS-TZMCWYRMSA-N 1 0 337.420 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000896857948 685409004 /nfs/dbraw/zinc/40/90/04/685409004.db2.gz YAOIAETYQZOLFZ-OAHLLOKOSA-N 1 0 347.415 2.006 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000892860397 683143339 /nfs/dbraw/zinc/14/33/39/683143339.db2.gz FLYIKKMOSMEWBQ-UHFFFAOYSA-N 1 0 337.424 2.023 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000892932827 683206292 /nfs/dbraw/zinc/20/62/92/683206292.db2.gz NCFQVEWZHBWIAE-UHFFFAOYSA-N 1 0 334.420 2.392 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC000983735402 683218396 /nfs/dbraw/zinc/21/83/96/683218396.db2.gz FOKPGGSVSDSDEB-MJHDQNEOSA-N 1 0 334.401 2.283 20 5 EEBDRO Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025671063 683230473 /nfs/dbraw/zinc/23/04/73/683230473.db2.gz FQQNQBLXMBXODW-FVQHAEBGSA-N 1 0 341.367 2.356 20 5 EEBDRO O=C(C=C1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025733125 683256272 /nfs/dbraw/zinc/25/62/72/683256272.db2.gz FDVVTPQMNKUMPQ-VQFNDLOPSA-N 1 0 327.384 2.252 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893186867 684094067 /nfs/dbraw/zinc/09/40/67/684094067.db2.gz HMZGDIODKKVVKS-UONOGXRCSA-N 1 0 334.420 2.482 20 5 EEBDRO C[C@H](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000895297742 684462124 /nfs/dbraw/zinc/46/21/24/684462124.db2.gz NRCQNDVCVAHFCS-CYBMUJFWSA-N 1 0 331.420 2.425 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C ZINC000893547669 694344674 /nfs/dbraw/zinc/34/46/74/694344674.db2.gz AAKYLEALRXDIHC-BETUJISGSA-N 1 0 333.388 2.078 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC([NH3+])CC1 ZINC000237477433 691447872 /nfs/dbraw/zinc/44/78/72/691447872.db2.gz VTBXQSQIBXJXBC-OIKLOGQESA-N 1 0 341.795 2.402 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000893484663 692308022 /nfs/dbraw/zinc/30/80/22/692308022.db2.gz NXPNFQOTHZUHFA-AWEZNQCLSA-N 1 0 347.444 2.358 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001105519192 1188136476 /nfs/dbraw/zinc/13/64/76/1188136476.db2.gz FEIJKGGRACXKSB-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000843791718 1188221384 /nfs/dbraw/zinc/22/13/84/1188221384.db2.gz SZZQHOLJBBRVJV-UHFFFAOYSA-N 1 0 343.811 2.207 20 5 EEBDRO COc1ccc(Cn2cc(C[N@H+](C)C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC000905792463 1189918604 /nfs/dbraw/zinc/91/86/04/1189918604.db2.gz DFZKULLINMMOMC-UHFFFAOYSA-N 1 0 333.392 2.474 20 5 EEBDRO COC(=O)c1cc(-c2cnn(CC3CC[NH2+]CC3)c2)cc([N+](=O)[O-])c1 ZINC000863716359 1197831682 /nfs/dbraw/zinc/83/16/82/1197831682.db2.gz TZPRIJCJSQHSNF-UHFFFAOYSA-N 1 0 344.371 2.245 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c(C(F)F)c1 ZINC000865554891 1198274619 /nfs/dbraw/zinc/27/46/19/1198274619.db2.gz OKWDWNJGQXJYJN-UHFFFAOYSA-N 1 0 329.347 2.427 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124473574 1198550410 /nfs/dbraw/zinc/55/04/10/1198550410.db2.gz VQAUQHKLRRVJDM-CYBMUJFWSA-N 1 0 349.840 2.290 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000810315568 1199448900 /nfs/dbraw/zinc/44/89/00/1199448900.db2.gz BVAGSSSEVOTAQF-CABCVRRESA-N 1 0 348.403 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000877833488 1200136068 /nfs/dbraw/zinc/13/60/68/1200136068.db2.gz WZCGWKPUSUGQSX-JCHJZTRSSA-N 1 0 342.395 2.382 20 5 EEBDRO 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O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934699041 1208011703 /nfs/dbraw/zinc/01/17/03/1208011703.db2.gz SDBORNMOASTWEW-CRAIPNDOSA-N 1 0 343.383 2.470 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000155287753 1208322784 /nfs/dbraw/zinc/32/27/84/1208322784.db2.gz BXSBEYPSDCFAKZ-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO O=C(NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001111310205 1210113044 /nfs/dbraw/zinc/11/30/44/1210113044.db2.gz QPORGLJNSKSPIT-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001020045676 1229456553 /nfs/dbraw/zinc/45/65/53/1229456553.db2.gz HZQADJMHSQEKQM-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119359870 1229495550 /nfs/dbraw/zinc/49/55/50/1229495550.db2.gz UAZHQAPFTCMLMU-LLVKDONJSA-N 1 0 347.462 2.199 20 5 EEBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001095956227 1232562376 /nfs/dbraw/zinc/56/23/76/1232562376.db2.gz YILOYFNJISHVJU-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900711319 1234690718 /nfs/dbraw/zinc/69/07/18/1234690718.db2.gz PSLWMWVKXRTDJZ-SECBINFHSA-N 1 0 329.759 2.411 20 5 EEBDRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001046840998 1235239271 /nfs/dbraw/zinc/23/92/71/1235239271.db2.gz GFHPLFJLZNCQSK-SAZUREKKSA-N 1 0 346.431 2.243 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801971536 1236566870 /nfs/dbraw/zinc/56/68/70/1236566870.db2.gz LENURUOLCQDBHR-CQSZACIVSA-N 1 0 338.383 2.166 20 5 EEBDRO Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001001398506 1242194945 /nfs/dbraw/zinc/19/49/45/1242194945.db2.gz GBQYOKFMRSVYFC-HUUCEWRRSA-N 1 0 337.445 2.050 20 5 EEBDRO Cc1nc[nH]c1CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001057351772 1243408105 /nfs/dbraw/zinc/40/81/05/1243408105.db2.gz 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C[NH+]1CCN(c2cncc(Nc3cc(O)cc([N+](=O)[O-])c3)c2)CC1 ZINC001199828602 1285870882 /nfs/dbraw/zinc/87/08/82/1285870882.db2.gz OERWPCVZIQSQCS-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO CNC(=O)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000853115758 1292287871 /nfs/dbraw/zinc/28/78/71/1292287871.db2.gz CPGFNJUPNAOLMN-MRXNPFEDSA-N 1 0 349.431 2.304 20 5 EEBDRO COc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853460267 1292390324 /nfs/dbraw/zinc/39/03/24/1292390324.db2.gz FAOIAWPWUFKXDT-DZGCQCFKSA-N 1 0 325.434 2.394 20 5 EEBDRO COCC[N@@H+]1CC[C@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856729684 1293608358 /nfs/dbraw/zinc/60/83/58/1293608358.db2.gz PRTODAAHJOLANA-JTQLQIEISA-N 1 0 344.209 2.490 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857763884 1293910664 /nfs/dbraw/zinc/91/06/64/1293910664.db2.gz AHRPERVTUVCOGJ-NSHDSACASA-N 1 0 343.330 2.024 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000857878786 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DIAIHHRJOZOCEI-NEPJUHHUSA-N 1 0 345.359 2.090 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1n[nH]c(=O)c3ccc([N+](=O)[O-])cc31)C2 ZINC001229360391 1302745987 /nfs/dbraw/zinc/74/59/87/1302745987.db2.gz KGZXJRTZSGKUQA-IAZYJMLFSA-N 1 0 330.344 2.248 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(O)cc1-c1ccccc1 ZINC001229972802 1303005152 /nfs/dbraw/zinc/00/51/52/1303005152.db2.gz JTRPJDSHUBAMRZ-MRXNPFEDSA-O 1 0 330.404 2.422 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000780865245 1303710429 /nfs/dbraw/zinc/71/04/29/1303710429.db2.gz FLSHXFMFALMDHE-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CCC1 ZINC001111811063 1303924717 /nfs/dbraw/zinc/92/47/17/1303924717.db2.gz FKWJPKKTCQMYQX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=[N+]([O-])c1cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001233859910 1304618312 /nfs/dbraw/zinc/61/83/12/1304618312.db2.gz RRRRZSUBCFDZLO-MRXNPFEDSA-N 1 0 329.356 2.270 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC001233863563 1304619319 /nfs/dbraw/zinc/61/93/19/1304619319.db2.gz KDXFOUMSKOLAQB-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001234410092 1304912014 /nfs/dbraw/zinc/91/20/14/1304912014.db2.gz IZNODWUWRSNYMX-INIZCTEOSA-N 1 0 334.372 2.173 20 5 EEBDRO C[N@H+](CCCNC(=O)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001235044021 1305095748 /nfs/dbraw/zinc/09/57/48/1305095748.db2.gz QETVVEAXCOGROU-UHFFFAOYSA-N 1 0 333.310 2.485 20 5 EEBDRO COc1ccc(C[C@@H](C)N2CCC(F)(F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558108 1310340633 /nfs/dbraw/zinc/34/06/33/1310340633.db2.gz ONTZVPKFAXOLCV-YPMHNXCESA-N 1 0 343.374 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC(O)([C@H]3CCCC[NH2+]3)C1)CC2 ZINC001246901642 1310463451 /nfs/dbraw/zinc/46/34/51/1310463451.db2.gz YTFWQHSSADDRIU-FUHWJXTLSA-N 1 0 345.443 2.031 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831722008 1314608815 /nfs/dbraw/zinc/60/88/15/1314608815.db2.gz QDDVZWMFAROQDI-KGLIPLIRSA-N 1 0 332.404 2.029 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000843077594 1315836490 /nfs/dbraw/zinc/83/64/90/1315836490.db2.gz SVKIUNCLPBHBJG-SJLPKXTDSA-N 1 0 330.384 2.384 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000843114350 1315846040 /nfs/dbraw/zinc/84/60/40/1315846040.db2.gz RMRGEKQRXYXWIG-FUHWJXTLSA-N 1 0 330.384 2.212 20 5 EEBDRO C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@H]1CCC[NH2+]C1 ZINC000843191306 1315863868 /nfs/dbraw/zinc/86/38/68/1315863868.db2.gz CZDUUAGBRAYYMQ-RYUDHWBXSA-N 1 0 331.376 2.142 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C)([NH3+])CC1 ZINC000843376127 1315903511 /nfs/dbraw/zinc/90/35/11/1315903511.db2.gz YNZSMHRVWCQWJD-SNVBAGLBSA-N 1 0 340.811 2.388 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843376902 1315903945 /nfs/dbraw/zinc/90/39/45/1315903945.db2.gz GOLMZRFEFBYCFT-ZWNOBZJWSA-N 1 0 340.811 2.246 20 5 EEBDRO O=C(COCc1ccccc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150746700 1316361020 /nfs/dbraw/zinc/36/10/20/1316361020.db2.gz BTXRTGACXCMJRH-UHFFFAOYSA-N 1 0 343.383 2.017 20 5 EEBDRO CCC(=O)NC1(CCOC)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001150848291 1316393527 /nfs/dbraw/zinc/39/35/27/1316393527.db2.gz LDPKCZOIDXAOAK-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001154723408 1317281488 /nfs/dbraw/zinc/28/14/88/1317281488.db2.gz JKSXQXVDQSZIRA-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO [NH2+]=c1ccc2nc3c(cc(NC[C@H](O)CO)c4ccccc43)oc-2c1 ZINC001252066424 1317549040 /nfs/dbraw/zinc/54/90/40/1317549040.db2.gz ABRUFGWREYYINW-LBPRGKRZSA-N 1 0 335.363 2.330 20 5 EEBDRO Cc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001155523170 1317636229 /nfs/dbraw/zinc/63/62/29/1317636229.db2.gz NKDGQHPQSDAXIZ-MRRJBJDNSA-N 1 0 342.399 2.488 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001155549135 1317647417 /nfs/dbraw/zinc/64/74/17/1317647417.db2.gz HYOQYVYFYMXWMJ-OLZOCXBDSA-N 1 0 329.360 2.217 20 5 EEBDRO COc1cccc(N(c2cc([N+](=O)[O-])cc[n+]2[O-])C2CC[NH2+]CC2)c1 ZINC001155604683 1317670777 /nfs/dbraw/zinc/67/07/77/1317670777.db2.gz MXCBQXQSSHJAML-UHFFFAOYSA-N 1 0 344.371 2.127 20 5 EEBDRO COc1cnc(NCc2cccnc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155999431 1317823671 /nfs/dbraw/zinc/82/36/71/1317823671.db2.gz CBPBQRRKAIJCFT-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001254479243 1318083713 /nfs/dbraw/zinc/08/37/13/1318083713.db2.gz UNYAJPVVZLKDNQ-GOSISDBHSA-N 1 0 330.432 2.344 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001254544821 1318117085 /nfs/dbraw/zinc/11/70/85/1318117085.db2.gz LCFMIIYLRLIRIP-UKRRQHHQSA-N 1 0 327.388 2.184 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1N1CCOCC1 ZINC001254548229 1318119250 /nfs/dbraw/zinc/11/92/50/1318119250.db2.gz LRMGJBKIEADDEO-HFTRVMKXSA-N 1 0 333.432 2.369 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)C2 ZINC001254571751 1318126038 /nfs/dbraw/zinc/12/60/38/1318126038.db2.gz BFOPJDBUJNPCJC-DOTOQJQBSA-N 1 0 328.368 2.092 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(O)CCOc3ccccc31)C2 ZINC001254580146 1318129720 /nfs/dbraw/zinc/12/97/20/1318129720.db2.gz ZGGBHQRIDFDUJR-HNAYVOBHSA-N 1 0 340.379 2.322 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254580046 1318129801 /nfs/dbraw/zinc/12/98/01/1318129801.db2.gz ADHPMAQCHLYHIE-YOEHRIQHSA-N 1 0 341.367 2.351 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254588415 1318134731 /nfs/dbraw/zinc/13/47/31/1318134731.db2.gz FTWZNYMAMCTLGY-AWEZNQCLSA-N 1 0 327.340 2.033 20 5 EEBDRO CC1(N2CCOCC2)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603829 1318139804 /nfs/dbraw/zinc/13/98/04/1318139804.db2.gz RBCBKCAALMURMZ-GOSISDBHSA-N 1 0 345.443 2.249 20 5 EEBDRO CCOC(=O)C1(F)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600015 1318139990 /nfs/dbraw/zinc/13/99/90/1318139990.db2.gz OMJBDMTYSYEXPL-OAHLLOKOSA-N 1 0 336.363 2.429 20 5 EEBDRO CC(C)(C(N)=O)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603061 1318140211 /nfs/dbraw/zinc/14/02/11/1318140211.db2.gz LDKXPRMWVLPQBX-INIZCTEOSA-N 1 0 331.416 2.286 20 5 EEBDRO COc1cc2ncnc(N3C[C@H]4CCC[N@H+](C)[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001157265620 1318531610 /nfs/dbraw/zinc/53/16/10/1318531610.db2.gz KGDIHVQODPILPL-ABAIWWIYSA-N 1 0 343.387 2.077 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC001256084263 1318642115 /nfs/dbraw/zinc/64/21/15/1318642115.db2.gz XRDQIHSZFNGYTN-UHFFFAOYSA-N 1 0 345.403 2.096 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@H](O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100464 1318646485 /nfs/dbraw/zinc/64/64/85/1318646485.db2.gz GKFXFGYPZXSYON-IRXDYDNUSA-N 1 0 349.431 2.321 20 5 EEBDRO [NH3+]C[C@@]1(F)CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001157817261 1318881944 /nfs/dbraw/zinc/88/19/44/1318881944.db2.gz SWYADMBZSOMQON-HNNXBMFYSA-N 1 0 335.314 2.068 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001157987114 1318960120 /nfs/dbraw/zinc/96/01/20/1318960120.db2.gz ONUHVEGTIOHZMZ-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO CC(C)(C)CC(C)(C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158187803 1319065936 /nfs/dbraw/zinc/06/59/36/1319065936.db2.gz IYNJTHSWIUZNFZ-UHFFFAOYSA-N 1 0 336.440 2.421 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N3CCO[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC001158310278 1319166912 /nfs/dbraw/zinc/16/69/12/1319166912.db2.gz XXNWPFQLUYGEOA-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO CCc1ccnc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001158684029 1319376826 /nfs/dbraw/zinc/37/68/26/1319376826.db2.gz SVOSPMMSPXXHBH-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CCCn1nccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001158961288 1319531394 /nfs/dbraw/zinc/53/13/94/1319531394.db2.gz WAHPKAYJUUPZQE-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)O1 ZINC001159243766 1319703512 /nfs/dbraw/zinc/70/35/12/1319703512.db2.gz UFIFHTAODYHGOP-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO [NH3+]C[C@@]1(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CN2CCC1CC2 ZINC001160509875 1320179617 /nfs/dbraw/zinc/17/96/17/1320179617.db2.gz CAYCYQQZVRCAAH-CYBMUJFWSA-N 1 0 346.218 2.132 20 5 EEBDRO COc1cc(C)nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738527 1320254113 /nfs/dbraw/zinc/25/41/13/1320254113.db2.gz KLFIRACGCDOSRT-DTWKUNHWSA-N 1 0 334.298 2.259 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001162732898 1320943654 /nfs/dbraw/zinc/94/36/54/1320943654.db2.gz IEFKAEWKSNWIQB-NSHDSACASA-N 1 0 344.799 2.186 20 5 EEBDRO COC(=O)[C@@H](Nc1nccc2c1ccc(C)c2[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162941858 1320991995 /nfs/dbraw/zinc/99/19/95/1320991995.db2.gz DOYZTLUMISHKNM-CYBMUJFWSA-N 1 0 332.360 2.142 20 5 EEBDRO O=[N+]([O-])c1cc(Br)nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162984601 1321005025 /nfs/dbraw/zinc/00/50/25/1321005025.db2.gz LIXSHHZXLHERLR-JOYOIKCWSA-N 1 0 327.182 2.449 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163069923 1321027938 /nfs/dbraw/zinc/02/79/38/1321027938.db2.gz RYNHSEXLUSLCIC-INIZCTEOSA-N 1 0 340.383 2.447 20 5 EEBDRO CSCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163304707 1321092088 /nfs/dbraw/zinc/09/20/88/1321092088.db2.gz RQEWEWRCDJKEJY-UHFFFAOYSA-N 1 0 337.445 2.334 20 5 EEBDRO Cc1c[n+]([O-])c(NCc2cccnc2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001163905435 1321244167 /nfs/dbraw/zinc/24/41/67/1321244167.db2.gz RKYHPMFTNSSXDM-UHFFFAOYSA-N 1 0 343.387 2.011 20 5 EEBDRO COc1ccnc(NCc2cccnc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163905895 1321244687 /nfs/dbraw/zinc/24/46/87/1321244687.db2.gz WALYGKYBDGUYLE-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@](C)(C[NH3+])CC1 ZINC001164247275 1321329737 /nfs/dbraw/zinc/32/97/37/1321329737.db2.gz IIFGHRCTFFZKRE-INIZCTEOSA-N 1 0 336.392 2.122 20 5 EEBDRO Cc1cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165269853 1321487736 /nfs/dbraw/zinc/48/77/36/1321487736.db2.gz SRMFXTKUIQXZMJ-HOTGVXAUSA-N 1 0 328.372 2.019 20 5 EEBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001165330277 1321501825 /nfs/dbraw/zinc/50/18/25/1321501825.db2.gz YALXEAGRONPYPE-MEDUHNTESA-N 1 0 329.335 2.118 20 5 EEBDRO Cc1cc(Cl)nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165429610 1321524423 /nfs/dbraw/zinc/52/44/23/1321524423.db2.gz JWFSVERDXLPHAZ-UWVGGRQHSA-N 1 0 328.775 2.465 20 5 EEBDRO COCc1nn(-c2ncc([N+](=O)[O-])c3ccccc32)c2c1C[NH2+]C2 ZINC001165631612 1321555761 /nfs/dbraw/zinc/55/57/61/1321555761.db2.gz CYFJFDIRQDNUKI-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO CN1CCc2c(sc(Nc3ccccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC001206140579 1323403510 /nfs/dbraw/zinc/40/35/10/1323403510.db2.gz YHIPQSGECQFSDU-UHFFFAOYSA-N 1 0 332.385 2.487 20 5 EEBDRO O=[N+]([O-])c1c(N2CC([NH2+][C@@H]3CCOC3)C2)cccc1C(F)(F)F ZINC001307217814 1331519240 /nfs/dbraw/zinc/51/92/40/1331519240.db2.gz UHKGBNCWBRJCOH-SECBINFHSA-N 1 0 331.294 2.181 20 5 EEBDRO Cn1ccnc1[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC001307879832 1331554202 /nfs/dbraw/zinc/55/42/02/1331554202.db2.gz WPMXTVDSDWKVGU-HNNXBMFYSA-N 1 0 348.403 2.057 20 5 EEBDRO O=C1[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C1CC1 ZINC001318942731 1332626933 /nfs/dbraw/zinc/62/69/33/1332626933.db2.gz GRUGJFGNVYWBRT-QGZVFWFLSA-N 1 0 345.399 2.201 20 5 EEBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+](C)C ZINC001609093097 1351840146 /nfs/dbraw/zinc/84/01/46/1351840146.db2.gz OZZYESOEHJUXQI-GFCCVEGCSA-N 1 0 333.396 2.163 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001325373667 1333874820 /nfs/dbraw/zinc/87/48/20/1333874820.db2.gz YCAOIKKYYXLDLZ-DZGCQCFKSA-N 1 0 334.420 2.482 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329114902 1334588398 /nfs/dbraw/zinc/58/83/98/1334588398.db2.gz RGRAKYQBBXFAQQ-LDYMZIIASA-N 1 0 331.294 2.239 20 5 EEBDRO CS[C@H]1CCCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609370229 1351949162 /nfs/dbraw/zinc/94/91/62/1351949162.db2.gz YOEOIQGZCJXWIR-ZDUSSCGKSA-N 1 0 348.432 2.492 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001332027489 1335709131 /nfs/dbraw/zinc/70/91/31/1335709131.db2.gz NLPNDLVYFASBAK-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)N1CC[NH+](C)CC1 ZINC001333361436 1336019574 /nfs/dbraw/zinc/01/95/74/1336019574.db2.gz PEPUXDYDYWMFBK-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341979835 1337306482 /nfs/dbraw/zinc/30/64/82/1337306482.db2.gz BYOCCDHTKIDTSE-JFIYKMOQSA-N 1 0 329.400 2.443 20 5 EEBDRO COc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001345073903 1337423832 /nfs/dbraw/zinc/42/38/32/1337423832.db2.gz DENBDPPZISFMCJ-LLVKDONJSA-N 1 0 334.376 2.375 20 5 EEBDRO C[C@H](O)CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000847103190 1337868218 /nfs/dbraw/zinc/86/82/18/1337868218.db2.gz ZWEAWMPLKOPXOW-VIFPVBQESA-N 1 0 327.768 2.032 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481426 1338706014 /nfs/dbraw/zinc/70/60/14/1338706014.db2.gz CWUBYKOSLBFXLT-KRWDZBQOSA-N 1 0 344.371 2.301 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c1 ZINC001579242498 1344357820 /nfs/dbraw/zinc/35/78/20/1344357820.db2.gz PUNJLAWPRMSLMX-YVEFUNNKSA-N 1 0 333.388 2.195 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001579459427 1344385174 /nfs/dbraw/zinc/38/51/74/1344385174.db2.gz AFCDPOWFDNHODS-RQJHMYQMSA-N 1 0 348.222 2.004 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC001580265038 1344503570 /nfs/dbraw/zinc/50/35/70/1344503570.db2.gz BODDGNHPUXHWLM-NSHDSACASA-N 1 0 326.356 2.270 20 5 EEBDRO CC[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001590445584 1349327504 /nfs/dbraw/zinc/32/75/04/1349327504.db2.gz FDMVLABBCFOTKO-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590731831 1349392933 /nfs/dbraw/zinc/39/29/33/1349392933.db2.gz DNGGPBNBMJFVFQ-ZDUSSCGKSA-N 1 0 345.407 2.370 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603897182 1350798197 /nfs/dbraw/zinc/79/81/97/1350798197.db2.gz CXNYTTGRYYUUCF-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605722850 1351217995 /nfs/dbraw/zinc/21/79/95/1351217995.db2.gz COVCLEXSBKLKOC-TZMCWYRMSA-N 1 0 343.391 2.122 20 5 EEBDRO C[N@H+](C[C@@H]1CC1(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853628184 1369361879 /nfs/dbraw/zinc/36/18/79/1369361879.db2.gz OXBDCWLSKOHOFT-LBPRGKRZSA-N 1 0 346.387 2.299 20 5 EEBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H](O)c1ccccc1 ZINC000794606361 1369583236 /nfs/dbraw/zinc/58/32/36/1369583236.db2.gz QVKXEZPVOZPGGL-QZTJIDSGSA-N 1 0 345.399 2.104 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095357242 1369699344 /nfs/dbraw/zinc/69/93/44/1369699344.db2.gz HAULZJGHEPWXSL-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931308750 1369888244 /nfs/dbraw/zinc/88/82/44/1369888244.db2.gz VBSTWRSMICKCIN-FSPWUOQZSA-N 1 0 346.431 2.195 20 5 EEBDRO C[C@H](c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123508541 1372148434 /nfs/dbraw/zinc/14/84/34/1372148434.db2.gz JAAPKSATBANKTF-UKRRQHHQSA-N 1 0 348.451 2.090 20 5 EEBDRO CN(C)c1ncccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001347178514 1372973692 /nfs/dbraw/zinc/97/36/92/1372973692.db2.gz IDFPNRUXVMTWKG-UHFFFAOYSA-N 1 0 330.392 2.089 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001575730675 1403557508 /nfs/dbraw/zinc/55/75/08/1403557508.db2.gz GPNMUZRSBWMPHN-UHFFFAOYSA-N 1 0 331.319 2.314 20 5 EEBDRO C[C@@H]1C[C@@H](CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001576599196 1403589068 /nfs/dbraw/zinc/58/90/68/1403589068.db2.gz QODWPCSTWLSUJW-IIYDPXPESA-N 1 0 335.404 2.090 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC001580268426 1403855601 /nfs/dbraw/zinc/85/56/01/1403855601.db2.gz GMVHNLDFJWEJNL-KWQFWETISA-N 1 0 332.282 2.196 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)n2)c1 ZINC000246255169 1405714145 /nfs/dbraw/zinc/71/41/45/1405714145.db2.gz ITCCHJUAZZPJOX-HOCLYGCPSA-N 1 0 343.387 2.312 20 5 EEBDRO Nc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001167086814 757231986 /nfs/dbraw/zinc/23/19/86/757231986.db2.gz BZZPTTARBOXADG-UHFFFAOYSA-N 1 0 327.319 2.301 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167205540 757498181 /nfs/dbraw/zinc/49/81/81/757498181.db2.gz LGYBACCEBBHRMU-WBMJQRKESA-N 1 0 345.790 2.016 20 5 EEBDRO CCc1oncc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167462404 759675831 /nfs/dbraw/zinc/67/58/31/759675831.db2.gz SBTPPPYGTDSHOL-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO O=C(NCC1C[NH+](C/C=C/c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662751 770736102 /nfs/dbraw/zinc/73/61/02/770736102.db2.gz LAULWWLDQQUBLT-PKUCDIRRSA-N 1 0 349.818 2.066 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000920863986 770873400 /nfs/dbraw/zinc/87/34/00/770873400.db2.gz GIXXCHNNDXZIDO-KRWDZBQOSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CC[NH3+] ZINC000846693525 790416540 /nfs/dbraw/zinc/41/65/40/790416540.db2.gz IKCAEKVQAREVMU-FZMZJTMJSA-N 1 0 339.367 2.089 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4nonc4c3)C2)nc1 ZINC000846827728 790608233 /nfs/dbraw/zinc/60/82/33/790608233.db2.gz XBFIGINVYJOCLE-LBPRGKRZSA-N 1 0 340.343 2.212 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCC[NH+](C)C ZINC001106926737 779053946 /nfs/dbraw/zinc/05/39/46/779053946.db2.gz VHWHJFHSPCWQEF-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000818008405 785163993 /nfs/dbraw/zinc/16/39/93/785163993.db2.gz GCRIFHXDOCUZCZ-ZIAGYGMSSA-N 1 0 346.431 2.252 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535305 785277329 /nfs/dbraw/zinc/27/73/29/785277329.db2.gz HHSNLDRRSFOVST-UHFFFAOYSA-N 1 0 343.383 2.425 20 5 EEBDRO CC(C)CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818981780 785348955 /nfs/dbraw/zinc/34/89/55/785348955.db2.gz WHHQEAVBOYZQBV-QGZVFWFLSA-N 1 0 349.431 2.255 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000819059283 785381078 /nfs/dbraw/zinc/38/10/78/785381078.db2.gz FEEJRPFMQQFQQH-WWGRRREGSA-N 1 0 335.404 2.007 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107203707 786393570 /nfs/dbraw/zinc/39/35/70/786393570.db2.gz ABOKYGFJSPXTSS-WAYWQWQTSA-N 1 0 338.383 2.160 20 5 EEBDRO O=C(NC/C=C\CNc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC001107592479 787799171 /nfs/dbraw/zinc/79/91/71/787799171.db2.gz GRRCMBHKFZHFIL-UPHRSURJSA-N 1 0 344.415 2.308 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000823770862 787928894 /nfs/dbraw/zinc/92/88/94/787928894.db2.gz JVMVEJLCHRNKOY-HIFRSBDPSA-N 1 0 349.412 2.109 20 5 EEBDRO CC[NH+](CC)CC1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825504268 788657190 /nfs/dbraw/zinc/65/71/90/788657190.db2.gz VTPMNNXZPGCBCV-KRWDZBQOSA-N 1 0 349.431 2.209 20 5 EEBDRO C[NH+](C)C1(C)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000913400330 788840834 /nfs/dbraw/zinc/84/08/34/788840834.db2.gz VOSUSLQRBJCYGJ-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163863486 789037484 /nfs/dbraw/zinc/03/74/84/789037484.db2.gz FJQSUMCEXAJYLZ-LLVKDONJSA-N 1 0 347.412 2.051 20 5 EEBDRO O=C(C1=CCOCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000991547391 789385774 /nfs/dbraw/zinc/38/57/74/789385774.db2.gz JHPUFYPSUWLQQF-UHFFFAOYSA-N 1 0 345.399 2.022 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000923438394 789547898 /nfs/dbraw/zinc/54/78/98/789547898.db2.gz ZBMZWKFQKOXORH-SRVKXCTJSA-N 1 0 338.383 2.133 20 5 EEBDRO CC(C)(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224373 790015276 /nfs/dbraw/zinc/01/52/76/790015276.db2.gz QSSSQHXTSZWVQD-HUUCEWRRSA-N 1 0 325.453 2.306 20 5 EEBDRO CC(=O)Nc1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1[N+](=O)[O-] ZINC001171323395 792216580 /nfs/dbraw/zinc/21/65/80/792216580.db2.gz KVQDQBMKUNASEQ-UHFFFAOYSA-N 1 0 325.328 2.351 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171324725 792275597 /nfs/dbraw/zinc/27/55/97/792275597.db2.gz JXVQKNPTRNDTOU-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089944231 795113786 /nfs/dbraw/zinc/11/37/86/795113786.db2.gz TVMNDMIEMJNKDN-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110148761 795631349 /nfs/dbraw/zinc/63/13/49/795631349.db2.gz UVURLRPQMIAUGN-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093753259 795658639 /nfs/dbraw/zinc/65/86/39/795658639.db2.gz PLTXRPLCAOZOJM-UHFFFAOYSA-N 1 0 347.350 2.037 20 5 EEBDRO CCOCCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001127379581 796277711 /nfs/dbraw/zinc/27/77/11/796277711.db2.gz MVBYUBYUZSZFMW-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)C[NH+](CC)CC ZINC001106776176 796511093 /nfs/dbraw/zinc/51/10/93/796511093.db2.gz VMKRNQZBSMDIPC-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO [NH3+]C[C@@H]1CCCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010323 797196049 /nfs/dbraw/zinc/19/60/49/797196049.db2.gz FVUFDMCIVSJZGE-LBPRGKRZSA-N 1 0 340.374 2.265 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C(N)=O)CCCC2)c1F ZINC001173176520 797277142 /nfs/dbraw/zinc/27/71/42/797277142.db2.gz HQSNWYCQRMEBBM-JTQLQIEISA-N 1 0 339.367 2.061 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCC(=O)N(C)C)c1F ZINC001173194942 797283824 /nfs/dbraw/zinc/28/38/24/797283824.db2.gz BAVMYHHLJKCLSF-NSHDSACASA-N 1 0 341.383 2.084 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001173222117 797303872 /nfs/dbraw/zinc/30/38/72/797303872.db2.gz UMBPGZJSHCURJQ-UKRRQHHQSA-N 1 0 327.388 2.184 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001095248767 797589967 /nfs/dbraw/zinc/58/99/67/797589967.db2.gz UXYLYTSXNYKSAU-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO Cn1nc(Br)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000691585685 799097249 /nfs/dbraw/zinc/09/72/49/799097249.db2.gz KGMFCHMDTDGLJJ-UHFFFAOYSA-N 1 0 339.193 2.423 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)/C=C\C1CC1 ZINC001178110401 799271573 /nfs/dbraw/zinc/27/15/73/799271573.db2.gz ZJXWXBJITDKEHK-HJWRWDBZSA-N 1 0 349.435 2.061 20 5 EEBDRO CCOC(CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OCC ZINC000786830393 806895030 /nfs/dbraw/zinc/89/50/30/806895030.db2.gz BNULCUYNOWOWNS-UHFFFAOYSA-N 1 0 340.376 2.245 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922589047 801416109 /nfs/dbraw/zinc/41/61/09/801416109.db2.gz GIKBXWQDWWYLQR-CQSZACIVSA-N 1 0 327.812 2.449 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001086289702 802680485 /nfs/dbraw/zinc/68/04/85/802680485.db2.gz FOTFQOLZCOUFEH-CTYIDZIISA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncs1 ZINC001086317746 802732190 /nfs/dbraw/zinc/73/21/90/802732190.db2.gz ANVKZRVXURWGDJ-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc([N+](=O)[O-])c4cnccc43)n2)c1 ZINC001168883703 803500662 /nfs/dbraw/zinc/50/06/62/803500662.db2.gz CFUOZXFGRVZFEN-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964198 803552219 /nfs/dbraw/zinc/55/22/19/803552219.db2.gz RTTKWOHKWQGIAU-REWJHTLYSA-N 1 0 327.425 2.277 20 5 EEBDRO O=C1NCCCN1c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168998039 803563944 /nfs/dbraw/zinc/56/39/44/803563944.db2.gz HPEDBGMFZLNJEG-CABCVRRESA-N 1 0 332.404 2.141 20 5 EEBDRO Cc1cc(C)nc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169048279 803594472 /nfs/dbraw/zinc/59/44/72/803594472.db2.gz UDQWYXXVBGQRLE-GOEBONIOSA-N 1 0 333.436 2.097 20 5 EEBDRO O=C1CC2(CN1CC1CC1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169053194 803595840 /nfs/dbraw/zinc/59/58/40/803595840.db2.gz HYGGXQIVHSHXEE-CVEARBPZSA-N 1 0 335.448 2.156 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC000791296018 809159451 /nfs/dbraw/zinc/15/94/51/809159451.db2.gz CDZSCVQBYDPNGG-MRXNPFEDSA-N 1 0 346.362 2.349 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170329078 809893315 /nfs/dbraw/zinc/89/33/15/809893315.db2.gz OCNQVTNZYQLUBP-CYBMUJFWSA-N 1 0 335.404 2.089 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC001170340463 809914667 /nfs/dbraw/zinc/91/46/67/809914667.db2.gz LWNHHNVVQPFUMJ-FZKQIMNGSA-N 1 0 347.415 2.137 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC001170351421 809920185 /nfs/dbraw/zinc/92/01/85/809920185.db2.gz BYRLOGVSWHKPDX-UKRRQHHQSA-N 1 0 345.403 2.463 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccn2c1CCCC2 ZINC001129697111 810959739 /nfs/dbraw/zinc/95/97/39/810959739.db2.gz HKCKRDCLQDXNBJ-UHFFFAOYSA-N 1 0 342.399 2.252 20 5 EEBDRO Cn1cc(Cl)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131075647 812374041 /nfs/dbraw/zinc/37/40/41/812374041.db2.gz QLUIYSYEFRXRLU-UHFFFAOYSA-N 1 0 336.779 2.106 20 5 EEBDRO CCc1cncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001131368364 812727231 /nfs/dbraw/zinc/72/72/31/812727231.db2.gz RSBZGOWOVSPQQK-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001131601457 813017337 /nfs/dbraw/zinc/01/73/37/813017337.db2.gz PCVILULINNGKMD-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO C[N@H+](CCC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001593737026 954344331 /nfs/dbraw/zinc/34/43/31/954344331.db2.gz NFXKMSOSGJKIMD-UHFFFAOYSA-N 1 0 349.431 2.256 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993045 1120253112 /nfs/dbraw/zinc/25/31/12/1120253112.db2.gz GGRFRIKOZLVQBC-ZIAGYGMSSA-N 1 0 338.456 2.192 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780332 290580170 /nfs/dbraw/zinc/58/01/70/290580170.db2.gz CDUYXIZUTQCMHF-HUUCEWRRSA-N 1 0 335.404 2.386 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186776808 236015978 /nfs/dbraw/zinc/01/59/78/236015978.db2.gz LEGROPNTIBUKIZ-XJKSGUPXSA-N 1 0 346.431 2.313 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000189565923 237030335 /nfs/dbraw/zinc/03/03/35/237030335.db2.gz JNLBCPVNNKUWAS-DZGCQCFKSA-N 1 0 347.415 2.468 20 5 EEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000249097898 201180407 /nfs/dbraw/zinc/18/04/07/201180407.db2.gz IUZXVABBJSGHQK-JDSLSITLSA-N 1 0 335.404 2.305 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418768547 239322488 /nfs/dbraw/zinc/32/24/88/239322488.db2.gz OXCLSACISBKNRS-UONOGXRCSA-N 1 0 332.404 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2sccc2Cl)cc1 ZINC000193107676 240023948 /nfs/dbraw/zinc/02/39/48/240023948.db2.gz NFSAHACSLCCGFK-TZMCWYRMSA-N 1 0 342.804 2.494 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1[NH+](C)C ZINC000421790008 240024443 /nfs/dbraw/zinc/02/44/43/240024443.db2.gz CFQIPGJVJFMSFY-GJZGRUSLSA-N 1 0 337.445 2.329 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000422776691 240220720 /nfs/dbraw/zinc/22/07/20/240220720.db2.gz BANCQHZABOWOCK-SNVBAGLBSA-N 1 0 329.809 2.209 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422867683 240264826 /nfs/dbraw/zinc/26/48/26/240264826.db2.gz SXYCOFXZIOKSRK-NHYWBVRUSA-N 1 0 349.387 2.019 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000193700772 240270831 /nfs/dbraw/zinc/27/08/31/240270831.db2.gz CEKXSOFAJNMTKM-BZNIZROVSA-N 1 0 329.356 2.469 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000193935842 240369714 /nfs/dbraw/zinc/36/97/14/240369714.db2.gz UTYDBUHYKXEUSN-INIZCTEOSA-N 1 0 325.368 2.268 20 5 EEBDRO C[NH+](C)[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447818429 242322553 /nfs/dbraw/zinc/32/25/53/242322553.db2.gz XARCTOUNWPRRHH-GOSISDBHSA-N 1 0 348.447 2.179 20 5 EEBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000451705188 243218064 /nfs/dbraw/zinc/21/80/64/243218064.db2.gz HYPPSSMAXZOGOK-INIZCTEOSA-N 1 0 343.431 2.245 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451699577 243213536 /nfs/dbraw/zinc/21/35/36/243213536.db2.gz VTQLKCYJLNBPLB-KEYYUXOJSA-N 1 0 347.415 2.406 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592682 243170061 /nfs/dbraw/zinc/17/00/61/243170061.db2.gz AFHMDVKOPCNKPG-KBXCAEBGSA-N 1 0 347.415 2.228 20 5 EEBDRO CNc1c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000452174626 243361665 /nfs/dbraw/zinc/36/16/65/243361665.db2.gz QOTBBFVVQNSCDB-LBPRGKRZSA-N 1 0 332.404 2.193 20 5 EEBDRO CNc1nc(C(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000456038807 244137247 /nfs/dbraw/zinc/13/72/47/244137247.db2.gz VIUNVYJCJSGPSG-UHFFFAOYSA-N 1 0 335.408 2.027 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434373 203252996 /nfs/dbraw/zinc/25/29/96/203252996.db2.gz BDKUVJGDEOOUPR-DTWKUNHWSA-N 1 0 329.198 2.316 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000236899940 204088834 /nfs/dbraw/zinc/08/88/34/204088834.db2.gz LNRXMIDJACVIAX-JTQLQIEISA-N 1 0 349.840 2.352 20 5 EEBDRO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000104575089 204111963 /nfs/dbraw/zinc/11/19/63/204111963.db2.gz WUGDEAMHILZIDY-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000236927979 204122208 /nfs/dbraw/zinc/12/22/08/204122208.db2.gz ALSGUPJKNFHNNV-LLVKDONJSA-N 1 0 339.392 2.249 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(N3CCOCC3)s2)cc1 ZINC000105448144 204148020 /nfs/dbraw/zinc/14/80/20/204148020.db2.gz QQIQIUNBAJIWKZ-UHFFFAOYSA-N 1 0 348.428 2.220 20 5 EEBDRO CSCC[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000126333717 205050940 /nfs/dbraw/zinc/05/09/40/205050940.db2.gz ZQJWAORQBLOEBQ-OCCSQVGLSA-N 1 0 328.434 2.408 20 5 EEBDRO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000127994089 205127845 /nfs/dbraw/zinc/12/78/45/205127845.db2.gz VDXXWTIJQRLGJR-HIFRSBDPSA-N 1 0 331.372 2.423 20 5 EEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCC[C@H]1O ZINC000245554276 205142443 /nfs/dbraw/zinc/14/24/43/205142443.db2.gz SBTXIIIRZABJKC-BLLLJJGKSA-N 1 0 336.388 2.444 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000133350551 205364872 /nfs/dbraw/zinc/36/48/72/205364872.db2.gz UCTYALKKZVGMRE-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO O=C(Nc1ccccc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157577378 206144825 /nfs/dbraw/zinc/14/48/25/206144825.db2.gz BVLNWHVYOIEBRJ-UHFFFAOYSA-N 1 0 343.387 2.142 20 5 EEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000157429542 206135387 /nfs/dbraw/zinc/13/53/87/206135387.db2.gz PPPSAKDOYWVYRL-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000264333260 246362547 /nfs/dbraw/zinc/36/25/47/246362547.db2.gz XJIDSNLYBORFCF-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000159708390 206259557 /nfs/dbraw/zinc/25/95/57/206259557.db2.gz HZJFBXFIPAKWOB-MRXNPFEDSA-N 1 0 327.384 2.464 20 5 EEBDRO CC[C@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000159898215 206269562 /nfs/dbraw/zinc/26/95/62/206269562.db2.gz NHXGGYUQZFVGFS-NEPJUHHUSA-N 1 0 341.383 2.024 20 5 EEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264807797 246928170 /nfs/dbraw/zinc/92/81/70/246928170.db2.gz VTKFGZHQNPMBCH-GFCCVEGCSA-N 1 0 325.384 2.263 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000160496618 206299822 /nfs/dbraw/zinc/29/98/22/206299822.db2.gz OBIPXGDXISHHMN-ZJUUUORDSA-N 1 0 327.331 2.476 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000266000231 248015949 /nfs/dbraw/zinc/01/59/49/248015949.db2.gz KVLDEXLNWWWMKQ-QGZVFWFLSA-N 1 0 330.388 2.237 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000266642782 248395082 /nfs/dbraw/zinc/39/50/82/248395082.db2.gz UXHIOSPMIFUBLD-KGLIPLIRSA-N 1 0 334.420 2.195 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000174384497 207016653 /nfs/dbraw/zinc/01/66/53/207016653.db2.gz PGIZMOPPFPOUBY-AWEZNQCLSA-N 1 0 346.431 2.433 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000174639796 207039863 /nfs/dbraw/zinc/03/98/63/207039863.db2.gz PDXMCHKGHAADCA-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288458 207211293 /nfs/dbraw/zinc/21/12/93/207211293.db2.gz OSYNDPBXHQRDBT-DAOPMYJZSA-N 1 0 336.417 2.222 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269110147 255530171 /nfs/dbraw/zinc/53/01/71/255530171.db2.gz IETDOFDKZZXMHH-MRVPVSSYSA-N 1 0 346.156 2.060 20 5 EEBDRO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000272837922 256243036 /nfs/dbraw/zinc/24/30/36/256243036.db2.gz NYGCFLOEAOPFGI-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273558336 256306953 /nfs/dbraw/zinc/30/69/53/256306953.db2.gz BFZBGMKTZGCTJU-HNNXBMFYSA-N 1 0 327.388 2.343 20 5 EEBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276067751 256399991 /nfs/dbraw/zinc/39/99/91/256399991.db2.gz CWXYVTDIIIHOCV-UHFFFAOYSA-N 1 0 343.449 2.166 20 5 EEBDRO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000340157333 296505877 /nfs/dbraw/zinc/50/58/77/296505877.db2.gz ROYGLANWRPTXLS-CJNGLKHVSA-N 1 0 334.420 2.373 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000356577914 141020189 /nfs/dbraw/zinc/02/01/89/141020189.db2.gz LQQSIZWWJHOJCK-UHFFFAOYSA-N 1 0 348.447 2.085 20 5 EEBDRO CC[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000117306911 292236604 /nfs/dbraw/zinc/23/66/04/292236604.db2.gz BIMPXFORJKVIFX-WAVCKPEOSA-N 1 0 347.415 2.177 20 5 EEBDRO C[NH2+]CCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000121028445 292260448 /nfs/dbraw/zinc/26/04/48/292260448.db2.gz XKDBKLSITFSOLO-ZDUSSCGKSA-N 1 0 334.420 2.170 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262570433 152292819 /nfs/dbraw/zinc/29/28/19/152292819.db2.gz GYTRBEOPKGAPOU-VIFPVBQESA-N 1 0 347.293 2.018 20 5 EEBDRO Cc1nn(C)c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000098097783 159249925 /nfs/dbraw/zinc/24/99/25/159249925.db2.gz ONDJQVBGWUDVPM-UHFFFAOYSA-N 1 0 337.424 2.021 20 5 EEBDRO Cc1c(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000186525255 160073552 /nfs/dbraw/zinc/07/35/52/160073552.db2.gz CYNGFXYBPTXALP-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO O=C(CN1CCC[C@H](c2cc[nH]n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000193850707 160188040 /nfs/dbraw/zinc/18/80/40/160188040.db2.gz OEGQVCRMZYDODN-LBPRGKRZSA-N 1 0 329.360 2.136 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000247308516 160319398 /nfs/dbraw/zinc/31/93/98/160319398.db2.gz LUFRRACMFUMSSS-SUMWQHHRSA-N 1 0 333.388 2.343 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920301 161024188 /nfs/dbraw/zinc/02/41/88/161024188.db2.gz JDGSVBZQMSTILH-STQMWFEESA-N 1 0 326.418 2.379 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000344116633 161199784 /nfs/dbraw/zinc/19/97/84/161199784.db2.gz OIQPMMMRSOZOGB-JCGIZDLHSA-N 1 0 347.415 2.210 20 5 EEBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000346645055 161388357 /nfs/dbraw/zinc/38/83/57/161388357.db2.gz NTXZRTUGWDJIGP-LBPRGKRZSA-N 1 0 327.812 2.137 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000352089991 162064899 /nfs/dbraw/zinc/06/48/99/162064899.db2.gz TXVIHPVDVWKJPC-BXUZGUMPSA-N 1 0 329.360 2.175 20 5 EEBDRO COc1c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000355306386 163138288 /nfs/dbraw/zinc/13/82/88/163138288.db2.gz FWMGBBLWQWLJRY-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000355306385 163139123 /nfs/dbraw/zinc/13/91/23/163139123.db2.gz FWMGBBLWQWLJRY-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1cccnc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355712615 163278455 /nfs/dbraw/zinc/27/84/55/163278455.db2.gz CTMJLZHPBWJMLJ-QGZVFWFLSA-N 1 0 328.372 2.039 20 5 EEBDRO COC(=O)COc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000355728690 163283347 /nfs/dbraw/zinc/28/33/47/163283347.db2.gz DSVMWGSXVOETLO-ZIAGYGMSSA-N 1 0 334.372 2.379 20 5 EEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000355791521 163302664 /nfs/dbraw/zinc/30/26/64/163302664.db2.gz UENUUEAIQFAJFB-UHFFFAOYSA-N 1 0 343.449 2.334 20 5 EEBDRO CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000358915167 164015175 /nfs/dbraw/zinc/01/51/75/164015175.db2.gz NUNZEYUNESTAOL-VHSXEESVSA-N 1 0 329.784 2.130 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000359996530 164211899 /nfs/dbraw/zinc/21/18/99/164211899.db2.gz XBRNXDGGCGBBBU-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000369434525 166261234 /nfs/dbraw/zinc/26/12/34/166261234.db2.gz DGGWGHPKJQMPJS-UYTYNIKBSA-N 1 0 343.427 2.069 20 5 EEBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC000272643904 269002960 /nfs/dbraw/zinc/00/29/60/269002960.db2.gz CYKPRFZWVNBKNW-LBPRGKRZSA-N 1 0 342.399 2.385 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000275160650 269099398 /nfs/dbraw/zinc/09/93/98/269099398.db2.gz OLGZCZVCTMWECR-GZMMTYOYSA-N 1 0 342.193 2.085 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000277357305 269149966 /nfs/dbraw/zinc/14/99/66/269149966.db2.gz BRLNFBIAZJNKSS-GZMMTYOYSA-N 1 0 342.193 2.085 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277624882 269164386 /nfs/dbraw/zinc/16/43/86/269164386.db2.gz WOHLGWCYWFNKHG-GFCCVEGCSA-N 1 0 335.408 2.017 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC=CCC1 ZINC000280185863 269336313 /nfs/dbraw/zinc/33/63/13/269336313.db2.gz IKJGJIONIMOKFE-UHFFFAOYSA-N 1 0 332.360 2.225 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000281674403 269439771 /nfs/dbraw/zinc/43/97/71/269439771.db2.gz UEOBEAWRZDURRS-UKRRQHHQSA-N 1 0 347.415 2.271 20 5 EEBDRO COc1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1O ZINC000449503500 274094658 /nfs/dbraw/zinc/09/46/58/274094658.db2.gz IEKOEFSHRKFBTF-CXAGYDPISA-N 1 0 336.388 2.196 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000278086700 274330569 /nfs/dbraw/zinc/33/05/69/274330569.db2.gz XPSBRXYCGJFNPG-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000163953443 274563980 /nfs/dbraw/zinc/56/39/80/274563980.db2.gz LKFUVFRHKOBTEA-IUCAKERBSA-N 1 0 329.198 2.173 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969921 274922823 /nfs/dbraw/zinc/92/28/23/274922823.db2.gz IJISQSBFAPIQRK-CHWSQXEVSA-N 1 0 326.418 2.379 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000267179496 276073765 /nfs/dbraw/zinc/07/37/65/276073765.db2.gz BHRWCVZSFUKDDQ-ZDUSSCGKSA-N 1 0 348.403 2.329 20 5 EEBDRO Cc1c(C(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293709757 293276359 /nfs/dbraw/zinc/27/63/59/293276359.db2.gz JCISTPRERVFDAK-VIFPVBQESA-N 1 0 338.364 2.047 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293808027 293300195 /nfs/dbraw/zinc/30/01/95/293300195.db2.gz AMYCGIUQEUFKBY-KRWDZBQOSA-N 1 0 343.387 2.029 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C2)C1 ZINC000293982425 293343256 /nfs/dbraw/zinc/34/32/56/293343256.db2.gz VRLOYKYIJMKYLI-HNNXBMFYSA-N 1 0 325.315 2.041 20 5 EEBDRO CCCCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295276894 293668903 /nfs/dbraw/zinc/66/89/03/293668903.db2.gz KBYDVCAMZITYGS-HUUCEWRRSA-N 1 0 337.420 2.330 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296283980 293935828 /nfs/dbraw/zinc/93/58/28/293935828.db2.gz OXCLEYNIERQSHI-WQVCFCJDSA-N 1 0 336.388 2.385 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301941556 294913206 /nfs/dbraw/zinc/91/32/06/294913206.db2.gz UXHUFIVXALTBTC-CHWSQXEVSA-N 1 0 332.408 2.417 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237989041 295267049 /nfs/dbraw/zinc/26/70/49/295267049.db2.gz RZKQATRIEDINFK-CABCVRRESA-N 1 0 346.431 2.442 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237934242 303402363 /nfs/dbraw/zinc/40/23/63/303402363.db2.gz KJXBOCUWYJQNKL-GXSJLCMTSA-N 1 0 347.824 2.044 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCO[C@@H]2CCOC2)n1 ZINC000351503191 304811577 /nfs/dbraw/zinc/81/15/77/304811577.db2.gz PFNULBFQGNPPKF-QLFBSQMISA-N 1 0 338.408 2.060 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000331721665 311896770 /nfs/dbraw/zinc/89/67/70/311896770.db2.gz TUIKAJYJDVNQCH-MRXNPFEDSA-N 1 0 347.415 2.279 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332408876 312002828 /nfs/dbraw/zinc/00/28/28/312002828.db2.gz DZHFPOHYDXHJGO-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357077771 312399508 /nfs/dbraw/zinc/39/95/08/312399508.db2.gz LAZKJXMFOSHXOL-HIFRSBDPSA-N 1 0 346.431 2.243 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1OC ZINC000414177312 312979107 /nfs/dbraw/zinc/97/91/07/312979107.db2.gz FZXOLFWCEAAEQD-SCRDCRAPSA-N 1 0 326.418 2.469 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414349823 313001884 /nfs/dbraw/zinc/00/18/84/313001884.db2.gz ZLDCUOOYYSNETB-OAHLLOKOSA-N 1 0 326.418 2.387 20 5 EEBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000414949462 313112965 /nfs/dbraw/zinc/11/29/65/313112965.db2.gz NMDFBMHYFSZSLE-LLVKDONJSA-N 1 0 344.318 2.397 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414951847 313114130 /nfs/dbraw/zinc/11/41/30/313114130.db2.gz QEWFWJCJKOKTTN-RKDXNWHRSA-N 1 0 344.318 2.445 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000414962511 313116859 /nfs/dbraw/zinc/11/68/59/313116859.db2.gz ZSWVEOQKEJGGPB-WCBMZHEXSA-N 1 0 344.318 2.397 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417128897 313431217 /nfs/dbraw/zinc/43/12/17/313431217.db2.gz JMXFFDLHXKARHZ-XFBWCDHKSA-N 1 0 332.404 2.343 20 5 EEBDRO C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000417707989 313572270 /nfs/dbraw/zinc/57/22/70/313572270.db2.gz BMCFKLWJLSTRNE-BBRMVZONSA-N 1 0 334.420 2.296 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000417711373 313573599 /nfs/dbraw/zinc/57/35/99/313573599.db2.gz DLHSHKUJKLCLHK-UHFFFAOYSA-N 1 0 349.435 2.086 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417846265 313616804 /nfs/dbraw/zinc/61/68/04/313616804.db2.gz JDVKHBBLVYCXAH-DZKIICNBSA-N 1 0 332.404 2.297 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418378667 313798337 /nfs/dbraw/zinc/79/83/37/313798337.db2.gz ANRXSPLFYQKLPM-HOCLYGCPSA-N 1 0 334.420 2.467 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418765291 313902196 /nfs/dbraw/zinc/90/21/96/313902196.db2.gz LOSVKHTYGXVPJH-GXTWGEPZSA-N 1 0 332.404 2.396 20 5 EEBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419803062 313931872 /nfs/dbraw/zinc/93/18/72/313931872.db2.gz BPYKCMNNBSSVGZ-HOTGVXAUSA-N 1 0 334.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420993363 314017732 /nfs/dbraw/zinc/01/77/32/314017732.db2.gz MAYZZZNWERNPLQ-KGLIPLIRSA-N 1 0 340.330 2.138 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@H](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000421019952 314027926 /nfs/dbraw/zinc/02/79/26/314027926.db2.gz QMEVUOJLSCPAGX-AWEZNQCLSA-N 1 0 335.404 2.408 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430639221 314563949 /nfs/dbraw/zinc/56/39/49/314563949.db2.gz OPJWBZVYWIJOCT-RISCZKNCSA-N 1 0 331.376 2.347 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CC2(SC)CC2)cc1[N+](=O)[O-] ZINC000433193425 314753005 /nfs/dbraw/zinc/75/30/05/314753005.db2.gz JXPXNJNMFJVTGY-UHFFFAOYSA-N 1 0 340.401 2.132 20 5 EEBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000437880954 315056583 /nfs/dbraw/zinc/05/65/83/315056583.db2.gz ZLWHDRXFGIQJMU-AWEZNQCLSA-N 1 0 334.420 2.460 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000520985588 316887413 /nfs/dbraw/zinc/88/74/13/316887413.db2.gz QSFMJJUQMIIVDO-UHFFFAOYSA-N 1 0 348.378 2.276 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000537952959 318030522 /nfs/dbraw/zinc/03/05/22/318030522.db2.gz ZVOPMYOXKMHAIT-JGFGOQIWSA-N 1 0 333.388 2.469 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000541019771 318090850 /nfs/dbraw/zinc/09/08/50/318090850.db2.gz JYCZWTFRYBQINT-LBPRGKRZSA-N 1 0 344.293 2.133 20 5 EEBDRO CN(CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cc[nH+]cc1 ZINC000541855234 318112109 /nfs/dbraw/zinc/11/21/09/318112109.db2.gz JOCPDIIEBRIGBT-UHFFFAOYSA-N 1 0 340.383 2.401 20 5 EEBDRO COc1ccccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567605364 319396411 /nfs/dbraw/zinc/39/64/11/319396411.db2.gz PVAWUBCVTHGLLT-HNNXBMFYSA-N 1 0 346.383 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](NC[C@H](O)C[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000568043795 319448414 /nfs/dbraw/zinc/44/84/14/319448414.db2.gz VGYGJVPTCADFPK-KBPBESRZSA-N 1 0 347.337 2.245 20 5 EEBDRO COc1cc(C)ccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575862165 320120135 /nfs/dbraw/zinc/12/01/35/320120135.db2.gz VVPRAVNSHKIOHQ-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000181094869 323339361 /nfs/dbraw/zinc/33/93/61/323339361.db2.gz SNDXMXQIGHRNJP-AWEZNQCLSA-N 1 0 345.403 2.449 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183419218 323406875 /nfs/dbraw/zinc/40/68/75/323406875.db2.gz CAWQDRZXKLOIAY-QGZVFWFLSA-N 1 0 327.384 2.367 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580632791 324100921 /nfs/dbraw/zinc/10/09/21/324100921.db2.gz BLPFZLBRJUSIHS-AWEZNQCLSA-N 1 0 332.404 2.195 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COCc2ccccc21 ZINC000581066867 324178513 /nfs/dbraw/zinc/17/85/13/324178513.db2.gz LKBQIWASBDGCDE-GDBMZVCRSA-N 1 0 344.367 2.196 20 5 EEBDRO C[C@@H]1COCCN1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000581981720 324352931 /nfs/dbraw/zinc/35/29/31/324352931.db2.gz JQARKXPNZVNTPZ-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000584048106 324784979 /nfs/dbraw/zinc/78/49/79/324784979.db2.gz CMNMTFSQIIMRIA-UONOGXRCSA-N 1 0 336.388 2.026 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165882345 463648818 /nfs/dbraw/zinc/64/88/18/463648818.db2.gz MYXHXVODEPZNJI-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165847527 463649043 /nfs/dbraw/zinc/64/90/43/463649043.db2.gz HZBHNUMSDOVWLE-LLVKDONJSA-N 1 0 342.193 2.229 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000336868826 465061261 /nfs/dbraw/zinc/06/12/61/465061261.db2.gz ZXQIIOFINODQKV-VIFPVBQESA-N 1 0 349.840 2.352 20 5 EEBDRO COC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000354626291 465061777 /nfs/dbraw/zinc/06/17/77/465061777.db2.gz FJGCNBIAZHPASY-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)[C@H]2CCCO2)c1 ZINC000339140852 465106199 /nfs/dbraw/zinc/10/61/99/465106199.db2.gz OARQDKBOIXCBBA-CHWSQXEVSA-N 1 0 334.294 2.243 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358425357 465114847 /nfs/dbraw/zinc/11/48/47/465114847.db2.gz RESVWJRFJOSRRQ-HIFRSBDPSA-N 1 0 335.379 2.362 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296231977 465123921 /nfs/dbraw/zinc/12/39/21/465123921.db2.gz WPSMFNGJZQVNHH-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO CN(CCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337230439 465256326 /nfs/dbraw/zinc/25/63/26/465256326.db2.gz STRNZSNIFRNFLT-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO CCOCC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521228123 468298074 /nfs/dbraw/zinc/29/80/74/468298074.db2.gz LGMTXKJGHYWWIS-CYBMUJFWSA-N 1 0 336.310 2.491 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074315615 462584647 /nfs/dbraw/zinc/58/46/47/462584647.db2.gz MCNHYXGWZARQNI-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO CCOc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000061647022 462594771 /nfs/dbraw/zinc/59/47/71/462594771.db2.gz LPDIXUDXKJJAQN-UHFFFAOYSA-N 1 0 347.375 2.004 20 5 EEBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)ncc1[N+](=O)[O-] ZINC000074764224 462631836 /nfs/dbraw/zinc/63/18/36/462631836.db2.gz USPUAVHOJCUOBW-JTQLQIEISA-N 1 0 334.405 2.045 20 5 EEBDRO CCC[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000089620022 462699216 /nfs/dbraw/zinc/69/92/16/462699216.db2.gz FMLGLQBBKNPPOO-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000115433818 462713366 /nfs/dbraw/zinc/71/33/66/462713366.db2.gz VQWSUKNSOCBIQE-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO CN(C(=O)C[N@H+](C)C1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000089924684 462743612 /nfs/dbraw/zinc/74/36/12/462743612.db2.gz PXOORJRZDOPEIZ-UHFFFAOYSA-N 1 0 335.404 2.041 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)C1CC1 ZINC000090054334 462770918 /nfs/dbraw/zinc/77/09/18/462770918.db2.gz MDQMRSBREYXYJE-SJLPKXTDSA-N 1 0 334.416 2.293 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000090181416 462784046 /nfs/dbraw/zinc/78/40/46/462784046.db2.gz STECJYLISPFFTR-YPMHNXCESA-N 1 0 333.388 2.407 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000066816536 462933260 /nfs/dbraw/zinc/93/32/60/462933260.db2.gz RDBPZVSDNTZQOL-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000133721347 462963789 /nfs/dbraw/zinc/96/37/89/462963789.db2.gz LYDHKDVYVHMPGH-ZDUSSCGKSA-N 1 0 342.193 2.215 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000050994017 463015247 /nfs/dbraw/zinc/01/52/47/463015247.db2.gz NPSRRYFOPJSTGK-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000051322756 463032615 /nfs/dbraw/zinc/03/26/15/463032615.db2.gz AMNFPOUVKODRIM-UHFFFAOYSA-N 1 0 329.404 2.267 20 5 EEBDRO Cc1nn(C)c(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000051854015 463051739 /nfs/dbraw/zinc/05/17/39/463051739.db2.gz SZNHYENZABZOOS-GFCCVEGCSA-N 1 0 329.404 2.495 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000077937450 463073250 /nfs/dbraw/zinc/07/32/50/463073250.db2.gz QUUFOSZCLYAKKP-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccccn2)C1 ZINC000157665861 463154611 /nfs/dbraw/zinc/15/46/11/463154611.db2.gz BCGRUGHANSRQBS-GFCCVEGCSA-N 1 0 341.371 2.040 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135445537 463157217 /nfs/dbraw/zinc/15/72/17/463157217.db2.gz DNQCMVNFHYUHQK-QGZVFWFLSA-N 1 0 344.415 2.417 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000157731712 463163441 /nfs/dbraw/zinc/16/34/41/463163441.db2.gz ZUGYKMMTAJZOMB-NWDGAFQWSA-N 1 0 340.383 2.498 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC000053514462 463170951 /nfs/dbraw/zinc/17/09/51/463170951.db2.gz QXBFLWUKSNCWLV-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CC(C)(CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000079871871 463256843 /nfs/dbraw/zinc/25/68/43/463256843.db2.gz QUPAZDANTIWRJC-UHFFFAOYSA-N 1 0 342.403 2.216 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000136895388 463265335 /nfs/dbraw/zinc/26/53/35/463265335.db2.gz WRWNLGQFVVGMSF-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055405517 463316529 /nfs/dbraw/zinc/31/65/29/463316529.db2.gz VWHMCGQEHKWCBA-UONOGXRCSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162113471 463485059 /nfs/dbraw/zinc/48/50/59/463485059.db2.gz TYYDBVHOWAAPHO-WFASDCNBSA-N 1 0 341.433 2.041 20 5 EEBDRO CC[NH2+]CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000151339632 463515059 /nfs/dbraw/zinc/51/50/59/463515059.db2.gz VKIMFIHVFVKEEX-CYBMUJFWSA-N 1 0 334.420 2.170 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000162603409 463524226 /nfs/dbraw/zinc/52/42/26/463524226.db2.gz WBUGGMZSALFYSA-HNNXBMFYSA-N 1 0 345.403 2.367 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684499 463695164 /nfs/dbraw/zinc/69/51/64/463695164.db2.gz AJYWHPXRQGKVKN-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000568659806 468370982 /nfs/dbraw/zinc/37/09/82/468370982.db2.gz KDSMWFPZXLVJSK-UHFFFAOYSA-N 1 0 343.374 2.198 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287009167 463770948 /nfs/dbraw/zinc/77/09/48/463770948.db2.gz RJCLATVGXHYSGE-YOEHRIQHSA-N 1 0 346.431 2.116 20 5 EEBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277055251 463858006 /nfs/dbraw/zinc/85/80/06/463858006.db2.gz HJAXIRIOZHDIKF-GFCCVEGCSA-N 1 0 339.415 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCOCC3)o2)cc1 ZINC000171416710 463858715 /nfs/dbraw/zinc/85/87/15/463858715.db2.gz NANDNYKAIMBDER-UHFFFAOYSA-N 1 0 332.356 2.486 20 5 EEBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171414403 463858890 /nfs/dbraw/zinc/85/88/90/463858890.db2.gz PAEGFSAQKTZRRW-WDEREUQCSA-N 1 0 335.360 2.430 20 5 EEBDRO CC[NH+](CC)CCCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000194552392 463882313 /nfs/dbraw/zinc/88/23/13/463882313.db2.gz MPGSMKOQJHXJFR-UHFFFAOYSA-N 1 0 332.198 2.251 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@H]2c2ccccc2Cl)n1 ZINC000261881869 463887143 /nfs/dbraw/zinc/88/71/43/463887143.db2.gz YQRWQNUXZCMQLM-AWEZNQCLSA-N 1 0 335.795 2.091 20 5 EEBDRO Cc1ccc(NCCCNC(=O)CC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261886499 463888620 /nfs/dbraw/zinc/88/86/20/463888620.db2.gz VGQAPRJJXORVPB-CQSZACIVSA-N 1 0 334.420 2.211 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000287503673 463907847 /nfs/dbraw/zinc/90/78/47/463907847.db2.gz UEFLAYIZERJJNL-CQSZACIVSA-N 1 0 333.388 2.048 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262051572 463935085 /nfs/dbraw/zinc/93/50/85/463935085.db2.gz MQYMGGUQYFWCLN-UHFFFAOYSA-N 1 0 347.396 2.195 20 5 EEBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671016 463940424 /nfs/dbraw/zinc/94/04/24/463940424.db2.gz BNRCERNAHZGQBB-HZPDHXFCSA-N 1 0 343.387 2.175 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269319013 463951313 /nfs/dbraw/zinc/95/13/13/463951313.db2.gz AQZOLAWDHFOIAL-GFCCVEGCSA-N 1 0 337.424 2.292 20 5 EEBDRO Cc1cccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278872030 464005090 /nfs/dbraw/zinc/00/50/90/464005090.db2.gz OFHDBBSSIMNOGU-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000172242720 464026289 /nfs/dbraw/zinc/02/62/89/464026289.db2.gz XFSONKLIJFCDIR-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000178979719 464029139 /nfs/dbraw/zinc/02/91/39/464029139.db2.gz NCHMIVGNKMYGCJ-WFASDCNBSA-N 1 0 341.433 2.089 20 5 EEBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000283903463 464035761 /nfs/dbraw/zinc/03/57/61/464035761.db2.gz DAZDKUDHKGNHAT-LLVKDONJSA-N 1 0 336.392 2.449 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590971755 468387503 /nfs/dbraw/zinc/38/75/03/468387503.db2.gz KTQMOKCXMOIJQS-BMFZPTHFSA-N 1 0 331.416 2.422 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cc2ccccc2)n1 ZINC000554089566 468388365 /nfs/dbraw/zinc/38/83/65/468388365.db2.gz FYNCAMNWBWZVPQ-IKGGRYGDSA-N 1 0 344.415 2.468 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179125686 464061984 /nfs/dbraw/zinc/06/19/84/464061984.db2.gz ZVGYZLBWTXRJMZ-ZDUSSCGKSA-N 1 0 349.387 2.259 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000179139581 464065138 /nfs/dbraw/zinc/06/51/38/464065138.db2.gz PFTZZUKWXCVWFM-HOCLYGCPSA-N 1 0 334.416 2.437 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000179202719 464079991 /nfs/dbraw/zinc/07/99/91/464079991.db2.gz WRFODIFYSKKUJM-MCIONIFRSA-N 1 0 348.447 2.496 20 5 EEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279347142 464090895 /nfs/dbraw/zinc/09/08/95/464090895.db2.gz VFRRTVCWBHNIFE-CHWSQXEVSA-N 1 0 326.418 2.162 20 5 EEBDRO COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000591015731 468392472 /nfs/dbraw/zinc/39/24/72/468392472.db2.gz KBFPLNJXVSZZQV-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000263677520 464149271 /nfs/dbraw/zinc/14/92/71/464149271.db2.gz HMRPPWDSFIJLOJ-HNNXBMFYSA-N 1 0 338.383 2.089 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236651826 464217043 /nfs/dbraw/zinc/21/70/43/464217043.db2.gz IIZXIKLYKNYFBL-LLVKDONJSA-N 1 0 349.840 2.242 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292429707 464230832 /nfs/dbraw/zinc/23/08/32/464230832.db2.gz XDBINBNIKWFCKX-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237131131 464269364 /nfs/dbraw/zinc/26/93/64/464269364.db2.gz ZRGFRKHUJMMEAF-AWEZNQCLSA-N 1 0 337.423 2.126 20 5 EEBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000237507160 464331886 /nfs/dbraw/zinc/33/18/86/464331886.db2.gz HVWFHWZPDXYQFW-QMTHXVAHSA-N 1 0 325.796 2.377 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180591911 464343468 /nfs/dbraw/zinc/34/34/68/464343468.db2.gz ICLRQFBMNBSRIX-HNNXBMFYSA-N 1 0 328.372 2.210 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188831088 464378428 /nfs/dbraw/zinc/37/84/28/464378428.db2.gz JDFQCXYVSAVDPJ-AWEZNQCLSA-N 1 0 348.403 2.089 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237498 464461117 /nfs/dbraw/zinc/46/11/17/464461117.db2.gz KJSDXJWBLNGZJW-WFASDCNBSA-N 1 0 344.415 2.266 20 5 EEBDRO C[C@]1(CCCO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000272073936 464468630 /nfs/dbraw/zinc/46/86/30/464468630.db2.gz ZWSSIKZDPDRJDX-GOSISDBHSA-N 1 0 347.415 2.111 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000174962021 464473596 /nfs/dbraw/zinc/47/35/96/464473596.db2.gz SFMLLASVJONIQI-HUUCEWRRSA-N 1 0 346.431 2.482 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000294359863 464477371 /nfs/dbraw/zinc/47/73/71/464477371.db2.gz GHKPSRADICQQTK-JKSUJKDBSA-N 1 0 345.399 2.301 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000294359840 464477599 /nfs/dbraw/zinc/47/75/99/464477599.db2.gz GHKPSRADICQQTK-CVEARBPZSA-N 1 0 345.399 2.301 20 5 EEBDRO CN(C(=O)C[NH2+][C@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000181498902 464497188 /nfs/dbraw/zinc/49/71/88/464497188.db2.gz YJNKDPSOMNPIJF-QGZVFWFLSA-N 1 0 349.431 2.479 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000272306602 464556980 /nfs/dbraw/zinc/55/69/80/464556980.db2.gz REPHJEIZJJKLPW-KGLIPLIRSA-N 1 0 346.431 2.394 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189948904 464569739 /nfs/dbraw/zinc/56/97/39/464569739.db2.gz UGBYYCWVAREJDT-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265508206 464584500 /nfs/dbraw/zinc/58/45/00/464584500.db2.gz QRVLRGZHCTYDQA-KGLIPLIRSA-N 1 0 334.420 2.195 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294853275 464626414 /nfs/dbraw/zinc/62/64/14/464626414.db2.gz FRSCCPUXHZHUCH-WDEREUQCSA-N 1 0 339.367 2.345 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499951 464634395 /nfs/dbraw/zinc/63/43/95/464634395.db2.gz GREISIWGNBMNAH-IAGOWNOFSA-N 1 0 343.431 2.492 20 5 EEBDRO Cn1ccnc1[C@H](NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539143 464651019 /nfs/dbraw/zinc/65/10/19/464651019.db2.gz OSAGSCWWHZJOMB-QGZVFWFLSA-N 1 0 343.431 2.493 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000591144267 468414948 /nfs/dbraw/zinc/41/49/48/468414948.db2.gz DPRMRHNQWCOHOP-IAGOWNOFSA-N 1 0 342.399 2.178 20 5 EEBDRO CC[N@H+](CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585590 464668890 /nfs/dbraw/zinc/66/88/90/464668890.db2.gz YXODWYZYGDDDNC-KRWDZBQOSA-N 1 0 343.431 2.492 20 5 EEBDRO CN(C)C(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000295152643 464723937 /nfs/dbraw/zinc/72/39/37/464723937.db2.gz NRTQDPOSGVRXOQ-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285870835 464725626 /nfs/dbraw/zinc/72/56/26/464725626.db2.gz BMYPOAPVYDANAU-HFBDOXOYSA-N 1 0 325.796 2.293 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000282349386 464784318 /nfs/dbraw/zinc/78/43/18/464784318.db2.gz GZTXENYOQWOMIF-IRXDYDNUSA-N 1 0 346.431 2.406 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000295413604 464823252 /nfs/dbraw/zinc/82/32/52/464823252.db2.gz NGPHIONUTFGLOR-YGRLFVJLSA-N 1 0 335.360 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000267353241 464926882 /nfs/dbraw/zinc/92/68/82/464926882.db2.gz GSDWGRPVVZBYFK-GFCCVEGCSA-N 1 0 325.796 2.407 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000286607379 464975204 /nfs/dbraw/zinc/97/52/04/464975204.db2.gz BRXAXLBOLZKBAP-UHFFFAOYSA-N 1 0 349.387 2.272 20 5 EEBDRO CNC(=O)OC[C@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000286732141 465016701 /nfs/dbraw/zinc/01/67/01/465016701.db2.gz HHJQGKVGYGVNLX-CYBMUJFWSA-N 1 0 337.376 2.314 20 5 EEBDRO CCCC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298177425 465323298 /nfs/dbraw/zinc/32/32/98/465323298.db2.gz RGQSQHANFBSSEE-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH+]1C ZINC000339624232 465398248 /nfs/dbraw/zinc/39/82/48/465398248.db2.gz XUFPSEWAKPPDMQ-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000351887865 465419097 /nfs/dbraw/zinc/41/90/97/465419097.db2.gz SDMCOTNCNKGSBM-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352349892 465518200 /nfs/dbraw/zinc/51/82/00/465518200.db2.gz HWDNDOJELDOCOJ-HNNXBMFYSA-N 1 0 344.415 2.912 20 5 EEBDRO C[C@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095610 468437103 /nfs/dbraw/zinc/43/71/03/468437103.db2.gz FYNHFUQWCBUKTR-QWHCGFSZSA-N 1 0 326.418 2.394 20 5 EEBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298961556 465550949 /nfs/dbraw/zinc/55/09/49/465550949.db2.gz XLHIJSBIZNPHMG-UHFFFAOYSA-N 1 0 342.399 2.360 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000339860005 465554665 /nfs/dbraw/zinc/55/46/65/465554665.db2.gz QYMAXUWFFUGDIB-KGLIPLIRSA-N 1 0 348.403 2.029 20 5 EEBDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC[N@@H+]1C ZINC000337928596 465686938 /nfs/dbraw/zinc/68/69/38/465686938.db2.gz RBNFKMSUQNLKCU-HNNXBMFYSA-N 1 0 344.419 2.167 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000353194530 465707380 /nfs/dbraw/zinc/70/73/80/465707380.db2.gz PLTJAQDGJWPYFO-CQSZACIVSA-N 1 0 335.404 2.484 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330598332 465724657 /nfs/dbraw/zinc/72/46/57/465724657.db2.gz SSSKGYUBDYRJMO-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348757763 465775063 /nfs/dbraw/zinc/77/50/63/465775063.db2.gz WTMZLAVXKWURKZ-UHFFFAOYSA-N 1 0 346.387 2.309 20 5 EEBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000338063024 465792525 /nfs/dbraw/zinc/79/25/25/465792525.db2.gz XBHXHCNGHPOKCN-AWEZNQCLSA-N 1 0 346.431 2.429 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000361218905 465845237 /nfs/dbraw/zinc/84/52/37/465845237.db2.gz AEUSBHGUTQSQRP-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349004380 465917711 /nfs/dbraw/zinc/91/77/11/465917711.db2.gz RRWUFJKZSAMQHB-GFCCVEGCSA-N 1 0 326.356 2.367 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000357291573 465918044 /nfs/dbraw/zinc/91/80/44/465918044.db2.gz FAEOEZFXZSBQNI-PBFPGSCMSA-N 1 0 334.420 2.290 20 5 EEBDRO Cc1sc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000349052608 465939786 /nfs/dbraw/zinc/93/97/86/465939786.db2.gz MEEUJIVATKKOMW-SNVBAGLBSA-N 1 0 332.385 2.428 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287603 465986435 /nfs/dbraw/zinc/98/64/35/465986435.db2.gz BRXGYOFJXQEQOX-RYUDHWBXSA-N 1 0 337.376 2.019 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000301644731 466002228 /nfs/dbraw/zinc/00/22/28/466002228.db2.gz HMBKFIJHZMECFI-OLZOCXBDSA-N 1 0 331.294 2.133 20 5 EEBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301761305 466027566 /nfs/dbraw/zinc/02/75/66/466027566.db2.gz CSNCIIBOSDAWTN-QGZVFWFLSA-N 1 0 345.403 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000331365977 466050622 /nfs/dbraw/zinc/05/06/22/466050622.db2.gz CUHIDVMRRLFSCM-KZNAEPCWSA-N 1 0 334.416 2.389 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340413122 466074326 /nfs/dbraw/zinc/07/43/26/466074326.db2.gz OZYXKDHKFSCALC-HJWJTTGWSA-N 1 0 334.416 2.436 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000353756669 466124478 /nfs/dbraw/zinc/12/44/78/466124478.db2.gz GJBATMVUEAZMGJ-UHFFFAOYSA-N 1 0 346.339 2.142 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000302444864 466140114 /nfs/dbraw/zinc/14/01/14/466140114.db2.gz RDCUOORDKUZIGX-JTQLQIEISA-N 1 0 333.310 2.116 20 5 EEBDRO COC[C@@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661913 466181007 /nfs/dbraw/zinc/18/10/07/466181007.db2.gz HASQRLAJGCVMDR-CYBMUJFWSA-N 1 0 344.433 2.019 20 5 EEBDRO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049627 466195085 /nfs/dbraw/zinc/19/50/85/466195085.db2.gz OCWZDUDPFRXXPW-IAGOWNOFSA-N 1 0 330.388 2.298 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000555538597 468481721 /nfs/dbraw/zinc/48/17/21/468481721.db2.gz YCTUZRMIWCSXSY-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000353994189 466309033 /nfs/dbraw/zinc/30/90/33/466309033.db2.gz DWTCQYQORRFXLZ-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054212 466364796 /nfs/dbraw/zinc/36/47/96/466364796.db2.gz VDWQUEVSBLSTPE-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363582058 466491004 /nfs/dbraw/zinc/49/10/04/466491004.db2.gz LEJSAPCRYJIHCY-NSHDSACASA-N 1 0 343.387 2.218 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332336412 466513891 /nfs/dbraw/zinc/51/38/91/466513891.db2.gz MEQGTUUUIVHLBS-MNOVXSKESA-N 1 0 344.371 2.061 20 5 EEBDRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000339007299 466565323 /nfs/dbraw/zinc/56/53/23/466565323.db2.gz GDHMDWFJFYIYAO-ZBFHGGJFSA-N 1 0 347.371 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347420818 466624924 /nfs/dbraw/zinc/62/49/24/466624924.db2.gz DCOREOLSGAQIOC-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000322638535 466634544 /nfs/dbraw/zinc/63/45/44/466634544.db2.gz XGQMTOOVGOHBGA-VXGBXAGGSA-N 1 0 339.417 2.037 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000423220215 466698315 /nfs/dbraw/zinc/69/83/15/466698315.db2.gz VBOFYUDILSUSSD-CJNGLKHVSA-N 1 0 336.436 2.441 20 5 EEBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)C[NH+]1CCCC1 ZINC000416111484 466722970 /nfs/dbraw/zinc/72/29/70/466722970.db2.gz VRDXXOTXAFLUGB-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN)C1CCCC1 ZINC000423505040 466760333 /nfs/dbraw/zinc/76/03/33/466760333.db2.gz HAKMVAPUEHXRMN-WBMJQRKESA-N 1 0 334.420 2.419 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992537 466940720 /nfs/dbraw/zinc/94/07/20/466940720.db2.gz GHWZDKPBDRSDQV-INIZCTEOSA-N 1 0 341.367 2.147 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000424042561 466961827 /nfs/dbraw/zinc/96/18/27/466961827.db2.gz PWPWURWSBJFRMQ-INIZCTEOSA-N 1 0 347.415 2.454 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370990035 467065153 /nfs/dbraw/zinc/06/51/53/467065153.db2.gz BIOSROJRLFSFII-KGLIPLIRSA-N 1 0 333.388 2.282 20 5 EEBDRO CCC[NH2+]CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418490794 467118172 /nfs/dbraw/zinc/11/81/72/467118172.db2.gz QIHAXESJADYSSZ-OAHLLOKOSA-N 1 0 334.420 2.483 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413167453 467182490 /nfs/dbraw/zinc/18/24/90/467182490.db2.gz HQQIRQYKDOYWDX-UHFFFAOYSA-N 1 0 326.372 2.066 20 5 EEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])cnn1C ZINC000431973234 467206847 /nfs/dbraw/zinc/20/68/47/467206847.db2.gz PFEQGBUKWGJPLL-WMLDXEAASA-N 1 0 346.387 2.135 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450951418 467214497 /nfs/dbraw/zinc/21/44/97/467214497.db2.gz POUKEIRNVLKGJK-UHFFFAOYSA-N 1 0 333.314 2.238 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433064104 467287710 /nfs/dbraw/zinc/28/77/10/467287710.db2.gz VUPYVDZRGCSUPW-WBVHZDCISA-N 1 0 330.388 2.032 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452035087 467309747 /nfs/dbraw/zinc/30/97/47/467309747.db2.gz WEBKVCTUQUKLJF-USXIJHARSA-N 1 0 338.404 2.272 20 5 EEBDRO O=C(NC1CC1)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420200615 467320738 /nfs/dbraw/zinc/32/07/38/467320738.db2.gz MYMOXTVZNUXDCM-GFCCVEGCSA-N 1 0 332.404 2.289 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000420290111 467340382 /nfs/dbraw/zinc/34/03/82/467340382.db2.gz UIDKZRFLWPXCGC-IUCAKERBSA-N 1 0 329.198 2.104 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C[NH3+])C1 ZINC000420344742 467370223 /nfs/dbraw/zinc/37/02/23/467370223.db2.gz UPFVDRWLDDXCNQ-FZMZJTMJSA-N 1 0 331.376 2.204 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420397184 467393758 /nfs/dbraw/zinc/39/37/58/467393758.db2.gz FCMQNDSLFJQIBF-TZMCWYRMSA-N 1 0 340.383 2.312 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420403715 467397036 /nfs/dbraw/zinc/39/70/36/467397036.db2.gz NMCHREMDERKQNP-OCCSQVGLSA-N 1 0 340.383 2.312 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420451692 467411767 /nfs/dbraw/zinc/41/17/67/467411767.db2.gz VWOVIKAFIMQJFG-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435232025 467453038 /nfs/dbraw/zinc/45/30/38/467453038.db2.gz HZXVUNLJURWZGK-OAHLLOKOSA-N 1 0 332.404 2.058 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405353838 467480450 /nfs/dbraw/zinc/48/04/50/467480450.db2.gz PWPVYJRWFQVKOL-DGCLKSJQSA-N 1 0 341.433 2.041 20 5 EEBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435627714 467483971 /nfs/dbraw/zinc/48/39/71/467483971.db2.gz OGEWACVNDFAQRZ-AWEZNQCLSA-N 1 0 334.420 2.306 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436405229 467534756 /nfs/dbraw/zinc/53/47/56/467534756.db2.gz PCTOCLLVVSZKGN-SNVBAGLBSA-N 1 0 348.325 2.166 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000449320011 467630522 /nfs/dbraw/zinc/63/05/22/467630522.db2.gz HUIFZXQKAFDMOG-VXGBXAGGSA-N 1 0 326.418 2.081 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000449375495 467634308 /nfs/dbraw/zinc/63/43/08/467634308.db2.gz HNMYNMNATSTOHE-UHFFFAOYSA-N 1 0 326.324 2.127 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000493150476 467850936 /nfs/dbraw/zinc/85/09/36/467850936.db2.gz JLWVEPVZRZFXGJ-RQOWECAXSA-N 1 0 333.363 2.349 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458565932 467858581 /nfs/dbraw/zinc/85/85/81/467858581.db2.gz BQBRVQZWCOIHDA-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000494456698 468057835 /nfs/dbraw/zinc/05/78/35/468057835.db2.gz XVYIDMAWJIODPY-CZUORRHYSA-N 1 0 347.371 2.050 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966261 468060754 /nfs/dbraw/zinc/06/07/54/468060754.db2.gz LSBNASPOHIQXQR-VEVIJQCQSA-N 1 0 344.367 2.446 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567841544 468220973 /nfs/dbraw/zinc/22/09/73/468220973.db2.gz HLOXGOSCYSRFMO-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000590402362 468246990 /nfs/dbraw/zinc/24/69/90/468246990.db2.gz CWDBJFKQDYGFHB-RISCZKNCSA-N 1 0 328.372 2.308 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)C1 ZINC000590456375 468261259 /nfs/dbraw/zinc/26/12/59/468261259.db2.gz ARHIMNAOQVLYJG-QGZVFWFLSA-N 1 0 328.372 2.244 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199291 468510518 /nfs/dbraw/zinc/51/05/18/468510518.db2.gz JJWUDGSQWXHAPG-HZPDHXFCSA-N 1 0 333.388 2.107 20 5 EEBDRO CNC(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594596942 468630776 /nfs/dbraw/zinc/63/07/76/468630776.db2.gz BJSOGHUFGDXHPP-DZGCQCFKSA-N 1 0 332.404 2.383 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600716070 468630824 /nfs/dbraw/zinc/63/08/24/468630824.db2.gz WDPSYTHRPAUXST-CQSZACIVSA-N 1 0 340.811 2.117 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000570463920 468642726 /nfs/dbraw/zinc/64/27/26/468642726.db2.gz IALKNXOVFYJAMY-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254493 468665319 /nfs/dbraw/zinc/66/53/19/468665319.db2.gz FFIXTWOMPXZPNF-GJZGRUSLSA-N 1 0 347.415 2.212 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000558471904 468682012 /nfs/dbraw/zinc/68/20/12/468682012.db2.gz BORZATCTJUATJI-RISCZKNCSA-N 1 0 325.434 2.422 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000592543932 468727411 /nfs/dbraw/zinc/72/74/11/468727411.db2.gz YKCQXYLJEOXMDQ-HUUCEWRRSA-N 1 0 346.431 2.197 20 5 EEBDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000594969538 468734955 /nfs/dbraw/zinc/73/49/55/468734955.db2.gz QHILQBLMEMGHPT-GFCCVEGCSA-N 1 0 330.388 2.246 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000595046578 468748086 /nfs/dbraw/zinc/74/80/86/468748086.db2.gz AVFXHQGGGHMHMW-RYUDHWBXSA-N 1 0 342.417 2.079 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC[C@H]2O)ccc1Oc1ccc(F)cc1 ZINC000601139490 468757745 /nfs/dbraw/zinc/75/77/45/468757745.db2.gz IRPSRKFNORUTMI-GOEBONIOSA-N 1 0 348.330 2.376 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000601177602 468772682 /nfs/dbraw/zinc/77/26/82/468772682.db2.gz YBRXFOZIZSLKGF-INIZCTEOSA-N 1 0 332.404 2.010 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595219921 468787117 /nfs/dbraw/zinc/78/71/17/468787117.db2.gz BVYFOZNZXWZORC-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1ccc(CC(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593189259 468898683 /nfs/dbraw/zinc/89/86/83/468898683.db2.gz ZHNJKQOQJIACDH-UPJWGTAASA-N 1 0 335.404 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595597473 468916799 /nfs/dbraw/zinc/91/67/99/468916799.db2.gz RIFVKKXPOMNESG-KRWDZBQOSA-N 1 0 334.416 2.295 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595705590 468963185 /nfs/dbraw/zinc/96/31/85/468963185.db2.gz WXFAOWVGQQSSNM-AWEZNQCLSA-N 1 0 349.435 2.179 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000598714110 468969927 /nfs/dbraw/zinc/96/99/27/468969927.db2.gz FSVOIJRCLUJKDF-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595727384 468973398 /nfs/dbraw/zinc/97/33/98/468973398.db2.gz BQCPSOAQAPYPIS-ZIAGYGMSSA-N 1 0 333.388 2.094 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000602767904 469060194 /nfs/dbraw/zinc/06/01/94/469060194.db2.gz LEQOISAJLGXNLK-IYBDPMFKSA-N 1 0 341.415 2.168 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783754 469066645 /nfs/dbraw/zinc/06/66/45/469066645.db2.gz BXQNLDBULGVFFD-AWEZNQCLSA-N 1 0 335.404 2.330 20 5 EEBDRO COc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])c(OC)c1 ZINC000610782634 469069953 /nfs/dbraw/zinc/06/99/53/469069953.db2.gz ABWJMZJHAIXJTQ-UHFFFAOYSA-N 1 0 334.376 2.249 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000602780834 469069942 /nfs/dbraw/zinc/06/99/42/469069942.db2.gz LTSWOMHFXMKVHY-UHFFFAOYSA-N 1 0 335.452 2.296 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000602817904 469095609 /nfs/dbraw/zinc/09/56/09/469095609.db2.gz JONZIGAPEZCNMU-UHFFFAOYSA-N 1 0 345.403 2.347 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000599085326 469111527 /nfs/dbraw/zinc/11/15/27/469111527.db2.gz POYRLVXEZBOXGG-RTBURBONSA-N 1 0 341.411 2.340 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN(C)CC(F)F ZINC000599091769 469116080 /nfs/dbraw/zinc/11/60/80/469116080.db2.gz ZLFKDILXWQIYEQ-NSHDSACASA-N 1 0 344.362 2.098 20 5 EEBDRO C[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593734044 469116321 /nfs/dbraw/zinc/11/63/21/469116321.db2.gz SBMFPFJUWLFYMW-BBRMVZONSA-N 1 0 334.420 2.007 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593764110 469130500 /nfs/dbraw/zinc/13/05/00/469130500.db2.gz WAHOFCBTVUSHLE-XJKCOSOUSA-N 1 0 348.403 2.345 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611092017 469160784 /nfs/dbraw/zinc/16/07/84/469160784.db2.gz GQJGIJIUZRPLFS-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO NC(=O)c1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596137247 469171594 /nfs/dbraw/zinc/17/15/94/469171594.db2.gz YARAGFDJNSAFFO-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190135 469210214 /nfs/dbraw/zinc/21/02/14/469210214.db2.gz PHVMLQGTGUIZFA-ZFWWWQNUSA-N 1 0 347.415 2.425 20 5 EEBDRO COc1cc(C[NH2+]CC2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520809 469271538 /nfs/dbraw/zinc/27/15/38/469271538.db2.gz HVLVGQVPEBYSDV-UHFFFAOYSA-N 1 0 346.330 2.109 20 5 EEBDRO [NH3+]C1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602433295 469313524 /nfs/dbraw/zinc/31/35/24/469313524.db2.gz RCXFWPRAOJBNKV-UHFFFAOYSA-N 1 0 342.193 2.357 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602541671 469354639 /nfs/dbraw/zinc/35/46/39/469354639.db2.gz QQFKJSKIUZNYRD-GXSJLCMTSA-N 1 0 331.294 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCN(c4ccccn4)C3)nc2c1 ZINC000602575437 469366139 /nfs/dbraw/zinc/36/61/39/469366139.db2.gz HVUVHAPXHGLIMJ-GFCCVEGCSA-N 1 0 339.355 2.500 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000603403568 469380085 /nfs/dbraw/zinc/38/00/85/469380085.db2.gz XALZYSOQMYNQNL-UHFFFAOYSA-N 1 0 331.376 2.049 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603424466 469391034 /nfs/dbraw/zinc/39/10/34/469391034.db2.gz XHXWQKCHMXBPJJ-INIZCTEOSA-N 1 0 348.447 2.112 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612461800 469473546 /nfs/dbraw/zinc/47/35/46/469473546.db2.gz FCPGDMUDQXYNHU-ZWNOBZJWSA-N 1 0 335.360 2.290 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000604504647 469484086 /nfs/dbraw/zinc/48/40/86/469484086.db2.gz QTGSPAMHFJJOIZ-HZSPNIEDSA-N 1 0 334.420 2.411 20 5 EEBDRO CC[C@]1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCOC1 ZINC000616866107 469525925 /nfs/dbraw/zinc/52/59/25/469525925.db2.gz OKOVPOZXHMFSCN-INIZCTEOSA-N 1 0 335.360 2.052 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388427 469700943 /nfs/dbraw/zinc/70/09/43/469700943.db2.gz ABVDEMWEDBKVNH-CZUORRHYSA-N 1 0 343.383 2.288 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609347926 469921695 /nfs/dbraw/zinc/92/16/95/469921695.db2.gz GMDZCGKAXMDZBS-ZDUSSCGKSA-N 1 0 343.387 2.172 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609449625 469928235 /nfs/dbraw/zinc/92/82/35/469928235.db2.gz CDZPFPBKFCSDDS-YOEHRIQHSA-N 1 0 346.431 2.163 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209670 469988404 /nfs/dbraw/zinc/98/84/04/469988404.db2.gz WNXASGLVSAMPCX-FZMZJTMJSA-N 1 0 332.404 2.382 20 5 EEBDRO [NH3+]Cc1cccc2c1N(C(=O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000602540361 485643170 /nfs/dbraw/zinc/64/31/70/485643170.db2.gz MMSSVHRUHNONQO-UHFFFAOYSA-N 1 0 341.367 2.412 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130200243 533929408 /nfs/dbraw/zinc/92/94/08/533929408.db2.gz QRMJMXPVCRZKAW-GHMZBOCLSA-N 1 0 341.795 2.131 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164214 534307038 /nfs/dbraw/zinc/30/70/38/534307038.db2.gz KMDOOSXOKUEUCE-LBPRGKRZSA-N 1 0 334.332 2.084 20 5 EEBDRO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000560759892 517979405 /nfs/dbraw/zinc/97/94/05/517979405.db2.gz ICSSSTSPLSJDIO-JSGCOSHPSA-N 1 0 332.404 2.335 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000132270528 527717542 /nfs/dbraw/zinc/71/75/42/527717542.db2.gz MVBOXTMEIJWXET-LBPRGKRZSA-N 1 0 343.811 2.335 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181688931 528460266 /nfs/dbraw/zinc/46/02/66/528460266.db2.gz ZZUMTQUODDZZGX-UHFFFAOYSA-N 1 0 349.387 2.318 20 5 EEBDRO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000183754356 529295598 /nfs/dbraw/zinc/29/55/98/529295598.db2.gz LRIJTTRNBDBDEM-KRWDZBQOSA-N 1 0 343.431 2.388 20 5 EEBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266165892 535205736 /nfs/dbraw/zinc/20/57/36/535205736.db2.gz XZIHESJNYSSVMC-UHFFFAOYSA-N 1 0 334.376 2.082 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000423717166 535425819 /nfs/dbraw/zinc/42/58/19/535425819.db2.gz JTVBNPJVJQTCNW-ZIAGYGMSSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000264996821 536451274 /nfs/dbraw/zinc/45/12/74/536451274.db2.gz NZVSMHVGMQZATK-UHFFFAOYSA-N 1 0 338.360 2.235 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452167605 536951225 /nfs/dbraw/zinc/95/12/25/536951225.db2.gz BJNHFRPGAPOWJI-LBPRGKRZSA-N 1 0 333.388 2.160 20 5 EEBDRO Cn1c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000731678205 577116134 /nfs/dbraw/zinc/11/61/34/577116134.db2.gz IQJWLBXIMQOKCN-INIZCTEOSA-N 1 0 326.356 2.305 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000776270984 577456145 /nfs/dbraw/zinc/45/61/45/577456145.db2.gz GVBAKQIANQJXOP-HNNXBMFYSA-N 1 0 330.340 2.189 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccco1 ZINC000764772881 577488232 /nfs/dbraw/zinc/48/82/32/577488232.db2.gz LTWBGHHCDZSUIN-RISCZKNCSA-N 1 0 333.344 2.228 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccco1 ZINC000764772880 577488245 /nfs/dbraw/zinc/48/82/45/577488245.db2.gz LTWBGHHCDZSUIN-FZMZJTMJSA-N 1 0 333.344 2.228 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765015707 577492848 /nfs/dbraw/zinc/49/28/48/577492848.db2.gz UJJCRGABGZTCGK-ZDUSSCGKSA-N 1 0 346.387 2.295 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000770363585 577594716 /nfs/dbraw/zinc/59/47/16/577594716.db2.gz WVMODEFRDXXPMG-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO Cn1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000760896036 577671587 /nfs/dbraw/zinc/67/15/87/577671587.db2.gz IEJJNEYMGLNLBI-UHFFFAOYSA-N 1 0 329.404 2.129 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000754372715 577805158 /nfs/dbraw/zinc/80/51/58/577805158.db2.gz IIZXOIAMJWZSKB-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000754381069 577805332 /nfs/dbraw/zinc/80/53/32/577805332.db2.gz HZNAXXVIRIWGOK-LBPRGKRZSA-N 1 0 329.784 2.447 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000754704120 577811149 /nfs/dbraw/zinc/81/11/49/577811149.db2.gz LGIOSHYQAKTZPH-PWSUYJOCSA-N 1 0 347.400 2.113 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1COC(C)(C)OC1 ZINC000757698400 577862692 /nfs/dbraw/zinc/86/26/92/577862692.db2.gz QRBKNBNSAPIQMW-LLVKDONJSA-N 1 0 337.376 2.053 20 5 EEBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000742393469 577872286 /nfs/dbraw/zinc/87/22/86/577872286.db2.gz NAANGJGTMZONSW-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000742413111 577872640 /nfs/dbraw/zinc/87/26/40/577872640.db2.gz ZWCHZQZIYAXUEH-WCQYABFASA-N 1 0 332.404 2.382 20 5 EEBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000747531444 577945978 /nfs/dbraw/zinc/94/59/78/577945978.db2.gz MGWHLXSEOKNKMX-UHFFFAOYSA-N 1 0 340.351 2.278 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]CC[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000735084265 578132936 /nfs/dbraw/zinc/13/29/36/578132936.db2.gz CWAHLUGVENUIKV-QHCPKHFHSA-N 1 0 338.385 2.332 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736568857 578211976 /nfs/dbraw/zinc/21/19/76/578211976.db2.gz DCIWFDSKGAJLBS-WCQYABFASA-N 1 0 345.407 2.084 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736568402 578212124 /nfs/dbraw/zinc/21/21/24/578212124.db2.gz BJUASWCYINPYKE-RYUDHWBXSA-N 1 0 345.407 2.084 20 5 EEBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000821818002 599420737 /nfs/dbraw/zinc/42/07/37/599420737.db2.gz HBDKGMKBCRGACB-UHFFFAOYSA-N 1 0 340.343 2.073 20 5 EEBDRO C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000892302857 678660859 /nfs/dbraw/zinc/66/08/59/678660859.db2.gz CQXPSOKZOAONPH-NSHDSACASA-N 1 0 330.388 2.341 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000892339851 679136813 /nfs/dbraw/zinc/13/68/13/679136813.db2.gz LHYKRZCKZVJLOG-UHFFFAOYSA-N 1 0 336.392 2.055 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892536511 681626673 /nfs/dbraw/zinc/62/66/73/681626673.db2.gz FVNYWSIPJLLAHO-JKSUJKDBSA-N 1 0 346.431 2.434 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001019995041 683511302 /nfs/dbraw/zinc/51/13/02/683511302.db2.gz NIDJUDPCKBMGFB-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cnc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000904624278 694432866 /nfs/dbraw/zinc/43/28/66/694432866.db2.gz LPGSOIHALVZQAG-UHFFFAOYSA-N 1 0 340.343 2.351 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000872051884 1198035475 /nfs/dbraw/zinc/03/54/75/1198035475.db2.gz OIWZEKBYMOIJGG-VHSXEESVSA-N 1 0 332.447 2.400 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874437875 1198890774 /nfs/dbraw/zinc/89/07/74/1198890774.db2.gz RYOVLNLZZPASAG-AWEZNQCLSA-N 1 0 335.404 2.052 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000811803861 1200319657 /nfs/dbraw/zinc/31/96/57/1200319657.db2.gz UEVOIKCRAIEOHJ-SNVBAGLBSA-N 1 0 340.380 2.446 20 5 EEBDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000878401397 1200447852 /nfs/dbraw/zinc/44/78/52/1200447852.db2.gz PGXWSKNJQUBOCP-UHFFFAOYSA-N 1 0 347.371 2.187 20 5 EEBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881877653 1201781028 /nfs/dbraw/zinc/78/10/28/1201781028.db2.gz XOGTZERKKFGLAW-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931046024 1206602593 /nfs/dbraw/zinc/60/25/93/1206602593.db2.gz RWIYMKSVNMGVMY-ZWNOBZJWSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000931048882 1206602837 /nfs/dbraw/zinc/60/28/37/1206602837.db2.gz LTMBXOSFSBUBFA-SMDDNHRTSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931312040 1206623666 /nfs/dbraw/zinc/62/36/66/1206623666.db2.gz TZVZYGBEYNGNEX-HDICACEKSA-N 1 0 346.431 2.115 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(F)c1 ZINC000778105864 1207642853 /nfs/dbraw/zinc/64/28/53/1207642853.db2.gz JNYNGMOPGUBPTD-WMLDXEAASA-N 1 0 334.347 2.308 20 5 EEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000933249640 1207747771 /nfs/dbraw/zinc/74/77/71/1207747771.db2.gz SMLXWFNFWXVVFZ-CQSZACIVSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934236292 1207928378 /nfs/dbraw/zinc/92/83/78/1207928378.db2.gz KSLQGLXFAFBRFR-CYBMUJFWSA-N 1 0 328.372 2.173 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000778289051 1208070266 /nfs/dbraw/zinc/07/02/66/1208070266.db2.gz JPPNEPCNYFPVAN-ZYHUDNBSSA-N 1 0 327.331 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000045722294 1208370907 /nfs/dbraw/zinc/37/09/07/1208370907.db2.gz RCLITCYSEFZZQU-UHFFFAOYSA-N 1 0 329.404 2.462 20 5 EEBDRO CN(CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001095738469 1208450541 /nfs/dbraw/zinc/45/05/41/1208450541.db2.gz OANTVARPAQVKBQ-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000246013733 1212009556 /nfs/dbraw/zinc/00/95/56/1212009556.db2.gz ZWTYODDPOMMNMF-KRWDZBQOSA-N 1 0 331.420 2.482 20 5 EEBDRO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001114809309 1215473109 /nfs/dbraw/zinc/47/31/09/1215473109.db2.gz WQAKLWGXNDVDGI-CTYIDZIISA-N 1 0 346.431 2.243 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000420411189 1217549370 /nfs/dbraw/zinc/54/93/70/1217549370.db2.gz XKFSYGQFFMDSPY-QGZVFWFLSA-N 1 0 332.404 2.060 20 5 EEBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435807 1237596199 /nfs/dbraw/zinc/59/61/99/1237596199.db2.gz VDKKPARJHBICMO-BVIKNXMNSA-N 1 0 341.415 2.489 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525470 1237862462 /nfs/dbraw/zinc/86/24/62/1237862462.db2.gz WRPYXJVIXXTSSA-CWQOZTLDSA-N 1 0 343.427 2.211 20 5 EEBDRO C/C=C(\C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048754756 1238527609 /nfs/dbraw/zinc/52/76/09/1238527609.db2.gz UCFFUHFBPUYVPX-NVAVRXRDSA-N 1 0 329.400 2.451 20 5 EEBDRO CCc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000670115 1240700728 /nfs/dbraw/zinc/70/07/28/1240700728.db2.gz NLYIHPOWNWLXLY-QZTJIDSGSA-N 1 0 343.427 2.163 20 5 EEBDRO Cc1ccc(F)c(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001000673457 1240706402 /nfs/dbraw/zinc/70/64/02/1240706402.db2.gz FONVLMBTKLOUEG-NVXWUHKLSA-N 1 0 347.390 2.048 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325439 1243351132 /nfs/dbraw/zinc/35/11/32/1243351132.db2.gz DEXDVYLBIUZJGJ-QBPKDAKJSA-N 1 0 337.464 2.497 20 5 EEBDRO CC1(C)CC(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)C1 ZINC001050517071 1243769358 /nfs/dbraw/zinc/76/93/58/1243769358.db2.gz OMISGANROUYFCV-HUUCEWRRSA-N 1 0 335.448 2.012 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001097204888 1243820611 /nfs/dbraw/zinc/82/06/11/1243820611.db2.gz DZRBDDMFLFPHMZ-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO Cc1ccnc(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001097204939 1243821022 /nfs/dbraw/zinc/82/10/22/1243821022.db2.gz HAXGWYVOOYRDQW-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101352491 1245701493 /nfs/dbraw/zinc/70/14/93/1245701493.db2.gz CXJGUQIXMGAEKT-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101370367 1245727702 /nfs/dbraw/zinc/72/77/02/1245727702.db2.gz VQWKOEYVDUKYCX-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001101708861 1246156755 /nfs/dbraw/zinc/15/67/55/1246156755.db2.gz BJQFFIVPSLSUDJ-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852106099 1291994978 /nfs/dbraw/zinc/99/49/78/1291994978.db2.gz UNTUDGOVNKKOGW-INIZCTEOSA-N 1 0 334.376 2.421 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852106100 1291995061 /nfs/dbraw/zinc/99/50/61/1291995061.db2.gz UNTUDGOVNKKOGW-MRXNPFEDSA-N 1 0 334.376 2.421 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000853502863 1292404323 /nfs/dbraw/zinc/40/43/23/1292404323.db2.gz AGUUQGJCFVPAKI-KGLIPLIRSA-N 1 0 343.387 2.169 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000854737152 1292934677 /nfs/dbraw/zinc/93/46/77/1292934677.db2.gz NFPKAQKJNRVEFD-SFHVURJKSA-N 1 0 346.431 2.219 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000861037595 1295227969 /nfs/dbraw/zinc/22/79/69/1295227969.db2.gz BPARUNISLIHNDW-AWEZNQCLSA-N 1 0 336.388 2.479 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CN4C[C@H]3[NH2+]CC4)c2)c1 ZINC001218110510 1297577436 /nfs/dbraw/zinc/57/74/36/1297577436.db2.gz HSXMYXXPXRJBGW-QZTJIDSGSA-N 1 0 325.368 2.297 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001222791381 1299862895 /nfs/dbraw/zinc/86/28/95/1299862895.db2.gz PVBYFKYZUUETHQ-MWDXBVQZSA-N 1 0 334.372 2.278 20 5 EEBDRO CCCOCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226429947 1301409278 /nfs/dbraw/zinc/40/92/78/1301409278.db2.gz NREPQECFFHALBD-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001228465895 1302273596 /nfs/dbraw/zinc/27/35/96/1302273596.db2.gz MUFLRYGETLSWSA-MRVPVSSYSA-N 1 0 342.284 2.346 20 5 EEBDRO Cc1[nH]c(=O)cc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001228687048 1302380336 /nfs/dbraw/zinc/38/03/36/1302380336.db2.gz TZTRXTPJUIAFJB-UHFFFAOYSA-N 1 0 330.344 2.447 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229941194 1302992080 /nfs/dbraw/zinc/99/20/80/1302992080.db2.gz PCAMXVGJVCQGSF-VIFPVBQESA-N 1 0 348.140 2.282 20 5 EEBDRO Cc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Br ZINC001231004442 1303586130 /nfs/dbraw/zinc/58/61/30/1303586130.db2.gz MVOPGLXWPQCALH-SNVBAGLBSA-N 1 0 349.220 2.259 20 5 EEBDRO CSc1nc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2s1 ZINC001231376895 1303760557 /nfs/dbraw/zinc/76/05/57/1303760557.db2.gz PIEIKONBJUZQDI-SNVBAGLBSA-N 1 0 341.478 2.381 20 5 EEBDRO OCCC[NH+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218576 1304041128 /nfs/dbraw/zinc/04/11/28/1304041128.db2.gz IRYNRYPNCQEDQB-UHFFFAOYSA-N 1 0 336.439 2.283 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc([N+](=O)[O-])c4n3)[C@H]1CC(=O)C2 ZINC001233835678 1304610165 /nfs/dbraw/zinc/61/01/65/1304610165.db2.gz CAQIRHCWYUCTLO-NILFDRSVSA-N 1 0 327.340 2.326 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2nc(Cl)sc21 ZINC001234487317 1304940932 /nfs/dbraw/zinc/94/09/32/1304940932.db2.gz QOKCHDUUDOCLMY-SECBINFHSA-N 1 0 329.829 2.312 20 5 EEBDRO CC[C@H]1C[NH2+]CCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246801461 1310434582 /nfs/dbraw/zinc/43/45/82/1310434582.db2.gz FEFJLROOGBAFFL-NEPJUHHUSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1F ZINC001246882483 1310459337 /nfs/dbraw/zinc/45/93/37/1310459337.db2.gz RDGSJPGHIQVXBQ-UPJWGTAASA-N 1 0 337.395 2.500 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000842629907 1315738771 /nfs/dbraw/zinc/73/87/71/1315738771.db2.gz YYZRKZSCGYRYEX-CQSZACIVSA-N 1 0 338.371 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000843094768 1315840416 /nfs/dbraw/zinc/84/04/16/1315840416.db2.gz LRHGMJHMDWUJIV-YOEHRIQHSA-N 1 0 334.347 2.133 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000843093980 1315840479 /nfs/dbraw/zinc/84/04/79/1315840479.db2.gz SEYJMEITNSTFLQ-ROUUACIJSA-N 1 0 330.384 2.212 20 5 EEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000843154195 1315857023 /nfs/dbraw/zinc/85/70/23/1315857023.db2.gz YRSVMTRRFULXQL-CYBMUJFWSA-N 1 0 328.332 2.486 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843326610 1315891813 /nfs/dbraw/zinc/89/18/13/1315891813.db2.gz YPPQDBGDZIKRMN-JTQLQIEISA-N 1 0 329.759 2.140 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000843335855 1315893290 /nfs/dbraw/zinc/89/32/90/1315893290.db2.gz QYDSTJXSRQZNPL-SNVBAGLBSA-N 1 0 336.348 2.011 20 5 EEBDRO CC(C)[C@@](C)(CN)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843356424 1315899382 /nfs/dbraw/zinc/89/93/82/1315899382.db2.gz OEZHHXNOSAVUKL-OAHLLOKOSA-N 1 0 326.372 2.026 20 5 EEBDRO CC(C)c1ncncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151266429 1316492521 /nfs/dbraw/zinc/49/25/21/1316492521.db2.gz VFFLHVGPYSFDCT-UHFFFAOYSA-N 1 0 343.387 2.028 20 5 EEBDRO CCc1nc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001152296354 1316654875 /nfs/dbraw/zinc/65/48/75/1316654875.db2.gz GWKSBXSHVHIYKM-UHFFFAOYSA-N 1 0 348.428 2.062 20 5 EEBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)nc1 ZINC001249342550 1317056508 /nfs/dbraw/zinc/05/65/08/1317056508.db2.gz OBLRQGQKLAPTBA-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155596006 1317666038 /nfs/dbraw/zinc/66/60/38/1317666038.db2.gz GFWQVRILBOBCTL-YVEFUNNKSA-N 1 0 343.387 2.109 20 5 EEBDRO COc1cccc(N(c2ccc([N+](=O)[O-])c(N)n2)C2CC[NH2+]CC2)c1 ZINC001155606549 1317671633 /nfs/dbraw/zinc/67/16/33/1317671633.db2.gz WFCXWIKJTHZSIA-UHFFFAOYSA-N 1 0 343.387 2.471 20 5 EEBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001156125148 1317887879 /nfs/dbraw/zinc/88/78/79/1317887879.db2.gz IUYFXPJGEOKEMP-UHFFFAOYSA-N 1 0 338.389 2.171 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC001156419272 1318002187 /nfs/dbraw/zinc/00/21/87/1318002187.db2.gz UUXDDNFDOQNMCQ-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001254570961 1318125972 /nfs/dbraw/zinc/12/59/72/1318125972.db2.gz QVWWEBWNXPXDAI-FVQBIDKESA-N 1 0 331.416 2.469 20 5 EEBDRO COC(=O)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254580044 1318128827 /nfs/dbraw/zinc/12/88/27/1318128827.db2.gz ADHPMAQCHLYHIE-RHSMWYFYSA-N 1 0 341.367 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccnc(OCC3CC3)n1)C2 ZINC001254587642 1318135253 /nfs/dbraw/zinc/13/52/53/1318135253.db2.gz RVDHIRFLQCLYGE-MRXNPFEDSA-N 1 0 340.383 2.431 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156928717 1318296742 /nfs/dbraw/zinc/29/67/42/1318296742.db2.gz OPDIAZAWTUPPFR-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157272359 1318536173 /nfs/dbraw/zinc/53/61/73/1318536173.db2.gz MOFRIPRDGKOTJG-UVMHCMFPSA-N 1 0 331.420 2.053 20 5 EEBDRO CCC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087766 1318645150 /nfs/dbraw/zinc/64/51/50/1318645150.db2.gz OQTNQQZHDQCWNM-AWEZNQCLSA-N 1 0 337.420 2.323 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3ccc(-c4ccccc4[N+](=O)[O-])nn3)cc2C1 ZINC001157985426 1318960002 /nfs/dbraw/zinc/96/00/02/1318960002.db2.gz RYXZKRPDHDQNJU-LBPRGKRZSA-N 1 0 336.355 2.054 20 5 EEBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC001258018847 1319132647 /nfs/dbraw/zinc/13/26/47/1319132647.db2.gz GZQIQAFZJCIUSD-TXEJJXNPSA-N 1 0 332.360 2.297 20 5 EEBDRO CC(C)n1nccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001158850157 1319469397 /nfs/dbraw/zinc/46/93/97/1319469397.db2.gz SNLQJFLPQKUJLA-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO CC1(C)CC(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001160106840 1320071416 /nfs/dbraw/zinc/07/14/16/1320071416.db2.gz DPGXLKDNJMAMPZ-HZPDHXFCSA-N 1 0 335.448 2.226 20 5 EEBDRO COc1cc(C)nc(-n2nc(-c3ccncc3)cc2C[NH3+])c1[N+](=O)[O-] ZINC001160338984 1320138600 /nfs/dbraw/zinc/13/86/00/1320138600.db2.gz QUMLFNLURYHMTC-UHFFFAOYSA-N 1 0 340.343 2.013 20 5 EEBDRO COC(=O)c1cc(NC[C@]2(F)CCCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001162587000 1320905645 /nfs/dbraw/zinc/90/56/45/1320905645.db2.gz MGSLCAMMVXWHKW-HNNXBMFYSA-N 1 0 325.340 2.275 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001162760316 1320952414 /nfs/dbraw/zinc/95/24/14/1320952414.db2.gz YQTKULYPXSEOCM-VIFPVBQESA-N 1 0 341.327 2.135 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162794451 1320960315 /nfs/dbraw/zinc/96/03/15/1320960315.db2.gz PGLOAYBPTJZPOU-JVUFJMBOSA-N 1 0 330.722 2.056 20 5 EEBDRO CSc1nc(Cl)nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001162805582 1320963375 /nfs/dbraw/zinc/96/33/75/1320963375.db2.gz WXZPAVULDXXCPP-BQBZGAKWSA-N 1 0 335.792 2.120 20 5 EEBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163022468 1321017476 /nfs/dbraw/zinc/01/74/76/1321017476.db2.gz ZCSSKSRUOZCFRU-QPJJXVBHSA-N 1 0 348.794 2.284 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)n1 ZINC001163371142 1321107964 /nfs/dbraw/zinc/10/79/64/1321107964.db2.gz NNFXZJQFXGLDAC-NEPJUHHUSA-N 1 0 336.392 2.307 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001164451650 1321382826 /nfs/dbraw/zinc/38/28/26/1321382826.db2.gz BFKXYABMTAZCKE-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO COCCC[NH+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165097164 1321454627 /nfs/dbraw/zinc/45/46/27/1321454627.db2.gz GLJMAPVOZSTOLI-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CN(C)/C=C\c1cc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001165187549 1321468906 /nfs/dbraw/zinc/46/89/06/1321468906.db2.gz MOFRIPRDGKOTJG-YFZPWRCSSA-N 1 0 331.420 2.053 20 5 EEBDRO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165238489 1321481405 /nfs/dbraw/zinc/48/14/05/1321481405.db2.gz CBOBBXBBMKUHCU-ZDUSSCGKSA-N 1 0 343.840 2.340 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165325431 1321501114 /nfs/dbraw/zinc/50/11/14/1321501114.db2.gz ZTORGYZNFGPXPI-CYBMUJFWSA-N 1 0 340.811 2.240 20 5 EEBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001261435711 1322103109 /nfs/dbraw/zinc/10/31/09/1322103109.db2.gz CNLDOXNXBVFGCI-TXCZRRACSA-N 1 0 338.452 2.450 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001263108269 1322434489 /nfs/dbraw/zinc/43/44/89/1322434489.db2.gz SNRUDQQKCYFBOC-JZXOWHBKSA-N 1 0 329.400 2.300 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001263200826 1322442507 /nfs/dbraw/zinc/44/25/07/1322442507.db2.gz RTXJXCZPOQYRQY-HNNXBMFYSA-N 1 0 327.384 2.464 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC(=O)c1ccc2ccccc2c1 ZINC001205738102 1323276572 /nfs/dbraw/zinc/27/65/72/1323276572.db2.gz ODHPLTRYFKANAE-QGZVFWFLSA-N 1 0 330.404 2.023 20 5 EEBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001308664934 1331600404 /nfs/dbraw/zinc/60/04/04/1331600404.db2.gz BWFFMKJWLZRECM-OAHLLOKOSA-N 1 0 344.795 2.431 20 5 EEBDRO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001318866502 1332614490 /nfs/dbraw/zinc/61/44/90/1332614490.db2.gz RGVXOCXYYOPGGO-ZIAGYGMSSA-N 1 0 334.420 2.020 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322194422 1333225675 /nfs/dbraw/zinc/22/56/75/1333225675.db2.gz LNKWGXRGGXFYSG-HUUCEWRRSA-N 1 0 330.388 2.247 20 5 EEBDRO CC(C)(C)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC001323440420 1333464705 /nfs/dbraw/zinc/46/47/05/1333464705.db2.gz AZAJSDKUKQJKIC-UHFFFAOYSA-N 1 0 331.376 2.164 20 5 EEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609163330 1351871041 /nfs/dbraw/zinc/87/10/41/1351871041.db2.gz XPNMVFDHEIBZSV-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001326408609 1334087022 /nfs/dbraw/zinc/08/70/22/1334087022.db2.gz PEBHQCSVBCFDNU-OCCSQVGLSA-N 1 0 332.404 2.335 20 5 EEBDRO CCC[NH+]1CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001609215291 1351896294 /nfs/dbraw/zinc/89/62/94/1351896294.db2.gz ZNQWHBJWMXUTEU-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@@H]3C1)OCCO2 ZINC001337033245 1336634357 /nfs/dbraw/zinc/63/43/57/1336634357.db2.gz SBUGOVHYAGCTGI-IUODEOHRSA-N 1 0 334.372 2.367 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001337321071 1336683446 /nfs/dbraw/zinc/68/34/46/1336683446.db2.gz BFYKNJLWDBQBBZ-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001337944211 1336760579 /nfs/dbraw/zinc/76/05/79/1336760579.db2.gz VAOIJQMYDAEGPD-JQWIXIFHSA-N 1 0 349.416 2.202 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001340382761 1337172667 /nfs/dbraw/zinc/17/26/67/1337172667.db2.gz RHROMPPVMTZGKV-NSHDSACASA-N 1 0 335.385 2.166 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341979836 1337306432 /nfs/dbraw/zinc/30/64/32/1337306432.db2.gz BYOCCDHTKIDTSE-JZXOWHBKSA-N 1 0 329.400 2.443 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CCCN(Cc2cc(C)on2)CC1 ZINC001342864589 1337322853 /nfs/dbraw/zinc/32/28/53/1337322853.db2.gz QHRCFAXXIMDOBX-UHFFFAOYSA-N 1 0 347.375 2.007 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000088138879 1356757091 /nfs/dbraw/zinc/75/70/91/1356757091.db2.gz MLMXAXJNNKFFGK-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001575942580 1343920131 /nfs/dbraw/zinc/92/01/31/1343920131.db2.gz GFPJXFFVZHACHY-VIFPVBQESA-N 1 0 344.209 2.143 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001576487623 1344022379 /nfs/dbraw/zinc/02/23/79/1344022379.db2.gz VJTCSDXIBPYCMP-NSHDSACASA-N 1 0 329.303 2.067 20 5 EEBDRO CC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001578234215 1344253775 /nfs/dbraw/zinc/25/37/75/1344253775.db2.gz OMLHMPTUUZMSLN-RDJZCZTQSA-N 1 0 344.419 2.352 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580258797 1344502079 /nfs/dbraw/zinc/50/20/79/1344502079.db2.gz YIFLSVIBTLTSAO-PSASIEDQSA-N 1 0 331.294 2.471 20 5 EEBDRO C[C@H](CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001589876081 1349053368 /nfs/dbraw/zinc/05/33/68/1349053368.db2.gz NRFTWPXCDZINRY-SNVBAGLBSA-N 1 0 349.370 2.058 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590258911 1349234739 /nfs/dbraw/zinc/23/47/39/1349234739.db2.gz FOYNSIOUNSAPLF-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591065369 1349437101 /nfs/dbraw/zinc/43/71/01/1349437101.db2.gz MJJSBDRAYFAANX-LBPRGKRZSA-N 1 0 345.407 2.086 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)c1 ZINC001593478579 1349811482 /nfs/dbraw/zinc/81/14/82/1349811482.db2.gz WENHOTBNSBJJCC-CABCVRRESA-N 1 0 343.391 2.204 20 5 EEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605733090 1351219571 /nfs/dbraw/zinc/21/95/71/1351219571.db2.gz ZVFMYJCJZNQILD-LBPRGKRZSA-N 1 0 345.407 2.226 20 5 EEBDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558296 1368035778 /nfs/dbraw/zinc/03/57/78/1368035778.db2.gz YQDHJIOJBYFTCK-NSHDSACASA-N 1 0 332.404 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000852713560 1369296013 /nfs/dbraw/zinc/29/60/13/1369296013.db2.gz KHDYJCFBPXCBJZ-JKSUJKDBSA-N 1 0 338.310 2.230 20 5 EEBDRO CC1(C)CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000853512053 1369343352 /nfs/dbraw/zinc/34/33/52/1369343352.db2.gz XOYTVVOBVQTHBT-UHFFFAOYSA-N 1 0 329.347 2.425 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000862793476 1369547937 /nfs/dbraw/zinc/54/79/37/1369547937.db2.gz PVKKZBDQQFTRPR-JTQLQIEISA-N 1 0 349.416 2.061 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886672903 1369643692 /nfs/dbraw/zinc/64/36/92/1369643692.db2.gz WUSSUYAJHGZGTK-BYCMXARLSA-N 1 0 326.368 2.185 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001115144962 1371529790 /nfs/dbraw/zinc/52/97/90/1371529790.db2.gz VYHJBSIVCRTYJG-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000838859069 1372866993 /nfs/dbraw/zinc/86/69/93/1372866993.db2.gz CESYQUKUVFCYMB-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO Cc1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001347891158 1372976034 /nfs/dbraw/zinc/97/60/34/1372976034.db2.gz SCJYVBCDLKWDGD-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000848351979 1373140434 /nfs/dbraw/zinc/14/04/34/1373140434.db2.gz IWGAJQOSAYFBMG-KBPBESRZSA-N 1 0 332.404 2.232 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623497 1373162401 /nfs/dbraw/zinc/16/24/01/1373162401.db2.gz KFXOGLNRERLQOO-YVEFUNNKSA-N 1 0 344.371 2.434 20 5 EEBDRO CN(CC(C)(C)C[NH2+]C/C(Cl)=C\Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755280274 1407290368 /nfs/dbraw/zinc/29/03/68/1407290368.db2.gz DUKGAVLJGLCCIN-UJQHZETGSA-N 1 0 338.235 2.045 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104395736 760127237 /nfs/dbraw/zinc/12/72/37/760127237.db2.gz AQHAJUOTIMEFKE-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CCN(CCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc([N+](=O)[O-])cc1 ZINC001100646103 761129825 /nfs/dbraw/zinc/12/98/25/761129825.db2.gz JSVIEUWVSCHETG-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1cc([N+](=O)[O-])cn1 ZINC000173516387 765587713 /nfs/dbraw/zinc/58/77/13/765587713.db2.gz NRAVBSPQEIPQPO-INIZCTEOSA-N 1 0 329.404 2.203 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262756120 769191752 /nfs/dbraw/zinc/19/17/52/769191752.db2.gz POIZFOUKPCAHNT-MWLCHTKSSA-N 1 0 347.824 2.139 20 5 EEBDRO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC000981138644 776586396 /nfs/dbraw/zinc/58/63/96/776586396.db2.gz XANMDWNWOYESGP-HUUCEWRRSA-N 1 0 337.445 2.064 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001211700935 778197815 /nfs/dbraw/zinc/19/78/15/778197815.db2.gz CZKXWYHUMIBHKP-UQPYNNQESA-N 1 0 333.323 2.252 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1-n1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000809736140 783313491 /nfs/dbraw/zinc/31/34/91/783313491.db2.gz GOXIRDUFADDXGO-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO Cc1nn2c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)c(C)nc2s1 ZINC000809736309 783337095 /nfs/dbraw/zinc/33/70/95/783337095.db2.gz OLCFFUFRLIGYAF-UHFFFAOYSA-N 1 0 346.416 2.281 20 5 EEBDRO Cc1cnc(CCCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001129099386 783959832 /nfs/dbraw/zinc/95/98/32/783959832.db2.gz UTVYTYVXKXYXDM-UHFFFAOYSA-N 1 0 346.387 2.120 20 5 EEBDRO CSc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000816533439 784100678 /nfs/dbraw/zinc/10/06/78/784100678.db2.gz WHDUYZKGPMHAFJ-UHFFFAOYSA-N 1 0 325.390 2.072 20 5 EEBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC([NH3+])CC1 ZINC000818529388 785272971 /nfs/dbraw/zinc/27/29/71/785272971.db2.gz XQBVTQRQOBRDKJ-UHFFFAOYSA-N 1 0 343.387 2.122 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818560217 785292359 /nfs/dbraw/zinc/29/23/59/785292359.db2.gz DSGFBAXKTLYJDF-GWCFXTLKSA-N 1 0 336.348 2.153 20 5 EEBDRO Nc1c(OCC[C@@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000818619922 785303486 /nfs/dbraw/zinc/30/34/86/785303486.db2.gz OFKPDYXSSGDNGV-QMMMGPOBSA-N 1 0 330.182 2.318 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000818603534 785318864 /nfs/dbraw/zinc/31/88/64/785318864.db2.gz BSKMMKHECIHRLV-CYBMUJFWSA-N 1 0 341.770 2.188 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000818947918 785337562 /nfs/dbraw/zinc/33/75/62/785337562.db2.gz UMZSWVDRFUDQAS-QGZVFWFLSA-N 1 0 342.399 2.413 20 5 EEBDRO O=C1Nc2ccccc2[C@@H]1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818978406 785347720 /nfs/dbraw/zinc/34/77/20/785347720.db2.gz JLNVGDSMTLFWHD-DOTOQJQBSA-N 1 0 341.367 2.344 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000819059284 785380394 /nfs/dbraw/zinc/38/03/94/785380394.db2.gz FEEJRPFMQQFQQH-XEZPLFJOSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819110618 785429132 /nfs/dbraw/zinc/42/91/32/785429132.db2.gz FQOLVBCNKVDGEA-INIZCTEOSA-N 1 0 331.328 2.369 20 5 EEBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC000996428824 786395322 /nfs/dbraw/zinc/39/53/22/786395322.db2.gz IKEBQAOMOUMWIB-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127740986 786594658 /nfs/dbraw/zinc/59/46/58/786594658.db2.gz YRKPTGOTFREBTM-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107474316 787347556 /nfs/dbraw/zinc/34/75/56/787347556.db2.gz QXWDNIWVGHCQEA-PLNGDYQASA-N 1 0 334.420 2.329 20 5 EEBDRO Nc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1[N+](=O)[O-] ZINC000823981067 788007594 /nfs/dbraw/zinc/00/75/94/788007594.db2.gz UIPLDQWWUMJJFE-UHFFFAOYSA-N 1 0 331.376 2.045 20 5 EEBDRO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000825046487 788414618 /nfs/dbraw/zinc/41/46/18/788414618.db2.gz URPXOXJCMOKFFV-WWGRRREGSA-N 1 0 335.404 2.007 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845481824 789825641 /nfs/dbraw/zinc/82/56/41/789825641.db2.gz CPQHXECAWAHAPX-JTQLQIEISA-N 1 0 330.791 2.435 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001093889304 795767869 /nfs/dbraw/zinc/76/78/69/795767869.db2.gz YSFHCZAZFXHHFY-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1ccc(NCCNC(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001094033525 795886394 /nfs/dbraw/zinc/88/63/94/795886394.db2.gz QMEDHNGDCCFUHT-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3COC[C@@H]3F)CC2)c(F)c1 ZINC001173014134 797196950 /nfs/dbraw/zinc/19/69/50/797196950.db2.gz LPALOHNTDMLLKS-UONOGXRCSA-N 1 0 345.321 2.168 20 5 EEBDRO CCOC(=O)[C@H](C)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181496 797279556 /nfs/dbraw/zinc/27/95/56/797279556.db2.gz FAAGBYNTULUMJR-GHMZBOCLSA-N 1 0 342.367 2.462 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCC2OCCO2)c1F ZINC001173197617 797284150 /nfs/dbraw/zinc/28/41/50/797284150.db2.gz VOQMJXFAKZUABC-NSHDSACASA-N 1 0 342.367 2.368 20 5 EEBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)cc1 ZINC001174478550 797778929 /nfs/dbraw/zinc/77/89/29/797778929.db2.gz OKOPRUQBBHUPQP-UHFFFAOYSA-N 1 0 342.399 2.453 20 5 EEBDRO COc1cc(C(=O)OCCC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000785926356 806622254 /nfs/dbraw/zinc/62/22/54/806622254.db2.gz VDBZWQQOMIAPPR-UHFFFAOYSA-N 1 0 348.302 2.313 20 5 EEBDRO COCCC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177692077 799084296 /nfs/dbraw/zinc/08/42/96/799084296.db2.gz SDBZTQNGSWEDKM-UHFFFAOYSA-N 1 0 343.449 2.459 20 5 EEBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922677119 801657733 /nfs/dbraw/zinc/65/77/33/801657733.db2.gz OCNUSXCZHOSQCC-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001086373833 802847932 /nfs/dbraw/zinc/84/79/32/802847932.db2.gz QLONDHAELIJNDQ-CTYIDZIISA-N 1 0 328.372 2.221 20 5 EEBDRO Cc1ncn(-c2c(Cl)nccc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168786300 803344410 /nfs/dbraw/zinc/34/44/10/803344410.db2.gz MLCCMBOGRDFYGC-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC001168986239 803542294 /nfs/dbraw/zinc/54/22/94/803542294.db2.gz XGSCYSQLMJFYPH-GDBMZVCRSA-N 1 0 331.416 2.391 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962967 803551475 /nfs/dbraw/zinc/55/14/75/803551475.db2.gz NMRLHFCRWBCGLX-DGAVXFQQSA-N 1 0 345.415 2.369 20 5 EEBDRO COc1cccc(Cn2cnc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2)c1 ZINC001168998801 803563938 /nfs/dbraw/zinc/56/39/38/803563938.db2.gz QFPKUPIFOSFNTI-CVEARBPZSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998883 803564754 /nfs/dbraw/zinc/56/47/54/803564754.db2.gz QTNIDTBSVCALFD-VGWMRTNUSA-N 1 0 325.453 2.495 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169007468 803568858 /nfs/dbraw/zinc/56/88/58/803568858.db2.gz OCRZHSKCRBBWJT-MGPQQGTHSA-N 1 0 339.436 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012496 803571175 /nfs/dbraw/zinc/57/11/75/803571175.db2.gz QPKNABSYNRUDJP-CHWSQXEVSA-N 1 0 325.409 2.127 20 5 EEBDRO O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990396 803573825 /nfs/dbraw/zinc/57/38/25/803573825.db2.gz CGQGXTRWQRFJLS-RDBSUJKOSA-N 1 0 335.379 2.075 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(Cl)nn3)CC2)C1 ZINC001169039703 803582741 /nfs/dbraw/zinc/58/27/41/803582741.db2.gz SMOPVPULMKRWRQ-VXGBXAGGSA-N 1 0 340.811 2.419 20 5 EEBDRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022262 803588688 /nfs/dbraw/zinc/58/86/88/803588688.db2.gz RKALXKPOUXIZLG-KBPBESRZSA-N 1 0 334.420 2.110 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ncc3c2cccc3C[NH3+])c1 ZINC001169192958 803645831 /nfs/dbraw/zinc/64/58/31/803645831.db2.gz POBDGAHAMWIDRE-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO COC(=O)C12CC([NH2+][C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])(C1)C2 ZINC001170297221 809869860 /nfs/dbraw/zinc/86/98/60/809869860.db2.gz MGAKAGSYEXOUSO-OSSATUEASA-N 1 0 334.372 2.220 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170312724 809886358 /nfs/dbraw/zinc/88/63/58/809886358.db2.gz HHLJXXMMWMGJIH-WBMJQRKESA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC001170335656 809899173 /nfs/dbraw/zinc/89/91/73/809899173.db2.gz PYCSCNVVYZRCPP-CYBMUJFWSA-N 1 0 336.388 2.373 20 5 EEBDRO COc1ccc(C[C@@H](C)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170354188 809902621 /nfs/dbraw/zinc/90/26/21/809902621.db2.gz IHMAUDDSMZVTBR-DDUZABMNSA-N 1 0 333.432 2.418 20 5 EEBDRO CCc1cnccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130608186 811839282 /nfs/dbraw/zinc/83/92/82/811839282.db2.gz WVYSLIHPWCCCFP-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001526682620 1120568675 /nfs/dbraw/zinc/56/86/75/1120568675.db2.gz FSWUFMTWUSWMTG-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO C[NH+]1CCN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000039956417 202167246 /nfs/dbraw/zinc/16/72/46/202167246.db2.gz GEHWKQQUJZOCIA-UHFFFAOYSA-N 1 0 332.326 2.273 20 5 EEBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184843279 283317938 /nfs/dbraw/zinc/31/79/38/283317938.db2.gz QQVMWIMNWIYPTB-HUUCEWRRSA-N 1 0 344.371 2.384 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000229717856 201043525 /nfs/dbraw/zinc/04/35/25/201043525.db2.gz BNGJYDRTTUONDI-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc([N+](=O)[O-])c1 ZINC000261975190 201201709 /nfs/dbraw/zinc/20/17/09/201201709.db2.gz ZOCAWYHIJOWGQI-JTQLQIEISA-N 1 0 332.385 2.428 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423718602 240582452 /nfs/dbraw/zinc/58/24/52/240582452.db2.gz LKUXANGUBYBQSA-KBPBESRZSA-N 1 0 347.415 2.455 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829687 240653931 /nfs/dbraw/zinc/65/39/31/240653931.db2.gz SJCRZMNVZRNMPS-HUUCEWRRSA-N 1 0 349.435 2.253 20 5 EEBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000447091236 242245583 /nfs/dbraw/zinc/24/55/83/242245583.db2.gz PQHLFLFBIWTIGN-CYBMUJFWSA-N 1 0 333.367 2.226 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451498302 243134405 /nfs/dbraw/zinc/13/44/05/243134405.db2.gz XFOHPLKPLDCWNZ-XKQJLSEDSA-N 1 0 345.399 2.389 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000246403282 243245473 /nfs/dbraw/zinc/24/54/73/243245473.db2.gz XZMCELJAGZYRJG-BBRMVZONSA-N 1 0 335.404 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459253278 245049500 /nfs/dbraw/zinc/04/95/00/245049500.db2.gz HJYVVTXXMXIQIL-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000236819295 203971119 /nfs/dbraw/zinc/97/11/19/203971119.db2.gz JXKWLGFRRGALTG-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000236865549 204024011 /nfs/dbraw/zinc/02/40/11/204024011.db2.gz ALSGUPJKNFHNNV-NSHDSACASA-N 1 0 339.392 2.249 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129629264 205205037 /nfs/dbraw/zinc/20/50/37/205205037.db2.gz UUODPLMJUMRIJI-VIFPVBQESA-N 1 0 331.294 2.295 20 5 EEBDRO Cc1nccn1CCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000129857675 205213023 /nfs/dbraw/zinc/21/30/23/205213023.db2.gz IJXZHGDFQBVTLI-UHFFFAOYSA-N 1 0 342.359 2.186 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000133137728 205358806 /nfs/dbraw/zinc/35/88/06/205358806.db2.gz CFIOPGNKYDQGLS-GFCCVEGCSA-N 1 0 348.359 2.474 20 5 EEBDRO CCCCNC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000132800936 205343062 /nfs/dbraw/zinc/34/30/62/205343062.db2.gz KWQBQACYPYDYHW-UHFFFAOYSA-N 1 0 337.424 2.000 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000112074976 220240056 /nfs/dbraw/zinc/24/00/56/220240056.db2.gz ZKNNHKBDPCJSSC-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000156271261 206066938 /nfs/dbraw/zinc/06/69/38/206066938.db2.gz GKUKOONPBMAHJE-WCQYABFASA-N 1 0 332.404 2.369 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000157031179 206112872 /nfs/dbraw/zinc/11/28/72/206112872.db2.gz YQSUSAQGHMBYIF-IAQYHMDHSA-N 1 0 343.387 2.027 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450729 246955000 /nfs/dbraw/zinc/95/50/00/246955000.db2.gz KVYDIGPNBWOLBQ-GJZGRUSLSA-N 1 0 345.403 2.072 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000265027966 247145296 /nfs/dbraw/zinc/14/52/96/247145296.db2.gz WYCIQSSFDCTLMZ-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266031446 248047907 /nfs/dbraw/zinc/04/79/07/248047907.db2.gz SBHULYJJMQNSDU-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000266451277 248307602 /nfs/dbraw/zinc/30/76/02/248307602.db2.gz AYMQSHDFCLVMKU-GOEBONIOSA-N 1 0 332.404 2.063 20 5 EEBDRO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266513170 248339142 /nfs/dbraw/zinc/33/91/42/248339142.db2.gz FILSGZNBWBIVON-INIZCTEOSA-N 1 0 336.367 2.204 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359026033 284680632 /nfs/dbraw/zinc/68/06/32/284680632.db2.gz LPCGCELPHZSLLI-KBPBESRZSA-N 1 0 349.435 2.434 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359026040 284729622 /nfs/dbraw/zinc/72/96/22/284729622.db2.gz LPCGCELPHZSLLI-ZIAGYGMSSA-N 1 0 349.435 2.434 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174558215 207029917 /nfs/dbraw/zinc/02/99/17/207029917.db2.gz WMUNYLNTBMSQCM-ZDUSSCGKSA-N 1 0 332.404 2.125 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180661848 207816541 /nfs/dbraw/zinc/81/65/41/207816541.db2.gz YEHIAXGEVRSLHQ-STQMWFEESA-N 1 0 334.420 2.275 20 5 EEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000153748146 224151751 /nfs/dbraw/zinc/15/17/51/224151751.db2.gz IPPPFSSAHWCULO-ZDUSSCGKSA-N 1 0 325.796 2.343 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269194905 255542921 /nfs/dbraw/zinc/54/29/21/255542921.db2.gz LEHBAMVXZLGALB-DGCLKSJQSA-N 1 0 332.404 2.287 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000268126610 256115967 /nfs/dbraw/zinc/11/59/67/256115967.db2.gz DABPIYCOYSCYAO-GXTWGEPZSA-N 1 0 328.372 2.316 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270532416 256145296 /nfs/dbraw/zinc/14/52/96/256145296.db2.gz OOFJZUACTQIVCG-HNNXBMFYSA-N 1 0 334.420 2.121 20 5 EEBDRO COc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000272851469 256243517 /nfs/dbraw/zinc/24/35/17/256243517.db2.gz QHANGDTYCIQEEJ-UHFFFAOYSA-N 1 0 334.376 2.163 20 5 EEBDRO C[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@@H]1C1CC1 ZINC000273071101 256262905 /nfs/dbraw/zinc/26/29/05/256262905.db2.gz OJLDAUVQKXUVNN-QZTJIDSGSA-N 1 0 345.399 2.031 20 5 EEBDRO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000273161023 256271354 /nfs/dbraw/zinc/27/13/54/256271354.db2.gz ZFLHYSCAHGLTOO-SECBINFHSA-N 1 0 331.825 2.407 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274076285 256351632 /nfs/dbraw/zinc/35/16/32/256351632.db2.gz RXHXYUVEXOREFE-NEPJUHHUSA-N 1 0 337.376 2.101 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356620020 141027219 /nfs/dbraw/zinc/02/72/19/141027219.db2.gz IHGSZTHHUFPMTN-KBPBESRZSA-N 1 0 349.435 2.055 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000348164355 144745369 /nfs/dbraw/zinc/74/53/69/144745369.db2.gz SIHNQWLUGOHGFK-UHFFFAOYSA-N 1 0 348.403 2.164 20 5 EEBDRO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665269 292168210 /nfs/dbraw/zinc/16/82/10/292168210.db2.gz KYJLLNBFQBASAY-GFCCVEGCSA-N 1 0 336.392 2.208 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000089899058 292213793 /nfs/dbraw/zinc/21/37/93/292213793.db2.gz BNQQXJRSLUPWEL-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173848352 152202601 /nfs/dbraw/zinc/20/26/01/152202601.db2.gz KGUSCMHVTGMSKF-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374322447 154050387 /nfs/dbraw/zinc/05/03/87/154050387.db2.gz DARUNCYQFVLKEX-NVXWUHKLSA-N 1 0 332.448 2.053 20 5 EEBDRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261821012 160419665 /nfs/dbraw/zinc/41/96/65/160419665.db2.gz UNHYCFWZNXRGGG-WDEREUQCSA-N 1 0 340.811 2.259 20 5 EEBDRO Cc1ccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000131582359 292389986 /nfs/dbraw/zinc/38/99/86/292389986.db2.gz ITGCRBREQRPDDI-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO O=[N+]([O-])c1ccccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000071887009 159037466 /nfs/dbraw/zinc/03/74/66/159037466.db2.gz RGDJGXKPUBEDQP-MRXNPFEDSA-N 1 0 327.384 2.426 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245553561 160242195 /nfs/dbraw/zinc/24/21/95/160242195.db2.gz RJYAEKJIUIASLB-CZUORRHYSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338019092 160694265 /nfs/dbraw/zinc/69/42/65/160694265.db2.gz OQAVOYYPJZIKKK-CYBMUJFWSA-N 1 0 345.403 2.497 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000340297433 160918409 /nfs/dbraw/zinc/91/84/09/160918409.db2.gz YPIXAEBHZWVCAY-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341648860 161002733 /nfs/dbraw/zinc/00/27/33/161002733.db2.gz ZVLPNAIMSQERGB-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)n1 ZINC000342384982 161061337 /nfs/dbraw/zinc/06/13/37/161061337.db2.gz YOQVKTYGMBHAMW-UHFFFAOYSA-N 1 0 329.360 2.025 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000344116638 161199765 /nfs/dbraw/zinc/19/97/65/161199765.db2.gz OIQPMMMRSOZOGB-WBAXXEDZSA-N 1 0 347.415 2.210 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345518796 161308122 /nfs/dbraw/zinc/30/81/22/161308122.db2.gz KKSVGXPQPJIMNU-UONOGXRCSA-N 1 0 334.420 2.261 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CCCCC1 ZINC000345845412 161337186 /nfs/dbraw/zinc/33/71/86/161337186.db2.gz DWUPJUKAHPCERU-UHFFFAOYSA-N 1 0 335.404 2.402 20 5 EEBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(-n2ccnc2)c1 ZINC000346521329 161379025 /nfs/dbraw/zinc/37/90/25/161379025.db2.gz INYBGBCPHKGXBM-LBPRGKRZSA-N 1 0 326.360 2.365 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000352506817 162162594 /nfs/dbraw/zinc/16/25/94/162162594.db2.gz AAYOXEVMZDUQHN-YPMHNXCESA-N 1 0 325.434 2.422 20 5 EEBDRO Cn1c2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2oc1=O ZINC000352634226 162221756 /nfs/dbraw/zinc/22/17/56/162221756.db2.gz XTHJOUZIJHCLCH-UHFFFAOYSA-N 1 0 327.340 2.372 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354371324 162845666 /nfs/dbraw/zinc/84/56/66/162845666.db2.gz HAVSOWRUJPSKAW-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000355452205 163195000 /nfs/dbraw/zinc/19/50/00/163195000.db2.gz ZFMFENPYXMKXBV-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+]1CCCC1 ZINC000357960424 163799398 /nfs/dbraw/zinc/79/93/98/163799398.db2.gz LWPJWLJEPXKTMS-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375739142 167182322 /nfs/dbraw/zinc/18/23/22/167182322.db2.gz XNRZHMLCGBEUKR-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[C@H]1O ZINC000270154314 268795757 /nfs/dbraw/zinc/79/57/57/268795757.db2.gz ROMBIGUKZKGLRW-TZMCWYRMSA-N 1 0 332.360 2.238 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1SC ZINC000272280802 268944145 /nfs/dbraw/zinc/94/41/45/268944145.db2.gz ONLFUCMKKQFVAY-UWVGGRQHSA-N 1 0 339.417 2.135 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272674315 269006450 /nfs/dbraw/zinc/00/64/50/269006450.db2.gz UKDWBHQHQZZZDM-IAQYHMDHSA-N 1 0 337.807 2.343 20 5 EEBDRO COCCOCCOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274421260 269033002 /nfs/dbraw/zinc/03/30/02/269033002.db2.gz QLZVCEXYDMARTP-UHFFFAOYSA-N 1 0 346.811 2.408 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000277367353 269151343 /nfs/dbraw/zinc/15/13/43/269151343.db2.gz VGPSQUWKSDPEOW-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000277551100 269161406 /nfs/dbraw/zinc/16/14/06/269161406.db2.gz CFIDYBOERULLKJ-UTUOFQBUSA-N 1 0 345.403 2.349 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000277687215 269172086 /nfs/dbraw/zinc/17/20/86/269172086.db2.gz VLLNVMXBJYSPRA-XJKSGUPXSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278352077 269225006 /nfs/dbraw/zinc/22/50/06/269225006.db2.gz JTLCNRLMAVLGPZ-JTQLQIEISA-N 1 0 347.341 2.056 20 5 EEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000415381755 273563776 /nfs/dbraw/zinc/56/37/76/273563776.db2.gz JCMBCVJTDGRSRQ-CQSZACIVSA-N 1 0 343.387 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246174432 274118944 /nfs/dbraw/zinc/11/89/44/274118944.db2.gz BLVCZGCBHZUDFQ-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000274508226 274201559 /nfs/dbraw/zinc/20/15/59/274201559.db2.gz UAJTYYGMPZCMDP-LLVKDONJSA-N 1 0 327.816 2.081 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275101923 274222900 /nfs/dbraw/zinc/22/29/00/274222900.db2.gz KDCHDDFJYKLNAP-NWDGAFQWSA-N 1 0 341.458 2.308 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262708434 274420782 /nfs/dbraw/zinc/42/07/82/274420782.db2.gz CACGHDKVSPBCMD-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286509096 274879191 /nfs/dbraw/zinc/87/91/91/274879191.db2.gz YVWCFVYTPZODTQ-QWHCGFSZSA-N 1 0 348.403 2.230 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286967775 274922696 /nfs/dbraw/zinc/92/26/96/274922696.db2.gz GCCUGNDTFFGRRE-GDBMZVCRSA-N 1 0 346.431 2.482 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000287258663 274948996 /nfs/dbraw/zinc/94/89/96/274948996.db2.gz KAOVFSKYPIISHQ-AWEZNQCLSA-N 1 0 338.839 2.464 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420253286 275034801 /nfs/dbraw/zinc/03/48/01/275034801.db2.gz PKTHJXCTRNBNKB-MRXNPFEDSA-N 1 0 329.360 2.225 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000288444379 275058984 /nfs/dbraw/zinc/05/89/84/275058984.db2.gz NMFQOAAPZRPLIJ-GFCCVEGCSA-N 1 0 330.388 2.171 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290281141 275194612 /nfs/dbraw/zinc/19/46/12/275194612.db2.gz ZPDJEXOMZLIVKO-GIZXNFQBSA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290532909 275215828 /nfs/dbraw/zinc/21/58/28/275215828.db2.gz HOAXVULSQNWICO-LLVKDONJSA-N 1 0 335.408 2.011 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000291095351 275269797 /nfs/dbraw/zinc/26/97/97/275269797.db2.gz ILUKZPLVDWNPDG-BBWFWOEESA-N 1 0 349.431 2.162 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291383083 275300011 /nfs/dbraw/zinc/30/00/11/275300011.db2.gz AWJUJKKXNBSWET-SFHVURJKSA-N 1 0 344.415 2.109 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cccn2)C1 ZINC000291696305 275330957 /nfs/dbraw/zinc/33/09/57/275330957.db2.gz HSNIKLLKMAPWIB-SWLSCSKDSA-N 1 0 329.360 2.065 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000291731480 275334554 /nfs/dbraw/zinc/33/45/54/275334554.db2.gz AOKSBWIVHASXSR-CYBMUJFWSA-N 1 0 345.403 2.239 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000292176110 275388587 /nfs/dbraw/zinc/38/85/87/275388587.db2.gz WKEZXTMRXFYZBS-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214384 275395060 /nfs/dbraw/zinc/39/50/60/275395060.db2.gz ONYYLDOTLRPGRD-GUYCJALGSA-N 1 0 343.383 2.221 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292223333 275396769 /nfs/dbraw/zinc/39/67/69/275396769.db2.gz BXDPYXXEJIXKNN-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000352805655 277175117 /nfs/dbraw/zinc/17/51/17/277175117.db2.gz PVXSFIKBNCZBFW-NHYWBVRUSA-N 1 0 328.372 2.242 20 5 EEBDRO CCc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270606221 281399197 /nfs/dbraw/zinc/39/91/97/281399197.db2.gz DSCUSRRNDDDALE-HUUCEWRRSA-N 1 0 337.445 2.275 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175960683 289307269 /nfs/dbraw/zinc/30/72/69/289307269.db2.gz YDQGCGCDYLZHAL-GOEBONIOSA-N 1 0 334.420 2.309 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281770375 292786016 /nfs/dbraw/zinc/78/60/16/292786016.db2.gz SITJUVPVZOOOGK-SFHVURJKSA-N 1 0 344.367 2.234 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293070047 293117645 /nfs/dbraw/zinc/11/76/45/293117645.db2.gz VIRDIGBFQLNQBB-XJKSGUPXSA-N 1 0 345.403 2.385 20 5 EEBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293221575 293155027 /nfs/dbraw/zinc/15/50/27/293155027.db2.gz XYJBBRZODVIQBB-INIZCTEOSA-N 1 0 335.404 2.310 20 5 EEBDRO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000293234089 293157963 /nfs/dbraw/zinc/15/79/63/293157963.db2.gz HIRKKMSLKNNDDP-ROUUACIJSA-N 1 0 330.384 2.164 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000296859365 294085697 /nfs/dbraw/zinc/08/56/97/294085697.db2.gz YTFVPIQNCWFKEO-KBPBESRZSA-N 1 0 346.431 2.338 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448671 294247002 /nfs/dbraw/zinc/24/70/02/294247002.db2.gz JFPQONIUENUFNQ-AAEUAGOBSA-N 1 0 333.388 2.347 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000297943071 294379275 /nfs/dbraw/zinc/37/92/75/294379275.db2.gz SCAXDENRAGRHMY-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000420597054 295189601 /nfs/dbraw/zinc/18/96/01/295189601.db2.gz IAEJHFLRDLLHDB-ZDUSSCGKSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000247331417 297233150 /nfs/dbraw/zinc/23/31/50/297233150.db2.gz VAZMTDZSDFKSOI-NFAWXSAZSA-N 1 0 346.431 2.169 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000332386243 311999541 /nfs/dbraw/zinc/99/95/41/311999541.db2.gz JLYOOTYOUOLHMH-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000332440682 312008054 /nfs/dbraw/zinc/00/80/54/312008054.db2.gz ZSTCAIGMKIQEFY-UKRRQHHQSA-N 1 0 346.431 2.250 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000332580469 312028492 /nfs/dbraw/zinc/02/84/92/312028492.db2.gz HTOJNPZYABJIHN-KGLIPLIRSA-N 1 0 332.404 2.010 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCC(O)CC1)CCCC2 ZINC000417326972 313486311 /nfs/dbraw/zinc/48/63/11/313486311.db2.gz DIFPEFSMDOMFTJ-SFHVURJKSA-N 1 0 333.432 2.409 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000417998347 313682593 /nfs/dbraw/zinc/68/25/93/313682593.db2.gz UVELGWSGBIWXHQ-NSHDSACASA-N 1 0 340.811 2.090 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000418607505 313858868 /nfs/dbraw/zinc/85/88/68/313858868.db2.gz AWFZNOROVKICEM-JSGCOSHPSA-N 1 0 332.404 2.409 20 5 EEBDRO CS(=O)(=O)c1cccc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000439122473 315068719 /nfs/dbraw/zinc/06/87/19/315068719.db2.gz YMNZEHXFSOHDHO-UHFFFAOYSA-N 1 0 339.417 2.039 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000448726045 315381974 /nfs/dbraw/zinc/38/19/74/315381974.db2.gz RDLHIHFZMLEAFK-GJZGRUSLSA-N 1 0 345.399 2.301 20 5 EEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000449100798 315417129 /nfs/dbraw/zinc/41/71/29/315417129.db2.gz SMGNASFFTCTUFP-OAHLLOKOSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000507272162 316376733 /nfs/dbraw/zinc/37/67/33/316376733.db2.gz KEMZERREXPUCKE-OUJBWJOFSA-N 1 0 339.417 2.272 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000515651847 316510682 /nfs/dbraw/zinc/51/06/82/316510682.db2.gz WTYFBBXLFSQXHJ-UKRRQHHQSA-N 1 0 346.431 2.068 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524879224 317033137 /nfs/dbraw/zinc/03/31/37/317033137.db2.gz HHECXOVEYORPNU-HIFRSBDPSA-N 1 0 349.431 2.477 20 5 EEBDRO CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525271332 317052339 /nfs/dbraw/zinc/05/23/39/317052339.db2.gz ZPHKZOUPWLHTHD-QGZVFWFLSA-N 1 0 332.404 2.373 20 5 EEBDRO C[C@H]1CN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000532215462 317848123 /nfs/dbraw/zinc/84/81/23/317848123.db2.gz RHRRDDLFFDMVHT-YOEHRIQHSA-N 1 0 333.432 2.226 20 5 EEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417288 318187448 /nfs/dbraw/zinc/18/74/48/318187448.db2.gz SCBSHYVVKBQTJU-FZMZJTMJSA-N 1 0 339.392 2.191 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000546024362 318241313 /nfs/dbraw/zinc/24/13/13/318241313.db2.gz RTSOKCFHEGODAU-BLLLJJGKSA-N 1 0 330.388 2.355 20 5 EEBDRO Cc1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000546035960 318242288 /nfs/dbraw/zinc/24/22/88/318242288.db2.gz BGAQVNHIGTVQPV-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562993867 318954650 /nfs/dbraw/zinc/95/46/50/318954650.db2.gz QGGBLAYEBYHKPW-MRXNPFEDSA-N 1 0 346.383 2.312 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575186010 320094451 /nfs/dbraw/zinc/09/44/51/320094451.db2.gz QXEJEXVJDDOKMS-SFHVURJKSA-N 1 0 342.399 2.328 20 5 EEBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1CC(F)(F)F ZINC000575328977 320101522 /nfs/dbraw/zinc/10/15/22/320101522.db2.gz BRCMUDAOPSGJHE-NEPJUHHUSA-N 1 0 343.305 2.335 20 5 EEBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000576029777 320134761 /nfs/dbraw/zinc/13/47/61/320134761.db2.gz ALHMPZQEOKJIRJ-SJLPKXTDSA-N 1 0 344.415 2.036 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182250817 323370122 /nfs/dbraw/zinc/37/01/22/323370122.db2.gz YXSBJBGXJPHSAV-DOMZBBRYSA-N 1 0 337.376 2.089 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000182355886 323373452 /nfs/dbraw/zinc/37/34/52/323373452.db2.gz ZXJFEUCVONEMRS-ARFHVFGLSA-N 1 0 333.388 2.247 20 5 EEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185907677 323440139 /nfs/dbraw/zinc/44/01/39/323440139.db2.gz UNEBTBJQCVOKHH-OAHLLOKOSA-N 1 0 333.775 2.434 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000358374174 465086795 /nfs/dbraw/zinc/08/67/95/465086795.db2.gz YNGCJFMNUJVCGN-ZDUSSCGKSA-N 1 0 343.387 2.243 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247647 465128220 /nfs/dbraw/zinc/12/82/20/465128220.db2.gz NRQHPHCRBNPLAP-LSDHHAIUSA-N 1 0 333.388 2.131 20 5 EEBDRO CCC[C@@H]([NH2+][C@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315059 465153418 /nfs/dbraw/zinc/15/34/18/465153418.db2.gz GOTMFTHMXBLGHX-UKRRQHHQSA-N 1 0 343.449 2.353 20 5 EEBDRO Cc1c(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000355161144 465228174 /nfs/dbraw/zinc/22/81/74/465228174.db2.gz JWGULDNPAHBCKX-LBPRGKRZSA-N 1 0 326.418 2.206 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337326126 465306358 /nfs/dbraw/zinc/30/63/58/465306358.db2.gz VWAZSGOJAXGXDI-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342928462 465394154 /nfs/dbraw/zinc/39/41/54/465394154.db2.gz BSTGGBBSICGRQD-OAHLLOKOSA-N 1 0 330.388 2.488 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000060793421 462565598 /nfs/dbraw/zinc/56/55/98/462565598.db2.gz WQRWMECHBWDBFM-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074297250 462581277 /nfs/dbraw/zinc/58/12/77/462581277.db2.gz BRWQSFMTONWXJY-INIZCTEOSA-N 1 0 331.416 2.328 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000114063313 462624421 /nfs/dbraw/zinc/62/44/21/462624421.db2.gz NHLSEIVVVUQRSE-MNOVXSKESA-N 1 0 348.359 2.447 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000063710868 462664781 /nfs/dbraw/zinc/66/47/81/462664781.db2.gz NBSWKRTYCZTGSV-CQSZACIVSA-N 1 0 334.420 2.243 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089603039 462697504 /nfs/dbraw/zinc/69/75/04/462697504.db2.gz YKYHOOLJQZEUEP-MRXNPFEDSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1cnc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643967 462703438 /nfs/dbraw/zinc/70/34/38/462703438.db2.gz MRLXZWXGTSTNHQ-JKSUJKDBSA-N 1 0 342.399 2.346 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000089644899 462703459 /nfs/dbraw/zinc/70/34/59/462703459.db2.gz FBHKGVVKJBOIKA-HZPDHXFCSA-N 1 0 328.372 2.037 20 5 EEBDRO COc1cc(F)c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090538244 462796629 /nfs/dbraw/zinc/79/66/29/462796629.db2.gz UDAPPQWBLCNSQG-SNVBAGLBSA-N 1 0 338.339 2.298 20 5 EEBDRO CC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C)cs1 ZINC000090559108 462797335 /nfs/dbraw/zinc/79/73/35/462797335.db2.gz KZDNCXSNEMMJJD-HNNXBMFYSA-N 1 0 336.417 2.436 20 5 EEBDRO CCN(c1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132381968 462853601 /nfs/dbraw/zinc/85/36/01/462853601.db2.gz NTZUUCVSKOEFJE-UHFFFAOYSA-N 1 0 325.321 2.344 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+](C)C1CC1 ZINC000066923785 462947260 /nfs/dbraw/zinc/94/72/60/462947260.db2.gz NZHXJXSQNFDWAD-SNVBAGLBSA-N 1 0 341.795 2.226 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120713401 463030396 /nfs/dbraw/zinc/03/03/96/463030396.db2.gz QOOBWNXEYXAVEB-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121013621 463066564 /nfs/dbraw/zinc/06/65/64/463066564.db2.gz UQDIYSVGAHLAQB-GFCCVEGCSA-N 1 0 328.372 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053348805 463153485 /nfs/dbraw/zinc/15/34/85/463153485.db2.gz QQHITPGUXXQNSA-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000079387342 463209627 /nfs/dbraw/zinc/20/96/27/463209627.db2.gz OQCWQGXRCUZPBG-GOSISDBHSA-N 1 0 349.431 2.160 20 5 EEBDRO Nc1nc(NC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000079799103 463249716 /nfs/dbraw/zinc/24/97/16/463249716.db2.gz CSQULKBDEWCNTM-UHFFFAOYSA-N 1 0 328.376 2.044 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000123085935 463316341 /nfs/dbraw/zinc/31/63/41/463316341.db2.gz QCOJITZATPHOAG-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000071027369 463403558 /nfs/dbraw/zinc/40/35/58/463403558.db2.gz IXIKDPNODKEAGL-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EEBDRO COc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071040387 463404804 /nfs/dbraw/zinc/40/48/04/463404804.db2.gz KIIKWQCJCROUQF-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1C ZINC000161236905 463412765 /nfs/dbraw/zinc/41/27/65/463412765.db2.gz IQEGHHGQSVONQZ-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000161838636 463460932 /nfs/dbraw/zinc/46/09/32/463460932.db2.gz ZQIYHFNONWUEEZ-ZIAGYGMSSA-N 1 0 332.404 2.195 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCCC[C@@H]1C ZINC000351891655 465422278 /nfs/dbraw/zinc/42/22/78/465422278.db2.gz YHXUCSXJSCSBHT-RYUDHWBXSA-N 1 0 349.387 2.316 20 5 EEBDRO Cc1sc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125309810 463529357 /nfs/dbraw/zinc/52/93/57/463529357.db2.gz WKFLXHAQISXLLM-SNVBAGLBSA-N 1 0 349.478 2.219 20 5 EEBDRO Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C[NH+](C)C)c1 ZINC000072840695 463553304 /nfs/dbraw/zinc/55/33/04/463553304.db2.gz MLSQBGZHNDGSAP-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@@H]1C ZINC000058231438 463557671 /nfs/dbraw/zinc/55/76/71/463557671.db2.gz CBAUJZLYYJOQPV-QWRGUYRKSA-N 1 0 338.383 2.309 20 5 EEBDRO COC(=O)c1cc(NC(=O)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000073817198 463659342 /nfs/dbraw/zinc/65/93/42/463659342.db2.gz IGVNHZPWWDTKJC-UHFFFAOYSA-N 1 0 349.387 2.440 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000152529622 463700575 /nfs/dbraw/zinc/70/05/75/463700575.db2.gz WVRVJQSOWQJYIX-NFAWXSAZSA-N 1 0 346.431 2.250 20 5 EEBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380099 463700672 /nfs/dbraw/zinc/70/06/72/463700672.db2.gz QUTFMAJMVYOSRK-BDJLRTHQSA-N 1 0 326.393 2.499 20 5 EEBDRO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184924869 463719896 /nfs/dbraw/zinc/71/98/96/463719896.db2.gz QJWLFMXNGFVJGQ-NWDGAFQWSA-N 1 0 335.379 2.438 20 5 EEBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000843 463826931 /nfs/dbraw/zinc/82/69/31/463826931.db2.gz RTRMTGDENLCCED-WFASDCNBSA-N 1 0 341.433 2.041 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194437406 463863082 /nfs/dbraw/zinc/86/30/82/463863082.db2.gz ZHXWFLZHUFANON-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269099539 463874078 /nfs/dbraw/zinc/87/40/78/463874078.db2.gz QNUPXJZSYJPIDW-CVEARBPZSA-N 1 0 342.399 2.285 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000269113620 463879275 /nfs/dbraw/zinc/87/92/75/463879275.db2.gz GNCVFIXRWHBQAL-HNNXBMFYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000277188248 463903459 /nfs/dbraw/zinc/90/34/59/463903459.db2.gz OKDWOCRDTMJTEF-ZDUSSCGKSA-N 1 0 348.403 2.472 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269271468 463936289 /nfs/dbraw/zinc/93/62/89/463936289.db2.gz LYUVTLWNZNTICG-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO C[N@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000269275860 463937633 /nfs/dbraw/zinc/93/76/33/463937633.db2.gz OXAKFUWCNVDCRT-UHFFFAOYSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCCC1 ZINC000283607175 463941501 /nfs/dbraw/zinc/94/15/01/463941501.db2.gz NFQQBTLINCUKCG-UHFFFAOYSA-N 1 0 338.383 2.310 20 5 EEBDRO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000262117511 463950607 /nfs/dbraw/zinc/95/06/07/463950607.db2.gz XBUGLHAZLQIRFU-KOLCDFICSA-N 1 0 345.346 2.026 20 5 EEBDRO CC(C)[N@H+](CCOCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000283781655 464007946 /nfs/dbraw/zinc/00/79/46/464007946.db2.gz RGHZSAHGAIILLU-UHFFFAOYSA-N 1 0 349.387 2.469 20 5 EEBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000342994177 465440327 /nfs/dbraw/zinc/44/03/27/465440327.db2.gz OWNJRBMLVZZRJU-UHFFFAOYSA-N 1 0 349.366 2.011 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279255087 464079784 /nfs/dbraw/zinc/07/97/84/464079784.db2.gz AJWZUGSNOVGQJK-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591020017 468395033 /nfs/dbraw/zinc/39/50/33/468395033.db2.gz YEFLILAZGBBUAW-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279758394 464144528 /nfs/dbraw/zinc/14/45/28/464144528.db2.gz QYQPRXYSOMDAIL-LBPRGKRZSA-N 1 0 327.812 2.401 20 5 EEBDRO CCC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224311 464268353 /nfs/dbraw/zinc/26/83/53/464268353.db2.gz VTWNFXUIWKCSSR-CQSZACIVSA-N 1 0 331.376 2.179 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000180395121 464301999 /nfs/dbraw/zinc/30/19/99/464301999.db2.gz PLAUOWXHQMJBKE-RRQGHBQHSA-N 1 0 347.415 2.415 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000264431951 464324136 /nfs/dbraw/zinc/32/41/36/464324136.db2.gz ARRXDMFFJJFESL-CQSZACIVSA-N 1 0 349.431 2.343 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180544694 464334355 /nfs/dbraw/zinc/33/43/55/464334355.db2.gz YHBQKGXSBORSDR-RYUDHWBXSA-N 1 0 349.435 2.058 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000240333710 464446465 /nfs/dbraw/zinc/44/64/65/464446465.db2.gz FEWPZFYUOHIHOG-WMZOPIPTSA-N 1 0 342.399 2.304 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348181867 465476500 /nfs/dbraw/zinc/47/65/00/465476500.db2.gz KHDUPMDOPPANGG-HIFRSBDPSA-N 1 0 335.404 2.373 20 5 EEBDRO CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000272183869 464509317 /nfs/dbraw/zinc/50/93/17/464509317.db2.gz JNWGWBAZMPQBAB-ZDUSSCGKSA-N 1 0 327.331 2.239 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000272293105 464552013 /nfs/dbraw/zinc/55/20/13/464552013.db2.gz HIQPHGZDDWFUOR-UHFFFAOYSA-N 1 0 344.327 2.032 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000272350729 464575203 /nfs/dbraw/zinc/57/52/03/464575203.db2.gz YCTQQQHBESUVSZ-JSGCOSHPSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H](CCNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182247781 464610129 /nfs/dbraw/zinc/61/01/29/464610129.db2.gz BOMZMYVQQDMLAN-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO CC(C)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285613633 464627996 /nfs/dbraw/zinc/62/79/96/464627996.db2.gz DDJRDNFDZZNUSS-IAGOWNOFSA-N 1 0 347.415 2.263 20 5 EEBDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000281900759 464628308 /nfs/dbraw/zinc/62/83/08/464628308.db2.gz BNSWZTFAAIFBAK-RHSMWYFYSA-N 1 0 346.431 2.022 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294867913 464631222 /nfs/dbraw/zinc/63/12/22/464631222.db2.gz GRNXLMBECHTGKQ-NSHDSACASA-N 1 0 339.367 2.156 20 5 EEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000282254725 464753138 /nfs/dbraw/zinc/75/31/38/464753138.db2.gz CIXUKWTXVUNQSF-QLJPJBMISA-N 1 0 340.351 2.374 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000295250560 464760272 /nfs/dbraw/zinc/76/02/72/464760272.db2.gz QHHBMNXHNCJYAL-CYBMUJFWSA-N 1 0 335.404 2.377 20 5 EEBDRO CCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000286166775 464825547 /nfs/dbraw/zinc/82/55/47/464825547.db2.gz OJZJDJNTUMFYDB-HOTGVXAUSA-N 1 0 349.431 2.474 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191940531 464834194 /nfs/dbraw/zinc/83/41/94/464834194.db2.gz LZCVRDOJUYXIJT-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282553662 464863568 /nfs/dbraw/zinc/86/35/68/464863568.db2.gz STGXCIGQPJGFMT-JTQLQIEISA-N 1 0 349.284 2.234 20 5 EEBDRO COc1cc(C)c(C[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000337359308 465326457 /nfs/dbraw/zinc/32/64/57/465326457.db2.gz CFICSSHSFICBNS-CYBMUJFWSA-N 1 0 348.403 2.338 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593910758 468430767 /nfs/dbraw/zinc/43/07/67/468430767.db2.gz BZJNLFYTTRBBLR-YQQAZPJKSA-N 1 0 347.415 2.262 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000348180128 465474572 /nfs/dbraw/zinc/47/45/72/465474572.db2.gz KVNMMJSRBZRANM-LBPRGKRZSA-N 1 0 335.433 2.472 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298768403 465499466 /nfs/dbraw/zinc/49/94/66/465499466.db2.gz WLLAAQLDYYHEAD-HOCLYGCPSA-N 1 0 332.404 2.363 20 5 EEBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298996126 465558807 /nfs/dbraw/zinc/55/88/07/465558807.db2.gz SMTVCIDEOGPYRQ-CQSZACIVSA-N 1 0 328.372 2.317 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299014558 465564245 /nfs/dbraw/zinc/56/42/45/465564245.db2.gz LBKIMSWQRQPQBQ-CABCVRRESA-N 1 0 335.429 2.430 20 5 EEBDRO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000362259331 465613171 /nfs/dbraw/zinc/61/31/71/465613171.db2.gz DIAJBFIFYDLWLQ-CQSZACIVSA-N 1 0 347.415 2.498 20 5 EEBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000299190925 465643113 /nfs/dbraw/zinc/64/31/13/465643113.db2.gz HDNBFYIDXUUPBJ-VBQJREDUSA-N 1 0 347.415 2.309 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000591304407 468444369 /nfs/dbraw/zinc/44/43/69/468444369.db2.gz XTGIJUVVBWYNLA-JQWIXIFHSA-N 1 0 340.355 2.157 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCOc1ccccc1[N+](=O)[O-] ZINC000371293836 465693929 /nfs/dbraw/zinc/69/39/29/465693929.db2.gz HXUMZGBXXLLMQG-RVKKMQEKSA-N 1 0 349.431 2.157 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000362388297 465698220 /nfs/dbraw/zinc/69/82/20/465698220.db2.gz DBBHMXMJXAZUHU-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000330560106 465707239 /nfs/dbraw/zinc/70/72/39/465707239.db2.gz IOUCMZWVPSJDFA-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330588526 465718306 /nfs/dbraw/zinc/71/83/06/465718306.db2.gz UJIAVYUGCGFBEY-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000366441169 465729437 /nfs/dbraw/zinc/72/94/37/465729437.db2.gz XWQJFMDQKMSFCT-HLLBOEOZSA-N 1 0 347.415 2.227 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000344655001 465752718 /nfs/dbraw/zinc/75/27/18/465752718.db2.gz DBPYPTYWHQENEG-OAHLLOKOSA-N 1 0 335.404 2.210 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccn(CC[NH+](C)C)n1 ZINC000345043320 465818000 /nfs/dbraw/zinc/81/80/00/465818000.db2.gz HDMDFOJXMJPTOL-SDNWHVSQSA-N 1 0 329.404 2.868 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301279691 465935518 /nfs/dbraw/zinc/93/55/18/465935518.db2.gz NMCZZLLTLAPYGP-NSHDSACASA-N 1 0 327.816 2.081 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCCC[C@H]3CO)n2)c1 ZINC000594015172 468461697 /nfs/dbraw/zinc/46/16/97/468461697.db2.gz VBMSQICIOHOKMZ-AWEZNQCLSA-N 1 0 332.360 2.382 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000361404820 465964980 /nfs/dbraw/zinc/96/49/80/465964980.db2.gz OBIRABJIYAFERI-IRXDYDNUSA-N 1 0 330.388 2.379 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000346181172 465967728 /nfs/dbraw/zinc/96/77/28/465967728.db2.gz HWKFJEBLHJHXMT-IIYDPXPESA-N 1 0 347.415 2.406 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357384487 465993674 /nfs/dbraw/zinc/99/36/74/465993674.db2.gz FGJVGVGVRBKZGJ-UKRRQHHQSA-N 1 0 334.420 2.386 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000361438058 465997095 /nfs/dbraw/zinc/99/70/95/465997095.db2.gz UAIYVZHGRWVPSV-KRWDZBQOSA-N 1 0 336.388 2.244 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000331275373 466006389 /nfs/dbraw/zinc/00/63/89/466006389.db2.gz DTWTXBXMKUDSNF-LBPRGKRZSA-N 1 0 343.449 2.158 20 5 EEBDRO COc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346258670 466036020 /nfs/dbraw/zinc/03/60/20/466036020.db2.gz IQOHHUKRDYWKMP-GZBFAFLISA-N 1 0 347.415 2.406 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@@H]21 ZINC000301902481 466056809 /nfs/dbraw/zinc/05/68/09/466056809.db2.gz ODILAEYPWBLVJR-HOCLYGCPSA-N 1 0 335.404 2.291 20 5 EEBDRO C[NH+]1CCC(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301901455 466056987 /nfs/dbraw/zinc/05/69/87/466056987.db2.gz VPGMRPGKSHOLAG-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362854088 466074190 /nfs/dbraw/zinc/07/41/90/466074190.db2.gz WEDCFWFQYJIUDW-MRXNPFEDSA-N 1 0 343.431 2.282 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](CO)O3)o2)c1 ZINC000353707324 466084501 /nfs/dbraw/zinc/08/45/01/466084501.db2.gz QGFVKFSMATWIIM-GOEBONIOSA-N 1 0 332.356 2.484 20 5 EEBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000361769343 466271496 /nfs/dbraw/zinc/27/14/96/466271496.db2.gz TXOWSLCCZQONBH-HIFRSBDPSA-N 1 0 349.387 2.440 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331867437 466283475 /nfs/dbraw/zinc/28/34/75/466283475.db2.gz OFQLDNGLSNZGQV-KMFMINBZSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305748364 466445379 /nfs/dbraw/zinc/44/53/79/466445379.db2.gz QJMXCDICYHNIBE-LKFCYVNXSA-N 1 0 341.795 2.278 20 5 EEBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000358152503 466498405 /nfs/dbraw/zinc/49/84/05/466498405.db2.gz CIBVSLDCLRSLKS-KRWDZBQOSA-N 1 0 331.372 2.011 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000362073490 466532088 /nfs/dbraw/zinc/53/20/88/466532088.db2.gz XBGFILVXYLJPNG-YCDSQXFLSA-N 1 0 341.433 2.011 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354420028 466555335 /nfs/dbraw/zinc/55/53/35/466555335.db2.gz DHCULPOVDQQXIY-KGLIPLIRSA-N 1 0 335.404 2.305 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000318591359 466589243 /nfs/dbraw/zinc/58/92/43/466589243.db2.gz DZXVRRYMYPOKLY-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368267712 466592852 /nfs/dbraw/zinc/59/28/52/466592852.db2.gz SGROSSBPQQHIHE-NYTXWWLZSA-N 1 0 336.436 2.480 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000363891685 466647369 /nfs/dbraw/zinc/64/73/69/466647369.db2.gz UOMUNTBUHUVXIJ-INIZCTEOSA-N 1 0 327.388 2.452 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373405223 466793241 /nfs/dbraw/zinc/79/32/41/466793241.db2.gz NOKARFFRVFSSDY-CHWSQXEVSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000423647791 466794747 /nfs/dbraw/zinc/79/47/47/466794747.db2.gz CAQDKWJCIIVDLK-UONOGXRCSA-N 1 0 333.388 2.030 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423726385 466814312 /nfs/dbraw/zinc/81/43/12/466814312.db2.gz UBTYUVFPPGHTLA-ZIAGYGMSSA-N 1 0 347.415 2.374 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423832586 466866474 /nfs/dbraw/zinc/86/64/74/466866474.db2.gz ACCMPCLJHDBOMS-OCCSQVGLSA-N 1 0 325.796 2.499 20 5 EEBDRO C[C@H]1CN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@@H]1[NH3+] ZINC000423980964 466935623 /nfs/dbraw/zinc/93/56/23/466935623.db2.gz QKDKXFOSQNDGNJ-BONVTDFDSA-N 1 0 339.370 2.240 20 5 EEBDRO C[C@H]1CC2(CN1C(=O)CCNc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424221213 467007057 /nfs/dbraw/zinc/00/70/57/467007057.db2.gz GLXMKNDERBVUAT-AWEZNQCLSA-N 1 0 346.431 2.387 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412119191 467018705 /nfs/dbraw/zinc/01/87/05/467018705.db2.gz GATBSYPICICPNQ-GVDBMIGSSA-N 1 0 331.416 2.497 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000425502089 467100844 /nfs/dbraw/zinc/10/08/44/467100844.db2.gz GNKXIWVTRBJTLT-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000427928625 467186634 /nfs/dbraw/zinc/18/66/34/467186634.db2.gz DKGFZSMMEBTVMZ-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413259576 467199268 /nfs/dbraw/zinc/19/92/68/467199268.db2.gz QGZVKCNBLHODPS-CYBMUJFWSA-N 1 0 330.388 2.036 20 5 EEBDRO COc1ccc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000428861898 467277487 /nfs/dbraw/zinc/27/74/87/467277487.db2.gz LNZLTVCZVYXTPU-SJCJKPOMSA-N 1 0 343.383 2.351 20 5 EEBDRO COc1ccc(NC(=O)CN2CCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000378432283 467300121 /nfs/dbraw/zinc/30/01/21/467300121.db2.gz HFOWRQUXUGIVHQ-ZDUSSCGKSA-N 1 0 345.359 2.102 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000420194873 467319014 /nfs/dbraw/zinc/31/90/14/467319014.db2.gz VJQHIYCFFQHVDC-UHFFFAOYSA-N 1 0 328.328 2.166 20 5 EEBDRO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000413938717 467345622 /nfs/dbraw/zinc/34/56/22/467345622.db2.gz MGZLATYOZCERDG-UHFFFAOYSA-N 1 0 349.366 2.366 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370973 467382419 /nfs/dbraw/zinc/38/24/19/467382419.db2.gz WKXRXJPQHYHZSP-LBPRGKRZSA-N 1 0 328.800 2.150 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000434236922 467384120 /nfs/dbraw/zinc/38/41/20/467384120.db2.gz WUIQWRQQBDXZMU-GFCCVEGCSA-N 1 0 337.424 2.245 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000429972067 467388031 /nfs/dbraw/zinc/38/80/31/467388031.db2.gz LAHMZAIIYNJPGA-CHWSQXEVSA-N 1 0 335.404 2.245 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420411721 467399452 /nfs/dbraw/zinc/39/94/52/467399452.db2.gz BYGWRKABUKJMDM-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)NCc1ccccc1 ZINC000430205007 467408092 /nfs/dbraw/zinc/40/80/92/467408092.db2.gz UANXPFDFVMNOGS-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414495524 467414862 /nfs/dbraw/zinc/41/48/62/467414862.db2.gz XENZSHZHNHHQOD-GJZGRUSLSA-N 1 0 332.356 2.436 20 5 EEBDRO Cc1c(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000414703607 467430086 /nfs/dbraw/zinc/43/00/86/467430086.db2.gz MHJZRSIFOYCYCM-CJNGLKHVSA-N 1 0 348.403 2.263 20 5 EEBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430579966 467445168 /nfs/dbraw/zinc/44/51/68/467445168.db2.gz CZUSXBDMEULLMH-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430645475 467454559 /nfs/dbraw/zinc/45/45/59/467454559.db2.gz UXEFWYBPHNSFNY-LBPRGKRZSA-N 1 0 331.376 2.076 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944904 467455260 /nfs/dbraw/zinc/45/52/60/467455260.db2.gz HPBQRWRCFVPGMN-VIFPVBQESA-N 1 0 332.307 2.301 20 5 EEBDRO C[C@H]1[NH2+]CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000436060171 467510926 /nfs/dbraw/zinc/51/09/26/467510926.db2.gz DAEOHMBYNBBIGR-OLZOCXBDSA-N 1 0 330.388 2.475 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000449340313 467632272 /nfs/dbraw/zinc/63/22/72/467632272.db2.gz NWJZKDSLJYPGPP-XNRPHZJLSA-N 1 0 340.445 2.471 20 5 EEBDRO CN(CC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000457203233 467776689 /nfs/dbraw/zinc/77/66/89/467776689.db2.gz NPRXHYDULXLWJK-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450222994 467802178 /nfs/dbraw/zinc/80/21/78/467802178.db2.gz IGBASRBRDHHBPQ-MRXNPFEDSA-N 1 0 344.415 2.912 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450338722 467830691 /nfs/dbraw/zinc/83/06/91/467830691.db2.gz YWQFUUAWCVOANA-UHFFFAOYSA-N 1 0 343.431 2.217 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+]2CCCO)ccc2ncccc21 ZINC000450596210 467876162 /nfs/dbraw/zinc/87/61/62/467876162.db2.gz NGMNRIFUTREPHZ-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265640 468040802 /nfs/dbraw/zinc/04/08/02/468040802.db2.gz QSQYTHSKWQUKRD-LKFCYVNXSA-N 1 0 327.768 2.344 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487519586 468043124 /nfs/dbraw/zinc/04/31/24/468043124.db2.gz RULKJQSNUPYOMX-RNCFNFMXSA-N 1 0 345.321 2.428 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)c1[N+](=O)[O-] ZINC000517214727 468075372 /nfs/dbraw/zinc/07/53/72/468075372.db2.gz KARFDIUENGMVSW-UHFFFAOYSA-N 1 0 347.375 2.203 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517648884 468092284 /nfs/dbraw/zinc/09/22/84/468092284.db2.gz MFSFWVRIWXMTOP-ZFWWWQNUSA-N 1 0 342.399 2.499 20 5 EEBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759161 468516383 /nfs/dbraw/zinc/51/63/83/468516383.db2.gz HGQGWYGEMVDFQQ-QLFBSQMISA-N 1 0 338.404 2.129 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000600315588 468530569 /nfs/dbraw/zinc/53/05/69/468530569.db2.gz VKXOCKZALAWHGH-ZDUSSCGKSA-N 1 0 335.404 2.374 20 5 EEBDRO NC(=O)C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591848885 468530708 /nfs/dbraw/zinc/53/07/08/468530708.db2.gz ICBKVZYLCCPQIB-SECBINFHSA-N 1 0 342.193 2.055 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000556690637 468547098 /nfs/dbraw/zinc/54/70/98/468547098.db2.gz XFHHVZOHJWTZFK-NSHDSACASA-N 1 0 337.767 2.004 20 5 EEBDRO Nc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418560 468579777 /nfs/dbraw/zinc/57/97/77/468579777.db2.gz KDNJFASVYGAOGC-QWHCGFSZSA-N 1 0 336.367 2.063 20 5 EEBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000594522752 468615265 /nfs/dbraw/zinc/61/52/65/468615265.db2.gz SEBOLRSMMXNZNT-LSDHHAIUSA-N 1 0 341.415 2.192 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c2c(c1)COCO2 ZINC000570298473 468620091 /nfs/dbraw/zinc/62/00/91/468620091.db2.gz MYURDDYXNICBMG-OZVIIMIRSA-N 1 0 334.372 2.054 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253733 468665463 /nfs/dbraw/zinc/66/54/63/468665463.db2.gz MTZKVCBUWVKNMM-HZPDHXFCSA-N 1 0 331.416 2.376 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000592428581 468696091 /nfs/dbraw/zinc/69/60/91/468696091.db2.gz BHGILYKOFYCTBG-SJCJKPOMSA-N 1 0 331.372 2.403 20 5 EEBDRO CC1(C)CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000601150937 468762310 /nfs/dbraw/zinc/76/23/10/468762310.db2.gz JCFSJZPVICPJBI-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571670390 468821642 /nfs/dbraw/zinc/82/16/42/468821642.db2.gz BIPKCQVGLSIXFG-XHDPSFHLSA-N 1 0 349.387 2.333 20 5 EEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688591 468824169 /nfs/dbraw/zinc/82/41/69/468824169.db2.gz XESSEBNXMFPXPG-FZMZJTMJSA-N 1 0 339.392 2.191 20 5 EEBDRO Cc1noc(CNC(C)(C)C(=O)NCC2CCCCC2)c1[N+](=O)[O-] ZINC000595405632 468840825 /nfs/dbraw/zinc/84/08/25/468840825.db2.gz AGOWDNBTJLVCJY-UHFFFAOYSA-N 1 0 338.408 2.456 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595473020 468866683 /nfs/dbraw/zinc/86/66/83/468866683.db2.gz SLSGEGJHNIUTOZ-MRXNPFEDSA-N 1 0 337.395 2.421 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000595480426 468871213 /nfs/dbraw/zinc/87/12/13/468871213.db2.gz JSCIQZVELGYFLU-GJZGRUSLSA-N 1 0 335.452 2.406 20 5 EEBDRO C[N@H+](CCc1nnn(C(C)(C)C)n1)CCc1ccccc1[N+](=O)[O-] ZINC000595482988 468871981 /nfs/dbraw/zinc/87/19/81/468871981.db2.gz DKYSNTSYWBTPJF-UHFFFAOYSA-N 1 0 332.408 2.053 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[NH+]1CCCCC1 ZINC000593112156 468875037 /nfs/dbraw/zinc/87/50/37/468875037.db2.gz LVAQOVSUTWGVJO-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000598573830 468919536 /nfs/dbraw/zinc/91/95/36/468919536.db2.gz PPILJSBQGQXFOF-HNNXBMFYSA-N 1 0 330.388 2.006 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3COC[C@H]3OC)o2)c([N+](=O)[O-])c1 ZINC000584779725 468935597 /nfs/dbraw/zinc/93/55/97/468935597.db2.gz LLQYHDHIPCGIDZ-RHSMWYFYSA-N 1 0 348.355 2.367 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000598622166 468936558 /nfs/dbraw/zinc/93/65/58/468936558.db2.gz MAIGCVBKFZDSQD-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595670810 468947264 /nfs/dbraw/zinc/94/72/64/468947264.db2.gz DMKGQBCKTQBLJT-CZUORRHYSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679057 468951501 /nfs/dbraw/zinc/95/15/01/468951501.db2.gz UQZUIOUYHQJMBZ-UKRRQHHQSA-N 1 0 338.404 2.465 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595870095 469053471 /nfs/dbraw/zinc/05/34/71/469053471.db2.gz GAYUMLKJLIDAFW-GUYCJALGSA-N 1 0 335.404 2.182 20 5 EEBDRO C[N@H+](CCOC(C)(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610859874 469093775 /nfs/dbraw/zinc/09/37/75/469093775.db2.gz RYMUGQBKTMWNPT-CQSZACIVSA-N 1 0 326.393 2.081 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1Cc2ccccc2C1 ZINC000562996306 469128923 /nfs/dbraw/zinc/12/89/23/469128923.db2.gz OWTBKBZQONMGKX-QGZVFWFLSA-N 1 0 342.395 2.339 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000611155852 469176214 /nfs/dbraw/zinc/17/62/14/469176214.db2.gz GYBBHYPMDBLTDC-LBPRGKRZSA-N 1 0 330.388 2.171 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000602959556 469190895 /nfs/dbraw/zinc/19/08/95/469190895.db2.gz XDEHNSCJICTBDC-CYBMUJFWSA-N 1 0 335.408 2.058 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000602249334 469257259 /nfs/dbraw/zinc/25/72/59/469257259.db2.gz IOFPNMJVVBRGIL-UHFFFAOYSA-N 1 0 348.334 2.322 20 5 EEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588778 469301741 /nfs/dbraw/zinc/30/17/41/469301741.db2.gz KLLKTYUHPSPGMZ-OCCSQVGLSA-N 1 0 338.408 2.091 20 5 EEBDRO Nc1c(F)cccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602473245 469331509 /nfs/dbraw/zinc/33/15/09/469331509.db2.gz LADRWSIISFHIEH-LBPRGKRZSA-N 1 0 331.351 2.398 20 5 EEBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599704239 469343998 /nfs/dbraw/zinc/34/39/98/469343998.db2.gz RXXBTUJTANZRTI-INIZCTEOSA-N 1 0 335.404 2.354 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(N3CCCC3)CCOCC2)cc1 ZINC000602542379 469354570 /nfs/dbraw/zinc/35/45/70/469354570.db2.gz WJHLNJJRMGAMBR-UHFFFAOYSA-N 1 0 333.432 2.372 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H](O)C3)CC2)cn1 ZINC000602557896 469360357 /nfs/dbraw/zinc/36/03/57/469360357.db2.gz JRWUIOOKDYBDLA-CZUORRHYSA-N 1 0 334.420 2.099 20 5 EEBDRO COc1cc([N+](=O)[O-])cn(CC[N@H+](C)Cc2ccc(F)cc2)c1=O ZINC000603360399 469360603 /nfs/dbraw/zinc/36/06/03/469360603.db2.gz ZJVOIAPTYXNZLE-UHFFFAOYSA-N 1 0 335.335 2.036 20 5 EEBDRO CO[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602605893 469382936 /nfs/dbraw/zinc/38/29/36/469382936.db2.gz URSZJWOVVIONCJ-WFASDCNBSA-N 1 0 328.796 2.432 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3c[nH]nc3C2)n1 ZINC000618571439 469393177 /nfs/dbraw/zinc/39/31/77/469393177.db2.gz QISVHTCLFVXBSW-UMVBOHGHSA-N 1 0 330.392 2.145 20 5 EEBDRO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748774 469791223 /nfs/dbraw/zinc/79/12/23/469791223.db2.gz CTXLYROMEAXPPE-DYVFJYSZSA-N 1 0 347.415 2.068 20 5 EEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000609449051 469928551 /nfs/dbraw/zinc/92/85/51/469928551.db2.gz NEWJKAHVQBCMCV-UHFFFAOYSA-N 1 0 326.422 2.011 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000610306015 470002660 /nfs/dbraw/zinc/00/26/60/470002660.db2.gz RWDKPQYTKHHZAT-HNNXBMFYSA-N 1 0 349.431 2.336 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183362911 533749230 /nfs/dbraw/zinc/74/92/30/533749230.db2.gz SLFSKRVFIWIVQY-NWDGAFQWSA-N 1 0 348.403 2.078 20 5 EEBDRO Cc1ccc(CC(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000419341930 533760166 /nfs/dbraw/zinc/76/01/66/533760166.db2.gz ZXRHEPALYWNTDB-INIZCTEOSA-N 1 0 332.404 2.072 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459780569 536799437 /nfs/dbraw/zinc/79/94/37/536799437.db2.gz XYLRGTAIXKFSKT-NILFDRSVSA-N 1 0 333.388 2.469 20 5 EEBDRO COCC1(C)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000773266078 577328355 /nfs/dbraw/zinc/32/83/55/577328355.db2.gz DXMGWXWQLQHAFG-UHFFFAOYSA-N 1 0 333.392 2.354 20 5 EEBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000776519658 577461380 /nfs/dbraw/zinc/46/13/80/577461380.db2.gz BRDBXWPVRWRUME-OAHLLOKOSA-N 1 0 344.795 2.431 20 5 EEBDRO CCc1nncn1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766314851 577517193 /nfs/dbraw/zinc/51/71/93/577517193.db2.gz OTLHKIAOKNFZFH-UHFFFAOYSA-N 1 0 344.419 2.007 20 5 EEBDRO CC(C)(C)OCC(=[NH2+])NOCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000768933530 577566001 /nfs/dbraw/zinc/56/60/01/577566001.db2.gz ULXYAXVSAHTQDE-UHFFFAOYSA-N 1 0 339.348 2.275 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC1(O)CCC1 ZINC000759877324 577652871 /nfs/dbraw/zinc/65/28/71/577652871.db2.gz RHFBRLHHBBGGMS-SNVBAGLBSA-N 1 0 341.795 2.422 20 5 EEBDRO C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000760469130 577663441 /nfs/dbraw/zinc/66/34/41/577663441.db2.gz ZLDQXFURWBNEEU-LBPRGKRZSA-N 1 0 336.461 2.462 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756934406 577853443 /nfs/dbraw/zinc/85/34/43/577853443.db2.gz RLTYXNLMXZAGFJ-UHFFFAOYSA-N 1 0 328.800 2.388 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000757786353 577864093 /nfs/dbraw/zinc/86/40/93/577864093.db2.gz DGNZVMVBZGXMGD-YGRLFVJLSA-N 1 0 334.376 2.208 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749646787 577979389 /nfs/dbraw/zinc/97/93/89/577979389.db2.gz LQTCQMPZGQOHKY-OAHLLOKOSA-N 1 0 332.356 2.435 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000735472092 578154928 /nfs/dbraw/zinc/15/49/28/578154928.db2.gz HJLHYHLMQJDYFO-AWEZNQCLSA-N 1 0 327.812 2.493 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824626155 608563542 /nfs/dbraw/zinc/56/35/42/608563542.db2.gz MSNKSHZZSLDKRW-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001023092916 679122870 /nfs/dbraw/zinc/12/28/70/679122870.db2.gz LAXOWHZQLIOPBZ-GASCZTMLSA-N 1 0 342.399 2.467 20 5 EEBDRO COCCCOCCN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179796550 680051485 /nfs/dbraw/zinc/05/14/85/680051485.db2.gz DTQCXFYRNYLMAE-UHFFFAOYSA-N 1 0 336.392 2.195 20 5 EEBDRO O=C(N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)C12CCC[NH+]1CCC2 ZINC001059459649 685432614 /nfs/dbraw/zinc/43/26/14/685432614.db2.gz AKMRLKBMYFMHJC-HDJSIYSDSA-N 1 0 344.415 2.282 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000935842488 682103884 /nfs/dbraw/zinc/10/38/84/682103884.db2.gz SQFKRLSFVCOULM-UHFFFAOYSA-N 1 0 325.390 2.072 20 5 EEBDRO C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000892821752 683102691 /nfs/dbraw/zinc/10/26/91/683102691.db2.gz FHRJEKPPZOZPJK-CYBMUJFWSA-N 1 0 334.420 2.339 20 5 EEBDRO COc1c(O)ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000893086804 683708004 /nfs/dbraw/zinc/70/80/04/683708004.db2.gz QPRCJKSGTQGXGD-AGUYFDCRSA-N 1 0 335.404 2.414 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266869 684405428 /nfs/dbraw/zinc/40/54/28/684405428.db2.gz UYWAVRBBRKRRSA-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO O=C1NCCN1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000895813922 684734382 /nfs/dbraw/zinc/73/43/82/684734382.db2.gz KRRKUXVTZMCPAG-UHFFFAOYSA-N 1 0 333.175 2.016 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896617816 685127319 /nfs/dbraw/zinc/12/73/19/685127319.db2.gz KITFSABQGKMNHF-AWEZNQCLSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC000897234740 686299360 /nfs/dbraw/zinc/29/93/60/686299360.db2.gz IPGDIYIITWINKL-OAHLLOKOSA-N 1 0 349.431 2.178 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000897846442 691800572 /nfs/dbraw/zinc/80/05/72/691800572.db2.gz JVXWHCRGAPDVON-NHYWBVRUSA-N 1 0 342.399 2.495 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000893484664 692308044 /nfs/dbraw/zinc/30/80/44/692308044.db2.gz NXPNFQOTHZUHFA-CQSZACIVSA-N 1 0 347.444 2.358 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000873098828 1198500168 /nfs/dbraw/zinc/50/01/68/1198500168.db2.gz VJXYYVMJSAVOKE-UHFFFAOYSA-N 1 0 326.418 2.126 20 5 EEBDRO CSCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000873127342 1198507007 /nfs/dbraw/zinc/50/70/07/1198507007.db2.gz OYRCRCONUGACIU-ZDUSSCGKSA-N 1 0 325.434 2.203 20 5 EEBDRO CCc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000873193282 1198525910 /nfs/dbraw/zinc/52/59/10/1198525910.db2.gz KWVFFVFWBSAMAX-HZPDHXFCSA-N 1 0 336.413 2.403 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccn1 ZINC000875054050 1199123636 /nfs/dbraw/zinc/12/36/36/1199123636.db2.gz GMTDJTWGIIPXNK-UHFFFAOYSA-N 1 0 348.334 2.322 20 5 EEBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC001134084002 1199300836 /nfs/dbraw/zinc/30/08/36/1199300836.db2.gz NFYDBUMOTBBQAN-UHFFFAOYSA-N 1 0 342.399 2.001 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878340934 1200407845 /nfs/dbraw/zinc/40/78/45/1200407845.db2.gz VLDFDDRLNNVZGW-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870950835 1200974000 /nfs/dbraw/zinc/97/40/00/1200974000.db2.gz NWKJTSSWKTZPRM-GOSISDBHSA-N 1 0 348.447 2.102 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)[nH]1 ZINC001133501442 1200977049 /nfs/dbraw/zinc/97/70/49/1200977049.db2.gz ZVQCQFAEHYOFRR-UHFFFAOYSA-N 1 0 328.781 2.157 20 5 EEBDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866244553 1201474515 /nfs/dbraw/zinc/47/45/15/1201474515.db2.gz QCDJFYOMEVEBBC-DOMZBBRYSA-N 1 0 328.384 2.288 20 5 EEBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)c1ccccc1 ZINC000886186380 1202479827 /nfs/dbraw/zinc/47/98/27/1202479827.db2.gz XCAOCTKGUXPELD-OAHLLOKOSA-N 1 0 340.383 2.475 20 5 EEBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112654 1206193718 /nfs/dbraw/zinc/19/37/18/1206193718.db2.gz BAJDZSGCMNCNOO-ZWNOBZJWSA-N 1 0 325.796 2.438 20 5 EEBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000929949886 1206520849 /nfs/dbraw/zinc/52/08/49/1206520849.db2.gz CMCCMKVPVITKQF-RBZJEDDUSA-N 1 0 325.453 2.447 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](C4OCCO4)C3)co2)cc1 ZINC000932000286 1207506716 /nfs/dbraw/zinc/50/67/16/1207506716.db2.gz BWTHOFKIQRDMID-ZDUSSCGKSA-N 1 0 345.355 2.445 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778261297 1208017531 /nfs/dbraw/zinc/01/75/31/1208017531.db2.gz MGSBOUFPCPEHFL-LLVKDONJSA-N 1 0 327.331 2.145 20 5 EEBDRO CN(CCCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1[N+](=O)[O-] ZINC001095779414 1208512462 /nfs/dbraw/zinc/51/24/62/1208512462.db2.gz BZUKVJDVALQAIX-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+]1CCCC1 ZINC000076924407 1209600807 /nfs/dbraw/zinc/60/08/07/1209600807.db2.gz JLHJYMFZJOEXCH-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO Cc1nscc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020090367 1229479045 /nfs/dbraw/zinc/47/90/45/1229479045.db2.gz JBWQMSKTRHGYJB-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119994647 1229646629 /nfs/dbraw/zinc/64/66/29/1229646629.db2.gz MSAUDEWTQBZDRL-UONOGXRCSA-N 1 0 348.447 2.456 20 5 EEBDRO CN1CCC[C@@H]1c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000900770969 1234789646 /nfs/dbraw/zinc/78/96/46/1234789646.db2.gz MFSVTYBPNCPNFB-MRXNPFEDSA-N 1 0 341.371 2.288 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903263929 1240133896 /nfs/dbraw/zinc/13/38/96/1240133896.db2.gz LJTYGMYZJQXETG-CXMBCZLWSA-N 1 0 333.388 2.469 20 5 EEBDRO O=C(NCC1=CC[N@H+](CCCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675022 1240709114 /nfs/dbraw/zinc/70/91/14/1240709114.db2.gz QBVAWFWULLDBMJ-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO C[NH+](C)C1(C(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001057379017 1243514456 /nfs/dbraw/zinc/51/44/56/1243514456.db2.gz WTFOAZJAEBRXFQ-UHFFFAOYSA-N 1 0 346.431 2.482 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000700647416 1276955885 /nfs/dbraw/zinc/95/58/85/1276955885.db2.gz UKWNFVWPZQVVFN-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO Cc1c(C(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000101952872 1283565169 /nfs/dbraw/zinc/56/51/69/1283565169.db2.gz PJLNQWBRZPVGGR-UHFFFAOYSA-N 1 0 338.364 2.190 20 5 EEBDRO COCC(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001201619371 1289701683 /nfs/dbraw/zinc/70/16/83/1289701683.db2.gz MCMCQQBXVJCXFF-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO C[S@](=O)CCN1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853369407 1292366273 /nfs/dbraw/zinc/36/62/73/1292366273.db2.gz XNDQDQYDGFMYRJ-QHCPKHFHSA-N 1 0 347.387 2.033 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500178 1292402581 /nfs/dbraw/zinc/40/25/81/1292402581.db2.gz NYXNBQKFQRGIHX-CQSZACIVSA-N 1 0 344.419 2.227 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000856490028 1293546040 /nfs/dbraw/zinc/54/60/40/1293546040.db2.gz UEASUUBYWBBFNA-CYBMUJFWSA-N 1 0 327.331 2.143 20 5 EEBDRO COCCN1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856721746 1293606579 /nfs/dbraw/zinc/60/65/79/1293606579.db2.gz MZNPBIKWHFKWEE-UHFFFAOYSA-N 1 0 344.209 2.126 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859960381 1294727869 /nfs/dbraw/zinc/72/78/69/1294727869.db2.gz GRSBZRLKTSAVMS-LLVKDONJSA-N 1 0 343.811 2.335 20 5 EEBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2I)C[NH2+]1 ZINC001218045394 1297555884 /nfs/dbraw/zinc/55/58/84/1297555884.db2.gz KPPTWOZPLOMBBM-APPZFPTMSA-N 1 0 348.140 2.329 20 5 EEBDRO CCOC(=O)C(CCCCCO[C@H](C)C[N+](C)(C)C)C(=O)OCC ZINC001224904411 1300776393 /nfs/dbraw/zinc/77/63/93/1300776393.db2.gz NKFUOCSXQWKATH-OAHLLOKOSA-N 1 0 346.488 2.401 20 5 EEBDRO COCCCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226472193 1301428808 /nfs/dbraw/zinc/42/88/08/1301428808.db2.gz ZHDKHJRUBHRUCM-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO COCC[NH+]1CCC(Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001227221554 1301737384 /nfs/dbraw/zinc/73/73/84/1301737384.db2.gz QUHXIAFRESVIHF-UHFFFAOYSA-N 1 0 347.371 2.338 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001230146885 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Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000843092739 1315839719 /nfs/dbraw/zinc/83/97/19/1315839719.db2.gz DOMIBSDUJLTXCI-PKOBYXMFSA-N 1 0 344.411 2.438 20 5 EEBDRO Cc1cc(Cc2noc(C[C@H]3CSCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000843191780 1315863134 /nfs/dbraw/zinc/86/31/34/1315863134.db2.gz MRCQJAISFDURCG-LBPRGKRZSA-N 1 0 334.401 2.125 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000843347604 1315896107 /nfs/dbraw/zinc/89/61/07/1315896107.db2.gz XIFVAJFTPBVTIX-PRHODGIISA-N 1 0 329.759 2.126 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000843354150 1315897402 /nfs/dbraw/zinc/89/74/02/1315897402.db2.gz VHOUKOPJUVKQNE-IINYFYTJSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001154753740 1317297362 /nfs/dbraw/zinc/29/73/62/1317297362.db2.gz RNBJCANJNJTWIQ-AWEZNQCLSA-N 1 0 341.415 2.362 20 5 EEBDRO Cc1ncsc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 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AWCFPCPRNFFMOG-MPNRVQBSSA-N 1 0 333.436 2.477 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164462111 1321386960 /nfs/dbraw/zinc/38/69/60/1321386960.db2.gz LVWBUYRQJFKJJB-SFYZADRCSA-N 1 0 331.829 2.324 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)n1 ZINC001165432867 1321525558 /nfs/dbraw/zinc/52/55/58/1321525558.db2.gz UXNPSVNNUVVHND-ZJUUUORDSA-N 1 0 328.775 2.465 20 5 EEBDRO COCc1nn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2c1C[NH2+]C2 ZINC001165631656 1321556013 /nfs/dbraw/zinc/55/60/13/1321556013.db2.gz DJZXIIFBLBGMAY-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351932962 1321944246 /nfs/dbraw/zinc/94/42/46/1321944246.db2.gz ADASDAILOCSDEQ-WMZOPIPTSA-N 1 0 347.415 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001261903256 1322195926 /nfs/dbraw/zinc/19/59/26/1322195926.db2.gz ROBOXPBLHPLQNF-AWEZNQCLSA-N 1 0 329.404 2.314 20 5 EEBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352949423 1322265417 /nfs/dbraw/zinc/26/54/17/1322265417.db2.gz UXAHMSWFWIITIL-DLBZAZTESA-N 1 0 329.400 2.115 20 5 EEBDRO C[C@]12CN(c3ncc([N+](=O)[O-])cn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001307203012 1331516611 /nfs/dbraw/zinc/51/66/11/1331516611.db2.gz SATZCDOSWIIUHE-QAPCUYQASA-N 1 0 339.399 2.343 20 5 EEBDRO CCOCCOC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307416443 1331537143 /nfs/dbraw/zinc/53/71/43/1331537143.db2.gz XCSWAXFXAWLAKW-UHFFFAOYSA-N 1 0 338.404 2.491 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001308072167 1331561314 /nfs/dbraw/zinc/56/13/14/1331561314.db2.gz OUVYEWFKWYSWNJ-MMMKDXCPSA-N 1 0 344.371 2.409 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC001308409250 1331589930 /nfs/dbraw/zinc/58/99/30/1331589930.db2.gz XSEGFJCQZAEJQJ-CXAGYDPISA-N 1 0 346.387 2.347 20 5 EEBDRO O=C(NCC[NH+]1CC=CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001318948575 1332627652 /nfs/dbraw/zinc/62/76/52/1332627652.db2.gz UTSMFIBVTIHVIG-UHFFFAOYSA-N 1 0 342.302 2.190 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319560963 1332721361 /nfs/dbraw/zinc/72/13/61/1332721361.db2.gz XFUUWDXGGGUQIZ-INIZCTEOSA-N 1 0 348.472 2.312 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001322654009 1333301497 /nfs/dbraw/zinc/30/14/97/1333301497.db2.gz NYACACWUZKZTEP-YRGRVCCFSA-N 1 0 349.387 2.162 20 5 EEBDRO Cc1ccc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001332231467 1335774556 /nfs/dbraw/zinc/77/45/56/1335774556.db2.gz HJBNBKWRALYVGR-GOSISDBHSA-N 1 0 327.384 2.436 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC1CC([NH+]2CCCCC2)C1 ZINC001609602870 1352031670 /nfs/dbraw/zinc/03/16/70/1352031670.db2.gz MEVSKAVJXQMAOJ-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC[N+](=O)[O-])CC2 ZINC001334187167 1336218839 /nfs/dbraw/zinc/21/88/39/1336218839.db2.gz LKGIXFXRSKIXMV-UHFFFAOYSA-N 1 0 327.425 2.376 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335567159 1336395773 /nfs/dbraw/zinc/39/57/73/1336395773.db2.gz DZBJHGIIHMKKMR-ZDUSSCGKSA-N 1 0 334.420 2.471 20 5 EEBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001336994350 1336627485 /nfs/dbraw/zinc/62/74/85/1336627485.db2.gz ZSSYILSWCRBNEA-HNNXBMFYSA-N 1 0 332.404 2.195 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001337479735 1336707136 /nfs/dbraw/zinc/70/71/36/1336707136.db2.gz JXYURVJIRZIUIQ-NSHDSACASA-N 1 0 338.383 2.014 20 5 EEBDRO O=C(c1ccc2c(c1)OCC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340107587 1337123401 /nfs/dbraw/zinc/12/34/01/1337123401.db2.gz OUXGFQIKGFIGSH-UHFFFAOYSA-N 1 0 339.351 2.233 20 5 EEBDRO CN(CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001100346733 1338289560 /nfs/dbraw/zinc/28/95/60/1338289560.db2.gz CXFMYZANDXXBCI-UHFFFAOYSA-N 1 0 336.436 2.125 20 5 EEBDRO C[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001576008773 1343942079 /nfs/dbraw/zinc/94/20/79/1343942079.db2.gz SYVPKWIYNHBQIU-SJKOYZFVSA-N 1 0 328.372 2.084 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580812334 1344562394 /nfs/dbraw/zinc/56/23/94/1344562394.db2.gz UWZGNEWTYLCIBV-PHIMTYICSA-N 1 0 329.278 2.190 20 5 EEBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605722830 1351218057 /nfs/dbraw/zinc/21/80/57/1351218057.db2.gz BWTNMZRTUCQUKO-UHFFFAOYSA-N 1 0 343.391 2.122 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC001607079480 1351408431 /nfs/dbraw/zinc/40/84/31/1351408431.db2.gz LPMQSDVZISAAKH-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000815560468 1368035208 /nfs/dbraw/zinc/03/52/08/1368035208.db2.gz INOGPCOHVRFIPB-LBPRGKRZSA-N 1 0 346.387 2.448 20 5 EEBDRO C[NH+](C)CCCC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110606235 1369151954 /nfs/dbraw/zinc/15/19/54/1369151954.db2.gz CCDSTWRXCLFOPV-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC(C)(CCC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[N+](=O)[O-] ZINC000855529437 1369393966 /nfs/dbraw/zinc/39/39/66/1369393966.db2.gz PBLNAURPJONGPF-UHFFFAOYSA-N 1 0 348.447 2.245 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c[nH]1 ZINC000859880867 1369450062 /nfs/dbraw/zinc/45/00/62/1369450062.db2.gz XJPYUDRPJHNTTB-CJNGLKHVSA-N 1 0 333.319 2.454 20 5 EEBDRO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001103652605 1371047643 /nfs/dbraw/zinc/04/76/43/1371047643.db2.gz ORVBVOPLCXWZGE-CTYIDZIISA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1ccnc(N[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001103652763 1371048052 /nfs/dbraw/zinc/04/80/52/1371048052.db2.gz YMXQMRKIBGQLRW-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO C[C@@H](c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123508535 1372148681 /nfs/dbraw/zinc/14/86/81/1372148681.db2.gz JAAPKSATBANKTF-DZGCQCFKSA-N 1 0 348.451 2.090 20 5 EEBDRO CC(C)(C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000830562881 1372336125 /nfs/dbraw/zinc/33/61/25/1372336125.db2.gz ATPZBUGDOBAOTR-CJNGLKHVSA-N 1 0 349.431 2.242 20 5 EEBDRO CCOCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001161215523 1372914543 /nfs/dbraw/zinc/91/45/43/1372914543.db2.gz VNVQHABBZCHJGK-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001342721560 1372950747 /nfs/dbraw/zinc/95/07/47/1372950747.db2.gz DQSVIAALOWZKTE-VIFPVBQESA-N 1 0 329.759 2.127 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623495 1373161733 /nfs/dbraw/zinc/16/17/33/1373161733.db2.gz KFXOGLNRERLQOO-SJCJKPOMSA-N 1 0 344.371 2.434 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CN(C)Cc1ccccc1 ZINC000195307400 1406128616 /nfs/dbraw/zinc/12/86/16/1406128616.db2.gz CLQSUCCIVVDAML-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1F ZINC001100543283 759986373 /nfs/dbraw/zinc/98/63/73/759986373.db2.gz ZIELVPXTIMBLNB-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO Cc1cc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])cc1Br ZINC001167693605 761736467 /nfs/dbraw/zinc/73/64/67/761736467.db2.gz WNMLJGLRZHAGRK-UHFFFAOYSA-N 1 0 337.177 2.395 20 5 EEBDRO O=C(C(F)F)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981570926 777688543 /nfs/dbraw/zinc/68/85/43/777688543.db2.gz NHYKWWSSMWZHKK-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1=CCCCC1)C2 ZINC000982278672 779502321 /nfs/dbraw/zinc/50/23/21/779502321.db2.gz NWGWNSBHMGZFSZ-RWQQGDIJSA-N 1 0 347.459 2.322 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000846893350 790715137 /nfs/dbraw/zinc/71/51/37/790715137.db2.gz VXHWNCRJTNTXPT-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846944318 790763079 /nfs/dbraw/zinc/76/30/79/790763079.db2.gz VJIBPSOCDNGUOD-GOSISDBHSA-N 1 0 344.415 2.087 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809860042 783427761 /nfs/dbraw/zinc/42/77/61/783427761.db2.gz GXFMTKCXMKAOOF-SNVBAGLBSA-N 1 0 335.451 2.055 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818563438 785293310 /nfs/dbraw/zinc/29/33/10/785293310.db2.gz LJJCGIPRIMHTDP-KGLIPLIRSA-N 1 0 346.431 2.394 20 5 EEBDRO CCNC(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818959784 785344297 /nfs/dbraw/zinc/34/42/97/785344297.db2.gz SZSSVLSEWHBVJK-KRWDZBQOSA-N 1 0 343.383 2.168 20 5 EEBDRO COc1nc(C)cc(C)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819011697 785362476 /nfs/dbraw/zinc/36/24/76/785362476.db2.gz WMUHKEZAOASPET-INIZCTEOSA-N 1 0 331.372 2.438 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000908602613 785557537 /nfs/dbraw/zinc/55/75/37/785557537.db2.gz OYMJYPVZLDPXLU-CQSZACIVSA-N 1 0 349.431 2.050 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000996429651 786396659 /nfs/dbraw/zinc/39/66/59/786396659.db2.gz RHBHRZYKRDNZRJ-HZPDHXFCSA-N 1 0 343.383 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000585133521 786667973 /nfs/dbraw/zinc/66/79/73/786667973.db2.gz KPQJIIKMBIIABX-UHFFFAOYSA-N 1 0 326.400 2.350 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1ccco1 ZINC000821581670 786801637 /nfs/dbraw/zinc/80/16/37/786801637.db2.gz RVAKHICSJJLCGB-CYBMUJFWSA-N 1 0 343.347 2.083 20 5 EEBDRO Nc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000824003071 787997859 /nfs/dbraw/zinc/99/78/59/787997859.db2.gz OCFCCLFWHQYEKN-UHFFFAOYSA-N 1 0 333.392 2.173 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000824726188 788289406 /nfs/dbraw/zinc/28/94/06/788289406.db2.gz IKAYBGXYQRZGDW-LSDHHAIUSA-N 1 0 349.412 2.109 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912883548 788461804 /nfs/dbraw/zinc/46/18/04/788461804.db2.gz HHNWTBIWZYYFPX-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000923262832 789256909 /nfs/dbraw/zinc/25/69/09/789256909.db2.gz YAUHQVMKTWYRIU-PQEBFOHHSA-N 1 0 329.400 2.393 20 5 EEBDRO COc1cccc(F)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127934452 789564129 /nfs/dbraw/zinc/56/41/29/789564129.db2.gz MVKORMTUSAUCRL-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO COC/C(C)=C/C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000845574333 789849192 /nfs/dbraw/zinc/84/91/92/789849192.db2.gz AQVYGYGFVMLNRK-OIQJVACTSA-N 1 0 334.372 2.305 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000846175714 790078668 /nfs/dbraw/zinc/07/86/68/790078668.db2.gz AUYIPIRWSOTBTL-UHFFFAOYSA-N 1 0 336.436 2.197 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cnn(CC3CCC3)c2)cc1 ZINC000921705898 795550977 /nfs/dbraw/zinc/55/09/77/795550977.db2.gz ZMARBZBHXVMSLX-KRWDZBQOSA-N 1 0 330.388 2.415 20 5 EEBDRO C[N@H+](CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-])CC(C)(C)C ZINC001094141305 795992065 /nfs/dbraw/zinc/99/20/65/795992065.db2.gz OVPCHEFQFXWQFI-UHFFFAOYSA-N 1 0 340.399 2.240 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)C[NH+](CC)CC ZINC001106776203 796510769 /nfs/dbraw/zinc/51/07/69/796510769.db2.gz WVUYZIBAYZGFGX-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO Cc1ccnc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001094700284 796540518 /nfs/dbraw/zinc/54/05/18/796540518.db2.gz IKVWOJWNJVWUTM-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[NH+](C)Cc1ccoc1C(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094738750 796555431 /nfs/dbraw/zinc/55/54/31/796555431.db2.gz WEPSNXMGRBSHPH-UHFFFAOYSA-N 1 0 346.387 2.481 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4(COC4)C3)CC2)c(F)c1 ZINC001173013716 797196525 /nfs/dbraw/zinc/19/65/25/797196525.db2.gz DCPNZGXKQSBZCP-UHFFFAOYSA-N 1 0 339.342 2.174 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1F ZINC001173180144 797278466 /nfs/dbraw/zinc/27/84/66/797278466.db2.gz IRWVCXSJAAMSOI-JTNHKYCSSA-N 1 0 326.368 2.376 20 5 EEBDRO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173190376 797282240 /nfs/dbraw/zinc/28/22/40/797282240.db2.gz WQLLPSWWWYYHMC-YHAQOWFVSA-N 1 0 341.383 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2ccccn2)c1F ZINC001173193046 797282536 /nfs/dbraw/zinc/28/25/36/797282536.db2.gz SSBPHHZDGFDRNU-XHDPSFHLSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2cccnc2)c1F ZINC001173194106 797282667 /nfs/dbraw/zinc/28/26/67/797282667.db2.gz XZLCPTYCPMXXBY-IAQYHMDHSA-N 1 0 349.362 2.392 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCN1C(=O)C=CC1=O ZINC001173216014 797296426 /nfs/dbraw/zinc/29/64/26/797296426.db2.gz GZSBWAQOQRZRPC-CQSZACIVSA-N 1 0 345.399 2.211 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001173236687 797321840 /nfs/dbraw/zinc/32/18/40/797321840.db2.gz FBHXURRDULLSIM-CJNGLKHVSA-N 1 0 328.372 2.469 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000785753422 806576337 /nfs/dbraw/zinc/57/63/37/806576337.db2.gz HFRIXHARZHQBLS-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1scnc1Cl ZINC001151213418 801183942 /nfs/dbraw/zinc/18/39/42/801183942.db2.gz LBSODSBFDPMWFM-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086031299 801972195 /nfs/dbraw/zinc/97/21/95/801972195.db2.gz UOLDHUNTGFLETC-GASCZTMLSA-N 1 0 342.399 2.232 20 5 EEBDRO Cc1nocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086185254 802433876 /nfs/dbraw/zinc/43/38/76/802433876.db2.gz QRJWPQNDAQTLNI-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)on1 ZINC001086306633 802704810 /nfs/dbraw/zinc/70/48/10/802704810.db2.gz OLQXSOGBOBBPKM-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168985877 803548791 /nfs/dbraw/zinc/54/87/91/803548791.db2.gz VJDKGTNPERZLCN-CABCVRRESA-N 1 0 325.453 2.306 20 5 EEBDRO O=C1Nc2ccccc2C12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169011304 803570895 /nfs/dbraw/zinc/57/08/95/803570895.db2.gz JPQWFWLRYVKSNL-KGLIPLIRSA-N 1 0 329.400 2.418 20 5 EEBDRO O=C1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168989874 803573660 /nfs/dbraw/zinc/57/36/60/803573660.db2.gz XMTLWRLNCZPOIG-KZNAEPCWSA-N 1 0 345.443 2.460 20 5 EEBDRO COc1ccccc1CN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030277 803577292 /nfs/dbraw/zinc/57/72/92/803577292.db2.gz XUEHQYLRRSALCJ-RDJZCZTQSA-N 1 0 333.432 2.258 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCN(Cc2cccnc2)C3)C1 ZINC001169019494 803587900 /nfs/dbraw/zinc/58/79/00/803587900.db2.gz ISMQAFUTAPCBNA-RDJZCZTQSA-N 1 0 330.432 2.035 20 5 EEBDRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022265 803588334 /nfs/dbraw/zinc/58/83/34/803588334.db2.gz RKALXKPOUXIZLG-ZIAGYGMSSA-N 1 0 334.420 2.110 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)C1 ZINC001169024912 803590675 /nfs/dbraw/zinc/59/06/75/803590675.db2.gz HSVWNGIMHJEFHW-GJZGRUSLSA-N 1 0 336.436 2.096 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169025446 803591274 /nfs/dbraw/zinc/59/12/74/803591274.db2.gz IYZQJVWQOSGQRH-XJKSGUPXSA-N 1 0 335.379 2.029 20 5 EEBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)cc2cccnc21 ZINC001169242676 803667187 /nfs/dbraw/zinc/66/71/87/803667187.db2.gz SNGXOICCVLDBOC-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO Cc1cccnc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156356011 803932361 /nfs/dbraw/zinc/93/23/61/803932361.db2.gz SKRPWLADIAIBFS-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170329079 809894106 /nfs/dbraw/zinc/89/41/06/809894106.db2.gz OCNQVTNZYQLUBP-ZDUSSCGKSA-N 1 0 335.404 2.089 20 5 EEBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330103 809895000 /nfs/dbraw/zinc/89/50/00/809895000.db2.gz YTAZASARYLFJAN-JSGCOSHPSA-N 1 0 336.388 2.419 20 5 EEBDRO Cc1cc(C)nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001130669634 811921781 /nfs/dbraw/zinc/92/17/81/811921781.db2.gz FLVKUTUQWYJZCH-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000808191108 812504935 /nfs/dbraw/zinc/50/49/35/812504935.db2.gz KSAPMGSDNGCORJ-OLZOCXBDSA-N 1 0 346.387 2.019 20 5 EEBDRO Cc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572782 813015323 /nfs/dbraw/zinc/01/53/23/813015323.db2.gz SBWKAQJCJPSCPN-WFASDCNBSA-N 1 0 343.387 2.149 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491530424 282093066 /nfs/dbraw/zinc/09/30/66/282093066.db2.gz BBGYTTRJCFFTBM-JJEJIETFSA-N 1 0 347.415 2.177 20 5 EEBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187598023 529551793 /nfs/dbraw/zinc/55/17/93/529551793.db2.gz KIEHWNNQLDDTKO-QGZVFWFLSA-N 1 0 335.404 2.408 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418791851 529935127 /nfs/dbraw/zinc/93/51/27/529935127.db2.gz NEMKTGGFQOANRU-OWCLPIDISA-N 1 0 346.431 2.167 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000189565883 237029895 /nfs/dbraw/zinc/02/98/95/237029895.db2.gz JNLBCPVNNKUWAS-ZFWWWQNUSA-N 1 0 347.415 2.468 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000057165656 201138469 /nfs/dbraw/zinc/13/84/69/201138469.db2.gz VTSLDUMFKQLAIO-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079327260 201206405 /nfs/dbraw/zinc/20/64/05/201206405.db2.gz VJOSGALALWUVSU-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000285498410 201333541 /nfs/dbraw/zinc/33/35/41/201333541.db2.gz MYEOBWGXLJMLLE-UHFFFAOYSA-N 1 0 325.166 2.344 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367521 240456583 /nfs/dbraw/zinc/45/65/83/240456583.db2.gz MQTYVIIRJAGIQK-IJEWVQPXSA-N 1 0 329.404 2.277 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423969166 240764281 /nfs/dbraw/zinc/76/42/81/240764281.db2.gz VRXQNBVPXFTLDE-HNNXBMFYSA-N 1 0 344.371 2.096 20 5 EEBDRO CS(=O)(=O)CCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424306845 240901573 /nfs/dbraw/zinc/90/15/73/240901573.db2.gz JLZONQBKISPPDN-OAHLLOKOSA-N 1 0 340.445 2.330 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000447587564 242291606 /nfs/dbraw/zinc/29/16/06/242291606.db2.gz QREWEHYLPVGPDR-KGLIPLIRSA-N 1 0 330.392 2.206 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488953 243130749 /nfs/dbraw/zinc/13/07/49/243130749.db2.gz JLIRWSGFVMAELA-USXIJHARSA-N 1 0 345.399 2.105 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499638 243135539 /nfs/dbraw/zinc/13/55/39/243135539.db2.gz MKBOMFLSJWVVNZ-HFBAOOFYSA-N 1 0 335.404 2.491 20 5 EEBDRO CC1(C)C[C@@H](O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451816475 243279065 /nfs/dbraw/zinc/27/90/65/243279065.db2.gz XGFLHDGIXWFXCL-JKSUJKDBSA-N 1 0 347.415 2.183 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000075329319 203313047 /nfs/dbraw/zinc/31/30/47/203313047.db2.gz VHYZKEJWKOKPKH-CYBMUJFWSA-N 1 0 334.420 2.289 20 5 EEBDRO Cc1ccccc1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075717842 203322820 /nfs/dbraw/zinc/32/28/20/203322820.db2.gz XPBCDOJLJKRGTO-KRWDZBQOSA-N 1 0 344.415 2.340 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262961798 245270793 /nfs/dbraw/zinc/27/07/93/245270793.db2.gz WQEXTATVTUSNKK-ZYHUDNBSSA-N 1 0 341.795 2.274 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104771768 204119306 /nfs/dbraw/zinc/11/93/06/204119306.db2.gz GSOHRXQPOBFPJO-UHFFFAOYSA-N 1 0 344.799 2.290 20 5 EEBDRO Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104840002 204123325 /nfs/dbraw/zinc/12/33/25/204123325.db2.gz JQAGRSXWTJXJBC-UHFFFAOYSA-N 1 0 332.404 2.186 20 5 EEBDRO CC(C)[NH2+]C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000108368563 204259286 /nfs/dbraw/zinc/25/92/86/204259286.db2.gz FWQOLEOHPDJUMJ-UHFFFAOYSA-N 1 0 335.404 2.424 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237416881 204573680 /nfs/dbraw/zinc/57/36/80/204573680.db2.gz QZJDTJSOHUTJED-JQWIXIFHSA-N 1 0 325.796 2.377 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000120591773 204745843 /nfs/dbraw/zinc/74/58/43/204745843.db2.gz ULSXLHPQICPBIL-UHFFFAOYSA-N 1 0 346.431 2.315 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120665554 204750689 /nfs/dbraw/zinc/75/06/89/204750689.db2.gz HUGNJZHEXDRYPY-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126774492 205072119 /nfs/dbraw/zinc/07/21/19/205072119.db2.gz VAJUVWBRPDTCFG-CQSZACIVSA-N 1 0 343.387 2.055 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000127785502 205116714 /nfs/dbraw/zinc/11/67/14/205116714.db2.gz XDGRBJKVWGTDRH-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491828062 246170858 /nfs/dbraw/zinc/17/08/58/246170858.db2.gz MOEWRDHNOICXFU-FPLPWBNLSA-N 1 0 347.415 2.177 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000159201468 206230547 /nfs/dbraw/zinc/23/05/47/206230547.db2.gz BHTILZCDJYJLQZ-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000159194257 206230759 /nfs/dbraw/zinc/23/07/59/206230759.db2.gz DVSHAURXCJWUFU-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000229582874 206277622 /nfs/dbraw/zinc/27/76/22/206277622.db2.gz RILDTGRCCQCXHU-UFBFGSQYSA-N 1 0 342.193 2.228 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCOCC2)o1 ZINC000265249314 247337304 /nfs/dbraw/zinc/33/73/04/247337304.db2.gz NWOOVZOKDSHKCD-UHFFFAOYSA-N 1 0 332.356 2.486 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000162083731 206384213 /nfs/dbraw/zinc/38/42/13/206384213.db2.gz RAXWEMOUJINJLO-OAHLLOKOSA-N 1 0 348.447 2.125 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000266357203 248262858 /nfs/dbraw/zinc/26/28/58/248262858.db2.gz KEAMAWNNZUGOSI-NSHDSACASA-N 1 0 344.362 2.244 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000170886019 206632390 /nfs/dbraw/zinc/63/23/90/206632390.db2.gz WVLPGHIPQHRCSL-UHFFFAOYSA-N 1 0 349.435 2.038 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccncc21 ZINC000095392612 218323849 /nfs/dbraw/zinc/32/38/49/218323849.db2.gz JTSOXKWZKAHADI-OLZOCXBDSA-N 1 0 328.372 2.418 20 5 EEBDRO CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000174848395 207065502 /nfs/dbraw/zinc/06/55/02/207065502.db2.gz RSWRWXAIIQCLHG-UHFFFAOYSA-N 1 0 343.431 2.388 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(N)=O)CCCCC1 ZINC000177121922 207296009 /nfs/dbraw/zinc/29/60/09/207296009.db2.gz LSRQVUKLHBGFPF-UHFFFAOYSA-N 1 0 348.403 2.010 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000360886777 285161940 /nfs/dbraw/zinc/16/19/40/285161940.db2.gz GDDLAFSMQIBZLD-KSZLIROESA-N 1 0 345.443 2.369 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000269202772 255544185 /nfs/dbraw/zinc/54/41/85/255544185.db2.gz KUOWZFVOYOKKIW-WFASDCNBSA-N 1 0 332.404 2.004 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1SC ZINC000269232458 255549628 /nfs/dbraw/zinc/54/96/28/255549628.db2.gz VVUKGNBEOOYPFE-GXSJLCMTSA-N 1 0 339.417 2.135 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267179699 256034863 /nfs/dbraw/zinc/03/48/63/256034863.db2.gz BLZZOAUUZJYWSY-SECBINFHSA-N 1 0 329.198 2.283 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268160285 256120758 /nfs/dbraw/zinc/12/07/58/256120758.db2.gz QJGPZIXOYQFLTH-UHFFFAOYSA-N 1 0 340.811 2.484 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270554751 256148174 /nfs/dbraw/zinc/14/81/74/256148174.db2.gz RYVWCZDZMBPBBJ-BBRMVZONSA-N 1 0 332.404 2.015 20 5 EEBDRO CC1(C)CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000273353813 256289094 /nfs/dbraw/zinc/28/90/94/256289094.db2.gz NJKREZNNKMKJBY-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC1(C)[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000357752016 153324998 /nfs/dbraw/zinc/32/49/98/153324998.db2.gz VTJSBSCHYUZNCC-BETUJISGSA-N 1 0 331.372 2.481 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000261850133 160421685 /nfs/dbraw/zinc/42/16/85/160421685.db2.gz ZSDROEUMZXUMOE-CQSZACIVSA-N 1 0 341.433 2.318 20 5 EEBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000194893067 160202513 /nfs/dbraw/zinc/20/25/13/160202513.db2.gz DSUXWSODUWDZQN-UHFFFAOYSA-N 1 0 345.399 2.059 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155477 160264887 /nfs/dbraw/zinc/26/48/87/160264887.db2.gz HRZQRCFRBCAGCO-HOTGVXAUSA-N 1 0 335.452 2.378 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247006770 160305255 /nfs/dbraw/zinc/30/52/55/160305255.db2.gz PWTOOYZTJQYGDL-YOEHRIQHSA-N 1 0 346.431 2.258 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340146161 160902087 /nfs/dbraw/zinc/90/20/87/160902087.db2.gz CEMRTDZXLHDQED-LBPRGKRZSA-N 1 0 332.404 2.465 20 5 EEBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000342572611 161075297 /nfs/dbraw/zinc/07/52/97/161075297.db2.gz FXHAHOALGLOFDH-NSHDSACASA-N 1 0 331.376 2.144 20 5 EEBDRO CNc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342738416 161087041 /nfs/dbraw/zinc/08/70/41/161087041.db2.gz JGLPCWMFXSGDKQ-STQMWFEESA-N 1 0 332.404 2.335 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000342872898 161097223 /nfs/dbraw/zinc/09/72/23/161097223.db2.gz ITUYPOBVGVAIGC-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CO)CCOCC3)cs2)c1 ZINC000344352640 161219520 /nfs/dbraw/zinc/21/95/20/161219520.db2.gz YIZWTGLXEVJKBN-UHFFFAOYSA-N 1 0 349.412 2.349 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000344739577 161241831 /nfs/dbraw/zinc/24/18/31/161241831.db2.gz ZNUUTLLCLNICPJ-HNNXBMFYSA-N 1 0 335.404 2.210 20 5 EEBDRO Cn1c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000352442800 162136638 /nfs/dbraw/zinc/13/66/38/162136638.db2.gz XNFIXOAIJQIEPH-UHFFFAOYSA-N 1 0 327.340 2.372 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000352509745 162164394 /nfs/dbraw/zinc/16/43/94/162164394.db2.gz GZYIHKJRPFULIS-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352519385 162168777 /nfs/dbraw/zinc/16/87/77/162168777.db2.gz OHDYXQUIZXUBMH-AAEUAGOBSA-N 1 0 325.434 2.422 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H](COC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000353019330 162393498 /nfs/dbraw/zinc/39/34/98/162393498.db2.gz GGWQKHXEQNOASV-LLVKDONJSA-N 1 0 343.330 2.485 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4[C@H](CO)[C@H]4C3)cs2)c1 ZINC000367779205 166002700 /nfs/dbraw/zinc/00/27/00/166002700.db2.gz MROBQOANRGMVQA-FICVDOATSA-N 1 0 331.397 2.388 20 5 EEBDRO O=[N+]([O-])c1cccnc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355712614 163278496 /nfs/dbraw/zinc/27/84/96/163278496.db2.gz CTMJLZHPBWJMLJ-KRWDZBQOSA-N 1 0 328.372 2.039 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367927495 166021954 /nfs/dbraw/zinc/02/19/54/166021954.db2.gz OYYOBGZSDXFBRM-HNNXBMFYSA-N 1 0 333.388 2.463 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000373811699 166962135 /nfs/dbraw/zinc/96/21/35/166962135.db2.gz FVKHJVCMHNSSEJ-PBHICJAKSA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@H]1[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375245228 167095491 /nfs/dbraw/zinc/09/54/91/167095491.db2.gz LMSIEBRLWDSAMX-GFCCVEGCSA-N 1 0 333.388 2.085 20 5 EEBDRO CC[NH2+]Cc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000124106035 222376707 /nfs/dbraw/zinc/37/67/07/222376707.db2.gz UUYVIOCXETZIIN-UHFFFAOYSA-N 1 0 331.376 2.275 20 5 EEBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000248643306 292634211 /nfs/dbraw/zinc/63/42/11/292634211.db2.gz ZXJFEUCVONEMRS-HRCADAONSA-N 1 0 333.388 2.247 20 5 EEBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000272584041 268994983 /nfs/dbraw/zinc/99/49/83/268994983.db2.gz GZWVXULBQIEBFX-WFASDCNBSA-N 1 0 335.404 2.138 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278243207 269218530 /nfs/dbraw/zinc/21/85/30/269218530.db2.gz VCPQDKUPFYXDBZ-LLVKDONJSA-N 1 0 348.407 2.001 20 5 EEBDRO Cc1c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000278642522 269238623 /nfs/dbraw/zinc/23/86/23/269238623.db2.gz SITKWIBEPHHPCZ-ZDUSSCGKSA-N 1 0 335.404 2.134 20 5 EEBDRO CCOc1cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000279679079 269299838 /nfs/dbraw/zinc/29/98/38/269299838.db2.gz GILLVSXAHXJULU-AWEZNQCLSA-N 1 0 337.420 2.146 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824226 269392887 /nfs/dbraw/zinc/39/28/87/269392887.db2.gz KHCNTJCVNUIDJY-AAEUAGOBSA-N 1 0 341.358 2.277 20 5 EEBDRO COc1cc(CNCCC[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272358709 274168827 /nfs/dbraw/zinc/16/88/27/274168827.db2.gz FANXOOPMEZULQD-UHFFFAOYSA-N 1 0 347.362 2.289 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000275844945 274268612 /nfs/dbraw/zinc/26/86/12/274268612.db2.gz XZCDPMGMZIHPQM-AWEZNQCLSA-N 1 0 343.387 2.102 20 5 EEBDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420279333 274718943 /nfs/dbraw/zinc/71/89/43/274718943.db2.gz SONMODYCKYXHPX-JTQLQIEISA-N 1 0 332.326 2.238 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285487062 274740058 /nfs/dbraw/zinc/74/00/58/274740058.db2.gz IKQNKUYQIAYBNY-JKIFEVAISA-N 1 0 346.431 2.480 20 5 EEBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808820 274854419 /nfs/dbraw/zinc/85/44/19/274854419.db2.gz CITNYVGJKOYIFP-CJNGLKHVSA-N 1 0 327.388 2.477 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108063 275037930 /nfs/dbraw/zinc/03/79/30/275037930.db2.gz VMODNAPMPOQPCL-RDJZCZTQSA-N 1 0 348.399 2.484 20 5 EEBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000288718531 275082195 /nfs/dbraw/zinc/08/21/95/275082195.db2.gz FRXUIYGZZXEQPK-KRWDZBQOSA-N 1 0 335.404 2.408 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)C3CCCC3)n2)cc1 ZINC000289460343 275117738 /nfs/dbraw/zinc/11/77/38/275117738.db2.gz GWIIBQJHXONPBQ-CQSZACIVSA-N 1 0 332.360 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000290212090 275189711 /nfs/dbraw/zinc/18/97/11/275189711.db2.gz WAVSLCCMUARRAJ-JTQLQIEISA-N 1 0 332.809 2.163 20 5 EEBDRO CC(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000290487513 275211781 /nfs/dbraw/zinc/21/17/81/275211781.db2.gz IUBVKXBOSBMPDS-AWEZNQCLSA-N 1 0 349.435 2.257 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628346 276152958 /nfs/dbraw/zinc/15/29/58/276152958.db2.gz BIIRJJOGKSDEON-OAHLLOKOSA-N 1 0 333.388 2.190 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000057288169 276864152 /nfs/dbraw/zinc/86/41/52/276864152.db2.gz LWMXKTDLVNUPGS-HNNXBMFYSA-N 1 0 327.384 2.498 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237071692 277283214 /nfs/dbraw/zinc/28/32/14/277283214.db2.gz FQXDTWMQAIJCJU-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424001974 278362921 /nfs/dbraw/zinc/36/29/21/278362921.db2.gz CMXPVLNXOOPXKM-DZGCQCFKSA-N 1 0 346.431 2.252 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354919206 279277423 /nfs/dbraw/zinc/27/74/23/279277423.db2.gz MGNLQOGPKYEZKI-SNVBAGLBSA-N 1 0 328.800 2.040 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186695690 279737520 /nfs/dbraw/zinc/73/75/20/279737520.db2.gz ICXNLRVWFNHBMV-QPUJVOFHSA-N 1 0 342.193 2.085 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343477472 280118829 /nfs/dbraw/zinc/11/88/29/280118829.db2.gz CRHLFZIMMVWNQW-DZGCQCFKSA-N 1 0 346.431 2.408 20 5 EEBDRO Cc1c(Br)c(N2CC[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000261867065 280198429 /nfs/dbraw/zinc/19/84/29/280198429.db2.gz YNZDAQJKSWDEBS-ZDUSSCGKSA-N 1 0 341.209 2.251 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000178202486 281012233 /nfs/dbraw/zinc/01/22/33/281012233.db2.gz CVBDAFWKCQHBMI-HZPDHXFCSA-N 1 0 347.463 2.293 20 5 EEBDRO Cc1cc(OCC(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000281362375 292750566 /nfs/dbraw/zinc/75/05/66/292750566.db2.gz FRLCSQNPGQHYLI-UHFFFAOYSA-N 1 0 344.371 2.377 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292924191 293079235 /nfs/dbraw/zinc/07/92/35/293079235.db2.gz ZPXHLZPVIIUIMW-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293475730 293218625 /nfs/dbraw/zinc/21/86/25/293218625.db2.gz QWLLCWDWPRVWPZ-BXKDBHETSA-N 1 0 343.305 2.438 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000293893501 293320798 /nfs/dbraw/zinc/32/07/98/293320798.db2.gz JOWDZHGWYZSBNJ-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000296947155 294109616 /nfs/dbraw/zinc/10/96/16/294109616.db2.gz BXHGPHDSBPIQOS-HNNXBMFYSA-N 1 0 349.431 2.478 20 5 EEBDRO NC(=O)[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225163 294185170 /nfs/dbraw/zinc/18/51/70/294185170.db2.gz HMEXGFSUAGFKKB-ZBFHGGJFSA-N 1 0 326.356 2.183 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448687 294246906 /nfs/dbraw/zinc/24/69/06/294246906.db2.gz JFPQONIUENUFNQ-YPMHNXCESA-N 1 0 333.388 2.347 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261759437 294458014 /nfs/dbraw/zinc/45/80/14/294458014.db2.gz NWXRXRNBTBXTLP-ZDUSSCGKSA-N 1 0 335.795 2.128 20 5 EEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299060492 294649142 /nfs/dbraw/zinc/64/91/42/294649142.db2.gz IWCVYPXPEFEKNR-UHFFFAOYSA-N 1 0 334.351 2.266 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+](C)C)cc1OC ZINC000299520411 294764137 /nfs/dbraw/zinc/76/41/37/294764137.db2.gz YKEUPVZDIFNHRN-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261793902 301193024 /nfs/dbraw/zinc/19/30/24/301193024.db2.gz LFNWBIKIAPMZMQ-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000164918023 311390150 /nfs/dbraw/zinc/39/01/50/311390150.db2.gz JDBRAFLSNRMSBT-RHSMWYFYSA-N 1 0 349.431 2.437 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344127977 312268385 /nfs/dbraw/zinc/26/83/85/312268385.db2.gz KQOCKHAEDZROOT-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnnn1CC1CC1)C1CC1 ZINC000349403092 312302594 /nfs/dbraw/zinc/30/25/94/312302594.db2.gz FSGIWNVUJGJSQJ-HNNXBMFYSA-N 1 0 342.403 2.102 20 5 EEBDRO CCOc1cc(NC(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414759984 313078786 /nfs/dbraw/zinc/07/87/86/313078786.db2.gz PNXFJSINFPURDW-SNVBAGLBSA-N 1 0 340.380 2.251 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415489160 313130197 /nfs/dbraw/zinc/13/01/97/313130197.db2.gz WOGHQWOJDISWLG-YPMHNXCESA-N 1 0 336.392 2.446 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415498019 313132954 /nfs/dbraw/zinc/13/29/54/313132954.db2.gz IFZNNMQWGWBGCO-STQMWFEESA-N 1 0 348.403 2.457 20 5 EEBDRO [NH3+]C1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417999359 313683696 /nfs/dbraw/zinc/68/36/96/313683696.db2.gz WGBNVQBVWOHSCX-UHFFFAOYSA-N 1 0 340.811 2.360 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000418607962 313858770 /nfs/dbraw/zinc/85/87/70/313858770.db2.gz AWFZNOROVKICEM-TZMCWYRMSA-N 1 0 332.404 2.409 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421008956 314022616 /nfs/dbraw/zinc/02/26/16/314022616.db2.gz DWRYXKBKULDWSB-CQSZACIVSA-N 1 0 338.404 2.467 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@@H](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000421019954 314028639 /nfs/dbraw/zinc/02/86/39/314028639.db2.gz QMEVUOJLSCPAGX-CQSZACIVSA-N 1 0 335.404 2.408 20 5 EEBDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028352 314031572 /nfs/dbraw/zinc/03/15/72/314031572.db2.gz UGWVCLHJCRJQJQ-QWHCGFSZSA-N 1 0 338.408 2.091 20 5 EEBDRO CON1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000421398325 314096205 /nfs/dbraw/zinc/09/62/05/314096205.db2.gz OFRWSYHILCDGBP-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421760686 314157359 /nfs/dbraw/zinc/15/73/59/314157359.db2.gz GVDNFCSLWKBWDC-UHFFFAOYSA-N 1 0 349.431 2.442 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423588259 314303377 /nfs/dbraw/zinc/30/33/77/314303377.db2.gz AYZBRTNKAGPCLC-AOOOYVTPSA-N 1 0 341.820 2.018 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000430214068 314505601 /nfs/dbraw/zinc/50/56/01/314505601.db2.gz WQBJLGAAXCSRJT-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000430216497 314505644 /nfs/dbraw/zinc/50/56/44/314505644.db2.gz FFTBFNKLNRQMCI-HIFRSBDPSA-N 1 0 325.434 2.081 20 5 EEBDRO C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C[NH3+] ZINC000430577194 314549913 /nfs/dbraw/zinc/54/99/13/314549913.db2.gz YQSCRZOWHDXHKA-RISCZKNCSA-N 1 0 331.376 2.204 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000430701436 314571500 /nfs/dbraw/zinc/57/15/00/314571500.db2.gz VTZFRXDNMRAYTQ-OAHLLOKOSA-N 1 0 335.404 2.258 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000489264312 315771619 /nfs/dbraw/zinc/77/16/19/315771619.db2.gz LSKNGIXLUVMZJT-GOEBONIOSA-N 1 0 349.435 2.179 20 5 EEBDRO C[C@H]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995053 316944769 /nfs/dbraw/zinc/94/47/69/316944769.db2.gz CVTBWKJTZYPGOJ-STQMWFEESA-N 1 0 326.418 2.394 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525215929 317046936 /nfs/dbraw/zinc/04/69/36/317046936.db2.gz YQGBLDCJSIJWPF-HNNXBMFYSA-N 1 0 349.431 2.336 20 5 EEBDRO C[NH+](C)Cc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000525490397 317060895 /nfs/dbraw/zinc/06/08/95/317060895.db2.gz USVWHIGFZRARIX-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 ZINC000536568362 318001466 /nfs/dbraw/zinc/00/14/66/318001466.db2.gz LCRGTXXMIJHODI-LBPRGKRZSA-N 1 0 328.372 2.357 20 5 EEBDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000541348542 318097538 /nfs/dbraw/zinc/09/75/38/318097538.db2.gz BYMSDKYCMXSHDT-UPJWGTAASA-N 1 0 326.418 2.160 20 5 EEBDRO COc1ccccc1[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000543839765 318175583 /nfs/dbraw/zinc/17/55/83/318175583.db2.gz WFTCOUDXQQWWOZ-AWEZNQCLSA-N 1 0 332.356 2.305 20 5 EEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000546180252 318246173 /nfs/dbraw/zinc/24/61/73/318246173.db2.gz UBDZCVYDXJHDME-MRXNPFEDSA-N 1 0 347.802 2.477 20 5 EEBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548085725 318353255 /nfs/dbraw/zinc/35/32/55/318353255.db2.gz PKSKNXQPXCMPMJ-UHFFFAOYSA-N 1 0 344.375 2.076 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000559072246 318738721 /nfs/dbraw/zinc/73/87/21/318738721.db2.gz ZMKFGGGMGYXBNF-UHFFFAOYSA-N 1 0 334.397 2.201 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000560954338 318818078 /nfs/dbraw/zinc/81/80/78/318818078.db2.gz STYQZVCTGHHARB-SECBINFHSA-N 1 0 344.318 2.399 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000565001500 319137149 /nfs/dbraw/zinc/13/71/49/319137149.db2.gz BGNHYKNAVJZXEV-IUCAKERBSA-N 1 0 349.309 2.392 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116062 319247493 /nfs/dbraw/zinc/24/74/93/319247493.db2.gz HLHBATUOHUNDAR-ZBFHGGJFSA-N 1 0 346.383 2.392 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566256125 319265505 /nfs/dbraw/zinc/26/55/05/319265505.db2.gz BAGOPIOCQWHCBS-IVZWLZJFSA-N 1 0 329.784 2.258 20 5 EEBDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567582989 319393252 /nfs/dbraw/zinc/39/32/52/319393252.db2.gz KBIKEYIRIKPMHB-QBIMZIAESA-N 1 0 344.415 2.456 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2csc3ccccc23)c1 ZINC000578210936 320301050 /nfs/dbraw/zinc/30/10/50/320301050.db2.gz XBBQXQWXUZOEIG-CYBMUJFWSA-N 1 0 332.385 2.157 20 5 EEBDRO C[C@@H](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183113295 323398813 /nfs/dbraw/zinc/39/88/13/323398813.db2.gz FAVNMAOZNRPTNG-HNNXBMFYSA-N 1 0 348.447 2.412 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184549858 323425895 /nfs/dbraw/zinc/42/58/95/323425895.db2.gz VVOSFQJQSKNTIY-CQSZACIVSA-N 1 0 333.344 2.494 20 5 EEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000327637414 465053604 /nfs/dbraw/zinc/05/36/04/465053604.db2.gz ARAVWJJXBDMCNZ-YOEHRIQHSA-N 1 0 346.431 2.151 20 5 EEBDRO Cn1cc(C[NH2+]CCC2(O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341333613 465116840 /nfs/dbraw/zinc/11/68/40/465116840.db2.gz CNTLCUULUDCUHR-UHFFFAOYSA-N 1 0 330.388 2.390 20 5 EEBDRO COCCOC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000296308913 465152354 /nfs/dbraw/zinc/15/23/54/465152354.db2.gz GFRHLRURAZKNNM-AWEZNQCLSA-N 1 0 338.404 2.458 20 5 EEBDRO COc1ccc(OCC[N@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351638846 465266872 /nfs/dbraw/zinc/26/68/72/465266872.db2.gz YOBFDGRKOJAGEN-KBPBESRZSA-N 1 0 338.404 2.465 20 5 EEBDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1C ZINC000347910285 465302991 /nfs/dbraw/zinc/30/29/91/465302991.db2.gz SKICOVYJEMSCIW-UHFFFAOYSA-N 1 0 333.344 2.018 20 5 EEBDRO COC(=O)c1ccnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000590568727 468274867 /nfs/dbraw/zinc/27/48/67/468274867.db2.gz BIQLEDJWMPRADS-UHFFFAOYSA-N 1 0 336.392 2.498 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590598825 468283047 /nfs/dbraw/zinc/28/30/47/468283047.db2.gz BULWXQJZQOIYTO-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000085455788 462547782 /nfs/dbraw/zinc/54/77/82/462547782.db2.gz AEAXLMQJKUWNQU-RYUDHWBXSA-N 1 0 341.433 2.276 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000060949438 462571502 /nfs/dbraw/zinc/57/15/02/462571502.db2.gz ZTMLKVGNGNONRM-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590684564 468305219 /nfs/dbraw/zinc/30/52/19/468305219.db2.gz SPFKYALIXKTULL-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO CC1CC[NH+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000153525248 462660590 /nfs/dbraw/zinc/66/05/90/462660590.db2.gz WATPLPRTBIFCSD-UHFFFAOYSA-N 1 0 344.415 2.467 20 5 EEBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000063781907 462672101 /nfs/dbraw/zinc/67/21/01/462672101.db2.gz DRYLHJAUNOUDEG-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1cc(C[N@H+](CCO)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000064516352 462708171 /nfs/dbraw/zinc/70/81/71/462708171.db2.gz TWLZVRYMZIBCKS-UHFFFAOYSA-N 1 0 346.330 2.409 20 5 EEBDRO CCOc1ccc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000153947147 462711310 /nfs/dbraw/zinc/71/13/10/462711310.db2.gz FQHHGDWZSNEWET-HNNXBMFYSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000590723797 468317078 /nfs/dbraw/zinc/31/70/78/468317078.db2.gz RYBMDMCYZHEXHI-LBPRGKRZSA-N 1 0 336.392 2.005 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000154633120 462790923 /nfs/dbraw/zinc/79/09/23/462790923.db2.gz XLEPEMSESDCJKH-MSOLQXFVSA-N 1 0 328.368 2.220 20 5 EEBDRO CNC(=O)c1ccc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586842 462802311 /nfs/dbraw/zinc/80/23/11/462802311.db2.gz RYLPUHVSRNHMDA-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO Cn1cc([C@H](CO)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000090884764 462814263 /nfs/dbraw/zinc/81/42/63/462814263.db2.gz QVBNBBYHPZJFAS-XYPHTWIQSA-N 1 0 344.415 2.363 20 5 EEBDRO C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000047856740 462828915 /nfs/dbraw/zinc/82/89/15/462828915.db2.gz OOAAGQASSAHCQR-SECBINFHSA-N 1 0 349.309 2.216 20 5 EEBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000076461049 462864133 /nfs/dbraw/zinc/86/41/33/462864133.db2.gz ZXSHSDIFJWTTNV-CYBMUJFWSA-N 1 0 330.392 2.244 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000155392639 462885856 /nfs/dbraw/zinc/88/58/56/462885856.db2.gz XUCZUSAYRPPPSE-CZUORRHYSA-N 1 0 333.388 2.424 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000119351431 462891501 /nfs/dbraw/zinc/89/15/01/462891501.db2.gz LGWVBLMZUXHIJM-LBPRGKRZSA-N 1 0 345.403 2.179 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155573043 462911865 /nfs/dbraw/zinc/91/18/65/462911865.db2.gz BLLQKWVXHCBWGO-XJKCOSOUSA-N 1 0 333.388 2.423 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000077171034 462946309 /nfs/dbraw/zinc/94/63/09/462946309.db2.gz OLTXTUZYMYJHDW-WMLDXEAASA-N 1 0 331.372 2.500 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156088289 462977583 /nfs/dbraw/zinc/97/75/83/462977583.db2.gz SYIDRGMAXNZUKY-LDYMZIIASA-N 1 0 342.193 2.309 20 5 EEBDRO CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000050784513 463009868 /nfs/dbraw/zinc/00/98/68/463009868.db2.gz CZHVNVMMAKORJK-DOMZBBRYSA-N 1 0 331.372 2.349 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000022696028 463053005 /nfs/dbraw/zinc/05/30/05/463053005.db2.gz DKHMJRQEMISNJT-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067906543 463065875 /nfs/dbraw/zinc/06/58/75/463065875.db2.gz JCGCPPARNKDPNU-KGLIPLIRSA-N 1 0 349.431 2.383 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccncc1 ZINC000121529946 463151745 /nfs/dbraw/zinc/15/17/45/463151745.db2.gz QLFOKYUSTYPMFB-ZDUSSCGKSA-N 1 0 328.372 2.491 20 5 EEBDRO COc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000028068102 463216236 /nfs/dbraw/zinc/21/62/36/463216236.db2.gz TTWWGALKMXBFLJ-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550128 463227767 /nfs/dbraw/zinc/22/77/67/463227767.db2.gz NCGXTJBAKCNCSW-GXTWGEPZSA-N 1 0 334.376 2.352 20 5 EEBDRO O=C(NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000055902821 463359435 /nfs/dbraw/zinc/35/94/35/463359435.db2.gz HCSFJCIWRBFRKN-UHFFFAOYSA-N 1 0 347.415 2.354 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000032440939 463377028 /nfs/dbraw/zinc/37/70/28/463377028.db2.gz VZCQTESIBHDFSF-STQMWFEESA-N 1 0 341.433 2.136 20 5 EEBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151127179 463480539 /nfs/dbraw/zinc/48/05/39/463480539.db2.gz RPOUDDJPWCEMOZ-INIZCTEOSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162113353 463484419 /nfs/dbraw/zinc/48/44/19/463484419.db2.gz TYYDBVHOWAAPHO-DOMZBBRYSA-N 1 0 341.433 2.041 20 5 EEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072724188 463540577 /nfs/dbraw/zinc/54/05/77/463540577.db2.gz VVMJXAXQIXMRNT-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162847151 463543283 /nfs/dbraw/zinc/54/32/83/463543283.db2.gz JOCIUORGTXIRTG-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000085363955 463646939 /nfs/dbraw/zinc/64/69/39/463646939.db2.gz VBRHPAKNNYXDLW-UHFFFAOYSA-N 1 0 329.784 2.037 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000044583069 463683978 /nfs/dbraw/zinc/68/39/78/463683978.db2.gz FAGJSZBTFUHDDC-GASCZTMLSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000553530942 468370931 /nfs/dbraw/zinc/37/09/31/468370931.db2.gz YTUPUUXSTDGZIZ-FFLHNBHYSA-N 1 0 346.387 2.075 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261628760 463806845 /nfs/dbraw/zinc/80/68/45/463806845.db2.gz CTBSBMOLRLNRRN-ZDUSSCGKSA-N 1 0 335.795 2.128 20 5 EEBDRO Cc1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268963421 463829011 /nfs/dbraw/zinc/82/90/11/463829011.db2.gz LTJIFETVOJMLNA-GOEBONIOSA-N 1 0 334.420 2.478 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000261753140 463849437 /nfs/dbraw/zinc/84/94/37/463849437.db2.gz LYRBXZJHQIKOAF-MRVPVSSYSA-N 1 0 329.316 2.049 20 5 EEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C2([NH3+])CCCC2)no1 ZINC000261789910 463860489 /nfs/dbraw/zinc/86/04/89/463860489.db2.gz OKZWTFDSBQXVJV-SNVBAGLBSA-N 1 0 349.395 2.311 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553830183 468381137 /nfs/dbraw/zinc/38/11/37/468381137.db2.gz AGIPLXIPQYVIIB-BBRMVZONSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000261838017 463874190 /nfs/dbraw/zinc/87/41/90/463874190.db2.gz VYWASBLFNQPAIJ-ZDUSSCGKSA-N 1 0 334.420 2.169 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194555864 463884233 /nfs/dbraw/zinc/88/42/33/463884233.db2.gz KQYHUBPVNNFKCU-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO COc1cc(CN2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261891345 463890143 /nfs/dbraw/zinc/89/01/43/463890143.db2.gz VOCVVPJRKUHTJC-OAHLLOKOSA-N 1 0 345.346 2.376 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171679336 463905103 /nfs/dbraw/zinc/90/51/03/463905103.db2.gz GDGSGYYJKFLREY-LBPRGKRZSA-N 1 0 349.391 2.286 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1SC ZINC000269232461 463920053 /nfs/dbraw/zinc/92/00/53/463920053.db2.gz VVUKGNBEOOYPFE-ONGXEEELSA-N 1 0 339.417 2.135 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000269288345 463941982 /nfs/dbraw/zinc/94/19/82/463941982.db2.gz SGVIREVGSMECOR-ZBFHGGJFSA-N 1 0 330.388 2.274 20 5 EEBDRO CCOC(=O)C1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351916280 465439359 /nfs/dbraw/zinc/43/93/59/465439359.db2.gz XSKHHFOKUFQUMO-GFCCVEGCSA-N 1 0 349.387 2.245 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262730985 464038934 /nfs/dbraw/zinc/03/89/34/464038934.db2.gz DCIFWLKZVNDTAB-SMDDNHRTSA-N 1 0 341.433 2.048 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1([NH+](C)C)CCC1 ZINC000186981759 464087700 /nfs/dbraw/zinc/08/77/00/464087700.db2.gz OMZKINQUAFKJSX-CYBMUJFWSA-N 1 0 334.420 2.338 20 5 EEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000263677522 464149156 /nfs/dbraw/zinc/14/91/56/464149156.db2.gz HMRPPWDSFIJLOJ-OAHLLOKOSA-N 1 0 338.383 2.089 20 5 EEBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292328398 464197821 /nfs/dbraw/zinc/19/78/21/464197821.db2.gz WERAHKARIPTMNS-SNVBAGLBSA-N 1 0 348.346 2.450 20 5 EEBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000292437938 464233181 /nfs/dbraw/zinc/23/31/81/464233181.db2.gz RJFJSOQEQAQIHY-LLVKDONJSA-N 1 0 325.384 2.325 20 5 EEBDRO O=C(N[C@@H]1CCCOCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000180175335 464259168 /nfs/dbraw/zinc/25/91/68/464259168.db2.gz WEBQADZEMCJQSY-CYBMUJFWSA-N 1 0 330.344 2.079 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000237616840 464348869 /nfs/dbraw/zinc/34/88/69/464348869.db2.gz QXRBKKMQDHLXGK-QGZVFWFLSA-N 1 0 332.404 2.052 20 5 EEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000271664811 464357963 /nfs/dbraw/zinc/35/79/63/464357963.db2.gz HSAWLHQGANPRBN-LBPRGKRZSA-N 1 0 349.412 2.136 20 5 EEBDRO CCc1ccc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271708993 464367851 /nfs/dbraw/zinc/36/78/51/464367851.db2.gz JFICSDPITHZMTB-INIZCTEOSA-N 1 0 332.404 2.240 20 5 EEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174314500 464392742 /nfs/dbraw/zinc/39/27/42/464392742.db2.gz CPWCFWWKWNTUPA-OLZOCXBDSA-N 1 0 341.433 2.041 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000174339478 464395239 /nfs/dbraw/zinc/39/52/39/464395239.db2.gz GNKIWDZOKOVZEZ-CZUORRHYSA-N 1 0 349.431 2.074 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246248124 464562515 /nfs/dbraw/zinc/56/25/15/464562515.db2.gz VZCVHPMKPHMTJS-CABCVRRESA-N 1 0 348.447 2.268 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000189981332 464578465 /nfs/dbraw/zinc/57/84/65/464578465.db2.gz LRJWMGFCEDWCFY-DOTOQJQBSA-N 1 0 338.404 2.129 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000190385815 464632757 /nfs/dbraw/zinc/63/27/57/464632757.db2.gz YJSGZWXFXDMJSK-JOYOIKCWSA-N 1 0 346.330 2.408 20 5 EEBDRO O=C(CC[NH2+]Cc1cccc2c1OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000554527542 468415829 /nfs/dbraw/zinc/41/58/29/468415829.db2.gz IZQSXNJGWPTZDX-UHFFFAOYSA-N 1 0 343.339 2.442 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285977077 464762442 /nfs/dbraw/zinc/76/24/42/464762442.db2.gz WXFWFVHZAKFOEH-LSDHHAIUSA-N 1 0 347.415 2.367 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248613810 464772204 /nfs/dbraw/zinc/77/22/04/464772204.db2.gz LOAYGBWRSSPFOK-LWWSYDQCSA-N 1 0 335.429 2.271 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248613808 464772281 /nfs/dbraw/zinc/77/22/81/464772281.db2.gz LOAYGBWRSSPFOK-GVARAGBVSA-N 1 0 335.429 2.271 20 5 EEBDRO CCC[NH2+][C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295297240 464780071 /nfs/dbraw/zinc/78/00/71/464780071.db2.gz XIKNFDDINXWRCF-ZDUSSCGKSA-N 1 0 335.404 2.353 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000286053374 464788483 /nfs/dbraw/zinc/78/84/83/464788483.db2.gz HXUKNFDJUFLWES-NWDGAFQWSA-N 1 0 336.392 2.309 20 5 EEBDRO C[N@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000266747366 464807293 /nfs/dbraw/zinc/80/72/93/464807293.db2.gz MMNOMAVROZBIDD-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900514 464864375 /nfs/dbraw/zinc/86/43/75/464864375.db2.gz UBFNXMLQVGSEHZ-YOEHRIQHSA-N 1 0 348.447 2.188 20 5 EEBDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900508 464864544 /nfs/dbraw/zinc/86/45/44/464864544.db2.gz UBFNXMLQVGSEHZ-PBHICJAKSA-N 1 0 348.447 2.188 20 5 EEBDRO Cc1nc(NC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295583216 464891270 /nfs/dbraw/zinc/89/12/70/464891270.db2.gz SGXCMOMZEPCQFK-UHFFFAOYSA-N 1 0 328.376 2.165 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599992609 468430467 /nfs/dbraw/zinc/43/04/67/468430467.db2.gz YTUBCQMGQZBYJN-SIXLDLHFSA-N 1 0 331.416 2.182 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298662008 465464529 /nfs/dbraw/zinc/46/45/29/465464529.db2.gz YASLWYBFFPQKDA-LBPRGKRZSA-N 1 0 339.392 2.025 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330552016 465702887 /nfs/dbraw/zinc/70/28/87/465702887.db2.gz FFCFMJJECBICPA-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344611271 465721207 /nfs/dbraw/zinc/72/12/07/465721207.db2.gz MPZTYVPWCOBFIB-LBPRGKRZSA-N 1 0 337.424 2.121 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000299434409 465748247 /nfs/dbraw/zinc/74/82/47/465748247.db2.gz GPGIEOSDMOPHJO-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084348 465755418 /nfs/dbraw/zinc/75/54/18/465755418.db2.gz PVCCXLHRFUGZEC-CMPLNLGQSA-N 1 0 327.331 2.238 20 5 EEBDRO COc1cc(C[NH2+]CCc2ncc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000340109000 465773650 /nfs/dbraw/zinc/77/36/50/465773650.db2.gz MZQSLVUHDNXQLP-UHFFFAOYSA-N 1 0 332.360 2.043 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000361210072 465838536 /nfs/dbraw/zinc/83/85/36/465838536.db2.gz ADNVDFJDDNICCH-AWEZNQCLSA-N 1 0 346.431 2.440 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301280279 465935414 /nfs/dbraw/zinc/93/54/14/465935414.db2.gz NXAYYHUIBDZKAE-GFCCVEGCSA-N 1 0 328.800 2.412 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000594016680 468461629 /nfs/dbraw/zinc/46/16/29/468461629.db2.gz DNPJLQWPRUJXMH-CQSZACIVSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000353535680 465960490 /nfs/dbraw/zinc/96/04/90/465960490.db2.gz WNYRHXPRZMYKOS-UKPHBRMFSA-N 1 0 343.431 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000331365975 466051657 /nfs/dbraw/zinc/05/16/57/466051657.db2.gz CUHIDVMRRLFSCM-KSZLIROESA-N 1 0 334.416 2.389 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000346289681 466063807 /nfs/dbraw/zinc/06/38/07/466063807.db2.gz GDPHIGVVPNGMPF-GOSISDBHSA-N 1 0 346.431 2.341 20 5 EEBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000338370588 466068418 /nfs/dbraw/zinc/06/84/18/466068418.db2.gz NHEHSRICGRYBKD-UHFFFAOYSA-N 1 0 338.408 2.272 20 5 EEBDRO [NH3+]Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000361612274 466144455 /nfs/dbraw/zinc/14/44/55/466144455.db2.gz WGGJAWKEBWVVSE-UHFFFAOYSA-N 1 0 328.372 2.201 20 5 EEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1CCO ZINC000302565846 466154789 /nfs/dbraw/zinc/15/47/89/466154789.db2.gz WHPLEXVGKBYKIL-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC000349721539 466205544 /nfs/dbraw/zinc/20/55/44/466205544.db2.gz LDHRBSBMSGLLHM-STQMWFEESA-N 1 0 344.419 2.309 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)[NH+](C)C ZINC000357859182 466268539 /nfs/dbraw/zinc/26/85/39/466268539.db2.gz HKQSOFRQJGQCFH-BLLLJJGKSA-N 1 0 345.403 2.058 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577837 468485729 /nfs/dbraw/zinc/48/57/29/468485729.db2.gz IPCJMPINUKIFPC-ZBFHGGJFSA-N 1 0 329.404 2.149 20 5 EEBDRO Cc1sc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000350313028 466458303 /nfs/dbraw/zinc/45/83/03/466458303.db2.gz DUMCRXRWNONBSC-UHFFFAOYSA-N 1 0 347.462 2.071 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[NH+](C)C)CC1 ZINC000354377454 466519181 /nfs/dbraw/zinc/51/91/81/466519181.db2.gz CAVJZFREBYMMEQ-ZDUSSCGKSA-N 1 0 334.420 2.195 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)n1 ZINC000347344496 466580160 /nfs/dbraw/zinc/58/01/60/466580160.db2.gz QLZZBHBMBQQSCL-UONOGXRCSA-N 1 0 348.428 2.292 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000325234721 466655983 /nfs/dbraw/zinc/65/59/83/466655983.db2.gz BYZTYHCGQCWWSC-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452594 466683289 /nfs/dbraw/zinc/68/32/89/466683289.db2.gz YPFQZVVDBRDMAY-SECBINFHSA-N 1 0 332.282 2.487 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365206234 466744975 /nfs/dbraw/zinc/74/49/75/466744975.db2.gz WUAIETDAOJBZQK-PBHICJAKSA-N 1 0 333.388 2.389 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411214513 466784266 /nfs/dbraw/zinc/78/42/66/466784266.db2.gz FXKJOSGTZHEVPZ-LBPRGKRZSA-N 1 0 349.387 2.197 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000423665120 466798392 /nfs/dbraw/zinc/79/83/92/466798392.db2.gz GHKMRUQEGQQTQQ-BETUJISGSA-N 1 0 340.383 2.215 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F ZINC000423718786 466813033 /nfs/dbraw/zinc/81/30/33/466813033.db2.gz CFPSSOFJJHYWKI-NSHDSACASA-N 1 0 342.277 2.153 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417720168 466917171 /nfs/dbraw/zinc/91/71/71/466917171.db2.gz RFNGPUDCBNVRLD-CQSZACIVSA-N 1 0 349.435 2.004 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000411974450 466954313 /nfs/dbraw/zinc/95/43/13/466954313.db2.gz YQLXNKJWPMINAU-GOSISDBHSA-N 1 0 343.358 2.363 20 5 EEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000424028654 466956898 /nfs/dbraw/zinc/95/68/98/466956898.db2.gz YWIOCQXLVPJEDG-CMPLNLGQSA-N 1 0 325.796 2.234 20 5 EEBDRO [NH3+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000424043005 466962093 /nfs/dbraw/zinc/96/20/93/466962093.db2.gz MJIVANYDMGBYGA-UHFFFAOYSA-N 1 0 343.427 2.407 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424059260 466967387 /nfs/dbraw/zinc/96/73/87/466967387.db2.gz VMMSPXWBASSMPW-SCRDCRAPSA-N 1 0 335.404 2.439 20 5 EEBDRO [NH3+]C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000418094507 467042871 /nfs/dbraw/zinc/04/28/71/467042871.db2.gz UTUDAVKYTPJWPW-UHFFFAOYSA-N 1 0 346.309 2.294 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412283118 467058262 /nfs/dbraw/zinc/05/82/62/467058262.db2.gz HVTMXQYTRDYWDQ-BBWFWOEESA-N 1 0 331.416 2.497 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418345820 467095734 /nfs/dbraw/zinc/09/57/34/467095734.db2.gz PJVAPHICAJWSIT-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO C[NH+](C)CCOc1cc(CNc2ncc([N+](=O)[O-])cc2F)ccn1 ZINC000413207064 467190177 /nfs/dbraw/zinc/19/01/77/467190177.db2.gz CLZCFLGWZYDCGI-UHFFFAOYSA-N 1 0 335.339 2.076 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H](C[NH+]4CCOCC4)C3)ccnc21 ZINC000432331204 467231394 /nfs/dbraw/zinc/23/13/94/467231394.db2.gz KCEZBCZICPRHGZ-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO Cn1cc(C[NH2+]CCC2CC(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432351398 467234577 /nfs/dbraw/zinc/23/45/77/467234577.db2.gz MGDRZEMARPUKCO-UHFFFAOYSA-N 1 0 330.388 2.246 20 5 EEBDRO Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000413485316 467252391 /nfs/dbraw/zinc/25/23/91/467252391.db2.gz VUTWJKBMCLYYAZ-UHFFFAOYSA-N 1 0 348.447 2.112 20 5 EEBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000451860816 467275656 /nfs/dbraw/zinc/27/56/56/467275656.db2.gz XCNHTJIAPKKXEJ-LSDHHAIUSA-N 1 0 333.388 2.083 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433064102 467287749 /nfs/dbraw/zinc/28/77/49/467287749.db2.gz VUPYVDZRGCSUPW-NVXWUHKLSA-N 1 0 330.388 2.032 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000452081131 467315215 /nfs/dbraw/zinc/31/52/15/467315215.db2.gz CXNKTVFZNNVULG-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CCc1cc(N2CC[NH2+]C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420181274 467317546 /nfs/dbraw/zinc/31/75/46/467317546.db2.gz XRQFRGMORHSNAF-LBPRGKRZSA-N 1 0 327.388 2.412 20 5 EEBDRO O=C(CC[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000429305311 467322882 /nfs/dbraw/zinc/32/28/82/467322882.db2.gz CDTDUKHYPTTYKW-ZDUSSCGKSA-N 1 0 341.367 2.386 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429305124 467323408 /nfs/dbraw/zinc/32/34/08/467323408.db2.gz ZOISHQSQNSISOB-BXUZGUMPSA-N 1 0 341.367 2.384 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C(C)C ZINC000429363041 467329401 /nfs/dbraw/zinc/32/94/01/467329401.db2.gz OEOPORLVABDSGT-LRDDRELGSA-N 1 0 346.387 2.491 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433836340 467357680 /nfs/dbraw/zinc/35/76/80/467357680.db2.gz NXWFKGWFVUTLST-RYUDHWBXSA-N 1 0 337.424 2.434 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420456193 467413685 /nfs/dbraw/zinc/41/36/85/467413685.db2.gz GSJZPNGSJITFMD-INIZCTEOSA-N 1 0 349.412 2.136 20 5 EEBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000453434003 467488923 /nfs/dbraw/zinc/48/89/23/467488923.db2.gz XAVQICROPHUWBE-UHFFFAOYSA-N 1 0 344.419 2.311 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000431038950 467490021 /nfs/dbraw/zinc/49/00/21/467490021.db2.gz VBHKVFFGVKESBL-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO CCN1C[C@H](C)N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000408041734 467499448 /nfs/dbraw/zinc/49/94/48/467499448.db2.gz OESWCPYFLCIPDG-OLZOCXBDSA-N 1 0 341.433 2.006 20 5 EEBDRO C[S@](=O)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000436295761 467527171 /nfs/dbraw/zinc/52/71/71/467527171.db2.gz ZTIFPUADKLPKKX-BTELXILVSA-N 1 0 340.449 2.166 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454539937 467599680 /nfs/dbraw/zinc/59/96/80/467599680.db2.gz ASUXKUZMNOMJNG-WBVHZDCISA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000449243297 467625289 /nfs/dbraw/zinc/62/52/89/467625289.db2.gz JSCAKWCCGJILJN-YVEFUNNKSA-N 1 0 338.404 2.208 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449294667 467628734 /nfs/dbraw/zinc/62/87/34/467628734.db2.gz MGESQICHQNVTKX-IBGZPJMESA-N 1 0 339.395 2.185 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)F)cc1SC ZINC000449620500 467671762 /nfs/dbraw/zinc/67/17/62/467671762.db2.gz FHKLOWQFKSBRCE-MRVPVSSYSA-N 1 0 349.359 2.038 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449642907 467674682 /nfs/dbraw/zinc/67/46/82/467674682.db2.gz YBROBFWNCNHBPI-DZGCQCFKSA-N 1 0 346.431 2.442 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449720929 467699251 /nfs/dbraw/zinc/69/92/51/467699251.db2.gz TVDZHHIPQVFGDF-HUUCEWRRSA-N 1 0 349.434 2.398 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493675746 467962122 /nfs/dbraw/zinc/96/21/22/467962122.db2.gz RGJLMHFNMQMKKQ-TWGQIWQCSA-N 1 0 347.415 2.177 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000493698016 467966165 /nfs/dbraw/zinc/96/61/65/467966165.db2.gz ZPDJEXOMZLIVKO-QQNRWZHASA-N 1 0 329.400 2.456 20 5 EEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000479143993 467998612 /nfs/dbraw/zinc/99/86/12/467998612.db2.gz YVPVSJIOQHAPTM-YPMHNXCESA-N 1 0 347.375 2.256 20 5 EEBDRO CNc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000516570924 468035002 /nfs/dbraw/zinc/03/50/02/468035002.db2.gz CBNUWKSLYHPIBH-GFCCVEGCSA-N 1 0 341.371 2.100 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000516762467 468045500 /nfs/dbraw/zinc/04/55/00/468045500.db2.gz AVJXEEKXLDLRBW-DZGCQCFKSA-N 1 0 344.367 2.100 20 5 EEBDRO CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487956546 468062873 /nfs/dbraw/zinc/06/28/73/468062873.db2.gz LTPLRJJNDNSSPB-BBRMVZONSA-N 1 0 334.420 2.194 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488036517 468068827 /nfs/dbraw/zinc/06/88/27/468068827.db2.gz RPBNPIIPGMOKHK-IUODEOHRSA-N 1 0 335.404 2.331 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532202914 468102650 /nfs/dbraw/zinc/10/26/50/468102650.db2.gz GQGTWMGSGGZRIF-CYBMUJFWSA-N 1 0 343.449 2.225 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532530740 468122742 /nfs/dbraw/zinc/12/27/42/468122742.db2.gz MHFBCYZADIEQIF-ZIAGYGMSSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000489876934 468172793 /nfs/dbraw/zinc/17/27/93/468172793.db2.gz VUJKPLAQEPXQFE-MAZHCROVSA-N 1 0 332.404 2.044 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000533454000 468200866 /nfs/dbraw/zinc/20/08/66/468200866.db2.gz FTMRQPUFRLJMPI-SWLSCSKDSA-N 1 0 332.404 2.022 20 5 EEBDRO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590033663 468206412 /nfs/dbraw/zinc/20/64/12/468206412.db2.gz WNFWWURXKGTZME-AWEZNQCLSA-N 1 0 331.416 2.473 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594212102 468514534 /nfs/dbraw/zinc/51/45/34/468514534.db2.gz SLPRQSBTQPRKHW-HZPDHXFCSA-N 1 0 332.404 2.411 20 5 EEBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759160 468516173 /nfs/dbraw/zinc/51/61/73/468516173.db2.gz HGQGWYGEMVDFQQ-KFWWJZLASA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000591767442 468518250 /nfs/dbraw/zinc/51/82/50/468518250.db2.gz PKYCVVZVTUACDG-ILDUYXDCSA-N 1 0 334.294 2.265 20 5 EEBDRO Nc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418557 468579133 /nfs/dbraw/zinc/57/91/33/468579133.db2.gz KDNJFASVYGAOGC-CHWSQXEVSA-N 1 0 336.367 2.063 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2cccc(Cl)c2)c1 ZINC000570444582 468638958 /nfs/dbraw/zinc/63/89/58/468638958.db2.gz RZESLMLDDRFZPO-OAHLLOKOSA-N 1 0 338.795 2.028 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)c1 ZINC000600729829 468640041 /nfs/dbraw/zinc/64/00/41/468640041.db2.gz XUZQSJKTIZMYQX-UHFFFAOYSA-N 1 0 344.415 2.470 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc(Br)cc([N+](=O)[O-])c2=O)CC1 ZINC000592159765 468642237 /nfs/dbraw/zinc/64/22/37/468642237.db2.gz FWNOKNGGLICBKK-MGCOHNPYSA-N 1 0 344.209 2.284 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597708829 468646937 /nfs/dbraw/zinc/64/69/37/468646937.db2.gz PFZDPILGAIDMGS-UHFFFAOYSA-N 1 0 331.294 2.247 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597714163 468649402 /nfs/dbraw/zinc/64/94/02/468649402.db2.gz GWEFSZMQNQNVKI-GOSISDBHSA-N 1 0 347.415 2.090 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255423 468666284 /nfs/dbraw/zinc/66/62/84/468666284.db2.gz OYTFZYOXBDXJIT-KGLIPLIRSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597859918 468696013 /nfs/dbraw/zinc/69/60/13/468696013.db2.gz IAGAEXBIUBVOMJ-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CC1 ZINC000595053128 468750177 /nfs/dbraw/zinc/75/01/77/468750177.db2.gz ZVOZFCXQNVXROY-CYBMUJFWSA-N 1 0 335.404 2.119 20 5 EEBDRO NC(=O)c1csc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595083232 468754854 /nfs/dbraw/zinc/75/48/54/468754854.db2.gz WSMNRIKSFIEGLN-LBPRGKRZSA-N 1 0 346.412 2.261 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000583992949 468782875 /nfs/dbraw/zinc/78/28/75/468782875.db2.gz NDSFJSMCVYUSNQ-CQSZACIVSA-N 1 0 332.404 2.098 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221920 468797682 /nfs/dbraw/zinc/79/76/82/468797682.db2.gz YOFIWVQHPMXSGD-AWEZNQCLSA-N 1 0 347.415 2.497 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000571626845 468813818 /nfs/dbraw/zinc/81/38/18/468813818.db2.gz MFHRZIVAGGUIDZ-VRKREXBASA-N 1 0 333.436 2.490 20 5 EEBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000584350772 468852880 /nfs/dbraw/zinc/85/28/80/468852880.db2.gz BSZBHBQHELFCDS-WBVHZDCISA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](CO)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000593085303 468864900 /nfs/dbraw/zinc/86/49/00/468864900.db2.gz UHNGOOGLPGXOCV-GFCCVEGCSA-N 1 0 336.388 2.302 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598589789 468924910 /nfs/dbraw/zinc/92/49/10/468924910.db2.gz JNIWZUKAJSJIQH-VXGBXAGGSA-N 1 0 336.392 2.451 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595672348 468948264 /nfs/dbraw/zinc/94/82/64/468948264.db2.gz ICBSKGXPPJQNHC-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598713339 468970204 /nfs/dbraw/zinc/97/02/04/468970204.db2.gz BCAAAYCUOYGSKZ-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000602669569 469001691 /nfs/dbraw/zinc/00/16/91/469001691.db2.gz JTGXYZVHXWPQTO-NEPJUHHUSA-N 1 0 334.294 2.243 20 5 EEBDRO CN(CC[NH+]1CCCCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000593516614 469012442 /nfs/dbraw/zinc/01/24/42/469012442.db2.gz PHGYVBVLUAAYKJ-UHFFFAOYSA-N 1 0 331.376 2.166 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595806778 469020116 /nfs/dbraw/zinc/02/01/16/469020116.db2.gz GFWZOMRGVRXVDT-UHFFFAOYSA-N 1 0 349.431 2.018 20 5 EEBDRO Cc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000585785525 469032859 /nfs/dbraw/zinc/03/28/59/469032859.db2.gz BDMUDLQIXWYQSC-CABCVRRESA-N 1 0 341.371 2.054 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000595916356 469082019 /nfs/dbraw/zinc/08/20/19/469082019.db2.gz QPUGNAZEWNKLTI-UHFFFAOYSA-N 1 0 346.412 2.144 20 5 EEBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800520 469084474 /nfs/dbraw/zinc/08/44/74/469084474.db2.gz XMZVJKLLPFNSJH-CYBMUJFWSA-N 1 0 338.408 2.011 20 5 EEBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925098 469086761 /nfs/dbraw/zinc/08/67/61/469086761.db2.gz RRCYGQOBFQKZQK-KBPBESRZSA-N 1 0 349.435 2.014 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593759196 469127203 /nfs/dbraw/zinc/12/72/03/469127203.db2.gz UDCNQBHBBRBYEE-WOSRLPQWSA-N 1 0 348.403 2.345 20 5 EEBDRO COc1cccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000596055630 469130117 /nfs/dbraw/zinc/13/01/17/469130117.db2.gz TZWUPUSYSVXGQA-CQSZACIVSA-N 1 0 332.360 2.419 20 5 EEBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000596073934 469141399 /nfs/dbraw/zinc/14/13/99/469141399.db2.gz ORSDFBLTPHAUIK-UHFFFAOYSA-N 1 0 344.362 2.246 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084527 469156125 /nfs/dbraw/zinc/15/61/25/469156125.db2.gz CIBWXBDJSWACOW-ZDUSSCGKSA-N 1 0 334.420 2.263 20 5 EEBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1([NH+](C)C)CCC1 ZINC000615140322 469163458 /nfs/dbraw/zinc/16/34/58/469163458.db2.gz PJCKXNGESPJABT-UHFFFAOYSA-N 1 0 335.404 2.282 20 5 EEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)CCC(F)(F)F ZINC000596210181 469203213 /nfs/dbraw/zinc/20/32/13/469203213.db2.gz LIEPFHZHDNZWBJ-UHFFFAOYSA-N 1 0 348.325 2.380 20 5 EEBDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573795818 469206753 /nfs/dbraw/zinc/20/67/53/469206753.db2.gz XUJYZDIHQWGTFY-QWHCGFSZSA-N 1 0 332.404 2.138 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)C1)OCCO2 ZINC000611261573 469212342 /nfs/dbraw/zinc/21/23/42/469212342.db2.gz MYKARHKSMHNOND-OAHLLOKOSA-N 1 0 347.415 2.426 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000596295545 469235034 /nfs/dbraw/zinc/23/50/34/469235034.db2.gz WSLBJAHLZJLFCA-LBPRGKRZSA-N 1 0 340.811 2.334 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611409104 469242876 /nfs/dbraw/zinc/24/28/76/469242876.db2.gz NPNPBJVMGAZPPP-YGRLFVJLSA-N 1 0 335.360 2.290 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599552028 469290810 /nfs/dbraw/zinc/29/08/10/469290810.db2.gz CUBTURWUJZNGCT-LBPRGKRZSA-N 1 0 330.331 2.456 20 5 EEBDRO Cc1cc(NCC(=O)NC2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611921347 469344972 /nfs/dbraw/zinc/34/49/72/469344972.db2.gz UIOINKOXHIFIKA-UHFFFAOYSA-N 1 0 328.372 2.344 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602563582 469362356 /nfs/dbraw/zinc/36/23/56/469362356.db2.gz MUJDZKQGPPHHAB-LSDHHAIUSA-N 1 0 334.420 2.362 20 5 EEBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 ZINC000602563609 469362415 /nfs/dbraw/zinc/36/24/15/469362415.db2.gz NCPDKORBQDYXJU-UHFFFAOYSA-N 1 0 334.420 2.365 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2ccsc2[N+](=O)[O-])CC1 ZINC000604466473 469480556 /nfs/dbraw/zinc/48/05/56/469480556.db2.gz GDYFGDARRCBNPI-UHFFFAOYSA-N 1 0 333.417 2.415 20 5 EEBDRO Cc1n[nH]c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000614119717 469858085 /nfs/dbraw/zinc/85/80/85/469858085.db2.gz ICXFBODJMHBYJK-UHFFFAOYSA-N 1 0 337.424 2.401 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])cc1O ZINC000608781844 469877525 /nfs/dbraw/zinc/87/75/25/469877525.db2.gz AZIRIORYDLZAGY-ZDUSSCGKSA-N 1 0 344.371 2.055 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@H](n2ccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157460 469898812 /nfs/dbraw/zinc/89/88/12/469898812.db2.gz RUIBLBADMCYVER-AWEZNQCLSA-N 1 0 343.387 2.457 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471385 469930184 /nfs/dbraw/zinc/93/01/84/469930184.db2.gz ZVAQFVKAGIEGNG-CYBMUJFWSA-N 1 0 338.408 2.003 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602538198 485641268 /nfs/dbraw/zinc/64/12/68/485641268.db2.gz AGVRULITKXDGMN-KCJUWKMLSA-N 1 0 349.284 2.333 20 5 EEBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602570804 485644135 /nfs/dbraw/zinc/64/41/35/485644135.db2.gz UFAHYNSVXAYLFC-KGLIPLIRSA-N 1 0 334.420 2.363 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000183622680 534424566 /nfs/dbraw/zinc/42/45/66/534424566.db2.gz FJKPKPXDILGBHD-GUTXKFCHSA-N 1 0 345.403 2.328 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+](C)C ZINC000181876146 528529172 /nfs/dbraw/zinc/52/91/72/528529172.db2.gz DUFWPNPFFDCIJF-GFCCVEGCSA-N 1 0 337.376 2.030 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000425059879 536488303 /nfs/dbraw/zinc/48/83/03/536488303.db2.gz SXWSWVBAWIWVBW-SWLSCSKDSA-N 1 0 328.372 2.242 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000733166163 577206097 /nfs/dbraw/zinc/20/60/97/577206097.db2.gz GAFVVZHFRDEPJD-CQSZACIVSA-N 1 0 345.403 2.097 20 5 EEBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772748851 577293746 /nfs/dbraw/zinc/29/37/46/577293746.db2.gz AZOBVULANTXEPQ-JTQLQIEISA-N 1 0 337.767 2.062 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587656 577463464 /nfs/dbraw/zinc/46/34/64/577463464.db2.gz XZININIEYAFIIB-KRWDZBQOSA-N 1 0 347.415 2.105 20 5 EEBDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847357 577508198 /nfs/dbraw/zinc/50/81/98/577508198.db2.gz BDDWJBWZNULATH-AEFFLSMTSA-N 1 0 330.384 2.476 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2nc3ccccn3c2[N+](=O)[O-])CCCO1 ZINC000763053817 577713588 /nfs/dbraw/zinc/71/35/88/577713588.db2.gz GCAHTZXTUBBUNS-CYBMUJFWSA-N 1 0 333.392 2.155 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000756286702 577841492 /nfs/dbraw/zinc/84/14/92/577841492.db2.gz KHXWNJKKXQRTIA-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757263995 577858823 /nfs/dbraw/zinc/85/88/23/577858823.db2.gz ULQSIYQLAUPRNB-UHFFFAOYSA-N 1 0 340.811 2.485 20 5 EEBDRO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000820115903 606037177 /nfs/dbraw/zinc/03/71/77/606037177.db2.gz BKRYXHSBXZFALO-UHFFFAOYSA-N 1 0 348.411 2.091 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(F)c[nH]1 ZINC001020402758 674645218 /nfs/dbraw/zinc/64/52/18/674645218.db2.gz YEBYNUKLCAMQSA-JOCQHMNTSA-N 1 0 332.335 2.113 20 5 EEBDRO CCc1ncoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020568639 675161095 /nfs/dbraw/zinc/16/10/95/675161095.db2.gz XFIFJYDZLCHGNA-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021941336 676555651 /nfs/dbraw/zinc/55/56/51/676555651.db2.gz MWMAOUKYJGXHAS-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000023847505 676572404 /nfs/dbraw/zinc/57/24/04/676572404.db2.gz YUVRIXSRTIPWMQ-UHFFFAOYSA-N 1 0 338.371 2.119 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccns1 ZINC001022153717 676707655 /nfs/dbraw/zinc/70/76/55/676707655.db2.gz XVMLOTGIRSNSKP-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@H]3C=CCC3)c2)CC1 ZINC000934037589 677772022 /nfs/dbraw/zinc/77/20/22/677772022.db2.gz GPNBEVFLSTYFNS-ZDUSSCGKSA-N 1 0 345.403 2.187 20 5 EEBDRO CCc1oncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022791809 678532051 /nfs/dbraw/zinc/53/20/51/678532051.db2.gz AKLIXBJBPFRFPX-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO CCC(=O)N1CCOC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000948992636 683677062 /nfs/dbraw/zinc/67/70/62/683677062.db2.gz KSMAJCPZHBKJAS-UHFFFAOYSA-N 1 0 347.415 2.198 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000895280097 684433074 /nfs/dbraw/zinc/43/30/74/684433074.db2.gz ZOTLFGJOEXSBOJ-AWEZNQCLSA-N 1 0 340.383 2.270 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896542069 685038455 /nfs/dbraw/zinc/03/84/55/685038455.db2.gz BEOJDQVNHDQZKU-SUMWQHHRSA-N 1 0 348.447 2.082 20 5 EEBDRO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985429618 686684108 /nfs/dbraw/zinc/68/41/08/686684108.db2.gz AZIHDQLUDZRAEF-IAGOWNOFSA-N 1 0 349.406 2.222 20 5 EEBDRO C[N@H+](Cc1ccc(CF)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432097 686708839 /nfs/dbraw/zinc/70/88/39/686708839.db2.gz WCKWSQNOUAWKJE-IAGOWNOFSA-N 1 0 349.406 2.244 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000897454844 690560527 /nfs/dbraw/zinc/56/05/27/690560527.db2.gz LNNBORROGWPSPE-AWEZNQCLSA-N 1 0 334.420 2.121 20 5 EEBDRO COc1cc(CNCC2([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000904448549 694398743 /nfs/dbraw/zinc/39/87/43/694398743.db2.gz BAYJPXBLSDFSSU-UHFFFAOYSA-N 1 0 349.309 2.125 20 5 EEBDRO O=C(C1=COCCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990160358 692706030 /nfs/dbraw/zinc/70/60/30/692706030.db2.gz ZUYMRAYNGMMUCA-UHFFFAOYSA-N 1 0 345.399 2.370 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)n2)c1 ZINC000129012114 1177614467 /nfs/dbraw/zinc/61/44/67/1177614467.db2.gz ITCCHJUAZZPJOX-GDBMZVCRSA-N 1 0 343.387 2.312 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001105441686 1187158704 /nfs/dbraw/zinc/15/87/04/1187158704.db2.gz DUJMUGYWBHVFKL-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005381508 1195314076 /nfs/dbraw/zinc/31/40/76/1195314076.db2.gz MHBUKQRHVWCKQX-IAGOWNOFSA-N 1 0 335.448 2.465 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642822 1196463739 /nfs/dbraw/zinc/46/37/39/1196463739.db2.gz GFTMHWINPBXMBW-KLHDSHLOSA-N 1 0 335.379 2.008 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794575246 1197936325 /nfs/dbraw/zinc/93/63/25/1197936325.db2.gz VICHXBRQOAGDAO-JQWIXIFHSA-N 1 0 341.795 2.327 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000810066272 1199255991 /nfs/dbraw/zinc/25/59/91/1199255991.db2.gz JBARCHOPTHSPGB-GFCCVEGCSA-N 1 0 345.321 2.485 20 5 EEBDRO C[NH+](C)CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825835471 1199464275 /nfs/dbraw/zinc/46/42/75/1199464275.db2.gz KKIMYXHEZQKNAD-QGZVFWFLSA-N 1 0 349.431 2.351 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001134387180 1199538910 /nfs/dbraw/zinc/53/89/10/1199538910.db2.gz GWGOGPUMZNLOGM-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO O=C(CCC1CCOCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134725847 1199773416 /nfs/dbraw/zinc/77/34/16/1199773416.db2.gz KYGUEYDHXJFDQZ-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccsc3)CC2)cn1 ZINC000877049970 1199854374 /nfs/dbraw/zinc/85/43/74/1199854374.db2.gz WJSRPKGSAJOGBD-OAHLLOKOSA-N 1 0 348.428 2.343 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cn1 ZINC000877089650 1199860595 /nfs/dbraw/zinc/86/05/95/1199860595.db2.gz LQSGDQPUSCTWGG-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000877339753 1199907359 /nfs/dbraw/zinc/90/73/59/1199907359.db2.gz ANGLIYHTXHBNBL-CQSZACIVSA-N 1 0 341.367 2.048 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000877833489 1200136108 /nfs/dbraw/zinc/13/61/08/1200136108.db2.gz WZCGWKPUSUGQSX-NXWXRZEISA-N 1 0 342.395 2.382 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(Cl)cs1 ZINC001132872759 1200136462 /nfs/dbraw/zinc/13/64/62/1200136462.db2.gz PXEMRWKNAYQUTM-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878104212 1200261299 /nfs/dbraw/zinc/26/12/99/1200261299.db2.gz LGBWGTNEDKGNEF-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC001133035882 1200337825 /nfs/dbraw/zinc/33/78/25/1200337825.db2.gz FJVJJNGWJKFHOP-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO CCOC(=O)Cc1ccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000826108692 1201043393 /nfs/dbraw/zinc/04/33/93/1201043393.db2.gz MWHYBXJHJUBAPM-BETUJISGSA-N 1 0 335.404 2.229 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000879962045 1201326250 /nfs/dbraw/zinc/32/62/50/1201326250.db2.gz LPZWTEFCSXHVGN-CYBMUJFWSA-N 1 0 338.404 2.465 20 5 EEBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866286461 1201484111 /nfs/dbraw/zinc/48/41/11/1201484111.db2.gz XLUBQCHLEVRHAF-QWRGUYRKSA-N 1 0 332.397 2.078 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000121161163 1201577084 /nfs/dbraw/zinc/57/70/84/1201577084.db2.gz IOOAIMWZSTXOQT-LLVKDONJSA-N 1 0 346.387 2.484 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121162886 1201577546 /nfs/dbraw/zinc/57/75/46/1201577546.db2.gz QDNIEEOSTXOUNQ-OAHLLOKOSA-N 1 0 329.404 2.381 20 5 EEBDRO CC1CCN(Cc2cn(CCOc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000883994661 1202193196 /nfs/dbraw/zinc/19/31/96/1202193196.db2.gz IBAHIAMZHMNFNS-UHFFFAOYSA-N 1 0 345.403 2.497 20 5 EEBDRO Cc1c(C(=O)OCCC[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000800138120 1202211878 /nfs/dbraw/zinc/21/18/78/1202211878.db2.gz CNLHUVAOWBDBEX-UHFFFAOYSA-N 1 0 337.332 2.454 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000800160557 1202214566 /nfs/dbraw/zinc/21/45/66/1202214566.db2.gz JRNZEHBIYOIWCZ-UHFFFAOYSA-N 1 0 336.344 2.009 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095363891 1204193762 /nfs/dbraw/zinc/19/37/62/1204193762.db2.gz VWMLYRAUOMWTMT-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1cc(N(C)CCCNC(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001095657752 1205905162 /nfs/dbraw/zinc/90/51/62/1205905162.db2.gz FUNSSHHWUTXMGT-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO COC(=O)c1cncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000930354520 1206551702 /nfs/dbraw/zinc/55/17/02/1206551702.db2.gz PNHSTZJKNJLSFM-UHFFFAOYSA-N 1 0 329.356 2.451 20 5 EEBDRO COc1ccc(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000930774284 1206582047 /nfs/dbraw/zinc/58/20/47/1206582047.db2.gz WBVYEIVUHYZQTR-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441830 1207381127 /nfs/dbraw/zinc/38/11/27/1207381127.db2.gz YYNFWRALCGXBMF-SOUVJXGZSA-N 1 0 346.431 2.114 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724729 1207449371 /nfs/dbraw/zinc/44/93/71/1207449371.db2.gz HYHPZAVWCBSLAW-XPKDYRNWSA-N 1 0 332.404 2.090 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932382248 1207594455 /nfs/dbraw/zinc/59/44/55/1207594455.db2.gz IAPJQPAEVQUZDQ-KSSFIOAISA-N 1 0 343.383 2.470 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCn4ccnc4C3)CC2)cc1 ZINC000779061718 1208485897 /nfs/dbraw/zinc/48/58/97/1208485897.db2.gz MPMXUCOYWGRECP-HNNXBMFYSA-N 1 0 341.415 2.365 20 5 EEBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000795709447 1214995036 /nfs/dbraw/zinc/99/50/36/1214995036.db2.gz YHESLTVBNXLLET-WFASDCNBSA-N 1 0 344.419 2.164 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000796449087 1218196156 /nfs/dbraw/zinc/19/61/56/1218196156.db2.gz KIAJKOOOZHXWDB-GFCCVEGCSA-N 1 0 338.364 2.200 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020055549 1229462956 /nfs/dbraw/zinc/46/29/56/1229462956.db2.gz SETBJGAVCQJLPY-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096050893 1234090179 /nfs/dbraw/zinc/09/01/79/1234090179.db2.gz RTFMNOCMAZGIBS-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000802142391 1236991067 /nfs/dbraw/zinc/99/10/67/1236991067.db2.gz VXESYXGBIQHBCN-CDVVCGDMSA-N 1 0 334.372 2.260 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902997100 1239293307 /nfs/dbraw/zinc/29/33/07/1239293307.db2.gz QCOGKPQRSAZBME-LLVKDONJSA-N 1 0 325.340 2.366 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC001057335053 1243339036 /nfs/dbraw/zinc/33/90/36/1243339036.db2.gz QRYNCODTCHIKSG-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC001097206249 1243823195 /nfs/dbraw/zinc/82/31/95/1243823195.db2.gz XIQBLOLVARYKBV-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121370732 1280467800 /nfs/dbraw/zinc/46/78/00/1280467800.db2.gz DEHJTWGNYUUZFO-GASCZTMLSA-N 1 0 349.431 2.095 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000852008027 1291950469 /nfs/dbraw/zinc/95/04/69/1291950469.db2.gz DJDYJBUNRQBTET-HNNXBMFYSA-N 1 0 337.395 2.421 20 5 EEBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001218024435 1297551341 /nfs/dbraw/zinc/55/13/41/1297551341.db2.gz OBNVXOOIONRKHY-CBAPKCEASA-N 1 0 335.282 2.481 20 5 EEBDRO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218182834 1297593419 /nfs/dbraw/zinc/59/34/19/1297593419.db2.gz JWWDHUIAAWPBSA-VIFPVBQESA-N 1 0 329.150 2.301 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)cc1I ZINC001218282910 1297621159 /nfs/dbraw/zinc/62/11/59/1297621159.db2.gz FIUVICYOCZNHPM-VIFPVBQESA-N 1 0 348.140 2.330 20 5 EEBDRO O=c1c2ccc(O)c(O[C@H]3CCC[NH2+]C3)c2oc2cc(O)cc(O)c12 ZINC001218287667 1297623570 /nfs/dbraw/zinc/62/35/70/1297623570.db2.gz NNFHPMRMVUHRGC-JTQLQIEISA-N 1 0 343.335 2.194 20 5 EEBDRO CC(C)(O)CC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001223052194 1299964426 /nfs/dbraw/zinc/96/44/26/1299964426.db2.gz SIMOHYUPRHDDJD-UHFFFAOYSA-N 1 0 349.431 2.084 20 5 EEBDRO CC(C)(C)OC(=O)N1CCCO[C@H](COCCC[N+](C)(C)C)C1 ZINC001224624622 1300673296 /nfs/dbraw/zinc/67/32/96/1300673296.db2.gz YONOQSWYANVARH-HNNXBMFYSA-N 1 0 331.477 2.125 20 5 EEBDRO CCCCOC(=O)C[C@@H](OCC[N+](C)(C)C)C(=O)OCCCC ZINC001224771019 1300730677 /nfs/dbraw/zinc/73/06/77/1300730677.db2.gz FELHPIVEZHNIDD-OAHLLOKOSA-N 1 0 332.461 2.155 20 5 EEBDRO CN1[C@@H]2C[C@@H](Oc3c4cccnc4ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233780014 1304590258 /nfs/dbraw/zinc/59/02/58/1304590258.db2.gz WSEFGQRMDMODAM-AMKSKSKJSA-N 1 0 327.340 2.326 20 5 EEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001116850805 1305924194 /nfs/dbraw/zinc/92/41/94/1305924194.db2.gz VFJJSPYHLAYUQB-ZFWWWQNUSA-N 1 0 349.387 2.163 20 5 EEBDRO CC(C)(CCc1noc(-c2ccn(-c3cc[nH+]cc3)n2)n1)[N+](=O)[O-] ZINC001117656118 1306140327 /nfs/dbraw/zinc/14/03/27/1306140327.db2.gz GAXRSDWFSIXDKN-UHFFFAOYSA-N 1 0 328.332 2.305 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001118032496 1306250547 /nfs/dbraw/zinc/25/05/47/1306250547.db2.gz QGNZAXLFHQRAKJ-JOCQHMNTSA-N 1 0 332.404 2.385 20 5 EEBDRO Nc1nc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001161103381 1320385190 /nfs/dbraw/zinc/38/51/90/1320385190.db2.gz BFWDABKIQXMDRS-UHFFFAOYSA-N 1 0 328.376 2.044 20 5 EEBDRO COc1cc2ncnc(N[C@]3(C)CCC[N@H+](C)C3)c2cc1[N+](=O)[O-] ZINC001162336970 1320827839 /nfs/dbraw/zinc/82/78/39/1320827839.db2.gz JDUVLUNNFGVGTO-MRXNPFEDSA-N 1 0 331.376 2.443 20 5 EEBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000840036606 1315279666 /nfs/dbraw/zinc/27/96/66/1315279666.db2.gz SOTLJEVSAOXGAC-CXAGYDPISA-N 1 0 331.372 2.221 20 5 EEBDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889443 1315428370 /nfs/dbraw/zinc/42/83/70/1315428370.db2.gz GJEPZIOXZQBAOK-NSHDSACASA-N 1 0 341.433 2.043 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856496 1315624530 /nfs/dbraw/zinc/62/45/30/1315624530.db2.gz QEDJRNHJRIZPBS-VHSXEESVSA-N 1 0 326.784 2.127 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841856585 1315624565 /nfs/dbraw/zinc/62/45/65/1315624565.db2.gz SSQPMDLTWCLMQI-LLVKDONJSA-N 1 0 326.784 2.142 20 5 EEBDRO Cc1c(-c2nc([C@H]([NH3+])C(C)C)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000843150760 1315856013 /nfs/dbraw/zinc/85/60/13/1315856013.db2.gz DHQKNVBUMYPMGW-GFCCVEGCSA-N 1 0 343.347 2.190 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843345852 1315894827 /nfs/dbraw/zinc/89/48/27/1315894827.db2.gz HBPJDUYFOCNIOG-GXFFZTMASA-N 1 0 340.811 2.388 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843355734 1315898931 /nfs/dbraw/zinc/89/89/31/1315898931.db2.gz IMVWPVPYFCBUOP-CQSZACIVSA-N 1 0 328.800 2.150 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843354466 1315899000 /nfs/dbraw/zinc/89/90/00/1315899000.db2.gz IGDLGNLCSUXYIT-LBPRGKRZSA-N 1 0 342.827 2.492 20 5 EEBDRO Cc1ccccc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150542114 1316293600 /nfs/dbraw/zinc/29/36/00/1316293600.db2.gz HJJYHCINFKFRQY-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155453836 1317602843 /nfs/dbraw/zinc/60/28/43/1317602843.db2.gz KKZKZGIGOMFUTP-SNVBAGLBSA-N 1 0 336.783 2.061 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc21 ZINC001155522178 1317634743 /nfs/dbraw/zinc/63/47/43/1317634743.db2.gz DFYVGTIFWSFRLT-NFAWXSAZSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155541878 1317644599 /nfs/dbraw/zinc/64/45/99/1317644599.db2.gz ULDZESTZFSECCD-RFAUZJTJSA-N 1 0 334.763 2.339 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001155548937 1317647073 /nfs/dbraw/zinc/64/70/73/1317647073.db2.gz IRCKUZNHUDWIAF-OCCSQVGLSA-N 1 0 329.316 2.413 20 5 EEBDRO CC(C)Oc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155623772 1317679484 /nfs/dbraw/zinc/67/94/84/1317679484.db2.gz CUSMCHBROYHQID-BLLLJJGKSA-N 1 0 336.392 2.100 20 5 EEBDRO CCOC(=O)[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469915 1318082908 /nfs/dbraw/zinc/08/29/08/1318082908.db2.gz JFVQKFDOANVORQ-ZDUSSCGKSA-N 1 0 335.404 2.352 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOCC2)CC1 ZINC001254550981 1318118002 /nfs/dbraw/zinc/11/80/02/1318118002.db2.gz UVIFEWMQYNEAOH-HNNXBMFYSA-N 1 0 333.432 2.322 20 5 EEBDRO CCC(=O)N1CCC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587675 1318134105 /nfs/dbraw/zinc/13/41/05/1318134105.db2.gz YWOFKKPJNKGFIW-MRXNPFEDSA-N 1 0 331.416 2.300 20 5 EEBDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597464 1318138079 /nfs/dbraw/zinc/13/80/79/1318138079.db2.gz DYENLKUMCDRLJU-DLBZAZTESA-N 1 0 331.416 2.443 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001254888239 1318218497 /nfs/dbraw/zinc/21/84/97/1318218497.db2.gz BFEUMFVZKJCDAG-STQMWFEESA-N 1 0 327.331 2.476 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157022079 1318350919 /nfs/dbraw/zinc/35/09/19/1318350919.db2.gz UAHNKJJGKBBTKN-LBPRGKRZSA-N 1 0 336.392 2.085 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC3(O)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001256087542 1318644129 /nfs/dbraw/zinc/64/41/29/1318644129.db2.gz FAQWQNIAXZKKEI-UHFFFAOYSA-N 1 0 335.404 2.077 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](C)C[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256093559 1318646036 /nfs/dbraw/zinc/64/60/36/1318646036.db2.gz NMFZYQMDMIHJFM-BBRMVZONSA-N 1 0 349.431 2.275 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157472711 1318664590 /nfs/dbraw/zinc/66/45/90/1318664590.db2.gz HKLQZLYJBGWIAI-QGZVFWFLSA-N 1 0 348.403 2.279 20 5 EEBDRO COc1ccnc(N(c2ncc(F)cc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001158320558 1319173144 /nfs/dbraw/zinc/17/31/44/1319173144.db2.gz PTFVELMHSLOMSP-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO CC(C)Oc1nc(NCc2ncn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001158362379 1319200731 /nfs/dbraw/zinc/20/07/31/1319200731.db2.gz JBLMGDTUJDQVPE-UHFFFAOYSA-N 1 0 346.391 2.079 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC3(C2)CC(F)(F)C3)nc1C1C[NH2+]C1 ZINC001160591438 1320207791 /nfs/dbraw/zinc/20/77/91/1320207791.db2.gz IKQCKHRFKBYVTB-UHFFFAOYSA-N 1 0 325.319 2.061 20 5 EEBDRO COCCC1(CNc2nccc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161497490 1320518303 /nfs/dbraw/zinc/51/83/03/1320518303.db2.gz SPCBCZNZYYTVOS-UHFFFAOYSA-N 1 0 328.800 2.461 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CCC1CC1)CCc1ccccc1 ZINC001162810135 1320965049 /nfs/dbraw/zinc/96/50/49/1320965049.db2.gz FGACIHXDGVPJIP-QZTJIDSGSA-N 1 0 345.443 2.113 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC001162982855 1321004662 /nfs/dbraw/zinc/00/46/62/1321004662.db2.gz LGSZGOGOIXETKP-GOEBONIOSA-N 1 0 335.360 2.087 20 5 EEBDRO CCOc1cnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001163056018 1321024964 /nfs/dbraw/zinc/02/49/64/1321024964.db2.gz LZJUJJNZYRTCCE-ZDUSSCGKSA-N 1 0 345.403 2.412 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163162854 1321055080 /nfs/dbraw/zinc/05/50/80/1321055080.db2.gz FUISAZIRIPUFPB-NSODJVPESA-N 1 0 346.362 2.319 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc2cnccc21 ZINC001163328277 1321098349 /nfs/dbraw/zinc/09/83/49/1321098349.db2.gz PKCQJQQUSFYIHR-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001163362399 1321105836 /nfs/dbraw/zinc/10/58/36/1321105836.db2.gz NDOFXTCUSYPTIP-AAEUAGOBSA-N 1 0 336.392 2.307 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001163824275 1321226578 /nfs/dbraw/zinc/22/65/78/1321226578.db2.gz UQFLZCOYQZKKAX-UHFFFAOYSA-N 1 0 327.388 2.406 20 5 EEBDRO CC(C)Oc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165433759 1321525401 /nfs/dbraw/zinc/52/54/01/1321525401.db2.gz KJQKBMCCUFEQNY-RYUDHWBXSA-N 1 0 338.383 2.290 20 5 EEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC001320413450 1332877557 /nfs/dbraw/zinc/87/75/57/1332877557.db2.gz ZBPMJSNRPWWDPS-JTQLQIEISA-N 1 0 328.210 2.493 20 5 EEBDRO [NH3+]C1(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC001333731972 1336118631 /nfs/dbraw/zinc/11/86/31/1336118631.db2.gz YVBIWHYOUZZLAO-UHFFFAOYSA-N 1 0 342.193 2.245 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334075695 1336202173 /nfs/dbraw/zinc/20/21/73/1336202173.db2.gz BXTRWSWTROPBSY-UHFFFAOYSA-N 1 0 342.371 2.214 20 5 EEBDRO O=[N+]([O-])c1c(N2CCCN(c3cc[nH+]cc3)CC2)nc2sccn21 ZINC001335073059 1336334089 /nfs/dbraw/zinc/33/40/89/1336334089.db2.gz IVDAEGAPLYZBCB-UHFFFAOYSA-N 1 0 344.400 2.416 20 5 EEBDRO C[C@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001335444703 1336376354 /nfs/dbraw/zinc/37/63/54/1336376354.db2.gz NYQKUHSUXVUECW-IRXDYDNUSA-N 1 0 334.347 2.265 20 5 EEBDRO CC[NH+](CC)CC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC001338302241 1336836243 /nfs/dbraw/zinc/83/62/43/1336836243.db2.gz RGHZKHGUZRGGTA-LBPRGKRZSA-N 1 0 349.435 2.318 20 5 EEBDRO Cc1c(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)cccc1[N+](=O)[O-] ZINC001339193921 1336973190 /nfs/dbraw/zinc/97/31/90/1336973190.db2.gz OSMPEVHNIDUGGF-UHFFFAOYSA-N 1 0 337.339 2.414 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001341765281 1337297997 /nfs/dbraw/zinc/29/79/97/1337297997.db2.gz ILDUJJPNDJFOAT-JFIYKMOQSA-N 1 0 329.400 2.300 20 5 EEBDRO CN(CC(=O)OCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC001350062222 1337671389 /nfs/dbraw/zinc/67/13/89/1337671389.db2.gz FRUQUEHJPVKQEY-LBPRGKRZSA-N 1 0 328.365 2.214 20 5 EEBDRO Cc1cc(N(C)CCNC(=O)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001100144972 1338067906 /nfs/dbraw/zinc/06/79/06/1338067906.db2.gz URVNNEQKDALLER-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001575669875 1343851362 /nfs/dbraw/zinc/85/13/62/1343851362.db2.gz DPYCVMDDGZYUJS-CYBMUJFWSA-N 1 0 344.419 2.307 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC001575799760 1343888337 /nfs/dbraw/zinc/88/83/37/1343888337.db2.gz YUKFJAIDNBJYKW-KGLIPLIRSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@@H]([NH3+])c1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001576165217 1343973839 /nfs/dbraw/zinc/97/38/39/1343973839.db2.gz QAOTUSRXQZIOFI-GFCCVEGCSA-N 1 0 329.356 2.423 20 5 EEBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001576885199 1344071312 /nfs/dbraw/zinc/07/13/12/1344071312.db2.gz CJHCXOILCPMAND-LDYMZIIASA-N 1 0 343.177 2.399 20 5 EEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC[NH2+]CC1 ZINC001578383747 1344271147 /nfs/dbraw/zinc/27/11/47/1344271147.db2.gz IIUIQRMPLYOHOZ-UHFFFAOYSA-N 1 0 329.360 2.359 20 5 EEBDRO Nc1c(NC(=O)NC[C@@H]2CCC[NH2+]CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001580432485 1344519584 /nfs/dbraw/zinc/51/95/84/1344519584.db2.gz SAYLJVMRMLRUCZ-SECBINFHSA-N 1 0 341.799 2.342 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001589715497 1349023028 /nfs/dbraw/zinc/02/30/28/1349023028.db2.gz WCJLCDZBXKTKRF-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC001590259680 1349234778 /nfs/dbraw/zinc/23/47/78/1349234778.db2.gz LWXMNDAFVBQVST-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1-c1nn[nH]n1 ZINC001593465215 1349802308 /nfs/dbraw/zinc/80/23/08/1349802308.db2.gz JVAKLANXBLJERE-TZMCWYRMSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001593475053 1349809286 /nfs/dbraw/zinc/80/92/86/1349809286.db2.gz GIRWLTXMJHINHY-UHFFFAOYSA-N 1 0 338.371 2.150 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603078533 1350635619 /nfs/dbraw/zinc/63/56/19/1350635619.db2.gz ZNGYEDDDPMZCOA-NSHDSACASA-N 1 0 331.380 2.060 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[NH+]1CCCCCC1 ZINC001607084403 1351411129 /nfs/dbraw/zinc/41/11/29/1351411129.db2.gz DAVQOLMDDHQYKO-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591418 1368042189 /nfs/dbraw/zinc/04/21/89/1368042189.db2.gz HEXNMWUBJZOCOR-NSHDSACASA-N 1 0 328.372 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000852713559 1369296294 /nfs/dbraw/zinc/29/62/94/1369296294.db2.gz KHDYJCFBPXCBJZ-HZPDHXFCSA-N 1 0 338.310 2.230 20 5 EEBDRO CN(CCC1CCOCC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631735 1369590751 /nfs/dbraw/zinc/59/07/51/1369590751.db2.gz MLPSYHPNVIBDAC-UHFFFAOYSA-N 1 0 335.360 2.209 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000900400851 1369923472 /nfs/dbraw/zinc/92/34/72/1369923472.db2.gz DAXNTYLFWUXEDE-KRWDZBQOSA-N 1 0 333.388 2.412 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112353065 1371408674 /nfs/dbraw/zinc/40/86/74/1371408674.db2.gz PKIIKQPUWIBALJ-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000831533877 1372378751 /nfs/dbraw/zinc/37/87/51/1372378751.db2.gz LEVODIGUNMABKJ-XHDPSFHLSA-N 1 0 339.367 2.419 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001100546560 1373077003 /nfs/dbraw/zinc/07/70/03/1373077003.db2.gz DDJNDYFCLWZOJX-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000849429933 1373258021 /nfs/dbraw/zinc/25/80/21/1373258021.db2.gz XQHZJFOYQOFIAM-JTQLQIEISA-N 1 0 349.840 2.175 20 5 EEBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000165885869 1405717340 /nfs/dbraw/zinc/71/73/40/1405717340.db2.gz UQEYPJLGJKZDRG-NSHDSACASA-N 1 0 342.193 2.181 20 5 EEBDRO Cc1cc(-n2ccc(C[NH3+])cc2=N)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167691986 761611381 /nfs/dbraw/zinc/61/13/81/761611381.db2.gz BWPSBIXRIGCPKB-UHFFFAOYSA-N 1 0 336.355 2.089 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167698270 761858560 /nfs/dbraw/zinc/85/85/60/761858560.db2.gz ROFGOXUSVRUQST-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001105409039 782919464 /nfs/dbraw/zinc/91/94/64/782919464.db2.gz RPUIVVWMPYKSNF-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846742284 790527452 /nfs/dbraw/zinc/52/74/52/790527452.db2.gz HSDGVXVDNZPSMB-WPRPVWTQSA-N 1 0 329.759 2.268 20 5 EEBDRO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091395455 790540398 /nfs/dbraw/zinc/54/03/98/790540398.db2.gz NLWNEOMZKOHNMZ-OTVXOJSOSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(COc1ccsc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171258316 790767626 /nfs/dbraw/zinc/76/76/26/790767626.db2.gz WRYXSFFTBXTIPW-UHFFFAOYSA-N 1 0 349.412 2.331 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)COc1cccc(Br)c1[N+](=O)[O-] ZINC000905981770 783616076 /nfs/dbraw/zinc/61/60/76/783616076.db2.gz ZAMYCHHSLXHMII-JTQLQIEISA-N 1 0 347.209 2.437 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000817483837 784792312 /nfs/dbraw/zinc/79/23/12/784792312.db2.gz JLAYXACRHCRWDB-UHFFFAOYSA-N 1 0 327.331 2.476 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000907745257 784822386 /nfs/dbraw/zinc/82/23/86/784822386.db2.gz XETNWSBWZXAMBB-NSHDSACASA-N 1 0 340.811 2.387 20 5 EEBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000817993429 785143053 /nfs/dbraw/zinc/14/30/53/785143053.db2.gz GYCMVNWFMFZQHU-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818519570 785269125 /nfs/dbraw/zinc/26/91/25/785269125.db2.gz YRPQNTKXBMQCJF-HNNXBMFYSA-N 1 0 338.364 2.305 20 5 EEBDRO [NH3+]Cc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000818473364 785278858 /nfs/dbraw/zinc/27/88/58/785278858.db2.gz GDPUMYYAJNJWHM-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO C[S@](=O)Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819311172 785490229 /nfs/dbraw/zinc/49/02/29/785490229.db2.gz LICWEZZEGNDIHJ-XDHUDOTRSA-N 1 0 348.424 2.297 20 5 EEBDRO O=C(CSCC1CC[NH2+]CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000830463557 786620614 /nfs/dbraw/zinc/62/06/14/786620614.db2.gz VBRMYNATJQOHCF-UHFFFAOYSA-N 1 0 327.381 2.405 20 5 EEBDRO Cc1nc(NC/C=C/CNC(=O)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107269175 786667701 /nfs/dbraw/zinc/66/77/01/786667701.db2.gz KCOOPLZMDYTHRH-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO CC1CC[NH+](CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000911475586 787468737 /nfs/dbraw/zinc/46/87/37/787468737.db2.gz FUIUEYSJCUGRSL-UHFFFAOYSA-N 1 0 327.331 2.221 20 5 EEBDRO O=C(NC/C=C\CNc1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001107592402 787799625 /nfs/dbraw/zinc/79/96/25/787799625.db2.gz DILPUHRVEPZJGD-ARJAWSKDSA-N 1 0 344.415 2.308 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@](C)(O)c1ccccc1 ZINC000823606205 787829394 /nfs/dbraw/zinc/82/93/94/787829394.db2.gz QZIUSXDUAACVCW-ZWKOTPCHSA-N 1 0 330.384 2.468 20 5 EEBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000912815635 788391562 /nfs/dbraw/zinc/39/15/62/788391562.db2.gz OFTVUJMKAPBIKF-SWLSCSKDSA-N 1 0 334.420 2.369 20 5 EEBDRO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000825046485 788414211 /nfs/dbraw/zinc/41/42/11/788414211.db2.gz URPXOXJCMOKFFV-DVOMOZLQSA-N 1 0 335.404 2.007 20 5 EEBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])c4nncn4c3)c2C1 ZINC001171101159 788832445 /nfs/dbraw/zinc/83/24/45/788832445.db2.gz XMPLMHIHDFXUPG-NSHDSACASA-N 1 0 348.366 2.397 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000923309372 789366532 /nfs/dbraw/zinc/36/65/32/789366532.db2.gz KPDKESQVWTYPPO-WCQYABFASA-N 1 0 328.372 2.385 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@@H](C)n1ccnc1 ZINC000845276325 789703111 /nfs/dbraw/zinc/70/31/11/789703111.db2.gz ACVGLVCAFNVMOD-GFCCVEGCSA-N 1 0 346.343 2.233 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000061238877 791175879 /nfs/dbraw/zinc/17/58/79/791175879.db2.gz PIHZSKGAMYAIDE-UHFFFAOYSA-N 1 0 346.431 2.411 20 5 EEBDRO COc1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001148880779 792785810 /nfs/dbraw/zinc/78/58/10/792785810.db2.gz ADCVFJOFKGFSNL-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO CN(C)c1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001148949275 792805074 /nfs/dbraw/zinc/80/50/74/792805074.db2.gz YRTFMAUHYFCUPE-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO CN(C)c1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001148966893 792832149 /nfs/dbraw/zinc/83/21/49/792832149.db2.gz OOOQPCDZMAXFCY-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089959017 795604544 /nfs/dbraw/zinc/60/45/44/795604544.db2.gz SZXAYERXKUSEDG-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000921779641 795911986 /nfs/dbraw/zinc/91/19/86/795911986.db2.gz KFCVXCBGLRUHAE-UHFFFAOYSA-N 1 0 330.388 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CC[NH+]2CCCCC2)n1 ZINC001094455556 796264939 /nfs/dbraw/zinc/26/49/39/796264939.db2.gz VUXXWQDBVRUZGQ-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094518909 796353300 /nfs/dbraw/zinc/35/33/00/796353300.db2.gz YJFRCRFGHKLEOR-UHFFFAOYSA-N 1 0 343.387 2.288 20 5 EEBDRO C[NH+](C)C1(CC(=O)NCCCNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001094689248 796533478 /nfs/dbraw/zinc/53/34/78/796533478.db2.gz MHIVGZNRQSSFCS-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(Cl)no1 ZINC001171787495 796746574 /nfs/dbraw/zinc/74/65/74/796746574.db2.gz QDPGBZBUJAIXCP-UHFFFAOYSA-N 1 0 344.780 2.207 20 5 EEBDRO CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913546 797172307 /nfs/dbraw/zinc/17/23/07/797172307.db2.gz RORGHEZIZJXKJO-FUHWJXTLSA-N 1 0 331.416 2.395 20 5 EEBDRO C[C@@]1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H](O)C1 ZINC001173011247 797195791 /nfs/dbraw/zinc/19/57/91/797195791.db2.gz WGALBKIBSQFWEC-YGUOUDRMSA-N 1 0 341.358 2.345 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001173212267 797314926 /nfs/dbraw/zinc/31/49/26/797314926.db2.gz YSIUDYLGDLWBFT-BLLLJJGKSA-N 1 0 330.388 2.163 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001095228713 797552820 /nfs/dbraw/zinc/55/28/20/797552820.db2.gz SBXWVIDGNOYBOK-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095229640 797560661 /nfs/dbraw/zinc/56/06/61/797560661.db2.gz RLAJVVANRSAKLF-UHFFFAOYSA-N 1 0 334.420 2.338 20 5 EEBDRO Cn1c2ccccc2c(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000823688767 798758255 /nfs/dbraw/zinc/75/82/55/798758255.db2.gz IQKKJKBBYVFMHO-ZDUSSCGKSA-N 1 0 344.415 2.225 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177211583 798794639 /nfs/dbraw/zinc/79/46/39/798794639.db2.gz GSUQHNZVWLFTJA-XYJQFASLSA-N 1 0 343.427 2.483 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964743 803552089 /nfs/dbraw/zinc/55/20/89/803552089.db2.gz VMXSNNWKDUDMRC-SBJFKYEJSA-N 1 0 339.436 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001305 803566275 /nfs/dbraw/zinc/56/62/75/803566275.db2.gz FMVBUUBUZWGLMH-WFGGJUAMSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)NC12CC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001169001277 803566373 /nfs/dbraw/zinc/56/63/73/803566373.db2.gz FEKGESZCTDQVGX-YNQUZJHLSA-N 1 0 325.409 2.221 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001169005868 803567976 /nfs/dbraw/zinc/56/79/76/803567976.db2.gz VESYTKLXCKMJFY-QGPMSJSTSA-N 1 0 345.443 2.258 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013966 803571187 /nfs/dbraw/zinc/57/11/87/803571187.db2.gz WZQIQYRGXPDCHN-RFQIPJPRSA-N 1 0 325.409 2.125 20 5 EEBDRO C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033629 803578546 /nfs/dbraw/zinc/57/85/46/803578546.db2.gz CQHYEWIASDLEQW-MELADBBJSA-N 1 0 327.425 2.373 20 5 EEBDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018180 803586432 /nfs/dbraw/zinc/58/64/32/803586432.db2.gz CBTJUARQTABEJR-ITQYTPKQSA-N 1 0 343.427 2.038 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025910 803591393 /nfs/dbraw/zinc/59/13/93/803591393.db2.gz JVHKDBWEUXCHQJ-IAGOWNOFSA-N 1 0 333.432 2.128 20 5 EEBDRO Cc1cccnc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156349957 803900684 /nfs/dbraw/zinc/90/06/84/803900684.db2.gz VQEVQGDQHRIWKR-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001169717530 803990005 /nfs/dbraw/zinc/99/00/05/803990005.db2.gz BAMLSEWOTFMSFF-UHFFFAOYSA-N 1 0 347.213 2.133 20 5 EEBDRO Cc1cc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000787577576 807157706 /nfs/dbraw/zinc/15/77/06/807157706.db2.gz BXMIYCQGQQULAR-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170305881 809876969 /nfs/dbraw/zinc/87/69/69/809876969.db2.gz RCXWXDRUIFXMMA-TZMCWYRMSA-N 1 0 335.404 2.133 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170306577 809900404 /nfs/dbraw/zinc/90/04/04/809900404.db2.gz XSSDMGRWYFQBPZ-HIFRSBDPSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170353154 809902200 /nfs/dbraw/zinc/90/22/00/809902200.db2.gz WUFVKPXKHDYMKQ-DOMZBBRYSA-N 1 0 335.404 2.087 20 5 EEBDRO CC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170355847 809902838 /nfs/dbraw/zinc/90/28/38/809902838.db2.gz REBFVCGGMJMWRE-BMFZPTHFSA-N 1 0 333.432 2.418 20 5 EEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804414302 810847450 /nfs/dbraw/zinc/84/74/50/810847450.db2.gz KKAGXWTUVNNTKH-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO C[NH+]1CCC(N2CC[C@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804450279 810875964 /nfs/dbraw/zinc/87/59/64/810875964.db2.gz JJAHBXMVMAMGHX-LBPRGKRZSA-N 1 0 349.391 2.083 20 5 EEBDRO CCc1cnccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130608060 811850821 /nfs/dbraw/zinc/85/08/21/811850821.db2.gz QYPKDCAPFCJEIJ-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001130861091 812122887 /nfs/dbraw/zinc/12/28/87/812122887.db2.gz ZXOGPXJDDNGYIS-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO C[NH+](C)CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000807268923 812165965 /nfs/dbraw/zinc/16/59/65/812165965.db2.gz VYOWMSUNVNEBGH-UHFFFAOYSA-N 1 0 327.331 2.239 20 5 EEBDRO COCc1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001130944640 812225306 /nfs/dbraw/zinc/22/53/06/812225306.db2.gz VAWVASXPSMSWMB-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807987778 812403944 /nfs/dbraw/zinc/40/39/44/812403944.db2.gz NNOGHVPYDDHARO-LLVKDONJSA-N 1 0 349.416 2.156 20 5 EEBDRO C[C@@H](C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001589066504 955750616 /nfs/dbraw/zinc/75/06/16/955750616.db2.gz INDYVXASUOFMEQ-AWEZNQCLSA-N 1 0 349.431 2.160 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001520820132 1119195950 /nfs/dbraw/zinc/19/59/50/1119195950.db2.gz FQDYZETZRWLJMB-ZDUSSCGKSA-N 1 0 338.456 2.192 20 5 EEBDRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000173937476 299192123 /nfs/dbraw/zinc/19/21/23/299192123.db2.gz SXEALDTVQONPRF-LBPRGKRZSA-N 1 0 346.391 2.236 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357344939 283445884 /nfs/dbraw/zinc/44/58/84/283445884.db2.gz MUTVZWNJZFVPBE-CYBMUJFWSA-N 1 0 343.387 2.124 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000415103091 238820171 /nfs/dbraw/zinc/82/01/71/238820171.db2.gz FMQHXHNKNQXAIQ-OAHLLOKOSA-N 1 0 348.428 2.268 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000072022376 201172775 /nfs/dbraw/zinc/17/27/75/201172775.db2.gz APEUMULFSKNPCV-RBSFLKMASA-N 1 0 349.431 2.456 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000261935677 201200027 /nfs/dbraw/zinc/20/00/27/201200027.db2.gz TYNDDQWWGYSINP-VIFPVBQESA-N 1 0 332.385 2.428 20 5 EEBDRO CN(CC(=O)NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079325446 201205161 /nfs/dbraw/zinc/20/51/61/201205161.db2.gz CGGUPLIRFVZEQG-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO Nc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000267193068 201230038 /nfs/dbraw/zinc/23/00/38/201230038.db2.gz LMDDBUVGJWHXMW-AWEZNQCLSA-N 1 0 340.383 2.181 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000286511238 201335333 /nfs/dbraw/zinc/33/53/33/201335333.db2.gz WRFAJMSYOICYPX-UHFFFAOYSA-N 1 0 344.371 2.320 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](CN)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420354360 239774660 /nfs/dbraw/zinc/77/46/60/239774660.db2.gz BFFNPZMSILPMOW-HNNXBMFYSA-N 1 0 337.420 2.479 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422726073 240196217 /nfs/dbraw/zinc/19/62/17/240196217.db2.gz ZFDGHBBVDCMFSQ-GFCCVEGCSA-N 1 0 328.372 2.215 20 5 EEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000422758354 240212655 /nfs/dbraw/zinc/21/26/55/240212655.db2.gz IWNZGWUFYLZJDG-NEPJUHHUSA-N 1 0 328.372 2.261 20 5 EEBDRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423722623 240584693 /nfs/dbraw/zinc/58/46/93/240584693.db2.gz KGWPYOWZBBRXOD-CYBMUJFWSA-N 1 0 335.429 2.181 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000195625266 241033258 /nfs/dbraw/zinc/03/32/58/241033258.db2.gz APEUMULFSKNPCV-KFWWJZLASA-N 1 0 349.431 2.456 20 5 EEBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589603 242293005 /nfs/dbraw/zinc/29/30/05/242293005.db2.gz YNHPNEDQVAUFQL-CHWSQXEVSA-N 1 0 337.424 2.169 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000449403270 242532471 /nfs/dbraw/zinc/53/24/71/242532471.db2.gz PGJJKMBZWLANNB-UHFFFAOYSA-N 1 0 345.355 2.140 20 5 EEBDRO C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611335 243176801 /nfs/dbraw/zinc/17/68/01/243176801.db2.gz PBEVJEMIQSUQRU-YMRXKLBXSA-N 1 0 347.415 2.309 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451891804 243293823 /nfs/dbraw/zinc/29/38/23/243293823.db2.gz ORLVFVIJPLVUBN-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069849228 203058308 /nfs/dbraw/zinc/05/83/08/203058308.db2.gz NAYPNWZTBXPWOT-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455673582 244056511 /nfs/dbraw/zinc/05/65/11/244056511.db2.gz YIHAQVPZUSVFIR-GFCCVEGCSA-N 1 0 346.391 2.236 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000108367901 204259329 /nfs/dbraw/zinc/25/93/29/204259329.db2.gz PIOQAPROUBZAHT-UHFFFAOYSA-N 1 0 334.420 2.304 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000113515054 204449886 /nfs/dbraw/zinc/44/98/86/204449886.db2.gz RYPOFXYDMPCCIW-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112204259 284316061 /nfs/dbraw/zinc/31/60/61/284316061.db2.gz PZJIHHPYRKOKAO-AWEZNQCLSA-N 1 0 348.403 2.171 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000245521094 205139052 /nfs/dbraw/zinc/13/90/52/205139052.db2.gz KLFBWCJFGXGUAE-WCQYABFASA-N 1 0 349.387 2.126 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000128282101 205141499 /nfs/dbraw/zinc/14/14/99/205141499.db2.gz CMJXKAMMDBUWBE-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245770431 205156769 /nfs/dbraw/zinc/15/67/69/205156769.db2.gz MHSRILMXVOGGOZ-KSYCFECVSA-N 1 0 333.388 2.469 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245797453 205158215 /nfs/dbraw/zinc/15/82/15/205158215.db2.gz ZBCZBYIZQWNGRS-BCUIYNNISA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247409327 205286601 /nfs/dbraw/zinc/28/66/01/205286601.db2.gz PZPXTAXWRJZVAZ-UKRRQHHQSA-N 1 0 332.404 2.010 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000155643522 206024017 /nfs/dbraw/zinc/02/40/17/206024017.db2.gz LIXRYMHJLSEIGV-HNNXBMFYSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000156918091 206106680 /nfs/dbraw/zinc/10/66/80/206106680.db2.gz VCYYKCWWXQPLFO-ZDUSSCGKSA-N 1 0 333.392 2.330 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000492072063 246288512 /nfs/dbraw/zinc/28/85/12/246288512.db2.gz HZPPUFXCSKGLSX-RIEIZIRISA-N 1 0 333.363 2.489 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000492292758 246385783 /nfs/dbraw/zinc/38/57/83/246385783.db2.gz YVPQKMNZQZPADL-XDHNQJSPSA-N 1 0 335.429 2.112 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907985 247032472 /nfs/dbraw/zinc/03/24/72/247032472.db2.gz XZKYARMFTXLIDE-YPMHNXCESA-N 1 0 331.376 2.105 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264918099 247043201 /nfs/dbraw/zinc/04/32/01/247043201.db2.gz PBDSTPYZOPFDHP-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000265094664 247198940 /nfs/dbraw/zinc/19/89/40/247198940.db2.gz VEWZUXVANUAQLX-LBPRGKRZSA-N 1 0 337.424 2.265 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265098741 247201699 /nfs/dbraw/zinc/20/16/99/247201699.db2.gz DDGSIVRKAFYVTQ-CYBMUJFWSA-N 1 0 332.404 2.092 20 5 EEBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160911435 206318408 /nfs/dbraw/zinc/31/84/08/206318408.db2.gz HXMZXPZNSAQHGX-OLZOCXBDSA-N 1 0 333.388 2.092 20 5 EEBDRO C[N@H+](CCCCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174737880 207053182 /nfs/dbraw/zinc/05/31/82/207053182.db2.gz XMIXCXLZKMSERV-KRWDZBQOSA-N 1 0 332.404 2.107 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000176201542 207200764 /nfs/dbraw/zinc/20/07/64/207200764.db2.gz XLGVFKMFCLVHHU-UHFFFAOYSA-N 1 0 347.394 2.138 20 5 EEBDRO Nc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177068454 207289391 /nfs/dbraw/zinc/28/93/91/207289391.db2.gz CVYBMYFRHFVCFM-UHFFFAOYSA-N 1 0 332.404 2.314 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177475572 207342135 /nfs/dbraw/zinc/34/21/35/207342135.db2.gz PBVXOYWMRBDWTL-UONOGXRCSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429567830 296401079 /nfs/dbraw/zinc/40/10/79/296401079.db2.gz HGEOHVOGCPETTE-DOMZBBRYSA-N 1 0 346.431 2.298 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267166806 256033995 /nfs/dbraw/zinc/03/39/95/256033995.db2.gz BDTRBWLNVUPRPT-KRWDZBQOSA-N 1 0 342.399 2.129 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000270408851 256132350 /nfs/dbraw/zinc/13/23/50/256132350.db2.gz DLYXGTJSRPOBEL-UKRRQHHQSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270509351 256142658 /nfs/dbraw/zinc/14/26/58/256142658.db2.gz WHHFSYXIIDXUJW-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO O=[N+]([O-])c1cccnc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273233435 256278725 /nfs/dbraw/zinc/27/87/25/256278725.db2.gz SAGKNBCRDZDLOL-OAHLLOKOSA-N 1 0 328.372 2.169 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106376 256354466 /nfs/dbraw/zinc/35/44/66/256354466.db2.gz VFXVNPBZHAEXAM-IJLUTSLNSA-N 1 0 337.376 2.099 20 5 EEBDRO CCCN(CC[NH+](CC)CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274130701 256356232 /nfs/dbraw/zinc/35/62/32/256356232.db2.gz IJZRGRQQTCFMIH-UHFFFAOYSA-N 1 0 336.436 2.248 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000339036107 296508695 /nfs/dbraw/zinc/50/86/95/296508695.db2.gz HZCHVBANTBZEIS-UHFFFAOYSA-N 1 0 341.433 2.139 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000359494072 153398691 /nfs/dbraw/zinc/39/86/91/153398691.db2.gz FHWNYJIAADLLOP-UHFFFAOYSA-N 1 0 349.416 2.084 20 5 EEBDRO CC(C)OCC[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000081637679 159156439 /nfs/dbraw/zinc/15/64/39/159156439.db2.gz FVJPGSPBUJYKCA-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO O=C1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181169 159192999 /nfs/dbraw/zinc/19/29/99/159192999.db2.gz WPQOUXLCEHVVFB-ZBFHGGJFSA-N 1 0 329.400 2.269 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000108371623 159340463 /nfs/dbraw/zinc/34/04/63/159340463.db2.gz MEFLBDOSYOSKNV-UHFFFAOYSA-N 1 0 334.420 2.304 20 5 EEBDRO CC1(C)CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006858 159889979 /nfs/dbraw/zinc/88/99/79/159889979.db2.gz XRTXIXUTRZNSSG-AWEZNQCLSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185594504 160041878 /nfs/dbraw/zinc/04/18/78/160041878.db2.gz TYVQHZNOWUIURI-ABAIWWIYSA-N 1 0 341.367 2.348 20 5 EEBDRO COc1ccc(OCC[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245556134 160241598 /nfs/dbraw/zinc/24/15/98/160241598.db2.gz UFKCVBIMXPIRJB-XJKSGUPXSA-N 1 0 338.404 2.465 20 5 EEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829093 160253159 /nfs/dbraw/zinc/25/31/59/160253159.db2.gz GBDUSUFFBYCNEE-RHSMWYFYSA-N 1 0 344.415 2.316 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246442542 160278849 /nfs/dbraw/zinc/27/88/49/160278849.db2.gz BLLQKWVXHCBWGO-IOASZLSFSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248450355 160346677 /nfs/dbraw/zinc/34/66/77/160346677.db2.gz IPUQKLQUPDVAOP-DZGCQCFKSA-N 1 0 331.372 2.423 20 5 EEBDRO COc1ccncc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000342409941 161062946 /nfs/dbraw/zinc/06/29/46/161062946.db2.gz BBEFGTRAXKGRBH-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EEBDRO CC[N@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])CCC(F)(F)F ZINC000343205917 161112836 /nfs/dbraw/zinc/11/28/36/161112836.db2.gz MTYJWPWQAIQRMA-UHFFFAOYSA-N 1 0 348.325 2.380 20 5 EEBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000343247948 161116433 /nfs/dbraw/zinc/11/64/33/161116433.db2.gz STPHQOUNWKWHGR-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343833614 161172368 /nfs/dbraw/zinc/17/23/68/161172368.db2.gz RNPPHECEEWDVOS-CABCVRRESA-N 1 0 338.404 2.129 20 5 EEBDRO COc1cc(CN(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000346642361 161388010 /nfs/dbraw/zinc/38/80/10/161388010.db2.gz CCIZIMZPZIUSBT-CYBMUJFWSA-N 1 0 325.409 2.417 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1csc([N+](=O)[O-])c1 ZINC000355226938 163116309 /nfs/dbraw/zinc/11/63/09/163116309.db2.gz ULHNQFPVLZEGCI-HZSPNIEDSA-N 1 0 325.434 2.340 20 5 EEBDRO Cc1ccnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355723622 163281566 /nfs/dbraw/zinc/28/15/66/163281566.db2.gz UAQNSQJEUNYTIS-GOSISDBHSA-N 1 0 342.399 2.347 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000358424137 163905129 /nfs/dbraw/zinc/90/51/29/163905129.db2.gz OXZMYNPMXLRSFG-HNNXBMFYSA-N 1 0 335.379 2.363 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359215686 164085817 /nfs/dbraw/zinc/08/58/17/164085817.db2.gz NHCNJKBFDRMLSD-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000360313631 164282543 /nfs/dbraw/zinc/28/25/43/164282543.db2.gz CMUKGCWMVCOZRY-GFCCVEGCSA-N 1 0 335.404 2.340 20 5 EEBDRO Cc1c(CC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000360619582 164353012 /nfs/dbraw/zinc/35/30/12/164353012.db2.gz GWYYUTZLYMKKQF-INIZCTEOSA-N 1 0 331.416 2.436 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364063022 165013299 /nfs/dbraw/zinc/01/32/99/165013299.db2.gz HMIBVPUPRPSDTN-AWEZNQCLSA-N 1 0 333.388 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000374933974 167071575 /nfs/dbraw/zinc/07/15/75/167071575.db2.gz YQRNZRRBCYRQHT-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000376686422 167375006 /nfs/dbraw/zinc/37/50/06/167375006.db2.gz ICIVZTBHGPPFKY-GOEBONIOSA-N 1 0 346.431 2.406 20 5 EEBDRO C[NH+](C)CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000157811409 292573276 /nfs/dbraw/zinc/57/32/76/292573276.db2.gz PQLWQTQNCLRTTD-UHFFFAOYSA-N 1 0 325.390 2.188 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CC1)CCC2 ZINC000278338199 269224167 /nfs/dbraw/zinc/22/41/67/269224167.db2.gz CGQGRRBTHBWHLC-KRWDZBQOSA-N 1 0 331.416 2.427 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000278652117 269239326 /nfs/dbraw/zinc/23/93/26/269239326.db2.gz SRJVKQKKTFDZTQ-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1c(CC(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000278968805 269254690 /nfs/dbraw/zinc/25/46/90/269254690.db2.gz BLFQXNKFMWDUMZ-UHFFFAOYSA-N 1 0 331.416 2.436 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184105 269336017 /nfs/dbraw/zinc/33/60/17/269336017.db2.gz AJSOKZCKOUBRIU-AEGPPILISA-N 1 0 338.404 2.289 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000193333259 274058262 /nfs/dbraw/zinc/05/82/62/274058262.db2.gz QLYPJULKVVVZEP-CQSZACIVSA-N 1 0 349.435 2.180 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420255073 274140451 /nfs/dbraw/zinc/14/04/51/274140451.db2.gz HBGOYEKVPSGMAJ-NEPJUHHUSA-N 1 0 328.372 2.197 20 5 EEBDRO COc1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(F)cc1[N+](=O)[O-] ZINC000271608199 274144955 /nfs/dbraw/zinc/14/49/55/274144955.db2.gz JOKYADRICMCGNK-OCCSQVGLSA-N 1 0 329.397 2.224 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784919 274151517 /nfs/dbraw/zinc/15/15/17/274151517.db2.gz MGSQAWVSYBOHIM-JOYOIKCWSA-N 1 0 342.758 2.296 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000130485252 274246233 /nfs/dbraw/zinc/24/62/33/274246233.db2.gz LZFWJOGPHVBHDM-MNOVXSKESA-N 1 0 325.340 2.077 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277404452 274290697 /nfs/dbraw/zinc/29/06/97/274290697.db2.gz BNYBNUGARWYVBA-HNNXBMFYSA-N 1 0 333.388 2.107 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000277597814 274318303 /nfs/dbraw/zinc/31/83/03/274318303.db2.gz OGNLHGOXTYVCBA-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566437 274374424 /nfs/dbraw/zinc/37/44/24/274374424.db2.gz CYYMWNXMKAIBPA-PXAZEXFGSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371349669 274594425 /nfs/dbraw/zinc/59/44/25/274594425.db2.gz LCLUPJQNMGKYAP-XJKSGUPXSA-N 1 0 336.411 2.196 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+](C)CCOC ZINC000289603209 275131692 /nfs/dbraw/zinc/13/16/92/275131692.db2.gz ABRPZDFABHWFMK-UHFFFAOYSA-N 1 0 338.408 2.247 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000292168737 275387443 /nfs/dbraw/zinc/38/74/43/275387443.db2.gz JTYUFKMGWYXSKW-GOSISDBHSA-N 1 0 340.383 2.311 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000151858616 275620065 /nfs/dbraw/zinc/62/00/65/275620065.db2.gz FOVVCUBVQRCNDH-UHFFFAOYSA-N 1 0 325.434 2.486 20 5 EEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344980744 277153798 /nfs/dbraw/zinc/15/37/98/277153798.db2.gz WLYGBNMQVPYTOJ-GJZGRUSLSA-N 1 0 325.796 2.153 20 5 EEBDRO CNc1nc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454247929 277303958 /nfs/dbraw/zinc/30/39/58/277303958.db2.gz UXVKEHNFLBZSOL-OAHLLOKOSA-N 1 0 343.387 2.064 20 5 EEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336849957 277562242 /nfs/dbraw/zinc/56/22/42/277562242.db2.gz UVYBAVVPZAYEBQ-VIFPVBQESA-N 1 0 335.813 2.044 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000420468527 278744413 /nfs/dbraw/zinc/74/44/13/278744413.db2.gz OFGNBCMOJNFCQX-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237663718 280656289 /nfs/dbraw/zinc/65/62/89/280656289.db2.gz CPBWODASBAMSBR-TZMCWYRMSA-N 1 0 341.433 2.007 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(Cc3cccc(F)c3)CCOCC2)n1 ZINC000292995129 293097620 /nfs/dbraw/zinc/09/76/20/293097620.db2.gz MOVDMXMSIQCNHZ-UHFFFAOYSA-N 1 0 348.378 2.312 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000293012502 293101751 /nfs/dbraw/zinc/10/17/51/293101751.db2.gz IKIMLBJMHLFHBH-NSHDSACASA-N 1 0 339.367 2.299 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293570667 293242239 /nfs/dbraw/zinc/24/22/39/293242239.db2.gz XZTJWTRJACVJEG-CABCVRRESA-N 1 0 344.415 2.019 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294079464 293365590 /nfs/dbraw/zinc/36/55/90/293365590.db2.gz LFMTYISNZJBNGE-PRHODGIISA-N 1 0 331.294 2.228 20 5 EEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000294466170 293460881 /nfs/dbraw/zinc/46/08/81/293460881.db2.gz NACSFLJYUIOYGO-NSHDSACASA-N 1 0 339.367 2.204 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294770434 293539310 /nfs/dbraw/zinc/53/93/10/293539310.db2.gz NEOFJUKUVCLLLF-CYBMUJFWSA-N 1 0 342.399 2.187 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(F)c2Br)c1 ZINC000295342501 293690028 /nfs/dbraw/zinc/69/00/28/293690028.db2.gz CWQGXDILJGKHOJ-UHFFFAOYSA-N 1 0 343.156 2.483 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000297985140 294389486 /nfs/dbraw/zinc/38/94/86/294389486.db2.gz WNNHZKFSSUVMBR-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000160946289 311360071 /nfs/dbraw/zinc/36/00/71/311360071.db2.gz FPVHUKILHVQQKY-CQSZACIVSA-N 1 0 345.403 2.141 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000331302729 311836138 /nfs/dbraw/zinc/83/61/38/311836138.db2.gz XNQKZRIFIOUSCR-GFCCVEGCSA-N 1 0 343.449 2.158 20 5 EEBDRO COc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331524950 311865888 /nfs/dbraw/zinc/86/58/88/311865888.db2.gz ZOMFAASITHFSFM-CYBMUJFWSA-N 1 0 333.388 2.161 20 5 EEBDRO COc1cccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000332523172 312019403 /nfs/dbraw/zinc/01/94/03/312019403.db2.gz ATZYVCJMPXTYAN-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338785964 312250236 /nfs/dbraw/zinc/25/02/36/312250236.db2.gz CGOVLCDJGRDANZ-VXGBXAGGSA-N 1 0 332.404 2.016 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000413067264 312780707 /nfs/dbraw/zinc/78/07/07/312780707.db2.gz IKTRHLANYFFATH-UHFFFAOYSA-N 1 0 348.325 2.267 20 5 EEBDRO [NH3+]C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000414940602 313112913 /nfs/dbraw/zinc/11/29/13/313112913.db2.gz BVZRXUOSNOLSQE-UHFFFAOYSA-N 1 0 330.291 2.199 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000415579033 313147835 /nfs/dbraw/zinc/14/78/35/313147835.db2.gz JOPFIOFBBYWBNP-INIZCTEOSA-N 1 0 336.392 2.102 20 5 EEBDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025492 314029556 /nfs/dbraw/zinc/02/95/56/314029556.db2.gz QXZLJVCZDCRGRN-STQMWFEESA-N 1 0 338.408 2.091 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440087538 315111215 /nfs/dbraw/zinc/11/12/15/315111215.db2.gz CGAXQJNMJWWXSI-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000444162877 315277772 /nfs/dbraw/zinc/27/77/72/315277772.db2.gz CBCHGQGTAPIACW-UHFFFAOYSA-N 1 0 349.840 2.257 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000524312527 317013787 /nfs/dbraw/zinc/01/37/87/317013787.db2.gz XIEWPTYVUWMPIN-ZDUSSCGKSA-N 1 0 335.404 2.137 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000548090597 318353682 /nfs/dbraw/zinc/35/36/82/318353682.db2.gz DHYWNTGWBPTQCX-CYBMUJFWSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000561228264 318834210 /nfs/dbraw/zinc/83/42/10/318834210.db2.gz OOAQVVKPFYVJDR-BTJLNZGRSA-N 1 0 348.378 2.205 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566256123 319265401 /nfs/dbraw/zinc/26/54/01/319265401.db2.gz BAGOPIOCQWHCBS-AEJSXWLSSA-N 1 0 329.784 2.258 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH3+])cc1SC ZINC000574032761 319989240 /nfs/dbraw/zinc/98/92/40/319989240.db2.gz UAEROMPVXYGFET-UHFFFAOYSA-N 1 0 327.406 2.183 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000575741069 320109678 /nfs/dbraw/zinc/10/96/78/320109678.db2.gz OFCHPUPKJYQDDU-ZDUSSCGKSA-N 1 0 342.193 2.215 20 5 EEBDRO CN(C(=O)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000576094004 320139997 /nfs/dbraw/zinc/13/99/97/320139997.db2.gz ISOBBKLEQLLGFQ-IAGOWNOFSA-N 1 0 346.431 2.164 20 5 EEBDRO CC[C@H](CSC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578316171 320307022 /nfs/dbraw/zinc/30/70/22/320307022.db2.gz PPONSBXUBDQPFG-LLVKDONJSA-N 1 0 332.447 2.100 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000580303678 324034547 /nfs/dbraw/zinc/03/45/47/324034547.db2.gz LOJXNAGJYBPMRQ-HIFRSBDPSA-N 1 0 347.415 2.231 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2Cc3ccccc3C2)c1 ZINC000580990606 324163284 /nfs/dbraw/zinc/16/32/84/324163284.db2.gz JHEJHCFIBNIDTF-KRWDZBQOSA-N 1 0 328.368 2.092 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000581427890 324251238 /nfs/dbraw/zinc/25/12/38/324251238.db2.gz RGPKPIPFFJESPB-OLZOCXBDSA-N 1 0 337.424 2.130 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cc(Br)cn2)c(F)c1 ZINC000336844452 465051575 /nfs/dbraw/zinc/05/15/75/465051575.db2.gz ZNGXFCYHBFVLGM-UHFFFAOYSA-N 1 0 343.156 2.483 20 5 EEBDRO C[NH+](C)CC1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000296183887 465108182 /nfs/dbraw/zinc/10/81/82/465108182.db2.gz LSQLVSYTIYGMNA-UHFFFAOYSA-N 1 0 333.388 2.158 20 5 EEBDRO COC(=O)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000336999875 465141407 /nfs/dbraw/zinc/14/14/07/465141407.db2.gz RKZXCUNNJDGTJN-UHFFFAOYSA-N 1 0 349.387 2.199 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517617 465197858 /nfs/dbraw/zinc/19/78/58/465197858.db2.gz OLLLAFJJGMHRCF-KBPBESRZSA-N 1 0 331.376 2.468 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCCCO)C1CC1 ZINC000152546641 462545777 /nfs/dbraw/zinc/54/57/77/462545777.db2.gz AVEKFSUSACNJTI-UHFFFAOYSA-N 1 0 349.387 2.130 20 5 EEBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000074102829 462554737 /nfs/dbraw/zinc/55/47/37/462554737.db2.gz UXVOZKWDYGUZRR-MRXNPFEDSA-N 1 0 328.372 2.490 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000074326571 462587427 /nfs/dbraw/zinc/58/74/27/462587427.db2.gz XRGGEKDTZDPNQN-OAHLLOKOSA-N 1 0 347.415 2.164 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000061525309 462587950 /nfs/dbraw/zinc/58/79/50/462587950.db2.gz FPMSRBCSGOUIIT-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO C[NH+](C)C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCOCC1 ZINC000113925373 462616663 /nfs/dbraw/zinc/61/66/63/462616663.db2.gz WLMYJEBMQQITLF-UHFFFAOYSA-N 1 0 348.403 2.002 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270864 462747964 /nfs/dbraw/zinc/74/79/64/462747964.db2.gz UDWBSBNVZLOMTD-VXGBXAGGSA-N 1 0 344.433 2.467 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000130407284 462754065 /nfs/dbraw/zinc/75/40/65/462754065.db2.gz IABAHCQAFWVRMK-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000154462145 462771808 /nfs/dbraw/zinc/77/18/08/462771808.db2.gz CKKGQMMZOFAVOC-CYBMUJFWSA-N 1 0 335.408 2.092 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](CC2CC2)CC1 ZINC000065873327 462835419 /nfs/dbraw/zinc/83/54/19/462835419.db2.gz QCRPERZFQOAQDN-UHFFFAOYSA-N 1 0 342.399 2.104 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066125541 462853977 /nfs/dbraw/zinc/85/39/77/462853977.db2.gz CMXBCGBYMXAEEE-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119386832 462896560 /nfs/dbraw/zinc/89/65/60/462896560.db2.gz WWULDOOILPIADN-UHFFFAOYSA-N 1 0 343.449 2.337 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120233093 462976479 /nfs/dbraw/zinc/97/64/79/462976479.db2.gz JGDMPDWBCMVPPF-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049969148 462980502 /nfs/dbraw/zinc/98/05/02/462980502.db2.gz QAWSSCHWIWVRIT-CQSZACIVSA-N 1 0 334.420 2.195 20 5 EEBDRO Cn1cnnc1[C@@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156608664 463046892 /nfs/dbraw/zinc/04/68/92/463046892.db2.gz QPSZQWVSTYSKLP-HNNXBMFYSA-N 1 0 331.376 2.329 20 5 EEBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000067796916 463052689 /nfs/dbraw/zinc/05/26/89/463052689.db2.gz LPVOALCNQSJLHB-UHFFFAOYSA-N 1 0 334.420 2.419 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093898934 463052805 /nfs/dbraw/zinc/05/28/05/463052805.db2.gz CZJCLCNGCOKGTI-SECBINFHSA-N 1 0 344.209 2.171 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000067908853 463066069 /nfs/dbraw/zinc/06/60/69/463066069.db2.gz YJNBXKZEPXQEMT-AWEZNQCLSA-N 1 0 349.431 2.384 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+](C)C)cc1OC ZINC000068472110 463141891 /nfs/dbraw/zinc/14/18/91/463141891.db2.gz YCGNOVXHAJWMDL-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471946 468340468 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EEBDRO CC(C)[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000137969967 463302556 /nfs/dbraw/zinc/30/25/56/463302556.db2.gz AOUPHKLRURSUSV-UHFFFAOYSA-N 1 0 331.376 2.116 20 5 EEBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151127246 463481291 /nfs/dbraw/zinc/48/12/91/463481291.db2.gz RPOUDDJPWCEMOZ-MRXNPFEDSA-N 1 0 334.420 2.340 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000108332683 463598589 /nfs/dbraw/zinc/59/85/89/463598589.db2.gz OCAQXLWQZVZNHD-GFCCVEGCSA-N 1 0 332.404 2.241 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000193401264 463710130 /nfs/dbraw/zinc/71/01/30/463710130.db2.gz FRXZXTBJKMUFMF-UHFFFAOYSA-N 1 0 348.403 2.029 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000286983863 463762610 /nfs/dbraw/zinc/76/26/10/463762610.db2.gz OXXNMGPSQCFFND-JSGCOSHPSA-N 1 0 336.417 2.297 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000177805962 463796003 /nfs/dbraw/zinc/79/60/03/463796003.db2.gz CETWTTZFZRFIHP-CABCVRRESA-N 1 0 347.415 2.449 20 5 EEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000185901405 463901722 /nfs/dbraw/zinc/90/17/22/463901722.db2.gz IQTIMMYSOYVFAE-MRXNPFEDSA-N 1 0 347.802 2.477 20 5 EEBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269194904 463904572 /nfs/dbraw/zinc/90/45/72/463904572.db2.gz LEHBAMVXZLGALB-AAEUAGOBSA-N 1 0 332.404 2.287 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261965745 463912849 /nfs/dbraw/zinc/91/28/49/463912849.db2.gz MVYDCOVLVAVWBL-DCAQKATOSA-N 1 0 341.795 2.211 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269267212 463934423 /nfs/dbraw/zinc/93/44/23/463934423.db2.gz KZRKFKLPMIUMBF-KCJUWKMLSA-N 1 0 331.294 2.423 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178681264 463941714 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C[C@H](CCNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182247795 464609597 /nfs/dbraw/zinc/60/95/97/464609597.db2.gz BOMZMYVQQDMLAN-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246696113 464612683 /nfs/dbraw/zinc/61/26/83/464612683.db2.gz IVMDIJCMKIQPEW-GXFFZTMASA-N 1 0 340.330 2.123 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000281875101 464617495 /nfs/dbraw/zinc/61/74/95/464617495.db2.gz FPPSWPVQJCAXFX-AWEZNQCLSA-N 1 0 334.420 2.374 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000190385794 464633198 /nfs/dbraw/zinc/63/31/98/464633198.db2.gz YJSGZWXFXDMJSK-BXKDBHETSA-N 1 0 346.330 2.408 20 5 EEBDRO CN(C(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000272541782 464652954 /nfs/dbraw/zinc/65/29/54/464652954.db2.gz NRPUJKPYHDBTDN-CZUORRHYSA-N 1 0 335.404 2.041 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272570037 464662571 /nfs/dbraw/zinc/66/25/71/464662571.db2.gz FQXWBRYQDUVPQP-BDJLRTHQSA-N 1 0 328.372 2.242 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285757351 464684503 /nfs/dbraw/zinc/68/45/03/464684503.db2.gz ZDXOWPGTLSGXPA-KBPBESRZSA-N 1 0 348.321 2.408 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1F ZINC000295438758 464834109 /nfs/dbraw/zinc/83/41/09/464834109.db2.gz XAGGIQKDVOKBKL-MNOVXSKESA-N 1 0 337.351 2.051 20 5 EEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000276247049 464861039 /nfs/dbraw/zinc/86/10/39/464861039.db2.gz MXCDLLVQIDGXJP-UHFFFAOYSA-N 1 0 342.399 2.211 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286398953 464905207 /nfs/dbraw/zinc/90/52/07/464905207.db2.gz HIOXWGGGUYECEG-IACUBPJLSA-N 1 0 348.321 2.121 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1 ZINC000295636639 464911789 /nfs/dbraw/zinc/91/17/89/464911789.db2.gz PEUPSAAFYIRBNF-UHFFFAOYSA-N 1 0 343.387 2.199 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]2C1 ZINC000192487581 464934165 /nfs/dbraw/zinc/93/41/65/464934165.db2.gz YYEAGLRKZTZKFC-PHIMTYICSA-N 1 0 343.305 2.247 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000192649030 464967882 /nfs/dbraw/zinc/96/78/82/464967882.db2.gz RPAWPHMFSINRMV-UHFFFAOYSA-N 1 0 339.440 2.057 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294258 465694314 /nfs/dbraw/zinc/69/43/14/465694314.db2.gz JQQPCTJKFWKONU-QGPMSJSTSA-N 1 0 349.431 2.287 20 5 EEBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C[N@@H+]1C ZINC000330590576 465719808 /nfs/dbraw/zinc/71/98/08/465719808.db2.gz OAAPUZVQIFLUEP-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000340101742 465767158 /nfs/dbraw/zinc/76/71/58/465767158.db2.gz AGSAILDOXNHKFN-KBPBESRZSA-N 1 0 334.420 2.196 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000344776557 465789759 /nfs/dbraw/zinc/78/97/59/465789759.db2.gz SELATYBRUZYTMM-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362527174 465806139 /nfs/dbraw/zinc/80/61/39/465806139.db2.gz YSLQVMRVXFWNNN-HUUCEWRRSA-N 1 0 344.795 2.158 20 5 EEBDRO Cn1ccnc1[C@H](NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353435474 465879869 /nfs/dbraw/zinc/87/98/69/465879869.db2.gz LWRJTVQTOFDKPF-MRXNPFEDSA-N 1 0 329.404 2.103 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000348953143 465889023 /nfs/dbraw/zinc/88/90/23/465889023.db2.gz XWLJPEWKKTVWEQ-OAHLLOKOSA-N 1 0 333.388 2.085 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000340240610 465912122 /nfs/dbraw/zinc/91/21/22/465912122.db2.gz VKKKICXNOUMPKQ-QWHCGFSZSA-N 1 0 341.433 2.136 20 5 EEBDRO COc1c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000331068726 465920116 /nfs/dbraw/zinc/92/01/16/465920116.db2.gz RCLNCSNEMLRUGU-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118027 465979760 /nfs/dbraw/zinc/97/97/60/465979760.db2.gz AYQSMNDCVAMPGY-XJKSGUPXSA-N 1 0 343.387 2.083 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338292664 465990093 /nfs/dbraw/zinc/99/00/93/465990093.db2.gz UMYAJQXUPZMDFD-VXGBXAGGSA-N 1 0 337.376 2.101 20 5 EEBDRO CCc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000301943823 466065810 /nfs/dbraw/zinc/06/58/10/466065810.db2.gz YUBPTDNWNGJWEH-SWLSCSKDSA-N 1 0 333.436 2.344 20 5 EEBDRO CC[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000569334260 468475279 /nfs/dbraw/zinc/47/52/79/468475279.db2.gz WGLXZCSYNXFAIZ-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000331727302 466220628 /nfs/dbraw/zinc/22/06/28/466220628.db2.gz NXXOQFJWFFPRNU-YOEHRIQHSA-N 1 0 345.403 2.083 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597203068 468479408 /nfs/dbraw/zinc/47/94/08/468479408.db2.gz MDRFUAUIFHFTMD-VHUCWBOISA-N 1 0 331.416 2.405 20 5 EEBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367339160 466275460 /nfs/dbraw/zinc/27/54/60/466275460.db2.gz JHKVJWTXFPFOKG-YIONKMFJSA-N 1 0 333.388 2.057 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852156 466384640 /nfs/dbraw/zinc/38/46/40/466384640.db2.gz PSDCCKXNSMSKFG-HDMKZQKVSA-N 1 0 347.415 2.493 20 5 EEBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000367596265 466438804 /nfs/dbraw/zinc/43/88/04/466438804.db2.gz GIWCAVFLJYGKBA-UHFFFAOYSA-N 1 0 333.388 2.085 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332234643 466462044 /nfs/dbraw/zinc/46/20/44/466462044.db2.gz RRDYCXTYIIDDCW-MNOVXSKESA-N 1 0 344.371 2.013 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332237555 466462282 /nfs/dbraw/zinc/46/22/82/466462282.db2.gz SXIDISQUPBUZOZ-INIZCTEOSA-N 1 0 335.404 2.233 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000332301789 466498622 /nfs/dbraw/zinc/49/86/22/466498622.db2.gz KTOJTYRZHFAXLJ-KGLIPLIRSA-N 1 0 333.388 2.268 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000341024932 466523397 /nfs/dbraw/zinc/52/33/97/466523397.db2.gz AUDVUJPZGWGYFZ-UHFFFAOYSA-N 1 0 345.447 2.463 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CC1(C)C ZINC000591678134 468501369 /nfs/dbraw/zinc/50/13/69/468501369.db2.gz KEVSUSHATUZAOY-SNVBAGLBSA-N 1 0 341.795 2.226 20 5 EEBDRO CCNc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000322864590 466635169 /nfs/dbraw/zinc/63/51/69/466635169.db2.gz WDPVEPGTGGJJIG-AGUYFDCRSA-N 1 0 332.404 2.382 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000324819075 466649751 /nfs/dbraw/zinc/64/97/51/466649751.db2.gz XFZAZPNDDNQANX-INIZCTEOSA-N 1 0 334.347 2.306 20 5 EEBDRO CCOc1cccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000364943304 466724573 /nfs/dbraw/zinc/72/45/73/466724573.db2.gz KYHPVRPDJYPDEE-OAHLLOKOSA-N 1 0 348.447 2.210 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000365494313 466837125 /nfs/dbraw/zinc/83/71/25/466837125.db2.gz LGGKGDKOWCGCBS-CQSZACIVSA-N 1 0 343.339 2.292 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423928752 466916003 /nfs/dbraw/zinc/91/60/03/466916003.db2.gz HSPIDRBQBWDDFH-DLBZAZTESA-N 1 0 325.368 2.389 20 5 EEBDRO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000365928620 466991631 /nfs/dbraw/zinc/99/16/31/466991631.db2.gz ORRHDWXCMRBCMG-HZSPNIEDSA-N 1 0 349.435 2.216 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412087109 467002559 /nfs/dbraw/zinc/00/25/59/467002559.db2.gz OXFNCHLELNBLLI-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377438997 467058848 /nfs/dbraw/zinc/05/88/48/467058848.db2.gz BQWCSKNJUNRLMQ-KGLIPLIRSA-N 1 0 332.404 2.140 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000452088616 467317029 /nfs/dbraw/zinc/31/70/29/467317029.db2.gz RWLWQXITMHODOH-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC2 ZINC000378525234 467331192 /nfs/dbraw/zinc/33/11/92/467331192.db2.gz ZKFUARGJNUHRGA-UHFFFAOYSA-N 1 0 336.367 2.017 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433836341 467357894 /nfs/dbraw/zinc/35/78/94/467357894.db2.gz NXWFKGWFVUTLST-VXGBXAGGSA-N 1 0 337.424 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420336363 467364292 /nfs/dbraw/zinc/36/42/92/467364292.db2.gz MDIGEKOMAMKTMW-DOMZBBRYSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335939 467364991 /nfs/dbraw/zinc/36/49/91/467364991.db2.gz ICSCPDNCQJGEBB-QGZVFWFLSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429775572 467370038 /nfs/dbraw/zinc/37/00/38/467370038.db2.gz PZJJNVPIPGHPFO-BBRMVZONSA-N 1 0 335.404 2.041 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000434238053 467384435 /nfs/dbraw/zinc/38/44/35/467384435.db2.gz UPMCYVXDORODQX-VXGBXAGGSA-N 1 0 337.424 2.386 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420412079 467399041 /nfs/dbraw/zinc/39/90/41/467399041.db2.gz YGBCMBBWLQHETB-AWEZNQCLSA-N 1 0 340.383 2.232 20 5 EEBDRO Cc1ccc([C@H](C)NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000420413148 467400435 /nfs/dbraw/zinc/40/04/35/467400435.db2.gz SQUDNBOJYHGSBR-FNHZYXHNSA-N 1 0 343.427 2.485 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389855270 467403063 /nfs/dbraw/zinc/40/30/63/467403063.db2.gz ZEEJXUOLNSPIPE-UFBFGSQYSA-N 1 0 342.193 2.085 20 5 EEBDRO C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C[NH3+] ZINC000430572530 467443192 /nfs/dbraw/zinc/44/31/92/467443192.db2.gz KFOXYIFCIWDMBS-FZMZJTMJSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc(C[NH2+]CCc2cnc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000453603288 467502162 /nfs/dbraw/zinc/50/21/62/467502162.db2.gz XBQKOGKZIWGVJL-UHFFFAOYSA-N 1 0 332.360 2.043 20 5 EEBDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420924697 467515713 /nfs/dbraw/zinc/51/57/13/467515713.db2.gz KGVYXFVUOYOJDF-CHWSQXEVSA-N 1 0 338.408 2.234 20 5 EEBDRO Cn1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438004929 467559606 /nfs/dbraw/zinc/55/96/06/467559606.db2.gz SNPWJDLWNOSOAD-IYBDPMFKSA-N 1 0 341.415 2.322 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000449520392 467655899 /nfs/dbraw/zinc/65/58/99/467655899.db2.gz DMZJUJIRVMUJPM-UHFFFAOYSA-N 1 0 345.355 2.140 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449680333 467687038 /nfs/dbraw/zinc/68/70/38/467687038.db2.gz JYEIFLBUSNWRFI-ZDUSSCGKSA-N 1 0 343.387 2.043 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449702084 467694424 /nfs/dbraw/zinc/69/44/24/467694424.db2.gz UEEVXEMKTXVUOU-HNNXBMFYSA-N 1 0 332.404 2.287 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000457127252 467761079 /nfs/dbraw/zinc/76/10/79/467761079.db2.gz ROLHCRJCMZMYBH-INIZCTEOSA-N 1 0 344.415 2.491 20 5 EEBDRO Cc1nc(NCC2([NH+]3CCCCC3)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000450357919 467834958 /nfs/dbraw/zinc/83/49/58/467834958.db2.gz OXHFGMGJZAYLMD-UHFFFAOYSA-N 1 0 348.451 2.055 20 5 EEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000493606123 467946575 /nfs/dbraw/zinc/94/65/75/467946575.db2.gz PDYKODXGCFFRIJ-NVXWUHKLSA-N 1 0 349.387 2.034 20 5 EEBDRO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC000518271447 468110239 /nfs/dbraw/zinc/11/02/39/468110239.db2.gz TWEBBQOLUYABKA-UHFFFAOYSA-N 1 0 331.376 2.105 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000488902208 468110853 /nfs/dbraw/zinc/11/08/53/468110853.db2.gz ONABZRZWVCRHLG-CQSZACIVSA-N 1 0 346.362 2.349 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000489264317 468125363 /nfs/dbraw/zinc/12/53/63/468125363.db2.gz LSKNGIXLUVMZJT-ZBFHGGJFSA-N 1 0 349.435 2.179 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)ccnc21 ZINC000590079877 468212465 /nfs/dbraw/zinc/21/24/65/468212465.db2.gz VJCFGSKHKKCQQP-NVXWUHKLSA-N 1 0 342.399 2.178 20 5 EEBDRO Cc1c(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000590389027 468244359 /nfs/dbraw/zinc/24/43/59/468244359.db2.gz RDUQLLWJMOGTOY-CYBMUJFWSA-N 1 0 347.415 2.229 20 5 EEBDRO Cc1cccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728888 468512114 /nfs/dbraw/zinc/51/21/14/468512114.db2.gz RCXBQWHOPVBLIC-INIZCTEOSA-N 1 0 330.384 2.475 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597441255 468557305 /nfs/dbraw/zinc/55/73/05/468557305.db2.gz QOPVFRMDTQEXFG-INIZCTEOSA-N 1 0 346.431 2.359 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594434035 468584921 /nfs/dbraw/zinc/58/49/21/468584921.db2.gz JNYZVHBFNCKWFA-FUHWJXTLSA-N 1 0 331.416 2.423 20 5 EEBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594450239 468593872 /nfs/dbraw/zinc/59/38/72/468593872.db2.gz VOXQFDVVAWOUJU-WMZOPIPTSA-N 1 0 329.400 2.476 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253704 468665377 /nfs/dbraw/zinc/66/53/77/468665377.db2.gz LMYNCNCOJCLOSD-LSDHHAIUSA-N 1 0 347.415 2.212 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594800461 468691156 /nfs/dbraw/zinc/69/11/56/468691156.db2.gz FXSUHFIPXLFWMW-LBPRGKRZSA-N 1 0 341.433 2.054 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597854644 468694613 /nfs/dbraw/zinc/69/46/13/468694613.db2.gz KMMRZEWOCWCZOJ-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000592428596 468695962 /nfs/dbraw/zinc/69/59/62/468695962.db2.gz DHUMHNLEZLVPKZ-PXAZEXFGSA-N 1 0 331.372 2.403 20 5 EEBDRO CCOc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000597994661 468734672 /nfs/dbraw/zinc/73/46/72/468734672.db2.gz CQMCQJJVWOGZNE-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccsc1[N+](=O)[O-] ZINC000601110333 468745029 /nfs/dbraw/zinc/74/50/29/468745029.db2.gz ARWBRDLERKROJD-LBPRGKRZSA-N 1 0 326.422 2.011 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583992241 468782744 /nfs/dbraw/zinc/78/27/44/468782744.db2.gz ZLOZOLWKTFYPRB-HZPDHXFCSA-N 1 0 343.383 2.219 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000601439709 468874754 /nfs/dbraw/zinc/87/47/54/468874754.db2.gz JGOBQHLZUCWPNU-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593129660 468881063 /nfs/dbraw/zinc/88/10/63/468881063.db2.gz SLBZQHVGAFWSGE-DLBZAZTESA-N 1 0 348.399 2.495 20 5 EEBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000601623213 468941117 /nfs/dbraw/zinc/94/11/17/468941117.db2.gz YWCZAMWFEGZADW-UHFFFAOYSA-N 1 0 332.360 2.256 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650923 468945777 /nfs/dbraw/zinc/94/57/77/468945777.db2.gz QCLXDWLNKIMUHM-TZMCWYRMSA-N 1 0 335.404 2.182 20 5 EEBDRO COC(=O)c1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000598665386 468950989 /nfs/dbraw/zinc/95/09/89/468950989.db2.gz UQFGKICCNRFSNY-NSHDSACASA-N 1 0 335.360 2.100 20 5 EEBDRO CO[C@@](C)(C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000602674823 469004989 /nfs/dbraw/zinc/00/49/89/469004989.db2.gz DTWFRHLUQDYAFB-SFHVURJKSA-N 1 0 347.415 2.168 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc2c1CC[NH2+]C2 ZINC000595922953 469085404 /nfs/dbraw/zinc/08/54/04/469085404.db2.gz MYQAKCYUIXOPSM-UHFFFAOYSA-N 1 0 340.383 2.082 20 5 EEBDRO CCOC(=O)C[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602818952 469095136 /nfs/dbraw/zinc/09/51/36/469095136.db2.gz OTVVYZQBBBPKFV-HNNXBMFYSA-N 1 0 326.397 2.057 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000562999726 469130151 /nfs/dbraw/zinc/13/01/51/469130151.db2.gz DLMRZAUJTFSREI-DOTOQJQBSA-N 1 0 330.388 2.128 20 5 EEBDRO CC1(C)C[C@@]1(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596070545 469138498 /nfs/dbraw/zinc/13/84/98/469138498.db2.gz RHSKNALFSRMUEM-SJLPKXTDSA-N 1 0 344.415 2.110 20 5 EEBDRO NC(=O)c1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000596073275 469140181 /nfs/dbraw/zinc/14/01/81/469140181.db2.gz KJPSLGLPDNEAFG-UHFFFAOYSA-N 1 0 340.383 2.164 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611185061 469187514 /nfs/dbraw/zinc/18/75/14/469187514.db2.gz GDJQFIIQRIYWCT-KRWDZBQOSA-N 1 0 343.383 2.220 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000602961045 469192243 /nfs/dbraw/zinc/19/22/43/469192243.db2.gz SWFJIMSYDGSLDO-GFCCVEGCSA-N 1 0 347.419 2.058 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000589107752 469196313 /nfs/dbraw/zinc/19/63/13/469196313.db2.gz JVCLQAINZXQJHY-UHFFFAOYSA-N 1 0 340.811 2.192 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000611336909 469230668 /nfs/dbraw/zinc/23/06/68/469230668.db2.gz DYGNFFOAFUCVJV-GDZNZVCISA-N 1 0 337.420 2.363 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602424797 469310332 /nfs/dbraw/zinc/31/03/32/469310332.db2.gz MBJLLRMHDMDVDE-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603224951 469315360 /nfs/dbraw/zinc/31/53/60/469315360.db2.gz WPIVSFOSKTZRSO-UHFFFAOYSA-N 1 0 333.367 2.402 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000615842424 469325603 /nfs/dbraw/zinc/32/56/03/469325603.db2.gz XGHBKVXTNYDVQZ-RVDMUPIBSA-N 1 0 333.432 2.387 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000599674010 469334091 /nfs/dbraw/zinc/33/40/91/469334091.db2.gz VXIVMOBGHFPOAL-JGZJWPJOSA-N 1 0 346.330 2.408 20 5 EEBDRO CCN1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602499693 469340255 /nfs/dbraw/zinc/34/02/55/469340255.db2.gz SQRABEZUHWRIKQ-UHFFFAOYSA-N 1 0 333.436 2.033 20 5 EEBDRO CC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000602509137 469343323 /nfs/dbraw/zinc/34/33/23/469343323.db2.gz OLNSLSMOIVNJCW-MRXNPFEDSA-N 1 0 347.463 2.423 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000602527656 469351076 /nfs/dbraw/zinc/35/10/76/469351076.db2.gz JZEPVAZCVYKTDW-MRXNPFEDSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000612117471 469398721 /nfs/dbraw/zinc/39/87/21/469398721.db2.gz QIBRXOJKHZRBON-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000604475001 469481389 /nfs/dbraw/zinc/48/13/89/469481389.db2.gz SFYPCMWELQJKHN-SFHVURJKSA-N 1 0 349.431 2.160 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000619758797 469677714 /nfs/dbraw/zinc/67/77/14/469677714.db2.gz KRLLCRAFKUYKMH-INIZCTEOSA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610022188 469974650 /nfs/dbraw/zinc/97/46/50/469974650.db2.gz DJLNXCANDTYGAH-ZDUSSCGKSA-N 1 0 349.435 2.036 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610064616 469977608 /nfs/dbraw/zinc/97/76/08/469977608.db2.gz KIMWZQHYGRQWIO-OAHLLOKOSA-N 1 0 349.431 2.099 20 5 EEBDRO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000610336853 470005147 /nfs/dbraw/zinc/00/51/47/470005147.db2.gz PFFJTTFCNPBZDG-BZPMIXESSA-N 1 0 326.418 2.160 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202832 485602922 /nfs/dbraw/zinc/60/29/22/485602922.db2.gz SKKAWRUVFIOXOA-KGLIPLIRSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430596818 485704640 /nfs/dbraw/zinc/70/46/40/485704640.db2.gz POQZGSNEXZOAQC-BLLLJJGKSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000181814027 534226711 /nfs/dbraw/zinc/22/67/11/534226711.db2.gz CDRGPSYXIOMNAK-ZFWWWQNUSA-N 1 0 338.404 2.110 20 5 EEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccsc1 ZINC000187773728 528671261 /nfs/dbraw/zinc/67/12/61/528671261.db2.gz WJFSGXOLFRKNCD-SWLSCSKDSA-N 1 0 338.433 2.167 20 5 EEBDRO C[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000264228803 536385787 /nfs/dbraw/zinc/38/57/87/536385787.db2.gz XLOZOEKQZPXFJB-UHFFFAOYSA-N 1 0 331.376 2.075 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000459754364 536476557 /nfs/dbraw/zinc/47/65/57/536476557.db2.gz JKBDSVJWCQMAOC-RDBSUJKOSA-N 1 0 334.372 2.425 20 5 EEBDRO C[NH+](C)CC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000725787244 576026265 /nfs/dbraw/zinc/02/62/65/576026265.db2.gz CSIZJUMKCZVLQK-UHFFFAOYSA-N 1 0 332.404 2.258 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773129519 577318048 /nfs/dbraw/zinc/31/80/48/577318048.db2.gz HENIVWYJHSHQPH-IAGOWNOFSA-N 1 0 346.431 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000776273954 577456266 /nfs/dbraw/zinc/45/62/66/577456266.db2.gz BSFMSHKXMWYPKJ-MRXNPFEDSA-N 1 0 347.440 2.338 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3C2)cc1 ZINC000776280412 577456712 /nfs/dbraw/zinc/45/67/12/577456712.db2.gz ZHSODXHNDXBOSR-DYVFJYSZSA-N 1 0 328.368 2.469 20 5 EEBDRO CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574462 577462839 /nfs/dbraw/zinc/46/28/39/577462839.db2.gz HUDJCGDGJIUGMD-QGZVFWFLSA-N 1 0 349.431 2.112 20 5 EEBDRO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579508 577463005 /nfs/dbraw/zinc/46/30/05/577463005.db2.gz MCACGCIJNKJHOL-HIFRSBDPSA-N 1 0 332.360 2.199 20 5 EEBDRO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580283 577463012 /nfs/dbraw/zinc/46/30/12/577463012.db2.gz SFJJGJDLNGBKPN-DOTOQJQBSA-N 1 0 349.431 2.257 20 5 EEBDRO Cc1nn(CN2CC[NH+](C3CCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764987360 577492375 /nfs/dbraw/zinc/49/23/75/577492375.db2.gz JIZVMGHYFQMIMG-UHFFFAOYSA-N 1 0 329.404 2.381 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC[C@@H]3CCOC3)CC2)cc1 ZINC000765900599 577508884 /nfs/dbraw/zinc/50/88/84/577508884.db2.gz REURMDCIAPNNIT-OAHLLOKOSA-N 1 0 349.431 2.206 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000766970105 577528181 /nfs/dbraw/zinc/52/81/81/577528181.db2.gz OKSVTIKKAUGMAV-XWIAVFTESA-N 1 0 330.384 2.382 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761080519 577676013 /nfs/dbraw/zinc/67/60/13/577676013.db2.gz JNQYAPYCFHUUGS-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000742413103 577872658 /nfs/dbraw/zinc/87/26/58/577872658.db2.gz ZLRWQFNVHBKSCQ-SKDRFNHKSA-N 1 0 338.364 2.198 20 5 EEBDRO Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000749389461 577975562 /nfs/dbraw/zinc/97/55/62/577975562.db2.gz NDMPTFMDYDYGPY-UHFFFAOYSA-N 1 0 334.420 2.289 20 5 EEBDRO COc1ccc(OC)c(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749693023 577980109 /nfs/dbraw/zinc/98/01/09/577980109.db2.gz VMLCEHRMJQDLRX-QGZVFWFLSA-N 1 0 346.383 2.478 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741724988 578123081 /nfs/dbraw/zinc/12/30/81/578123081.db2.gz PIGWXGPRSLHUEO-GXSJLCMTSA-N 1 0 336.348 2.024 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736572701 578212330 /nfs/dbraw/zinc/21/23/30/578212330.db2.gz ZYKAOIOSZXFQDA-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1F ZINC001021921551 676549462 /nfs/dbraw/zinc/54/94/62/676549462.db2.gz FFSQIQIMKGZHRY-BETUJISGSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cncc(F)c1 ZINC001021957179 676561796 /nfs/dbraw/zinc/56/17/96/676561796.db2.gz MJFYBFOFQLDALJ-GASCZTMLSA-N 1 0 344.346 2.180 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1=O ZINC000891847336 676862496 /nfs/dbraw/zinc/86/24/96/676862496.db2.gz WZNANINQTRAKBD-ZFWWWQNUSA-N 1 0 342.399 2.485 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892626168 682002193 /nfs/dbraw/zinc/00/21/93/682002193.db2.gz NHFCMRUUBBJYHK-HNNXBMFYSA-N 1 0 344.415 2.223 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892674233 682296090 /nfs/dbraw/zinc/29/60/90/682296090.db2.gz UVYXMZBLMKFMFG-NEPJUHHUSA-N 1 0 330.388 2.341 20 5 EEBDRO C[C@@]1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892780276 683035051 /nfs/dbraw/zinc/03/50/51/683035051.db2.gz RHVGQQMIUYJTKW-OAHLLOKOSA-N 1 0 339.342 2.287 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893104202 683773839 /nfs/dbraw/zinc/77/38/39/683773839.db2.gz ZLXVUGQCYAHTJI-UKRRQHHQSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1nocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000984726266 685066081 /nfs/dbraw/zinc/06/60/81/685066081.db2.gz SOVFTRBTDQNYHB-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896938736 685999457 /nfs/dbraw/zinc/99/94/57/685999457.db2.gz DZLZDSBAKCVCAO-CQSZACIVSA-N 1 0 337.420 2.298 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001059665484 687877205 /nfs/dbraw/zinc/87/72/05/687877205.db2.gz WGRVKRQBQZJEIB-GASCZTMLSA-N 1 0 346.431 2.304 20 5 EEBDRO CC(F)(F)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989848197 692384757 /nfs/dbraw/zinc/38/47/57/692384757.db2.gz QXHQYKWJNFIJQY-UHFFFAOYSA-N 1 0 327.331 2.331 20 5 EEBDRO O=C(c1cncs1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990066646 692622580 /nfs/dbraw/zinc/62/25/80/692622580.db2.gz JSRMRWJFMFYSCZ-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000865466258 1198232568 /nfs/dbraw/zinc/23/25/68/1198232568.db2.gz SNUKTSKOSGFHSR-IAGOWNOFSA-N 1 0 334.347 2.226 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865567261 1198280252 /nfs/dbraw/zinc/28/02/52/1198280252.db2.gz HBCSGBQIVJLDGI-GFCCVEGCSA-N 1 0 325.384 2.394 20 5 EEBDRO COCCOC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000873129594 1198507966 /nfs/dbraw/zinc/50/79/66/1198507966.db2.gz SLDWKEQGRNEMGC-UHFFFAOYSA-N 1 0 338.404 2.205 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876714936 1199736103 /nfs/dbraw/zinc/73/61/03/1199736103.db2.gz GQHIKJZYZSHHMN-KRWDZBQOSA-N 1 0 346.475 2.423 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289334 1199896316 /nfs/dbraw/zinc/89/63/16/1199896316.db2.gz RSJGFARJRWPAIO-NILFDRSVSA-N 1 0 335.429 2.428 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878298603 1200382657 /nfs/dbraw/zinc/38/26/57/1200382657.db2.gz JTLNTXHAACHKKO-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000878596814 1200563378 /nfs/dbraw/zinc/56/33/78/1200563378.db2.gz HQXICJFASXGHIR-SJORKVTESA-N 1 0 332.404 2.448 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000879036757 1200820300 /nfs/dbraw/zinc/82/03/00/1200820300.db2.gz QIHWMZBMDGPQGK-KRWDZBQOSA-N 1 0 330.388 2.083 20 5 EEBDRO CSCC1(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867984727 1201720680 /nfs/dbraw/zinc/72/06/80/1201720680.db2.gz RNKOHEKWOJWYDJ-HNNXBMFYSA-N 1 0 337.445 2.418 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCCC[NH+]1CCCC1 ZINC000800154050 1202213890 /nfs/dbraw/zinc/21/38/90/1202213890.db2.gz JJMAVMZDDXSNRD-UHFFFAOYSA-N 1 0 326.324 2.142 20 5 EEBDRO C[N@H+](CCO)CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000884823475 1202362704 /nfs/dbraw/zinc/36/27/04/1202362704.db2.gz VGJQASQMEMFAIZ-UHFFFAOYSA-N 1 0 343.383 2.162 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838980 1204723817 /nfs/dbraw/zinc/72/38/17/1204723817.db2.gz TXEOKEOZCJRBRF-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1ccc(N2CCC(NC(=O)CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095441681 1205758443 /nfs/dbraw/zinc/75/84/43/1205758443.db2.gz RZTXWUCQWJWUCK-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095769918 1208501884 /nfs/dbraw/zinc/50/18/84/1208501884.db2.gz POUVXKVWFCJQFC-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000246219657 1212091844 /nfs/dbraw/zinc/09/18/44/1212091844.db2.gz QMZXLJVZPUJLBF-DGCLKSJQSA-N 1 0 334.420 2.336 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000114147985 1225896312 /nfs/dbraw/zinc/89/63/12/1225896312.db2.gz IUONSYUYHZXHHO-AWEZNQCLSA-N 1 0 346.431 2.219 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020129916 1229499948 /nfs/dbraw/zinc/49/99/48/1229499948.db2.gz BDUFLABMOPCONA-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO CC1(NC(=O)c2cnco2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045516245 1233788769 /nfs/dbraw/zinc/78/87/69/1233788769.db2.gz KZJMPKLIWKQWIL-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900401112 1234317548 /nfs/dbraw/zinc/31/75/48/1234317548.db2.gz AWQHKCHQHHQXMG-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO O=C(/C=C/C1CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048746855 1238502012 /nfs/dbraw/zinc/50/20/12/1238502012.db2.gz YRORTIVETPBNEC-COCHJFRFSA-N 1 0 341.411 2.451 20 5 EEBDRO CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCC1 ZINC001055969957 1238540238 /nfs/dbraw/zinc/54/02/38/1238540238.db2.gz DIHFKPFLFGRLOD-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO CCN1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000903392425 1240378307 /nfs/dbraw/zinc/37/83/07/1240378307.db2.gz SDCSLBTWOFSEMO-QGZVFWFLSA-N 1 0 346.431 2.164 20 5 EEBDRO COc1ccc(OCCOC(=O)[C@@H](C(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000803494364 1240525512 /nfs/dbraw/zinc/52/55/12/1240525512.db2.gz CWBOMZOIHLFUCA-OAHLLOKOSA-N 1 0 340.376 2.112 20 5 EEBDRO Cc1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1 ZINC001050517008 1243768704 /nfs/dbraw/zinc/76/87/04/1243768704.db2.gz MOPZSIQFSBDFHB-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097211955 1243832328 /nfs/dbraw/zinc/83/23/28/1243832328.db2.gz JJBGFWBPKOVGSH-GASCZTMLSA-N 1 0 334.420 2.304 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579223 1278144040 /nfs/dbraw/zinc/14/40/40/1278144040.db2.gz HYKPGWXHPDYYHE-CZUORRHYSA-N 1 0 348.447 2.471 20 5 EEBDRO CC1(C)OC[C@@H](CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000851729389 1277732597 /nfs/dbraw/zinc/73/25/97/1277732597.db2.gz MLIWTVRCRSSWTH-MRXNPFEDSA-N 1 0 335.404 2.258 20 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ZINC000855898830 1293360716 /nfs/dbraw/zinc/36/07/16/1293360716.db2.gz WKXGMPNBACLYGJ-CYBMUJFWSA-N 1 0 334.420 2.336 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000861034588 1295225666 /nfs/dbraw/zinc/22/56/66/1295225666.db2.gz YQKNDYWXCWYBTM-ZDUSSCGKSA-N 1 0 347.371 2.344 20 5 EEBDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000861628247 1295481808 /nfs/dbraw/zinc/48/18/08/1295481808.db2.gz MATAUIKXLAIGDX-MRVPVSSYSA-N 1 0 334.298 2.102 20 5 EEBDRO CC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C3)CC1 ZINC001072763218 1296116278 /nfs/dbraw/zinc/11/62/78/1296116278.db2.gz RMKUAPIVJAKCKH-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC000931345538 1297149562 /nfs/dbraw/zinc/14/95/62/1297149562.db2.gz SFQBKCUXFNHODM-CVEARBPZSA-N 1 0 343.387 2.095 20 5 EEBDRO CSCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222330066 1299485845 /nfs/dbraw/zinc/48/58/45/1299485845.db2.gz PWUWOBDOVLHVIT-UHFFFAOYSA-N 1 0 337.445 2.286 20 5 EEBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226439994 1301413460 /nfs/dbraw/zinc/41/34/60/1301413460.db2.gz RNUIJJVSYWBGMW-NSHDSACASA-N 1 0 338.360 2.253 20 5 EEBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733025 1301531737 /nfs/dbraw/zinc/53/17/37/1301531737.db2.gz FBVYCVYNIWWEQS-TZMCWYRMSA-N 1 0 329.360 2.384 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(O)c1I ZINC001227383104 1301808255 /nfs/dbraw/zinc/80/82/55/1301808255.db2.gz ZBQXBVRDHQZWGG-VIFPVBQESA-O 1 0 336.193 2.470 20 5 EEBDRO COC(=O)c1cccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001227897127 1302001450 /nfs/dbraw/zinc/00/14/50/1302001450.db2.gz OBFXGGLUTPQEKD-DRXBFXEBSA-N 1 0 334.372 2.491 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229941193 1302991923 /nfs/dbraw/zinc/99/19/23/1302991923.db2.gz PCAMXVGJVCQGSF-SECBINFHSA-N 1 0 348.140 2.282 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(N3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC001234359063 1304897785 /nfs/dbraw/zinc/89/77/85/1304897785.db2.gz CIGZYWUHHQZERB-FOLVSLTJSA-N 1 0 347.415 2.435 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC001118992555 1308969797 /nfs/dbraw/zinc/96/97/97/1308969797.db2.gz NPEUUTARLXPWRA-GOSISDBHSA-N 1 0 348.447 2.102 20 5 EEBDRO C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001120544119 1309603982 /nfs/dbraw/zinc/60/39/82/1309603982.db2.gz NZTKBFYVYUGNNI-CYBMUJFWSA-N 1 0 334.420 2.387 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)[NH2+]C[C@H]2C)c1F ZINC001246693920 1310381840 /nfs/dbraw/zinc/38/18/40/1310381840.db2.gz UCQDZMDEKOIGAM-SDDRHHMPSA-N 1 0 325.384 2.356 20 5 EEBDRO CCOC(=O)CN(CCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246919808 1310467513 /nfs/dbraw/zinc/46/75/13/1310467513.db2.gz LFZBHBOTGGCVDW-MRXNPFEDSA-N 1 0 349.431 2.056 20 5 EEBDRO [NH3+][C@@H](Cc1cccs1)Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247161283 1310539938 /nfs/dbraw/zinc/53/99/38/1310539938.db2.gz AMJLDBBWICTNRD-VIFPVBQESA-N 1 0 349.347 2.353 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161557 1315492693 /nfs/dbraw/zinc/49/26/93/1315492693.db2.gz NEWFLRAZIBLRGJ-SSDOTTSWSA-N 1 0 331.170 2.168 20 5 EEBDRO [NH3+]C1(c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)CCC1 ZINC000842616043 1315732679 /nfs/dbraw/zinc/73/26/79/1315732679.db2.gz DFEKSMREFXCMOM-UHFFFAOYSA-N 1 0 333.304 2.009 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@@H]4CCC[NH2+]C4)no3)n2)cc1 ZINC000842670266 1315750510 /nfs/dbraw/zinc/75/05/10/1315750510.db2.gz SLVOGFLMPUGKEC-LLVKDONJSA-N 1 0 340.343 2.298 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(F)cc1 ZINC000843076333 1315835924 /nfs/dbraw/zinc/83/59/24/1315835924.db2.gz YNROWRAKIMOPSE-JECHBYEQSA-N 1 0 334.347 2.479 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000843077595 1315836335 /nfs/dbraw/zinc/83/63/35/1315836335.db2.gz SVKIUNCLPBHBJG-WMZOPIPTSA-N 1 0 330.384 2.384 20 5 EEBDRO Cc1nn(Cc2ccc(-c3nc(CC[NH3+])no3)cc2)c(C)c1[N+](=O)[O-] ZINC000843130320 1315850667 /nfs/dbraw/zinc/85/06/67/1315850667.db2.gz GHHFOWZCARNSIX-UHFFFAOYSA-N 1 0 342.359 2.008 20 5 EEBDRO COc1cc(Cc2noc(C3CC[NH2+]CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843224923 1315870807 /nfs/dbraw/zinc/87/08/07/1315870807.db2.gz AXGABDPYKVYHGP-UHFFFAOYSA-N 1 0 348.359 2.053 20 5 EEBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155254935 1317525115 /nfs/dbraw/zinc/52/51/15/1317525115.db2.gz PJZNYMFRZMYOEV-MRVPVSSYSA-N 1 0 333.735 2.240 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155595923 1317666011 /nfs/dbraw/zinc/66/60/11/1317666011.db2.gz FFRKCUVZVWSCHY-PXAZEXFGSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001155624842 1317679959 /nfs/dbraw/zinc/67/99/59/1317679959.db2.gz JARBGMXSOWHQLB-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(C[NH+](C)C)c1 ZINC001156044151 1317848652 /nfs/dbraw/zinc/84/86/52/1317848652.db2.gz HMAWMZOKMDNMOL-UHFFFAOYSA-N 1 0 344.371 2.450 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(CCC[NH3+])C(C)C ZINC001156118302 1317884404 /nfs/dbraw/zinc/88/44/04/1317884404.db2.gz CBQZCGTWCARYPL-UHFFFAOYSA-N 1 0 344.799 2.384 20 5 EEBDRO COC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254468295 1318081662 /nfs/dbraw/zinc/08/16/62/1318081662.db2.gz KHYZMZKMJWBPCV-ZFWWWQNUSA-N 1 0 347.415 2.495 20 5 EEBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480213 1318083890 /nfs/dbraw/zinc/08/38/90/1318083890.db2.gz YGLFGNFQETWEPJ-HDICACEKSA-N 1 0 330.432 2.342 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001254566972 1318124921 /nfs/dbraw/zinc/12/49/21/1318124921.db2.gz VQKIVASPBQYJJN-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001254570959 1318126009 /nfs/dbraw/zinc/12/60/09/1318126009.db2.gz QVWWEBWNXPXDAI-CWRNSKLLSA-N 1 0 331.416 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)C2 ZINC001254572543 1318126653 /nfs/dbraw/zinc/12/66/53/1318126653.db2.gz PTUWSQHFZDNHOQ-PKOBYXMFSA-N 1 0 342.395 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1)C2 ZINC001254592672 1318135934 /nfs/dbraw/zinc/13/59/34/1318135934.db2.gz FNMRXVYNIKAPJE-BNOWGMLFSA-N 1 0 330.306 2.165 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254588416 1318137509 /nfs/dbraw/zinc/13/75/09/1318137509.db2.gz FTWZNYMAMCTLGY-CQSZACIVSA-N 1 0 327.340 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3ccncn3)CC1)C2 ZINC001254610942 1318143452 /nfs/dbraw/zinc/14/34/52/1318143452.db2.gz MVFLVEXJIDCTPE-MRXNPFEDSA-N 1 0 340.383 2.395 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ccnnc3)CC2)ccc1[N+](=O)[O-] ZINC001256087000 1318645318 /nfs/dbraw/zinc/64/53/18/1318645318.db2.gz LFEIAYBINKJYIE-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)cc2C1 ZINC001157979084 1318957510 /nfs/dbraw/zinc/95/75/10/1318957510.db2.gz BMTUKOWBKACTPY-SECBINFHSA-N 1 0 343.721 2.253 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCCc2cn3ccccc3n2)c1 ZINC001158144682 1319040993 /nfs/dbraw/zinc/04/09/93/1319040993.db2.gz ARPDGLYFJLKQIL-UHFFFAOYSA-N 1 0 333.735 2.184 20 5 EEBDRO COc1cc(N(c2ccncc2F)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001158340330 1319184798 /nfs/dbraw/zinc/18/47/98/1319184798.db2.gz SGNSYJRDFQCHFX-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO COc1cc(C)nc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160198634 1320096880 /nfs/dbraw/zinc/09/68/80/1320096880.db2.gz FLKPNAIOMYBPNL-LLVKDONJSA-N 1 0 330.344 2.165 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160201820 1320097385 /nfs/dbraw/zinc/09/73/85/1320097385.db2.gz VEJQZWFBYLYQIG-SNVBAGLBSA-N 1 0 325.328 2.329 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001161583467 1320547589 /nfs/dbraw/zinc/54/75/89/1320547589.db2.gz LBJLYLNHNADAPP-UHFFFAOYSA-N 1 0 333.779 2.493 20 5 EEBDRO COCCC1([NH3+])CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001162042288 1320730746 /nfs/dbraw/zinc/73/07/46/1320730746.db2.gz ZRMPKCZGJGLURP-UHFFFAOYSA-N 1 0 330.388 2.477 20 5 EEBDRO O=[N+]([O-])c1cnc2cccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)n21 ZINC001163064596 1321026784 /nfs/dbraw/zinc/02/67/84/1321026784.db2.gz FMRUMJDOSNPJCS-CYBMUJFWSA-N 1 0 340.387 2.266 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163071520 1321028351 /nfs/dbraw/zinc/02/83/51/1321028351.db2.gz DGCNZTZDVZMIOW-LBPRGKRZSA-N 1 0 331.294 2.404 20 5 EEBDRO [NH3+]Cc1ccc(-c2cn(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])cn2)cc1 ZINC001163218095 1321069676 /nfs/dbraw/zinc/06/96/76/1321069676.db2.gz HCUJSGKRUYYYML-UHFFFAOYSA-N 1 0 345.746 2.193 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)CCC[NH+](C)C ZINC001163595664 1321166545 /nfs/dbraw/zinc/16/65/45/1321166545.db2.gz SGHGFRAYQOZUPN-UHFFFAOYSA-N 1 0 344.799 2.208 20 5 EEBDRO COc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001163670036 1321187364 /nfs/dbraw/zinc/18/73/64/1321187364.db2.gz ZSUFMTVZARCBJV-OAHLLOKOSA-N 1 0 328.372 2.492 20 5 EEBDRO NC(=O)c1ccnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001163897300 1321241846 /nfs/dbraw/zinc/24/18/46/1321241846.db2.gz KJXJSHFAGVJZJD-UHFFFAOYSA-N 1 0 345.746 2.145 20 5 EEBDRO C[NH+](C)C1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001163942737 1321253517 /nfs/dbraw/zinc/25/35/17/1321253517.db2.gz MZSWCOJJAROVMP-UHFFFAOYSA-N 1 0 333.779 2.455 20 5 EEBDRO Cc1cc(N2CCC[C@H]3[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165394892 1321515813 /nfs/dbraw/zinc/51/58/13/1321515813.db2.gz KRDMKXJYGGRIQP-HUUCEWRRSA-N 1 0 325.372 2.301 20 5 EEBDRO CC(C)c1nc(CN(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cs1 ZINC001167009056 1321837178 /nfs/dbraw/zinc/83/71/78/1321837178.db2.gz JHGYTAWSJLLLEX-UHFFFAOYSA-N 1 0 348.432 2.288 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH3+])cc1[N+](=O)[O-] ZINC001261481083 1322112959 /nfs/dbraw/zinc/11/29/59/1322112959.db2.gz KZVSFVKVUQALHQ-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO Cn1cc([N+](=O)[O-])c(NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC001306929703 1331501037 /nfs/dbraw/zinc/50/10/37/1331501037.db2.gz BLJNJRJJHOHJIU-UHFFFAOYSA-N 1 0 325.438 2.102 20 5 EEBDRO NC(=O)c1cccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001308689848 1331602269 /nfs/dbraw/zinc/60/22/69/1331602269.db2.gz LNXWAJHWRSUSML-UHFFFAOYSA-N 1 0 340.339 2.167 20 5 EEBDRO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001311609402 1331776300 /nfs/dbraw/zinc/77/63/00/1331776300.db2.gz MLYUAHOWNDDVDV-MRRJBJDNSA-N 1 0 332.404 2.249 20 5 EEBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001318058816 1332466366 /nfs/dbraw/zinc/46/63/66/1332466366.db2.gz ANPSRZGXTIBMOL-AWEZNQCLSA-N 1 0 335.404 2.484 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001318995069 1332634214 /nfs/dbraw/zinc/63/42/14/1332634214.db2.gz LKEHIZXJYKDENF-CHWSQXEVSA-N 1 0 336.392 2.451 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001320865597 1332968762 /nfs/dbraw/zinc/96/87/62/1332968762.db2.gz MXBLHDFOVMGPAA-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001609099372 1351843127 /nfs/dbraw/zinc/84/31/27/1351843127.db2.gz BCMTWMVNHYEXPW-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609145162 1351860576 /nfs/dbraw/zinc/86/05/76/1351860576.db2.gz CPXMORGBEMTCFJ-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH+](C)C1CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001609265848 1351915542 /nfs/dbraw/zinc/91/55/42/1351915542.db2.gz IPWJCEZTVQTTSU-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c(-c2nn[nH]n2)c1 ZINC001609602217 1352031520 /nfs/dbraw/zinc/03/15/20/1352031520.db2.gz RMRPZMYRHIPDQU-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO CCOc1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001335316880 1336362707 /nfs/dbraw/zinc/36/27/07/1336362707.db2.gz FFUOWQKKFYBYKE-INIZCTEOSA-N 1 0 331.372 2.254 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOCC2CCOCC2)c1 ZINC001335397873 1336370874 /nfs/dbraw/zinc/37/08/74/1336370874.db2.gz JZPMFQYCKMEHDL-QGZVFWFLSA-N 1 0 338.404 2.051 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001335837571 1336435396 /nfs/dbraw/zinc/43/53/96/1336435396.db2.gz CZAUAXKITCECJK-SRABZTEZSA-N 1 0 329.400 2.441 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC001336800603 1336596938 /nfs/dbraw/zinc/59/69/38/1336596938.db2.gz HRQXTVZUVNTRKD-MSOLQXFVSA-N 1 0 328.368 2.052 20 5 EEBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001340122106 1337125185 /nfs/dbraw/zinc/12/51/85/1337125185.db2.gz BHPMUMLWEHUOGG-CYBMUJFWSA-N 1 0 338.456 2.194 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CSCC[NH2+]2)c1 ZINC001341147509 1337284894 /nfs/dbraw/zinc/28/48/94/1337284894.db2.gz HEUZFGGAOANVNM-SNVBAGLBSA-N 1 0 341.458 2.142 20 5 EEBDRO C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001575063040 1343726370 /nfs/dbraw/zinc/72/63/70/1343726370.db2.gz PJKYHKRJIUSZNY-LQAWEQHXSA-N 1 0 335.379 2.295 20 5 EEBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH3+])CC1 ZINC001575671571 1343851266 /nfs/dbraw/zinc/85/12/66/1343851266.db2.gz TWEFQFAJDUSTMB-UHFFFAOYSA-N 1 0 344.419 2.437 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC001575799651 1343888473 /nfs/dbraw/zinc/88/84/73/1343888473.db2.gz XHKGZPMOPFMGEB-OAHLLOKOSA-N 1 0 335.404 2.500 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001576749085 1344055385 /nfs/dbraw/zinc/05/53/85/1344055385.db2.gz PMWVUEWDTAAXCO-ZDMBXUJBSA-N 1 0 343.330 2.313 20 5 EEBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001576885197 1344071496 /nfs/dbraw/zinc/07/14/96/1344071496.db2.gz CJHCXOILCPMAND-KCJUWKMLSA-N 1 0 343.177 2.399 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001579179972 1344348720 /nfs/dbraw/zinc/34/87/20/1344348720.db2.gz KLERHSSMESXDGZ-UHTWSYAYSA-N 1 0 334.376 2.248 20 5 EEBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]([NH3+])C(C)C ZINC001579903817 1344430996 /nfs/dbraw/zinc/43/09/96/1344430996.db2.gz ZXWOHEFGKQCGEE-OAHLLOKOSA-N 1 0 346.435 2.157 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(C1)CC[NH2+]C2 ZINC001580565384 1344537688 /nfs/dbraw/zinc/53/76/88/1344537688.db2.gz XSOMGRISJDLTML-UHFFFAOYSA-N 1 0 341.820 2.162 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCCO1 ZINC001589518973 1349000154 /nfs/dbraw/zinc/00/01/54/1349000154.db2.gz WDARPRMWTILYIW-HNNXBMFYSA-N 1 0 346.391 2.022 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589629457 1349013852 /nfs/dbraw/zinc/01/38/52/1349013852.db2.gz AZFVHMZCDCBLMJ-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001589712192 1349021955 /nfs/dbraw/zinc/02/19/55/1349021955.db2.gz OZFZCFHYISFITJ-UHFFFAOYSA-N 1 0 345.407 2.084 20 5 EEBDRO CC1CC[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590271620 1349243561 /nfs/dbraw/zinc/24/35/61/1349243561.db2.gz JITWHDOYJIPWDR-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[C@H]1CSCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603949164 1350812064 /nfs/dbraw/zinc/81/20/64/1350812064.db2.gz YBHMVWAHJXMOSF-JTQLQIEISA-N 1 0 334.405 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000852713558 1369296038 /nfs/dbraw/zinc/29/60/38/1369296038.db2.gz KHDYJCFBPXCBJZ-HOTGVXAUSA-N 1 0 338.310 2.230 20 5 EEBDRO C[N@H+](C[C@H]1CC1(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853628183 1369361103 /nfs/dbraw/zinc/36/11/03/1369361103.db2.gz OXBDCWLSKOHOFT-GFCCVEGCSA-N 1 0 346.387 2.299 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2nccc(C)c2[N+](=O)[O-])CCC1 ZINC001111811495 1371259818 /nfs/dbraw/zinc/25/98/18/1371259818.db2.gz XAOZKBNFWIRSBS-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122008113 1371939999 /nfs/dbraw/zinc/93/99/99/1371939999.db2.gz URBMULKUNVZUFS-IAGOWNOFSA-N 1 0 325.368 2.473 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896301 1372573872 /nfs/dbraw/zinc/57/38/72/1372573872.db2.gz KKOWYQNOZRECBW-BNLOLNQZSA-N 1 0 345.403 2.481 20 5 EEBDRO CCc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001754197055 1406862435 /nfs/dbraw/zinc/86/24/35/1406862435.db2.gz NKFDTMSGDWWZTH-WAYWQWQTSA-N 1 0 344.371 2.221 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001576469410 1403575959 /nfs/dbraw/zinc/57/59/59/1403575959.db2.gz NRLFQECWODPFSD-QGZVFWFLSA-N 1 0 346.431 2.243 20 5 EEBDRO C[C@@H]1C[C@H](CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001576599199 1403589439 /nfs/dbraw/zinc/58/94/39/1403589439.db2.gz QODWPCSTWLSUJW-PBFPGSCMSA-N 1 0 335.404 2.090 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165842758 1405717555 /nfs/dbraw/zinc/71/75/55/1405717555.db2.gz KUFMDRBGYWIBQN-BDAKNGLRSA-N 1 0 329.198 2.234 20 5 EEBDRO CCn1ccnc1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001751987713 1406164247 /nfs/dbraw/zinc/16/42/47/1406164247.db2.gz NOEYYMIYLDBWLN-UHFFFAOYSA-N 1 0 345.403 2.063 20 5 EEBDRO Nc1cc(N2CC3(CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001167070358 757127554 /nfs/dbraw/zinc/12/75/54/757127554.db2.gz RDYBZPYBPWIYOU-UHFFFAOYSA-N 1 0 325.372 2.345 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954008 790773740 /nfs/dbraw/zinc/77/37/40/790773740.db2.gz FGIBZKXROSXYFM-AQUOVQTQSA-N 1 0 341.795 2.324 20 5 EEBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000843354538 783750424 /nfs/dbraw/zinc/75/04/24/783750424.db2.gz AVRJMRJUFTUTFH-UHFFFAOYSA-N 1 0 328.800 2.103 20 5 EEBDRO C[C@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000817277776 784655682 /nfs/dbraw/zinc/65/56/82/784655682.db2.gz MLVFVLNKMCUTSM-RYUDHWBXSA-N 1 0 339.367 2.013 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1nccc(C)c1[N+](=O)[O-] ZINC001107275242 786686144 /nfs/dbraw/zinc/68/61/44/786686144.db2.gz QZTYOLXLEAWPLQ-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO C[NH+](C)C1(C(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001107379916 787071235 /nfs/dbraw/zinc/07/12/35/787071235.db2.gz OXMBBAIBYNCRMV-ARJAWSKDSA-N 1 0 332.404 2.163 20 5 EEBDRO O=C(c1cc(F)c[nH]1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996815934 787636692 /nfs/dbraw/zinc/63/66/92/787636692.db2.gz GDGOZCNMECDBDC-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO CO[C@H]1COCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824708967 788282677 /nfs/dbraw/zinc/28/26/77/788282677.db2.gz LOPHGJOZVHDFMH-KSSFIOAISA-N 1 0 349.431 2.205 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847148 788336161 /nfs/dbraw/zinc/33/61/61/788336161.db2.gz WQTFYKHHTGISLI-GDBMZVCRSA-N 1 0 335.360 2.390 20 5 EEBDRO O=C(c1nccs1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997111678 788861892 /nfs/dbraw/zinc/86/18/92/788861892.db2.gz PXCSHLIRONHEQQ-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000173469560 791858501 /nfs/dbraw/zinc/85/85/01/791858501.db2.gz UERWRDMERZMJFL-HNNXBMFYSA-N 1 0 344.419 2.227 20 5 EEBDRO CCOc1cnc(N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171388884 794494075 /nfs/dbraw/zinc/49/40/75/794494075.db2.gz CMQPPCSSTKEQJV-NSHDSACASA-N 1 0 330.344 2.246 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CCCC[NH+]1CCCC1 ZINC001093704465 795580888 /nfs/dbraw/zinc/58/08/88/795580888.db2.gz PMCMGFFESRYFHZ-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1ccc(CC[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001001400574 796820416 /nfs/dbraw/zinc/82/04/16/796820416.db2.gz VBIHXUOTKJBUPA-QZTJIDSGSA-N 1 0 345.443 2.031 20 5 EEBDRO Cc1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)ncc1[N+](=O)[O-] ZINC001212666164 797011788 /nfs/dbraw/zinc/01/17/88/797011788.db2.gz ZTYUSPKYCLCPCO-UHFFFAOYSA-N 1 0 338.327 2.056 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnco1 ZINC001001693090 797119470 /nfs/dbraw/zinc/11/94/70/797119470.db2.gz STGLKLFTMHLILK-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO O=C1CCCN1CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898923 797128508 /nfs/dbraw/zinc/12/85/08/797128508.db2.gz QPHSEXPQQBPFAA-INIZCTEOSA-N 1 0 331.416 2.444 20 5 EEBDRO CCOC(=O)CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172899745 797129135 /nfs/dbraw/zinc/12/91/35/797129135.db2.gz CECBXAVEWKSAAM-HNNXBMFYSA-N 1 0 348.399 2.154 20 5 EEBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902118 797130549 /nfs/dbraw/zinc/13/05/49/797130549.db2.gz VLTWOGTZOUOZPY-IIAWOOMASA-N 1 0 338.429 2.007 20 5 EEBDRO O=C1CC[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCN12 ZINC001172912548 797170692 /nfs/dbraw/zinc/17/06/92/797170692.db2.gz BPHFMCLEBCCHFL-DOTOQJQBSA-N 1 0 329.400 2.149 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3[C@@H]4COC[C@@H]43)CC2)c(F)c1 ZINC001173006873 797194775 /nfs/dbraw/zinc/19/47/75/797194775.db2.gz BGLJIUCAHNMBQU-JYAVWHMHSA-N 1 0 339.342 2.076 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3(F)COC3)CC2)c(F)c1 ZINC001173009818 797195268 /nfs/dbraw/zinc/19/52/68/797195268.db2.gz CSADCBCDPOEOEK-UHFFFAOYSA-N 1 0 345.321 2.170 20 5 EEBDRO C[C@@]1(O)CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009601 797195376 /nfs/dbraw/zinc/19/53/76/797195376.db2.gz FEAYIOVWUFDPBM-MRXNPFEDSA-N 1 0 341.358 2.299 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2OC)c1F ZINC001173188956 797281379 /nfs/dbraw/zinc/28/13/79/797281379.db2.gz MNGQVBWFQBLYLL-JVLSTEMRSA-N 1 0 342.367 2.067 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095229919 797560413 /nfs/dbraw/zinc/56/04/13/797560413.db2.gz XLBYBCDYQXHPHF-UHFFFAOYSA-N 1 0 334.420 2.338 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cc3ccccc3o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782708 798604706 /nfs/dbraw/zinc/60/47/06/798604706.db2.gz OCVOARMCUBMHDC-HZPDHXFCSA-N 1 0 343.383 2.179 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001110253085 801053472 /nfs/dbraw/zinc/05/34/72/801053472.db2.gz IVMJYTXBGHBLPO-UHFFFAOYSA-N 1 0 346.431 2.448 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110317211 801241844 /nfs/dbraw/zinc/24/18/44/801241844.db2.gz GERUZTOYFLOXNI-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO Cc1ocnc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086039995 801997454 /nfs/dbraw/zinc/99/74/54/801997454.db2.gz POVQWOQBRNLIGO-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1cnoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086243186 802583380 /nfs/dbraw/zinc/58/33/80/802583380.db2.gz XAHXCIAYDISLBR-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC001086291759 802679445 /nfs/dbraw/zinc/67/94/45/802679445.db2.gz VZRVECMNPMVOEY-HDJSIYSDSA-N 1 0 329.356 2.486 20 5 EEBDRO CCCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086363382 802829542 /nfs/dbraw/zinc/82/95/42/802829542.db2.gz QUFLPLLZLMIDJD-BRSBDYLESA-N 1 0 345.443 2.289 20 5 EEBDRO COc1cc([N+](=O)[O-])c(-n2cnc(C)c2CSCC[NH3+])cc1F ZINC001168790823 803341042 /nfs/dbraw/zinc/34/10/42/803341042.db2.gz VHTNGAHDEZXVAD-UHFFFAOYSA-N 1 0 340.380 2.429 20 5 EEBDRO Cc1conc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086527794 803414898 /nfs/dbraw/zinc/41/48/98/803414898.db2.gz HROCXCKKKJHGMF-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168981211 803545233 /nfs/dbraw/zinc/54/52/33/803545233.db2.gz GUADPNAPTDWSSK-KGLIPLIRSA-N 1 0 326.418 2.015 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168982877 803546935 /nfs/dbraw/zinc/54/69/35/803546935.db2.gz JDWONMKHHPJIDF-XUXIUFHCSA-N 1 0 327.425 2.467 20 5 EEBDRO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168964720 803552140 /nfs/dbraw/zinc/55/21/40/803552140.db2.gz VLAODZRRQRYGEA-ZOBORPQBSA-N 1 0 327.425 2.419 20 5 EEBDRO COc1cccnc1C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997563 803563538 /nfs/dbraw/zinc/56/35/38/803563538.db2.gz DLNUBCORKZLAOD-HUUCEWRRSA-N 1 0 349.431 2.173 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991336 803574551 /nfs/dbraw/zinc/57/45/51/803574551.db2.gz GJAQLWUQMBTDBL-WQVCFCJDSA-N 1 0 335.379 2.075 20 5 EEBDRO O=C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1c1ccsc1 ZINC001169026952 803592328 /nfs/dbraw/zinc/59/23/28/803592328.db2.gz ZJAFVKHNKNKCIC-NZBPQXDJSA-N 1 0 335.429 2.373 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169057875 803598253 /nfs/dbraw/zinc/59/82/53/803598253.db2.gz YNQKHLSZLPKPLN-DZUCGIPZSA-N 1 0 332.400 2.320 20 5 EEBDRO COCCC(C)(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001169850539 804122445 /nfs/dbraw/zinc/12/24/45/804122445.db2.gz YHKGAVQWBVCMNZ-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504350 807554604 /nfs/dbraw/zinc/55/46/04/807554604.db2.gz CJRFWQUAOWPHEW-JSGCOSHPSA-N 1 0 331.372 2.268 20 5 EEBDRO 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ICMYDELTJDITQE-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO CC(C)[NH+](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000079339560 201205462 /nfs/dbraw/zinc/20/54/62/201205462.db2.gz RAYFWDMURWPJAG-UHFFFAOYSA-N 1 0 336.436 2.266 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000264701460 201212436 /nfs/dbraw/zinc/21/24/36/201212436.db2.gz FBHPOKQFMUJDID-NSHDSACASA-N 1 0 332.326 2.271 20 5 EEBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421857460 240033667 /nfs/dbraw/zinc/03/36/67/240033667.db2.gz OPMKEQRLYVYSMS-TUVASFSCSA-N 1 0 349.435 2.156 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422624281 240162329 /nfs/dbraw/zinc/16/23/29/240162329.db2.gz YWAVJPOOGYZFKZ-UHFFFAOYSA-N 1 0 328.800 2.217 20 5 EEBDRO Cc1c(CC(=O)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000422732266 240199484 /nfs/dbraw/zinc/19/94/84/240199484.db2.gz NVDDEQLZJJKGQD-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO 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2.284 20 5 EEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000154216509 224220491 /nfs/dbraw/zinc/22/04/91/224220491.db2.gz XCXVIAOTWZOCGI-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000269202766 255544372 /nfs/dbraw/zinc/54/43/72/255544372.db2.gz KUOWZFVOYOKKIW-DOMZBBRYSA-N 1 0 332.404 2.004 20 5 EEBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000270857317 256180302 /nfs/dbraw/zinc/18/03/02/256180302.db2.gz HSPVKFURXAHWBS-JTNHKYCSSA-N 1 0 332.360 2.409 20 5 EEBDRO C[C@@H]1COc2ccccc2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000273042962 256259992 /nfs/dbraw/zinc/25/99/92/256259992.db2.gz XGBXYWYLKAORLN-GFCCVEGCSA-N 1 0 341.367 2.477 20 5 EEBDRO C[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@H]1C1CC1 ZINC000273071103 256262661 /nfs/dbraw/zinc/26/26/61/256262661.db2.gz OJLDAUVQKXUVNN-ZWKOTPCHSA-N 1 0 345.399 2.031 20 5 EEBDRO COC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000273163936 256272124 /nfs/dbraw/zinc/27/21/24/256272124.db2.gz AWNXFJOJZVJWRS-UHFFFAOYSA-N 1 0 325.340 2.173 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274031255 256347657 /nfs/dbraw/zinc/34/76/57/256347657.db2.gz NURWSSQCMNVCLN-VHSXEESVSA-N 1 0 327.768 2.201 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273483864 256300494 /nfs/dbraw/zinc/30/04/94/256300494.db2.gz JJSDGLYYQIHTJO-HUUCEWRRSA-N 1 0 335.429 2.247 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274076289 256352102 /nfs/dbraw/zinc/35/21/02/256352102.db2.gz RXHXYUVEXOREFE-RYUDHWBXSA-N 1 0 337.376 2.101 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)CC1 ZINC000277050748 256492764 /nfs/dbraw/zinc/49/27/64/256492764.db2.gz CKFOBQBDGFXRCE-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188015006 533448377 /nfs/dbraw/zinc/44/83/77/533448377.db2.gz FMCOIMFTAJOBRN-WOSRLPQWSA-N 1 0 335.404 2.453 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000111352905 142358278 /nfs/dbraw/zinc/35/82/78/142358278.db2.gz BEZWBYXOMAEJPH-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475309 142360747 /nfs/dbraw/zinc/36/07/47/142360747.db2.gz LIBTUJKPNXKFIA-INIZCTEOSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1ccc(OCC[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351638850 286346290 /nfs/dbraw/zinc/34/62/90/286346290.db2.gz YOBFDGRKOJAGEN-ZIAGYGMSSA-N 1 0 338.404 2.465 20 5 EEBDRO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000359438221 153361804 /nfs/dbraw/zinc/36/18/04/153361804.db2.gz LWXRKEWAMQSWLG-UHFFFAOYSA-N 1 0 332.385 2.322 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000374295007 154035459 /nfs/dbraw/zinc/03/54/59/154035459.db2.gz LKTICSUQHROETL-SJORKVTESA-N 1 0 325.368 2.422 20 5 EEBDRO Cc1c([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000128064044 292335380 /nfs/dbraw/zinc/33/53/80/292335380.db2.gz XEVJBKMAVLLYHI-GJZGRUSLSA-N 1 0 348.447 2.141 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251843940 160390834 /nfs/dbraw/zinc/39/08/34/160390834.db2.gz MYUVKZGKAZOVBW-CAPXZKIUSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCCO)C1CC1 ZINC000118844742 159368282 /nfs/dbraw/zinc/36/82/82/159368282.db2.gz HRERZSHEMJCIIS-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO COc1cc(CNCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000342179436 161046088 /nfs/dbraw/zinc/04/60/88/161046088.db2.gz YMADETNEDTUBDS-UHFFFAOYSA-N 1 0 331.319 2.176 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000342451452 161066407 /nfs/dbraw/zinc/06/64/07/161066407.db2.gz PIYJGCPWDQAUPA-UKRRQHHQSA-N 1 0 342.399 2.326 20 5 EEBDRO CS[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000342707297 161084555 /nfs/dbraw/zinc/08/45/55/161084555.db2.gz YMOWRJQUNDEOIL-VHSXEESVSA-N 1 0 339.446 2.081 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343267661 161118489 /nfs/dbraw/zinc/11/84/89/161118489.db2.gz SSABHHWTDFTSFM-VXGBXAGGSA-N 1 0 328.372 2.433 20 5 EEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000343617444 161151785 /nfs/dbraw/zinc/15/17/85/161151785.db2.gz KNKZNDBZJCLJRP-LLVKDONJSA-N 1 0 338.360 2.235 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000345017028 161264134 /nfs/dbraw/zinc/26/41/34/161264134.db2.gz RMLTUFFUZLXRCH-UONOGXRCSA-N 1 0 335.404 2.271 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@@H]1O ZINC000352668136 162237223 /nfs/dbraw/zinc/23/72/23/162237223.db2.gz PXJRZEZPDQVSCV-OLZOCXBDSA-N 1 0 327.768 2.032 20 5 EEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000353004326 162385926 /nfs/dbraw/zinc/38/59/26/162385926.db2.gz LUFVJRUZVNGCDV-UHFFFAOYSA-N 1 0 349.387 2.307 20 5 EEBDRO Cc1nnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000353565312 162611793 /nfs/dbraw/zinc/61/17/93/162611793.db2.gz BELHRBFPAXFWLH-VXGBXAGGSA-N 1 0 336.421 2.267 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000354580410 162916135 /nfs/dbraw/zinc/91/61/35/162916135.db2.gz TXZVMQQHZVXGEC-KBPBESRZSA-N 1 0 327.388 2.484 20 5 EEBDRO COc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354981483 163040576 /nfs/dbraw/zinc/04/05/76/163040576.db2.gz OHXVIBUUCPFECT-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000355342062 163153312 /nfs/dbraw/zinc/15/33/12/163153312.db2.gz PBFVIMAZBLKUIJ-KRWDZBQOSA-N 1 0 341.367 2.414 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359068754 164051058 /nfs/dbraw/zinc/05/10/58/164051058.db2.gz WQHGNFNJIRDUMY-OAHLLOKOSA-N 1 0 334.420 2.306 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000359204497 164082093 /nfs/dbraw/zinc/08/20/93/164082093.db2.gz DSRBWHSFUUQXDN-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819651 164385259 /nfs/dbraw/zinc/38/52/59/164385259.db2.gz SXBZUXSTAAXMIK-WBMJQRKESA-N 1 0 328.372 2.173 20 5 EEBDRO COc1cc(C[N@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000361653451 164481100 /nfs/dbraw/zinc/48/11/00/164481100.db2.gz IBEJPKNJNZTWNH-MWLCHTKSSA-N 1 0 346.330 2.265 20 5 EEBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000369407345 166254333 /nfs/dbraw/zinc/25/43/33/166254333.db2.gz GQKONDNUNAEAQO-JKIFEVAISA-N 1 0 336.388 2.242 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374095537 167017389 /nfs/dbraw/zinc/01/73/89/167017389.db2.gz ULJLJJLCCAJJCU-ZHALLVOQSA-N 1 0 343.427 2.166 20 5 EEBDRO O=C(C[NH2+]C1(C2CC2)CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375698898 167177873 /nfs/dbraw/zinc/17/78/73/167177873.db2.gz SXGAFACGDQIHRU-UHFFFAOYSA-N 1 0 345.399 2.033 20 5 EEBDRO COc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000274441088 269033657 /nfs/dbraw/zinc/03/36/57/269033657.db2.gz GTLNMPAMQSDULR-LBPRGKRZSA-N 1 0 340.399 2.180 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1OC ZINC000274973224 269080975 /nfs/dbraw/zinc/08/09/75/269080975.db2.gz WNRNJLSVLIIWGI-BNOWGMLFSA-N 1 0 346.330 2.478 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000278153507 269211462 /nfs/dbraw/zinc/21/14/62/269211462.db2.gz BPYADTDPQWZKIF-SNVBAGLBSA-N 1 0 328.294 2.459 20 5 EEBDRO CC(=O)c1ccc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000278845109 269246442 /nfs/dbraw/zinc/24/64/42/269246442.db2.gz WQIXNBWCINJOIV-ZDUSSCGKSA-N 1 0 347.415 2.487 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280196537 269337681 /nfs/dbraw/zinc/33/76/81/269337681.db2.gz PKISIDXXJXZPQB-SNVBAGLBSA-N 1 0 329.759 2.140 20 5 EEBDRO O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000280382098 269358068 /nfs/dbraw/zinc/35/80/68/269358068.db2.gz ZXWKVNSUENHOEC-UHFFFAOYSA-N 1 0 341.314 2.188 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271787476 274152213 /nfs/dbraw/zinc/15/22/13/274152213.db2.gz KXKJEYMNKUBFFM-NEPJUHHUSA-N 1 0 343.836 2.366 20 5 EEBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000274429769 274194460 /nfs/dbraw/zinc/19/44/60/274194460.db2.gz NMVJTDPPHQRCIL-FRRDWIJNSA-N 1 0 334.420 2.154 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195512025 274316274 /nfs/dbraw/zinc/31/62/74/274316274.db2.gz VUGNWTQTUPHQFA-BETUJISGSA-N 1 0 339.465 2.046 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CCO)CCOC3)o2)cc1 ZINC000278520246 274364147 /nfs/dbraw/zinc/36/41/47/274364147.db2.gz RWRRMJPOYFZQAY-QGZVFWFLSA-N 1 0 332.356 2.486 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)[C@@H](C)C[N@@H+]1CCO ZINC000419002698 274364329 /nfs/dbraw/zinc/36/43/29/274364329.db2.gz PWLLGJNQRNEWDB-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO C[NH+](C)C1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278527995 274365633 /nfs/dbraw/zinc/36/56/33/274365633.db2.gz ZSKAYDCSUAILHN-UHFFFAOYSA-N 1 0 333.436 2.001 20 5 EEBDRO CCOC1CC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000285479388 274738762 /nfs/dbraw/zinc/73/87/62/274738762.db2.gz CPTRGRPOHFNBGQ-UHFFFAOYSA-N 1 0 347.415 2.168 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CC2CC2)CC1 ZINC000049007539 275032950 /nfs/dbraw/zinc/03/29/50/275032950.db2.gz NEZZSJFDSJHSQJ-UHFFFAOYSA-N 1 0 341.209 2.284 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000288367041 275051098 /nfs/dbraw/zinc/05/10/98/275051098.db2.gz KZXVGWYXWYVDFV-UHFFFAOYSA-N 1 0 340.383 2.133 20 5 EEBDRO C[NH+](C)[C@]1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCSC1 ZINC000288446230 275059242 /nfs/dbraw/zinc/05/92/42/275059242.db2.gz PBLRAYMHUFTPFT-ZDUSSCGKSA-N 1 0 339.446 2.449 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000288451426 275059844 /nfs/dbraw/zinc/05/98/44/275059844.db2.gz ZACBZZPDTMWTFQ-TZMCWYRMSA-N 1 0 328.372 2.316 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000288976037 275093879 /nfs/dbraw/zinc/09/38/79/275093879.db2.gz UWGSXUMOEJPSNN-UHFFFAOYSA-N 1 0 348.407 2.067 20 5 EEBDRO Cc1cccnc1OC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000289462447 275118043 /nfs/dbraw/zinc/11/80/43/275118043.db2.gz WASUAKQGDXSWLL-UHFFFAOYSA-N 1 0 331.376 2.038 20 5 EEBDRO COc1cc(C[NH2+]CCc2cccnc2OC)c([N+](=O)[O-])cc1OC ZINC000289938327 275163441 /nfs/dbraw/zinc/16/34/41/275163441.db2.gz WRNGPBCTNYJVOC-UHFFFAOYSA-N 1 0 347.371 2.348 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290248991 275192419 /nfs/dbraw/zinc/19/24/19/275192419.db2.gz WEEJDCUWBYQTBS-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290788234 275239980 /nfs/dbraw/zinc/23/99/80/275239980.db2.gz XFOXNJKWJZNKCI-LLVKDONJSA-N 1 0 329.422 2.139 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291621993 275323843 /nfs/dbraw/zinc/32/38/43/275323843.db2.gz CTWJIVDHRQBRDB-RTBURBONSA-N 1 0 342.395 2.264 20 5 EEBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000291928763 275354707 /nfs/dbraw/zinc/35/47/07/275354707.db2.gz PBWLLPNTMKHTRN-SNVBAGLBSA-N 1 0 338.364 2.270 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173881733 276074710 /nfs/dbraw/zinc/07/47/10/276074710.db2.gz YPVHOXGZBWBGHM-UONOGXRCSA-N 1 0 334.420 2.195 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267364619 276847546 /nfs/dbraw/zinc/84/75/46/276847546.db2.gz WYVVQKVLDOUFHQ-CDVVCGDMSA-N 1 0 335.429 2.162 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000134100703 277294873 /nfs/dbraw/zinc/29/48/73/277294873.db2.gz LLAKRCVMWFGCFX-SNVBAGLBSA-N 1 0 331.294 2.438 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000160425261 288075422 /nfs/dbraw/zinc/07/54/22/288075422.db2.gz XRILTPLYYULVSY-RISCZKNCSA-N 1 0 332.404 2.256 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932785 288078965 /nfs/dbraw/zinc/07/89/65/288078965.db2.gz GUYXHVDVHOHSNR-BXUZGUMPSA-N 1 0 330.388 2.488 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)COC ZINC000271020808 280156498 /nfs/dbraw/zinc/15/64/98/280156498.db2.gz AJSKMNHMDGTVEL-QWHCGFSZSA-N 1 0 328.434 2.453 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000420808996 282047919 /nfs/dbraw/zinc/04/79/19/282047919.db2.gz BVKQGLHBWRKBQN-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000160157270 290453484 /nfs/dbraw/zinc/45/34/84/290453484.db2.gz PXXPVFJYCBCWKK-DZGCQCFKSA-N 1 0 346.431 2.394 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000293656713 293262365 /nfs/dbraw/zinc/26/23/65/293262365.db2.gz HKKJCNULKPCNPL-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO [NH3+]CCN(Cc1cnn(CC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000293953895 293336543 /nfs/dbraw/zinc/33/65/43/293336543.db2.gz PHVRGHNIRKHCDN-UHFFFAOYSA-N 1 0 325.319 2.022 20 5 EEBDRO Cc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000294073714 293363500 /nfs/dbraw/zinc/36/35/00/293363500.db2.gz YNPGYIJAPAEPGP-AWEZNQCLSA-N 1 0 326.418 2.160 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000294187267 293391534 /nfs/dbraw/zinc/39/15/34/293391534.db2.gz PJEBMYOGHXUAGK-SFHVURJKSA-N 1 0 347.415 2.226 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294215200 293397585 /nfs/dbraw/zinc/39/75/85/293397585.db2.gz QTKSRSVHDAHOQG-SFHVURJKSA-N 1 0 347.415 2.308 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000294848592 293560039 /nfs/dbraw/zinc/56/00/39/293560039.db2.gz NEFMYJXIRIFPDG-CYBMUJFWSA-N 1 0 332.404 2.431 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285810 293936689 /nfs/dbraw/zinc/93/66/89/293936689.db2.gz ZECZOMGRUAWERA-XFBWCDHKSA-N 1 0 335.404 2.207 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000296624317 294024467 /nfs/dbraw/zinc/02/44/67/294024467.db2.gz VFKCOUYUNXHBEU-HUUCEWRRSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301916604 294910503 /nfs/dbraw/zinc/91/05/03/294910503.db2.gz ADGHAYJJLGJFBV-VIFPVBQESA-N 1 0 349.478 2.448 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237611388 300957467 /nfs/dbraw/zinc/95/74/67/300957467.db2.gz QMZHVTYBQLCDCU-SNVBAGLBSA-N 1 0 347.824 2.059 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH+](C)C ZINC000331614025 311879793 /nfs/dbraw/zinc/87/97/93/311879793.db2.gz PMFLZYQQGSLDPH-GJZGRUSLSA-N 1 0 348.428 2.194 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332473834 312012680 /nfs/dbraw/zinc/01/26/80/312012680.db2.gz KUAVAVWRZAQBHK-CQSZACIVSA-N 1 0 332.404 2.012 20 5 EEBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413142400 312801075 /nfs/dbraw/zinc/80/10/75/312801075.db2.gz YSNPYUNJPQITHA-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CCOc1cc(NC(=O)N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414762204 313079696 /nfs/dbraw/zinc/07/96/96/313079696.db2.gz VMDHYYLTRQDXDQ-SNVBAGLBSA-N 1 0 340.380 2.203 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986858 313677857 /nfs/dbraw/zinc/67/78/57/313677857.db2.gz IPMLDJKQNKDUEJ-MNOVXSKESA-N 1 0 340.811 2.169 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418310027 313779671 /nfs/dbraw/zinc/77/96/71/313779671.db2.gz DBYKXFRGMIWESC-GOEBONIOSA-N 1 0 346.431 2.483 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420456350 313964444 /nfs/dbraw/zinc/96/44/44/313964444.db2.gz AESWGPPHNVYTSJ-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000421762735 314158111 /nfs/dbraw/zinc/15/81/11/314158111.db2.gz OCIOSKORAMUJGR-HNNXBMFYSA-N 1 0 349.431 2.394 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430565828 314547227 /nfs/dbraw/zinc/54/72/27/314547227.db2.gz GPCUQHPCXVWJKA-WDEREUQCSA-N 1 0 340.811 2.246 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000448822589 315388503 /nfs/dbraw/zinc/38/85/03/315388503.db2.gz LEOMGMUDRHWROQ-NSHDSACASA-N 1 0 339.367 2.204 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000514602161 316401421 /nfs/dbraw/zinc/40/14/21/316401421.db2.gz NFHUXGOQIXCQCT-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541983236 318120069 /nfs/dbraw/zinc/12/00/69/318120069.db2.gz OUHFYUXNQVUPRA-HNNXBMFYSA-N 1 0 329.356 2.165 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000546024365 318241534 /nfs/dbraw/zinc/24/15/34/318241534.db2.gz RTSOKCFHEGODAU-WBMJQRKESA-N 1 0 330.388 2.355 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000558259779 318704642 /nfs/dbraw/zinc/70/46/42/318704642.db2.gz XFMBCNPOQMFFEW-CHWSQXEVSA-N 1 0 326.418 2.379 20 5 EEBDRO CC[NH+]1C[C@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000561383412 318841463 /nfs/dbraw/zinc/84/14/63/318841463.db2.gz KOAVCSAUBRWRCN-STQMWFEESA-N 1 0 335.404 2.087 20 5 EEBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000564848742 319117897 /nfs/dbraw/zinc/11/78/97/319117897.db2.gz GICZKPJOLXPMIO-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2ccccc2F)c1 ZINC000566111684 319246431 /nfs/dbraw/zinc/24/64/31/319246431.db2.gz LMIFQIASJRJJKH-HNNXBMFYSA-N 1 0 334.347 2.306 20 5 EEBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000566117074 319247235 /nfs/dbraw/zinc/24/72/35/319247235.db2.gz LVBIIJMCNNTFHW-MRXNPFEDSA-N 1 0 330.384 2.475 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000569960824 319624673 /nfs/dbraw/zinc/62/46/73/319624673.db2.gz QGPOMOSEXDSCOF-OAHLLOKOSA-N 1 0 336.413 2.366 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000571895396 319797239 /nfs/dbraw/zinc/79/72/39/319797239.db2.gz SHVOEAFUAYXJQX-MRXNPFEDSA-N 1 0 347.415 2.199 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCCS1 ZINC000580829370 324136296 /nfs/dbraw/zinc/13/62/96/324136296.db2.gz ATBBXJIXFNMTCF-QWHCGFSZSA-N 1 0 326.418 2.210 20 5 EEBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000327320255 465050677 /nfs/dbraw/zinc/05/06/77/465050677.db2.gz JXORAYJTRHKKBC-HNNXBMFYSA-N 1 0 348.447 2.255 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339061127 465060077 /nfs/dbraw/zinc/06/00/77/465060077.db2.gz WMCGHAUYYAZSRV-SECBINFHSA-N 1 0 331.294 2.295 20 5 EEBDRO O=C(NCCNc1cc[nH+]cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000339086965 465074786 /nfs/dbraw/zinc/07/47/86/465074786.db2.gz QCMGQUKCEGMIEQ-UHFFFAOYSA-N 1 0 335.751 2.299 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)CC2(CO)CC2)c1 ZINC000341974589 465279479 /nfs/dbraw/zinc/27/94/79/465279479.db2.gz QVDBVCXAPOTZBX-UHFFFAOYSA-N 1 0 330.388 2.066 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000074041623 462546696 /nfs/dbraw/zinc/54/66/96/462546696.db2.gz XHOUJHQRSFQRHB-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000074317642 462586001 /nfs/dbraw/zinc/58/60/01/462586001.db2.gz PRMCJIBVNLAFHO-OAHLLOKOSA-N 1 0 331.416 2.328 20 5 EEBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+](C)C1CC1 ZINC000128349162 462631160 /nfs/dbraw/zinc/63/11/60/462631160.db2.gz YOMHECIDZARQFT-NSHDSACASA-N 1 0 330.388 2.218 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000128514554 462646848 /nfs/dbraw/zinc/64/68/48/462646848.db2.gz ACOOJRPLAODONQ-SNVBAGLBSA-N 1 0 327.381 2.500 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000115519626 462718282 /nfs/dbraw/zinc/71/82/82/462718282.db2.gz QJECFVONRSIMGH-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000115807714 462729548 /nfs/dbraw/zinc/72/95/48/462729548.db2.gz ARKSKJXFUQZDSK-HNNXBMFYSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000090182942 462784380 /nfs/dbraw/zinc/78/43/80/462784380.db2.gz VMPKMENQMOTDPJ-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000133350349 462921687 /nfs/dbraw/zinc/92/16/87/462921687.db2.gz UCTYALKKZVGMRE-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000590754506 468327328 /nfs/dbraw/zinc/32/73/28/468327328.db2.gz DRBDANXCKCFZET-OAHLLOKOSA-N 1 0 331.372 2.170 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000066924624 462947738 /nfs/dbraw/zinc/94/77/38/462947738.db2.gz NZZWVDAVQWFFSR-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000077966136 463075750 /nfs/dbraw/zinc/07/57/50/463075750.db2.gz NFOOILSWZDOCOB-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO C[NH+](C)C1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000134997757 463105675 /nfs/dbraw/zinc/10/56/75/463105675.db2.gz MUROGYOODGZPPE-UHFFFAOYSA-N 1 0 332.385 2.104 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000068386142 463129586 /nfs/dbraw/zinc/12/95/86/463129586.db2.gz VOKJEVTXNHKMOI-LLVKDONJSA-N 1 0 345.403 2.486 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122424083 463262987 /nfs/dbraw/zinc/26/29/87/463262987.db2.gz DJHUJYFSWRVQHB-ZIAGYGMSSA-N 1 0 335.404 2.132 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081363201 463425891 /nfs/dbraw/zinc/42/58/91/463425891.db2.gz IYIDPXFQDZDGCD-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCn1ccnc1 ZINC000124457286 463426261 /nfs/dbraw/zinc/42/62/61/463426261.db2.gz WJRVWHNWGLIMIJ-ZDUSSCGKSA-N 1 0 331.376 2.140 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000164071823 463613821 /nfs/dbraw/zinc/61/38/21/463613821.db2.gz JJTXGZNCAIYPSP-QMTHXVAHSA-N 1 0 339.342 2.429 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000043085838 463619242 /nfs/dbraw/zinc/61/92/42/463619242.db2.gz CYDYHXBYAJUJMQ-RYUDHWBXSA-N 1 0 345.403 2.464 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165811395 463647339 /nfs/dbraw/zinc/64/73/39/463647339.db2.gz ABBOUPUHRXCODI-JTQLQIEISA-N 1 0 343.225 2.497 20 5 EEBDRO Cc1c(Br)c(N2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165813896 463647801 /nfs/dbraw/zinc/64/78/01/463647801.db2.gz OJPSNFYYGJZDKF-SECBINFHSA-N 1 0 329.198 2.378 20 5 EEBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073854767 463663327 /nfs/dbraw/zinc/66/33/27/463663327.db2.gz YDAUSNGIENJXNL-CQSZACIVSA-N 1 0 328.372 2.317 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C2CCOCC2)CC1 ZINC000255872483 463750828 /nfs/dbraw/zinc/75/08/28/463750828.db2.gz OERXHKODQQHWBO-HYXAFXHYSA-N 1 0 331.416 2.405 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000287155871 463817100 /nfs/dbraw/zinc/81/71/00/463817100.db2.gz NQQJJNFTABAVDM-GJZGRUSLSA-N 1 0 346.431 2.116 20 5 EEBDRO CCOc1cc(-c2nc(C3([NH3+])CCC3)no2)c([N+](=O)[O-])cc1OC ZINC000261692396 463829137 /nfs/dbraw/zinc/82/91/37/463829137.db2.gz HPTUKCVFHXJUCX-UHFFFAOYSA-N 1 0 334.332 2.390 20 5 EEBDRO C[C@@]1(C[NH3+])CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733285 463842338 /nfs/dbraw/zinc/84/23/38/463842338.db2.gz JZKTVYSNHSZJTK-KRWDZBQOSA-N 1 0 330.388 2.463 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261768795 463853614 /nfs/dbraw/zinc/85/36/14/463853614.db2.gz MZJCSRCPKKPZOE-SNVBAGLBSA-N 1 0 342.359 2.196 20 5 EEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000261784891 463859194 /nfs/dbraw/zinc/85/91/94/463859194.db2.gz YFEQBIZJKOAJBS-RHSMWYFYSA-N 1 0 335.404 2.052 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCC[C@H](C)C1 ZINC000283432757 463883506 /nfs/dbraw/zinc/88/35/06/463883506.db2.gz JIQXJPGXBOIQMG-WDEREUQCSA-N 1 0 338.383 2.166 20 5 EEBDRO C[C@H]1CN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523097473 468383956 /nfs/dbraw/zinc/38/39/56/468383956.db2.gz AXOSAJJJJTVAGR-JTQLQIEISA-N 1 0 342.783 2.090 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269193366 463904783 /nfs/dbraw/zinc/90/47/83/463904783.db2.gz YPIJGOJODKZQMZ-VIFPVBQESA-N 1 0 331.294 2.295 20 5 EEBDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685611 463942943 /nfs/dbraw/zinc/94/29/43/463942943.db2.gz PDIBAMULJRWSGG-KGLIPLIRSA-N 1 0 337.420 2.485 20 5 EEBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262535292 464033386 /nfs/dbraw/zinc/03/33/86/464033386.db2.gz PIQGBPTVVSWVIY-RYUDHWBXSA-N 1 0 343.387 2.240 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971709 468388131 /nfs/dbraw/zinc/38/81/31/468388131.db2.gz HPPPSYAARYXLFA-DOMZBBRYSA-N 1 0 347.371 2.004 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000172328395 464054365 /nfs/dbraw/zinc/05/43/65/464054365.db2.gz QAVBHVUYCIHXSW-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H]2CC[NH2+]C2)CC1 ZINC000179098330 464055896 /nfs/dbraw/zinc/05/58/96/464055896.db2.gz WGJRHZRAZUVHET-HNNXBMFYSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000279243278 464076570 /nfs/dbraw/zinc/07/65/70/464076570.db2.gz KJAHKRGWUNNUQW-CJNGLKHVSA-N 1 0 335.404 2.373 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186970330 464085127 /nfs/dbraw/zinc/08/51/27/464085127.db2.gz MMGRNOIEHIXMJO-MRXNPFEDSA-N 1 0 346.431 2.116 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000269783487 464092341 /nfs/dbraw/zinc/09/23/41/464092341.db2.gz HDAQIDQQBYGMTD-UONOGXRCSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3CCO)n2)c1 ZINC000279373621 464094274 /nfs/dbraw/zinc/09/42/74/464094274.db2.gz XGMGSTPPFMNYOQ-FZMZJTMJSA-N 1 0 332.360 2.286 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263801055 464196792 /nfs/dbraw/zinc/19/67/92/464196792.db2.gz KTMHWCPZWDSEGE-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO Cn1cc(C[NH2+]C[C@H]2CCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237081877 464262610 /nfs/dbraw/zinc/26/26/10/464262610.db2.gz IFULCCYWOMPPDI-MRXNPFEDSA-N 1 0 329.404 2.179 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237508951 464331546 /nfs/dbraw/zinc/33/15/46/464331546.db2.gz PDDNFYORXMCKCR-NHCYSSNCSA-N 1 0 341.795 2.354 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237568572 464341062 /nfs/dbraw/zinc/34/10/62/464341062.db2.gz SDLAJKZQNNHEIK-BLLLJJGKSA-N 1 0 343.387 2.122 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000174167515 464371189 /nfs/dbraw/zinc/37/11/89/464371189.db2.gz XZARPRDEHMFJOO-LBPRGKRZSA-N 1 0 331.376 2.027 20 5 EEBDRO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000181412108 464487313 /nfs/dbraw/zinc/48/73/13/464487313.db2.gz AQKGUABLTGMQTR-ZDUSSCGKSA-N 1 0 326.303 2.047 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181629417 464515376 /nfs/dbraw/zinc/51/53/76/464515376.db2.gz VRNNLPOAHXRTFZ-WCQYABFASA-N 1 0 349.435 2.020 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272208090 464518255 /nfs/dbraw/zinc/51/82/55/464518255.db2.gz PTRNUODGJDRUNL-PXAZEXFGSA-N 1 0 344.415 2.017 20 5 EEBDRO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000245947440 464530151 /nfs/dbraw/zinc/53/01/51/464530151.db2.gz RZFNHBORBBDEAE-XUJVJEKNSA-N 1 0 331.372 2.205 20 5 EEBDRO CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000265464566 464568988 /nfs/dbraw/zinc/56/89/88/464568988.db2.gz YGNBQATWAXDAFP-INIZCTEOSA-N 1 0 337.376 2.163 20 5 EEBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190042144 464590780 /nfs/dbraw/zinc/59/07/80/464590780.db2.gz LOBURDYXSBWMEO-UONOGXRCSA-N 1 0 325.434 2.410 20 5 EEBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265522500 464591267 /nfs/dbraw/zinc/59/12/67/464591267.db2.gz MHOBKOAEFDSQDM-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO CSCC[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182179881 464591803 /nfs/dbraw/zinc/59/18/03/464591803.db2.gz PZCHCIDKDJUVPM-OLZOCXBDSA-N 1 0 328.434 2.408 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000285517071 464593006 /nfs/dbraw/zinc/59/30/06/464593006.db2.gz NYPKIDKXSRINDL-HNNXBMFYSA-N 1 0 332.404 2.365 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272563466 464661267 /nfs/dbraw/zinc/66/12/67/464661267.db2.gz PXKJUHNIYGRLBU-UHFFFAOYSA-N 1 0 337.405 2.061 20 5 EEBDRO CC1CC[NH+](C[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000176245620 464731280 /nfs/dbraw/zinc/73/12/80/464731280.db2.gz OWPCEWJYOSXRKM-INIZCTEOSA-N 1 0 335.452 2.235 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249712589 464905671 /nfs/dbraw/zinc/90/56/71/464905671.db2.gz YZHSBIIIBLSJHZ-BXUZGUMPSA-N 1 0 335.404 2.324 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000267032560 464910110 /nfs/dbraw/zinc/91/01/10/464910110.db2.gz BLGLWDVWFOBINV-QGZVFWFLSA-N 1 0 330.388 2.237 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000282787551 464949235 /nfs/dbraw/zinc/94/92/35/464949235.db2.gz PIVOPEVZRAXZDM-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO CCOC(=O)c1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000268198590 464968780 /nfs/dbraw/zinc/96/87/80/464968780.db2.gz OBNXPLYMWDBUQV-UHFFFAOYSA-N 1 0 333.388 2.446 20 5 EEBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000282927756 465004254 /nfs/dbraw/zinc/00/42/54/465004254.db2.gz ZRGLSVOUDAYDAC-ZDUSSCGKSA-N 1 0 334.420 2.261 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593913248 468430577 /nfs/dbraw/zinc/43/05/77/468430577.db2.gz UPOAIVCPEZGKOX-OFQRWUPVSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH+]1C ZINC000339624228 465398768 /nfs/dbraw/zinc/39/87/68/465398768.db2.gz XUFPSEWAKPPDMQ-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000342940725 465402721 /nfs/dbraw/zinc/40/27/21/465402721.db2.gz UNNNILFNDJMQGE-ZDUSSCGKSA-N 1 0 336.411 2.339 20 5 EEBDRO COc1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759063 465494059 /nfs/dbraw/zinc/49/40/59/465494059.db2.gz PLVUDGZBJGIECW-SJORKVTESA-N 1 0 336.388 2.013 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339762091 465495102 /nfs/dbraw/zinc/49/51/02/465495102.db2.gz IUBHFAWYAYBADF-DLBZAZTESA-N 1 0 336.388 2.013 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824291 465534192 /nfs/dbraw/zinc/53/41/92/465534192.db2.gz FKNUUSQBHZYHBW-NVXWUHKLSA-N 1 0 338.404 2.081 20 5 EEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000360232689 465545065 /nfs/dbraw/zinc/54/50/65/465545065.db2.gz CHQGWIITVOPKNL-LBPRGKRZSA-N 1 0 349.412 2.354 20 5 EEBDRO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298996808 465559437 /nfs/dbraw/zinc/55/94/37/465559437.db2.gz RJCLOYFQDQXGIH-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1CC(F)(F)C1 ZINC000579944176 468439610 /nfs/dbraw/zinc/43/96/10/468439610.db2.gz BAWLKGOEBAAXLY-GFCCVEGCSA-N 1 0 330.331 2.360 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357040410 465720834 /nfs/dbraw/zinc/72/08/34/465720834.db2.gz PJONALVDDIYJFE-ZDUSSCGKSA-N 1 0 345.403 2.226 20 5 EEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335466 465724420 /nfs/dbraw/zinc/72/44/20/465724420.db2.gz LFBSKENRBRUMOE-RDJZCZTQSA-N 1 0 330.388 2.416 20 5 EEBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000569184503 468450517 /nfs/dbraw/zinc/45/05/17/468450517.db2.gz PNNNKQBWCZAGLW-INIZCTEOSA-N 1 0 347.415 2.210 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361119417 465777824 /nfs/dbraw/zinc/77/78/24/465777824.db2.gz IQWMKRLTAMLGRW-NHYWBVRUSA-N 1 0 335.335 2.219 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000348769814 465779565 /nfs/dbraw/zinc/77/95/65/465779565.db2.gz JMLSBHHQTIQDLK-KFWWJZLASA-N 1 0 349.431 2.456 20 5 EEBDRO CC(C)(NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000362551805 465823263 /nfs/dbraw/zinc/82/32/63/465823263.db2.gz JJPKYHRHFUITBC-LLVKDONJSA-N 1 0 343.387 2.060 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000593995828 468455526 /nfs/dbraw/zinc/45/55/26/468455526.db2.gz AHQZAXSIJKDULN-KRWDZBQOSA-N 1 0 349.431 2.160 20 5 EEBDRO Cc1c(Br)c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000362661232 465920093 /nfs/dbraw/zinc/92/00/93/465920093.db2.gz CUGUTDWRSFBDAM-UWVGGRQHSA-N 1 0 341.209 2.059 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000353498048 465932579 /nfs/dbraw/zinc/93/25/79/465932579.db2.gz RDIBCNSIHPHDEO-WMLDXEAASA-N 1 0 341.415 2.244 20 5 EEBDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000349057690 465943607 /nfs/dbraw/zinc/94/36/07/465943607.db2.gz RONWMKKEUAAKCC-ZDUSSCGKSA-N 1 0 326.356 2.367 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346176629 465963837 /nfs/dbraw/zinc/96/38/37/465963837.db2.gz KDXZHWCYMHLWEZ-VBQJREDUSA-N 1 0 347.415 2.162 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000591446281 468471477 /nfs/dbraw/zinc/47/14/77/468471477.db2.gz YVGAETALLGFROI-KBXCAEBGSA-N 1 0 346.431 2.286 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302660403 466162953 /nfs/dbraw/zinc/16/29/53/466162953.db2.gz AVYFQNQEYVMYDK-NWDGAFQWSA-N 1 0 336.392 2.309 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000357808501 466228802 /nfs/dbraw/zinc/22/88/02/466228802.db2.gz OYCOZCJPAAZFJM-NSHDSACASA-N 1 0 333.392 2.776 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](CCO)C3)o2)c1 ZINC000357813956 466233082 /nfs/dbraw/zinc/23/30/82/466233082.db2.gz JBWKZWBHMQPPHW-CYBMUJFWSA-N 1 0 331.372 2.497 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363122805 466233040 /nfs/dbraw/zinc/23/30/40/466233040.db2.gz SZEQJLGOVLSSEZ-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000591530382 468479893 /nfs/dbraw/zinc/47/98/93/468479893.db2.gz PDWRVHGJSADAFE-OAHLLOKOSA-N 1 0 347.415 2.195 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000331911010 466303143 /nfs/dbraw/zinc/30/31/43/466303143.db2.gz GCSGGHWYIIXBTN-INIZCTEOSA-N 1 0 330.388 2.488 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCO3)o2)c([N+](=O)[O-])c1 ZINC000338715423 466330569 /nfs/dbraw/zinc/33/05/69/466330569.db2.gz DWKWCBMAMMXUOB-CQSZACIVSA-N 1 0 348.355 2.368 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000332051131 466362485 /nfs/dbraw/zinc/36/24/85/466362485.db2.gz NAGXOGBRMZNQCX-TZMCWYRMSA-N 1 0 330.388 2.148 20 5 EEBDRO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000338817613 466401831 /nfs/dbraw/zinc/40/18/31/466401831.db2.gz ASAFFFVVZJVJEZ-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO NC(=O)c1ccc(CN(CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000310594444 466516421 /nfs/dbraw/zinc/51/64/21/466516421.db2.gz PNEDONYZAFSFPR-UHFFFAOYSA-N 1 0 342.399 2.045 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000358195156 466531417 /nfs/dbraw/zinc/53/14/17/466531417.db2.gz CHDIPWIZEIXGAD-CJNGLKHVSA-N 1 0 347.415 2.334 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000347299431 466546897 /nfs/dbraw/zinc/54/68/97/466546897.db2.gz JJUFOOUOLAAFMI-CQSZACIVSA-N 1 0 342.396 2.293 20 5 EEBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591685938 468502999 /nfs/dbraw/zinc/50/29/99/468502999.db2.gz BZIGYBUQGWHCPP-IUCAKERBSA-N 1 0 335.257 2.043 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1ccnc1-c1cccnc1 ZINC000373267241 466747846 /nfs/dbraw/zinc/74/78/46/466747846.db2.gz JRMIJVZBCHKCBA-CQSZACIVSA-N 1 0 340.339 2.293 20 5 EEBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[NH2+]C1 ZINC000423524339 466765976 /nfs/dbraw/zinc/76/59/76/466765976.db2.gz OHOYRUVUICPMLK-QGZVFWFLSA-N 1 0 328.372 2.263 20 5 EEBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000375712184 466868908 /nfs/dbraw/zinc/86/89/08/466868908.db2.gz RCFHVORWMVLKSL-GFCCVEGCSA-N 1 0 345.359 2.301 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000417714486 466915724 /nfs/dbraw/zinc/91/57/24/466915724.db2.gz HPECYHSVSMNDPO-ZIAGYGMSSA-N 1 0 334.420 2.309 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000411973257 466953090 /nfs/dbraw/zinc/95/30/90/466953090.db2.gz WZTNOFMIODDKLQ-MRXNPFEDSA-N 1 0 331.397 2.285 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)[C@H]3CCCOC3)co2)cc1 ZINC000411998204 466963937 /nfs/dbraw/zinc/96/39/37/466963937.db2.gz VQMMAASILXTKEP-XJKSGUPXSA-N 1 0 347.371 2.127 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417988437 467012509 /nfs/dbraw/zinc/01/25/09/467012509.db2.gz KBGSYMHMQRPNNB-CYBMUJFWSA-N 1 0 342.827 2.463 20 5 EEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cnccc1-n1ccnn1 ZINC000377441417 467059631 /nfs/dbraw/zinc/05/96/31/467059631.db2.gz HECCHFCFLBDUAJ-SNAWJCMRSA-N 1 0 336.311 2.222 20 5 EEBDRO O=C(c1ccc(O)cc1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000377960269 467171816 /nfs/dbraw/zinc/17/18/16/467171816.db2.gz KLOHPQJWSMAPHA-UHFFFAOYSA-N 1 0 344.371 2.092 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429300227 467322345 /nfs/dbraw/zinc/32/23/45/467322345.db2.gz HPUCBLWABQXQHV-ZDUSSCGKSA-N 1 0 344.367 2.445 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429312741 467323985 /nfs/dbraw/zinc/32/39/85/467323985.db2.gz DYTYYHQGDAOKJO-CYBMUJFWSA-N 1 0 341.367 2.304 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314164 467324581 /nfs/dbraw/zinc/32/45/81/467324581.db2.gz HPEOKAOWWGBOAH-BXUZGUMPSA-N 1 0 341.367 2.384 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339955 467367100 /nfs/dbraw/zinc/36/71/00/467367100.db2.gz MFOGANAXJQFBEO-SUMWQHHRSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357953 467376509 /nfs/dbraw/zinc/37/65/09/467376509.db2.gz DYUKXELXBRZJKL-FCHSOHFDSA-N 1 0 340.811 2.163 20 5 EEBDRO NC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420374057 467383617 /nfs/dbraw/zinc/38/36/17/467383617.db2.gz RVAKWXJWVJZMDO-HNNXBMFYSA-N 1 0 334.420 2.421 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420380220 467386247 /nfs/dbraw/zinc/38/62/47/467386247.db2.gz YFISKGNJRAODNO-OGHNNQOOSA-N 1 0 334.420 2.208 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000420416121 467401494 /nfs/dbraw/zinc/40/14/94/467401494.db2.gz BXXODXBHWHEBOL-NSHDSACASA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH2+]CC2CC2)CC1 ZINC000430566626 467441339 /nfs/dbraw/zinc/44/13/39/467441339.db2.gz HGAYGIJUEJULIT-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000435392896 467465876 /nfs/dbraw/zinc/46/58/76/467465876.db2.gz HWZSDZAPHFDAPJ-AWEZNQCLSA-N 1 0 333.413 2.483 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN)C1CCCC1 ZINC000415064956 467479474 /nfs/dbraw/zinc/47/94/74/467479474.db2.gz LUBWTFSMNKOPHR-LRDDRELGSA-N 1 0 334.420 2.419 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000449144676 467620684 /nfs/dbraw/zinc/62/06/84/467620684.db2.gz JNENLGHOFPKMIS-JQWIXIFHSA-N 1 0 345.321 2.279 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449565848 467662887 /nfs/dbraw/zinc/66/28/87/467662887.db2.gz LLMPKORJUXHNPM-SNVBAGLBSA-N 1 0 329.784 2.261 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449639733 467674113 /nfs/dbraw/zinc/67/41/13/467674113.db2.gz QGCDDWXNSSJKOC-GXTWGEPZSA-N 1 0 343.387 2.028 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1SC ZINC000449717067 467699012 /nfs/dbraw/zinc/69/90/12/467699012.db2.gz MLRANXYGVQXXCW-UWVGGRQHSA-N 1 0 339.417 2.183 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000449939119 467748054 /nfs/dbraw/zinc/74/80/54/467748054.db2.gz IDRHNMQJOXTJTD-JSGCOSHPSA-N 1 0 333.388 2.157 20 5 EEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1OCC[NH+](C)C ZINC000458192151 467786517 /nfs/dbraw/zinc/78/65/17/467786517.db2.gz GXJMPBOEKBEHEM-UHFFFAOYSA-N 1 0 332.360 2.424 20 5 EEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493346071 467890540 /nfs/dbraw/zinc/89/05/40/467890540.db2.gz AWTGMRSHWCMQJI-KJMJWJSPSA-N 1 0 329.400 2.456 20 5 EEBDRO Cc1cc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c(C)cc1[N+](=O)[O-] ZINC000515500851 467995645 /nfs/dbraw/zinc/99/56/45/467995645.db2.gz QGKYKPRQZXZBLK-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO CC(C)[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000487059102 468020114 /nfs/dbraw/zinc/02/01/14/468020114.db2.gz IKEBPWTYKSSRLN-AWEZNQCLSA-N 1 0 331.376 2.421 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487519584 468043031 /nfs/dbraw/zinc/04/30/31/468043031.db2.gz RULKJQSNUPYOMX-NOZJJQNGSA-N 1 0 345.321 2.428 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488037780 468068767 /nfs/dbraw/zinc/06/87/67/468068767.db2.gz GYVQOXVNWZJLTP-INIZCTEOSA-N 1 0 334.420 2.114 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC(C(F)(F)F)C2)c1 ZINC000518364506 468113717 /nfs/dbraw/zinc/11/37/17/468113717.db2.gz PSRSWUJFJXCWDG-RTYFJBAXSA-N 1 0 334.294 2.265 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000518394776 468114822 /nfs/dbraw/zinc/11/48/22/468114822.db2.gz YUSZITYAUBCLRF-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO CCC(C)(C)OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567697985 468187636 /nfs/dbraw/zinc/18/76/36/468187636.db2.gz SKHIWSNOZVONTE-UHFFFAOYSA-N 1 0 344.433 2.163 20 5 EEBDRO O=C(CNc1ccc([N+](=O)[O-])s1)NCC[NH+]1CCCCCC1 ZINC000590062597 468210755 /nfs/dbraw/zinc/21/07/55/468210755.db2.gz VVJDQHQUMAEESZ-UHFFFAOYSA-N 1 0 326.422 2.060 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000534293677 468245232 /nfs/dbraw/zinc/24/52/32/468245232.db2.gz YKPOLIZRCCPREL-CHWSQXEVSA-N 1 0 335.404 2.087 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000590402357 468246624 /nfs/dbraw/zinc/24/66/24/468246624.db2.gz CWDBJFKQDYGFHB-BXUZGUMPSA-N 1 0 328.372 2.308 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591829703 468528451 /nfs/dbraw/zinc/52/84/51/468528451.db2.gz KJLMFWQHRDMWGV-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO COc1cc(C(=O)NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])cc1F ZINC000597586840 468608837 /nfs/dbraw/zinc/60/88/37/468608837.db2.gz JIBZIETXIPIFQG-UHFFFAOYSA-N 1 0 337.351 2.101 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600714979 468630308 /nfs/dbraw/zinc/63/03/08/468630308.db2.gz QKWKTHWPMXDOQB-AWEZNQCLSA-N 1 0 331.376 2.075 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)n2)c(F)c1 ZINC000600771375 468653432 /nfs/dbraw/zinc/65/34/32/468653432.db2.gz LHFIZEMCDZNXHZ-LLVKDONJSA-N 1 0 344.306 2.394 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597920414 468711272 /nfs/dbraw/zinc/71/12/72/468711272.db2.gz BPXHVGZUKZMREH-ZDUSSCGKSA-N 1 0 335.404 2.271 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594992941 468740182 /nfs/dbraw/zinc/74/01/82/468740182.db2.gz LZCAKLRCLRTHTD-IVZVJUQRSA-N 1 0 331.416 2.451 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000595015599 468743514 /nfs/dbraw/zinc/74/35/14/468743514.db2.gz ZFIMSAIDWBCGFG-RDBSUJKOSA-N 1 0 337.420 2.363 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598262494 468810111 /nfs/dbraw/zinc/81/01/11/468810111.db2.gz LKDGRTYSPSDQPV-AWEZNQCLSA-N 1 0 349.431 2.383 20 5 EEBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000584227379 468824579 /nfs/dbraw/zinc/82/45/79/468824579.db2.gz OQCPPVLQIVVJPC-LXZKKBNFSA-N 1 0 338.404 2.128 20 5 EEBDRO C[C@@H](CO)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000593085076 468864512 /nfs/dbraw/zinc/86/45/12/468864512.db2.gz UWQPECVOEPINOI-SUMWQHHRSA-N 1 0 347.415 2.041 20 5 EEBDRO COC(=O)c1ccnc(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000598601761 468928175 /nfs/dbraw/zinc/92/81/75/468928175.db2.gz VXALPTVUCHGRHW-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595674536 468949689 /nfs/dbraw/zinc/94/96/89/468949689.db2.gz LDYOUVAVFIVRNL-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562477085 468965753 /nfs/dbraw/zinc/96/57/53/468965753.db2.gz BPPYCZOYXQIDDN-DUVNUKRYSA-N 1 0 332.404 2.090 20 5 EEBDRO C[C@H]1COCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602657166 468992350 /nfs/dbraw/zinc/99/23/50/468992350.db2.gz XIQBQSBKTKXZOM-UONOGXRCSA-N 1 0 334.420 2.221 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602668798 469000108 /nfs/dbraw/zinc/00/01/08/469000108.db2.gz WWEOBKAXTIDPCX-IRXDYDNUSA-N 1 0 334.416 2.437 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000610576939 469008389 /nfs/dbraw/zinc/00/83/89/469008389.db2.gz JHFBAXNBQTZRKB-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000602787016 469074512 /nfs/dbraw/zinc/07/45/12/469074512.db2.gz FWUQJVMGENWWNO-QGZVFWFLSA-N 1 0 344.415 2.433 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)o1 ZINC000593680575 469092870 /nfs/dbraw/zinc/09/28/70/469092870.db2.gz YENWFGDYPYDEED-CQSZACIVSA-N 1 0 343.383 2.106 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000593730503 469113583 /nfs/dbraw/zinc/11/35/83/469113583.db2.gz JSJFPJHSXRGNNE-SMDDNHRTSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969437 469118580 /nfs/dbraw/zinc/11/85/80/469118580.db2.gz RBSHZDXGMRQFBT-MFKMUULPSA-N 1 0 337.401 2.450 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596140976 469172750 /nfs/dbraw/zinc/17/27/50/469172750.db2.gz VRPZPKPHCVKOOG-CQSZACIVSA-N 1 0 328.372 2.406 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596170239 469184349 /nfs/dbraw/zinc/18/43/49/469184349.db2.gz OQHAOOWLMNHZGZ-CYBMUJFWSA-N 1 0 334.420 2.474 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596307878 469239466 /nfs/dbraw/zinc/23/94/66/469239466.db2.gz PWSZYOVDYPZXCA-LBPRGKRZSA-N 1 0 329.404 3.070 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602493300 469339198 /nfs/dbraw/zinc/33/91/98/469339198.db2.gz SIUDMVQYPLPRGO-DTWKUNHWSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611925111 469346340 /nfs/dbraw/zinc/34/63/40/469346340.db2.gz KWGUUWADOMVDPN-SECBINFHSA-N 1 0 347.462 2.202 20 5 EEBDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547697 469356105 /nfs/dbraw/zinc/35/61/05/469356105.db2.gz RSBWHLWMKMSXNS-INIZCTEOSA-N 1 0 347.463 2.423 20 5 EEBDRO Cc1nn(C)c(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000603415908 469386980 /nfs/dbraw/zinc/38/69/80/469386980.db2.gz NXXMEMMSBKOUOJ-GJZGRUSLSA-N 1 0 327.388 2.100 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC3CC3)C2)n1 ZINC000618567967 469392051 /nfs/dbraw/zinc/39/20/51/469392051.db2.gz ARAIZDRZJMVHNF-ARFHVFGLSA-N 1 0 333.436 2.349 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609386592 469924365 /nfs/dbraw/zinc/92/43/65/469924365.db2.gz XXSZUQUKSUMOTI-UKRRQHHQSA-N 1 0 334.420 2.384 20 5 EEBDRO CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369681 470008447 /nfs/dbraw/zinc/00/84/47/470008447.db2.gz WBJMTHOEPFXNDK-RDJZCZTQSA-N 1 0 330.388 2.162 20 5 EEBDRO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369680 470008679 /nfs/dbraw/zinc/00/86/79/470008679.db2.gz WBJMTHOEPFXNDK-NVXWUHKLSA-N 1 0 330.388 2.162 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1Cl ZINC000775135561 577430831 /nfs/dbraw/zinc/43/08/31/577430831.db2.gz BEYKIASRQXYIDS-UHFFFAOYSA-N 1 0 325.796 2.203 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCC3CCC3)c2)CC1 ZINC000934044881 677768049 /nfs/dbraw/zinc/76/80/49/677768049.db2.gz YGLUVFQIAALDMQ-UHFFFAOYSA-N 1 0 347.419 2.268 20 5 EEBDRO C[NH2+][C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000262097053 678429125 /nfs/dbraw/zinc/42/91/25/678429125.db2.gz VFZAKOCPUFXMCV-HNNXBMFYSA-N 1 0 329.404 2.179 20 5 EEBDRO C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000894253429 681633576 /nfs/dbraw/zinc/63/35/76/681633576.db2.gz JKQRNFNFBCOPNI-UHFFFAOYSA-N 1 0 340.855 2.364 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000894622882 683001330 /nfs/dbraw/zinc/00/13/30/683001330.db2.gz LMKVICSFMVUFJA-QGZVFWFLSA-N 1 0 335.404 2.227 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc3c2OCC3)CC1 ZINC000894803479 683100341 /nfs/dbraw/zinc/10/03/41/683100341.db2.gz ZLBXHCQNTVLZQQ-UHFFFAOYSA-N 1 0 340.383 2.247 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001059233622 683488970 /nfs/dbraw/zinc/48/89/70/683488970.db2.gz SWAMARFTZLTGJL-HDJSIYSDSA-N 1 0 332.404 2.058 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281595 686675414 /nfs/dbraw/zinc/67/54/14/686675414.db2.gz UHFBTXQOODUGON-UHFFFAOYSA-N 1 0 328.372 2.039 20 5 EEBDRO O=[N+]([O-])CCNc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000905312221 694598011 /nfs/dbraw/zinc/59/80/11/694598011.db2.gz DRUKZQYIYRRRGU-UHFFFAOYSA-N 1 0 341.415 2.092 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794749775 1197929710 /nfs/dbraw/zinc/92/97/10/1197929710.db2.gz BEKGMNSRQANRDE-IBGZPJMESA-N 1 0 341.411 2.444 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794575248 1197936697 /nfs/dbraw/zinc/93/66/97/1197936697.db2.gz VICHXBRQOAGDAO-ZYHUDNBSSA-N 1 0 341.795 2.327 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000872247776 1198110631 /nfs/dbraw/zinc/11/06/31/1198110631.db2.gz NKGOBSZJYRHUEQ-GFCCVEGCSA-N 1 0 344.293 2.133 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000825665558 1198529566 /nfs/dbraw/zinc/52/95/66/1198529566.db2.gz SQLOAVFNPNVSSU-IAGOWNOFSA-N 1 0 347.415 2.105 20 5 EEBDRO COc1ccc(F)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132096315 1199286424 /nfs/dbraw/zinc/28/64/24/1199286424.db2.gz FHLKLKDYIUMLEE-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000810847320 1199778746 /nfs/dbraw/zinc/77/87/46/1199778746.db2.gz MKTKQUFDECAJHY-NEPJUHHUSA-N 1 0 334.328 2.107 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)C3CCCC3)CC2)cn1 ZINC000877777649 1200095405 /nfs/dbraw/zinc/09/54/05/1200095405.db2.gz DAQNAIJJLBIVMX-QGZVFWFLSA-N 1 0 348.447 2.489 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000811600651 1200166439 /nfs/dbraw/zinc/16/64/39/1200166439.db2.gz KONLXYGOQNZGJK-CYBMUJFWSA-N 1 0 347.419 2.181 20 5 EEBDRO CCc1ccc(N2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000878149672 1200286160 /nfs/dbraw/zinc/28/61/60/1200286160.db2.gz SEYDNXPZRZUZNJ-UHFFFAOYSA-N 1 0 343.431 2.484 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879962452 1201326394 /nfs/dbraw/zinc/32/63/94/1201326394.db2.gz NGDHAKWIUBRONK-CJNGLKHVSA-N 1 0 347.415 2.183 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](CF)C1 ZINC000880293970 1201449460 /nfs/dbraw/zinc/44/94/60/1201449460.db2.gz GKVFFYGZHQYGDH-GHMZBOCLSA-N 1 0 325.340 2.222 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000866296660 1201486971 /nfs/dbraw/zinc/48/69/71/1201486971.db2.gz NPVKYXVCEUGMBD-LLVKDONJSA-N 1 0 346.424 2.468 20 5 EEBDRO [NH3+]CCSCc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881226941 1201661228 /nfs/dbraw/zinc/66/12/28/1201661228.db2.gz CBLNPMFERFKMPK-UHFFFAOYSA-N 1 0 327.797 2.080 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000881471449 1201705687 /nfs/dbraw/zinc/70/56/87/1201705687.db2.gz YUJZBTCHTJJNDG-MRXNPFEDSA-N 1 0 347.415 2.276 20 5 EEBDRO CSCC1(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867984729 1201720864 /nfs/dbraw/zinc/72/08/64/1201720864.db2.gz RNKOHEKWOJWYDJ-OAHLLOKOSA-N 1 0 337.445 2.418 20 5 EEBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\CN1CCOCC1 ZINC000868718652 1201866091 /nfs/dbraw/zinc/86/60/91/1201866091.db2.gz AZLJRVNFDDEAQT-ARJAWSKDSA-N 1 0 348.403 2.242 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000885966814 1202460253 /nfs/dbraw/zinc/46/02/53/1202460253.db2.gz DTJKKEUETMNYFD-IJEWVQPXSA-N 1 0 334.420 2.063 20 5 EEBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886145173 1202477095 /nfs/dbraw/zinc/47/70/95/1202477095.db2.gz QQMGOYATLHWZMS-TZMCWYRMSA-N 1 0 336.392 2.336 20 5 EEBDRO Cc1ccc(N(C)CCCNC(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001095582741 1205881531 /nfs/dbraw/zinc/88/15/31/1205881531.db2.gz IRCWACAAMFDQEE-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930369123 1206552902 /nfs/dbraw/zinc/55/29/02/1206552902.db2.gz YMZXLCVBZKCRMZ-AFAVFJNCSA-N 1 0 329.400 2.299 20 5 EEBDRO CCCCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001111312237 1210146674 /nfs/dbraw/zinc/14/66/74/1210146674.db2.gz VOOOQHZRZVGCQD-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074944 1213598499 /nfs/dbraw/zinc/59/84/99/1213598499.db2.gz WDJKSNUTAHGBSF-GOEBONIOSA-N 1 0 329.404 2.318 20 5 EEBDRO CCN(CCCNC(=O)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001095892293 1215359405 /nfs/dbraw/zinc/35/94/05/1215359405.db2.gz YNJDPHCFVFBIMS-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001020045754 1229456728 /nfs/dbraw/zinc/45/67/28/1229456728.db2.gz KDHKXXVJUGJYHE-HDJSIYSDSA-N 1 0 346.412 2.410 20 5 EEBDRO CC[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595779 1234537294 /nfs/dbraw/zinc/53/72/94/1234537294.db2.gz OWRPPPKYVBRMCN-UHFFFAOYSA-N 1 0 340.181 2.107 20 5 EEBDRO Cc1cc(N2CCCN(C(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001057142227 1242050019 /nfs/dbraw/zinc/05/00/19/1242050019.db2.gz UMPNEIQPDLYMDK-UHFFFAOYSA-N 1 0 346.431 2.038 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097091772 1243690106 /nfs/dbraw/zinc/69/01/06/1243690106.db2.gz VFOBKMNIAUPUEF-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001097191286 1243805614 /nfs/dbraw/zinc/80/56/14/1243805614.db2.gz FIEQCMWIBRYIQZ-OKILXGFUSA-N 1 0 334.420 2.303 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000155904114 1279723723 /nfs/dbraw/zinc/72/37/23/1279723723.db2.gz NQRHMIHHRBOKLP-AWEZNQCLSA-N 1 0 337.423 2.269 20 5 EEBDRO CO[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@@H]1C ZINC000853516688 1292406104 /nfs/dbraw/zinc/40/61/04/1292406104.db2.gz NTUWVXHIFAAPLD-SWLSCSKDSA-N 1 0 331.376 2.168 20 5 EEBDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000856796889 1293635923 /nfs/dbraw/zinc/63/59/23/1293635923.db2.gz VXCAGRYTSNYKLF-QGZVFWFLSA-N 1 0 330.388 2.274 20 5 EEBDRO C[C@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000857763860 1293910653 /nfs/dbraw/zinc/91/06/53/1293910653.db2.gz AALPBQYDDUUGTD-QWRGUYRKSA-N 1 0 343.330 2.071 20 5 EEBDRO COc1cc(C(=O)OCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000858970694 1294278612 /nfs/dbraw/zinc/27/86/12/1294278612.db2.gz SBGYBDRKOUEBMW-UHFFFAOYSA-N 1 0 338.360 2.255 20 5 EEBDRO O=c1c2cccc(O)c2oc2cc(O)cc(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218286707 1297623196 /nfs/dbraw/zinc/62/31/96/1297623196.db2.gz JDXPPICUPIZLJP-LLVKDONJSA-N 1 0 327.336 2.488 20 5 EEBDRO C[C@@H](Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318655 1297628566 /nfs/dbraw/zinc/62/85/66/1297628566.db2.gz XWNVHOFICRYIHT-ABAIWWIYSA-N 1 0 329.356 2.090 20 5 EEBDRO O=c1cc(O[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218448669 1297667657 /nfs/dbraw/zinc/66/76/57/1297667657.db2.gz PCBDTGOEISATRF-GFCCVEGCSA-N 1 0 325.271 2.225 20 5 EEBDRO CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H](OCCC[N+](C)(C)C)CC[C@@H]21 ZINC001224620128 1300672244 /nfs/dbraw/zinc/67/22/44/1300672244.db2.gz UCWBPYQUPQQWNM-HRCADAONSA-N 1 0 343.488 2.266 20 5 EEBDRO Cc1cc(Br)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225751413 1301145570 /nfs/dbraw/zinc/14/55/70/1301145570.db2.gz CATFYHZLHBOGII-GFCCVEGCSA-N 1 0 331.230 2.120 20 5 EEBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C)c1Br ZINC001225791888 1301157249 /nfs/dbraw/zinc/15/72/49/1301157249.db2.gz HINXDHQDMQIZAZ-GFCCVEGCSA-N 1 0 345.257 2.429 20 5 EEBDRO COCCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226276566 1301332877 /nfs/dbraw/zinc/33/28/77/1301332877.db2.gz ONPBLOXBVOVZNN-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[nH]c(=O)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001227091747 1301682014 /nfs/dbraw/zinc/68/20/14/1301682014.db2.gz MNDPTFYSNCJSMQ-PEGIJTEDSA-N 1 0 330.344 2.248 20 5 EEBDRO O=[N+]([O-])c1cncnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001228655345 1302362333 /nfs/dbraw/zinc/36/23/33/1302362333.db2.gz QXCHCPZSFRTJJF-HNNXBMFYSA-N 1 0 344.371 2.055 20 5 EEBDRO CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(-c2cc[nH]n2)c1 ZINC001228684172 1302379644 /nfs/dbraw/zinc/37/96/44/1302379644.db2.gz GIORCZLBTKURDD-CQSZACIVSA-N 1 0 332.424 2.002 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367085 1302748836 /nfs/dbraw/zinc/74/88/36/1302748836.db2.gz HPBLEJRRECCEGL-LLVKDONJSA-N 1 0 332.360 2.495 20 5 EEBDRO O=c1[nH]nc(OC2CC[NH+](C3CC3)CC2)c2c1cccc2[N+](=O)[O-] ZINC001229367142 1302748997 /nfs/dbraw/zinc/74/89/97/1302748997.db2.gz ISVZXTHXXIGKIT-UHFFFAOYSA-N 1 0 330.344 2.249 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1Cl ZINC000783664759 1304322350 /nfs/dbraw/zinc/32/23/50/1304322350.db2.gz MWKSZFNXQJMIIR-LLVKDONJSA-N 1 0 332.809 2.305 20 5 EEBDRO C[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CCCC1 ZINC000798191806 1304941991 /nfs/dbraw/zinc/94/19/91/1304941991.db2.gz MVHLYOXPVQIPTQ-KRWDZBQOSA-N 1 0 346.387 2.194 20 5 EEBDRO [NH3+][C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC001122341173 1310265377 /nfs/dbraw/zinc/26/53/77/1310265377.db2.gz LMSPVMCHUGNYAQ-GJZGRUSLSA-N 1 0 329.400 2.403 20 5 EEBDRO N[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1F ZINC001246582131 1310348842 /nfs/dbraw/zinc/34/88/42/1310348842.db2.gz FXFCYIXHRLNEAB-IAGOWNOFSA-N 1 0 336.411 2.325 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc21 ZINC001160740493 1320254762 /nfs/dbraw/zinc/25/47/62/1320254762.db2.gz OMOYVTROUBTYAT-HTQZYQBOSA-N 1 0 329.282 2.423 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000839660545 1315227009 /nfs/dbraw/zinc/22/70/09/1315227009.db2.gz WKNIFJHSHCDDIR-GFCCVEGCSA-N 1 0 331.376 2.410 20 5 EEBDRO COC(=O)[C@]1(C)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000840185069 1315320257 /nfs/dbraw/zinc/32/02/57/1315320257.db2.gz OAPGZSLLPCACEZ-QGZVFWFLSA-N 1 0 346.387 2.486 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842617881 1315733746 /nfs/dbraw/zinc/73/37/46/1315733746.db2.gz RIPLMOATPGBXEF-TZMCWYRMSA-N 1 0 347.371 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@H]4CCC[NH2+]C4)no3)cn2)cc1 ZINC000842665331 1315749751 /nfs/dbraw/zinc/74/97/51/1315749751.db2.gz NCZABQRHDIAMSD-NSHDSACASA-N 1 0 340.343 2.298 20 5 EEBDRO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094817 1315840468 /nfs/dbraw/zinc/84/04/68/1315840468.db2.gz LUTNUDJBANIJGX-MAUKXSAKSA-N 1 0 346.383 2.003 20 5 EEBDRO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094813 1315840507 /nfs/dbraw/zinc/84/05/07/1315840507.db2.gz LUTNUDJBANIJGX-CRAIPNDOSA-N 1 0 346.383 2.003 20 5 EEBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc(C4CC[NH2+]CC4)no3)n2)c1 ZINC000843138460 1315853236 /nfs/dbraw/zinc/85/32/36/1315853236.db2.gz UXNXTPBEDNDDBS-UHFFFAOYSA-N 1 0 340.343 2.298 20 5 EEBDRO C[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H]([NH3+])c1ccccc1 ZINC000843222675 1315870077 /nfs/dbraw/zinc/87/00/77/1315870077.db2.gz ILMOWVJHRXYGDF-MWLCHTKSSA-N 1 0 328.332 2.182 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000843502509 1315924833 /nfs/dbraw/zinc/92/48/33/1315924833.db2.gz DMCCMFRASVMXQP-QWHCGFSZSA-N 1 0 334.420 2.441 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001152323672 1316657245 /nfs/dbraw/zinc/65/72/45/1316657245.db2.gz ARMNMADSWHCVJP-UHFFFAOYSA-N 1 0 339.442 2.475 20 5 EEBDRO CC(C)COCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154956668 1317399808 /nfs/dbraw/zinc/39/98/08/1317399808.db2.gz RIUFYSFQRIYJBD-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001155256601 1317526283 /nfs/dbraw/zinc/52/62/83/1317526283.db2.gz NPWYNRPVQYUVBZ-SECBINFHSA-N 1 0 341.327 2.135 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NCC[C@@H]3CCOC34C[NH2+]C4)c2c1 ZINC001155478943 1317614790 /nfs/dbraw/zinc/61/47/90/1317614790.db2.gz QAUCKKSEGKBXBF-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592434 1317663945 /nfs/dbraw/zinc/66/39/45/1317663945.db2.gz OZTPHBUKOLUIDJ-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO CC(C)[C@](C)([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254465601 1318081924 /nfs/dbraw/zinc/08/19/24/1318081924.db2.gz GBUIRSKQWRQZCC-KRWDZBQOSA-N 1 0 334.420 2.053 20 5 EEBDRO Cn1ncc2c1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254480694 1318085111 /nfs/dbraw/zinc/08/51/11/1318085111.db2.gz LPOWURJFCAEKDR-UHFFFAOYSA-N 1 0 341.415 2.355 20 5 EEBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254565634 1318122406 /nfs/dbraw/zinc/12/24/06/1318122406.db2.gz FBLBCAYXIYPUTL-ZDUSSCGKSA-N 1 0 333.388 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCN(c3ccncn3)C1)C2 ZINC001254586246 1318134610 /nfs/dbraw/zinc/13/46/10/1318134610.db2.gz JEYCBCUZRYUEDZ-HOTGVXAUSA-N 1 0 339.399 2.111 20 5 EEBDRO CCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1 ZINC001254588480 1318136167 /nfs/dbraw/zinc/13/61/67/1318136167.db2.gz ZTBSHAVWOFKPHW-CQSZACIVSA-N 1 0 338.429 2.009 20 5 EEBDRO Cc1cncnc1O[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606119 1318142675 /nfs/dbraw/zinc/14/26/75/1318142675.db2.gz DZJCDSOXCZJPFC-SJORKVTESA-N 1 0 340.383 2.314 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3ncccn3)C1)C2 ZINC001254606586 1318142786 /nfs/dbraw/zinc/14/27/86/1318142786.db2.gz GRUNVOFYSKVLSS-HOTGVXAUSA-N 1 0 326.356 2.005 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@H]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084260 1318642718 /nfs/dbraw/zinc/64/27/18/1318642718.db2.gz XQQPIVPXMKRDMJ-XJKSGUPXSA-N 1 0 349.431 2.323 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3nonc3C)CC2)ccc1[N+](=O)[O-] ZINC001256085633 1318642827 /nfs/dbraw/zinc/64/28/27/1318642827.db2.gz RFHDCIOHALFSQM-UHFFFAOYSA-N 1 0 347.375 2.053 20 5 EEBDRO Cc1cnccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157604267 1318740753 /nfs/dbraw/zinc/74/07/53/1318740753.db2.gz RNVYCIZHNZFSMU-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=C(NCCC[NH2+]Cc1c(Cl)cccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775594 1318852627 /nfs/dbraw/zinc/85/26/27/1318852627.db2.gz RKEFFBOARDSTQU-NOZJJQNGSA-N 1 0 346.214 2.255 20 5 EEBDRO Cc1cc(N2CC[C@@](F)(C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157816334 1318881568 /nfs/dbraw/zinc/88/15/68/1318881568.db2.gz IJGLYJYVMIFTDH-MRXNPFEDSA-N 1 0 331.351 2.237 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1 ZINC001158261901 1319122141 /nfs/dbraw/zinc/12/21/41/1319122141.db2.gz PDSKBVLMMAPMQZ-ZDUSSCGKSA-N 1 0 341.415 2.145 20 5 EEBDRO CCc1cccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001160042169 1320054569 /nfs/dbraw/zinc/05/45/69/1320054569.db2.gz XTKYXJUZCBOWEZ-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO COc1nc(SC)nc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162453640 1320860317 /nfs/dbraw/zinc/86/03/17/1320860317.db2.gz KYKIVWPJNGLHLS-NXEZZACHSA-N 1 0 341.437 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCOC34C[NH2+]C4)ccc2c1 ZINC001163080750 1321030362 /nfs/dbraw/zinc/03/03/62/1321030362.db2.gz IBFKANFXGXKKJS-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163220169 1321070231 /nfs/dbraw/zinc/07/02/31/1321070231.db2.gz BDKALVRPRXTDGV-LLVKDONJSA-N 1 0 334.357 2.094 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163230482 1321072494 /nfs/dbraw/zinc/07/24/94/1321072494.db2.gz ORUVQOPTXBOLKI-NSHDSACASA-N 1 0 334.357 2.094 20 5 EEBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163255292 1321077503 /nfs/dbraw/zinc/07/75/03/1321077503.db2.gz XQWDHXSFDWFJHQ-FUHWJXTLSA-N 1 0 338.367 2.252 20 5 EEBDRO COc1cccc([C@H](C[NH3+])Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c1 ZINC001163309339 1321093735 /nfs/dbraw/zinc/09/37/35/1321093735.db2.gz LFZKTBCJAHCOGR-LBPRGKRZSA-N 1 0 338.751 2.002 20 5 EEBDRO CCOC(=O)c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163328521 1321098952 /nfs/dbraw/zinc/09/89/52/1321098952.db2.gz QFUNUNHPFVYEJL-SUMWQHHRSA-N 1 0 349.387 2.095 20 5 EEBDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001163686752 1321192500 /nfs/dbraw/zinc/19/25/00/1321192500.db2.gz BZNIYFMTCUTQCT-UHFFFAOYSA-N 1 0 345.403 2.180 20 5 EEBDRO Nc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165082023 1321452137 /nfs/dbraw/zinc/45/21/37/1321452137.db2.gz CHYSOKTZJUJWRX-GDBMZVCRSA-N 1 0 339.399 2.283 20 5 EEBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001262038361 1322225296 /nfs/dbraw/zinc/22/52/96/1322225296.db2.gz JKWNJTPKBMIMII-UHFFFAOYSA-N 1 0 325.674 2.211 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001262596233 1322329767 /nfs/dbraw/zinc/32/97/67/1322329767.db2.gz WYGMDKWOPKBUCE-OAHLLOKOSA-N 1 0 347.327 2.033 20 5 EEBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001263333978 1322463461 /nfs/dbraw/zinc/46/34/61/1322463461.db2.gz WZODWKPZSHXVJK-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO CC[N@H+](C)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001308176618 1331569168 /nfs/dbraw/zinc/56/91/68/1331569168.db2.gz MJLMJIDPUSHGFN-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001308161274 1331569259 /nfs/dbraw/zinc/56/92/59/1331569259.db2.gz BHVBXPXEVSOIIM-QGZVFWFLSA-N 1 0 330.388 2.083 20 5 EEBDRO C[C@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001311609406 1331776163 /nfs/dbraw/zinc/77/61/63/1331776163.db2.gz MLYUAHOWNDDVDV-QEORTHHSSA-N 1 0 332.404 2.249 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C(C)(C)C)CC1 ZINC001322761231 1333321623 /nfs/dbraw/zinc/32/16/23/1333321623.db2.gz BNFGUZLWCAXNLD-CYBMUJFWSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC001609113743 1351849218 /nfs/dbraw/zinc/84/92/18/1351849218.db2.gz FRGMDWPRKDZKAD-LBPRGKRZSA-N 1 0 345.407 2.309 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2c([N+](=O)[O-])cnn2C)o1 ZINC001328391020 1334453504 /nfs/dbraw/zinc/45/35/04/1334453504.db2.gz OOMAPYLEOSIPOS-LLVKDONJSA-N 1 0 334.380 2.214 20 5 EEBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609320046 1351931836 /nfs/dbraw/zinc/93/18/36/1351931836.db2.gz VFDCFYWHAJMVEI-LBPRGKRZSA-N 1 0 346.391 2.023 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1F ZINC001331046813 1334953050 /nfs/dbraw/zinc/95/30/50/1334953050.db2.gz YUJVIBMTVJFJEE-QWHCGFSZSA-N 1 0 339.367 2.345 20 5 EEBDRO C[C@H](COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCOCC1 ZINC001344309310 1337389242 /nfs/dbraw/zinc/38/92/42/1337389242.db2.gz FBWIOTKGXQWESU-LBPRGKRZSA-N 1 0 347.371 2.201 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001357662226 1339007391 /nfs/dbraw/zinc/00/73/91/1339007391.db2.gz ZIWDDOZRTJYMAH-SNVBAGLBSA-N 1 0 329.809 2.073 20 5 EEBDRO C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C[NH3+] ZINC001576700345 1344049248 /nfs/dbraw/zinc/04/92/48/1344049248.db2.gz QUWZCVDPDIIFPT-UFBFGSQYSA-N 1 0 341.799 2.422 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911033 1344074655 /nfs/dbraw/zinc/07/46/55/1344074655.db2.gz WSQHSPOPANAWEE-ZANVPECISA-N 1 0 334.376 2.004 20 5 EEBDRO Cc1cc(S(=O)(=O)Oc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001579641096 1344402493 /nfs/dbraw/zinc/40/24/93/1344402493.db2.gz NXMWTBDVDWLCMZ-UHFFFAOYSA-N 1 0 348.380 2.317 20 5 EEBDRO [NH3+]C[C@H]1CCc2ccccc2N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001580269492 1344504497 /nfs/dbraw/zinc/50/44/97/1344504497.db2.gz OGVGFDAJSULQBE-SJLPKXTDSA-N 1 0 327.384 2.408 20 5 EEBDRO O=C(N1CC[NH2+]CCC12CCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001580584985 1344540144 /nfs/dbraw/zinc/54/01/44/1344540144.db2.gz IBMKZXYIEBCBQH-UHFFFAOYSA-N 1 0 339.342 2.431 20 5 EEBDRO O=[N+]([O-])c1sc(CN2C[C@H]3CC[NH2+]C[C@H]32)cc1Br ZINC001580876537 1344567911 /nfs/dbraw/zinc/56/79/11/1344567911.db2.gz NESGQWDWCSOFIN-GMSGAONNSA-N 1 0 332.223 2.213 20 5 EEBDRO CC(C)([NH2+]Cc1ccncc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001589324799 1348984414 /nfs/dbraw/zinc/98/44/14/1348984414.db2.gz USYWFAQIOKFZEH-UHFFFAOYSA-N 1 0 339.359 2.195 20 5 EEBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001590096378 1349153154 /nfs/dbraw/zinc/15/31/54/1349153154.db2.gz HAHGFCOLBKTCRE-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592041757 1349587544 /nfs/dbraw/zinc/58/75/44/1349587544.db2.gz LBADNWJJDFWDBF-CYBMUJFWSA-N 1 0 347.423 2.472 20 5 EEBDRO CC[C@@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001593607723 1349870419 /nfs/dbraw/zinc/87/04/19/1349870419.db2.gz VUNXZLSTETXGON-QGZVFWFLSA-N 1 0 349.431 2.302 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001600488514 1350063749 /nfs/dbraw/zinc/06/37/49/1350063749.db2.gz UOIOWYXNIRCVMX-JRATXPSKSA-N 1 0 333.388 2.088 20 5 EEBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603893744 1350796739 /nfs/dbraw/zinc/79/67/39/1350796739.db2.gz AMVSXJJSFJGPIN-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850429507 1367141552 /nfs/dbraw/zinc/14/15/52/1367141552.db2.gz FWQLNMKBLKBSFO-NWDGAFQWSA-N 1 0 337.376 2.485 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000815560467 1368035700 /nfs/dbraw/zinc/03/57/00/1368035700.db2.gz INOGPCOHVRFIPB-GFCCVEGCSA-N 1 0 346.387 2.448 20 5 EEBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091500 1371272951 /nfs/dbraw/zinc/27/29/51/1371272951.db2.gz JVFVLWFLNQALDD-RHSMWYFYSA-N 1 0 332.356 2.172 20 5 EEBDRO CC1([C@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000784570251 1371419674 /nfs/dbraw/zinc/41/96/74/1371419674.db2.gz DBWJWCQSOVXLFE-GOEBONIOSA-N 1 0 336.388 2.103 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001120950275 1371845307 /nfs/dbraw/zinc/84/53/07/1371845307.db2.gz CIYDKGGKHHNEGQ-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO CC(C)(C(=O)NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001343714296 1372960252 /nfs/dbraw/zinc/96/02/52/1372960252.db2.gz NCONKLBVRSXKAB-CYBMUJFWSA-N 1 0 337.445 2.084 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165040571 721892281 /nfs/dbraw/zinc/89/22/81/721892281.db2.gz ZBRVQQUPGNMZOF-QMMMGPOBSA-N 1 0 331.829 2.291 20 5 EEBDRO CC(C)(C)c1nc[nH]c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127659840 777808356 /nfs/dbraw/zinc/80/83/56/777808356.db2.gz NHOOGQIVKCYQKC-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127683826 778761013 /nfs/dbraw/zinc/76/10/13/778761013.db2.gz BDPYIEVEWISEQK-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO Cn1cc([C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000846933179 790737101 /nfs/dbraw/zinc/73/71/01/790737101.db2.gz WDCUIAAAMYHGCW-IAGOWNOFSA-N 1 0 344.415 2.487 20 5 EEBDRO COc1cnc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1[N+](=O)[O-] ZINC001167982358 781357054 /nfs/dbraw/zinc/35/70/54/781357054.db2.gz DNUCEJMEFNHUPQ-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)C(C)C ZINC000809790351 783394974 /nfs/dbraw/zinc/39/49/74/783394974.db2.gz CFOGTQJRARTJSR-LCYFTJDESA-N 1 0 326.418 2.411 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001170870373 784802043 /nfs/dbraw/zinc/80/20/43/784802043.db2.gz ORKQDOLRDUIRMR-ZIAGYGMSSA-N 1 0 344.371 2.014 20 5 EEBDRO Cc1c(C(=O)N(C)C2CCC([NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818530324 785272822 /nfs/dbraw/zinc/27/28/22/785272822.db2.gz RAZTXDMUTCSYHQ-UHFFFAOYSA-N 1 0 336.348 2.153 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000818554559 785291119 /nfs/dbraw/zinc/29/11/19/785291119.db2.gz WZPSXGSXDCWJAM-UHFFFAOYSA-N 1 0 338.364 2.367 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000819210831 785473549 /nfs/dbraw/zinc/47/35/49/785473549.db2.gz YIFBCLXRIDFEFR-HOTGVXAUSA-N 1 0 336.388 2.294 20 5 EEBDRO COCC[C@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819221695 785477227 /nfs/dbraw/zinc/47/72/27/785477227.db2.gz MNZMVIIWVVHUTB-PBHICJAKSA-N 1 0 334.372 2.459 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000820714537 786433349 /nfs/dbraw/zinc/43/33/49/786433349.db2.gz PVLRMCRGJKVPLV-AWEZNQCLSA-N 1 0 337.420 2.298 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000910258534 786589266 /nfs/dbraw/zinc/58/92/66/786589266.db2.gz CXNZDJAADDKTLD-UHFFFAOYSA-N 1 0 346.387 2.338 20 5 EEBDRO Cc1cnc(NC/C=C/CNC(=O)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107268828 786667835 /nfs/dbraw/zinc/66/78/35/786667835.db2.gz BJNXLGSQWXHKQE-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107279713 786698314 /nfs/dbraw/zinc/69/83/14/786698314.db2.gz AYYJYOSGXVTBCY-PLNGDYQASA-N 1 0 338.383 2.160 20 5 EEBDRO CC1CC[NH+](CC(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107300822 786765650 /nfs/dbraw/zinc/76/56/50/786765650.db2.gz YDYGACRMKJNPGP-SNAWJCMRSA-N 1 0 346.431 2.411 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1nc(C)ccc1[N+](=O)[O-] ZINC001107391654 787105958 /nfs/dbraw/zinc/10/59/58/787105958.db2.gz LACZFUYRCHCKCB-BQYQJAHWSA-N 1 0 349.435 2.113 20 5 EEBDRO O=C(c1ccsn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996703180 787192414 /nfs/dbraw/zinc/19/24/14/787192414.db2.gz RNRHQTLFJZQIQM-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])C1 ZINC001107514283 787486493 /nfs/dbraw/zinc/48/64/93/787486493.db2.gz ZVRUWWZNNHANKQ-AATRIKPKSA-N 1 0 346.431 2.411 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCCC1 ZINC000823120333 787575723 /nfs/dbraw/zinc/57/57/23/787575723.db2.gz ICDOQLLWKJETNP-NSHDSACASA-N 1 0 338.383 2.014 20 5 EEBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000911692240 787641731 /nfs/dbraw/zinc/64/17/31/787641731.db2.gz NPBSINGDEMODGP-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000823974132 788004750 /nfs/dbraw/zinc/00/47/50/788004750.db2.gz PRHKUJBCDKQQRR-BXUZGUMPSA-N 1 0 333.392 2.125 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923413978 789521587 /nfs/dbraw/zinc/52/15/87/789521587.db2.gz SYGXIZFSQKTQGO-PHIMTYICSA-N 1 0 326.194 2.294 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923436572 789549381 /nfs/dbraw/zinc/54/93/81/789549381.db2.gz PCKBQOAEHKHTRU-VWYCJHECSA-N 1 0 340.811 2.257 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001148505235 792500404 /nfs/dbraw/zinc/50/04/04/792500404.db2.gz YICGCUXATWENBC-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC001089944078 794988943 /nfs/dbraw/zinc/98/89/43/794988943.db2.gz PYIFGYIKFUFFQE-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO Cc1cc(NCCNC(=O)CCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001093648298 795512379 /nfs/dbraw/zinc/51/23/79/795512379.db2.gz NNBCBOKGMUYJFI-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCCC[NH+]2CCCC2)n1 ZINC001093704328 795580720 /nfs/dbraw/zinc/58/07/20/795580720.db2.gz HLCQLTGGRXEBPX-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001094223664 796006494 /nfs/dbraw/zinc/00/64/94/796006494.db2.gz UQAYBABRHIVKDE-UHFFFAOYSA-N 1 0 346.431 2.307 20 5 EEBDRO C[N@H+](CC(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC001094853455 796781829 /nfs/dbraw/zinc/78/18/29/796781829.db2.gz NEILGEUAVSUHPL-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO COC(=O)C[C@H]1COCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921767 797152149 /nfs/dbraw/zinc/15/21/49/797152149.db2.gz SKUAAOCYWRNKFW-WBVHZDCISA-N 1 0 348.399 2.106 20 5 EEBDRO CC[C@@H](O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006163 797193764 /nfs/dbraw/zinc/19/37/64/797193764.db2.gz OIJRSQNSNYYDSM-GFCCVEGCSA-N 1 0 329.347 2.202 20 5 EEBDRO COCCOCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185268 797280206 /nfs/dbraw/zinc/28/02/06/797280206.db2.gz XLHVUSHRZIINOQ-GFCCVEGCSA-N 1 0 344.383 2.316 20 5 EEBDRO COC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185184 797280629 /nfs/dbraw/zinc/28/06/29/797280629.db2.gz WCCVVNFJFPBOSJ-UWVGGRQHSA-N 1 0 328.340 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCc3ncn(C)c3C2)c1F ZINC001173191071 797280928 /nfs/dbraw/zinc/28/09/28/797280928.db2.gz ABYHITVPQAMXGX-LLVKDONJSA-N 1 0 348.378 2.465 20 5 EEBDRO CCNC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173213160 797315642 /nfs/dbraw/zinc/31/56/42/797315642.db2.gz FZXIFSALLSCZOO-ZDUSSCGKSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001173237164 797321411 /nfs/dbraw/zinc/32/14/11/797321411.db2.gz INUSATZKKXLXTL-KMFMINBZSA-N 1 0 331.416 2.469 20 5 EEBDRO C[NH+](C)CC1(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001095246356 797557804 /nfs/dbraw/zinc/55/78/04/797557804.db2.gz NNBQSADMZVDAFA-UHFFFAOYSA-N 1 0 346.431 2.340 20 5 EEBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000828304195 800672336 /nfs/dbraw/zinc/67/23/36/800672336.db2.gz HFZNCOSPJXSIKZ-HNNXBMFYSA-N 1 0 329.356 2.469 20 5 EEBDRO Cn1c2cc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000786803516 806903202 /nfs/dbraw/zinc/90/32/02/806903202.db2.gz HGQTXDHHUNNNAX-NWDGAFQWSA-N 1 0 347.419 2.070 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001086011662 801925249 /nfs/dbraw/zinc/92/52/49/801925249.db2.gz LLPJRRWPTGXTTN-AKAXFMLLSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001086023924 801962600 /nfs/dbraw/zinc/96/26/00/801962600.db2.gz WAXCCLWOJSYNBI-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001086084631 802116349 /nfs/dbraw/zinc/11/63/49/802116349.db2.gz ZGKDGLOTZDQTME-FAAHXZRKSA-N 1 0 337.445 2.015 20 5 EEBDRO Cc1nocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086466370 803033794 /nfs/dbraw/zinc/03/37/94/803033794.db2.gz ZFXISGOEQSIREF-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc4cc([N+](=O)[O-])ccc4n3)n2)c1 ZINC001168876499 803491923 /nfs/dbraw/zinc/49/19/23/803491923.db2.gz DICWYYYDMWHKPU-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO [NH3+]CCc1cnn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC001168947595 803532555 /nfs/dbraw/zinc/53/25/55/803532555.db2.gz ZIRJAJCFUBGRHP-UHFFFAOYSA-N 1 0 339.355 2.256 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001168984801 803548135 /nfs/dbraw/zinc/54/81/35/803548135.db2.gz AHGUGZXTUYBEHU-OUCADQQQSA-N 1 0 327.425 2.277 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC001168963663 803551938 /nfs/dbraw/zinc/55/19/38/803551938.db2.gz PLQYUNFQWSWCPA-OUCADQQQSA-N 1 0 326.418 2.186 20 5 EEBDRO COc1ccccc1Cn1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168998309 803564108 /nfs/dbraw/zinc/56/41/08/803564108.db2.gz LDFHCPCAFXWXKQ-HOCLYGCPSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCCN1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988012 803572615 /nfs/dbraw/zinc/57/26/15/803572615.db2.gz MNVNBMJWJAZATD-KKUMJFAQSA-N 1 0 341.452 2.175 20 5 EEBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001168990724 803573794 /nfs/dbraw/zinc/57/37/94/803573794.db2.gz DSOIEHWKMWRBLV-ULQDDVLXSA-N 1 0 333.432 2.305 20 5 EEBDRO Cc1cnc(C[NH3+])n1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001169027622 803575416 /nfs/dbraw/zinc/57/54/16/803575416.db2.gz AGTHSWZEGHIJFQ-UHFFFAOYSA-N 1 0 329.129 2.449 20 5 EEBDRO O=C1Cc2ccccc2N1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169026547 803592443 /nfs/dbraw/zinc/59/24/43/803592443.db2.gz MHPZCHLSNSTDFU-PBHICJAKSA-N 1 0 343.427 2.486 20 5 EEBDRO CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047605 803593501 /nfs/dbraw/zinc/59/35/01/803593501.db2.gz RMELBBIRRWLWIP-STQMWFEESA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCc1ncn2c1C[NH2+]CCC2 ZINC001169236394 803663683 /nfs/dbraw/zinc/66/36/83/803663683.db2.gz CUJSZLSFMRIGSQ-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1nncc1C[NH3+] ZINC001169310947 803698741 /nfs/dbraw/zinc/69/87/41/803698741.db2.gz OZVOVFZZPFXHNH-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790912080 808995141 /nfs/dbraw/zinc/99/51/41/808995141.db2.gz NGWUSXFBIPPGSW-NXEZZACHSA-N 1 0 343.786 2.481 20 5 EEBDRO C[NH+](C)CCCOC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000792010174 809541918 /nfs/dbraw/zinc/54/19/18/809541918.db2.gz GTIDTNYAZLDGIP-UHFFFAOYSA-N 1 0 345.193 2.395 20 5 EEBDRO COCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170321885 809890228 /nfs/dbraw/zinc/89/02/28/809890228.db2.gz DMPRSFNLSOQZAM-CYBMUJFWSA-N 1 0 338.404 2.320 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3nn(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170344573 809916390 /nfs/dbraw/zinc/91/63/90/809916390.db2.gz CGTONONXIQBPNQ-GFCCVEGCSA-N 1 0 330.388 2.326 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001130974774 812243570 /nfs/dbraw/zinc/24/35/70/812243570.db2.gz NXXYIFTZZAKEJO-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000808784716 812853394 /nfs/dbraw/zinc/85/33/94/812853394.db2.gz YVFCRTAQNVYSKL-LZWOXQAQSA-N 1 0 335.379 2.471 20 5 EEBDRO O=C(CC[N@H+]1CCCC[C@@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000181683259 234284522 /nfs/dbraw/zinc/28/45/22/234284522.db2.gz GBPSFAWTDFZTHT-GFCCVEGCSA-N 1 0 339.367 2.299 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186919886 236064443 /nfs/dbraw/zinc/06/44/43/236064443.db2.gz RDNOJUOENHWTNX-HNNXBMFYSA-N 1 0 336.417 2.093 20 5 EEBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000026885408 201062541 /nfs/dbraw/zinc/06/25/41/201062541.db2.gz MTNSRTGTCUYOIE-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000414539413 238699924 /nfs/dbraw/zinc/69/99/24/238699924.db2.gz DJGHSSLVHRGXNZ-JLHYYAGUSA-N 1 0 326.418 2.413 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237612041 201150934 /nfs/dbraw/zinc/15/09/34/201150934.db2.gz SCZRVWPWJDVXPE-UHFFFAOYSA-N 1 0 347.824 2.106 20 5 EEBDRO CC(C)C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000080246180 201298723 /nfs/dbraw/zinc/29/87/23/201298723.db2.gz LEWPTSMASFOQMG-CQSZACIVSA-N 1 0 336.436 2.124 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000422797051 240233237 /nfs/dbraw/zinc/23/32/37/240233237.db2.gz LCYWFWRLSRKOOU-AWEZNQCLSA-N 1 0 345.403 2.364 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1O ZINC000426224774 241239064 /nfs/dbraw/zinc/23/90/64/241239064.db2.gz CHUIWPDUOADQJC-ZIAGYGMSSA-N 1 0 341.795 2.422 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000445896401 242141041 /nfs/dbraw/zinc/14/10/41/242141041.db2.gz HZUSSOOEKUTQEK-DOMZBBRYSA-N 1 0 332.404 2.145 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447318580 242265576 /nfs/dbraw/zinc/26/55/76/242265576.db2.gz KQOMLOOWGFOKQN-CVEARBPZSA-N 1 0 344.415 2.289 20 5 EEBDRO CN(C)C(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000451411210 243103416 /nfs/dbraw/zinc/10/34/16/243103416.db2.gz LSCANFGTBIQPMJ-UHFFFAOYSA-N 1 0 345.403 2.352 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000247500799 243433865 /nfs/dbraw/zinc/43/38/65/243433865.db2.gz UZEOOMWCAYFAGV-IUODEOHRSA-N 1 0 337.445 2.486 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000456544037 244284957 /nfs/dbraw/zinc/28/49/57/244284957.db2.gz GBPVBJYGFVFZBD-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857779 203249896 /nfs/dbraw/zinc/24/98/96/203249896.db2.gz JJCLCELSQOIHKV-ZDUSSCGKSA-N 1 0 335.404 2.235 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262777521 245174849 /nfs/dbraw/zinc/17/48/49/245174849.db2.gz LWZUMDHCVVZTDR-JQWIXIFHSA-N 1 0 341.795 2.131 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763412 245239679 /nfs/dbraw/zinc/23/96/79/245239679.db2.gz OALJNNWMMHUKHR-BZUAXINKSA-N 1 0 345.399 2.247 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000114147979 204465973 /nfs/dbraw/zinc/46/59/73/204465973.db2.gz RIAFRZLYKSHIHX-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCSC1 ZINC000129441296 205195041 /nfs/dbraw/zinc/19/50/41/205195041.db2.gz QGFGLNHRNWQKKD-NSHDSACASA-N 1 0 327.381 2.500 20 5 EEBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000133104238 205355174 /nfs/dbraw/zinc/35/51/74/205355174.db2.gz UYLCCKLVKXXQFP-OAHLLOKOSA-N 1 0 333.388 2.485 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000133767823 205376905 /nfs/dbraw/zinc/37/69/05/205376905.db2.gz IUTBPLQZMSLLAR-GVDBMIGSSA-N 1 0 330.388 2.078 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000112075227 220239221 /nfs/dbraw/zinc/23/92/21/220239221.db2.gz YHTBGNOIOSSNIL-CYBMUJFWSA-N 1 0 334.420 2.488 20 5 EEBDRO CC1CC[NH+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000153438696 205851406 /nfs/dbraw/zinc/85/14/06/205851406.db2.gz WLJOEEYYAQZNFL-UHFFFAOYSA-N 1 0 332.448 2.449 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000157400966 206134772 /nfs/dbraw/zinc/13/47/72/206134772.db2.gz VDNDXODNMVBJDR-HNNXBMFYSA-N 1 0 344.371 2.400 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492124263 246312090 /nfs/dbraw/zinc/31/20/90/246312090.db2.gz HUQOWKBBFCWBAO-YKWSDOKYSA-N 1 0 333.363 2.346 20 5 EEBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264358926 246398858 /nfs/dbraw/zinc/39/88/58/246398858.db2.gz DKUDAPPAUIECDD-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000265028205 247144906 /nfs/dbraw/zinc/14/49/06/247144906.db2.gz UHWNOEPKCPPWOS-UHFFFAOYSA-N 1 0 334.376 2.305 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000265101153 247204112 /nfs/dbraw/zinc/20/41/12/247204112.db2.gz DXQRCGNTDFBZAD-CVEARBPZSA-N 1 0 333.388 2.485 20 5 EEBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160332210 206291351 /nfs/dbraw/zinc/29/13/51/206291351.db2.gz DDJACZSMLLVPBD-UHFFFAOYSA-N 1 0 332.282 2.391 20 5 EEBDRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552372 248357477 /nfs/dbraw/zinc/35/74/77/248357477.db2.gz UOJIWAZPLJOTJY-MRXNPFEDSA-N 1 0 336.367 2.202 20 5 EEBDRO Nc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000176916710 207273935 /nfs/dbraw/zinc/27/39/35/207273935.db2.gz LIPLAPFFTVIILF-CYBMUJFWSA-N 1 0 332.404 2.125 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]([NH+]4CC=CC4)C3)n2)cc1 ZINC000486964015 285106864 /nfs/dbraw/zinc/10/68/64/285106864.db2.gz AJUWKHPXHSPJMP-CQSZACIVSA-N 1 0 327.344 2.095 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(C)(=O)=O ZINC000271178222 256216590 /nfs/dbraw/zinc/21/65/90/256216590.db2.gz VINSCBZYVUYYNU-NSHDSACASA-N 1 0 332.447 2.100 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000271059814 256203601 /nfs/dbraw/zinc/20/36/01/256203601.db2.gz UXIYWKDTNMQHGO-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cn1 ZINC000274027929 256347439 /nfs/dbraw/zinc/34/74/39/256347439.db2.gz WSLYADQWFQKNHI-UHFFFAOYSA-N 1 0 337.330 2.231 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000275964444 256391259 /nfs/dbraw/zinc/39/12/59/256391259.db2.gz CHRWTACCFAJOHX-WDEREUQCSA-N 1 0 345.346 2.088 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C[NH+]1CCCC1 ZINC000276373419 256426431 /nfs/dbraw/zinc/42/64/31/256426431.db2.gz XLASCAKIOJFLIH-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000119733027 142375276 /nfs/dbraw/zinc/37/52/76/142375276.db2.gz OCXDOWADLLLNEG-CQSZACIVSA-N 1 0 349.435 2.099 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000349050004 144825052 /nfs/dbraw/zinc/82/50/52/144825052.db2.gz IXSSVVCOVLTLLR-JTQLQIEISA-N 1 0 330.319 2.197 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000119735073 292248027 /nfs/dbraw/zinc/24/80/27/292248027.db2.gz PKGPOAHOJWPVED-DOMZBBRYSA-N 1 0 338.404 2.270 20 5 EEBDRO COC(=O)COc1ccc(CNc2cc(OC)cc[nH+]2)cc1[N+](=O)[O-] ZINC000352309591 153049218 /nfs/dbraw/zinc/04/92/18/153049218.db2.gz YXBDGRKWPNBPPV-UHFFFAOYSA-N 1 0 347.327 2.162 20 5 EEBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 ZINC000374316242 154047600 /nfs/dbraw/zinc/04/76/00/154047600.db2.gz OGIQYVPCUQABPC-MRXNPFEDSA-N 1 0 341.367 2.324 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000253359604 160394742 /nfs/dbraw/zinc/39/47/42/160394742.db2.gz YGLSHOPTMQXIHY-KBPBESRZSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313986370 160531477 /nfs/dbraw/zinc/53/14/77/160531477.db2.gz NAQXNMIRFHCCEY-VIFPVBQESA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236730111 286824253 /nfs/dbraw/zinc/82/42/53/286824253.db2.gz MXDABSFNKUPZOH-ZDUSSCGKSA-N 1 0 334.420 2.156 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000342116707 161040948 /nfs/dbraw/zinc/04/09/48/161040948.db2.gz YPGHKTKJYGZTJJ-NWANDNLSSA-N 1 0 343.387 2.204 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342699450 161084104 /nfs/dbraw/zinc/08/41/04/161084104.db2.gz IQTTVUJYVHOFNE-CABCVRRESA-N 1 0 338.404 2.083 20 5 EEBDRO [NH3+]CC1CCC(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000343632330 161152651 /nfs/dbraw/zinc/15/26/51/161152651.db2.gz VHGLZFPQHNSPLJ-UHFFFAOYSA-N 1 0 334.420 2.278 20 5 EEBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000344888103 161254071 /nfs/dbraw/zinc/25/40/71/161254071.db2.gz KLFYGLSVHOVUKW-CYBMUJFWSA-N 1 0 344.371 2.358 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345166017 161278196 /nfs/dbraw/zinc/27/81/96/161278196.db2.gz VKTMQEWNSPIPAD-STQMWFEESA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352030845 162037660 /nfs/dbraw/zinc/03/76/60/162037660.db2.gz XNNKHQIZHVVNCN-VXGBXAGGSA-N 1 0 330.388 2.170 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352439045 162135518 /nfs/dbraw/zinc/13/55/18/162135518.db2.gz OAGOAVRVNPCWIS-HUUCEWRRSA-N 1 0 340.383 2.127 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000352660423 162233149 /nfs/dbraw/zinc/23/31/49/162233149.db2.gz RUFKJOKSWFFRET-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368068380 166045454 /nfs/dbraw/zinc/04/54/54/166045454.db2.gz HXFBFEWNXCSWSB-QGZVFWFLSA-N 1 0 335.404 2.264 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363027209 164859552 /nfs/dbraw/zinc/85/95/52/164859552.db2.gz WTIZOHUASSDXGR-CHWSQXEVSA-N 1 0 332.404 2.017 20 5 EEBDRO CN(CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000369728364 166322140 /nfs/dbraw/zinc/32/21/40/166322140.db2.gz YWZBDUXZRUPYPP-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO CCCN(CCC)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373239997 166852605 /nfs/dbraw/zinc/85/26/05/166852605.db2.gz FYVXDHGMPRABGM-UHFFFAOYSA-N 1 0 337.424 2.077 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000374049698 167009667 /nfs/dbraw/zinc/00/96/67/167009667.db2.gz KVMPJBLPRZHREG-KRWDZBQOSA-N 1 0 348.378 2.171 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccnc1 ZINC000272668454 269006751 /nfs/dbraw/zinc/00/67/51/269006751.db2.gz IJTHISLSUUACOB-JTQLQIEISA-N 1 0 344.327 2.008 20 5 EEBDRO CC(=O)c1ccc(N[C@@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000274470663 269036351 /nfs/dbraw/zinc/03/63/51/269036351.db2.gz MHNXAOLYZDQAHE-ZDUSSCGKSA-N 1 0 334.420 2.235 20 5 EEBDRO COCCC[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275360095 269110402 /nfs/dbraw/zinc/11/04/02/269110402.db2.gz LIBHZMAWTOTXBW-UHFFFAOYSA-N 1 0 334.420 2.476 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275438759 269115936 /nfs/dbraw/zinc/11/59/36/269115936.db2.gz KAKGEKFMNQEVAZ-OAHLLOKOSA-N 1 0 335.404 2.325 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277473073 269158614 /nfs/dbraw/zinc/15/86/14/269158614.db2.gz QDNXKNFSBLTXBZ-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCO1 ZINC000277993585 269204690 /nfs/dbraw/zinc/20/46/90/269204690.db2.gz NCIVTJLUXZPMPJ-CYBMUJFWSA-N 1 0 334.420 2.476 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279907759 269315065 /nfs/dbraw/zinc/31/50/65/269315065.db2.gz VLFSJFCGTGHHAI-HIFRSBDPSA-N 1 0 347.415 2.109 20 5 EEBDRO Cc1cc(OCC(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000280422322 269360923 /nfs/dbraw/zinc/36/09/23/269360923.db2.gz BOOITKMYIFGTML-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1CC(C)(C)O ZINC000275481443 274250123 /nfs/dbraw/zinc/25/01/23/274250123.db2.gz JJWBLUATQYYCOF-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285385772 274722090 /nfs/dbraw/zinc/72/20/90/274722090.db2.gz BSSHVFNKYDVWPG-KBPBESRZSA-N 1 0 332.404 2.092 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075851 274833991 /nfs/dbraw/zinc/83/39/91/274833991.db2.gz JWFGREZPOFDCIM-CMPLNLGQSA-N 1 0 341.795 2.327 20 5 EEBDRO O=c1[nH]c(N2CCC[C@@H]([NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376158900 275038777 /nfs/dbraw/zinc/03/87/77/275038777.db2.gz RLFXOGPQZVDTJJ-CYBMUJFWSA-N 1 0 343.387 2.308 20 5 EEBDRO Cc1ccc(NCCCNC(=O)CC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000292078268 275372682 /nfs/dbraw/zinc/37/26/82/275372682.db2.gz LVGUDZYOOGWHTC-CQSZACIVSA-N 1 0 334.420 2.354 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000479469296 276043975 /nfs/dbraw/zinc/04/39/75/276043975.db2.gz GHUWIFKVXMPFAV-HNNXBMFYSA-N 1 0 348.447 2.410 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119735767 277062821 /nfs/dbraw/zinc/06/28/21/277062821.db2.gz LPFDFZRIXIEJDY-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713465 277275916 /nfs/dbraw/zinc/27/59/16/277275916.db2.gz WVHJWXYNQXJUBK-VIFPVBQESA-N 1 0 329.198 2.188 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494386127 279120106 /nfs/dbraw/zinc/12/01/06/279120106.db2.gz MLRBYENBTRRJQY-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336849956 279254722 /nfs/dbraw/zinc/25/47/22/279254722.db2.gz UVYBAVVPZAYEBQ-SECBINFHSA-N 1 0 335.813 2.044 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261832254 280167643 /nfs/dbraw/zinc/16/76/43/280167643.db2.gz IHFDZJSNQLFOSV-AWEZNQCLSA-N 1 0 334.763 2.363 20 5 EEBDRO Cc1cc(NCCN2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360923410 280299357 /nfs/dbraw/zinc/29/93/57/280299357.db2.gz AVYQIQBLAONWDS-CYBMUJFWSA-N 1 0 330.388 2.006 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000281931049 292797747 /nfs/dbraw/zinc/79/77/47/292797747.db2.gz AYZNIYNNUXSREX-KCQAQPDRSA-N 1 0 337.395 2.370 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293070041 293117588 /nfs/dbraw/zinc/11/75/88/293117588.db2.gz VIRDIGBFQLNQBB-CZUORRHYSA-N 1 0 345.403 2.385 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293738014 293283129 /nfs/dbraw/zinc/28/31/29/293283129.db2.gz QZKVNGNHKJDXCM-LBPRGKRZSA-N 1 0 332.404 2.123 20 5 EEBDRO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943228 293333409 /nfs/dbraw/zinc/33/34/09/293333409.db2.gz YSZJYQYBCSDHEI-KGLIPLIRSA-N 1 0 348.447 2.329 20 5 EEBDRO CCCNC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000297927735 294375711 /nfs/dbraw/zinc/37/57/11/294375711.db2.gz QXXQBPPNSHFGCG-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO CCCNC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297937690 294378106 /nfs/dbraw/zinc/37/81/06/294378106.db2.gz RSWIELGPFNHSFQ-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000164917908 311390225 /nfs/dbraw/zinc/39/02/25/311390225.db2.gz JDBRAFLSNRMSBT-YOEHRIQHSA-N 1 0 349.431 2.437 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000332370405 311996630 /nfs/dbraw/zinc/99/66/30/311996630.db2.gz AOFCEETYADWZMJ-IRXDYDNUSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000332676292 312044058 /nfs/dbraw/zinc/04/40/58/312044058.db2.gz QMBYNDGKHXXKNM-SJORKVTESA-N 1 0 347.415 2.495 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000417171218 313440255 /nfs/dbraw/zinc/44/02/55/313440255.db2.gz DMHUUMDMAISHAW-RISCZKNCSA-N 1 0 336.392 2.015 20 5 EEBDRO CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000417237236 313460123 /nfs/dbraw/zinc/46/01/23/313460123.db2.gz WBQCORKJBULLIH-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000418603480 313858088 /nfs/dbraw/zinc/85/80/88/313858088.db2.gz NXJCGDZKDUQKCN-GXTWGEPZSA-N 1 0 332.404 2.409 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH3+])CCCCC2)c1 ZINC000420410038 313951863 /nfs/dbraw/zinc/95/18/63/313951863.db2.gz ZLOBGTUVYBABQQ-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434698206 314858163 /nfs/dbraw/zinc/85/81/63/314858163.db2.gz DDYJRHJZSFPAPN-JBLDHEPKSA-N 1 0 341.795 2.272 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444678383 315316003 /nfs/dbraw/zinc/31/60/03/315316003.db2.gz WUSLPYPOOTWAJD-PBHICJAKSA-N 1 0 348.403 2.127 20 5 EEBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444786886 315324582 /nfs/dbraw/zinc/32/45/82/315324582.db2.gz VNWIDRBKPPOLJP-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452022827 315483936 /nfs/dbraw/zinc/48/39/36/315483936.db2.gz WUCWSYBAQFNJJO-TZMCWYRMSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(C)(=O)=O ZINC000533588305 317922132 /nfs/dbraw/zinc/92/21/32/317922132.db2.gz LDTGVWNKRYFUGQ-LLVKDONJSA-N 1 0 338.385 2.378 20 5 EEBDRO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000541282556 318095265 /nfs/dbraw/zinc/09/52/65/318095265.db2.gz RJXVSTIRKDFLKT-UHFFFAOYSA-N 1 0 326.418 2.489 20 5 EEBDRO C[C@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562299972 318866956 /nfs/dbraw/zinc/86/69/56/318866956.db2.gz VIYUNASLZRZDTR-AWEZNQCLSA-N 1 0 349.431 2.268 20 5 EEBDRO [NH3+]CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000565096408 319148506 /nfs/dbraw/zinc/14/85/06/319148506.db2.gz QLIKLTDKBCWFGK-UHFFFAOYSA-N 1 0 340.811 2.248 20 5 EEBDRO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CC(C)C1 ZINC000569707354 319601462 /nfs/dbraw/zinc/60/14/62/319601462.db2.gz BTSYTAWBZBXIPY-LBPRGKRZSA-N 1 0 330.388 2.075 20 5 EEBDRO CCc1ccnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573237935 319916515 /nfs/dbraw/zinc/91/65/15/319916515.db2.gz GFQNFPOFRYJTMW-HNNXBMFYSA-N 1 0 331.372 2.082 20 5 EEBDRO COc1ccc(CC(=O)Nc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000575087518 320085990 /nfs/dbraw/zinc/08/59/90/320085990.db2.gz QXEKFDPOJBVSLY-UHFFFAOYSA-N 1 0 330.344 2.317 20 5 EEBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000575179376 320093673 /nfs/dbraw/zinc/09/36/73/320093673.db2.gz XMSFXZAIBARCRB-HNNXBMFYSA-N 1 0 344.371 2.249 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000576398790 320168227 /nfs/dbraw/zinc/16/82/27/320168227.db2.gz ZJYHZYNIAZMVQN-GFCCVEGCSA-N 1 0 332.360 2.286 20 5 EEBDRO Cc1cccnc1CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577215904 320242604 /nfs/dbraw/zinc/24/26/04/320242604.db2.gz AJGRTLOAPHGBAV-HNNXBMFYSA-N 1 0 345.399 2.260 20 5 EEBDRO CCOc1cccc(NC[C@H](C)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000183143695 323399721 /nfs/dbraw/zinc/39/97/21/323399721.db2.gz FYWQVJBRTBLDQB-AWEZNQCLSA-N 1 0 336.436 2.431 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000152573024 462549802 /nfs/dbraw/zinc/54/98/02/462549802.db2.gz JWWRJYCCCUODGT-TZMCWYRMSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000354580841 465035681 /nfs/dbraw/zinc/03/56/81/465035681.db2.gz TXZVMQQHZVXGEC-ZIAGYGMSSA-N 1 0 327.388 2.484 20 5 EEBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862438 465056746 /nfs/dbraw/zinc/05/67/46/465056746.db2.gz JGWFZLPTPCUXOO-UONOGXRCSA-N 1 0 326.418 2.349 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(CCCn2ccnc2)CC1 ZINC000341245090 465073868 /nfs/dbraw/zinc/07/38/68/465073868.db2.gz ZWPASYGQBZOLGV-UHFFFAOYSA-N 1 0 331.376 2.452 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165384 465101184 /nfs/dbraw/zinc/10/11/84/465101184.db2.gz KSDVQQWQLCYBCJ-MAUKXSAKSA-N 1 0 347.415 2.277 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209145 465117702 /nfs/dbraw/zinc/11/77/02/465117702.db2.gz FYVLKAQINXTQFV-GOEBONIOSA-N 1 0 333.432 2.459 20 5 EEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000341503019 465203291 /nfs/dbraw/zinc/20/32/91/465203291.db2.gz VOXNESMDUPYJKC-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000358650917 465243216 /nfs/dbraw/zinc/24/32/16/465243216.db2.gz MSFFWRVTQDFABQ-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321511 462585303 /nfs/dbraw/zinc/58/53/03/462585303.db2.gz QOQMGAFEOIVBGP-CYBMUJFWSA-N 1 0 349.435 2.074 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000114198507 462631737 /nfs/dbraw/zinc/63/17/37/462631737.db2.gz IDCUUNYLZUMXDX-NSHDSACASA-N 1 0 340.811 2.070 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000046034117 462639189 /nfs/dbraw/zinc/63/91/89/462639189.db2.gz WBBMIBDGDPHKND-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153433764 462650051 /nfs/dbraw/zinc/65/00/51/462650051.db2.gz OQWPVKDGIBFKJG-ZDUSSCGKSA-N 1 0 340.383 2.357 20 5 EEBDRO CC1(C)CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCO ZINC000590698686 468311132 /nfs/dbraw/zinc/31/11/32/468311132.db2.gz PHRQBUIDXFLQHR-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064333685 462696239 /nfs/dbraw/zinc/69/62/39/462696239.db2.gz LQGQKOISVKWOSN-UHFFFAOYSA-N 1 0 347.415 2.169 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](C)CC1 ZINC000129610390 462715923 /nfs/dbraw/zinc/71/59/23/462715923.db2.gz ZVBPOYOEIOVUPH-NSHDSACASA-N 1 0 341.795 2.180 20 5 EEBDRO C[NH+](C)CCn1nnnc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000154488810 462774508 /nfs/dbraw/zinc/77/45/08/462774508.db2.gz FSWSYHQULPPHFX-UHFFFAOYSA-N 1 0 342.812 2.089 20 5 EEBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000065867131 462835295 /nfs/dbraw/zinc/83/52/95/462835295.db2.gz XLYHLMFAUNPEHZ-KGLIPLIRSA-N 1 0 334.420 2.386 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000119194183 462880633 /nfs/dbraw/zinc/88/06/33/462880633.db2.gz UMGFMDZZDXWBHF-AWEZNQCLSA-N 1 0 331.376 2.107 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)O1 ZINC000119815234 462930104 /nfs/dbraw/zinc/93/01/04/462930104.db2.gz JDFGCMFVLCGLLL-HNNXBMFYSA-N 1 0 347.415 2.420 20 5 EEBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000568382245 468327454 /nfs/dbraw/zinc/32/74/54/468327454.db2.gz UNKZSTJAVZSVMA-UKRRQHHQSA-N 1 0 326.418 2.210 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000092655497 462969603 /nfs/dbraw/zinc/96/96/03/462969603.db2.gz ICGZDPNPKOEOPF-JTQLQIEISA-N 1 0 334.405 2.045 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067283432 462988197 /nfs/dbraw/zinc/98/81/97/462988197.db2.gz YCAOSMGSIZZHND-CYBMUJFWSA-N 1 0 330.388 2.136 20 5 EEBDRO C[C@@H]1COC[C@H](C)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000120901825 463053429 /nfs/dbraw/zinc/05/34/29/463053429.db2.gz PRVUBQNBCMWWEJ-TXEJJXNPSA-N 1 0 335.360 2.002 20 5 EEBDRO COc1ccc(CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000067905789 463064710 /nfs/dbraw/zinc/06/47/10/463064710.db2.gz VTOBZJDKDUQKPU-UHFFFAOYSA-N 1 0 347.415 2.233 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000122411740 463261982 /nfs/dbraw/zinc/26/19/82/463261982.db2.gz AQWZKHSBTDQAEA-KBPBESRZSA-N 1 0 349.435 2.055 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000122877902 463298729 /nfs/dbraw/zinc/29/87/29/463298729.db2.gz NRBNNQRFJANGQM-UHFFFAOYSA-N 1 0 347.462 2.117 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080474288 463322024 /nfs/dbraw/zinc/32/20/24/463322024.db2.gz VCHHZVMRXVVAAU-INIZCTEOSA-N 1 0 331.416 2.328 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000124186628 463397119 /nfs/dbraw/zinc/39/71/19/463397119.db2.gz LYTDLCROEOFKSC-HNNXBMFYSA-N 1 0 348.447 2.491 20 5 EEBDRO C[N@H+](CCCn1ccnc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124434740 463422248 /nfs/dbraw/zinc/42/22/48/463422248.db2.gz XVXCDJYYKUMFLV-UHFFFAOYSA-N 1 0 331.376 2.142 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000081364767 463424918 /nfs/dbraw/zinc/42/49/18/463424918.db2.gz XFZYWONIMQIXAF-HNNXBMFYSA-N 1 0 348.447 2.221 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057719918 463513678 /nfs/dbraw/zinc/51/36/78/463513678.db2.gz PQMDQVOYXIVCEO-CYBMUJFWSA-N 1 0 346.431 2.408 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000043147812 463624312 /nfs/dbraw/zinc/62/43/12/463624312.db2.gz HHUYMWASXVTESX-UHFFFAOYSA-N 1 0 349.435 2.180 20 5 EEBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964403 463637315 /nfs/dbraw/zinc/63/73/15/463637315.db2.gz PNKJHDCIJNKAFM-XJKSGUPXSA-N 1 0 335.404 2.129 20 5 EEBDRO Cc1nn(C)c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000126461986 463637882 /nfs/dbraw/zinc/63/78/82/463637882.db2.gz XZOFDXKLVSVGRK-GFCCVEGCSA-N 1 0 337.424 2.021 20 5 EEBDRO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000185041653 463740607 /nfs/dbraw/zinc/74/06/07/463740607.db2.gz ONANZYBCDJEJHQ-NWDGAFQWSA-N 1 0 337.401 2.450 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000177793363 463792675 /nfs/dbraw/zinc/79/26/75/463792675.db2.gz ZAKIUOCMCUUBEQ-HIFRSBDPSA-N 1 0 333.388 2.059 20 5 EEBDRO COCCN1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000268901073 463801033 /nfs/dbraw/zinc/80/10/33/463801033.db2.gz LBBSADFCKPVGJZ-DLBZAZTESA-N 1 0 333.432 2.226 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000283232994 463813230 /nfs/dbraw/zinc/81/32/30/463813230.db2.gz UHOWJXXXYMGFBX-NXEZZACHSA-N 1 0 328.340 2.420 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287233606 463842300 /nfs/dbraw/zinc/84/23/00/463842300.db2.gz JLQRUTXHJQUOKE-NSHDSACASA-N 1 0 331.376 2.022 20 5 EEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C2([NH3+])CCCC2)no1 ZINC000261789904 463859978 /nfs/dbraw/zinc/85/99/78/463859978.db2.gz OKZWTFDSBQXVJV-JTQLQIEISA-N 1 0 349.395 2.311 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194488816 463872524 /nfs/dbraw/zinc/87/25/24/463872524.db2.gz SMGKAKQYXQACHH-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166803 463895550 /nfs/dbraw/zinc/89/55/50/463895550.db2.gz KODIHWQISSKYKD-UKRRQHHQSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)C ZINC000283524862 463914072 /nfs/dbraw/zinc/91/40/72/463914072.db2.gz QUYZBMBFWOLJGY-UHFFFAOYSA-N 1 0 326.372 2.165 20 5 EEBDRO CCOC(=O)CC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178558189 463921018 /nfs/dbraw/zinc/92/10/18/463921018.db2.gz ZLGCHFFRLIGIIM-UHFFFAOYSA-N 1 0 337.376 2.117 20 5 EEBDRO Nc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000283609793 463942674 /nfs/dbraw/zinc/94/26/74/463942674.db2.gz RPOPENNCVSCNAA-MRXNPFEDSA-N 1 0 342.399 2.008 20 5 EEBDRO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000269326725 463953771 /nfs/dbraw/zinc/95/37/71/463953771.db2.gz LDNVVXHNJSJJHE-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CC[NH2+]CC1 ZINC000262173458 463964926 /nfs/dbraw/zinc/96/49/26/463964926.db2.gz PGKFTQYZYYYTMG-UHFFFAOYSA-N 1 0 335.407 2.023 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262392949 464017038 /nfs/dbraw/zinc/01/70/38/464017038.db2.gz PTBPBMVXSFTPOA-SECBINFHSA-N 1 0 344.209 2.014 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000179361186 464118633 /nfs/dbraw/zinc/11/86/33/464118633.db2.gz BERZIDLNYGOXBO-UHFFFAOYSA-N 1 0 344.415 2.419 20 5 EEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292248618 464173021 /nfs/dbraw/zinc/17/30/21/464173021.db2.gz QSEMKERZRKKXEX-GUYCJALGSA-N 1 0 343.383 2.221 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@H]1O ZINC000270117191 464191880 /nfs/dbraw/zinc/19/18/80/464191880.db2.gz NFPIXXGAMMTBSB-QMTHXVAHSA-N 1 0 341.795 2.280 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCC2)o1 ZINC000263824256 464206829 /nfs/dbraw/zinc/20/68/29/464206829.db2.gz RMXGIQYLJFUJMA-CYBMUJFWSA-N 1 0 332.360 2.391 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CO)C1 ZINC000263850596 464215008 /nfs/dbraw/zinc/21/50/08/464215008.db2.gz GMYISJQXRGXGRO-NEPJUHHUSA-N 1 0 332.360 2.410 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237408576 464315026 /nfs/dbraw/zinc/31/50/26/464315026.db2.gz OWBMPAJTJZAZJN-KBPBESRZSA-N 1 0 334.420 2.373 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000173836968 464320404 /nfs/dbraw/zinc/32/04/04/464320404.db2.gz PLQZKQMBLWTEPU-AWEZNQCLSA-N 1 0 347.415 2.134 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000173839188 464320763 /nfs/dbraw/zinc/32/07/63/464320763.db2.gz KBRGHGHNYUTMFD-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000173923649 464332151 /nfs/dbraw/zinc/33/21/51/464332151.db2.gz DNTTYVRVMKYHDR-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264544486 464368102 /nfs/dbraw/zinc/36/81/02/464368102.db2.gz BHLQMEGYICKDKX-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000281208833 464372284 /nfs/dbraw/zinc/37/22/84/464372284.db2.gz LLTCSAPLSLZWNT-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000271773881 464380576 /nfs/dbraw/zinc/38/05/76/464380576.db2.gz JDDPIZILMKPSJN-ONGXEEELSA-N 1 0 342.758 2.296 20 5 EEBDRO CSc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294230817 464439647 /nfs/dbraw/zinc/43/96/47/464439647.db2.gz AQONBOGYFGQAFK-LBPRGKRZSA-N 1 0 349.416 2.073 20 5 EEBDRO CC(C)[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174865863 464459459 /nfs/dbraw/zinc/45/94/59/464459459.db2.gz YWFOYYXCYIPZIK-QGZVFWFLSA-N 1 0 332.404 2.310 20 5 EEBDRO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000245947426 464529832 /nfs/dbraw/zinc/52/98/32/464529832.db2.gz RZFNHBORBBDEAE-JMSVASOKSA-N 1 0 331.372 2.205 20 5 EEBDRO CSCC[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182179864 464591096 /nfs/dbraw/zinc/59/10/96/464591096.db2.gz PZCHCIDKDJUVPM-STQMWFEESA-N 1 0 328.434 2.408 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+](C)C ZINC000272417433 464601591 /nfs/dbraw/zinc/60/15/91/464601591.db2.gz ZQYMUSMCPXKTCA-ZIAGYGMSSA-N 1 0 338.433 2.413 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593884970 468419575 /nfs/dbraw/zinc/41/95/75/468419575.db2.gz YTXGPHQIMPLACU-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO O=C(C[NH2+][C@H]1CCCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282144682 464713799 /nfs/dbraw/zinc/71/37/99/464713799.db2.gz SDRYMHKMMBAGCN-HNNXBMFYSA-N 1 0 333.388 2.472 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000265902885 464726240 /nfs/dbraw/zinc/72/62/40/464726240.db2.gz DNQSZXRWMROVBU-UHFFFAOYSA-N 1 0 339.395 2.424 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC2)CC1 ZINC000266434292 464774107 /nfs/dbraw/zinc/77/41/07/464774107.db2.gz UULWPWRDUUUXIM-UHFFFAOYSA-N 1 0 346.387 2.226 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286145649 464818880 /nfs/dbraw/zinc/81/88/80/464818880.db2.gz PRTMWYHJEAJYAP-ZDUSSCGKSA-N 1 0 343.387 2.124 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000266852022 464844913 /nfs/dbraw/zinc/84/49/13/464844913.db2.gz PTYHSNAULHDLEP-UHFFFAOYSA-N 1 0 339.461 2.329 20 5 EEBDRO CC[C@@H](CO)[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000295787448 464964048 /nfs/dbraw/zinc/96/40/48/464964048.db2.gz UWHMIWUVGKJIQS-NSHDSACASA-N 1 0 348.346 2.450 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000192739795 464988645 /nfs/dbraw/zinc/98/86/45/464988645.db2.gz BPCCPLBKFMEUBZ-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000342483236 465324919 /nfs/dbraw/zinc/32/49/19/465324919.db2.gz YTUVEQVEBHFBPC-QWRGUYRKSA-N 1 0 331.376 2.163 20 5 EEBDRO CC(C)C(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000337363824 465327976 /nfs/dbraw/zinc/32/79/76/465327976.db2.gz KQRXYUOAZJNIJZ-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593918819 468433598 /nfs/dbraw/zinc/43/35/98/468433598.db2.gz JYLKUCCNNJVIHF-UHFFFAOYSA-N 1 0 332.404 2.289 20 5 EEBDRO Cc1c(CNC(=O)N(C)CC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000359545229 465445668 /nfs/dbraw/zinc/44/56/68/465445668.db2.gz QXOFOWOKCRWTDQ-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000348141604 465447052 /nfs/dbraw/zinc/44/70/52/465447052.db2.gz ZBVULTVJLAVEHK-OLZOCXBDSA-N 1 0 349.387 2.298 20 5 EEBDRO COc1ccccc1[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554635305 468434104 /nfs/dbraw/zinc/43/41/04/468434104.db2.gz HYQLVXPUEKRGDG-MRXNPFEDSA-N 1 0 332.356 2.305 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000348164380 465460897 /nfs/dbraw/zinc/46/08/97/465460897.db2.gz SRSYZCHMYKNBKE-OLZOCXBDSA-N 1 0 334.376 2.205 20 5 EEBDRO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359967841 465512639 /nfs/dbraw/zinc/51/26/39/465512639.db2.gz ZYAUGTDFYDVYLW-KGLIPLIRSA-N 1 0 345.321 2.441 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356754557 465521942 /nfs/dbraw/zinc/52/19/42/465521942.db2.gz YPXCHSNCHJRFGH-ZDUSSCGKSA-N 1 0 345.403 2.239 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000299044743 465573936 /nfs/dbraw/zinc/57/39/36/465573936.db2.gz KLESRBIFZRRISC-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000299106498 465606266 /nfs/dbraw/zinc/60/62/66/465606266.db2.gz VWHMCGQEHKWCBA-KBPBESRZSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000361077453 465748542 /nfs/dbraw/zinc/74/85/42/465748542.db2.gz BJIQKGMBPGYHSM-KGLIPLIRSA-N 1 0 329.356 2.459 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000344660451 465760416 /nfs/dbraw/zinc/76/04/16/465760416.db2.gz DFAIAFXHZSUCAX-UHFFFAOYSA-N 1 0 335.404 2.226 20 5 EEBDRO Cn1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000348787831 465792888 /nfs/dbraw/zinc/79/28/88/465792888.db2.gz SYSVVAPEPUZGTB-OAHLLOKOSA-N 1 0 342.399 2.185 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371546030 465867946 /nfs/dbraw/zinc/86/79/46/465867946.db2.gz XVVMEPQSFQRXMV-GXTWGEPZSA-N 1 0 339.342 2.430 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331026937 465903176 /nfs/dbraw/zinc/90/31/76/465903176.db2.gz BWPBFDPOEMMYIW-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000353523866 465952158 /nfs/dbraw/zinc/95/21/58/465952158.db2.gz CIDQFVBLCCZPNH-UNEWFSDZSA-N 1 0 343.431 2.490 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000338298941 465995860 /nfs/dbraw/zinc/99/58/60/465995860.db2.gz DUOVOITVVMWWPH-NEPJUHHUSA-N 1 0 337.376 2.019 20 5 EEBDRO COc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346258671 466036479 /nfs/dbraw/zinc/03/64/79/466036479.db2.gz IQOHHUKRDYWKMP-KCQAQPDRSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C([C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000331374781 466054784 /nfs/dbraw/zinc/05/47/84/466054784.db2.gz KIAABOKMNMZPAD-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@H]21 ZINC000301902482 466057279 /nfs/dbraw/zinc/05/72/79/466057279.db2.gz ODILAEYPWBLVJR-ZBFHGGJFSA-N 1 0 335.404 2.291 20 5 EEBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000361534243 466082837 /nfs/dbraw/zinc/08/28/37/466082837.db2.gz WSACCULKAZYDQY-CABCVRRESA-N 1 0 348.447 2.410 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000591446231 468471439 /nfs/dbraw/zinc/47/14/39/468471439.db2.gz VDCSBTJYQJLWJJ-KBPBESRZSA-N 1 0 340.811 2.366 20 5 EEBDRO CCOc1cc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302534324 466151641 /nfs/dbraw/zinc/15/16/41/466151641.db2.gz MDBIEJVPERQPRA-ZDUSSCGKSA-N 1 0 337.420 2.275 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155566 466191064 /nfs/dbraw/zinc/19/10/64/466191064.db2.gz GFSSXXGEAMNCGL-OLZOCXBDSA-N 1 0 334.372 2.320 20 5 EEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241682 466266531 /nfs/dbraw/zinc/26/65/31/466266531.db2.gz SKTBMLIWQSDQQS-GXTWGEPZSA-N 1 0 349.387 2.128 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1 ZINC000304553618 466306387 /nfs/dbraw/zinc/30/63/87/466306387.db2.gz VXPLFQVFVKFRAY-KRWDZBQOSA-N 1 0 330.388 2.163 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000340779471 466330855 /nfs/dbraw/zinc/33/08/55/466330855.db2.gz OLPIDLSAXYGUDP-TZMCWYRMSA-N 1 0 328.372 2.200 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332262920 466477893 /nfs/dbraw/zinc/47/78/93/466477893.db2.gz FVLHUHUOJSARPI-HNNXBMFYSA-N 1 0 346.431 2.402 20 5 EEBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332269348 466479235 /nfs/dbraw/zinc/47/92/35/466479235.db2.gz GBMIJLHJNFDCIL-BETUJISGSA-N 1 0 330.388 2.101 20 5 EEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362030352 466499498 /nfs/dbraw/zinc/49/94/98/466499498.db2.gz WFQOHCKBGLDOJG-IUODEOHRSA-N 1 0 328.340 2.026 20 5 EEBDRO CC[N@H+](C)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000311706454 466526268 /nfs/dbraw/zinc/52/62/68/466526268.db2.gz MWJDGUDPBIWAHW-JTQLQIEISA-N 1 0 333.182 2.049 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)n1 ZINC000347344492 466580388 /nfs/dbraw/zinc/58/03/88/466580388.db2.gz QLZZBHBMBQQSCL-KBPBESRZSA-N 1 0 348.428 2.292 20 5 EEBDRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000358268565 466582196 /nfs/dbraw/zinc/58/21/96/466582196.db2.gz AXXDCXROAMNLMQ-GFCCVEGCSA-N 1 0 346.387 2.110 20 5 EEBDRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000323756771 466641311 /nfs/dbraw/zinc/64/13/11/466641311.db2.gz VYTXKMWRDYBVRL-TVQRCGJNSA-N 1 0 331.294 2.314 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCC[NH2+]CC1 ZINC000364159727 466685438 /nfs/dbraw/zinc/68/54/38/466685438.db2.gz YXBPYSNIPGIWIE-HNNXBMFYSA-N 1 0 349.434 2.413 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423646502 466794008 /nfs/dbraw/zinc/79/40/08/466794008.db2.gz URMOUUMQNDDJSM-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1ccc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417195070 466799082 /nfs/dbraw/zinc/79/90/82/466799082.db2.gz RGUJSMAHDIXEHT-ZDUSSCGKSA-N 1 0 338.408 2.118 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424013282 466951861 /nfs/dbraw/zinc/95/18/61/466951861.db2.gz KKHJYBBGIVCUFV-DGCLKSJQSA-N 1 0 332.404 2.226 20 5 EEBDRO [NH3+]C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000418087212 467041474 /nfs/dbraw/zinc/04/14/74/467041474.db2.gz GHYPTQXBLWGWOC-LBPRGKRZSA-N 1 0 346.309 2.150 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000370990646 467065717 /nfs/dbraw/zinc/06/57/17/467065717.db2.gz FXTVKGXMINPZOO-DLBZAZTESA-N 1 0 347.415 2.105 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000418315854 467091887 /nfs/dbraw/zinc/09/18/87/467091887.db2.gz LATRFXPYRHYRTB-UHFFFAOYSA-N 1 0 332.404 2.324 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418337064 467094672 /nfs/dbraw/zinc/09/46/72/467094672.db2.gz JCCGOPZMKCBQLP-GDBMZVCRSA-N 1 0 346.431 2.483 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525981 467123734 /nfs/dbraw/zinc/12/37/34/467123734.db2.gz YVJZXXGVQNEMTD-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000432313345 467230644 /nfs/dbraw/zinc/23/06/44/467230644.db2.gz NCQRBNZZMTXCEP-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CC2)C1 ZINC000451097034 467247861 /nfs/dbraw/zinc/24/78/61/467247861.db2.gz YNAZRINMZISVHL-LBPRGKRZSA-N 1 0 329.404 2.387 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)[C@@H]2CCCSC2)cc1 ZINC000433212990 467309322 /nfs/dbraw/zinc/30/93/22/467309322.db2.gz NFWZVAYGMQUFTA-CQSZACIVSA-N 1 0 326.418 2.164 20 5 EEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000420204124 467320522 /nfs/dbraw/zinc/32/05/22/467320522.db2.gz OLWZQINEMIUTRB-ZDUSSCGKSA-N 1 0 330.388 2.836 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429380079 467331994 /nfs/dbraw/zinc/33/19/94/467331994.db2.gz STHQKDAFYCGWHE-HOTGVXAUSA-N 1 0 336.388 2.493 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000420286928 467339156 /nfs/dbraw/zinc/33/91/56/467339156.db2.gz HBLDEVNZPDCQHI-HZMBPMFUSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357955 467376562 /nfs/dbraw/zinc/37/65/62/467376562.db2.gz DYUKXELXBRZJKL-HFBDOXOYSA-N 1 0 340.811 2.163 20 5 EEBDRO COc1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000429919502 467381662 /nfs/dbraw/zinc/38/16/62/467381662.db2.gz RECITAQPYKLPJM-LBPRGKRZSA-N 1 0 335.404 2.245 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420744253 467470015 /nfs/dbraw/zinc/47/00/15/467470015.db2.gz KXBPMQSUXKEPJW-UHFFFAOYSA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420830532 467493655 /nfs/dbraw/zinc/49/36/55/467493655.db2.gz ZYOBCKJIVQYDBQ-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000431556691 467524531 /nfs/dbraw/zinc/52/45/31/467524531.db2.gz KRSYVJNWTVXHLU-ZDUSSCGKSA-N 1 0 336.392 2.217 20 5 EEBDRO CNc1nc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000454999842 467628796 /nfs/dbraw/zinc/62/87/96/467628796.db2.gz JWZYCKXFQPUMOW-UHFFFAOYSA-N 1 0 347.419 2.122 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449384970 467634648 /nfs/dbraw/zinc/63/46/48/467634648.db2.gz DARLMRLYHIZSKM-OTMARIDSSA-N 1 0 333.432 2.435 20 5 EEBDRO COC[C@]1(C(=O)OC)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449460817 467648792 /nfs/dbraw/zinc/64/87/92/467648792.db2.gz ZWEKZXMIWDTQKT-WVRJYTFGSA-N 1 0 334.372 2.120 20 5 EEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449585545 467666504 /nfs/dbraw/zinc/66/65/04/467666504.db2.gz GHCQTECUSPRZSS-SFYZADRCSA-N 1 0 335.282 2.001 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000457957048 467739973 /nfs/dbraw/zinc/73/99/73/467739973.db2.gz PIZPIVLEPIHABS-GOSISDBHSA-N 1 0 346.431 2.265 20 5 EEBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)Cc1ccccc1 ZINC000450245165 467808303 /nfs/dbraw/zinc/80/83/03/467808303.db2.gz XDQMCUSNGGFHHU-MRXNPFEDSA-N 1 0 343.431 3.058 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c2ncccc12 ZINC000450596230 467876330 /nfs/dbraw/zinc/87/63/30/467876330.db2.gz NJBYEZUYGUGGHE-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)[N@H+]1CCO ZINC000450786115 467907358 /nfs/dbraw/zinc/90/73/58/467907358.db2.gz CTUXCOOZQFRLID-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450792512 467909054 /nfs/dbraw/zinc/90/90/54/467909054.db2.gz NVHHDQLVTKQUBQ-AOOOYVTPSA-N 1 0 346.309 2.284 20 5 EEBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000567689369 468185407 /nfs/dbraw/zinc/18/54/07/468185407.db2.gz IYHYPMKFTNTOJT-MRXNPFEDSA-N 1 0 330.384 2.475 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533453999 468200386 /nfs/dbraw/zinc/20/03/86/468200386.db2.gz FTMRQPUFRLJMPI-IUODEOHRSA-N 1 0 332.404 2.022 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000490295060 468204800 /nfs/dbraw/zinc/20/48/00/468204800.db2.gz ZFBUJDNVINDESN-OAHLLOKOSA-N 1 0 335.404 2.406 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000496445418 468252287 /nfs/dbraw/zinc/25/22/87/468252287.db2.gz ZLMLRVVUHOEHKQ-GFCCVEGCSA-N 1 0 334.376 2.353 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594195347 468508858 /nfs/dbraw/zinc/50/88/58/468508858.db2.gz FZRZICZNPDJQCF-DOTOQJQBSA-N 1 0 347.415 2.415 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594201137 468510631 /nfs/dbraw/zinc/51/06/31/468510631.db2.gz NZCLNSHXLJUQEW-HOTGVXAUSA-N 1 0 333.388 2.107 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594201015 468510838 /nfs/dbraw/zinc/51/08/38/468510838.db2.gz MOTKSTSFMQSKMI-HOCLYGCPSA-N 1 0 333.388 2.350 20 5 EEBDRO CSc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000591758300 468515887 /nfs/dbraw/zinc/51/58/87/468515887.db2.gz VUPSFSMBLFKBFD-CQSZACIVSA-N 1 0 349.412 2.241 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570271324 468613483 /nfs/dbraw/zinc/61/34/83/468613483.db2.gz VFEFYTDWQKHFRG-QWHCGFSZSA-N 1 0 334.420 2.262 20 5 EEBDRO Cc1cnc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594576943 468624951 /nfs/dbraw/zinc/62/49/51/468624951.db2.gz HMQAKOUNYDWHJE-OAHLLOKOSA-N 1 0 345.399 2.179 20 5 EEBDRO Cc1cnc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000594577576 468625938 /nfs/dbraw/zinc/62/59/38/468625938.db2.gz SBOWYZDYQYRHII-MRXNPFEDSA-N 1 0 345.399 2.179 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(C[NH+](C)C)C1 ZINC000597709545 468647365 /nfs/dbraw/zinc/64/73/65/468647365.db2.gz XLVQXRRVWBLBOO-JTQLQIEISA-N 1 0 341.795 2.036 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000597716648 468648850 /nfs/dbraw/zinc/64/88/50/468648850.db2.gz RCXMAZOWBAWHNA-GOSISDBHSA-N 1 0 331.416 2.472 20 5 EEBDRO CC[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331664 468679004 /nfs/dbraw/zinc/67/90/04/468679004.db2.gz MHOLSSWZDJMIND-FZMZJTMJSA-N 1 0 332.404 2.369 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597854333 468694333 /nfs/dbraw/zinc/69/43/33/468694333.db2.gz GKDJQKYFKDEPSS-SNVBAGLBSA-N 1 0 338.383 2.166 20 5 EEBDRO NC(=O)c1c[nH+]ccc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000558919890 468720364 /nfs/dbraw/zinc/72/03/64/468720364.db2.gz AAILRSKLCBNHOS-UHFFFAOYSA-N 1 0 340.261 2.142 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992026 468732752 /nfs/dbraw/zinc/73/27/52/468732752.db2.gz IPQLBRCQOANHSB-GHMZBOCLSA-N 1 0 343.811 2.472 20 5 EEBDRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cn3C)C2)cc1 ZINC000601246405 468796480 /nfs/dbraw/zinc/79/64/80/468796480.db2.gz SGPMFIRVTYYGTA-OAHLLOKOSA-N 1 0 342.399 2.246 20 5 EEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000595270933 468797807 /nfs/dbraw/zinc/79/78/07/468797807.db2.gz XSUQKGOTEVCKSF-IAGOWNOFSA-N 1 0 325.368 2.470 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343021 468837961 /nfs/dbraw/zinc/83/79/61/468837961.db2.gz PGVMGFFZVXHJAB-OAHLLOKOSA-N 1 0 334.420 2.387 20 5 EEBDRO COc1cc(C)ccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584405613 468863673 /nfs/dbraw/zinc/86/36/73/468863673.db2.gz QVUALIUTMMBGRO-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO COC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598632049 468939957 /nfs/dbraw/zinc/93/99/57/468939957.db2.gz ZBFYJLQNDUVFRJ-STQMWFEESA-N 1 0 334.376 2.205 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595706953 468963541 /nfs/dbraw/zinc/96/35/41/468963541.db2.gz ZOWFLAHAXGMLBM-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610477014 468978097 /nfs/dbraw/zinc/97/80/97/468978097.db2.gz HBDBIJZSIZJVEH-KRWDZBQOSA-N 1 0 349.431 2.290 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000598913503 469047203 /nfs/dbraw/zinc/04/72/03/469047203.db2.gz JRNQAVUSBSHNFN-LLVKDONJSA-N 1 0 327.344 2.450 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000602775901 469066206 /nfs/dbraw/zinc/06/62/06/469066206.db2.gz CUIXQBPMQYPGCV-KRWDZBQOSA-N 1 0 344.415 2.472 20 5 EEBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000587210558 469085912 /nfs/dbraw/zinc/08/59/12/469085912.db2.gz PNDWMJOJRHQXRZ-VXGBXAGGSA-N 1 0 345.403 2.776 20 5 EEBDRO O=C(c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596087081 469149117 /nfs/dbraw/zinc/14/91/17/469149117.db2.gz DHIRYSCHCZFOFY-AWEZNQCLSA-N 1 0 344.415 2.479 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000611155851 469176167 /nfs/dbraw/zinc/17/61/67/469176167.db2.gz GYBBHYPMDBLTDC-GFCCVEGCSA-N 1 0 330.388 2.171 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596172553 469185588 /nfs/dbraw/zinc/18/55/88/469185588.db2.gz LGIFCFZVDAKHLU-GFCCVEGCSA-N 1 0 332.198 2.082 20 5 EEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](C2CCC2)CC1 ZINC000611196098 469188819 /nfs/dbraw/zinc/18/88/19/469188819.db2.gz LAGHIJROQTZBBO-UHFFFAOYSA-N 1 0 328.372 2.386 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000611203349 469191477 /nfs/dbraw/zinc/19/14/77/469191477.db2.gz IIBKWPFBQAMSOU-CQSZACIVSA-N 1 0 336.436 2.430 20 5 EEBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000596203998 469200434 /nfs/dbraw/zinc/20/04/34/469200434.db2.gz LDAXLDOIMBTGDZ-UHFFFAOYSA-N 1 0 342.399 2.410 20 5 EEBDRO CC[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602983887 469206368 /nfs/dbraw/zinc/20/63/68/469206368.db2.gz WNPYMXZOCOTMJR-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199674 469212473 /nfs/dbraw/zinc/21/24/73/469212473.db2.gz DNYQYJSVWAXXIJ-KRWDZBQOSA-N 1 0 336.388 2.493 20 5 EEBDRO CCn1cnnc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611336016 469230146 /nfs/dbraw/zinc/23/01/46/469230146.db2.gz OPYIRYAKISHOBS-HNNXBMFYSA-N 1 0 329.404 2.360 20 5 EEBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC000611444949 469251367 /nfs/dbraw/zinc/25/13/67/469251367.db2.gz OMKDDEWJHPPJLM-ZDUSSCGKSA-N 1 0 329.404 2.109 20 5 EEBDRO Cc1nn(C)c(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596467593 469276779 /nfs/dbraw/zinc/27/67/79/469276779.db2.gz UAFMKPOXFACUFN-INIZCTEOSA-N 1 0 343.431 2.390 20 5 EEBDRO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602432965 469313654 /nfs/dbraw/zinc/31/36/54/469313654.db2.gz IVZBEAIYKJXBTD-WPRPVWTQSA-N 1 0 342.193 2.167 20 5 EEBDRO [NH3+]C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC000602526749 469350074 /nfs/dbraw/zinc/35/00/74/469350074.db2.gz MBGKKWZTMWRNHO-UHFFFAOYSA-N 1 0 342.193 2.359 20 5 EEBDRO CN(CCC[NH+](C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599741855 469355695 /nfs/dbraw/zinc/35/56/95/469355695.db2.gz DYVAGBHMJQOWGO-UHFFFAOYSA-N 1 0 344.209 2.381 20 5 EEBDRO C[C@H]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000602553512 469358897 /nfs/dbraw/zinc/35/88/97/469358897.db2.gz KRRVPYOWTBCBKH-GXTWGEPZSA-N 1 0 332.404 2.065 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602563578 469362797 /nfs/dbraw/zinc/36/27/97/469362797.db2.gz MUJDZKQGPPHHAB-CABCVRRESA-N 1 0 334.420 2.362 20 5 EEBDRO Cc1cccc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC000602585449 469373072 /nfs/dbraw/zinc/37/30/72/469373072.db2.gz RVIREQZOUXYFKS-UHFFFAOYSA-N 1 0 325.368 2.479 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603424405 469391367 /nfs/dbraw/zinc/39/13/67/469391367.db2.gz UTOQQMPIKTURSU-INIZCTEOSA-N 1 0 348.447 2.112 20 5 EEBDRO COc1cc(OCC(=O)Nc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000612346523 469443999 /nfs/dbraw/zinc/44/39/99/469443999.db2.gz JOTUULPBBDPYTF-UHFFFAOYSA-N 1 0 346.343 2.082 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCN(c4cc[nH+]cc4)CC3)c21 ZINC000612439278 469465938 /nfs/dbraw/zinc/46/59/38/469465938.db2.gz CREMRYJDZOOUKL-UHFFFAOYSA-N 1 0 336.355 2.260 20 5 EEBDRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612461798 469473349 /nfs/dbraw/zinc/47/33/49/469473349.db2.gz FCPGDMUDQXYNHU-GXFFZTMASA-N 1 0 335.360 2.290 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612461799 469473814 /nfs/dbraw/zinc/47/38/14/469473814.db2.gz FCPGDMUDQXYNHU-MFKMUULPSA-N 1 0 335.360 2.290 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608866940 469884083 /nfs/dbraw/zinc/88/40/83/469884083.db2.gz MJKCKBLYOCAUIO-UHFFFAOYSA-N 1 0 327.344 2.344 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609386238 469924808 /nfs/dbraw/zinc/92/48/08/469924808.db2.gz NNOUOVIRYMTWCO-CQSZACIVSA-N 1 0 334.420 2.020 20 5 EEBDRO COc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000609616204 469949303 /nfs/dbraw/zinc/94/93/03/469949303.db2.gz LMIHUEGCSRPTJS-INIZCTEOSA-N 1 0 335.404 2.340 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793794 469961605 /nfs/dbraw/zinc/96/16/05/469961605.db2.gz QNKQHSUZROPCHT-NSHDSACASA-N 1 0 325.796 2.201 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610297289 470000932 /nfs/dbraw/zinc/00/09/32/470000932.db2.gz YVRWWNJDAVABLW-OAHLLOKOSA-N 1 0 342.399 2.280 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190166147 534306956 /nfs/dbraw/zinc/30/69/56/534306956.db2.gz SDTPJQXDFDGNIE-CQSZACIVSA-N 1 0 336.392 2.309 20 5 EEBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](C)C1 ZINC000135785003 517891010 /nfs/dbraw/zinc/89/10/10/517891010.db2.gz VCQBGWUEXPMTNY-AWEZNQCLSA-N 1 0 330.388 2.171 20 5 EEBDRO [NH3+]CCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414909253 534626672 /nfs/dbraw/zinc/62/66/72/534626672.db2.gz GKVZWSBAEBDUIM-UHFFFAOYSA-N 1 0 339.779 2.261 20 5 EEBDRO CCc1nn(C)cc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578662 535829220 /nfs/dbraw/zinc/82/92/20/535829220.db2.gz GIYQSQWXHLORFX-GJZGRUSLSA-N 1 0 332.408 2.361 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772032 536809536 /nfs/dbraw/zinc/80/95/36/536809536.db2.gz RUCJHARQCLVMER-BYCMXARLSA-N 1 0 333.388 2.469 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000728909406 576559052 /nfs/dbraw/zinc/55/90/52/576559052.db2.gz UQFCWIQIHFUUGN-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000729521150 576662948 /nfs/dbraw/zinc/66/29/48/576662948.db2.gz BPJGNGUBUZGGEQ-QWHCGFSZSA-N 1 0 334.420 2.478 20 5 EEBDRO COCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677951 577116046 /nfs/dbraw/zinc/11/60/46/577116046.db2.gz CSMJPAMPEOVPJD-GOSISDBHSA-N 1 0 346.383 2.443 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccco1 ZINC000764772882 577488226 /nfs/dbraw/zinc/48/82/26/577488226.db2.gz LTWBGHHCDZSUIN-SMDDNHRTSA-N 1 0 333.344 2.228 20 5 EEBDRO C[C@@H]1CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766382614 577518261 /nfs/dbraw/zinc/51/82/61/577518261.db2.gz MTKSLZWTXHAZLV-OAHLLOKOSA-N 1 0 332.448 2.495 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939855 577587473 /nfs/dbraw/zinc/58/74/73/577587473.db2.gz AYWUSOIEBINAAH-NVXWUHKLSA-N 1 0 344.415 2.316 20 5 EEBDRO Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028584 577589245 /nfs/dbraw/zinc/58/92/45/577589245.db2.gz GOUOSTQFJKPMLP-GOEBONIOSA-N 1 0 330.388 2.241 20 5 EEBDRO COC(=O)C[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770682049 577601655 /nfs/dbraw/zinc/60/16/55/577601655.db2.gz YPQLEOFMCDOHLT-DANOYGIBSA-N 1 0 334.372 2.310 20 5 EEBDRO C[S@](=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159353 577801451 /nfs/dbraw/zinc/80/14/51/577801451.db2.gz MFGGIESSBBRGFM-OJLQRUNKSA-N 1 0 348.424 2.338 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000754503355 577807277 /nfs/dbraw/zinc/80/72/77/577807277.db2.gz SMCMDOYCTSAZRV-CYBMUJFWSA-N 1 0 341.795 2.008 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1COC(C)(C)OC1 ZINC000757698404 577862701 /nfs/dbraw/zinc/86/27/01/577862701.db2.gz QRBKNBNSAPIQMW-NSHDSACASA-N 1 0 337.376 2.053 20 5 EEBDRO CC(=O)c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272218 577958580 /nfs/dbraw/zinc/95/85/80/577958580.db2.gz LOJDSVMOFPDCIW-MRXNPFEDSA-N 1 0 347.415 2.489 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)n2)c1 ZINC000749799327 577982099 /nfs/dbraw/zinc/98/20/99/577982099.db2.gz LYGRWHNXXRHHRO-GJZGRUSLSA-N 1 0 343.387 2.169 20 5 EEBDRO CC(C)CNC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750031753 577985916 /nfs/dbraw/zinc/98/59/16/577985916.db2.gz BETDESZPRHPGGX-KRWDZBQOSA-N 1 0 349.431 2.112 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736399115 578201011 /nfs/dbraw/zinc/20/10/11/578201011.db2.gz DNBLDDRMCATAHY-ZDUSSCGKSA-N 1 0 345.407 2.451 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568859 578212001 /nfs/dbraw/zinc/21/20/01/578212001.db2.gz DCIWFDSKGAJLBS-YPMHNXCESA-N 1 0 345.407 2.084 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1nccs1 ZINC001020802829 675503358 /nfs/dbraw/zinc/50/33/58/675503358.db2.gz KXSUUSHAFRPFKM-MGCOHNPYSA-N 1 0 338.414 2.163 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cn1 ZINC001021992724 676572916 /nfs/dbraw/zinc/57/29/16/676572916.db2.gz PIECEKNQZBEEKQ-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000892204461 678247115 /nfs/dbraw/zinc/24/71/15/678247115.db2.gz YYJCQFRVGXZGID-GFCCVEGCSA-N 1 0 346.387 2.107 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)on1 ZINC000983124271 681859419 /nfs/dbraw/zinc/85/94/19/681859419.db2.gz PZYFZPUKJGAUNV-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000894547530 682967340 /nfs/dbraw/zinc/96/73/40/682967340.db2.gz AUXYXCKZCIYKFO-HNNXBMFYSA-N 1 0 329.404 2.082 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000103457931 683255111 /nfs/dbraw/zinc/25/51/11/683255111.db2.gz WTDDZPQATXDTAV-UHFFFAOYSA-N 1 0 341.415 2.443 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3COCO3)o2)c([N+](=O)[O-])c1 ZINC000894872372 683263231 /nfs/dbraw/zinc/26/32/31/683263231.db2.gz IMUVHXZYWJFBQV-ZDUSSCGKSA-N 1 0 334.328 2.326 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893020259 683570846 /nfs/dbraw/zinc/57/08/46/683570846.db2.gz OYYNJHVQGJJAEC-CHWSQXEVSA-N 1 0 332.404 2.234 20 5 EEBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000893172101 684025696 /nfs/dbraw/zinc/02/56/96/684025696.db2.gz CVROWSFNESLDPM-OAHLLOKOSA-N 1 0 329.404 2.429 20 5 EEBDRO C[NH+]1CCC2(CCN2C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000893266621 684404443 /nfs/dbraw/zinc/40/44/43/684404443.db2.gz SABNKBBNKLTHCO-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCOCC2)c1C ZINC000896356048 684953284 /nfs/dbraw/zinc/95/32/84/684953284.db2.gz YWHLSGGRQMIWHA-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)COc1cc([N+](=O)[O-])ccc1Br ZINC000312775440 684999269 /nfs/dbraw/zinc/99/92/69/684999269.db2.gz OUSKFJGLZOUDPK-NSHDSACASA-N 1 0 347.209 2.437 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896542063 685038423 /nfs/dbraw/zinc/03/84/23/685038423.db2.gz BEOJDQVNHDQZKU-CXAGYDPISA-N 1 0 348.447 2.082 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896594231 685114498 /nfs/dbraw/zinc/11/44/98/685114498.db2.gz GAVNZWLAWACION-NSHDSACASA-N 1 0 345.346 2.041 20 5 EEBDRO CSCC(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985246468 686135343 /nfs/dbraw/zinc/13/53/43/686135343.db2.gz QRBZFKCSRIDJDN-UHFFFAOYSA-N 1 0 343.474 2.442 20 5 EEBDRO Cc1cc(C)cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000985431592 686705780 /nfs/dbraw/zinc/70/57/80/686705780.db2.gz REMXUQOYXKFGGQ-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO O=C(c1cncs1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990075912 692637943 /nfs/dbraw/zinc/63/79/43/692637943.db2.gz PGFMFCPMJVICID-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c[nH]1 ZINC000990277496 692804332 /nfs/dbraw/zinc/80/43/32/692804332.db2.gz OUNSNPGDBSEHRX-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CCc1c[nH]cn1 ZINC001112192462 1186660500 /nfs/dbraw/zinc/66/05/00/1186660500.db2.gz BNBALWDWIGJXNI-UHFFFAOYSA-N 1 0 345.403 2.235 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001034645751 1196466801 /nfs/dbraw/zinc/46/68/01/1196466801.db2.gz UQQXEVWMEFZJDS-KCYZZUKISA-N 1 0 349.406 2.316 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000825574176 1198038897 /nfs/dbraw/zinc/03/88/97/1198038897.db2.gz MTBFRMCSNRPQBK-UHFFFAOYSA-N 1 0 335.404 2.231 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)cn1 ZINC000876890646 1199806559 /nfs/dbraw/zinc/80/65/59/1199806559.db2.gz FTXZFTKEOIPXHY-KRWDZBQOSA-N 1 0 342.399 2.282 20 5 EEBDRO CC[C@@]1(O)CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000879310142 1200988576 /nfs/dbraw/zinc/98/85/76/1200988576.db2.gz DUSMZESJITYVES-OAHLLOKOSA-N 1 0 341.795 2.424 20 5 EEBDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866254595 1201476977 /nfs/dbraw/zinc/47/69/77/1201476977.db2.gz STUWYVQAYMCDSW-RISCZKNCSA-N 1 0 339.367 2.485 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC[C@H]1CCOC1 ZINC000866262332 1201478960 /nfs/dbraw/zinc/47/89/60/1201478960.db2.gz SWKQPHBLTJQOPP-OLZOCXBDSA-N 1 0 326.368 2.308 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCO[C@H]1CCOC1 ZINC000866281622 1201482647 /nfs/dbraw/zinc/48/26/47/1201482647.db2.gz BDEUKPUBFKEUBP-WFASDCNBSA-N 1 0 326.368 2.450 20 5 EEBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866280769 1201482887 /nfs/dbraw/zinc/48/28/87/1201482887.db2.gz ZUVLGFFJTTUZPQ-ZOWXZIJZSA-N 1 0 326.368 2.449 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295694 1201486325 /nfs/dbraw/zinc/48/63/25/1201486325.db2.gz APTUDYUKWFNJKB-GHMZBOCLSA-N 1 0 332.397 2.078 20 5 EEBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866324340 1201492395 /nfs/dbraw/zinc/49/23/95/1201492395.db2.gz RKTHJWWLCKBNAR-LLVKDONJSA-N 1 0 325.384 2.417 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868280709 1201782277 /nfs/dbraw/zinc/78/22/77/1201782277.db2.gz HENTXMXCDLVGSM-GXTWGEPZSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868335690 1201793803 /nfs/dbraw/zinc/79/38/03/1201793803.db2.gz NOUNYDUDLDGKKH-IUODEOHRSA-N 1 0 335.379 2.362 20 5 EEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000886600119 1202530677 /nfs/dbraw/zinc/53/06/77/1202530677.db2.gz NHHBICZDBQPHII-HNNXBMFYSA-N 1 0 337.395 2.465 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931726120 1207450262 /nfs/dbraw/zinc/45/02/62/1207450262.db2.gz IZTWPJALYSRKHU-LSDHHAIUSA-N 1 0 333.388 2.130 20 5 EEBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495339 1207616479 /nfs/dbraw/zinc/61/64/79/1207616479.db2.gz ZZLDLACEENTGEN-RVBZMBCESA-N 1 0 327.768 2.200 20 5 EEBDRO CCC(=O)NCC[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001111309637 1210106109 /nfs/dbraw/zinc/10/61/09/1210106109.db2.gz VKQIJGXIWVLUTA-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795701393 1214983683 /nfs/dbraw/zinc/98/36/83/1214983683.db2.gz COUJYWDVRWXNBH-CJNGLKHVSA-N 1 0 329.404 2.461 20 5 EEBDRO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957547324 1215199950 /nfs/dbraw/zinc/19/99/50/1215199950.db2.gz AYOPYGMVPOEWKE-HZPDHXFCSA-N 1 0 335.448 2.322 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1F ZINC001020041802 1229454226 /nfs/dbraw/zinc/45/42/26/1229454226.db2.gz XZEJQHBFCRAYAF-JOCQHMNTSA-N 1 0 344.346 2.180 20 5 EEBDRO CC1(NC(=O)c2ccn[nH]2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045370912 1233700211 /nfs/dbraw/zinc/70/02/11/1233700211.db2.gz VYKIMKACIPSOEA-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900912963 1234995001 /nfs/dbraw/zinc/99/50/01/1234995001.db2.gz PYRXNGABRUYZOM-VIFPVBQESA-N 1 0 329.759 2.459 20 5 EEBDRO NC(=O)C1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000801522877 1235778701 /nfs/dbraw/zinc/77/87/01/1235778701.db2.gz CXSSVFRWWXCJHK-UHFFFAOYSA-N 1 0 342.193 2.245 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801965576 1236551485 /nfs/dbraw/zinc/55/14/85/1236551485.db2.gz PWDVOHKKLGSOFS-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000802142392 1236991178 /nfs/dbraw/zinc/99/11/78/1236991178.db2.gz VXESYXGBIQHBCN-KQQSKNTNSA-N 1 0 334.372 2.260 20 5 EEBDRO CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525596 1237863340 /nfs/dbraw/zinc/86/33/40/1237863340.db2.gz ZKXALXYRYLASNG-YIDVYQOGSA-N 1 0 337.464 2.447 20 5 EEBDRO Cc1cc(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001055927262 1238490138 /nfs/dbraw/zinc/49/01/38/1238490138.db2.gz FRJKORPLJXPTIL-UHFFFAOYSA-N 1 0 346.431 2.036 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](F)C1 ZINC000902997102 1239294477 /nfs/dbraw/zinc/29/44/77/1239294477.db2.gz QCOGKPQRSAZBME-NSHDSACASA-N 1 0 325.340 2.366 20 5 EEBDRO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cs1 ZINC001050516969 1243769104 /nfs/dbraw/zinc/76/91/04/1243769104.db2.gz LHFMZTGLJRTPEA-HUUCEWRRSA-N 1 0 349.456 2.146 20 5 EEBDRO CCCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001101152098 1245454855 /nfs/dbraw/zinc/45/48/55/1245454855.db2.gz NYMPXFXIPCCKSC-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO C[NH+]1CCC(C(=O)NCCN(c2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001101359190 1245712381 /nfs/dbraw/zinc/71/23/81/1245712381.db2.gz LKYYVOZSPBFKLE-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1cc(NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001068493878 1251162456 /nfs/dbraw/zinc/16/24/56/1251162456.db2.gz DIVABWSKBFYLAJ-KOMQPUFPSA-N 1 0 346.431 2.306 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1SCCS1)OCCO2 ZINC000850401443 1277216005 /nfs/dbraw/zinc/21/60/05/1277216005.db2.gz BKIDCWLDFQZFGE-UHFFFAOYSA-N 1 0 328.415 2.262 20 5 EEBDRO CCOCCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199697639 1285797308 /nfs/dbraw/zinc/79/73/08/1285797308.db2.gz CWYHEICJIMPLBX-UHFFFAOYSA-N 1 0 341.433 2.164 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001110609953 1290975473 /nfs/dbraw/zinc/97/54/73/1290975473.db2.gz GIABPROXXRIOFD-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000851956619 1291931455 /nfs/dbraw/zinc/93/14/55/1291931455.db2.gz XDTZOMBEOCXIIP-JTQLQIEISA-N 1 0 340.380 2.238 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000856072449 1293397175 /nfs/dbraw/zinc/39/71/75/1293397175.db2.gz AIOAQGMDTJTLTJ-GFCCVEGCSA-N 1 0 327.331 2.287 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000859967967 1294729837 /nfs/dbraw/zinc/72/98/37/1294729837.db2.gz QPLTXPGTGDGOQS-JBLDHEPKSA-N 1 0 341.795 2.278 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861607527 1295474744 /nfs/dbraw/zinc/47/47/44/1295474744.db2.gz BMNISSGJBMTFFS-CQSZACIVSA-N 1 0 340.811 2.388 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001222761320 1299835850 /nfs/dbraw/zinc/83/58/50/1299835850.db2.gz MXWUQJXJAAFTOA-XJNFMUPTSA-N 1 0 334.372 2.278 20 5 EEBDRO COC(=O)Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001226215970 1301303671 /nfs/dbraw/zinc/30/36/71/1301303671.db2.gz FWKAXCKZQZVYIE-ZSBFGKGUSA-N 1 0 348.399 2.419 20 5 EEBDRO CC(C)OCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226414154 1301399992 /nfs/dbraw/zinc/39/99/92/1301399992.db2.gz AJXZCNXUMFKXBX-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO COC(=O)c1cc(O[C@H]2CCC[N@H+](C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226440827 1301413346 /nfs/dbraw/zinc/41/33/46/1301413346.db2.gz GGWVBGBJKLEDTH-NSHDSACASA-N 1 0 338.360 2.253 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(O)c1I ZINC001227383103 1301808505 /nfs/dbraw/zinc/80/85/05/1301808505.db2.gz ZBQXBVRDHQZWGG-SECBINFHSA-O 1 0 336.193 2.470 20 5 EEBDRO CC[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448053 1301832536 /nfs/dbraw/zinc/83/25/36/1301832536.db2.gz AARKPDYRNIBFCO-AWEZNQCLSA-N 1 0 326.352 2.004 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227515388 1301860919 /nfs/dbraw/zinc/86/09/19/1301860919.db2.gz ITMMJJFXFFISGW-SNVBAGLBSA-N 1 0 348.384 2.387 20 5 EEBDRO COC(=O)c1nc(O[C@H](C)C[N+](C)(C)C)c(Br)cc1C ZINC001234487829 1304940576 /nfs/dbraw/zinc/94/05/76/1304940576.db2.gz WAAPYGLPFRBDCG-SNVBAGLBSA-N 1 0 346.245 2.413 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001117682120 1306143174 /nfs/dbraw/zinc/14/31/74/1306143174.db2.gz ATOZEPGTNZQSTI-QGZVFWFLSA-N 1 0 336.388 2.206 20 5 EEBDRO C[C@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001120590022 1309629400 /nfs/dbraw/zinc/62/94/00/1309629400.db2.gz JXNVDXPLAFJNMZ-IRXDYDNUSA-N 1 0 334.347 2.265 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]([NH3+])C[C@H](F)C2)c1F ZINC001246576159 1310347525 /nfs/dbraw/zinc/34/75/25/1310347525.db2.gz FHTBVYXPSGFMKL-GARJFASQSA-N 1 0 329.347 2.045 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC001123358748 1310537904 /nfs/dbraw/zinc/53/79/04/1310537904.db2.gz AXJJYEQYCVALPZ-KGLIPLIRSA-N 1 0 338.433 2.413 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)nc12 ZINC001248136629 1310843890 /nfs/dbraw/zinc/84/38/90/1310843890.db2.gz AXPRVRSTURVTFW-CQSZACIVSA-N 1 0 347.378 2.364 20 5 EEBDRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2)CC1 ZINC000839568988 1315216142 /nfs/dbraw/zinc/21/61/42/1315216142.db2.gz PUCYTOGAFJLKQA-ZACQAIPSSA-N 1 0 331.416 2.241 20 5 EEBDRO C[NH+](C)CCNC(=S)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840803486 1315413782 /nfs/dbraw/zinc/41/37/82/1315413782.db2.gz QMNMKBVTRHVWNZ-CQSZACIVSA-N 1 0 336.461 2.210 20 5 EEBDRO CC(C)(C)[C@@H](CN)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475369 1315712298 /nfs/dbraw/zinc/71/22/98/1315712298.db2.gz OKCXICDQSIXZFZ-CYBMUJFWSA-N 1 0 326.372 2.026 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc4nsnc4c([N+](=O)[O-])c3)n2)CCCC1 ZINC000842593190 1315727490 /nfs/dbraw/zinc/72/74/90/1315727490.db2.gz VHCLINDFQAMTRA-UHFFFAOYSA-N 1 0 332.345 2.378 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842920419 1315799046 /nfs/dbraw/zinc/79/90/46/1315799046.db2.gz RMJNJJPULIJQRM-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843079418 1315836495 /nfs/dbraw/zinc/83/64/95/1315836495.db2.gz ZXEQAXKGDTUTBK-AEFFLSMTSA-N 1 0 330.384 2.130 20 5 EEBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843349350 1315896513 /nfs/dbraw/zinc/89/65/13/1315896513.db2.gz VYYYAJQSERIPMZ-MNOVXSKESA-N 1 0 340.811 2.117 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843459586 1315919004 /nfs/dbraw/zinc/91/90/04/1315919004.db2.gz GHSMMFFCTMMCDA-OAHLLOKOSA-N 1 0 341.770 2.142 20 5 EEBDRO CCc1nc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001152297800 1316655358 /nfs/dbraw/zinc/65/53/58/1316655358.db2.gz UNSXLQZCQCSCJH-UHFFFAOYSA-N 1 0 348.428 2.062 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001155599109 1317668017 /nfs/dbraw/zinc/66/80/17/1317668017.db2.gz RYLRLPHBBSGHAW-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001155705598 1317710379 /nfs/dbraw/zinc/71/03/79/1317710379.db2.gz IGDMXJTVYZESIX-INIZCTEOSA-N 1 0 342.399 2.500 20 5 EEBDRO CC(C)[C@@](C)([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254465603 1318080986 /nfs/dbraw/zinc/08/09/86/1318080986.db2.gz GBUIRSKQWRQZCC-QGZVFWFLSA-N 1 0 334.420 2.053 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254482985 1318085071 /nfs/dbraw/zinc/08/50/71/1318085071.db2.gz NYCIIZHZSYXZSQ-GOSISDBHSA-N 1 0 347.415 2.449 20 5 EEBDRO COCCOc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001254549005 1318118723 /nfs/dbraw/zinc/11/87/23/1318118723.db2.gz PFJSELZPFUDVNX-ZDUSSCGKSA-N 1 0 346.387 2.131 20 5 EEBDRO COc1ccc([C@H](O)C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577246 1318128140 /nfs/dbraw/zinc/12/81/40/1318128140.db2.gz DTASIGMRMLRTTE-MAUKXSAKSA-N 1 0 328.368 2.394 20 5 EEBDRO CCN(C(C)=O)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605395 1318142188 /nfs/dbraw/zinc/14/21/88/1318142188.db2.gz BRMZHULBUCLMAZ-SFHVURJKSA-N 1 0 331.416 2.395 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001156724900 1318182382 /nfs/dbraw/zinc/18/23/82/1318182382.db2.gz LFEMTXZOONFQHN-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO CCc1cc(N2CC[C@@](F)(C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157816690 1318881535 /nfs/dbraw/zinc/88/15/35/1318881535.db2.gz LXECBWHGBGBKTF-QGZVFWFLSA-N 1 0 345.378 2.491 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NCc3ncn4c3C[NH2+]CCC4)nc21 ZINC001158359436 1319199800 /nfs/dbraw/zinc/19/98/00/1319199800.db2.gz ODTIFYFWUPOVNT-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO CCOC(=O)C1(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC[NH+](C)CC1 ZINC001158568304 1319311168 /nfs/dbraw/zinc/31/11/68/1319311168.db2.gz APYLZMUQBGEJHQ-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC001158568661 1319312368 /nfs/dbraw/zinc/31/23/68/1319312368.db2.gz PMFNEYLKIUPNPV-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO Cc1ccncc1CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001160217022 1320102754 /nfs/dbraw/zinc/10/27/54/1320102754.db2.gz SXBRBYQVPOZNGV-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO COc1cnc(-n2cc(C[NH3+])c3c2cccc3OC)c([N+](=O)[O-])c1 ZINC001160763619 1320260951 /nfs/dbraw/zinc/26/09/51/1320260951.db2.gz JAKBEYIQRAXSTJ-UHFFFAOYSA-N 1 0 328.328 2.410 20 5 EEBDRO COc1cc(C)c(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1C ZINC001160776667 1320264712 /nfs/dbraw/zinc/26/47/12/1320264712.db2.gz YFYAKJJCAGNQCZ-UHFFFAOYSA-N 1 0 343.387 2.309 20 5 EEBDRO Cc1ccnc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161364190 1320475530 /nfs/dbraw/zinc/47/55/30/1320475530.db2.gz MCKVUWLUUCXMQL-JOCQHMNTSA-N 1 0 328.376 2.496 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(NCC[C@H]2C[NH2+]Cc3cccn3C2)n1 ZINC001163049989 1321023646 /nfs/dbraw/zinc/02/36/46/1321023646.db2.gz NQVUUUUYGDREMG-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163110691 1321038479 /nfs/dbraw/zinc/03/84/79/1321038479.db2.gz DGSRPLWCHLMXAF-PBFPGSCMSA-N 1 0 335.404 2.337 20 5 EEBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163255293 1321077703 /nfs/dbraw/zinc/07/77/03/1321077703.db2.gz XQWDHXSFDWFJHQ-SJLPKXTDSA-N 1 0 338.367 2.252 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CO[C@@]3(C1)CCC[NH2+]C3)CCCC2 ZINC001163275879 1321085224 /nfs/dbraw/zinc/08/52/24/1321085224.db2.gz BCGPQSHPBMTOKQ-FZKQIMNGSA-N 1 0 346.431 2.439 20 5 EEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163321249 1321096967 /nfs/dbraw/zinc/09/69/67/1321096967.db2.gz CADQKRKINYONBZ-SJCJKPOMSA-N 1 0 349.387 2.095 20 5 EEBDRO Nc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001164440040 1321378904 /nfs/dbraw/zinc/37/89/04/1321378904.db2.gz ZKHHAIMUYLCTPK-UHFFFAOYSA-N 1 0 327.388 2.069 20 5 EEBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001165107609 1321455472 /nfs/dbraw/zinc/45/54/72/1321455472.db2.gz JNFKBPVSFPCIQY-OAHLLOKOSA-N 1 0 334.420 2.378 20 5 EEBDRO CC(C)N(c1cc([N+](=O)[O-])ccn1)c1ncnc2c1CC[NH2+]CC2 ZINC001165512419 1321537725 /nfs/dbraw/zinc/53/77/25/1321537725.db2.gz JMWVICUZWIUPLN-UHFFFAOYSA-N 1 0 328.376 2.015 20 5 EEBDRO CCc1c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1C ZINC001166661765 1321760019 /nfs/dbraw/zinc/76/00/19/1321760019.db2.gz HXMUOLZZROPNBN-UHFFFAOYSA-N 1 0 344.415 2.405 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492502 1322114393 /nfs/dbraw/zinc/11/43/93/1322114393.db2.gz HUXOYQQDXBRWQN-UHFFFAOYSA-N 1 0 346.431 2.307 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001261550985 1322130439 /nfs/dbraw/zinc/13/04/39/1322130439.db2.gz SUZKYQSCNONKQM-HZPDHXFCSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C[C@@H]1O ZINC001204858082 1322239579 /nfs/dbraw/zinc/23/95/79/1322239579.db2.gz NHHIQMWWGAEKJJ-LIRRHRJNSA-N 1 0 347.378 2.055 20 5 EEBDRO CC[N@H+](C)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001308176619 1331569613 /nfs/dbraw/zinc/56/96/13/1331569613.db2.gz MJLMJIDPUSHGFN-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001321145650 1333030819 /nfs/dbraw/zinc/03/08/19/1333030819.db2.gz XIWAGCDWCFMAJR-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO CC[NH+](CC)CCSCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609223552 1351901039 /nfs/dbraw/zinc/90/10/39/1351901039.db2.gz YAVVDQXQOLQUTA-UHFFFAOYSA-N 1 0 336.421 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC001338462774 1336864091 /nfs/dbraw/zinc/86/40/91/1336864091.db2.gz SIHZAFBJARVZRD-KRWDZBQOSA-N 1 0 342.399 2.413 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C2CC2)CCOCC1 ZINC001340931678 1337267526 /nfs/dbraw/zinc/26/75/26/1337267526.db2.gz GMTAITFKWXPRNZ-UHFFFAOYSA-N 1 0 333.388 2.391 20 5 EEBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC001341776981 1337298227 /nfs/dbraw/zinc/29/82/27/1337298227.db2.gz DPMRJFDKTMHQRQ-HOTGVXAUSA-N 1 0 329.400 2.300 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000848583945 1338725507 /nfs/dbraw/zinc/72/55/07/1338725507.db2.gz JOQBTRFYWSINBH-QWRGUYRKSA-N 1 0 343.330 2.165 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001576749157 1344055204 /nfs/dbraw/zinc/05/52/04/1344055204.db2.gz QCWCWAIZVGXMSI-ZETOZRRWSA-N 1 0 331.376 2.121 20 5 EEBDRO C[NH2+]CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001578716494 1344296690 /nfs/dbraw/zinc/29/66/90/1344296690.db2.gz TYWUZJFKUNYPCY-UHFFFAOYSA-N 1 0 345.355 2.454 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734125 1344410899 /nfs/dbraw/zinc/41/08/99/1344410899.db2.gz OOKWHSWGZVKGFC-RDTXWAMCSA-N 1 0 346.431 2.293 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001579877624 1344424675 /nfs/dbraw/zinc/42/46/75/1344424675.db2.gz VXLSALFKPDXMIM-GFCCVEGCSA-N 1 0 326.356 2.076 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnc([C@@H]2CCC[NH2+]2)n1 ZINC001580493594 1344526120 /nfs/dbraw/zinc/52/61/20/1344526120.db2.gz IOTASPGRVIQPJT-PODYEWJSSA-N 1 0 339.355 2.461 20 5 EEBDRO O=[N+]([O-])c1c(NCc2ccc3c[nH+]cn3c2)cccc1-c1nn[nH]n1 ZINC001593469433 1349804800 /nfs/dbraw/zinc/80/48/00/1349804800.db2.gz QIOYHIMJLUZRIC-UHFFFAOYSA-N 1 0 336.315 2.035 20 5 EEBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001603078382 1350634390 /nfs/dbraw/zinc/63/43/90/1350634390.db2.gz WJDASGJRULIVDK-UHFFFAOYSA-N 1 0 345.407 2.450 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850433627 1367142753 /nfs/dbraw/zinc/14/27/53/1367142753.db2.gz OXNMDFVLIIVVIM-QEJZJMRPSA-N 1 0 335.404 2.117 20 5 EEBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001170780205 1367854842 /nfs/dbraw/zinc/85/48/42/1367854842.db2.gz SPDDJLJWBQKAAG-FZMZJTMJSA-N 1 0 328.803 2.429 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000782425650 1371290984 /nfs/dbraw/zinc/29/09/84/1371290984.db2.gz NRJLBRMWSFOIPG-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112352879 1371408960 /nfs/dbraw/zinc/40/89/60/1371408960.db2.gz HNZGAOLBVXGBGJ-UHFFFAOYSA-N 1 0 349.435 2.123 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836713250 1372744090 /nfs/dbraw/zinc/74/40/90/1372744090.db2.gz OIJKTHWIEJYZIX-UHFFFAOYSA-N 1 0 343.811 2.255 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000840090764 1372921848 /nfs/dbraw/zinc/92/18/48/1372921848.db2.gz GNEFUWXXYMAOCV-MRXNPFEDSA-N 1 0 329.404 2.442 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000847884672 1373040456 /nfs/dbraw/zinc/04/04/56/1373040456.db2.gz CKZNRANALNKZDU-UHFFFAOYSA-N 1 0 336.388 2.100 20 5 EEBDRO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cocn1 ZINC001755277825 1407287632 /nfs/dbraw/zinc/28/76/32/1407287632.db2.gz SISSYRABSHYQTF-UHFFFAOYSA-N 1 0 346.387 2.471 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000165841152 1405717251 /nfs/dbraw/zinc/71/72/51/1405717251.db2.gz FNGBSKVBUUSLFA-SECBINFHSA-N 1 0 329.198 2.249 20 5 EEBDRO COC(=O)/C=C/c1ccc(N[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000864565151 1410470594 /nfs/dbraw/zinc/47/05/94/1410470594.db2.gz FISLNKGDNFCBSV-DRDHIDPGSA-N 1 0 331.372 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1 ZINC000840252763 782458156 /nfs/dbraw/zinc/45/81/56/782458156.db2.gz YHRBTIUKHHCXKM-GJZGRUSLSA-N 1 0 328.372 2.418 20 5 EEBDRO CCCC[NH+](CCCC)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001167732059 765321043 /nfs/dbraw/zinc/32/10/43/765321043.db2.gz KSKBZPGWNHWTGQ-UHFFFAOYSA-N 1 0 337.424 2.403 20 5 EEBDRO CC(C)(C)n1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001128579065 783186096 /nfs/dbraw/zinc/18/60/96/783186096.db2.gz KPDBPOYUZAQWKN-UHFFFAOYSA-N 1 0 345.403 2.066 20 5 EEBDRO NC(=[NH2+])c1nccn1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001168411733 790542136 /nfs/dbraw/zinc/54/21/36/790542136.db2.gz YJBVYBMZKLBXMK-UHFFFAOYSA-N 1 0 338.327 2.039 20 5 EEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000893938147 780320398 /nfs/dbraw/zinc/32/03/98/780320398.db2.gz BSBWYUOBKAWLJJ-ZANVPECISA-N 1 0 326.194 2.498 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)n1 ZINC001167983574 781362842 /nfs/dbraw/zinc/36/28/42/781362842.db2.gz GXXHFUUFPXROPV-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2cccnc2c2ncccc12 ZINC001170872698 784832487 /nfs/dbraw/zinc/83/24/87/784832487.db2.gz UWMIVQHTTKNCHT-GDBMZVCRSA-N 1 0 336.395 2.346 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000817677603 784914668 /nfs/dbraw/zinc/91/46/68/784914668.db2.gz ZSFSBWPUYSSJQK-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO CCc1cccc(NC(=O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818990177 785355289 /nfs/dbraw/zinc/35/52/89/785355289.db2.gz YZECHKTWSNCTHV-KRWDZBQOSA-N 1 0 343.383 2.419 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000819150992 785423408 /nfs/dbraw/zinc/42/34/08/785423408.db2.gz XMMDNUUJQPTXGF-BBRMVZONSA-N 1 0 346.362 2.031 20 5 EEBDRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819190874 785455900 /nfs/dbraw/zinc/45/59/00/785455900.db2.gz LMOLEUDGVGIDTB-ROUUACIJSA-N 1 0 327.384 2.405 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000819265104 785497307 /nfs/dbraw/zinc/49/73/07/785497307.db2.gz BHFFULSDTMLIPX-CRAIPNDOSA-N 1 0 328.368 2.481 20 5 EEBDRO CNc1nccc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908571532 785535441 /nfs/dbraw/zinc/53/54/41/785535441.db2.gz WRNRUDQFEUWVMI-UHFFFAOYSA-N 1 0 347.419 2.122 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001107239139 786591686 /nfs/dbraw/zinc/59/16/86/786591686.db2.gz FTMYRZNJDIXMDZ-ARJAWSKDSA-N 1 0 346.431 2.329 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107280692 786701261 /nfs/dbraw/zinc/70/12/61/786701261.db2.gz RRDHGQJJLWXSER-WAYWQWQTSA-N 1 0 334.420 2.329 20 5 EEBDRO C[C@H](O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129317259 786888858 /nfs/dbraw/zinc/88/88/58/786888858.db2.gz ABSKDRDAYZWDPF-NWDGAFQWSA-N 1 0 339.367 2.155 20 5 EEBDRO COc1cc(Cc2noc([C@H](C)[C@@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145351 787565841 /nfs/dbraw/zinc/56/58/41/787565841.db2.gz GJUROFQFXIJCPP-RKDXNWHRSA-N 1 0 336.348 2.037 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671716 787864259 /nfs/dbraw/zinc/86/42/59/787864259.db2.gz UGYWQVFMJGOQRL-DLBZAZTESA-N 1 0 343.383 2.047 20 5 EEBDRO C[NH+](C)C1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000823871245 787970029 /nfs/dbraw/zinc/97/00/29/787970029.db2.gz FBGHBKIEIUUWFJ-MRXNPFEDSA-N 1 0 349.431 2.399 20 5 EEBDRO CNc1nccc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912808459 788367634 /nfs/dbraw/zinc/36/76/34/788367634.db2.gz ZAWHTMKPMLMYOS-GXTWGEPZSA-N 1 0 349.435 2.224 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536322 789737582 /nfs/dbraw/zinc/73/75/82/789737582.db2.gz KEOKQUKBIJZHAF-QGZVFWFLSA-N 1 0 332.404 2.060 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168601573 791227654 /nfs/dbraw/zinc/22/76/54/791227654.db2.gz OXBABKASLQAITQ-STQMWFEESA-N 1 0 336.392 2.370 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncccc1Cl ZINC001148498124 792491900 /nfs/dbraw/zinc/49/19/00/792491900.db2.gz YXVQRYFDJFVBHX-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO CC(C)(CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1)[N+](=O)[O-] ZINC000913686200 794103494 /nfs/dbraw/zinc/10/34/94/794103494.db2.gz FZRSUTUQYYFYSA-HOTGVXAUSA-N 1 0 331.416 2.307 20 5 EEBDRO Cc1ccc(NCCNC(=O)c2ccn3c[nH+]cc3c2)c([N+](=O)[O-])c1 ZINC001094253317 796041178 /nfs/dbraw/zinc/04/11/78/796041178.db2.gz KRTLSQMAYUTOOJ-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO O=C(CC[NH+]1CCCCC1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094455421 796264627 /nfs/dbraw/zinc/26/46/27/796264627.db2.gz QYPFGFBZMJQSDT-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001106803529 796635400 /nfs/dbraw/zinc/63/54/00/796635400.db2.gz CZQZHGAMYOEJRN-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cnccn2)c1F ZINC001173189670 797281923 /nfs/dbraw/zinc/28/19/23/797281923.db2.gz PLPLBKYWJAWTPN-NSHDSACASA-N 1 0 334.351 2.296 20 5 EEBDRO CCNC(=O)CO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235736 797313540 /nfs/dbraw/zinc/31/35/40/797313540.db2.gz YXEMZRXAWBQZQX-YOEHRIQHSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001173211505 797315120 /nfs/dbraw/zinc/31/51/20/797315120.db2.gz SJPTXEJBYUXKPI-GUYCJALGSA-N 1 0 327.384 2.212 20 5 EEBDRO Cc1cc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H]2CC[NH2+]C2)ncn1 ZINC001173237046 797322065 /nfs/dbraw/zinc/32/20/65/797322065.db2.gz HBNKUZPNAVDGPJ-PBHICJAKSA-N 1 0 341.415 2.493 20 5 EEBDRO C[NH+](C)CCCC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095246222 797557694 /nfs/dbraw/zinc/55/76/94/797557694.db2.gz IHPXRTYSULPKKJ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1=COCCC1 ZINC001002427435 798044108 /nfs/dbraw/zinc/04/41/08/798044108.db2.gz LDOPMSCISBXBCO-UHFFFAOYSA-N 1 0 345.399 2.370 20 5 EEBDRO O=C(NC1CC[NH+](CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787420 798609388 /nfs/dbraw/zinc/60/93/88/798609388.db2.gz KKCMNYULVVYABM-HZPDHXFCSA-N 1 0 335.448 2.203 20 5 EEBDRO COCCC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177691800 799084374 /nfs/dbraw/zinc/08/43/74/799084374.db2.gz PGGABWFLARHLGH-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458709 799484244 /nfs/dbraw/zinc/48/42/44/799484244.db2.gz UCUNNZHZKNWAMS-GDBMZVCRSA-N 1 0 337.395 2.257 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1scnc1Cl ZINC001151213419 801183573 /nfs/dbraw/zinc/18/35/73/801183573.db2.gz LCCNMJSYQPTMDM-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO Cc1nc[nH]c1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004281431 801603083 /nfs/dbraw/zinc/60/30/83/801603083.db2.gz KKIWPHFIPQCWFK-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922677839 801659483 /nfs/dbraw/zinc/65/94/83/801659483.db2.gz WXJXIVXMAFZOSE-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO Cc1ocnc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086038296 801991924 /nfs/dbraw/zinc/99/19/24/801991924.db2.gz SFSPTZGKHKQDQZ-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1nc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001086348352 802797684 /nfs/dbraw/zinc/79/76/84/802797684.db2.gz ADHNEZVJDGIFHP-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CCOc1cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ccc1[N+](=O)[O-] ZINC001168887756 803502452 /nfs/dbraw/zinc/50/24/52/803502452.db2.gz LODILNMOKASREZ-UHFFFAOYSA-N 1 0 340.343 2.095 20 5 EEBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168981214 803545108 /nfs/dbraw/zinc/54/51/08/803545108.db2.gz GUADPNAPTDWSSK-UONOGXRCSA-N 1 0 326.418 2.015 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)C1 ZINC001168967906 803553452 /nfs/dbraw/zinc/55/34/52/803553452.db2.gz UMKJLCWSPGIYRB-ZWKOTPCHSA-N 1 0 333.432 2.054 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006574 803567827 /nfs/dbraw/zinc/56/78/27/803567827.db2.gz IKXBXKAPSVPENY-UONOGXRCSA-N 1 0 330.388 2.395 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169011073 803570716 /nfs/dbraw/zinc/57/07/16/803570716.db2.gz IBSACRGAGJDCHJ-LXTVHRRPSA-N 1 0 339.436 2.373 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011542 803571557 /nfs/dbraw/zinc/57/15/57/803571557.db2.gz KTZWKGBDSJLFPI-MJBXVCDLSA-N 1 0 327.425 2.373 20 5 EEBDRO O=C1CC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168989877 803573605 /nfs/dbraw/zinc/57/36/05/803573605.db2.gz XMTLWRLNCZPOIG-RCCFBDPRSA-N 1 0 345.443 2.460 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)C1 ZINC001168990874 803574322 /nfs/dbraw/zinc/57/43/22/803574322.db2.gz FFXRXJKEZLKRQJ-CVEARBPZSA-N 1 0 333.432 2.456 20 5 EEBDRO Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037517 803581358 /nfs/dbraw/zinc/58/13/58/803581358.db2.gz SAPHRUFDMBSOFN-NVXWUHKLSA-N 1 0 331.416 2.198 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCCN3c3ncccn3)CC2)C1 ZINC001169018477 803586859 /nfs/dbraw/zinc/58/68/59/803586859.db2.gz COACGJPRYNTUDW-HOTGVXAUSA-N 1 0 345.447 2.357 20 5 EEBDRO COc1ccc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169052460 803595933 /nfs/dbraw/zinc/59/59/33/803595933.db2.gz GBTXOJUJXFYPNI-ZIAGYGMSSA-N 1 0 335.404 2.379 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)s1 ZINC001212585613 803641508 /nfs/dbraw/zinc/64/15/08/803641508.db2.gz TXMDZRFLADXSBM-UHFFFAOYSA-N 1 0 329.341 2.414 20 5 EEBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccccc1[N+](=O)[O-] ZINC000792551822 809795952 /nfs/dbraw/zinc/79/59/52/809795952.db2.gz FUCMRMOPVFZKPX-UHFFFAOYSA-N 1 0 340.295 2.038 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170315963 809887506 /nfs/dbraw/zinc/88/75/06/809887506.db2.gz ZSEAWAQNMHVRQU-GFCCVEGCSA-N 1 0 329.356 2.402 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC001170344411 809916133 /nfs/dbraw/zinc/91/61/33/809916133.db2.gz BUZABINFALJLBQ-HIFRSBDPSA-N 1 0 345.403 2.463 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000794258612 810734272 /nfs/dbraw/zinc/73/42/72/810734272.db2.gz UEXSUCJDLQPIBP-JTQLQIEISA-N 1 0 326.372 2.166 20 5 EEBDRO CCc1cccnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130629095 811867898 /nfs/dbraw/zinc/86/78/98/811867898.db2.gz XTCOUCJKVFGRIE-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000160496380 282259740 /nfs/dbraw/zinc/25/97/40/282259740.db2.gz OBIPXGDXISHHMN-UWVGGRQHSA-N 1 0 327.331 2.476 20 5 EEBDRO COCC1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[NH2+]CC1 ZINC000414666504 238714371 /nfs/dbraw/zinc/71/43/71/238714371.db2.gz WUUBTILTEZRFGB-UHFFFAOYSA-N 1 0 336.392 2.041 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262121341 201201870 /nfs/dbraw/zinc/20/18/70/201201870.db2.gz CBWWCKIBZLMCRV-AEFFLSMTSA-N 1 0 339.395 2.338 20 5 EEBDRO C[NH+](C)C1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000420632022 239871829 /nfs/dbraw/zinc/87/18/29/239871829.db2.gz WDGWIVRWBRFBJL-UHFFFAOYSA-N 1 0 341.433 2.283 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000193564472 240215422 /nfs/dbraw/zinc/21/54/22/240215422.db2.gz KRDFJAYTUIKTPJ-CJNGLKHVSA-N 1 0 346.431 2.455 20 5 EEBDRO CN1C(=O)NCC12CC[NH+](CC=Cc1ccccc1[N+](=O)[O-])CC2 ZINC000425369139 241140824 /nfs/dbraw/zinc/14/08/24/241140824.db2.gz GJLXVGSMNOABOG-GQCTYLIASA-N 1 0 330.388 2.098 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000449719383 242614193 /nfs/dbraw/zinc/61/41/93/242614193.db2.gz HHOJIRGGZFQVJY-VIFPVBQESA-N 1 0 325.674 2.258 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000246403296 243243109 /nfs/dbraw/zinc/24/31/09/243243109.db2.gz XZMCELJAGZYRJG-XJKSGUPXSA-N 1 0 335.404 2.467 20 5 EEBDRO CCNC(=O)C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459602358 245184736 /nfs/dbraw/zinc/18/47/36/245184736.db2.gz ZGYDFKUAXRXWFZ-UHFFFAOYSA-N 1 0 346.387 2.297 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774764 245245888 /nfs/dbraw/zinc/24/58/88/245245888.db2.gz UGMZUNHPOMHPLI-TUKIKUTGSA-N 1 0 333.388 2.469 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+](C)C)cc1SC ZINC000103063834 204060725 /nfs/dbraw/zinc/06/07/25/204060725.db2.gz SHAMLNJACXJDKT-UHFFFAOYSA-N 1 0 341.433 2.395 20 5 EEBDRO CCC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000127912753 205123466 /nfs/dbraw/zinc/12/34/66/205123466.db2.gz WKMKAAJANNACRX-QGZVFWFLSA-N 1 0 349.431 2.097 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155447069 206007098 /nfs/dbraw/zinc/00/70/98/206007098.db2.gz KRAQDTUWZQTWCQ-KBPBESRZSA-N 1 0 333.388 2.160 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264184818 246152079 /nfs/dbraw/zinc/15/20/79/246152079.db2.gz CNUGXPOBIJEDDQ-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000157066113 206114505 /nfs/dbraw/zinc/11/45/05/206114505.db2.gz HBOPLMMANKZYHT-ZIAGYGMSSA-N 1 0 333.388 2.160 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266552972 248357364 /nfs/dbraw/zinc/35/73/64/248357364.db2.gz LTQVOACMBILHIF-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171211405 206673842 /nfs/dbraw/zinc/67/38/42/206673842.db2.gz OVNGQDOTXRUKBM-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174561343 207031131 /nfs/dbraw/zinc/03/11/31/207031131.db2.gz KYJDGXCPVITZNJ-HNNXBMFYSA-N 1 0 346.431 2.341 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177042772 207287477 /nfs/dbraw/zinc/28/74/77/207287477.db2.gz INTQHNFRXAIWOM-OLZOCXBDSA-N 1 0 332.404 2.138 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177577267 207358743 /nfs/dbraw/zinc/35/87/43/207358743.db2.gz VBUSVZPJBMAZOT-STQMWFEESA-N 1 0 334.420 2.263 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)nc1 ZINC000459385204 285136167 /nfs/dbraw/zinc/13/61/67/285136167.db2.gz WOEPGILLHYFNTD-LBPRGKRZSA-N 1 0 336.783 2.026 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCn3ccnc3C2)n1 ZINC000447596273 285169182 /nfs/dbraw/zinc/16/91/82/285169182.db2.gz CCRXLPJMFIRIQL-MGPQQGTHSA-N 1 0 330.392 2.076 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1([NH+](C)C)CCC1 ZINC000186971033 255944647 /nfs/dbraw/zinc/94/46/47/255944647.db2.gz IEPLJFFQFNWZGP-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1C1CC1 ZINC000267991562 256103487 /nfs/dbraw/zinc/10/34/87/256103487.db2.gz QDSILANTCNOITP-MNOVXSKESA-N 1 0 328.372 2.431 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270334193 256124458 /nfs/dbraw/zinc/12/44/58/256124458.db2.gz IVYLMOHQBKDQDE-CVEARBPZSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270528723 256144830 /nfs/dbraw/zinc/14/48/30/256144830.db2.gz NWYWAZZGXUDLRZ-HNNXBMFYSA-N 1 0 334.420 2.121 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270547003 256147099 /nfs/dbraw/zinc/14/70/99/256147099.db2.gz YVPQKMNZQZPADL-OVPGCVMQSA-N 1 0 335.429 2.112 20 5 EEBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270899557 256185421 /nfs/dbraw/zinc/18/54/21/256185421.db2.gz OGELFLSZWIOGEC-UHFFFAOYSA-N 1 0 335.404 2.408 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271148316 256212809 /nfs/dbraw/zinc/21/28/09/256212809.db2.gz PWTABKNCCXSIDQ-NSHDSACASA-N 1 0 330.406 2.079 20 5 EEBDRO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000272837926 256242882 /nfs/dbraw/zinc/24/28/82/256242882.db2.gz NYGCFLOEAOPFGI-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076494 256263185 /nfs/dbraw/zinc/26/31/85/256263185.db2.gz POYUXDPMOQZGHV-IAGOWNOFSA-N 1 0 349.387 2.089 20 5 EEBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000273519537 256303127 /nfs/dbraw/zinc/30/31/27/256303127.db2.gz RUTKHCQJCRMDQS-OAHLLOKOSA-N 1 0 329.404 2.429 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970143 256342409 /nfs/dbraw/zinc/34/24/09/256342409.db2.gz HIQFIFOHLREZCJ-UTUOFQBUSA-N 1 0 337.376 2.099 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000274072383 256351530 /nfs/dbraw/zinc/35/15/30/256351530.db2.gz RLHDHOVDLYEJBQ-GHMZBOCLSA-N 1 0 338.360 2.139 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000342900546 291993210 /nfs/dbraw/zinc/99/32/10/291993210.db2.gz JEBAEEPHUXBPHM-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000349023697 144821978 /nfs/dbraw/zinc/82/19/78/144821978.db2.gz CHJGVTKENMSPGV-LLVKDONJSA-N 1 0 342.355 2.067 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000076925501 292187191 /nfs/dbraw/zinc/18/71/91/292187191.db2.gz CSANHCYAWRRZNK-QGZVFWFLSA-N 1 0 346.431 2.265 20 5 EEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000424075166 286199842 /nfs/dbraw/zinc/19/98/42/286199842.db2.gz OZWIRGRQAUMQEY-WDMOLILDSA-N 1 0 335.404 2.357 20 5 EEBDRO COc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000195411579 286441256 /nfs/dbraw/zinc/44/12/56/286441256.db2.gz PUTJEAODDBKPAS-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081333391 159150227 /nfs/dbraw/zinc/15/02/27/159150227.db2.gz HMMFKVBRVAJZIW-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000089935882 159188974 /nfs/dbraw/zinc/18/89/74/159188974.db2.gz QJTOWTWVNBDUOP-LBPRGKRZSA-N 1 0 337.401 2.330 20 5 EEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118828526 159368102 /nfs/dbraw/zinc/36/81/02/159368102.db2.gz WGYXGYSWNHOCJB-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000185807062 160049024 /nfs/dbraw/zinc/04/90/24/160049024.db2.gz GIEXGZLMAOCRAD-CQSZACIVSA-N 1 0 343.449 2.240 20 5 EEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000194523191 160195500 /nfs/dbraw/zinc/19/55/00/160195500.db2.gz AGDVTYQLBCZIHX-UHFFFAOYSA-N 1 0 349.435 2.021 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248176743 160339822 /nfs/dbraw/zinc/33/98/22/160339822.db2.gz VSERYMNLWVUBTM-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO C[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000342652003 161080906 /nfs/dbraw/zinc/08/09/06/161080906.db2.gz JSQSUFZJJDMLDK-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO COC[C@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342699451 161083952 /nfs/dbraw/zinc/08/39/52/161083952.db2.gz IQTTVUJYVHOFNE-GJZGRUSLSA-N 1 0 338.404 2.083 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000343557442 161146478 /nfs/dbraw/zinc/14/64/78/161146478.db2.gz CCQKBYDNCCVUEQ-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000343644202 161154085 /nfs/dbraw/zinc/15/40/85/161154085.db2.gz RKFOLEIMJWDUCY-GFCCVEGCSA-N 1 0 331.376 2.075 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000344077649 161196682 /nfs/dbraw/zinc/19/66/82/161196682.db2.gz WRBROGFTYDNZIG-DJIMGWMZSA-N 1 0 347.415 2.340 20 5 EEBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000344425191 161226295 /nfs/dbraw/zinc/22/62/95/161226295.db2.gz VIFWDFHUWALKAW-OKILXGFUSA-N 1 0 334.420 2.315 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1C ZINC000345166012 161278084 /nfs/dbraw/zinc/27/80/84/161278084.db2.gz VKTMQEWNSPIPAD-CHWSQXEVSA-N 1 0 346.431 2.406 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000345434038 161301510 /nfs/dbraw/zinc/30/15/10/161301510.db2.gz GOPGJCCZPATNMU-UHFFFAOYSA-N 1 0 344.415 2.492 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345518797 161308170 /nfs/dbraw/zinc/30/81/70/161308170.db2.gz KKSVGXPQPJIMNU-ZIAGYGMSSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345957857 161345467 /nfs/dbraw/zinc/34/54/67/161345467.db2.gz VXALENRHRQUGIR-DZGCQCFKSA-N 1 0 334.420 2.261 20 5 EEBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000355439991 163189753 /nfs/dbraw/zinc/18/97/53/163189753.db2.gz QDQOWAZGNCNDOA-UHFFFAOYSA-N 1 0 330.388 2.161 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000356859038 163562999 /nfs/dbraw/zinc/56/29/99/163562999.db2.gz MTEUGMOPMZAYPR-ZDUSSCGKSA-N 1 0 330.388 2.300 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368048836 166041629 /nfs/dbraw/zinc/04/16/29/166041629.db2.gz YOTKJCLJXVOHRD-OAHLLOKOSA-N 1 0 332.404 2.045 20 5 EEBDRO CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000360849448 164390202 /nfs/dbraw/zinc/39/02/02/164390202.db2.gz MBMRIWRKWMTIFC-MRXNPFEDSA-N 1 0 343.431 2.425 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccccc3F)CC2)n1 ZINC000365856467 165612437 /nfs/dbraw/zinc/61/24/37/165612437.db2.gz IUDDINRXOGCSQO-HNNXBMFYSA-N 1 0 334.351 2.301 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000369088251 166185607 /nfs/dbraw/zinc/18/56/07/166185607.db2.gz SDVLXKWZAFOVNT-CQSZACIVSA-N 1 0 328.372 2.349 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000369174715 166204531 /nfs/dbraw/zinc/20/45/31/166204531.db2.gz QOKFXHYUYQGVAC-UHFFFAOYSA-N 1 0 347.415 2.369 20 5 EEBDRO Cn1cc(C[C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370007008 166375232 /nfs/dbraw/zinc/37/52/32/166375232.db2.gz DXXDSHXMROWGFR-AWEZNQCLSA-N 1 0 330.388 2.272 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000123426730 222274933 /nfs/dbraw/zinc/27/49/33/222274933.db2.gz PAVZGPXNQUZCRM-UHFFFAOYSA-N 1 0 348.403 2.034 20 5 EEBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)[C@H]1OC ZINC000248854130 292642789 /nfs/dbraw/zinc/64/27/89/292642789.db2.gz VJEIVHASTCTOQL-DAXOMENPSA-N 1 0 337.420 2.186 20 5 EEBDRO COc1cc(C[NH2+][C@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381328 268964364 /nfs/dbraw/zinc/96/43/64/268964364.db2.gz HQRZLIBRQKQOIM-SNVBAGLBSA-N 1 0 348.346 2.498 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637991 269002567 /nfs/dbraw/zinc/00/25/67/269002567.db2.gz XYSSKIDHYFXKJF-ZENOOKHLSA-N 1 0 332.404 2.391 20 5 EEBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272648544 269003974 /nfs/dbraw/zinc/00/39/74/269003974.db2.gz AFWZPXJMNRKZEC-ZDUSSCGKSA-N 1 0 332.404 2.163 20 5 EEBDRO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1=CC[N@H+](C)CC1 ZINC000272740307 269015652 /nfs/dbraw/zinc/01/56/52/269015652.db2.gz CSPVSVQYKCONFH-LLVKDONJSA-N 1 0 328.372 2.456 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000274901147 269071919 /nfs/dbraw/zinc/07/19/19/269071919.db2.gz PQAWYHQDVWZYHB-SECBINFHSA-N 1 0 344.318 2.269 20 5 EEBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275390704 274245022 /nfs/dbraw/zinc/24/50/22/274245022.db2.gz ARMPKFFYWSXKOK-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1C1CC1 ZINC000268037396 274391350 /nfs/dbraw/zinc/39/13/50/274391350.db2.gz WYOYJUWGLZOYAC-ZYHUDNBSSA-N 1 0 328.372 2.431 20 5 EEBDRO CCOC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000286358511 274863788 /nfs/dbraw/zinc/86/37/88/274863788.db2.gz YCYSSENRTQCTAI-OAHLLOKOSA-N 1 0 335.404 2.135 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286764900 274904003 /nfs/dbraw/zinc/90/40/03/274904003.db2.gz GETQQVFUIQGTFT-ZBFHGGJFSA-N 1 0 346.431 2.482 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290300897 275196247 /nfs/dbraw/zinc/19/62/47/275196247.db2.gz NOVNDNFPYKGDKL-HNNXBMFYSA-N 1 0 326.418 2.385 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292089363 275374528 /nfs/dbraw/zinc/37/45/28/275374528.db2.gz FGCCPDCGOKIZGJ-MRXNPFEDSA-N 1 0 335.429 2.485 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359629765 276044009 /nfs/dbraw/zinc/04/40/09/276044009.db2.gz DBWWDHWPMCZUDX-HNNXBMFYSA-N 1 0 335.404 2.483 20 5 EEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000376173244 277053787 /nfs/dbraw/zinc/05/37/87/277053787.db2.gz NLCKVFMBRNTVDY-CQSZACIVSA-N 1 0 338.839 2.464 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCC1 ZINC000459391640 277054530 /nfs/dbraw/zinc/05/45/30/277054530.db2.gz ROHRGRDOYKYAME-UHFFFAOYSA-N 1 0 326.324 2.318 20 5 EEBDRO CO[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000423523906 277339467 /nfs/dbraw/zinc/33/94/67/277339467.db2.gz WJMNXCZBBHOKHC-KBPBESRZSA-N 1 0 335.404 2.297 20 5 EEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427930596 278169099 /nfs/dbraw/zinc/16/90/99/278169099.db2.gz JOWCLVTZOYMBPA-SECBINFHSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269193220 288026594 /nfs/dbraw/zinc/02/65/94/288026594.db2.gz HUGSLNBMNGZNBS-LDYMZIIASA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000191928627 281262048 /nfs/dbraw/zinc/26/20/48/281262048.db2.gz KUQKEYFQFLXDRD-UHFFFAOYSA-N 1 0 349.412 2.053 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282603980 292840047 /nfs/dbraw/zinc/84/00/47/292840047.db2.gz HRKPUKWEUMSKQV-UHFFFAOYSA-N 1 0 348.424 2.342 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293070035 293117455 /nfs/dbraw/zinc/11/74/55/293117455.db2.gz VIRDIGBFQLNQBB-CJNGLKHVSA-N 1 0 345.403 2.385 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234340 293157935 /nfs/dbraw/zinc/15/79/35/293157935.db2.gz SJBYXHMKVKBOAC-PBHICJAKSA-N 1 0 338.404 2.081 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000293708721 293275433 /nfs/dbraw/zinc/27/54/33/293275433.db2.gz RAOGIOLMPHNIBR-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000293995619 293345635 /nfs/dbraw/zinc/34/56/35/293345635.db2.gz LXPXTVORLSDTLO-CYBMUJFWSA-N 1 0 335.429 2.106 20 5 EEBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294079469 293365750 /nfs/dbraw/zinc/36/57/50/293365750.db2.gz LFMTYISNZJBNGE-QPUJVOFHSA-N 1 0 331.294 2.228 20 5 EEBDRO Cc1ccncc1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296126798 293898757 /nfs/dbraw/zinc/89/87/57/293898757.db2.gz VUWOQOIFIXRYTQ-UHFFFAOYSA-N 1 0 341.415 2.448 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296844169 294081676 /nfs/dbraw/zinc/08/16/76/294081676.db2.gz FQIAKQIIRVPDHM-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000297422361 294240188 /nfs/dbraw/zinc/24/01/88/294240188.db2.gz RVFAQRPJTPTQOK-IUODEOHRSA-N 1 0 332.404 2.147 20 5 EEBDRO C[C@@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000298819199 294594152 /nfs/dbraw/zinc/59/41/52/294594152.db2.gz FXWDWPZJCGDXRD-IAGOWNOFSA-N 1 0 333.388 2.471 20 5 EEBDRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000194770170 303417673 /nfs/dbraw/zinc/41/76/73/303417673.db2.gz KWKCDIGBQSFYER-NSHDSACASA-N 1 0 347.824 2.044 20 5 EEBDRO O=C(NCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000447580211 303768756 /nfs/dbraw/zinc/76/87/56/303768756.db2.gz NOQNEPWTTURRIM-CABCVRRESA-N 1 0 349.435 2.171 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000332558602 312025389 /nfs/dbraw/zinc/02/53/89/312025389.db2.gz OXJRQCBGTMGGRI-CABCVRRESA-N 1 0 347.415 2.367 20 5 EEBDRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414659067 313058784 /nfs/dbraw/zinc/05/87/84/313058784.db2.gz MPYRWKFEZPOCFF-ZDUSSCGKSA-N 1 0 348.403 2.122 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421365484 314093395 /nfs/dbraw/zinc/09/33/95/314093395.db2.gz URDASCAUODLBCT-JOCQHMNTSA-N 1 0 335.404 2.375 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000421766818 314159500 /nfs/dbraw/zinc/15/95/00/314159500.db2.gz HTESGPJNIBKHBM-UHFFFAOYSA-N 1 0 349.431 2.394 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425066679 314328570 /nfs/dbraw/zinc/32/85/70/314328570.db2.gz PFZKMODAJRLSSK-XJKSGUPXSA-N 1 0 331.416 2.425 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000430567488 314547798 /nfs/dbraw/zinc/54/77/98/314547798.db2.gz AYSQIWPMPFCEOW-CYBMUJFWSA-N 1 0 346.431 2.386 20 5 EEBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430592313 314555435 /nfs/dbraw/zinc/55/54/35/314555435.db2.gz MKTFQFPERDUMOD-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000440415055 315129812 /nfs/dbraw/zinc/12/98/12/315129812.db2.gz KRZKUJCFPOBIHP-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO CCc1cc(NCC[NH+]2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443891237 315263422 /nfs/dbraw/zinc/26/34/22/315263422.db2.gz DTTIQSBXNQQSKX-UHFFFAOYSA-N 1 0 327.388 2.154 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000523286058 316984871 /nfs/dbraw/zinc/98/48/71/316984871.db2.gz YAELFJMWGDFUEU-AWEZNQCLSA-N 1 0 332.404 2.337 20 5 EEBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225704 318052911 /nfs/dbraw/zinc/05/29/11/318052911.db2.gz JHKFQAKGBHGGII-UKRRQHHQSA-N 1 0 348.403 2.290 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000541348543 318097425 /nfs/dbraw/zinc/09/74/25/318097425.db2.gz BYMSDKYCMXSHDT-XQQFMLRXSA-N 1 0 326.418 2.160 20 5 EEBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417287 318187350 /nfs/dbraw/zinc/18/73/50/318187350.db2.gz SCBSHYVVKBQTJU-BXUZGUMPSA-N 1 0 339.392 2.191 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000552285046 318505900 /nfs/dbraw/zinc/50/59/00/318505900.db2.gz AKNIEYJQNKJHAR-GFCCVEGCSA-N 1 0 337.767 2.004 20 5 EEBDRO COC(C)(C)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558437386 318709843 /nfs/dbraw/zinc/70/98/43/318709843.db2.gz VDSNDZDYISCZKZ-GFCCVEGCSA-N 1 0 344.433 2.162 20 5 EEBDRO CN(CC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000566004663 319234228 /nfs/dbraw/zinc/23/42/28/319234228.db2.gz RZYRIWIANKLSSR-UHFFFAOYSA-N 1 0 340.383 2.315 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566904560 319330852 /nfs/dbraw/zinc/33/08/52/319330852.db2.gz AGGRLZYIEICQEK-CYBMUJFWSA-N 1 0 332.404 2.052 20 5 EEBDRO CCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000566969024 319336565 /nfs/dbraw/zinc/33/65/65/319336565.db2.gz PTIBGIMPNINMHR-AWEZNQCLSA-N 1 0 338.404 2.131 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000567112412 319349670 /nfs/dbraw/zinc/34/96/70/319349670.db2.gz WMEGPIBVIFETND-HTQZYQBOSA-N 1 0 330.182 2.213 20 5 EEBDRO C[NH+](C)CCOCCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000567115889 319350119 /nfs/dbraw/zinc/35/01/19/319350119.db2.gz KETGAKARPQQKTB-CYBMUJFWSA-N 1 0 335.326 2.366 20 5 EEBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577621830 320266510 /nfs/dbraw/zinc/26/65/10/320266510.db2.gz GWWZYJZGPCTXCR-ZDUSSCGKSA-N 1 0 343.387 2.324 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 ZINC000578127048 320295967 /nfs/dbraw/zinc/29/59/67/320295967.db2.gz WHTXJIGXDNWPIG-CQSZACIVSA-N 1 0 349.387 2.003 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000578890418 323730673 /nfs/dbraw/zinc/73/06/73/323730673.db2.gz OGNDTKXWFBJXCG-BXUZGUMPSA-N 1 0 339.417 2.015 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCOC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000580191030 324012489 /nfs/dbraw/zinc/01/24/89/324012489.db2.gz FLBKHGYJXJSPEU-INIZCTEOSA-N 1 0 334.372 2.462 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000580303677 324035141 /nfs/dbraw/zinc/03/51/41/324035141.db2.gz LOJXNAGJYBPMRQ-DZGCQCFKSA-N 1 0 347.415 2.231 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581944399 324347295 /nfs/dbraw/zinc/34/72/95/324347295.db2.gz PHMOSZOAZQYYAK-SFHVURJKSA-N 1 0 348.447 2.301 20 5 EEBDRO C[NH+](C)CCn1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000584003151 324777032 /nfs/dbraw/zinc/77/70/32/324777032.db2.gz WTHPFWOXKNWZQY-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092361928 462948016 /nfs/dbraw/zinc/94/80/16/462948016.db2.gz KCEFWCYJLZIZLM-UHFFFAOYSA-N 1 0 349.431 2.268 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165859200 463649441 /nfs/dbraw/zinc/64/94/41/463649441.db2.gz YXVPPXIDYIBIFS-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000236182057 464213591 /nfs/dbraw/zinc/21/35/91/464213591.db2.gz DGOUGSLWNPYCNH-VIFPVBQESA-N 1 0 329.198 2.318 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000280891606 464265480 /nfs/dbraw/zinc/26/54/80/464265480.db2.gz DDJZGFUQYFHYEE-CABCVRRESA-N 1 0 347.415 2.415 20 5 EEBDRO C[N@H+](CCOc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315787 465028718 /nfs/dbraw/zinc/02/87/18/465028718.db2.gz GLGBPXLOFIHPDJ-HNNXBMFYSA-N 1 0 346.383 2.345 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000326872678 465045032 /nfs/dbraw/zinc/04/50/32/465045032.db2.gz ZNKDMRFHQKIFLH-NSHDSACASA-N 1 0 349.387 2.017 20 5 EEBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000347756286 465207641 /nfs/dbraw/zinc/20/76/41/465207641.db2.gz SYRBKVHJNOKOOL-LLPBQKLSSA-N 1 0 329.356 2.496 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000337262245 465273863 /nfs/dbraw/zinc/27/38/63/465273863.db2.gz YDWLULMMAIWSBG-UHFFFAOYSA-N 1 0 328.372 2.194 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1SC ZINC000298061303 465288415 /nfs/dbraw/zinc/28/84/15/465288415.db2.gz KDESKCYQOJBDFB-UMVBOHGHSA-N 1 0 336.417 2.470 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000060567987 462558470 /nfs/dbraw/zinc/55/84/70/462558470.db2.gz HWMFXEAWVHRPBT-KBPBESRZSA-N 1 0 333.388 2.350 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000061035298 462573557 /nfs/dbraw/zinc/57/35/57/462573557.db2.gz PGMWFJNFJKZPDI-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000153682819 462678871 /nfs/dbraw/zinc/67/88/71/462678871.db2.gz YOIKGTFSVSJRMP-ZDUSSCGKSA-N 1 0 344.415 2.467 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000153725200 462683623 /nfs/dbraw/zinc/68/36/23/462683623.db2.gz CMVXEZLPALZPFG-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000116278024 462751283 /nfs/dbraw/zinc/75/12/83/462751283.db2.gz MWMYCXFWYAWWLP-GFCCVEGCSA-N 1 0 327.812 2.401 20 5 EEBDRO CC1CC[NH+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000047672126 462813462 /nfs/dbraw/zinc/81/34/62/462813462.db2.gz HHVPCFRGGGQIJE-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000092424431 462951224 /nfs/dbraw/zinc/95/12/24/462951224.db2.gz QUDOGSDLEYJLCG-UHFFFAOYSA-N 1 0 349.431 2.361 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000067118865 462967088 /nfs/dbraw/zinc/96/70/88/462967088.db2.gz LBHVKLAFHCBYBW-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067283435 462988626 /nfs/dbraw/zinc/98/86/26/462988626.db2.gz YCAOSMGSIZZHND-ZDUSSCGKSA-N 1 0 330.388 2.136 20 5 EEBDRO CCOC(=O)c1ccnc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000077905949 463070182 /nfs/dbraw/zinc/07/01/82/463070182.db2.gz QGJSBAYBPPIJMP-UHFFFAOYSA-N 1 0 336.392 2.454 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134686200 463070658 /nfs/dbraw/zinc/07/06/58/463070658.db2.gz XEUFQUNEIGHDOL-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000121713912 463182123 /nfs/dbraw/zinc/18/21/23/463182123.db2.gz VWERGNIOGIPMRM-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000054287021 463224037 /nfs/dbraw/zinc/22/40/37/463224037.db2.gz GWSVBUFTTAZTBF-LBPRGKRZSA-N 1 0 334.420 2.417 20 5 EEBDRO NC(=O)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000079927284 463261563 /nfs/dbraw/zinc/26/15/63/463261563.db2.gz JPLYTFXFNHYNAT-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000159321087 463280591 /nfs/dbraw/zinc/28/05/91/463280591.db2.gz IQNVFZMEUIOFLA-GFCCVEGCSA-N 1 0 332.385 2.185 20 5 EEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000055298207 463306311 /nfs/dbraw/zinc/30/63/11/463306311.db2.gz JOZAZLNPONHQCQ-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160690409 463362687 /nfs/dbraw/zinc/36/26/87/463362687.db2.gz NZPPYTXUUVCMFP-GASCZTMLSA-N 1 0 332.404 2.140 20 5 EEBDRO CCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162108636 463483501 /nfs/dbraw/zinc/48/35/01/463483501.db2.gz ZMDHHFXSJQDYKP-LBPRGKRZSA-N 1 0 329.422 2.041 20 5 EEBDRO CCC1(O)CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000072724123 463540299 /nfs/dbraw/zinc/54/02/99/463540299.db2.gz GCHCVKVDCNYCAI-UHFFFAOYSA-N 1 0 349.387 2.130 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000151862013 463602435 /nfs/dbraw/zinc/60/24/35/463602435.db2.gz DAFAFRADQPQGHJ-LBPRGKRZSA-N 1 0 334.420 2.298 20 5 EEBDRO CC[NH+]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000043304045 463634037 /nfs/dbraw/zinc/63/40/37/463634037.db2.gz JRNFNKJUVYWCOL-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127137238 463684450 /nfs/dbraw/zinc/68/44/50/463684450.db2.gz NHUHBXWFMQXSAN-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000170774771 463704336 /nfs/dbraw/zinc/70/43/36/463704336.db2.gz HJYGCKVTEOWWDU-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009815 463732594 /nfs/dbraw/zinc/73/25/94/463732594.db2.gz GFVKVIREFIXMGK-NEPJUHHUSA-N 1 0 337.376 2.019 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286928274 463745569 /nfs/dbraw/zinc/74/55/69/463745569.db2.gz DQNYJATXFTWXMM-XJKSGUPXSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c2ccncc21 ZINC000193950042 463763768 /nfs/dbraw/zinc/76/37/68/463763768.db2.gz OGIAIHUJZPDUMU-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177795396 463792653 /nfs/dbraw/zinc/79/26/53/463792653.db2.gz BDIMCIYLPAQPJJ-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000171128525 463793350 /nfs/dbraw/zinc/79/33/50/463793350.db2.gz BAMAUPRKOBRHCW-LBPRGKRZSA-N 1 0 349.412 2.354 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177862256 463805773 /nfs/dbraw/zinc/80/57/73/463805773.db2.gz WECUUQSAJVVQPE-OAHLLOKOSA-N 1 0 334.420 2.121 20 5 EEBDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000283220709 463808036 /nfs/dbraw/zinc/80/80/36/463808036.db2.gz HXFUIXFIABYCRA-UHFFFAOYSA-N 1 0 349.387 2.341 20 5 EEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000261773819 463854957 /nfs/dbraw/zinc/85/49/57/463854957.db2.gz XDLBUXUTONAICS-BBRMVZONSA-N 1 0 337.376 2.074 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000261784940 463858626 /nfs/dbraw/zinc/85/86/26/463858626.db2.gz GHFKCGRUNINDKU-OAQYLSRUSA-N 1 0 349.434 2.352 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000194431396 463861648 /nfs/dbraw/zinc/86/16/48/463861648.db2.gz LPXFACRPIXEWDM-UHFFFAOYSA-N 1 0 347.824 2.012 20 5 EEBDRO COc1cc(-c2nc(C3([NH3+])CCCC3)no2)cc([N+](=O)[O-])c1OC ZINC000261792325 463861632 /nfs/dbraw/zinc/86/16/32/463861632.db2.gz GHNYVFKDLZJOMC-UHFFFAOYSA-N 1 0 334.332 2.390 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000178259421 463870014 /nfs/dbraw/zinc/87/00/14/463870014.db2.gz LKKMORXCSJIWER-LBPRGKRZSA-N 1 0 348.403 2.274 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339674110 465434200 /nfs/dbraw/zinc/43/42/00/465434200.db2.gz XDMVBUAIXASGKD-JSGCOSHPSA-N 1 0 335.429 2.430 20 5 EEBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000172015854 463970046 /nfs/dbraw/zinc/97/00/46/463970046.db2.gz FFMCORKATANNCO-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])CC1 ZINC000178783884 463972922 /nfs/dbraw/zinc/97/29/22/463972922.db2.gz MMTBIWIXQGFRBH-HNNXBMFYSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178847972 463990972 /nfs/dbraw/zinc/99/09/72/463990972.db2.gz YHAIQQUPZWTXFU-CYBMUJFWSA-N 1 0 334.420 2.373 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000269621377 464036261 /nfs/dbraw/zinc/03/62/61/464036261.db2.gz DUVZDEVQLSOHEQ-LBPRGKRZSA-N 1 0 338.360 2.010 20 5 EEBDRO COc1cc(CNc2nc(N(C)C)cc(C)[nH+]2)c([N+](=O)[O-])cc1O ZINC000283909787 464038350 /nfs/dbraw/zinc/03/83/50/464038350.db2.gz UXKJYTZQCAHPGZ-UHFFFAOYSA-N 1 0 333.348 2.086 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270046758 464169057 /nfs/dbraw/zinc/16/90/57/464169057.db2.gz FAWCFJUOVBTGLJ-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270057374 464173035 /nfs/dbraw/zinc/17/30/35/464173035.db2.gz GMWAECIGTBDYSH-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[C@H]1O ZINC000270154303 464201778 /nfs/dbraw/zinc/20/17/78/464201778.db2.gz ROMBIGUKZKGLRW-GXTWGEPZSA-N 1 0 332.360 2.238 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000263850599 464215910 /nfs/dbraw/zinc/21/59/10/464215910.db2.gz GMYISJQXRGXGRO-NWDGAFQWSA-N 1 0 332.360 2.410 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236712749 464221323 /nfs/dbraw/zinc/22/13/23/464221323.db2.gz KBZVKIRHDVWHSD-KRWDZBQOSA-N 1 0 345.403 2.274 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000264345034 464294608 /nfs/dbraw/zinc/29/46/08/464294608.db2.gz QTBCGCZMFNVABI-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237489507 464328674 /nfs/dbraw/zinc/32/86/74/464328674.db2.gz JTHGMBOZFFQHJV-JQWIXIFHSA-N 1 0 341.795 2.355 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271666531 464357282 /nfs/dbraw/zinc/35/72/82/464357282.db2.gz WFBZYABQVKLAJE-GJZGRUSLSA-N 1 0 325.434 2.223 20 5 EEBDRO C[C@H]1C[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000359608183 465472120 /nfs/dbraw/zinc/47/21/20/465472120.db2.gz DOOVVNRSVFKPFO-QWHCGFSZSA-N 1 0 333.388 2.046 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000281448069 464458376 /nfs/dbraw/zinc/45/83/76/464458376.db2.gz FBKQJKCXUZQNCL-GOEBONIOSA-N 1 0 347.415 2.225 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000272052680 464462326 /nfs/dbraw/zinc/46/23/26/464462326.db2.gz ZRDIALVOMJREBI-UHFFFAOYSA-N 1 0 330.388 2.161 20 5 EEBDRO CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000181283202 464467454 /nfs/dbraw/zinc/46/74/54/464467454.db2.gz QGZUVUKEOOLYFK-UHFFFAOYSA-N 1 0 325.796 2.297 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000181498887 464498084 /nfs/dbraw/zinc/49/80/84/464498084.db2.gz YJNKDPSOMNPIJF-KRWDZBQOSA-N 1 0 349.431 2.479 20 5 EEBDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285386325 464545532 /nfs/dbraw/zinc/54/55/32/464545532.db2.gz WNTJDKDIKICKHK-QITLCBANSA-N 1 0 345.399 2.312 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285487068 464583223 /nfs/dbraw/zinc/58/32/23/464583223.db2.gz IKQNKUYQIAYBNY-KEYYUXOJSA-N 1 0 346.431 2.480 20 5 EEBDRO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182288274 464620038 /nfs/dbraw/zinc/62/00/38/464620038.db2.gz WHGWUOFHXJKUIT-KGLIPLIRSA-N 1 0 331.372 2.423 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272519051 464641725 /nfs/dbraw/zinc/64/17/25/464641725.db2.gz HBMSZLFSCLSHLK-HNNXBMFYSA-N 1 0 343.383 2.157 20 5 EEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294958801 464661953 /nfs/dbraw/zinc/66/19/53/464661953.db2.gz CLCGJXWENXQHSE-YOEHRIQHSA-N 1 0 346.431 2.151 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000282016711 464669169 /nfs/dbraw/zinc/66/91/69/464669169.db2.gz RUIYEZQFVSKDHD-LLVKDONJSA-N 1 0 325.796 2.378 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000568988352 468419225 /nfs/dbraw/zinc/41/92/25/468419225.db2.gz QORCQAPNZOMDQF-UWVGGRQHSA-N 1 0 329.784 2.259 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152593 464724553 /nfs/dbraw/zinc/72/45/53/464724553.db2.gz AJVXTCQRKXYXNO-SSKCKEOISA-N 1 0 347.415 2.133 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934596 464739616 /nfs/dbraw/zinc/73/96/16/464739616.db2.gz FQFUPVAQKJTCPF-XJKSGUPXSA-N 1 0 344.415 2.348 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000266833145 464838795 /nfs/dbraw/zinc/83/87/95/464838795.db2.gz TWOGDYPQWPPUEC-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000192028481 464851956 /nfs/dbraw/zinc/85/19/56/464851956.db2.gz CRSUSAJZFOXQNJ-GFCCVEGCSA-N 1 0 347.824 2.044 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1C ZINC000192027709 464852782 /nfs/dbraw/zinc/85/27/82/464852782.db2.gz IISCUSFMUQROOB-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO CCCC[NH+]1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286482587 464934083 /nfs/dbraw/zinc/93/40/83/464934083.db2.gz USKVZRSHAUAUBP-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599988968 468429614 /nfs/dbraw/zinc/42/96/14/468429614.db2.gz PVYKRVKXNZIYPO-BSLXNSKLSA-N 1 0 335.429 2.094 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358847225 465355961 /nfs/dbraw/zinc/35/59/61/465355961.db2.gz FQUPUBBHJYPZRH-AWEZNQCLSA-N 1 0 328.372 2.317 20 5 EEBDRO CCOC1(C)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000298383713 465381883 /nfs/dbraw/zinc/38/18/83/465381883.db2.gz VSOKIDIAUPKTJY-CQSZACIVSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000359816066 465492312 /nfs/dbraw/zinc/49/23/12/465492312.db2.gz VWFBFEGHGKKTPX-HIFRSBDPSA-N 1 0 342.399 2.326 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000339832488 465539481 /nfs/dbraw/zinc/53/94/81/465539481.db2.gz CIJCAZBMOPSRBW-UHFFFAOYSA-N 1 0 325.328 2.084 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591297626 468442135 /nfs/dbraw/zinc/44/21/35/468442135.db2.gz MEVJGBGPQQEHOB-UHFFFAOYSA-N 1 0 332.282 2.487 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371364692 465745754 /nfs/dbraw/zinc/74/57/54/465745754.db2.gz PDBPPTLKICRIRY-KBPBESRZSA-N 1 0 342.399 2.362 20 5 EEBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000361093683 465760395 /nfs/dbraw/zinc/76/03/95/465760395.db2.gz BSQDLDJTSPOQKG-GDBMZVCRSA-N 1 0 344.415 2.287 20 5 EEBDRO CNc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361179106 465818717 /nfs/dbraw/zinc/81/87/17/465818717.db2.gz OVBJKPHKOLXNSS-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccncc21 ZINC000301524003 465978248 /nfs/dbraw/zinc/97/82/48/465978248.db2.gz FFSCIGCYKTUWPP-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357373962 465986511 /nfs/dbraw/zinc/98/65/11/465986511.db2.gz LIEGRRJCOJPZFJ-CYBMUJFWSA-N 1 0 343.387 2.124 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361500453 466048650 /nfs/dbraw/zinc/04/86/50/466048650.db2.gz FAXNWDCDNCOJKT-CYBMUJFWSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000361658307 466183249 /nfs/dbraw/zinc/18/32/49/466183249.db2.gz FKTQPQXOSPVKOX-WFASDCNBSA-N 1 0 330.388 2.056 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367272583 466230971 /nfs/dbraw/zinc/23/09/71/466230971.db2.gz VJVMTXNSWISQFC-HOTGVXAUSA-N 1 0 346.431 2.406 20 5 EEBDRO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000340691944 466266471 /nfs/dbraw/zinc/26/64/71/466266471.db2.gz NYFDOXKETHAJAS-OAHLLOKOSA-N 1 0 342.399 2.490 20 5 EEBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242687 466303680 /nfs/dbraw/zinc/30/36/80/466303680.db2.gz MTYSUGUSPUTTKY-NSHDSACASA-N 1 0 339.827 2.224 20 5 EEBDRO Cc1c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330668 466308078 /nfs/dbraw/zinc/30/80/78/466308078.db2.gz HQIAYRIFCXAVKN-QAPCUYQASA-N 1 0 346.475 2.361 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363447185 466409136 /nfs/dbraw/zinc/40/91/36/466409136.db2.gz ADELMCSWEWCUNB-CABCVRRESA-N 1 0 335.452 2.415 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305696430 466426712 /nfs/dbraw/zinc/42/67/12/466426712.db2.gz CBFMAPYLKLJEGB-YGRLFVJLSA-N 1 0 332.360 2.409 20 5 EEBDRO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237517 466461580 /nfs/dbraw/zinc/46/15/80/466461580.db2.gz HKWRAPCIHHVSRG-HWWQOWPSSA-N 1 0 335.379 2.390 20 5 EEBDRO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237520 466461866 /nfs/dbraw/zinc/46/18/66/466461866.db2.gz HKWRAPCIHHVSRG-OZVIIMIRSA-N 1 0 335.379 2.390 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347201532 466472047 /nfs/dbraw/zinc/47/20/47/466472047.db2.gz OMABGSIFXLPQJL-BETUJISGSA-N 1 0 336.436 2.420 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358225328 466555197 /nfs/dbraw/zinc/55/51/97/466555197.db2.gz COMZCRLGKZVSHM-BBRMVZONSA-N 1 0 339.461 2.122 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000368021469 466567776 /nfs/dbraw/zinc/56/77/76/466567776.db2.gz RJAAUZLUKSFAPS-HIFRSBDPSA-N 1 0 332.404 2.454 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362148284 466588377 /nfs/dbraw/zinc/58/83/77/466588377.db2.gz ISARMKMECOADIK-WFASDCNBSA-N 1 0 335.404 2.331 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368380396 466616285 /nfs/dbraw/zinc/61/62/85/466616285.db2.gz WFHJKOFCHPDOAR-RISCZKNCSA-N 1 0 335.429 2.334 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000591681093 468502400 /nfs/dbraw/zinc/50/24/00/468502400.db2.gz RLXZNQHJIUBBOR-UHFFFAOYSA-N 1 0 335.429 2.430 20 5 EEBDRO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368475474 466645586 /nfs/dbraw/zinc/64/55/86/466645586.db2.gz SXEWBIARVYMRJN-GFCCVEGCSA-N 1 0 337.424 2.122 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000423638912 466792848 /nfs/dbraw/zinc/79/28/48/466792848.db2.gz BAKREASTAYSONC-ZDUSSCGKSA-N 1 0 333.388 2.065 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417213483 466804076 /nfs/dbraw/zinc/80/40/76/466804076.db2.gz CIUMRZLHAITZCW-SHTZXODSSA-N 1 0 334.420 2.202 20 5 EEBDRO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365510664 466841965 /nfs/dbraw/zinc/84/19/65/466841965.db2.gz LHRQPFLLOOQUNB-CQSZACIVSA-N 1 0 349.435 2.219 20 5 EEBDRO Cn1ncc2c1CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000411848301 466916646 /nfs/dbraw/zinc/91/66/46/466916646.db2.gz HPKGQKCDBDWREY-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO Cc1c(CC(=O)N2C[C@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000424074946 466972812 /nfs/dbraw/zinc/97/28/12/466972812.db2.gz KTFLQKDDTKAJTJ-OAHLLOKOSA-N 1 0 325.368 2.362 20 5 EEBDRO C[C@@H]1[C@H](CO)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066931 466992533 /nfs/dbraw/zinc/99/25/33/466992533.db2.gz DKUJANJHVFZFKY-MNOVXSKESA-N 1 0 341.795 2.280 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418076623 467039620 /nfs/dbraw/zinc/03/96/20/467039620.db2.gz GRDNBAQYOFKLRX-SOUVJXGZSA-N 1 0 332.404 2.091 20 5 EEBDRO COc1ccncc1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000431917329 467202864 /nfs/dbraw/zinc/20/28/64/467202864.db2.gz VUDPXPNBIMBABW-UHFFFAOYSA-N 1 0 330.344 2.306 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414664113 467426419 /nfs/dbraw/zinc/42/64/19/467426419.db2.gz TUNTTYXQUPRVHD-HZPDHXFCSA-N 1 0 348.403 2.345 20 5 EEBDRO Cc1c(NC(=O)CCN2CCCC[C@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000430630214 467453207 /nfs/dbraw/zinc/45/32/07/467453207.db2.gz XWQCLRCBVAVVFJ-BBRMVZONSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435233584 467453623 /nfs/dbraw/zinc/45/36/23/467453623.db2.gz VYWCKHCXAZTVBY-SMDDNHRTSA-N 1 0 335.429 2.428 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000431026823 467487755 /nfs/dbraw/zinc/48/77/55/467487755.db2.gz GMQWVJCEOLBQED-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420924512 467515573 /nfs/dbraw/zinc/51/55/73/467515573.db2.gz JZIKUKMGUCDMLO-STQMWFEESA-N 1 0 338.408 2.234 20 5 EEBDRO O=C(CNc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431501361 467520966 /nfs/dbraw/zinc/52/09/66/467520966.db2.gz XFYDWTSVWYXGHQ-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449715842 467698269 /nfs/dbraw/zinc/69/82/69/467698269.db2.gz JWKUNIGSEGQLTL-PSASIEDQSA-N 1 0 331.294 2.471 20 5 EEBDRO CC(C)(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449724060 467700457 /nfs/dbraw/zinc/70/04/57/467700457.db2.gz GLUVOYPKVNLVOE-LLVKDONJSA-N 1 0 333.310 2.268 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000449975858 467755042 /nfs/dbraw/zinc/75/50/42/467755042.db2.gz YRDXRBYBUIROMR-UHFFFAOYSA-N 1 0 327.356 2.156 20 5 EEBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450542496 467867245 /nfs/dbraw/zinc/86/72/45/467867245.db2.gz UMJXZZJAHJTTOA-NWDGAFQWSA-N 1 0 343.387 2.150 20 5 EEBDRO Cc1c(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458689152 467880595 /nfs/dbraw/zinc/88/05/95/467880595.db2.gz JSFSECIIJYQHRI-CQSZACIVSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487946757 468062062 /nfs/dbraw/zinc/06/20/62/468062062.db2.gz CDMIETIPZUHHSN-INIZCTEOSA-N 1 0 334.420 2.114 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550118516 468207481 /nfs/dbraw/zinc/20/74/81/468207481.db2.gz QCRYCCFBCNOLMZ-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C[C@H]4CCCO4)CC3)ccnc21 ZINC000590078679 468212936 /nfs/dbraw/zinc/21/29/36/468212936.db2.gz WENVMALOLADEJP-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000591728998 468511807 /nfs/dbraw/zinc/51/18/07/468511807.db2.gz CLOYDWROYIDKRW-CABCVRRESA-N 1 0 328.368 2.264 20 5 EEBDRO CC(C)(NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000597440931 468556310 /nfs/dbraw/zinc/55/63/10/468556310.db2.gz PMWMICKVPKGWOM-CQSZACIVSA-N 1 0 332.404 2.271 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000557060508 468610560 /nfs/dbraw/zinc/61/05/60/468610560.db2.gz RHTXYJQDMSCBRY-AWEZNQCLSA-N 1 0 332.356 2.133 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000600894366 468678276 /nfs/dbraw/zinc/67/82/76/468678276.db2.gz UCWIFBOGXAPOOP-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1-n1ccnc1 ZINC000592356298 468682173 /nfs/dbraw/zinc/68/21/73/468682173.db2.gz KSVILYICOAIHRV-LLVKDONJSA-N 1 0 326.316 2.255 20 5 EEBDRO COc1cc(C[NH2+]Cc2ccc(CO)cc2)c([N+](=O)[O-])cc1OC ZINC000592372075 468684438 /nfs/dbraw/zinc/68/44/38/468684438.db2.gz DUGISKZAOMUFRM-UHFFFAOYSA-N 1 0 332.356 2.394 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597853427 468693550 /nfs/dbraw/zinc/69/35/50/468693550.db2.gz AFNXSHVAGOSADK-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558691690 468707053 /nfs/dbraw/zinc/70/70/53/468707053.db2.gz HKBTWDJXOZEWGV-BBRMVZONSA-N 1 0 337.420 2.171 20 5 EEBDRO CC(C)[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[NH2+]1 ZINC000592485181 468708537 /nfs/dbraw/zinc/70/85/37/468708537.db2.gz QIPFYTBLMOLKTA-CQSZACIVSA-N 1 0 331.376 2.075 20 5 EEBDRO C[N@H+](CCSc1ncc([N+](=O)[O-])c(N)n1)Cc1ccc(F)cc1 ZINC000594900212 468719150 /nfs/dbraw/zinc/71/91/50/468719150.db2.gz QHHAGRGUHVMVEB-UHFFFAOYSA-N 1 0 337.380 2.330 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000601121732 468749704 /nfs/dbraw/zinc/74/97/04/468749704.db2.gz QWBQHZZAOLXGSF-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000601121733 468750879 /nfs/dbraw/zinc/75/08/79/468750879.db2.gz QWBQHZZAOLXGSF-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000601131596 468755147 /nfs/dbraw/zinc/75/51/47/468755147.db2.gz NEXMOUOOXRHQOW-HNNXBMFYSA-N 1 0 342.399 2.230 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000571242556 468758871 /nfs/dbraw/zinc/75/88/71/468758871.db2.gz SZCLRXXMNYOBHT-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000584048105 468791803 /nfs/dbraw/zinc/79/18/03/468791803.db2.gz CMNMTFSQIIMRIA-KGLIPLIRSA-N 1 0 336.388 2.026 20 5 EEBDRO C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC000571777574 468839704 /nfs/dbraw/zinc/83/97/04/468839704.db2.gz YRGMRHMLPJLETM-QWHCGFSZSA-N 1 0 332.404 2.051 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595512665 468883091 /nfs/dbraw/zinc/88/30/91/468883091.db2.gz ZBFJZCLHCJOQQJ-UHFFFAOYSA-N 1 0 329.404 2.046 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000598537600 468904555 /nfs/dbraw/zinc/90/45/55/468904555.db2.gz JAVGXHOLETZSQQ-UHFFFAOYSA-N 1 0 331.416 2.376 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558080 468911706 /nfs/dbraw/zinc/91/17/06/468911706.db2.gz CFXYBNNRXBCMNA-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562042 468914424 /nfs/dbraw/zinc/91/44/24/468914424.db2.gz SEANEWCCDHWOIB-OAHLLOKOSA-N 1 0 346.431 2.245 20 5 EEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1[N+](=O)[O-] ZINC000614533755 468966664 /nfs/dbraw/zinc/96/66/64/468966664.db2.gz VSYDQRDXVMJMAP-GOSISDBHSA-N 1 0 342.399 2.063 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CCO)CC2)cn1 ZINC000602623178 468971934 /nfs/dbraw/zinc/97/19/34/468971934.db2.gz FVCPABQHOMFNHS-CZUORRHYSA-N 1 0 334.420 2.099 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1=CCCOC1 ZINC000595751096 468988979 /nfs/dbraw/zinc/98/89/79/468988979.db2.gz GOJALCHXNSNGPG-UHFFFAOYSA-N 1 0 349.387 2.211 20 5 EEBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684417 469009139 /nfs/dbraw/zinc/00/91/39/469009139.db2.gz XWAANZNGFFXINA-WFASDCNBSA-N 1 0 342.403 2.451 20 5 EEBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602713871 469029031 /nfs/dbraw/zinc/02/90/31/469029031.db2.gz FLLGSVXKLNXWNS-MRVPVSSYSA-N 1 0 348.222 2.129 20 5 EEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602715726 469029203 /nfs/dbraw/zinc/02/92/03/469029203.db2.gz AEKLEOPKWRRTDF-LJGSYFOKSA-N 1 0 349.206 2.460 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595877508 469058699 /nfs/dbraw/zinc/05/86/99/469058699.db2.gz UOMBBUMSHCMYJM-MEBBXXQBSA-N 1 0 341.795 2.137 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602782889 469071247 /nfs/dbraw/zinc/07/12/47/469071247.db2.gz XZFHCGWDOQZVCV-OAHLLOKOSA-N 1 0 343.431 2.306 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2c1CC[NH2+]C2 ZINC000595939148 469093557 /nfs/dbraw/zinc/09/35/57/469093557.db2.gz FLNMSXXWMNCBGF-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000602820184 469096914 /nfs/dbraw/zinc/09/69/14/469096914.db2.gz XSGMIVISQGGLND-INIZCTEOSA-N 1 0 332.404 2.449 20 5 EEBDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969770 469118002 /nfs/dbraw/zinc/11/80/02/469118002.db2.gz SVSIZSNDSKQNSD-ZYHUDNBSSA-N 1 0 337.401 2.450 20 5 EEBDRO CCOc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599106534 469121748 /nfs/dbraw/zinc/12/17/48/469121748.db2.gz UQWUTUAQNSCPSZ-UHFFFAOYSA-N 1 0 335.404 2.295 20 5 EEBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000562991717 469126787 /nfs/dbraw/zinc/12/67/87/469126787.db2.gz HIRRPUVRQNCXDL-CPUCHLNUSA-N 1 0 338.404 2.128 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000602872840 469133051 /nfs/dbraw/zinc/13/30/51/469133051.db2.gz JUUQHPVWSFJKCC-ZDUSSCGKSA-N 1 0 326.397 2.056 20 5 EEBDRO COc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000596070661 469138815 /nfs/dbraw/zinc/13/88/15/469138815.db2.gz RCTAZOSFRMADST-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C ZINC000611084824 469156916 /nfs/dbraw/zinc/15/69/16/469156916.db2.gz XOCCJHMFPGWRBC-AWEZNQCLSA-N 1 0 346.431 2.361 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611088336 469158927 /nfs/dbraw/zinc/15/89/27/469158927.db2.gz QJCGPIBJNSRWJC-LLVKDONJSA-N 1 0 344.371 2.015 20 5 EEBDRO CC[C@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000602925451 469167634 /nfs/dbraw/zinc/16/76/34/469167634.db2.gz VWUOHGPCMNMHBU-HOTGVXAUSA-N 1 0 336.367 2.206 20 5 EEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)[NH2+]1 ZINC000563156389 469184429 /nfs/dbraw/zinc/18/44/29/469184429.db2.gz RKAPUHOIDISIBD-ZIAGYGMSSA-N 1 0 346.431 2.020 20 5 EEBDRO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)[NH2+]1 ZINC000563156387 469184918 /nfs/dbraw/zinc/18/49/18/469184918.db2.gz RKAPUHOIDISIBD-KBPBESRZSA-N 1 0 346.431 2.020 20 5 EEBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205148 469191472 /nfs/dbraw/zinc/19/14/72/469191472.db2.gz JPINBAUHFJIUMO-CZUORRHYSA-N 1 0 333.388 2.059 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000596269589 469226942 /nfs/dbraw/zinc/22/69/42/469226942.db2.gz UQOYUSQLRISBRV-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO C[NH+](C)CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522408 469271390 /nfs/dbraw/zinc/27/13/90/469271390.db2.gz WZSQOPRLWLLCBL-UHFFFAOYSA-N 1 0 328.800 2.042 20 5 EEBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599628228 469315768 /nfs/dbraw/zinc/31/57/68/469315768.db2.gz QWIHYKMCCPRXSR-NEPJUHHUSA-N 1 0 330.331 2.454 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602461544 469326124 /nfs/dbraw/zinc/32/61/24/469326124.db2.gz HHHKJTKLFAYKGC-NSHDSACASA-N 1 0 347.337 2.112 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486163 469336900 /nfs/dbraw/zinc/33/69/00/469336900.db2.gz SSFVULAZNRIWKS-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO C[NH+]1CCN(Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000603857416 469437769 /nfs/dbraw/zinc/43/77/69/469437769.db2.gz RIORNMWFEKHZAR-UHFFFAOYSA-N 1 0 341.415 2.349 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000604403078 469476899 /nfs/dbraw/zinc/47/68/99/469476899.db2.gz HOFCRFBUDBUOHW-CQSZACIVSA-N 1 0 327.384 2.432 20 5 EEBDRO CCOc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000617194462 469618966 /nfs/dbraw/zinc/61/89/66/469618966.db2.gz PKYWDPWPRFDZSB-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000619491166 469623888 /nfs/dbraw/zinc/62/38/88/469623888.db2.gz OQAFFPBCLLZHGE-STQMWFEESA-N 1 0 339.465 2.136 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000619581603 469644408 /nfs/dbraw/zinc/64/44/08/469644408.db2.gz KIAOGSJEOLKEAG-UHFFFAOYSA-N 1 0 338.327 2.439 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868406 469691491 /nfs/dbraw/zinc/69/14/91/469691491.db2.gz TXQKMOOYQPQIIS-UHFFFAOYSA-N 1 0 349.435 2.218 20 5 EEBDRO C[C@@](CO)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609483965 469930990 /nfs/dbraw/zinc/93/09/90/469930990.db2.gz WRYSVUZDMCFJAK-KRWDZBQOSA-N 1 0 329.356 2.031 20 5 EEBDRO COc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000609599086 469946125 /nfs/dbraw/zinc/94/61/25/469946125.db2.gz KPXHYYFUYKKUDE-MRXNPFEDSA-N 1 0 349.431 2.336 20 5 EEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2ccccc21 ZINC000610335376 470005173 /nfs/dbraw/zinc/00/51/73/470005173.db2.gz RRDHUHPHGIECRA-WBVHZDCISA-N 1 0 330.388 2.162 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411430992 527971406 /nfs/dbraw/zinc/97/14/06/527971406.db2.gz UEJUTJIHPKYGGN-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000188896093 528441554 /nfs/dbraw/zinc/44/15/54/528441554.db2.gz IZVURCQUBOAPEX-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000111352832 535490978 /nfs/dbraw/zinc/49/09/78/535490978.db2.gz KIZWIOSFYXOWCU-CQSZACIVSA-N 1 0 341.433 2.056 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451770262 535547632 /nfs/dbraw/zinc/54/76/32/535547632.db2.gz CNHCVLWHQBXNMV-UPJWGTAASA-N 1 0 349.387 2.243 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000451772516 536418933 /nfs/dbraw/zinc/41/89/33/536418933.db2.gz ASZFRKJVZJQUHK-HUUCEWRRSA-N 1 0 340.420 2.063 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000425059885 536487831 /nfs/dbraw/zinc/48/78/31/536487831.db2.gz SYSIHVQXEKVIFS-YVEFUNNKSA-N 1 0 342.399 2.171 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424038308 536712563 /nfs/dbraw/zinc/71/25/63/536712563.db2.gz WOUBTSXXHRENQS-INIZCTEOSA-N 1 0 347.415 2.454 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738080567 576430123 /nfs/dbraw/zinc/43/01/23/576430123.db2.gz GWDRMPUNVZMIHS-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000771815688 577232293 /nfs/dbraw/zinc/23/22/93/577232293.db2.gz CEEHEFOHTAIYLJ-LLVKDONJSA-N 1 0 346.330 2.108 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000772275260 577261419 /nfs/dbraw/zinc/26/14/19/577261419.db2.gz CYFZDWHMUZSLDO-OAHLLOKOSA-N 1 0 347.415 2.276 20 5 EEBDRO CC(C)(C)NC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772959548 577307793 /nfs/dbraw/zinc/30/77/93/577307793.db2.gz RKABALHKEBIKID-UHFFFAOYSA-N 1 0 348.447 2.458 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CC1 ZINC000774529734 577402461 /nfs/dbraw/zinc/40/24/61/577402461.db2.gz TTYQVWCAFSNOJG-INIZCTEOSA-N 1 0 332.404 2.239 20 5 EEBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105882 577495051 /nfs/dbraw/zinc/49/50/51/577495051.db2.gz LSHRQSFKHGXEPI-XJKSGUPXSA-N 1 0 344.419 2.022 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000766378519 577518164 /nfs/dbraw/zinc/51/81/64/577518164.db2.gz XJKPWFBHYRHNQI-GJZGRUSLSA-N 1 0 329.404 2.344 20 5 EEBDRO COc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001063 577655748 /nfs/dbraw/zinc/65/57/48/577655748.db2.gz YFHBIYGZZCZLGN-HOCLYGCPSA-N 1 0 344.367 2.230 20 5 EEBDRO CN(C)c1cc[nH+]c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000753013121 577780100 /nfs/dbraw/zinc/78/01/00/577780100.db2.gz IPIUQRAKVAWHMP-UHFFFAOYSA-N 1 0 334.307 2.212 20 5 EEBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000753449624 577787691 /nfs/dbraw/zinc/78/76/91/577787691.db2.gz YFCOWXDALPFSGA-NSHDSACASA-N 1 0 337.376 2.217 20 5 EEBDRO C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260998 577882361 /nfs/dbraw/zinc/88/23/61/577882361.db2.gz NHHJVCUNCSPJRN-RISCZKNCSA-N 1 0 338.795 2.026 20 5 EEBDRO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000748328383 577959412 /nfs/dbraw/zinc/95/94/12/577959412.db2.gz YGQMARJMVWOZBP-GFCCVEGCSA-N 1 0 347.419 2.037 20 5 EEBDRO COC1CCC([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749952550 577984478 /nfs/dbraw/zinc/98/44/78/577984478.db2.gz ICTHOCQTQHNWKM-UHFFFAOYSA-N 1 0 333.392 2.495 20 5 EEBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000750305014 577990165 /nfs/dbraw/zinc/99/01/65/577990165.db2.gz AFEQJIQCXQESEK-MRXNPFEDSA-N 1 0 346.383 2.478 20 5 EEBDRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000833773300 605223205 /nfs/dbraw/zinc/22/32/05/605223205.db2.gz KYTDTXXBCKRRAS-UHFFFAOYSA-N 1 0 335.404 2.056 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC001020402770 674645268 /nfs/dbraw/zinc/64/52/68/674645268.db2.gz YNCFROPGQIEEHO-XYPYZODXSA-N 1 0 338.364 2.174 20 5 EEBDRO CCc1nocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020555449 675108540 /nfs/dbraw/zinc/10/85/40/675108540.db2.gz IGMGYEXZYOFDFY-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1ncoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021940405 676555307 /nfs/dbraw/zinc/55/53/07/676555307.db2.gz PSTBPXSHJYWLLD-PHIMTYICSA-N 1 0 336.373 2.003 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891410931 676573309 /nfs/dbraw/zinc/57/33/09/676573309.db2.gz WWUDRHTYWKUMRK-SFHVURJKSA-N 1 0 346.431 2.313 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063735 676628301 /nfs/dbraw/zinc/62/83/01/676628301.db2.gz KIWRIPLZIFKKIK-XJFOESAGSA-N 1 0 339.342 2.026 20 5 EEBDRO O=C(CC1=CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022658869 676916921 /nfs/dbraw/zinc/91/69/21/676916921.db2.gz DGPYTKCZKVZVGT-IYBDPMFKSA-N 1 0 345.399 2.068 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001022576254 677921908 /nfs/dbraw/zinc/92/19/08/677921908.db2.gz HQVCYKSAZALRFO-RRACKEQVSA-N 1 0 329.400 2.378 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050900076 679477584 /nfs/dbraw/zinc/47/75/84/679477584.db2.gz STUGCRSHCPRGDL-ZDUSSCGKSA-N 1 0 345.403 2.140 20 5 EEBDRO Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000892537288 681623254 /nfs/dbraw/zinc/62/32/54/681623254.db2.gz RRPCOTFVKIJHAB-YIONKMFJSA-N 1 0 332.404 2.328 20 5 EEBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893091308 683726935 /nfs/dbraw/zinc/72/69/35/683726935.db2.gz AAGCNMHCICUWPT-HIFRSBDPSA-N 1 0 340.445 2.330 20 5 EEBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893446226 687557080 /nfs/dbraw/zinc/55/70/80/687557080.db2.gz GPEFFBPDJRATHO-GFCCVEGCSA-N 1 0 344.346 2.480 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001105558412 1188175855 /nfs/dbraw/zinc/17/58/55/1188175855.db2.gz WJNSLDZYGQVRRZ-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865175513 1198115408 /nfs/dbraw/zinc/11/54/08/1198115408.db2.gz GOTLMYTZENOMCI-UHFFFAOYSA-N 1 0 325.384 2.323 20 5 EEBDRO Cc1ccc(F)cc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873192392 1198526084 /nfs/dbraw/zinc/52/60/84/1198526084.db2.gz FXCHRYJYPRYIMG-IAGOWNOFSA-N 1 0 334.347 2.226 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876688346 1199723206 /nfs/dbraw/zinc/72/32/06/1199723206.db2.gz ROYFVCYKBFYDTA-ROUUACIJSA-N 1 0 333.432 2.243 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000876987392 1199837784 /nfs/dbraw/zinc/83/77/84/1199837784.db2.gz YNHUJEUWXANELE-UHFFFAOYSA-N 1 0 348.424 2.342 20 5 EEBDRO CC[N@@H+]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878036042 1200225612 /nfs/dbraw/zinc/22/56/12/1200225612.db2.gz DAVYJCXDPBZORG-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO O=C(Cc1cc(F)ccc1F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133035855 1200337925 /nfs/dbraw/zinc/33/79/25/1200337925.db2.gz DUGGEFGDGLFWBK-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO O=C(Cc1ccc(F)c(F)c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133043403 1200346298 /nfs/dbraw/zinc/34/62/98/1200346298.db2.gz XPVNIGUYCVBPMV-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866304857 1201489091 /nfs/dbraw/zinc/48/90/91/1201489091.db2.gz AGGMIIBMSBZCAD-RISCZKNCSA-N 1 0 338.383 2.058 20 5 EEBDRO CC[NH+](CC)CCCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000800165741 1202215611 /nfs/dbraw/zinc/21/56/11/1202215611.db2.gz JNDAHZKFRCEHEZ-UHFFFAOYSA-N 1 0 347.375 2.064 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CCc3nc[nH]c3[C@H]2c2ccccc2)n1 ZINC000931795115 1207464138 /nfs/dbraw/zinc/46/41/38/1207464138.db2.gz RHCCXEGNILNOKG-QGZVFWFLSA-N 1 0 338.371 2.162 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC000934232713 1207927983 /nfs/dbraw/zinc/92/79/83/1207927983.db2.gz FVYWHPMPFLJVOV-CYBMUJFWSA-N 1 0 328.372 2.458 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778249776 1207977388 /nfs/dbraw/zinc/97/73/88/1207977388.db2.gz CHTORUHYDFPKPC-JTQLQIEISA-N 1 0 349.416 2.060 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778257538 1207996988 /nfs/dbraw/zinc/99/69/88/1207996988.db2.gz JBIKUGTYBWYRMF-UHFFFAOYSA-N 1 0 327.331 2.241 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155440554 1208327119 /nfs/dbraw/zinc/32/71/19/1208327119.db2.gz IEOASPIVWIHJEG-SWLSCSKDSA-N 1 0 331.376 2.046 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC000195157333 1211329047 /nfs/dbraw/zinc/32/90/47/1211329047.db2.gz RLLWKGWQPRJSMU-MRXNPFEDSA-N 1 0 346.362 2.349 20 5 EEBDRO CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530512 1215184886 /nfs/dbraw/zinc/18/48/86/1215184886.db2.gz BAUUIGSVYKFPJV-ZIAGYGMSSA-N 1 0 325.453 2.497 20 5 EEBDRO CCN(CCCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC001095929161 1226336883 /nfs/dbraw/zinc/33/68/83/1226336883.db2.gz FXYIZAPJYWMYGS-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO COC[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000112960285 1226369157 /nfs/dbraw/zinc/36/91/57/1226369157.db2.gz RXHSYEQUGIXBMZ-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncs1 ZINC001020010337 1229439710 /nfs/dbraw/zinc/43/97/10/1229439710.db2.gz ILJZXCZOJUQDBD-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435810 1237595687 /nfs/dbraw/zinc/59/56/87/1237595687.db2.gz VDKKPARJHBICMO-YFHUEUNASA-N 1 0 341.415 2.489 20 5 EEBDRO O=C(c1ccoc1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048676562 1238266141 /nfs/dbraw/zinc/26/61/41/1238266141.db2.gz FKMKHABJYYVRLS-IYBDPMFKSA-N 1 0 341.367 2.392 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001001400513 1242197787 /nfs/dbraw/zinc/19/77/87/1242197787.db2.gz STZPJCJWSOEPTG-NVXWUHKLSA-N 1 0 349.406 2.128 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001097110758 1243714862 /nfs/dbraw/zinc/71/48/62/1243714862.db2.gz KPBPCLSDLIQQBJ-JOCQHMNTSA-N 1 0 332.404 2.138 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579222 1278143683 /nfs/dbraw/zinc/14/36/83/1278143683.db2.gz HYKPGWXHPDYYHE-CJNGLKHVSA-N 1 0 348.447 2.471 20 5 EEBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851950878 1291928571 /nfs/dbraw/zinc/92/85/71/1291928571.db2.gz ABBAHYUJWUVCJZ-CMPLNLGQSA-N 1 0 340.380 2.238 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1F ZINC000852636535 1292149956 /nfs/dbraw/zinc/14/99/56/1292149956.db2.gz WPWXNHRNUAKUMB-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CNC(=O)CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000853116147 1292287879 /nfs/dbraw/zinc/28/78/79/1292287879.db2.gz HEXDBTGRZXIWFO-INIZCTEOSA-N 1 0 349.431 2.304 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856729685 1293608800 /nfs/dbraw/zinc/60/88/00/1293608800.db2.gz PRTODAAHJOLANA-SNVBAGLBSA-N 1 0 344.209 2.490 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857764242 1293910634 /nfs/dbraw/zinc/91/06/34/1293910634.db2.gz MZCIQHVIQZFHOZ-JTQLQIEISA-N 1 0 343.330 2.152 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000794629936 1296498896 /nfs/dbraw/zinc/49/88/96/1296498896.db2.gz BRSOTMUHDOPFFY-CYBMUJFWSA-N 1 0 346.387 2.020 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC001217345644 1297421810 /nfs/dbraw/zinc/42/18/10/1297421810.db2.gz RPOVOSCTPAIMND-UHFFFAOYSA-N 1 0 326.247 2.494 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001217399803 1297429071 /nfs/dbraw/zinc/42/90/71/1297429071.db2.gz LSSJNAYCEXTBID-UHFFFAOYSA-N 1 0 327.275 2.449 20 5 EEBDRO C[NH2+][C@H]1C[C@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001217954544 1297534972 /nfs/dbraw/zinc/53/49/72/1297534972.db2.gz PHTMVTODBNAGOI-ZKCHVHJHSA-N 1 0 348.140 2.329 20 5 EEBDRO COc1cc(O[C@@H]2C[NH2+][C@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218386930 1297649648 /nfs/dbraw/zinc/64/96/48/1297649648.db2.gz NURUZNDDPSDSAL-RMLUDKJBSA-N 1 0 343.335 2.105 20 5 EEBDRO CC(C)OCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222547920 1299673683 /nfs/dbraw/zinc/67/36/83/1299673683.db2.gz KCHSEGZZDONVOD-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO CCCCOC(=O)C[C@H](OCC[N+](C)(C)C)C(=O)OCCCC ZINC001224771017 1300730464 /nfs/dbraw/zinc/73/04/64/1300730464.db2.gz FELHPIVEZHNIDD-HNNXBMFYSA-N 1 0 332.461 2.155 20 5 EEBDRO COC(=O)c1cccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001227897126 1302001201 /nfs/dbraw/zinc/00/12/01/1302001201.db2.gz OBFXGGLUTPQEKD-ATCWAGBWSA-N 1 0 334.372 2.491 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523564 1304079022 /nfs/dbraw/zinc/07/90/22/1304079022.db2.gz ADRHONPSMWBTIB-NWDGAFQWSA-N 1 0 338.383 2.087 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677558 1304326554 /nfs/dbraw/zinc/32/65/54/1304326554.db2.gz OVZCUTWZNSWJEW-UKRRQHHQSA-N 1 0 344.795 2.158 20 5 EEBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)cc1Br ZINC001233656592 1304549130 /nfs/dbraw/zinc/54/91/30/1304549130.db2.gz CMXJOCXHJZXWIC-GFCCVEGCSA-N 1 0 345.257 2.429 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(Cl)cc1C(F)(F)F ZINC001233972809 1304662714 /nfs/dbraw/zinc/66/27/14/1304662714.db2.gz NJSLZPOAMDPLCF-SECBINFHSA-N 1 0 341.737 2.116 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001116850803 1305923911 /nfs/dbraw/zinc/92/39/11/1305923911.db2.gz VFJJSPYHLAYUQB-UKRRQHHQSA-N 1 0 349.387 2.163 20 5 EEBDRO [NH3+][C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC001122341175 1310265712 /nfs/dbraw/zinc/26/57/12/1310265712.db2.gz LMSPVMCHUGNYAQ-LSDHHAIUSA-N 1 0 329.400 2.403 20 5 EEBDRO CC[C@H]1CN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001246803962 1310433586 /nfs/dbraw/zinc/43/35/86/1310433586.db2.gz ORRTZZCDXFNVDL-NEPJUHHUSA-N 1 0 325.384 2.357 20 5 EEBDRO COCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246930026 1310469879 /nfs/dbraw/zinc/46/98/79/1310469879.db2.gz RJQCVMUVEPSONY-SJLPKXTDSA-N 1 0 333.432 2.153 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)Cc1ccccc1 ZINC001248214107 1310864355 /nfs/dbraw/zinc/86/43/55/1310864355.db2.gz UKPGQFAHOIGBGR-LBPRGKRZSA-N 1 0 343.318 2.291 20 5 EEBDRO [NH3+]C[C@H](Cc1ccccc1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248351729 1310893095 /nfs/dbraw/zinc/89/30/95/1310893095.db2.gz HYPMBTPNEKNXSG-NSHDSACASA-N 1 0 343.318 2.464 20 5 EEBDRO COc1ccc(Nc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001248460746 1310908123 /nfs/dbraw/zinc/90/81/23/1310908123.db2.gz COGWBVFUXFLEPG-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839539822 1315213186 /nfs/dbraw/zinc/21/31/86/1315213186.db2.gz XWLSDYGIMNKEMX-LTCOOKNTSA-N 1 0 345.443 2.446 20 5 EEBDRO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000839551034 1315214541 /nfs/dbraw/zinc/21/45/41/1315214541.db2.gz JNYGAHZUKZZMLR-BZUAXINKSA-N 1 0 347.415 2.004 20 5 EEBDRO C[C@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]C1 ZINC000841854549 1315624149 /nfs/dbraw/zinc/62/41/49/1315624149.db2.gz BRBHBSSBZYLTJC-HNNXBMFYSA-N 1 0 340.811 2.437 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854844 1315624746 /nfs/dbraw/zinc/62/47/46/1315624746.db2.gz FKEDLHWDTJDXHB-AWEZNQCLSA-N 1 0 326.784 2.129 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841857406 1315625079 /nfs/dbraw/zinc/62/50/79/1315625079.db2.gz YANBVXPJVRXLKR-ONGXEEELSA-N 1 0 326.784 2.188 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000843114357 1315846083 /nfs/dbraw/zinc/84/60/83/1315846083.db2.gz RMRGEKQRXYXWIG-WMZOPIPTSA-N 1 0 330.384 2.212 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843377569 1315903899 /nfs/dbraw/zinc/90/38/99/1315903899.db2.gz CFUHTVVGRYKAAY-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843507535 1315925857 /nfs/dbraw/zinc/92/58/57/1315925857.db2.gz XLYTVCDIHQJQCZ-UHFFFAOYSA-N 1 0 334.420 2.444 20 5 EEBDRO O=C(CCc1cccs1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150577466 1316304459 /nfs/dbraw/zinc/30/44/59/1316304459.db2.gz OALROSMEVDGFSO-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO O=C(COC1CCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155055223 1317435863 /nfs/dbraw/zinc/43/58/63/1317435863.db2.gz ODUBNPLZTSVRQR-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO [NH3+]CC1CN([C@@H]2CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001155371527 1317568232 /nfs/dbraw/zinc/56/82/32/1317568232.db2.gz AQOCEOXATPAOEI-MRXNPFEDSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc2c1 ZINC001155523813 1317636963 /nfs/dbraw/zinc/63/69/63/1317636963.db2.gz VLRGCPKTUBCUGD-XPKDYRNWSA-N 1 0 328.372 2.179 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1 ZINC001156376528 1317986041 /nfs/dbraw/zinc/98/60/41/1317986041.db2.gz PGYCCENBDIIPNQ-AMIZOPFISA-N 1 0 343.840 2.148 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001156390434 1317991416 /nfs/dbraw/zinc/99/14/16/1317991416.db2.gz YLGHFCKTANRIBZ-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156523870 1318052606 /nfs/dbraw/zinc/05/26/06/1318052606.db2.gz WUKYRRZXBFEQDP-INIZCTEOSA-N 1 0 328.372 2.477 20 5 EEBDRO C[N@H+](Cc1cnccn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480019 1318084065 /nfs/dbraw/zinc/08/40/65/1318084065.db2.gz ULPSVSAHTUUGMT-UHFFFAOYSA-N 1 0 327.388 2.486 20 5 EEBDRO COc1ncnc(OC)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254536221 1318113585 /nfs/dbraw/zinc/11/35/85/1318113585.db2.gz ARRSHXBJTYZHGY-LLVKDONJSA-N 1 0 332.360 2.123 20 5 EEBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254572333 1318126403 /nfs/dbraw/zinc/12/64/03/1318126403.db2.gz LDMJGMJZSWHTGO-MRXNPFEDSA-N 1 0 331.416 2.299 20 5 EEBDRO COc1ccc([C@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577662 1318129645 /nfs/dbraw/zinc/12/96/45/1318129645.db2.gz GFXUOLPQNYYZKS-QAPCUYQASA-N 1 0 328.368 2.394 20 5 EEBDRO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580515 1318129886 /nfs/dbraw/zinc/12/98/86/1318129886.db2.gz GDKUEZHQXQWFSJ-HNNXBMFYSA-N 1 0 346.408 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C1)C2 ZINC001254585213 1318133175 /nfs/dbraw/zinc/13/31/75/1318133175.db2.gz LOSMARFVTKBWDG-QZTJIDSGSA-N 1 0 338.411 2.321 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590386 1318137012 /nfs/dbraw/zinc/13/70/12/1318137012.db2.gz WOPKEJFWCXAXKN-WBVHZDCISA-N 1 0 327.384 2.209 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001156724824 1318182256 /nfs/dbraw/zinc/18/22/56/1318182256.db2.gz JYUCJKLVFOELOJ-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO COc1cc2ncnc(N3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001157265621 1318532722 /nfs/dbraw/zinc/53/27/22/1318532722.db2.gz KGDIHVQODPILPL-IAQYHMDHSA-N 1 0 343.387 2.077 20 5 EEBDRO Cc1nc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001157383916 1318592606 /nfs/dbraw/zinc/59/26/06/1318592606.db2.gz ODRQAOWPTVQHMT-UHFFFAOYSA-N 1 0 338.371 2.499 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3nc(Cl)c(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001157979131 1318957458 /nfs/dbraw/zinc/95/74/58/1318957458.db2.gz CNSSRQRVFPEYTD-ZETCQYMHSA-N 1 0 328.159 2.298 20 5 EEBDRO [NH3+]Cc1ccc2c(n1)N(c1ncnc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001158649511 1319354817 /nfs/dbraw/zinc/35/48/17/1319354817.db2.gz LXSFNJXGOHPITF-UHFFFAOYSA-N 1 0 336.355 2.476 20 5 EEBDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)cn2)c([N+](=O)[O-])c1 ZINC001159122393 1319624419 /nfs/dbraw/zinc/62/44/19/1319624419.db2.gz WAZZAGKMNRLOMK-UHFFFAOYSA-N 1 0 329.360 2.152 20 5 EEBDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)nc2)c([N+](=O)[O-])c1 ZINC001159164329 1319650430 /nfs/dbraw/zinc/65/04/30/1319650430.db2.gz KCRGJZGFQPBFIY-UHFFFAOYSA-N 1 0 329.360 2.152 20 5 EEBDRO CN1CC[NH+](CCCNc2cc3cccnc3c([N+](=O)[O-])c2)CC1 ZINC001161708762 1320596585 /nfs/dbraw/zinc/59/65/85/1320596585.db2.gz VLOMATGGRFVGQT-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CN1CCc2c(NC[C@]3(F)CCCC[NH2+]C3)ccc([N+](=O)[O-])c2C1 ZINC001162587490 1320905539 /nfs/dbraw/zinc/90/55/39/1320905539.db2.gz SFDSRJACPSMDLX-KRWDZBQOSA-N 1 0 336.411 2.476 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001162760315 1320952285 /nfs/dbraw/zinc/95/22/85/1320952285.db2.gz YQTKULYPXSEOCM-SECBINFHSA-N 1 0 341.327 2.135 20 5 EEBDRO Cc1nc(Cl)nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163050240 1321023675 /nfs/dbraw/zinc/02/36/75/1321023675.db2.gz KSMFPDQYNGKXBO-JTQLQIEISA-N 1 0 337.767 2.125 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC001163053989 1321025063 /nfs/dbraw/zinc/02/50/63/1321025063.db2.gz XEUURIPIEDLJTE-LBPRGKRZSA-N 1 0 339.355 2.316 20 5 EEBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163395121 1321114277 /nfs/dbraw/zinc/11/42/77/1321114277.db2.gz NEDNUSUVLRNHLT-JTQLQIEISA-N 1 0 327.182 2.258 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccon1 ZINC001163604178 1321168277 /nfs/dbraw/zinc/16/82/77/1321168277.db2.gz OPUBFJXDDCWETK-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO COc1nc(SC)nc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001165260517 1321485128 /nfs/dbraw/zinc/48/51/28/1321485128.db2.gz HKXZYNYFLPCAJV-SNVBAGLBSA-N 1 0 341.437 2.259 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001165266224 1321487111 /nfs/dbraw/zinc/48/71/11/1321487111.db2.gz JPMOCQDGEIAOQM-LBPRGKRZSA-N 1 0 345.325 2.204 20 5 EEBDRO CC(C)Oc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165433760 1321525646 /nfs/dbraw/zinc/52/56/46/1321525646.db2.gz KJQKBMCCUFEQNY-VXGBXAGGSA-N 1 0 338.383 2.290 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]2CF)CC1 ZINC001165436626 1321526160 /nfs/dbraw/zinc/52/61/60/1321526160.db2.gz SNLDSYCJPKGRHH-GHMZBOCLSA-N 1 0 331.351 2.051 20 5 EEBDRO COCc1nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165633000 1321556291 /nfs/dbraw/zinc/55/62/91/1321556291.db2.gz LAVYXHQXWIRAEH-UHFFFAOYSA-N 1 0 344.158 2.232 20 5 EEBDRO CCc1c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001166662313 1321759885 /nfs/dbraw/zinc/75/98/85/1321759885.db2.gz TZDMDQGZQOEBOK-UHFFFAOYSA-N 1 0 344.415 2.405 20 5 EEBDRO CCc1c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001166661805 1321760178 /nfs/dbraw/zinc/76/01/78/1321760178.db2.gz JETUVKSJLLNWGI-UHFFFAOYSA-N 1 0 344.415 2.405 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)n1 ZINC001166700611 1321769335 /nfs/dbraw/zinc/76/93/35/1321769335.db2.gz KNUJFSVCOPKMDV-JTQLQIEISA-N 1 0 334.767 2.041 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)c(F)c1 ZINC001262113580 1322237900 /nfs/dbraw/zinc/23/79/00/1322237900.db2.gz TTXBVALXKDXJCV-UHFFFAOYSA-N 1 0 337.395 2.467 20 5 EEBDRO C[NH+]1CCN(c2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cn2)CC1 ZINC001210392083 1325263322 /nfs/dbraw/zinc/26/33/22/1325263322.db2.gz AMWXZQGELNBYTM-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO Cc1cc(N(C)CC[N@H+](C)CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307165363 1331512950 /nfs/dbraw/zinc/51/29/50/1331512950.db2.gz GQVPTQOMCPFSAV-UHFFFAOYSA-N 1 0 335.326 2.282 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)n1 ZINC001307237291 1331521308 /nfs/dbraw/zinc/52/13/08/1331521308.db2.gz XHBMQNCEHVRVQP-OAHLLOKOSA-N 1 0 330.363 2.458 20 5 EEBDRO CS[C@@H]1CC[C@@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC001323267905 1333426562 /nfs/dbraw/zinc/42/65/62/1333426562.db2.gz CRQWICDLOGEOMM-ZYHUDNBSSA-N 1 0 349.412 2.364 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609167050 1351872947 /nfs/dbraw/zinc/87/29/47/1351872947.db2.gz YPTBGBNXYDBGOG-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001327713694 1334338434 /nfs/dbraw/zinc/33/84/34/1334338434.db2.gz DTTHXRORMMISLH-RNCFNFMXSA-N 1 0 333.779 2.332 20 5 EEBDRO C[NH+]1CCN(c2ccc(CCNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC001337570358 1336715172 /nfs/dbraw/zinc/71/51/72/1336715172.db2.gz VKJJHTSIHPPIRF-UHFFFAOYSA-N 1 0 347.444 2.458 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337875142 1336747183 /nfs/dbraw/zinc/74/71/83/1336747183.db2.gz FGKJRUGBRXFBNT-AWEZNQCLSA-N 1 0 327.388 2.283 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC001343251528 1337331470 /nfs/dbraw/zinc/33/14/70/1337331470.db2.gz OGPFFCIZDZPHAV-KGLIPLIRSA-N 1 0 338.433 2.413 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC001343251526 1337331519 /nfs/dbraw/zinc/33/15/19/1337331519.db2.gz OGPFFCIZDZPHAV-KBPBESRZSA-N 1 0 338.433 2.413 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116993 1343968579 /nfs/dbraw/zinc/96/85/79/1343968579.db2.gz CZIXPPVMYVYRGB-RYUDHWBXSA-N 1 0 331.376 2.204 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001580262473 1344502962 /nfs/dbraw/zinc/50/29/62/1344502962.db2.gz VNIYOTDHFSVSFA-OCCSQVGLSA-N 1 0 343.387 2.232 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589137371 1348964302 /nfs/dbraw/zinc/96/43/02/1348964302.db2.gz ZKDBIFLQCRNIOB-JTQLQIEISA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590259556 1349234091 /nfs/dbraw/zinc/23/40/91/1349234091.db2.gz KSUAXRVCERAQKR-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO C[C@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590261876 1349238547 /nfs/dbraw/zinc/23/85/47/1349238547.db2.gz ZBFTYKOGMPJCHZ-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001591969438 1349571858 /nfs/dbraw/zinc/57/18/58/1349571858.db2.gz RDPGPLBUEOCMJR-UHFFFAOYSA-N 1 0 338.371 2.416 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603897184 1350797686 /nfs/dbraw/zinc/79/76/86/1350797686.db2.gz CXNYTTGRYYUUCF-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001604182000 1350886436 /nfs/dbraw/zinc/88/64/36/1350886436.db2.gz VVVUUFGXFXUUIN-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001604182699 1350887127 /nfs/dbraw/zinc/88/71/27/1350887127.db2.gz OSNSVDPLZKTCHK-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC001607084063 1351410789 /nfs/dbraw/zinc/41/07/89/1351410789.db2.gz RXLQTRWHKDVRLH-LBPRGKRZSA-N 1 0 328.376 2.397 20 5 EEBDRO CCOCCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000927088572 1369864150 /nfs/dbraw/zinc/86/41/50/1369864150.db2.gz OTJVRYSAIIISOE-UHFFFAOYSA-N 1 0 337.420 2.206 20 5 EEBDRO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cocn1 ZINC001752247237 1406240623 /nfs/dbraw/zinc/24/06/23/1406240623.db2.gz NWJWUFKRLFVEPO-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO Cc1ncccc1CC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001753232538 1406722197 /nfs/dbraw/zinc/72/21/97/1406722197.db2.gz ZMRCUWTVZDIQDJ-UHFFFAOYSA-N 1 0 348.428 2.150 20 5 EEBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1C ZINC001576650449 1403595391 /nfs/dbraw/zinc/59/53/91/1403595391.db2.gz WKFBVROBKSOIBD-KXUCPTDWSA-N 1 0 327.331 2.461 20 5 EEBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CC[NH2+]C1 ZINC001577658271 1403667109 /nfs/dbraw/zinc/66/71/09/1403667109.db2.gz ZDCYXRBVEJZAEN-ZDUSSCGKSA-N 1 0 344.419 2.309 20 5 EEBDRO [NH3+]CC1(F)CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164391749 718812529 /nfs/dbraw/zinc/81/25/29/718812529.db2.gz HZXZDJGXQVSGBQ-UHFFFAOYSA-N 1 0 338.717 2.455 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000840252609 782457518 /nfs/dbraw/zinc/45/75/18/782457518.db2.gz XSUJRRTZDHHLOJ-ONGXEEELSA-N 1 0 346.309 2.284 20 5 EEBDRO CN1CCc2c(-n3nc(C[NH3+])c4ccccc43)ccc([N+](=O)[O-])c2C1 ZINC001167701855 761893111 /nfs/dbraw/zinc/89/31/11/761893111.db2.gz VKWGGTCCKUNLGG-UHFFFAOYSA-N 1 0 337.383 2.380 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CC[NH+](C)C)CCCC2)n1 ZINC001104425056 760692390 /nfs/dbraw/zinc/69/23/90/760692390.db2.gz MUSLIKBXKPAVSE-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(CC[NH+]1CCC(CCO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782495675 761156901 /nfs/dbraw/zinc/15/69/01/761156901.db2.gz HXHIZLFPYIZTGE-UHFFFAOYSA-N 1 0 339.367 2.157 20 5 EEBDRO CCN(CCNc1ncc([N+](=O)[O-])cc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001106979472 782757427 /nfs/dbraw/zinc/75/74/27/782757427.db2.gz PNQUKLQGMNYTHQ-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](c2ccccc2)C1 ZINC000195137283 770326659 /nfs/dbraw/zinc/32/66/59/770326659.db2.gz UQIKFEQYJAYQCT-KRWDZBQOSA-N 1 0 340.383 2.306 20 5 EEBDRO CC(F)(F)C(=O)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980609786 774991498 /nfs/dbraw/zinc/99/14/98/774991498.db2.gz ZTGCDWNQUJWFSB-UHFFFAOYSA-N 1 0 327.331 2.284 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091380502 790513054 /nfs/dbraw/zinc/51/30/54/790513054.db2.gz XDGMVJILGYSIPG-BETUJISGSA-N 1 0 349.435 2.027 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CC3(CCC3)C1)C2 ZINC000981764521 778160480 /nfs/dbraw/zinc/16/04/80/778160480.db2.gz SAEXSDWFAJVFSB-HZPDHXFCSA-N 1 0 347.459 2.156 20 5 EEBDRO CCOC(=O)c1cnc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001168593156 790850003 /nfs/dbraw/zinc/85/00/03/790850003.db2.gz HLPMLUWJJIKQKD-STQMWFEESA-N 1 0 336.392 2.451 20 5 EEBDRO Cc1ccc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997770384 791031805 /nfs/dbraw/zinc/03/18/05/791031805.db2.gz WGKJSFAISDBLGB-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035704750 784984759 /nfs/dbraw/zinc/98/47/59/784984759.db2.gz WLIOQZMIWLSUQB-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818531635 785273785 /nfs/dbraw/zinc/27/37/85/785273785.db2.gz HSXHKVLWTZZPLG-UHFFFAOYSA-N 1 0 331.775 2.373 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000818554306 785290730 /nfs/dbraw/zinc/29/07/30/785290730.db2.gz GTQCEDPEOUXOBE-AWEZNQCLSA-N 1 0 329.759 2.173 20 5 EEBDRO O=C1Nc2ccccc2[C@@H]1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818977939 785346312 /nfs/dbraw/zinc/34/63/12/785346312.db2.gz AAHBNXGGQNEOJK-RDJZCZTQSA-N 1 0 341.367 2.344 20 5 EEBDRO COc1c(C)cnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000818989142 785355214 /nfs/dbraw/zinc/35/52/14/785355214.db2.gz ZHLDQJATZHZMKZ-MRXNPFEDSA-N 1 0 331.372 2.438 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000819170809 785445019 /nfs/dbraw/zinc/44/50/19/785445019.db2.gz ARILXNAHQBOVSB-HOTGVXAUSA-N 1 0 344.367 2.448 20 5 EEBDRO COCC[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819221699 785477344 /nfs/dbraw/zinc/47/73/44/785477344.db2.gz MNZMVIIWVVHUTB-WMLDXEAASA-N 1 0 334.372 2.459 20 5 EEBDRO C[S@](=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819309514 785494711 /nfs/dbraw/zinc/49/47/11/785494711.db2.gz ASTNCLOLEISSLS-XDHUDOTRSA-N 1 0 348.424 2.297 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000820552267 785969018 /nfs/dbraw/zinc/96/90/18/785969018.db2.gz MXFAIKCREFEROG-XCBNKYQSSA-N 1 0 344.774 2.134 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000996428394 786394034 /nfs/dbraw/zinc/39/40/34/786394034.db2.gz AYAUISRYLQKXIO-QZTJIDSGSA-N 1 0 343.427 2.310 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001107239140 786591480 /nfs/dbraw/zinc/59/14/80/786591480.db2.gz FTMYRZNJDIXMDZ-ONEGZZNKSA-N 1 0 346.431 2.329 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001107275085 786719986 /nfs/dbraw/zinc/71/99/86/786719986.db2.gz OFDLXZSJUGFFKL-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO Nc1ccc(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000822634720 787330370 /nfs/dbraw/zinc/33/03/70/787330370.db2.gz KFSMAKKYXLOQEI-NWDGAFQWSA-N 1 0 329.360 2.330 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000822861758 787441219 /nfs/dbraw/zinc/44/12/19/787441219.db2.gz FTCPYFVCAJPALY-ZBEGNZNMSA-N 1 0 330.344 2.044 20 5 EEBDRO O=[N+]([O-])c1ccc2sc(-c3nc(N4CC[NH2+]CC4)no3)cc2c1 ZINC000823330175 787690793 /nfs/dbraw/zinc/69/07/93/787690793.db2.gz MWBYMMWVXFAPIG-UHFFFAOYSA-N 1 0 331.357 2.269 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671719 787864990 /nfs/dbraw/zinc/86/49/90/787864990.db2.gz UGYWQVFMJGOQRL-SJORKVTESA-N 1 0 343.383 2.047 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923444649 789554590 /nfs/dbraw/zinc/55/45/90/789554590.db2.gz SGMQRXVORWZGTK-HZSPNIEDSA-N 1 0 334.420 2.303 20 5 EEBDRO C[C@H](CNc1cc(Cl)c(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000845480762 789825511 /nfs/dbraw/zinc/82/55/11/789825511.db2.gz NMPPZFPJEJDJIE-SNVBAGLBSA-N 1 0 330.791 2.435 20 5 EEBDRO CC(C)(CC(N)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000227060405 790183311 /nfs/dbraw/zinc/18/33/11/790183311.db2.gz QHHRHSKLOCXXAU-UHFFFAOYSA-N 1 0 330.182 2.101 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1csc(Cl)n1 ZINC001146813657 791500785 /nfs/dbraw/zinc/50/07/85/791500785.db2.gz IHKFEJKDXGKKHH-UHFFFAOYSA-N 1 0 346.821 2.286 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cccc2ncc([N+](=O)[O-])n21 ZINC001171397436 794699697 /nfs/dbraw/zinc/69/96/97/794699697.db2.gz PVDAEPCLEQQWCY-LLVKDONJSA-N 1 0 325.328 2.100 20 5 EEBDRO O=C(CC[NH+]1CCCCC1)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093686087 795553130 /nfs/dbraw/zinc/55/31/30/795553130.db2.gz ASFULMRMSBVQEE-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO Cc1cc(NCCNC(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001093670982 795562770 /nfs/dbraw/zinc/56/27/70/795562770.db2.gz LTSKCEUKMQIQND-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093671248 795566163 /nfs/dbraw/zinc/56/61/63/795566163.db2.gz TVGAQRUSZIVEDX-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903477 797131020 /nfs/dbraw/zinc/13/10/20/797131020.db2.gz GLZKAWZOHAIIBX-CVEARBPZSA-N 1 0 331.416 2.443 20 5 EEBDRO O=C1NCC[C@]12CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172905757 797131802 /nfs/dbraw/zinc/13/18/02/797131802.db2.gz UCTWQHDQTHLAFI-MAUKXSAKSA-N 1 0 329.400 2.054 20 5 EEBDRO Cc1nc(=N)n([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1C[NH3+] ZINC001172906201 797132828 /nfs/dbraw/zinc/13/28/28/797132828.db2.gz MVZKPDUZRDOVGM-OAHLLOKOSA-N 1 0 327.388 2.158 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CN(c3ncccn3)C1)CC2 ZINC001172912272 797170855 /nfs/dbraw/zinc/17/08/55/797170855.db2.gz MVIQJQAWMLMAJO-OAHLLOKOSA-N 1 0 339.399 2.111 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C(N)=O)CCCC2)c1F ZINC001173176521 797277305 /nfs/dbraw/zinc/27/73/05/797277305.db2.gz HQSNWYCQRMEBBM-SNVBAGLBSA-N 1 0 339.367 2.061 20 5 EEBDRO COC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181441 797279365 /nfs/dbraw/zinc/27/93/65/797279365.db2.gz WCCVVNFJFPBOSJ-VHSXEESVSA-N 1 0 328.340 2.215 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001095233601 797565051 /nfs/dbraw/zinc/56/50/51/797565051.db2.gz FRAPJOQUJPNKPL-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165075936 797619267 /nfs/dbraw/zinc/61/92/67/797619267.db2.gz FLYDPYXKVKDMTM-QMMMGPOBSA-N 1 0 331.829 2.291 20 5 EEBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000916977153 798008464 /nfs/dbraw/zinc/00/84/64/798008464.db2.gz LJIUNLLXPKXFMO-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO CCC(=O)NC1(CCOC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001150848523 799792849 /nfs/dbraw/zinc/79/28/49/799792849.db2.gz UCZXMEKZLAMVCZ-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1nccs1 ZINC001003833870 800296548 /nfs/dbraw/zinc/29/65/48/800296548.db2.gz HYJNMZMEXHJSGM-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110317087 801240999 /nfs/dbraw/zinc/24/09/99/801240999.db2.gz CDGCMZJRIDGSSA-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168978251 803543829 /nfs/dbraw/zinc/54/38/29/803543829.db2.gz QHBWNEXYLVCREX-UAGQMJEPSA-N 1 0 331.416 2.326 20 5 EEBDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168985879 803548651 /nfs/dbraw/zinc/54/86/51/803548651.db2.gz VJDKGTNPERZLCN-GJZGRUSLSA-N 1 0 325.453 2.306 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)C1 ZINC001168997261 803563265 /nfs/dbraw/zinc/56/32/65/803563265.db2.gz YGNMFZJCXNWGBY-WBVHZDCISA-N 1 0 333.432 2.456 20 5 EEBDRO COc1ccccc1Cn1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168998307 803564021 /nfs/dbraw/zinc/56/40/21/803564021.db2.gz LDFHCPCAFXWXKQ-GDBMZVCRSA-N 1 0 344.415 2.475 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)C1 ZINC001168998046 803564055 /nfs/dbraw/zinc/56/40/55/803564055.db2.gz HQMDFEONNVEAGC-ZIAGYGMSSA-N 1 0 335.404 2.174 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169011072 803570799 /nfs/dbraw/zinc/57/07/99/803570799.db2.gz IBSACRGAGJDCHJ-CBBWQLFWSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169036463 803579987 /nfs/dbraw/zinc/57/99/87/803579987.db2.gz OPMUKKRTJOYEBY-RFQIPJPRSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035945 803580376 /nfs/dbraw/zinc/58/03/76/803580376.db2.gz MIHLKVRDVIHEOO-CABCVRRESA-N 1 0 347.415 2.025 20 5 EEBDRO CN1c2ccccc2[C@@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169023209 803589255 /nfs/dbraw/zinc/58/92/55/803589255.db2.gz DMNNNLLLSGJGBN-GLJUWKHASA-N 1 0 329.400 2.052 20 5 EEBDRO CCn1ncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001169024696 803590565 /nfs/dbraw/zinc/59/05/65/803590565.db2.gz JTMJAUGIGRXHNT-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO COc1cc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ccn1 ZINC001169054997 803597117 /nfs/dbraw/zinc/59/71/17/803597117.db2.gz OXRYBAXEQOQZAS-ZFWWWQNUSA-N 1 0 334.420 2.094 20 5 EEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000787569334 807155200 /nfs/dbraw/zinc/15/52/00/807155200.db2.gz ANSNGNIPSWLVPV-UHFFFAOYSA-N 1 0 341.433 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000788474175 807542229 /nfs/dbraw/zinc/54/22/29/807542229.db2.gz MISOUMVHGVBJFQ-MRXNPFEDSA-N 1 0 330.388 2.306 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC001170306441 809875102 /nfs/dbraw/zinc/87/51/02/809875102.db2.gz VFSLWMMWVPOIIH-LBPRGKRZSA-N 1 0 343.383 2.423 20 5 EEBDRO CCc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001129583797 810921900 /nfs/dbraw/zinc/92/19/00/810921900.db2.gz XHRQCWNZGNLAEG-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO COCc1sccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130255226 811353350 /nfs/dbraw/zinc/35/33/50/811353350.db2.gz LSOCFSDSGNASEF-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001130637029 811874441 /nfs/dbraw/zinc/87/44/41/811874441.db2.gz OLLNJVLGFVGNOH-UHFFFAOYSA-N 1 0 342.399 2.173 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Cl)s1 ZINC001131294121 812634493 /nfs/dbraw/zinc/63/44/93/812634493.db2.gz PDSLLDJEYJOCHN-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000174026590 231103436 /nfs/dbraw/zinc/10/34/36/231103436.db2.gz VXDWSPHWPXRHMY-KRWDZBQOSA-N 1 0 349.431 2.160 20 5 EEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187347708 529983952 /nfs/dbraw/zinc/98/39/52/529983952.db2.gz VONDBUUFNGXFFX-UHFFFAOYSA-N 1 0 335.404 2.211 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000133891025 530044978 /nfs/dbraw/zinc/04/49/78/530044978.db2.gz SLYRREMAMWSNQJ-CQSZACIVSA-N 1 0 346.431 2.409 20 5 EEBDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000102938672 219242160 /nfs/dbraw/zinc/24/21/60/219242160.db2.gz VJCIIDPMOVROPV-UHFFFAOYSA-N 1 0 337.420 2.386 20 5 EEBDRO C[NH+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]2C1 ZINC000351590215 283248782 /nfs/dbraw/zinc/24/87/82/283248782.db2.gz SCVQCZBKZBOHFL-UWVGGRQHSA-N 1 0 343.305 2.247 20 5 EEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000449590264 296022602 /nfs/dbraw/zinc/02/26/02/296022602.db2.gz LBHOYKFTBWRKDJ-CHWSQXEVSA-N 1 0 334.420 2.297 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCC[NH2+]C1 ZINC000415432525 238962735 /nfs/dbraw/zinc/96/27/35/238962735.db2.gz FVFBVJNZFRMCFW-VIFPVBQESA-N 1 0 332.282 2.487 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422735020 240199673 /nfs/dbraw/zinc/19/96/73/240199673.db2.gz UGDKMTSVEIWATP-LLVKDONJSA-N 1 0 339.370 2.302 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423562008 240528329 /nfs/dbraw/zinc/52/83/29/240528329.db2.gz KFZKRAWCOSHFRN-XQQFMLRXSA-N 1 0 333.388 2.193 20 5 EEBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236824283 242370815 /nfs/dbraw/zinc/37/08/15/242370815.db2.gz QCHKAVOSHKWMBE-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO O=C(CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617074 243177754 /nfs/dbraw/zinc/17/77/54/243177754.db2.gz XGDUYPFCTAUWTI-AEFFLSMTSA-N 1 0 347.415 2.310 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC ZINC000451633267 243185265 /nfs/dbraw/zinc/18/52/65/243185265.db2.gz QWYOOCUMXLUGCQ-TZMCWYRMSA-N 1 0 337.376 2.089 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000081334781 217384655 /nfs/dbraw/zinc/38/46/55/217384655.db2.gz WDJYGPCHOSHRGS-NSHDSACASA-N 1 0 338.383 2.120 20 5 EEBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112081038 220241875 /nfs/dbraw/zinc/24/18/75/220241875.db2.gz FIDYBXIYSCORBS-UHFFFAOYSA-N 1 0 343.431 2.217 20 5 EEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000264214180 246193807 /nfs/dbraw/zinc/19/38/07/246193807.db2.gz UOQDTWIJYKOBFP-UHFFFAOYSA-N 1 0 339.417 2.031 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000491882991 246195176 /nfs/dbraw/zinc/19/51/76/246195176.db2.gz FIXDGHAVYAHLCZ-VOTSOKGWSA-N 1 0 347.415 2.177 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000266321991 248247008 /nfs/dbraw/zinc/24/70/08/248247008.db2.gz RCSBYPQJWWLLBI-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000266607923 248380732 /nfs/dbraw/zinc/38/07/32/248380732.db2.gz GQVHIPAMVHTVHQ-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO O=C(c1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000095081240 218274846 /nfs/dbraw/zinc/27/48/46/218274846.db2.gz VDKQLNUKDHHVJT-UHFFFAOYSA-N 1 0 331.294 2.351 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000267245197 256041771 /nfs/dbraw/zinc/04/17/71/256041771.db2.gz CHADJHZCUSJUDT-NWDGAFQWSA-N 1 0 339.367 2.102 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853256 221196910 /nfs/dbraw/zinc/19/69/10/221196910.db2.gz KBEWRQNRTUIGSZ-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO CS[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270547004 256146881 /nfs/dbraw/zinc/14/68/81/256146881.db2.gz YVPQKMNZQZPADL-SIEMXDPISA-N 1 0 335.429 2.112 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000270985048 256196002 /nfs/dbraw/zinc/19/60/02/256196002.db2.gz AKROVFCAKWQFKD-UHFFFAOYSA-N 1 0 335.404 2.471 20 5 EEBDRO CC[NH+](CC)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273961664 256341705 /nfs/dbraw/zinc/34/17/05/256341705.db2.gz OTTHRMOLIYPXBX-UHFFFAOYSA-N 1 0 325.384 2.470 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262487677 152284036 /nfs/dbraw/zinc/28/40/36/152284036.db2.gz TVPNBYDLCJLRFW-SNVBAGLBSA-N 1 0 334.401 2.446 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000249149500 160375440 /nfs/dbraw/zinc/37/54/40/160375440.db2.gz XKPKQKNQYDGRSU-QWHCGFSZSA-N 1 0 349.387 2.054 20 5 EEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192541309 160171186 /nfs/dbraw/zinc/17/11/86/160171186.db2.gz FDDAHVCAPCSRAR-MRXNPFEDSA-N 1 0 348.428 2.125 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192529327 160171274 /nfs/dbraw/zinc/17/12/74/160171274.db2.gz VWDDMWADOVMCID-OAGGEKHMSA-N 1 0 331.416 2.184 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000246743600 160292433 /nfs/dbraw/zinc/29/24/33/160292433.db2.gz HBOPLMMANKZYHT-KBPBESRZSA-N 1 0 333.388 2.160 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N[C@@H](C(C)=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342296009 161054327 /nfs/dbraw/zinc/05/43/27/161054327.db2.gz PSVGXPAMVKQMJA-DOTOQJQBSA-N 1 0 335.404 2.365 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000342380756 161061038 /nfs/dbraw/zinc/06/10/38/161061038.db2.gz KCMNZKRZMZXMQP-TZMCWYRMSA-N 1 0 328.372 2.316 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000342762029 161088372 /nfs/dbraw/zinc/08/83/72/161088372.db2.gz WMLZGNGDTBNQMF-IUODEOHRSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343427231 161134906 /nfs/dbraw/zinc/13/49/06/161134906.db2.gz DWIFRNMKKVXNNQ-MWLCHTKSSA-N 1 0 343.330 2.409 20 5 EEBDRO CC[N@H+](C[C@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343629346 161152894 /nfs/dbraw/zinc/15/28/94/161152894.db2.gz UAMZDKPVQBDWHU-CVEARBPZSA-N 1 0 333.388 2.201 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000344116636 161199689 /nfs/dbraw/zinc/19/96/89/161199689.db2.gz OIQPMMMRSOZOGB-QGTPRVQTSA-N 1 0 347.415 2.210 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000349962579 161665787 /nfs/dbraw/zinc/66/57/87/161665787.db2.gz NUVVTQVHXDGOBY-MRVPVSSYSA-N 1 0 335.282 2.003 20 5 EEBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000351985998 162015405 /nfs/dbraw/zinc/01/54/05/162015405.db2.gz DITXNXMJNCMFLF-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1cc(NCC[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352429750 162133267 /nfs/dbraw/zinc/13/32/67/162133267.db2.gz BGKCSZUFKBOZAZ-UHFFFAOYSA-N 1 0 327.388 2.288 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352519386 162168165 /nfs/dbraw/zinc/16/81/65/162168165.db2.gz OHDYXQUIZXUBMH-DGCLKSJQSA-N 1 0 325.434 2.422 20 5 EEBDRO COc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000352534829 162176578 /nfs/dbraw/zinc/17/65/78/162176578.db2.gz JOFWDKSMEHSWBB-QGZVFWFLSA-N 1 0 335.404 2.188 20 5 EEBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000355454253 163196069 /nfs/dbraw/zinc/19/60/69/163196069.db2.gz JWMKYWGWPPPXAP-UHFFFAOYSA-N 1 0 341.408 2.291 20 5 EEBDRO Cc1ccnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355723625 163281892 /nfs/dbraw/zinc/28/18/92/163281892.db2.gz UAQNSQJEUNYTIS-SFHVURJKSA-N 1 0 342.399 2.347 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356145103 163349471 /nfs/dbraw/zinc/34/94/71/163349471.db2.gz FVTAJDPDHBXVMI-UHFFFAOYSA-N 1 0 345.403 2.100 20 5 EEBDRO CO[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000359616841 164138167 /nfs/dbraw/zinc/13/81/67/164138167.db2.gz DJLMOZPUIKUJOS-CQSZACIVSA-N 1 0 332.303 2.091 20 5 EEBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000171708279 227238507 /nfs/dbraw/zinc/23/85/07/227238507.db2.gz YLEZALNSVJEZRF-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO C[NH+](C)C1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269606100 268709666 /nfs/dbraw/zinc/70/96/66/268709666.db2.gz CJVWUMGFBQPBAR-UHFFFAOYSA-N 1 0 328.363 2.311 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCCS(C)(=O)=O ZINC000274747544 269049317 /nfs/dbraw/zinc/04/93/17/269049317.db2.gz LLALBVFAUBBMOA-UHFFFAOYSA-N 1 0 344.433 2.298 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000278303591 269222409 /nfs/dbraw/zinc/22/24/09/269222409.db2.gz SFOMADSYILTHHP-KBPBESRZSA-N 1 0 346.431 2.455 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000278655668 269239975 /nfs/dbraw/zinc/23/99/75/269239975.db2.gz MURHJKPRDWPPSL-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000279310164 269270114 /nfs/dbraw/zinc/27/01/14/269270114.db2.gz RFQCWNWWSUMAMD-UKRRQHHQSA-N 1 0 335.404 2.373 20 5 EEBDRO C[N@H+](CCCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279725666 269302361 /nfs/dbraw/zinc/30/23/61/269302361.db2.gz MJUBBMWDCRRZHW-UHFFFAOYSA-N 1 0 329.784 2.281 20 5 EEBDRO C[C@@H]([NH3+])CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277498826 274299641 /nfs/dbraw/zinc/29/96/41/274299641.db2.gz OTVWWJYIEIVJAG-SECBINFHSA-N 1 0 348.325 2.269 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000277586784 274315140 /nfs/dbraw/zinc/31/51/40/274315140.db2.gz MTDHMVBGHGERJH-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278542770 274369466 /nfs/dbraw/zinc/36/94/66/274369466.db2.gz XSYZAXWBBBZWNC-OAHLLOKOSA-N 1 0 329.404 2.395 20 5 EEBDRO CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000285672079 274772446 /nfs/dbraw/zinc/77/24/46/274772446.db2.gz PZMANNOHIHHYDH-KBPBESRZSA-N 1 0 331.388 2.350 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000286348969 274862967 /nfs/dbraw/zinc/86/29/67/274862967.db2.gz KTESIZGAZMLRBA-UHFFFAOYSA-N 1 0 336.392 2.451 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000288469166 275061529 /nfs/dbraw/zinc/06/15/29/275061529.db2.gz QHYRCAATEBVFQN-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO COCCOCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289053138 275097313 /nfs/dbraw/zinc/09/73/13/275097313.db2.gz QMRMDCFKYPFHOM-UHFFFAOYSA-N 1 0 349.387 2.387 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)OC ZINC000291167527 275277574 /nfs/dbraw/zinc/27/75/74/275277574.db2.gz GOUDITOSCIBPSL-GFCCVEGCSA-N 1 0 339.392 2.289 20 5 EEBDRO COCCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000291201343 275281235 /nfs/dbraw/zinc/28/12/35/275281235.db2.gz NFDIRVHNLRHVES-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO CCN(CCO)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186578418 276133213 /nfs/dbraw/zinc/13/32/13/276133213.db2.gz ZUXWNENINLTYIE-WBVHZDCISA-N 1 0 335.448 2.210 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000359549641 276328080 /nfs/dbraw/zinc/32/80/80/276328080.db2.gz WQYKGDIFMXRURU-CQSZACIVSA-N 1 0 339.440 2.057 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000175394888 279327971 /nfs/dbraw/zinc/32/79/71/279327971.db2.gz LAGPJGBVVJQEBN-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO COC1(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000293785594 293295339 /nfs/dbraw/zinc/29/53/39/293295339.db2.gz MBTGVWJYQNEGKS-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(N)c([N+](=O)[O-])c1 ZINC000293840092 293307630 /nfs/dbraw/zinc/30/76/30/293307630.db2.gz CMMVCOWVUHHYBC-KRWDZBQOSA-N 1 0 332.404 2.043 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)[N@H+]1C ZINC000293944842 293333343 /nfs/dbraw/zinc/33/33/43/293333343.db2.gz JKMNZUYVGMACKN-TXEJJXNPSA-N 1 0 330.388 2.170 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000293995624 293345729 /nfs/dbraw/zinc/34/57/29/293345729.db2.gz LXPXTVORLSDTLO-ZDUSSCGKSA-N 1 0 335.429 2.106 20 5 EEBDRO CCn1ccnc1[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000294141678 293380456 /nfs/dbraw/zinc/38/04/56/293380456.db2.gz OJSFLMDVGVNSCB-HNNXBMFYSA-N 1 0 345.403 2.200 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCC(O)CC3)o2)cc1 ZINC000294912969 293578558 /nfs/dbraw/zinc/57/85/58/293578558.db2.gz SNMCRFSGOOHSAX-UHFFFAOYSA-N 1 0 345.399 2.401 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296083801 293888130 /nfs/dbraw/zinc/88/81/30/293888130.db2.gz SRHDGHRXZGXZTB-CYBMUJFWSA-N 1 0 335.404 2.231 20 5 EEBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296663068 294033502 /nfs/dbraw/zinc/03/35/02/294033502.db2.gz FQPMCQSUFDYAGJ-LBPRGKRZSA-N 1 0 348.403 2.404 20 5 EEBDRO COC(=O)Cc1ccc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000296782811 294066612 /nfs/dbraw/zinc/06/66/12/294066612.db2.gz NNLRMLKSRPWAJT-UHFFFAOYSA-N 1 0 333.388 2.351 20 5 EEBDRO Cc1nc(NCC2([NH+](C)C)Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000297015822 294129282 /nfs/dbraw/zinc/12/92/82/294129282.db2.gz GQHAXEVMZPIOBI-UHFFFAOYSA-N 1 0 327.388 2.204 20 5 EEBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488715675 300298525 /nfs/dbraw/zinc/29/85/25/300298525.db2.gz QIBCBWRDLOGUDW-GFCCVEGCSA-N 1 0 332.404 2.004 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000162600587 311377014 /nfs/dbraw/zinc/37/70/14/311377014.db2.gz WUOUOHLWKJBVCC-UHFFFAOYSA-N 1 0 345.403 2.100 20 5 EEBDRO Cc1c(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332424001 312005200 /nfs/dbraw/zinc/00/52/00/312005200.db2.gz AXLFDFGPRGFFEB-OAHLLOKOSA-N 1 0 332.404 2.283 20 5 EEBDRO CCC[NH+](CCC)CCCc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350891580 312350876 /nfs/dbraw/zinc/35/08/76/312350876.db2.gz UMPVHCMUVXCWJT-UHFFFAOYSA-N 1 0 336.396 2.433 20 5 EEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000351489081 312385085 /nfs/dbraw/zinc/38/50/85/312385085.db2.gz BZNYHOKPZUKMSF-BBRMVZONSA-N 1 0 332.360 2.286 20 5 EEBDRO COCCNC(=O)C1([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000414184107 312979649 /nfs/dbraw/zinc/97/96/49/312979649.db2.gz NMXQCQQMIVLOBZ-HNNXBMFYSA-N 1 0 347.415 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414656107 313057874 /nfs/dbraw/zinc/05/78/74/313057874.db2.gz MJKHDFDXIAIPDV-OLZOCXBDSA-N 1 0 348.403 2.457 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414772611 313083763 /nfs/dbraw/zinc/08/37/63/313083763.db2.gz CGCNGKKXBBBREZ-ZDUSSCGKSA-N 1 0 339.823 2.436 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414962493 313116943 /nfs/dbraw/zinc/11/69/43/313116943.db2.gz ZSJYIBNKXCZCBQ-JTQLQIEISA-N 1 0 344.318 2.412 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708740 313572896 /nfs/dbraw/zinc/57/28/96/313572896.db2.gz AEIVQSZINOPDIN-HIFRSBDPSA-N 1 0 334.420 2.296 20 5 EEBDRO CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000425441671 314395092 /nfs/dbraw/zinc/39/50/92/314395092.db2.gz HFUBTDBMBOZHMT-NSHDSACASA-N 1 0 342.193 2.068 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430607435 314557874 /nfs/dbraw/zinc/55/78/74/314557874.db2.gz CFROWEQXYDHXIP-ZWNOBZJWSA-N 1 0 340.811 2.388 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430607428 314557919 /nfs/dbraw/zinc/55/79/19/314557919.db2.gz CFROWEQXYDHXIP-GXFFZTMASA-N 1 0 340.811 2.388 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N(C)C)CCC1 ZINC000437078701 315025073 /nfs/dbraw/zinc/02/50/73/315025073.db2.gz OAXANYZMNVNHJT-CYBMUJFWSA-N 1 0 334.420 2.386 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000440317940 315123893 /nfs/dbraw/zinc/12/38/93/315123893.db2.gz QUSSNFHCHAYTRA-GFCCVEGCSA-N 1 0 337.424 2.121 20 5 EEBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000441273197 315177523 /nfs/dbraw/zinc/17/75/23/315177523.db2.gz BZNVMYXOOYWXEZ-GDBMZVCRSA-N 1 0 332.404 2.462 20 5 EEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(C)C ZINC000444121283 315274664 /nfs/dbraw/zinc/27/46/64/315274664.db2.gz HNZHJJQIUUXWCW-QAPCUYQASA-N 1 0 347.415 2.012 20 5 EEBDRO COc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1[N+](=O)[O-] ZINC000447058859 315366022 /nfs/dbraw/zinc/36/60/22/315366022.db2.gz JMJPGQILEGTLCP-UHFFFAOYSA-N 1 0 333.388 2.048 20 5 EEBDRO NC(=O)c1c[nH+]ccc1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000514993208 316446889 /nfs/dbraw/zinc/44/68/89/316446889.db2.gz LUQYQPNQALHWBT-ZDUSSCGKSA-N 1 0 326.356 2.473 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCO)CC1 ZINC000533416929 317912634 /nfs/dbraw/zinc/91/26/34/317912634.db2.gz ZZAOTAZKSBOADY-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000543386056 318157190 /nfs/dbraw/zinc/15/71/90/318157190.db2.gz OZXZSCVMFJIDBF-LBPRGKRZSA-N 1 0 349.387 2.318 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3ccncc3)CC2)cn1 ZINC000546611745 318255475 /nfs/dbraw/zinc/25/54/75/318255475.db2.gz JRZILERLLHHTIU-UHFFFAOYSA-N 1 0 327.388 2.140 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000563446834 319012317 /nfs/dbraw/zinc/01/23/17/319012317.db2.gz YSJPNNBTTFTASJ-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COCc1cccs1 ZINC000563617694 319031067 /nfs/dbraw/zinc/03/10/67/319031067.db2.gz ILNBRJDDJZSFRF-CQSZACIVSA-N 1 0 336.413 2.366 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000563695103 319038088 /nfs/dbraw/zinc/03/80/88/319038088.db2.gz DJXHXKGUKNEYKR-GJZGRUSLSA-N 1 0 346.431 2.448 20 5 EEBDRO CNc1nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000564417741 319083605 /nfs/dbraw/zinc/08/36/05/319083605.db2.gz HFSJAWLMDIBIPX-UHFFFAOYSA-N 1 0 349.435 2.224 20 5 EEBDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000564565770 319091787 /nfs/dbraw/zinc/09/17/87/319091787.db2.gz WVBDOFJAXRXPIN-WCQYABFASA-N 1 0 329.360 2.416 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000564721718 319104311 /nfs/dbraw/zinc/10/43/11/319104311.db2.gz DWPDSRPDKCBDBW-SNVBAGLBSA-N 1 0 344.209 2.461 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000570463918 319668498 /nfs/dbraw/zinc/66/84/98/319668498.db2.gz IALKNXOVFYJAMY-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580964212 324160642 /nfs/dbraw/zinc/16/06/42/324160642.db2.gz ZHPDNQROBGXRSP-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO COc1ccc(CSCC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582123170 324386070 /nfs/dbraw/zinc/38/60/70/324386070.db2.gz LCXSPYJZWDJEAP-WDEREUQCSA-N 1 0 341.433 2.079 20 5 EEBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862439 465057072 /nfs/dbraw/zinc/05/70/72/465057072.db2.gz JGWFZLPTPCUXOO-ZIAGYGMSSA-N 1 0 326.418 2.349 20 5 EEBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347552038 465088664 /nfs/dbraw/zinc/08/86/64/465088664.db2.gz GGWCYIDQRQJSGB-NSHDSACASA-N 1 0 330.344 2.288 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339122244 465094871 /nfs/dbraw/zinc/09/48/71/465094871.db2.gz BUPQHJMGVJRTSZ-HNNXBMFYSA-N 1 0 336.392 2.169 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000296215389 465119085 /nfs/dbraw/zinc/11/90/85/465119085.db2.gz VWWNUGQTPHUBOT-SNVBAGLBSA-N 1 0 327.356 2.201 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000339428707 465266679 /nfs/dbraw/zinc/26/66/79/465266679.db2.gz UZSVXZJGNVNMBK-KRWDZBQOSA-N 1 0 329.404 2.389 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000358698689 465271619 /nfs/dbraw/zinc/27/16/19/465271619.db2.gz MBDLZUDOKBKFNR-CMPLNLGQSA-N 1 0 341.795 2.226 20 5 EEBDRO Cc1cc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000590554801 468271439 /nfs/dbraw/zinc/27/14/39/468271439.db2.gz FJOVZMMKLQBDHN-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000590555985 468273108 /nfs/dbraw/zinc/27/31/08/468273108.db2.gz VZUUMPRECBEHBD-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298360668 465375013 /nfs/dbraw/zinc/37/50/13/465375013.db2.gz NNZJGISZLNALEQ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590594485 468282440 /nfs/dbraw/zinc/28/24/40/468282440.db2.gz GRMFPXMZXLKKRR-HOTGVXAUSA-N 1 0 330.388 2.381 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045084663 462557656 /nfs/dbraw/zinc/55/76/56/462557656.db2.gz MSUNTRZDKIDZKM-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074326696 462587096 /nfs/dbraw/zinc/58/70/96/462587096.db2.gz FGFDDRXMEMPHPD-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000590690094 468307900 /nfs/dbraw/zinc/30/79/00/468307900.db2.gz QBBJGPGXZLPMTG-NSHDSACASA-N 1 0 341.433 2.141 20 5 EEBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000063618619 462658082 /nfs/dbraw/zinc/65/80/82/462658082.db2.gz KJGLKUHBFPGNAQ-LBPRGKRZSA-N 1 0 335.360 2.382 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115275376 462703591 /nfs/dbraw/zinc/70/35/91/462703591.db2.gz UOKOTEMZLHGMBS-PBHICJAKSA-N 1 0 349.431 2.462 20 5 EEBDRO CC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C)cs1 ZINC000090559109 462796851 /nfs/dbraw/zinc/79/68/51/462796851.db2.gz KZDNCXSNEMMJJD-OAHLLOKOSA-N 1 0 336.417 2.436 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@@H]1CCO ZINC000117340805 462799910 /nfs/dbraw/zinc/79/99/10/462799910.db2.gz AENWXOGBNWOWKV-CYBMUJFWSA-N 1 0 349.387 2.130 20 5 EEBDRO COCc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000131391260 462807714 /nfs/dbraw/zinc/80/77/14/462807714.db2.gz ZFUVGBNAAGXYBO-OAHLLOKOSA-N 1 0 347.371 2.333 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154970778 462829716 /nfs/dbraw/zinc/82/97/16/462829716.db2.gz VSERYMNLWVUBTM-DOMZBBRYSA-N 1 0 333.388 2.160 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066156939 462856334 /nfs/dbraw/zinc/85/63/34/462856334.db2.gz BZBZASFTNYGVNH-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC000132471300 462858427 /nfs/dbraw/zinc/85/84/27/462858427.db2.gz VYZTXJLXDYGFMP-GUYCJALGSA-N 1 0 346.431 2.391 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000091428588 462877649 /nfs/dbraw/zinc/87/76/49/462877649.db2.gz BQLZOKNQFZFYGL-SNVBAGLBSA-N 1 0 329.198 2.283 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000133653022 462955658 /nfs/dbraw/zinc/95/56/58/462955658.db2.gz FIJMYIUHYLETNY-DOTOQJQBSA-N 1 0 331.416 2.388 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000134016137 462995495 /nfs/dbraw/zinc/99/54/95/462995495.db2.gz MPDCTGYFURIQBA-OCCSQVGLSA-N 1 0 343.387 2.101 20 5 EEBDRO CC(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412401 463003135 /nfs/dbraw/zinc/00/31/35/463003135.db2.gz KGEYEBLGJKLGHT-OAHLLOKOSA-N 1 0 335.404 2.212 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000078405125 463113707 /nfs/dbraw/zinc/11/37/07/463113707.db2.gz KMQMXEFYGKWYSF-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000025329389 463119664 /nfs/dbraw/zinc/11/96/64/463119664.db2.gz VHLUCLZSDNDZBU-HNNXBMFYSA-N 1 0 349.412 2.454 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000078659818 463136971 /nfs/dbraw/zinc/13/69/71/463136971.db2.gz VDFXIPXUOLEORI-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000068781368 463174721 /nfs/dbraw/zinc/17/47/21/463174721.db2.gz GINLWYZKPPDWEA-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000029455327 463258582 /nfs/dbraw/zinc/25/85/82/463258582.db2.gz OHEYQQNPQGEGMT-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000160830450 463375101 /nfs/dbraw/zinc/37/51/01/463375101.db2.gz JNKCXZDWQNMDBP-DTWKUNHWSA-N 1 0 342.193 2.357 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151168498 463488183 /nfs/dbraw/zinc/48/81/83/463488183.db2.gz AJLHQHPZYINYST-BQDHKBFISA-N 1 0 333.388 2.469 20 5 EEBDRO CC(C)C[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000041894481 463519038 /nfs/dbraw/zinc/51/90/38/463519038.db2.gz QUWRGKHAIXGSAJ-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000072608829 463525330 /nfs/dbraw/zinc/52/53/30/463525330.db2.gz JQOSKADKSVJFHZ-IAGOWNOFSA-N 1 0 348.378 2.422 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162777302 463536386 /nfs/dbraw/zinc/53/63/86/463536386.db2.gz FLXOQECOONOKCH-AWEZNQCLSA-N 1 0 338.408 2.382 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072725291 463540287 /nfs/dbraw/zinc/54/02/87/463540287.db2.gz JLCDTNFFONLFSI-OAHLLOKOSA-N 1 0 348.447 2.364 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000170686164 463694838 /nfs/dbraw/zinc/69/48/38/463694838.db2.gz MDZKXBNKNBXGNR-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000579540403 468371141 /nfs/dbraw/zinc/37/11/41/468371141.db2.gz SNOQFQICIAHGGF-ZDUSSCGKSA-N 1 0 337.420 2.383 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000177449589 463708131 /nfs/dbraw/zinc/70/81/31/463708131.db2.gz KNVVRAUNMFGACQ-KRWDZBQOSA-N 1 0 349.387 2.117 20 5 EEBDRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000184973612 463727730 /nfs/dbraw/zinc/72/77/30/463727730.db2.gz XFFYOWFMLJKQIT-DGCLKSJQSA-N 1 0 337.401 2.450 20 5 EEBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177553412 463735537 /nfs/dbraw/zinc/73/55/37/463735537.db2.gz WOROAJSMFKRHCM-RRQGHBQHSA-N 1 0 330.388 2.030 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000193875294 463753443 /nfs/dbraw/zinc/75/34/43/463753443.db2.gz MDTVIXGDFCIVPZ-MBNYWOFBSA-N 1 0 349.387 2.243 20 5 EEBDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000261603773 463797528 /nfs/dbraw/zinc/79/75/28/463797528.db2.gz AWIJYJZPQOZIQC-OAHLLOKOSA-N 1 0 329.404 2.037 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261628756 463807553 /nfs/dbraw/zinc/80/75/53/463807553.db2.gz CTBSBMOLRLNRRN-CYBMUJFWSA-N 1 0 335.795 2.128 20 5 EEBDRO COC(=O)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000283246192 463818190 /nfs/dbraw/zinc/81/81/90/463818190.db2.gz JPJOQXARRHAQAE-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268967939 463829945 /nfs/dbraw/zinc/82/99/45/463829945.db2.gz NHQKQINMXWFOMU-HOTGVXAUSA-N 1 0 348.403 2.094 20 5 EEBDRO COc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000194579667 463887045 /nfs/dbraw/zinc/88/70/45/463887045.db2.gz FDUICUKNJVDFNC-UHFFFAOYSA-N 1 0 330.344 2.312 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000277145925 463888985 /nfs/dbraw/zinc/88/89/85/463888985.db2.gz IAXCAPVIBFNTHR-HNNXBMFYSA-N 1 0 344.415 2.492 20 5 EEBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261998747 463921402 /nfs/dbraw/zinc/92/14/02/463921402.db2.gz OQICODXTIQVJFU-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000283571280 463928429 /nfs/dbraw/zinc/92/84/29/463928429.db2.gz VQCGOTRDOXJEPA-GFCCVEGCSA-N 1 0 333.388 2.208 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590971891 468387785 /nfs/dbraw/zinc/38/77/85/468387785.db2.gz UJMRDFNZIHQWLV-CYBMUJFWSA-N 1 0 329.356 2.471 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000179194272 464079041 /nfs/dbraw/zinc/07/90/41/464079041.db2.gz UUIBZCHOEKUWKR-UHFFFAOYSA-N 1 0 341.367 2.251 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279410782 464100509 /nfs/dbraw/zinc/10/05/09/464100509.db2.gz VVPKWGFEFKVODX-LRDDRELGSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802682 464147054 /nfs/dbraw/zinc/14/70/54/464147054.db2.gz DWAOXYSIRGHJOZ-XJKSGUPXSA-N 1 0 332.404 2.092 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000226452702 464184941 /nfs/dbraw/zinc/18/49/41/464184941.db2.gz UXYSHIGKFPFTSO-NSHDSACASA-N 1 0 342.193 2.229 20 5 EEBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000284447983 464195905 /nfs/dbraw/zinc/19/59/05/464195905.db2.gz CJJDYZBAPFFZPV-STQMWFEESA-N 1 0 343.330 2.106 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978309 464218028 /nfs/dbraw/zinc/21/80/28/464218028.db2.gz DBCUIRNVXPPQGS-DZGCQCFKSA-N 1 0 336.388 2.476 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000236898813 464234763 /nfs/dbraw/zinc/23/47/63/464234763.db2.gz SVUFATPAJYOOLL-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000280920298 464275097 /nfs/dbraw/zinc/27/50/97/464275097.db2.gz HEDPYAGRYLFCKV-LLVKDONJSA-N 1 0 342.417 2.221 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000173563229 464284538 /nfs/dbraw/zinc/28/45/38/464284538.db2.gz DIMFQMDDDIZZDB-LBPRGKRZSA-N 1 0 337.424 2.074 20 5 EEBDRO CSc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000281213212 464373736 /nfs/dbraw/zinc/37/37/36/464373736.db2.gz BGQLVRDUQQMEOH-RISCZKNCSA-N 1 0 336.417 2.225 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000237815666 464383804 /nfs/dbraw/zinc/38/38/04/464383804.db2.gz CQNPDQCODLQYKB-UHFFFAOYSA-N 1 0 332.404 2.006 20 5 EEBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000180758861 464387451 /nfs/dbraw/zinc/38/74/51/464387451.db2.gz CHRWRDPUVGZWNK-UHFFFAOYSA-N 1 0 337.424 2.292 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000181217293 464458124 /nfs/dbraw/zinc/45/81/24/464458124.db2.gz DRSBEQILSZGQKB-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO COc1cccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)c1 ZINC000294420913 464494931 /nfs/dbraw/zinc/49/49/31/464494931.db2.gz NEIFUJDEIBDMPY-OAHLLOKOSA-N 1 0 337.420 2.250 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000281756325 464573878 /nfs/dbraw/zinc/57/38/78/464573878.db2.gz YUZYFTRBMXPBAB-CYBMUJFWSA-N 1 0 335.404 2.271 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294769409 464599754 /nfs/dbraw/zinc/59/97/54/464599754.db2.gz ABIUXLCUSHAJAR-LLVKDONJSA-N 1 0 339.367 2.299 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621846 464695062 /nfs/dbraw/zinc/69/50/62/464695062.db2.gz DJMSVMFYYVQMMT-SMDDNHRTSA-N 1 0 330.344 2.249 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170194 464731247 /nfs/dbraw/zinc/73/12/47/464731247.db2.gz RPPITLUZRLEWNY-NXEZZACHSA-N 1 0 337.351 2.098 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285895584 464734166 /nfs/dbraw/zinc/73/41/66/464734166.db2.gz KDEYTRZDLYAKGK-RHSMWYFYSA-N 1 0 349.431 2.289 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282618364 464886656 /nfs/dbraw/zinc/88/66/56/464886656.db2.gz ZPDORDUXIWUMMV-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177067082 464921965 /nfs/dbraw/zinc/92/19/65/464921965.db2.gz MBRCVYNWRXGXTM-OLZOCXBDSA-N 1 0 333.388 2.105 20 5 EEBDRO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000177103124 464930713 /nfs/dbraw/zinc/93/07/13/464930713.db2.gz UPSIYYYBGSDJMI-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286659496 464995464 /nfs/dbraw/zinc/99/54/64/464995464.db2.gz UNLWAOKSFIHRBZ-NEPJUHHUSA-N 1 0 348.321 2.466 20 5 EEBDRO Cc1c(CN(C)CC[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000177381316 465001000 /nfs/dbraw/zinc/00/10/00/465001000.db2.gz PIIPROORTTUNKU-UHFFFAOYSA-N 1 0 334.464 2.361 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273688 465002149 /nfs/dbraw/zinc/00/21/49/465002149.db2.gz VTZLOWZWIKBUAL-WBMJQRKESA-N 1 0 331.416 2.471 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000298760017 465496481 /nfs/dbraw/zinc/49/64/81/465496481.db2.gz ZZCTXJWFFNICHJ-UHFFFAOYSA-N 1 0 330.392 2.421 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000352350717 465519868 /nfs/dbraw/zinc/51/98/68/465519868.db2.gz PIOCDQQBVJZKBI-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EEBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298840188 465520601 /nfs/dbraw/zinc/52/06/01/465520601.db2.gz FSZXZJQQHJERTK-HNNXBMFYSA-N 1 0 328.372 2.490 20 5 EEBDRO Cn1cc(-c2ncc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cn2)cn1 ZINC000366321352 465651241 /nfs/dbraw/zinc/65/12/41/465651241.db2.gz WBNCICGVEYQFOG-UHFFFAOYSA-N 1 0 338.371 2.118 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000299223651 465654139 /nfs/dbraw/zinc/65/41/39/465654139.db2.gz ONUXGASVHANPGU-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO Cn1cc(C[N@H+](C)[C@H]2CCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348545743 465673938 /nfs/dbraw/zinc/67/39/38/465673938.db2.gz LGMMYFRZWXHDMQ-HOTGVXAUSA-N 1 0 330.388 2.341 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330597785 465725032 /nfs/dbraw/zinc/72/50/32/465725032.db2.gz SNOIAUKCNWGAGI-STQMWFEESA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330602357 465726149 /nfs/dbraw/zinc/72/61/49/465726149.db2.gz WMGCVQPAINMGLN-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361064256 465740005 /nfs/dbraw/zinc/74/00/05/465740005.db2.gz BQSLFIOXFLGCBW-BXUZGUMPSA-N 1 0 332.404 2.382 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000371362274 465743686 /nfs/dbraw/zinc/74/36/86/465743686.db2.gz ZAPOEZZAVSVCRL-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871750 465839449 /nfs/dbraw/zinc/83/94/49/465839449.db2.gz RFTNUXQUXAFJAV-YOEHRIQHSA-N 1 0 348.447 2.362 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331026938 465904273 /nfs/dbraw/zinc/90/42/73/465904273.db2.gz BWPBFDPOEMMYIW-ZDUSSCGKSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600109311 468460971 /nfs/dbraw/zinc/46/09/71/468460971.db2.gz YVLBURGEHSXHCM-AWEZNQCLSA-N 1 0 347.415 2.022 20 5 EEBDRO O=c1[nH]cnc2cc(N3CCC[C@@H]([NH+]4CCCC4)C3)c([N+](=O)[O-])cc21 ZINC000301296151 465936634 /nfs/dbraw/zinc/93/66/34/465936634.db2.gz YGFLPPBFDNISBF-GFCCVEGCSA-N 1 0 343.387 2.308 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353514462 465946027 /nfs/dbraw/zinc/94/60/27/465946027.db2.gz GYRGJKLVXUSXIX-RHSMWYFYSA-N 1 0 341.415 2.244 20 5 EEBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000301537221 465981076 /nfs/dbraw/zinc/98/10/76/465981076.db2.gz MFJFAENZRHQYRX-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 ZINC000301668821 466006734 /nfs/dbraw/zinc/00/67/34/466006734.db2.gz PNSZIGPGNHEQDH-CHWSQXEVSA-N 1 0 331.294 2.133 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346244062 466023543 /nfs/dbraw/zinc/02/35/43/466023543.db2.gz ULTBTOXDPACRSE-WOSRLPQWSA-N 1 0 347.415 2.406 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000338521925 466191529 /nfs/dbraw/zinc/19/15/29/466191529.db2.gz AYFNHOSPBBKINE-CYBMUJFWSA-N 1 0 333.388 2.302 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372159254 466193404 /nfs/dbraw/zinc/19/34/04/466193404.db2.gz ZENIBFUMRXXPKN-ZIAGYGMSSA-N 1 0 333.388 2.282 20 5 EEBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2ccccc21 ZINC000367236277 466209533 /nfs/dbraw/zinc/20/95/33/466209533.db2.gz DYFFNZVZTZQYDH-INIZCTEOSA-N 1 0 341.367 2.324 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000555529705 468480713 /nfs/dbraw/zinc/48/07/13/468480713.db2.gz PPCCMQDVTWLZRE-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000363164214 466256884 /nfs/dbraw/zinc/25/68/84/466256884.db2.gz KAGHLJSJKUMLNP-USXIJHARSA-N 1 0 347.415 2.227 20 5 EEBDRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836107 466264863 /nfs/dbraw/zinc/26/48/63/466264863.db2.gz BWPRFPPFKBCCBF-OIISXLGYSA-N 1 0 338.379 2.486 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000357855025 466266413 /nfs/dbraw/zinc/26/64/13/466266413.db2.gz DEOCAUUFGGZCMZ-ABAIWWIYSA-N 1 0 345.403 2.356 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000305429766 466407399 /nfs/dbraw/zinc/40/73/99/466407399.db2.gz DIZRYZPUVVOIGZ-HNNXBMFYSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@H]1COCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000363478143 466427853 /nfs/dbraw/zinc/42/78/53/466427853.db2.gz HMCLSQUMBCEUHF-SNVBAGLBSA-N 1 0 327.768 2.155 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000305743578 466445036 /nfs/dbraw/zinc/44/50/36/466445036.db2.gz UBYNXHAQDGIZGO-QZTJIDSGSA-N 1 0 328.368 2.052 20 5 EEBDRO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305786444 466464998 /nfs/dbraw/zinc/46/49/98/466464998.db2.gz BCTLVVMEWNKJCU-IAOVAPTHSA-N 1 0 347.415 2.183 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000347226065 466492050 /nfs/dbraw/zinc/49/20/50/466492050.db2.gz DGNKPQWQHRCAKK-MNOVXSKESA-N 1 0 341.795 2.083 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000350682466 466575967 /nfs/dbraw/zinc/57/59/67/466575967.db2.gz CBXKUWDWAKKCKE-UHFFFAOYSA-N 1 0 338.371 2.035 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000322579907 466633272 /nfs/dbraw/zinc/63/32/72/466633272.db2.gz RPPBVTNWXBQQRV-NEPJUHHUSA-N 1 0 339.417 2.037 20 5 EEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000325101382 466653558 /nfs/dbraw/zinc/65/35/58/466653558.db2.gz SQINVKOHFXNQRW-GFCCVEGCSA-N 1 0 347.396 2.236 20 5 EEBDRO COC[C@]1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]1 ZINC000423412837 466743254 /nfs/dbraw/zinc/74/32/54/466743254.db2.gz IUIHIHFNDLJFQF-FUHWJXTLSA-N 1 0 333.432 2.274 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411641615 466863104 /nfs/dbraw/zinc/86/31/04/466863104.db2.gz GMCRXGVYXVBZRJ-NSHDSACASA-N 1 0 341.383 2.132 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417717063 466916447 /nfs/dbraw/zinc/91/64/47/466916447.db2.gz MIIZAKLMCBUNPA-KBPBESRZSA-N 1 0 349.435 2.132 20 5 EEBDRO Cc1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354978 467276620 /nfs/dbraw/zinc/27/66/20/467276620.db2.gz MGDAFDJCFAVDEP-KRWDZBQOSA-N 1 0 332.448 2.115 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451882599 467281470 /nfs/dbraw/zinc/28/14/70/467281470.db2.gz DAVXAOHWKLBZHA-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO COc1cc(C[N@H+](CCO)[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433197707 467305256 /nfs/dbraw/zinc/30/52/56/467305256.db2.gz UDNMJRHCHFJABV-ZDUSSCGKSA-N 1 0 326.418 2.293 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420317985 467353962 /nfs/dbraw/zinc/35/39/62/467353962.db2.gz VGEPQIAHYKJJQN-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000429972072 467388163 /nfs/dbraw/zinc/38/81/63/467388163.db2.gz LAHMZAIIYNJPGA-STQMWFEESA-N 1 0 335.404 2.245 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452778401 467422875 /nfs/dbraw/zinc/42/28/75/467422875.db2.gz DQMIANQLDFJBGM-HNNXBMFYSA-N 1 0 349.431 2.097 20 5 EEBDRO [NH3+]CCN(CCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414911852 467447978 /nfs/dbraw/zinc/44/79/78/467447978.db2.gz JCTMFRDYXREVBI-UHFFFAOYSA-N 1 0 349.362 2.279 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414946701 467456175 /nfs/dbraw/zinc/45/61/75/467456175.db2.gz JUZAABHBLUEHFD-QMMMGPOBSA-N 1 0 332.307 2.445 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000453047021 467457361 /nfs/dbraw/zinc/45/73/61/467457361.db2.gz YXKCIWDRQHJJDH-VKJFTORMSA-N 1 0 332.400 2.455 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449208837 467623595 /nfs/dbraw/zinc/62/35/95/467623595.db2.gz OUUSMTNKEGHZRN-CVEARBPZSA-N 1 0 331.416 2.294 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449749168 467707081 /nfs/dbraw/zinc/70/70/81/467707081.db2.gz FDDBATQPRLFXQE-NSHDSACASA-N 1 0 342.193 2.228 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000450253485 467809883 /nfs/dbraw/zinc/80/98/83/467809883.db2.gz OIWCMJXWAWVBCX-KBPBESRZSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518747445 468125067 /nfs/dbraw/zinc/12/50/67/468125067.db2.gz OVDVGLKIFINHLL-LBPRGKRZSA-N 1 0 349.387 2.318 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590403777 468247208 /nfs/dbraw/zinc/24/72/08/468247208.db2.gz NVMBGNWAWOBJHZ-IAQYHMDHSA-N 1 0 332.404 2.334 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000569998486 468575484 /nfs/dbraw/zinc/57/54/84/468575484.db2.gz HDLXOQGZYDBRKA-CQSZACIVSA-N 1 0 335.404 2.129 20 5 EEBDRO CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000591968839 468586332 /nfs/dbraw/zinc/58/63/32/468586332.db2.gz GXTOWSUNUAKQSW-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570103634 468589614 /nfs/dbraw/zinc/58/96/14/468589614.db2.gz ACICNCDACJBRMV-INIZCTEOSA-N 1 0 347.415 2.210 20 5 EEBDRO CCOc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000597587785 468608857 /nfs/dbraw/zinc/60/88/57/468608857.db2.gz XXIIEZRMRGMKRR-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570271325 468613505 /nfs/dbraw/zinc/61/35/05/468613505.db2.gz VFEFYTDWQKHFRG-STQMWFEESA-N 1 0 334.420 2.262 20 5 EEBDRO Cc1nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000582959791 468622268 /nfs/dbraw/zinc/62/22/68/468622268.db2.gz NMWHKHRDKJVKBH-GFCCVEGCSA-N 1 0 337.401 2.198 20 5 EEBDRO CC1([NH3+])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000592331084 468678166 /nfs/dbraw/zinc/67/81/66/468678166.db2.gz GMTDSZFSRUNXBE-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597854995 468694543 /nfs/dbraw/zinc/69/45/43/468694543.db2.gz OSLXLMHIPFJVPA-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO CN(CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000597924918 468712687 /nfs/dbraw/zinc/71/26/87/468712687.db2.gz VDEWMEMOUQBSDJ-CYBMUJFWSA-N 1 0 334.420 2.020 20 5 EEBDRO C[C@H](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597999246 468735284 /nfs/dbraw/zinc/73/52/84/468735284.db2.gz RLNNVYRYCVCCAH-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000559559175 468745835 /nfs/dbraw/zinc/74/58/35/468745835.db2.gz AMNSSXJXLRHTIO-AWEZNQCLSA-N 1 0 334.420 2.467 20 5 EEBDRO CCCN1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097188 468758069 /nfs/dbraw/zinc/75/80/69/468758069.db2.gz RUCFNYYDKIESBW-ZFWWWQNUSA-N 1 0 334.420 2.386 20 5 EEBDRO CCC[N@@H+]1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595097591 468758646 /nfs/dbraw/zinc/75/86/46/468758646.db2.gz YUCIFEOVTWFSHO-DOTOQJQBSA-N 1 0 343.431 2.492 20 5 EEBDRO CCN1CC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000595330595 468814531 /nfs/dbraw/zinc/81/45/31/468814531.db2.gz MNLANDIEOWJGFI-MRXNPFEDSA-N 1 0 333.388 2.059 20 5 EEBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000584227380 468824018 /nfs/dbraw/zinc/82/40/18/468824018.db2.gz OQCPPVLQIVVJPC-QRTARXTBSA-N 1 0 338.404 2.128 20 5 EEBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCCC1 ZINC000593112190 468874793 /nfs/dbraw/zinc/87/47/93/468874793.db2.gz LZDZDVVPYSBTRK-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598558033 468911694 /nfs/dbraw/zinc/91/16/94/468911694.db2.gz BNJLLXLIJOHOMZ-ZDUSSCGKSA-N 1 0 349.435 2.122 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000598619089 468936022 /nfs/dbraw/zinc/93/60/22/468936022.db2.gz ABFMCMBZJGDUFM-GFCCVEGCSA-N 1 0 334.376 2.205 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000562402311 468950975 /nfs/dbraw/zinc/95/09/75/468950975.db2.gz VFEGUCFGVFMSQZ-TUKIKUTGSA-N 1 0 337.445 2.202 20 5 EEBDRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000598665197 468951291 /nfs/dbraw/zinc/95/12/91/468951291.db2.gz MCENVPIPVAVKPK-LBPRGKRZSA-N 1 0 343.387 2.703 20 5 EEBDRO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000562588003 468998218 /nfs/dbraw/zinc/99/82/18/468998218.db2.gz AOIYQDGSKHUKST-QLFBSQMISA-N 1 0 338.404 2.002 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H](c2cccc(F)c2)C1 ZINC000602772778 469064298 /nfs/dbraw/zinc/06/42/98/469064298.db2.gz KEXIJRWMAZIIHH-HNNXBMFYSA-N 1 0 334.351 2.312 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598970079 469071700 /nfs/dbraw/zinc/07/17/00/469071700.db2.gz RJUDDWPIEYOIAN-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO CCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587019730 469084460 /nfs/dbraw/zinc/08/44/60/469084460.db2.gz MTHWNVOUOLFWHK-UHFFFAOYSA-N 1 0 347.419 2.072 20 5 EEBDRO [NH3+]C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000595967261 469100951 /nfs/dbraw/zinc/10/09/51/469100951.db2.gz PYSIUGTYVDJMQA-UHFFFAOYSA-N 1 0 346.431 2.199 20 5 EEBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000562991721 469127271 /nfs/dbraw/zinc/12/72/71/469127271.db2.gz HIRRPUVRQNCXDL-ZQIUZPCESA-N 1 0 338.404 2.128 20 5 EEBDRO NC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596169049 469183932 /nfs/dbraw/zinc/18/39/32/469183932.db2.gz DHYQJKQAVKDWTN-BLLLJJGKSA-N 1 0 344.415 2.147 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309307 469239276 /nfs/dbraw/zinc/23/92/76/469239276.db2.gz YEUSDSYHVFVTQN-NSHDSACASA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444994 469252536 /nfs/dbraw/zinc/25/25/36/469252536.db2.gz YVNLVOGTDMFFNQ-UHFFFAOYSA-N 1 0 344.415 2.344 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCC[N@H+](CC4CC4)C3)c21 ZINC000596570682 469303934 /nfs/dbraw/zinc/30/39/34/469303934.db2.gz MOOHLFGEWANLFY-CQSZACIVSA-N 1 0 341.415 3.072 20 5 EEBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000602435064 469315219 /nfs/dbraw/zinc/31/52/19/469315219.db2.gz SOAMZGCEOUZIFW-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000611825178 469330327 /nfs/dbraw/zinc/33/03/27/469330327.db2.gz VWOVUSPYVGCKOY-ZDUSSCGKSA-N 1 0 334.376 2.209 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673744 469334104 /nfs/dbraw/zinc/33/41/04/469334104.db2.gz SGBDZSIGYLCQGR-JBLDHEPKSA-N 1 0 341.795 2.278 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)n1 ZINC000616008175 469353121 /nfs/dbraw/zinc/35/31/21/469353121.db2.gz WBZRGTXORKYOHO-JKSUJKDBSA-N 1 0 333.436 2.491 20 5 EEBDRO CCC[C@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557576 469359987 /nfs/dbraw/zinc/35/99/87/469359987.db2.gz LEZWXGLQRIUTME-CQSZACIVSA-N 1 0 336.436 2.347 20 5 EEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596822947 469370957 /nfs/dbraw/zinc/37/09/57/469370957.db2.gz IPJGHCDSIWXSMD-OAHLLOKOSA-N 1 0 348.403 2.278 20 5 EEBDRO COC[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602597939 469378479 /nfs/dbraw/zinc/37/84/79/469378479.db2.gz VAKAOPNTGUNRKH-SSDOTTSWSA-N 1 0 339.211 2.170 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596841009 469378890 /nfs/dbraw/zinc/37/88/90/469378890.db2.gz CKQBPDGRVYCYRM-OAHLLOKOSA-N 1 0 348.403 2.278 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000603407792 469382987 /nfs/dbraw/zinc/38/29/87/469382987.db2.gz XBYXREYAYRPKQD-UHFFFAOYSA-N 1 0 336.392 2.034 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603635597 469420589 /nfs/dbraw/zinc/42/05/89/469420589.db2.gz GIBDKSIVBRKNAD-HNNXBMFYSA-N 1 0 342.399 2.328 20 5 EEBDRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609214574 469903023 /nfs/dbraw/zinc/90/30/23/469903023.db2.gz KCTRASDGDJUFDP-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000534636485 485550289 /nfs/dbraw/zinc/55/02/89/485550289.db2.gz GGWBQDPWCKZPLW-HNNXBMFYSA-N 1 0 334.420 2.167 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430595633 485702834 /nfs/dbraw/zinc/70/28/34/485702834.db2.gz VFUVPOYGSRLUFW-CZUORRHYSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000132615729 533870357 /nfs/dbraw/zinc/87/03/57/533870357.db2.gz QGTLKTMUVBZEID-LBPRGKRZSA-N 1 0 349.412 2.136 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179728528 534484785 /nfs/dbraw/zinc/48/47/85/534484785.db2.gz HLKOMDBWYAVDNR-MRXNPFEDSA-N 1 0 343.383 2.297 20 5 EEBDRO Cc1nc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132971465 534486578 /nfs/dbraw/zinc/48/65/78/534486578.db2.gz NEGCHUROCYFOLP-HZPDHXFCSA-N 1 0 334.420 2.478 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000178567162 528268019 /nfs/dbraw/zinc/26/80/19/528268019.db2.gz FXTFIFCPTMOAMV-CQSZACIVSA-N 1 0 346.431 2.252 20 5 EEBDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177867801 529141363 /nfs/dbraw/zinc/14/13/63/529141363.db2.gz KKCVNQOPVVGLLS-HNNXBMFYSA-N 1 0 348.447 2.108 20 5 EEBDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000731678830 577116178 /nfs/dbraw/zinc/11/61/78/577116178.db2.gz RCNPJVMGQQYJPE-OAHLLOKOSA-N 1 0 332.356 2.435 20 5 EEBDRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277115 577456526 /nfs/dbraw/zinc/45/65/26/577456526.db2.gz PGVRDHZLXQSWJQ-QGZVFWFLSA-N 1 0 343.383 2.120 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752813957 577776658 /nfs/dbraw/zinc/77/66/58/577776658.db2.gz VWBKEXNGIABNEK-KGLIPLIRSA-N 1 0 348.403 2.030 20 5 EEBDRO CCN(C(=O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754250640 577803093 /nfs/dbraw/zinc/80/30/93/577803093.db2.gz LFWULZPUTXNDRS-KRWDZBQOSA-N 1 0 343.383 2.271 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000745980588 577920944 /nfs/dbraw/zinc/92/09/44/577920944.db2.gz DIZVUKNGPCTPDO-OLZOCXBDSA-N 1 0 348.359 2.120 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000749675446 577979661 /nfs/dbraw/zinc/97/96/61/577979661.db2.gz ZFAXLXMLANHXSO-IBGZPJMESA-N 1 0 341.411 2.276 20 5 EEBDRO COc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC000821813574 606214266 /nfs/dbraw/zinc/21/42/66/606214266.db2.gz JHHWOQNLFHNWCF-UHFFFAOYSA-N 1 0 346.372 2.135 20 5 EEBDRO CCc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001021995576 676574244 /nfs/dbraw/zinc/57/42/44/676574244.db2.gz JFSIZTZDRKBPTL-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022032078 676597742 /nfs/dbraw/zinc/59/77/42/676597742.db2.gz OXWDTFHFEZQSLA-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001022883289 678712564 /nfs/dbraw/zinc/71/25/64/678712564.db2.gz AFSFHWTXCBRRKF-BETUJISGSA-N 1 0 345.355 2.247 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c(C)o1 ZINC001022884709 678719708 /nfs/dbraw/zinc/71/97/08/678719708.db2.gz PVKVRQZSQQGCIA-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159089975 681718252 /nfs/dbraw/zinc/71/82/52/681718252.db2.gz PABHTEWCCOXDIP-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000894445542 682897983 /nfs/dbraw/zinc/89/79/83/682897983.db2.gz OUKPHWGKWUSXSN-JSGCOSHPSA-N 1 0 335.404 2.368 20 5 EEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262030887 682908540 /nfs/dbraw/zinc/90/85/40/682908540.db2.gz OBLSCQYDMNGKDM-CQSZACIVSA-N 1 0 335.795 2.128 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1O ZINC001019996609 683512836 /nfs/dbraw/zinc/51/28/36/683512836.db2.gz JJMSPKLSBZTYGI-HDJSIYSDSA-N 1 0 341.367 2.351 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000895272536 684421237 /nfs/dbraw/zinc/42/12/37/684421237.db2.gz GOAWBRBYLXZBRD-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896617818 685127745 /nfs/dbraw/zinc/12/77/45/685127745.db2.gz KITFSABQGKMNHF-CQSZACIVSA-N 1 0 327.812 2.449 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000893447899 687608435 /nfs/dbraw/zinc/60/84/35/687608435.db2.gz MJXKZOFJLMVWHC-CQSZACIVSA-N 1 0 340.383 2.270 20 5 EEBDRO O=C(OCc1ccccc1)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905232665 694565778 /nfs/dbraw/zinc/56/57/78/694565778.db2.gz XVXKPSMPIAGXLM-QGZVFWFLSA-N 1 0 328.368 2.380 20 5 EEBDRO C[NH+](C)CCOc1cc(NCc2ccc(=O)[nH]c2)ccc1[N+](=O)[O-] ZINC001168304459 1188271014 /nfs/dbraw/zinc/27/10/14/1188271014.db2.gz DGAXELSFYNFFEP-UHFFFAOYSA-N 1 0 332.360 2.248 20 5 EEBDRO CN(C(=O)c1ccon1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005136918 1194515031 /nfs/dbraw/zinc/51/50/31/1194515031.db2.gz OSVVBFVCYLAVOS-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ncc[nH]1 ZINC001034645134 1196466859 /nfs/dbraw/zinc/46/68/59/1196466859.db2.gz WDTVYAMKXFOWJU-HDJSIYSDSA-N 1 0 343.387 2.149 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cnco1 ZINC001034702413 1196587455 /nfs/dbraw/zinc/58/74/55/1196587455.db2.gz RHKNTILKIKCYSK-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000864932929 1198004921 /nfs/dbraw/zinc/00/49/21/1198004921.db2.gz AHOCWEZENQFEHC-UHFFFAOYSA-N 1 0 335.379 2.267 20 5 EEBDRO Cc1c(C[NH2+][C@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000873022351 1198476821 /nfs/dbraw/zinc/47/68/21/1198476821.db2.gz VYUXZJCWXMBNHE-HNNXBMFYSA-N 1 0 330.388 2.259 20 5 EEBDRO CC(F)(F)C1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001133952451 1199189347 /nfs/dbraw/zinc/18/93/47/1199189347.db2.gz CBPVCFPXMTYLIH-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2c1OCC2 ZINC001134205712 1199386573 /nfs/dbraw/zinc/38/65/73/1199386573.db2.gz WSRMHKKTZTVOJQ-UHFFFAOYSA-N 1 0 347.396 2.111 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876714937 1199736069 /nfs/dbraw/zinc/73/60/69/1199736069.db2.gz GQHIKJZYZSHHMN-QGZVFWFLSA-N 1 0 346.475 2.423 20 5 EEBDRO CSC(C)(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000877334322 1199905424 /nfs/dbraw/zinc/90/54/24/1199905424.db2.gz OEPZXXWYMFADIH-UHFFFAOYSA-N 1 0 346.474 2.490 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[NH+](CC3CC3)CC2)o1 ZINC000877976991 1200193313 /nfs/dbraw/zinc/19/33/13/1200193313.db2.gz TZMQJXMEIBDPPM-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[N@@H+]1C ZINC000878722124 1200639663 /nfs/dbraw/zinc/63/96/63/1200639663.db2.gz AJVYYVCALIQVPI-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO COC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000880041117 1201360772 /nfs/dbraw/zinc/36/07/72/1201360772.db2.gz HAAGDRHUEWVODF-CZUORRHYSA-N 1 0 336.388 2.293 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCC(O)CC1 ZINC000866243934 1201474650 /nfs/dbraw/zinc/47/46/50/1201474650.db2.gz JLJRIZRFTMBKMR-ZDUSSCGKSA-N 1 0 339.411 2.101 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCO[C@H]1CCOC1 ZINC000866281617 1201482664 /nfs/dbraw/zinc/48/26/64/1201482664.db2.gz BDEUKPUBFKEUBP-DOMZBBRYSA-N 1 0 326.368 2.450 20 5 EEBDRO COC1CCN(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866281079 1201482879 /nfs/dbraw/zinc/48/28/79/1201482879.db2.gz FEYBLYSJGIMTSV-ZDUSSCGKSA-N 1 0 339.411 2.365 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCOCC1 ZINC000866298738 1201487935 /nfs/dbraw/zinc/48/79/35/1201487935.db2.gz FFGIBIQYSZMGFZ-BZNIZROVSA-N 1 0 326.368 2.042 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866304856 1201488995 /nfs/dbraw/zinc/48/89/95/1201488995.db2.gz AGGMIIBMSBZCAD-FZMZJTMJSA-N 1 0 338.383 2.058 20 5 EEBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c(=O)n1C ZINC000866349337 1201497822 /nfs/dbraw/zinc/49/78/22/1201497822.db2.gz IPENZRFMKQIWRU-LLVKDONJSA-N 1 0 333.363 2.462 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000129156010 1201733932 /nfs/dbraw/zinc/73/39/32/1201733932.db2.gz MYRVIKIOEZMQFY-BETUJISGSA-N 1 0 348.403 2.277 20 5 EEBDRO C[C@]1([NH3+])CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000868079374 1201739506 /nfs/dbraw/zinc/73/95/06/1201739506.db2.gz WYWQJDYVWRFTCL-ZDUSSCGKSA-N 1 0 329.809 2.290 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868335693 1201793712 /nfs/dbraw/zinc/79/37/12/1201793712.db2.gz NOUNYDUDLDGKKH-WFASDCNBSA-N 1 0 335.379 2.362 20 5 EEBDRO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882628472 1201909345 /nfs/dbraw/zinc/90/93/45/1201909345.db2.gz PUIXMASHLIUTMV-ZDUSSCGKSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882815970 1201949818 /nfs/dbraw/zinc/94/98/18/1201949818.db2.gz VZEVMNLPGBSUAG-UHFFFAOYSA-N 1 0 346.431 2.213 20 5 EEBDRO Cc1nn(CCC(=O)OCCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000800159646 1202214617 /nfs/dbraw/zinc/21/46/17/1202214617.db2.gz VGIJLYNYPBPXKB-UHFFFAOYSA-N 1 0 338.408 2.217 20 5 EEBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886145171 1202477032 /nfs/dbraw/zinc/47/70/32/1202477032.db2.gz QQMGOYATLHWZMS-JSGCOSHPSA-N 1 0 336.392 2.336 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000931261807 1206620199 /nfs/dbraw/zinc/62/01/99/1206620199.db2.gz GLXYGPLSNJPNKL-TXEJJXNPSA-N 1 0 334.376 2.019 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931897834 1207483462 /nfs/dbraw/zinc/48/34/62/1207483462.db2.gz UYJXWYIYHTVXQR-UHFFFAOYSA-N 1 0 344.774 2.137 20 5 EEBDRO COc1cc(C[NH2+][C@H]2COC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000932500987 1207617340 /nfs/dbraw/zinc/61/73/40/1207617340.db2.gz OTSIJSRRWBYGHD-WPRPVWTQSA-N 1 0 332.303 2.329 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000934080177 1207898738 /nfs/dbraw/zinc/89/87/38/1207898738.db2.gz UKURFEMMQVQNAA-INMHGKMJSA-N 1 0 349.456 2.252 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935398387 1208146075 /nfs/dbraw/zinc/14/60/75/1208146075.db2.gz KCFVMHYBFJWFJN-IAGOWNOFSA-N 1 0 329.400 2.467 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779072407 1208491565 /nfs/dbraw/zinc/49/15/65/1208491565.db2.gz KSEMEJKANZRDRY-LLVKDONJSA-N 1 0 345.346 2.041 20 5 EEBDRO Cc1ccc(F)c(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001045437441 1233744831 /nfs/dbraw/zinc/74/48/31/1233744831.db2.gz REMXQHNSDOAFPF-GDBMZVCRSA-N 1 0 349.406 2.270 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001045437609 1233744878 /nfs/dbraw/zinc/74/48/78/1233744878.db2.gz VFJMJGNYRNBGRT-GDBMZVCRSA-N 1 0 349.406 2.270 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096050915 1234089847 /nfs/dbraw/zinc/08/98/47/1234089847.db2.gz SQZRYWLBGYSHHV-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CN(CCC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000901325962 1235549226 /nfs/dbraw/zinc/54/92/26/1235549226.db2.gz AZDPCEXJEQGXBI-UHFFFAOYSA-N 1 0 330.388 2.354 20 5 EEBDRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048643078 1238171230 /nfs/dbraw/zinc/17/12/30/1238171230.db2.gz DVCNQCLVDNHWFL-BETUJISGSA-N 1 0 339.342 2.140 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccon1 ZINC001001208742 1241824733 /nfs/dbraw/zinc/82/47/33/1241824733.db2.gz PUOMDFZWLVLJKL-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cocn1 ZINC001001237703 1241884624 /nfs/dbraw/zinc/88/46/24/1241884624.db2.gz IXNKTCKCYFGPJW-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CCc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001001398498 1242194519 /nfs/dbraw/zinc/19/45/19/1242194519.db2.gz FWLZKSKMMNFKKA-QZTJIDSGSA-N 1 0 345.443 2.242 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325800 1243351758 /nfs/dbraw/zinc/35/17/58/1243351758.db2.gz NAJGEMBADDUFCR-QBPKDAKJSA-N 1 0 335.448 2.417 20 5 EEBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097205589 1243821747 /nfs/dbraw/zinc/82/17/47/1243821747.db2.gz UNELYMMANAUNIS-GASCZTMLSA-N 1 0 334.420 2.386 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001101775655 1246189326 /nfs/dbraw/zinc/18/93/26/1246189326.db2.gz BUQCNKPJZXKJAR-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264414 1247932056 /nfs/dbraw/zinc/93/20/56/1247932056.db2.gz DOMQGVUYOAMNRE-IAGOWNOFSA-N 1 0 329.400 2.084 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@H]1[NH3+] ZINC000850722344 1277311765 /nfs/dbraw/zinc/31/17/65/1277311765.db2.gz QGNQPESMBSCFAB-CJNGLKHVSA-N 1 0 346.431 2.394 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000852726522 1292178346 /nfs/dbraw/zinc/17/83/46/1292178346.db2.gz RFCRNCFRYIBYBF-UHFFFAOYSA-N 1 0 340.351 2.326 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853127798 1292290929 /nfs/dbraw/zinc/29/09/29/1292290929.db2.gz UNDWOFJASBFEDX-JEBQAFNWSA-N 1 0 330.384 2.382 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855287297 1293154716 /nfs/dbraw/zinc/15/47/16/1293154716.db2.gz KYMMGMSZFYJMHB-LLVKDONJSA-N 1 0 336.348 2.106 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095357629 1296818097 /nfs/dbraw/zinc/81/80/97/1296818097.db2.gz QNQGLWKAEIUXHH-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218033538 1297552402 /nfs/dbraw/zinc/55/24/02/1297552402.db2.gz BOXZQXWDTXOYHV-RDDDGLTNSA-N 1 0 348.140 2.186 20 5 EEBDRO COc1cc(O[C@@H]2C[NH2+][C@@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218386934 1297649070 /nfs/dbraw/zinc/64/90/70/1297649070.db2.gz NURUZNDDPSDSAL-XLKFXECMSA-N 1 0 343.335 2.105 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3F)C[C@H]1[N@@H+]2C ZINC001225797370 1301159389 /nfs/dbraw/zinc/15/93/89/1301159389.db2.gz TZIHVTUBEVUEAW-MEDZGJRSSA-N 1 0 338.335 2.280 20 5 EEBDRO CCOCCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226237247 1301315777 /nfs/dbraw/zinc/31/57/77/1301315777.db2.gz VSXAQHCFZZOKNC-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO COCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226268962 1301331132 /nfs/dbraw/zinc/33/11/32/1301331132.db2.gz VRRIERXZSLSOQQ-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3nccc4ccc([N+](=O)[O-])cc43)[C@H]1CC(=O)C2 ZINC001229005933 1302565030 /nfs/dbraw/zinc/56/50/30/1302565030.db2.gz PEFPCJSNTHRCNS-MAZHCROVSA-N 1 0 327.340 2.326 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CCC1 ZINC001111828262 1303958250 /nfs/dbraw/zinc/95/82/50/1303958250.db2.gz YQDQBZODIYLSHX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001120590020 1309629007 /nfs/dbraw/zinc/62/90/07/1309629007.db2.gz JXNVDXPLAFJNMZ-IAGOWNOFSA-N 1 0 334.347 2.265 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3=CCCC3)c2)CC1 ZINC001121159572 1309937706 /nfs/dbraw/zinc/93/77/06/1309937706.db2.gz KHLUNWIQPYQHMA-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CCC3(C[NH2+]C3)CC2)n1 ZINC001248718742 1310928361 /nfs/dbraw/zinc/92/83/61/1310928361.db2.gz ZHOINOOCWHXKNU-UHFFFAOYSA-N 1 0 333.323 2.426 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570895 1314502479 /nfs/dbraw/zinc/50/24/79/1314502479.db2.gz UPJCECQOWQDVCU-SVGFKBNWSA-N 1 0 329.400 2.393 20 5 EEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831749169 1314610191 /nfs/dbraw/zinc/61/01/91/1314610191.db2.gz ARZKGNIRGSNPGL-DGCLKSJQSA-N 1 0 327.768 2.344 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000834452095 1314839329 /nfs/dbraw/zinc/83/93/29/1314839329.db2.gz FQPUUEXPIVMQRM-ZDUSSCGKSA-N 1 0 334.420 2.298 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000837224877 1315062791 /nfs/dbraw/zinc/06/27/91/1315062791.db2.gz GZYNCZFUPHWPOO-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000839727597 1315237822 /nfs/dbraw/zinc/23/78/22/1315237822.db2.gz CKELAYJVNFAVJC-JHJVBQTASA-N 1 0 345.321 2.090 20 5 EEBDRO CCS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841746096 1315608070 /nfs/dbraw/zinc/60/80/70/1315608070.db2.gz CETWOWVUBHCHOR-HNNXBMFYSA-N 1 0 326.418 2.387 20 5 EEBDRO C[C@@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]C1 ZINC000841854550 1315624124 /nfs/dbraw/zinc/62/41/24/1315624124.db2.gz BRBHBSSBZYLTJC-OAHLLOKOSA-N 1 0 340.811 2.437 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856818 1315625343 /nfs/dbraw/zinc/62/53/43/1315625343.db2.gz BITAFLUOAYANTD-VHSXEESVSA-N 1 0 326.784 2.140 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000842478458 1315713212 /nfs/dbraw/zinc/71/32/12/1315713212.db2.gz JCVLPNCOLQDMDX-MNOVXSKESA-N 1 0 340.811 2.103 20 5 EEBDRO Cc1nc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1[C@@H](C)O ZINC000843107574 1315844181 /nfs/dbraw/zinc/84/41/81/1315844181.db2.gz SGQWOYJWSCSORB-PXAZEXFGSA-N 1 0 331.372 2.175 20 5 EEBDRO Cc1cc(Cc2noc(C[C@@H]3CSCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000843191779 1315863251 /nfs/dbraw/zinc/86/32/51/1315863251.db2.gz MRCQJAISFDURCG-GFCCVEGCSA-N 1 0 334.401 2.125 20 5 EEBDRO C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C1CC[NH2+]CC1 ZINC000843192740 1315864023 /nfs/dbraw/zinc/86/40/23/1315864023.db2.gz YIBZDTJDRLPFHD-NSHDSACASA-N 1 0 331.376 2.142 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843289425 1315882415 /nfs/dbraw/zinc/88/24/15/1315882415.db2.gz VCHBBFLZPXLQEN-SNVBAGLBSA-N 1 0 343.786 2.388 20 5 EEBDRO Cn1cc(C(=O)NCCCCCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000843510811 1315926609 /nfs/dbraw/zinc/92/66/09/1315926609.db2.gz YGTOHRPFUTVUSE-UHFFFAOYSA-N 1 0 345.403 2.244 20 5 EEBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001249342071 1317057316 /nfs/dbraw/zinc/05/73/16/1317057316.db2.gz JCWKXIQQQCNQLK-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO CC(C)SCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154795884 1317317536 /nfs/dbraw/zinc/31/75/36/1317317536.db2.gz CSQVIORRSNRHKD-UHFFFAOYSA-N 1 0 325.434 2.332 20 5 EEBDRO C[C@H]1CCCC[C@@H]1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155072663 1317443173 /nfs/dbraw/zinc/44/31/73/1317443173.db2.gz LZKCDAIHFZNYEY-QWHCGFSZSA-N 1 0 334.424 2.033 20 5 EEBDRO [NH3+]CC1CN([C@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001155375700 1317569850 /nfs/dbraw/zinc/56/98/50/1317569850.db2.gz HMOWPMSIWBCJNI-HNNXBMFYSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)nn2)cc1 ZINC001155588412 1317661807 /nfs/dbraw/zinc/66/18/07/1317661807.db2.gz ZSQFWDSBBLYVFL-INWMFGNUSA-N 1 0 325.372 2.462 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c21 ZINC001155833812 1317754761 /nfs/dbraw/zinc/75/47/61/1317754761.db2.gz PNSBMFLUYYKHKC-WMLDXEAASA-N 1 0 343.387 2.251 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)nc1 ZINC001155843457 1317760994 /nfs/dbraw/zinc/76/09/94/1317760994.db2.gz XFJHSDIGNGMCKI-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO Cc1nc(NCc2cccnc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001156000655 1317823341 /nfs/dbraw/zinc/82/33/41/1317823341.db2.gz BQYFHSZLGQZXIT-UHFFFAOYSA-N 1 0 328.376 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccccn3)CC2)cc1 ZINC001254468576 1318081192 /nfs/dbraw/zinc/08/11/92/1318081192.db2.gz NRHHVWWBJPMKPE-SFHVURJKSA-N 1 0 342.399 2.282 20 5 EEBDRO CCN(C(C)=O)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605394 1318142735 /nfs/dbraw/zinc/14/27/35/1318142735.db2.gz BRMZHULBUCLMAZ-GOSISDBHSA-N 1 0 331.416 2.395 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157272357 1318536262 /nfs/dbraw/zinc/53/62/62/1318536262.db2.gz MOFRIPRDGKOTJG-AFDQWNBZSA-N 1 0 331.420 2.053 20 5 EEBDRO CCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157419835 1318624195 /nfs/dbraw/zinc/62/41/95/1318624195.db2.gz NRPAZMJWGFVCQM-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157435928 1318639883 /nfs/dbraw/zinc/63/98/83/1318639883.db2.gz SZLGXRXKMXGAIB-CQSZACIVSA-N 1 0 327.388 2.331 20 5 EEBDRO CCOC(=O)CN(CCC[NH3+])c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001157548528 1318708749 /nfs/dbraw/zinc/70/87/49/1318708749.db2.gz HCNBMFAPPXBOOY-UHFFFAOYSA-N 1 0 346.387 2.170 20 5 EEBDRO CN(CC[N@H+](C)Cc1ccccc1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157554584 1318711281 /nfs/dbraw/zinc/71/12/81/1318711281.db2.gz SPQZQRIZAVUFHR-UHFFFAOYSA-N 1 0 345.359 2.466 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc([N+](=O)[O-])c(N)n1 ZINC001158296696 1319152352 /nfs/dbraw/zinc/15/23/52/1319152352.db2.gz MFUZDSHQXMPBJD-UHFFFAOYSA-N 1 0 341.371 2.334 20 5 EEBDRO CCc1cnccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161502266 1320520075 /nfs/dbraw/zinc/52/00/75/1320520075.db2.gz YWJRHDSFXRPFOX-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CCOC(=O)c1cnc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001162453845 1320860277 /nfs/dbraw/zinc/86/02/77/1320860277.db2.gz MCYSRQXBCDGGBL-RYUDHWBXSA-N 1 0 336.392 2.214 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@@H]3CC[NH2+]C[C@@H]3F)nn2)cc1 ZINC001162809131 1320964856 /nfs/dbraw/zinc/96/48/56/1320964856.db2.gz WQEGZIZCADICAW-JSGCOSHPSA-N 1 0 331.351 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)c2ccncc21 ZINC001163088187 1321031898 /nfs/dbraw/zinc/03/18/98/1321031898.db2.gz AYNPXXCPFRWGOC-GFCCVEGCSA-N 1 0 328.372 2.324 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163285509 1321087629 /nfs/dbraw/zinc/08/76/29/1321087629.db2.gz VKFSZOPAUYXMMB-GUYCJALGSA-N 1 0 335.404 2.482 20 5 EEBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC001163285855 1321088101 /nfs/dbraw/zinc/08/81/01/1321088101.db2.gz WYTTVPWFOMAKBM-BDJLRTHQSA-N 1 0 339.367 2.313 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001163304354 1321092139 /nfs/dbraw/zinc/09/21/39/1321092139.db2.gz IDQNJHRPPJLDQF-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)ccc12 ZINC001163646036 1321180023 /nfs/dbraw/zinc/18/00/23/1321180023.db2.gz JVCKKUDFKAARHN-XJKSGUPXSA-N 1 0 331.376 2.184 20 5 EEBDRO Cc1c(C)n(-c2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163757125 1321210332 /nfs/dbraw/zinc/21/03/32/1321210332.db2.gz PRCCEFTYPPTYPO-UHFFFAOYSA-N 1 0 339.355 2.108 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001163881618 1321238532 /nfs/dbraw/zinc/23/85/32/1321238532.db2.gz OHKKUVHDSBQEOU-UHFFFAOYSA-N 1 0 349.435 2.022 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H](C)CC[C@H]3C[NH3+])c2cc1[N+](=O)[O-] ZINC001164069702 1321284714 /nfs/dbraw/zinc/28/47/14/1321284714.db2.gz KUQOMGRCQHAVIH-QWRGUYRKSA-N 1 0 331.376 2.110 20 5 EEBDRO Cc1ccc(-c2ccc(-n3cnc4c3C[NH2+]CC4)nn2)cc1[N+](=O)[O-] ZINC001164316552 1321349241 /nfs/dbraw/zinc/34/92/41/1321349241.db2.gz LXNCMBFHBUWSOF-UHFFFAOYSA-N 1 0 336.355 2.192 20 5 EEBDRO Cc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165148087 1321465818 /nfs/dbraw/zinc/46/58/18/1321465818.db2.gz HVOVRBSWQXFNAX-GJZGRUSLSA-N 1 0 339.399 2.358 20 5 EEBDRO C[NH+]1C[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C1 ZINC001165152503 1321466458 /nfs/dbraw/zinc/46/64/58/1321466458.db2.gz XZXHQQIHHRWZAX-RKDXNWHRSA-N 1 0 332.738 2.186 20 5 EEBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165297724 1321496209 /nfs/dbraw/zinc/49/62/09/1321496209.db2.gz ICNTVLRTAKVUAQ-LSDHHAIUSA-N 1 0 325.372 2.301 20 5 EEBDRO CCc1cc(N2C[C@@H]3C[C@]3([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165316881 1321499806 /nfs/dbraw/zinc/49/98/06/1321499806.db2.gz SIOVNPIMWSOUGU-SJCJKPOMSA-N 1 0 325.372 2.152 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001166700561 1321769324 /nfs/dbraw/zinc/76/93/24/1321769324.db2.gz JPZUQZZHWZRHMG-ZDUSSCGKSA-N 1 0 336.355 2.233 20 5 EEBDRO [NH3+][C@H]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1(F)F ZINC001166959016 1321825743 /nfs/dbraw/zinc/82/57/43/1321825743.db2.gz PBTVIMPAEHPLOJ-ZDUSSCGKSA-N 1 0 335.314 2.225 20 5 EEBDRO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001263332890 1322462972 /nfs/dbraw/zinc/46/29/72/1322462972.db2.gz BERNTLWJHVQFMS-INIZCTEOSA-N 1 0 334.420 2.387 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC001317990445 1332458056 /nfs/dbraw/zinc/45/80/56/1332458056.db2.gz PECNLDCNRVREOD-CYBMUJFWSA-N 1 0 334.420 2.488 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001322366785 1333254419 /nfs/dbraw/zinc/25/44/19/1333254419.db2.gz YNLVPMDPFSWUON-HOCLYGCPSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC001609113769 1351849768 /nfs/dbraw/zinc/84/97/68/1351849768.db2.gz GUSSURPNLHWWCO-GFCCVEGCSA-N 1 0 345.407 2.309 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001331920678 1335676635 /nfs/dbraw/zinc/67/66/35/1335676635.db2.gz AQJQLCSLSSSAPU-OAHLLOKOSA-N 1 0 349.431 2.298 20 5 EEBDRO Cc1ccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001332231469 1335774581 /nfs/dbraw/zinc/77/45/81/1335774581.db2.gz HJBNBKWRALYVGR-SFHVURJKSA-N 1 0 327.384 2.436 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCOCC2(C)C)c1C ZINC001334748951 1336292036 /nfs/dbraw/zinc/29/20/36/1336292036.db2.gz ZOWLYCJYPLOXPC-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291668 1336677445 /nfs/dbraw/zinc/67/74/45/1336677445.db2.gz YPERXFIHRQWULP-PBHICJAKSA-N 1 0 344.415 2.316 20 5 EEBDRO CC(C)(C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC001341735871 1337297266 /nfs/dbraw/zinc/29/72/66/1337297266.db2.gz DWNROGADHXFXGC-UHFFFAOYSA-N 1 0 331.376 2.164 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000848303192 1338659561 /nfs/dbraw/zinc/65/95/61/1338659561.db2.gz SBHRRTBDGMITDA-UHFFFAOYSA-N 1 0 334.420 2.432 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100707259 1338669358 /nfs/dbraw/zinc/66/93/58/1338669358.db2.gz WKWUXKKQARFWNX-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CC(C)Oc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659643 1338737203 /nfs/dbraw/zinc/73/72/03/1338737203.db2.gz OJBOVNCTEDHQPO-STQMWFEESA-N 1 0 336.392 2.052 20 5 EEBDRO C[C@H](CCc1ccco1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575966806 1343930449 /nfs/dbraw/zinc/93/04/49/1343930449.db2.gz SHRFZFMRFBOKRR-SJKOYZFVSA-N 1 0 331.372 2.499 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001578241630 1344254567 /nfs/dbraw/zinc/25/45/67/1344254567.db2.gz FPJNHNXVEFJHGN-RQJHMYQMSA-N 1 0 348.222 2.289 20 5 EEBDRO COc1cccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1C ZINC001579278022 1344364833 /nfs/dbraw/zinc/36/48/33/1344364833.db2.gz SKYZXGZKTNSFSG-GOSISDBHSA-N 1 0 343.383 2.402 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001579577391 1344396363 /nfs/dbraw/zinc/39/63/63/1344396363.db2.gz RWFQYZFEWCPMKH-UHFFFAOYSA-N 1 0 346.412 2.325 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580262985 1344502948 /nfs/dbraw/zinc/50/29/48/1344502948.db2.gz GBUWEVONTCDXQN-SECBINFHSA-N 1 0 331.294 2.425 20 5 EEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001580811885 1344562350 /nfs/dbraw/zinc/56/23/50/1344562350.db2.gz YAXNUEGZKMVEKK-QPUJVOFHSA-N 1 0 327.743 2.211 20 5 EEBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001580811923 1344562357 /nfs/dbraw/zinc/56/23/57/1344562357.db2.gz ZOUBCQVZJOJQHF-IMTBSYHQSA-N 1 0 348.161 2.475 20 5 EEBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001589981072 1349092085 /nfs/dbraw/zinc/09/20/85/1349092085.db2.gz HRUMMVMAZBHPRU-JTQLQIEISA-N 1 0 333.396 2.163 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590410153 1349310304 /nfs/dbraw/zinc/31/03/04/1349310304.db2.gz NYXLFRMCNXEXLN-NSHDSACASA-N 1 0 333.396 2.226 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590437742 1349324968 /nfs/dbraw/zinc/32/49/68/1349324968.db2.gz QWSGWMALPQOSNT-LBPRGKRZSA-N 1 0 345.407 2.370 20 5 EEBDRO COc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000342790514 1367047603 /nfs/dbraw/zinc/04/76/03/1367047603.db2.gz CNEFBDSHZRELGF-FUNVUKJBSA-N 1 0 333.388 2.301 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000814873898 1367773255 /nfs/dbraw/zinc/77/32/55/1367773255.db2.gz VTNLFNYKRAXVDB-SNVBAGLBSA-N 1 0 341.795 2.423 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564280 1368036437 /nfs/dbraw/zinc/03/64/37/1368036437.db2.gz DUTMFPJRVHDJGQ-FZMZJTMJSA-N 1 0 349.362 2.407 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000815641288 1368054052 /nfs/dbraw/zinc/05/40/52/1368054052.db2.gz UTSHAYPRXGHEMK-GFCCVEGCSA-N 1 0 333.392 2.405 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CCC1 ZINC001111842693 1371268061 /nfs/dbraw/zinc/26/80/61/1371268061.db2.gz SZVULWQWZRAZDI-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001116536244 1371729281 /nfs/dbraw/zinc/72/92/81/1371729281.db2.gz GDQJFGSHJQOMIM-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO CN(C)C(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000831121883 1372364905 /nfs/dbraw/zinc/36/49/05/1372364905.db2.gz WOPFMABEPMWDQP-HNNXBMFYSA-N 1 0 335.404 2.009 20 5 EEBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000831533868 1372378985 /nfs/dbraw/zinc/37/89/85/1372378985.db2.gz LEVODIGUNMABKJ-ABAIWWIYSA-N 1 0 339.367 2.419 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000832377647 1372432878 /nfs/dbraw/zinc/43/28/78/1372432878.db2.gz FDFVYIPJVNZEBL-UHFFFAOYSA-N 1 0 334.420 2.315 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000832495696 1372447882 /nfs/dbraw/zinc/44/78/82/1372447882.db2.gz CZTSLSLHTSHIPX-CHWSQXEVSA-N 1 0 327.331 2.286 20 5 EEBDRO CSc1ccc(C(=O)NCC[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC001343715790 1372960073 /nfs/dbraw/zinc/96/00/73/1372960073.db2.gz XLSRMLZTQPJLGA-NSHDSACASA-N 1 0 341.458 2.142 20 5 EEBDRO CC/C=C(/C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001752844172 1406478736 /nfs/dbraw/zinc/47/87/36/1406478736.db2.gz LAZLUUAZERWLES-UMKFXAJTSA-N 1 0 329.400 2.498 20 5 EEBDRO COCCCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001755527774 1407592288 /nfs/dbraw/zinc/59/22/88/1407592288.db2.gz OGGFCEGWYGCYSD-UHFFFAOYSA-N 1 0 349.431 2.444 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NOC2CC[NH+](C)CC2)cc1Cl ZINC000846650762 790311870 /nfs/dbraw/zinc/31/18/70/790311870.db2.gz DUSULKFCMFMURX-UHFFFAOYSA-N 1 0 327.768 2.312 20 5 EEBDRO O=[N+]([O-])c1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc2[nH]ccc21 ZINC001167207972 757501358 /nfs/dbraw/zinc/50/13/58/757501358.db2.gz IROCVEZPHJSGAW-KUHUBIRLSA-N 1 0 349.394 2.449 20 5 EEBDRO CC(C)n1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001167494276 760034173 /nfs/dbraw/zinc/03/41/73/760034173.db2.gz ARPZQJBFEAPQQP-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000780865246 760260579 /nfs/dbraw/zinc/26/05/79/760260579.db2.gz FLSHXFMFALMDHE-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000781926150 769605277 /nfs/dbraw/zinc/60/52/77/769605277.db2.gz VYCPRVYXKBPUAY-UHFFFAOYSA-N 1 0 335.404 2.352 20 5 EEBDRO CC1(C)CC(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)C1 ZINC000981764574 778159946 /nfs/dbraw/zinc/15/99/46/778159946.db2.gz SVMHKJSJOQQGIN-HUUCEWRRSA-N 1 0 335.448 2.012 20 5 EEBDRO C[C@@H](COc1ccccc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818968453 785363955 /nfs/dbraw/zinc/36/39/55/785363955.db2.gz AWBNQSOQZYOWBK-GOEBONIOSA-N 1 0 346.383 2.392 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819141691 785419997 /nfs/dbraw/zinc/41/99/97/785419997.db2.gz VOMNLZOMMOWIKR-SUMZGMNUSA-N 1 0 340.445 2.298 20 5 EEBDRO CN(C(=O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000819132855 785437062 /nfs/dbraw/zinc/43/70/62/785437062.db2.gz GVNQTZNDAPHLPH-INIZCTEOSA-N 1 0 335.404 2.009 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819190927 785456066 /nfs/dbraw/zinc/45/60/66/785456066.db2.gz MFIUCWIPZJDXBN-MRXNPFEDSA-N 1 0 331.328 2.369 20 5 EEBDRO COc1ccc(COCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819204133 785460250 /nfs/dbraw/zinc/46/02/50/785460250.db2.gz PNDLSIRGKHWRDS-GOSISDBHSA-N 1 0 346.383 2.443 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714972 786434279 /nfs/dbraw/zinc/43/42/79/786434279.db2.gz JTEIPGUPKQTRRD-GJZGRUSLSA-N 1 0 343.387 2.095 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000910286611 786618465 /nfs/dbraw/zinc/61/84/65/786618465.db2.gz HLKVJFNMIPYJNS-CQSZACIVSA-N 1 0 344.415 2.492 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823949973 787986554 /nfs/dbraw/zinc/98/65/54/787986554.db2.gz AGNRFIPMATUQOG-AWEZNQCLSA-N 1 0 335.408 2.419 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112108875 789936193 /nfs/dbraw/zinc/93/61/93/789936193.db2.gz QAHCIDOPYVCBAF-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001146289183 791164246 /nfs/dbraw/zinc/16/42/46/791164246.db2.gz SGCWQDNGKIOSNI-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2c([nH]1)CCCC2 ZINC001146889762 791563236 /nfs/dbraw/zinc/56/32/36/791563236.db2.gz IHIUVNFLZQHITD-UHFFFAOYSA-N 1 0 342.399 2.321 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]3C[NH+]3CCCC3)c2c1 ZINC000172485965 791698764 /nfs/dbraw/zinc/69/87/64/791698764.db2.gz NMJOMAPQFZWYBJ-MRXNPFEDSA-N 1 0 329.404 2.462 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC001093408851 795148564 /nfs/dbraw/zinc/14/85/64/795148564.db2.gz LWQQDBLNWIVUMR-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cc1nc(NCCCNC(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094455180 796265020 /nfs/dbraw/zinc/26/50/20/796265020.db2.gz JFGWJFQMQMWCDX-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CN(C1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@@H]1CCOC1 ZINC001172916973 797148910 /nfs/dbraw/zinc/14/89/10/797148910.db2.gz VBOVTWSWTAIVLC-FUHWJXTLSA-N 1 0 345.443 2.247 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC001173007772 797194712 /nfs/dbraw/zinc/19/47/12/797194712.db2.gz AKYLGVFETQSZNU-CABCVRRESA-N 1 0 341.358 2.345 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1F ZINC001173175344 797276419 /nfs/dbraw/zinc/27/64/19/797276419.db2.gz ALTPDUDQZNRQOL-SDDRHHMPSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)c2ccncc2)c1F ZINC001173182678 797280476 /nfs/dbraw/zinc/28/04/76/797280476.db2.gz JTMATQOVDHIJCR-RISCZKNCSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCc3c(cnn3C)C2)c1F ZINC001173192927 797282490 /nfs/dbraw/zinc/28/24/90/797282490.db2.gz NOZQXVXMYORSJJ-NSHDSACASA-N 1 0 348.378 2.465 20 5 EEBDRO COCCOc1nccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173224094 797307765 /nfs/dbraw/zinc/30/77/65/797307765.db2.gz LSYIVNFKVQJCMJ-ZDUSSCGKSA-N 1 0 346.387 2.131 20 5 EEBDRO Cc1nc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001175521138 798143527 /nfs/dbraw/zinc/14/35/27/798143527.db2.gz HKGMSBIRGBPRGF-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1C ZINC001175659383 798189359 /nfs/dbraw/zinc/18/93/59/798189359.db2.gz NAWOKOMUVPDACF-UHFFFAOYSA-N 1 0 344.415 2.460 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001086093451 802153396 /nfs/dbraw/zinc/15/33/96/802153396.db2.gz QLONDHAELIJNDQ-OTVXOJSOSA-N 1 0 328.372 2.221 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967107 803552550 /nfs/dbraw/zinc/55/25/50/803552550.db2.gz NHLPRDOYXLOHGD-CXAGYDPISA-N 1 0 349.406 2.465 20 5 EEBDRO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998882 803564266 /nfs/dbraw/zinc/56/42/66/803564266.db2.gz QTNIDTBSVCALFD-KLHDSHLOSA-N 1 0 325.453 2.495 20 5 EEBDRO Cc1ccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001168998900 803564582 /nfs/dbraw/zinc/56/45/82/803564582.db2.gz QVKQILWMIYTWJE-JKSUJKDBSA-N 1 0 333.432 2.473 20 5 EEBDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169030248 803577402 /nfs/dbraw/zinc/57/74/02/803577402.db2.gz XHYLNPMNTJIXKJ-NBFUAULTSA-N 1 0 335.448 2.059 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169040260 803583458 /nfs/dbraw/zinc/58/34/58/803583458.db2.gz ZCEUWWBQUIADJI-CJNGLKHVSA-N 1 0 329.404 2.064 20 5 EEBDRO Cc1cc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc(C)n1 ZINC001169048631 803594574 /nfs/dbraw/zinc/59/45/74/803594574.db2.gz AGBYMBCWANCZLN-HOCLYGCPSA-N 1 0 333.436 2.097 20 5 EEBDRO COc1cccnc1N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169057624 803597579 /nfs/dbraw/zinc/59/75/79/803597579.db2.gz WJRWXSCYCCICFP-UKRRQHHQSA-N 1 0 334.420 2.094 20 5 EEBDRO O=C1Nc2ccccc2CN1C1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057867 803598303 /nfs/dbraw/zinc/59/83/03/803598303.db2.gz YJFLNIJBUKIHON-OCCSQVGLSA-N 1 0 330.388 2.164 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nccnc1[N+](=O)[O-] ZINC001169176952 803649975 /nfs/dbraw/zinc/64/99/75/803649975.db2.gz XTAXXROOQPINNG-UHFFFAOYSA-N 1 0 327.344 2.147 20 5 EEBDRO C[C@H]([NH3+])c1ccn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC001169233869 803658552 /nfs/dbraw/zinc/65/85/52/803658552.db2.gz TUJANHVDRJTMGR-JTQLQIEISA-N 1 0 326.316 2.383 20 5 EEBDRO CCOC(=O)C1(Nc2cc(F)cc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC001169492178 803816642 /nfs/dbraw/zinc/81/66/42/803816642.db2.gz POGDLGXQALJRPR-UHFFFAOYSA-N 1 0 339.367 2.482 20 5 EEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000788921492 807762313 /nfs/dbraw/zinc/76/23/13/807762313.db2.gz XELOZZMAWNBCHT-GFCCVEGCSA-N 1 0 349.478 2.301 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(OC)n2)c([N+](=O)[O-])c1 ZINC001170304443 809874547 /nfs/dbraw/zinc/87/45/47/809874547.db2.gz BUXUTPATLDPEAE-NSHDSACASA-N 1 0 332.360 2.123 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170354380 809902989 /nfs/dbraw/zinc/90/29/89/809902989.db2.gz KEUFPOIXEQSFLE-CYBMUJFWSA-N 1 0 347.415 2.279 20 5 EEBDRO Cc1nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000793766553 810503142 /nfs/dbraw/zinc/50/31/42/810503142.db2.gz LRIAOUVTPYCMLM-QGZVFWFLSA-N 1 0 329.404 2.238 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000805754062 811489742 /nfs/dbraw/zinc/48/97/42/811489742.db2.gz ODUVTAWYTIUTKY-SJORKVTESA-N 1 0 329.356 2.177 20 5 EEBDRO CC[NH+]1CCN(C[C@@H](C)CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807930728 812389867 /nfs/dbraw/zinc/38/98/67/812389867.db2.gz VBQGPEKHOFQWHI-AWEZNQCLSA-N 1 0 348.447 2.483 20 5 EEBDRO Cc1noc(C2CC2)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131441437 812832980 /nfs/dbraw/zinc/83/29/80/812832980.db2.gz TTXWBSWJZGYBPA-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001131560656 812970595 /nfs/dbraw/zinc/97/05/95/812970595.db2.gz XPXVBGHVWZIWGL-UHFFFAOYSA-N 1 0 342.399 2.435 20 5 EEBDRO C[C@@H](Nc1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001515990072 1118992789 /nfs/dbraw/zinc/99/27/89/1118992789.db2.gz RBKHNDCIRZFRRG-OTYXRUKQSA-N 1 0 330.791 2.434 20 5 EEBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808806 282117869 /nfs/dbraw/zinc/11/78/69/282117869.db2.gz CITNYVGJKOYIFP-XJKSGUPXSA-N 1 0 327.388 2.477 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000058161991 214487619 /nfs/dbraw/zinc/48/76/19/214487619.db2.gz OUSBVKVUHWAQEP-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155239435 530063892 /nfs/dbraw/zinc/06/38/92/530063892.db2.gz AMBINQFYKMCYML-HOCLYGCPSA-N 1 0 346.431 2.340 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193299185 535194027 /nfs/dbraw/zinc/19/40/27/535194027.db2.gz IZDRRQWFIZCQAN-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C ZINC000183410612 235057188 /nfs/dbraw/zinc/05/71/88/235057188.db2.gz BWFJZZPDHTXHNE-GHMZBOCLSA-N 1 0 331.376 2.315 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[N@H+](C)C1CC1 ZINC000186795777 236023019 /nfs/dbraw/zinc/02/30/19/236023019.db2.gz GBVXTZGYCFNKIS-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ccc(NCCCNC(=O)c2coc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000187860465 236319439 /nfs/dbraw/zinc/31/94/39/236319439.db2.gz BFFRVOCBVWVPTN-UHFFFAOYSA-N 1 0 332.360 2.187 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072860150 216321348 /nfs/dbraw/zinc/32/13/48/216321348.db2.gz WDELXPDVAKOHPJ-AWEZNQCLSA-N 1 0 334.420 2.115 20 5 EEBDRO COC(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000422830967 240251168 /nfs/dbraw/zinc/25/11/68/240251168.db2.gz JDUHMNQGTSNJEW-OAHLLOKOSA-N 1 0 349.387 2.019 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423686512 240570088 /nfs/dbraw/zinc/57/00/88/240570088.db2.gz UEHSDSFHIPQZQF-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424049017 240812454 /nfs/dbraw/zinc/81/24/54/240812454.db2.gz YCEWTIBFXCFKDX-UHFFFAOYSA-N 1 0 344.415 2.182 20 5 EEBDRO Cn1c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)ccc1[N+](=O)[O-] ZINC000423978680 240768806 /nfs/dbraw/zinc/76/88/06/240768806.db2.gz NENJULYMTBIXAY-UHFFFAOYSA-N 1 0 335.389 2.109 20 5 EEBDRO CN(C)c1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000425973651 241193347 /nfs/dbraw/zinc/19/33/47/241193347.db2.gz KNBYESAVRQFTQZ-UHFFFAOYSA-N 1 0 336.421 2.151 20 5 EEBDRO O=C(NCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000447580215 242290656 /nfs/dbraw/zinc/29/06/56/242290656.db2.gz NOQNEPWTTURRIM-HUUCEWRRSA-N 1 0 349.435 2.171 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCC(F)(F)F)n1 ZINC000447536870 242284839 /nfs/dbraw/zinc/28/48/39/242284839.db2.gz QSJNOAJZNMCHSA-WDEREUQCSA-N 1 0 336.314 2.444 20 5 EEBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000451714872 243222109 /nfs/dbraw/zinc/22/21/09/243222109.db2.gz WAYABYRSYXUZGR-OAHLLOKOSA-N 1 0 343.431 2.282 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000262576669 245040816 /nfs/dbraw/zinc/04/08/16/245040816.db2.gz JVTQSOOVLNJQJX-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750006 245235088 /nfs/dbraw/zinc/23/50/88/245235088.db2.gz HFRNLVNQIGWREX-LSDHHAIUSA-N 1 0 333.388 2.389 20 5 EEBDRO NC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000459766086 245242837 /nfs/dbraw/zinc/24/28/37/245242837.db2.gz DSRLVTZMJIQNBP-UHFFFAOYSA-N 1 0 343.427 2.407 20 5 EEBDRO CN(CC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463469775 245346740 /nfs/dbraw/zinc/34/67/40/245346740.db2.gz KVSAYKOLZLRTOZ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000361077452 284262278 /nfs/dbraw/zinc/26/22/78/284262278.db2.gz BJIQKGMBPGYHSM-KBPBESRZSA-N 1 0 329.356 2.459 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493598636 246730176 /nfs/dbraw/zinc/73/01/76/246730176.db2.gz PTKGMKATDRLERV-RTWZZBQXSA-N 1 0 329.400 2.456 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])CC(C)C ZINC000264889781 247012141 /nfs/dbraw/zinc/01/21/41/247012141.db2.gz JLTNWGWZWLQAFQ-LBPRGKRZSA-N 1 0 325.413 2.113 20 5 EEBDRO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266609188 248381425 /nfs/dbraw/zinc/38/14/25/248381425.db2.gz QUQNQRHSLRPDIX-DGCLKSJQSA-N 1 0 338.795 2.499 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000360984413 284645145 /nfs/dbraw/zinc/64/51/45/284645145.db2.gz KESJIMKOGSXSBK-AWEZNQCLSA-N 1 0 339.440 2.057 20 5 EEBDRO CCCN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000093434339 218226080 /nfs/dbraw/zinc/22/60/80/218226080.db2.gz XQVHXBOMLMXPMB-VIFPVBQESA-N 1 0 329.198 2.331 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093898933 218256296 /nfs/dbraw/zinc/25/62/96/218256296.db2.gz CZJCLCNGCOKGTI-VIFPVBQESA-N 1 0 344.209 2.171 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000377645523 285079734 /nfs/dbraw/zinc/07/97/34/285079734.db2.gz TZHOLYUMBDHBFA-NVXWUHKLSA-N 1 0 342.399 2.178 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1SC ZINC000186790830 533132998 /nfs/dbraw/zinc/13/29/98/533132998.db2.gz LAHKVGCDZOJFSF-MWLCHTKSSA-N 1 0 339.417 2.053 20 5 EEBDRO COc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000174704633 533195939 /nfs/dbraw/zinc/19/59/39/533195939.db2.gz DOGXFMASPPKQOK-NVXWUHKLSA-N 1 0 348.403 2.148 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000267460060 256061406 /nfs/dbraw/zinc/06/14/06/256061406.db2.gz UVMCGTPBCNTVBV-WBMJQRKESA-N 1 0 343.387 2.175 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000273264354 256282015 /nfs/dbraw/zinc/28/20/15/256282015.db2.gz FHWDEUFDJACRQJ-NSHDSACASA-N 1 0 347.375 2.016 20 5 EEBDRO C[C@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000273066658 256261975 /nfs/dbraw/zinc/26/19/75/256261975.db2.gz ZRQHEAZTJCQOFN-KRWDZBQOSA-N 1 0 334.420 2.293 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014983 256345966 /nfs/dbraw/zinc/34/59/66/256345966.db2.gz MBVKOZHEGLBEOZ-WOPDTQHZSA-N 1 0 337.376 2.099 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000111646088 142363535 /nfs/dbraw/zinc/36/35/35/142363535.db2.gz KNBOXIZCZZFJAF-UHFFFAOYSA-N 1 0 336.392 2.081 20 5 EEBDRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465206 152167555 /nfs/dbraw/zinc/16/75/55/152167555.db2.gz JTUPCUZEANPHMM-ZDUSSCGKSA-N 1 0 330.392 2.027 20 5 EEBDRO CCC(=O)c1ccc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000359470397 153385469 /nfs/dbraw/zinc/38/54/69/153385469.db2.gz DTEUJLOVPYBUIA-CYBMUJFWSA-N 1 0 334.420 2.235 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)CCC1 ZINC000261738951 160412662 /nfs/dbraw/zinc/41/26/62/160412662.db2.gz KVPHTSSXYKKUFF-UHFFFAOYSA-N 1 0 327.300 2.237 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000081553729 159155677 /nfs/dbraw/zinc/15/56/77/159155677.db2.gz QQIDIFDZFZOUME-MNOVXSKESA-N 1 0 347.375 2.020 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107600646 159333333 /nfs/dbraw/zinc/33/33/33/159333333.db2.gz MNCLQUQLRXZATI-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186768000 160082284 /nfs/dbraw/zinc/08/22/84/160082284.db2.gz YIHGZFFLCPROGB-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000195343564 160211203 /nfs/dbraw/zinc/21/12/03/160211203.db2.gz VITQIAQLGYTPDV-VXGBXAGGSA-N 1 0 325.413 2.031 20 5 EEBDRO C[N@H+](CCc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1)C1CC1 ZINC000342206672 161047666 /nfs/dbraw/zinc/04/76/66/161047666.db2.gz NUQGBVMNWAJPAX-UHFFFAOYSA-N 1 0 329.360 2.207 20 5 EEBDRO CCN1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000342573182 161075127 /nfs/dbraw/zinc/07/51/27/161075127.db2.gz SYBSRFUOYNOKPY-ZJUUUORDSA-N 1 0 347.462 2.068 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343443747 161136682 /nfs/dbraw/zinc/13/66/82/161136682.db2.gz CVEGOAVAEZMEIY-INIZCTEOSA-N 1 0 325.409 2.497 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](F)C[C@@H]3CO)o2)c1 ZINC000346394833 161368962 /nfs/dbraw/zinc/36/89/62/161368962.db2.gz HWZFBZJWXPNUOD-GXTWGEPZSA-N 1 0 335.335 2.197 20 5 EEBDRO COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c(C)c1OC ZINC000347625107 161468264 /nfs/dbraw/zinc/46/82/64/161468264.db2.gz OBJRWTVJRZXKSO-GFCCVEGCSA-N 1 0 334.376 2.468 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000355429114 163186188 /nfs/dbraw/zinc/18/61/88/163186188.db2.gz YUSBIHAHTYTLGP-ZDUSSCGKSA-N 1 0 340.445 2.473 20 5 EEBDRO CSC1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000355459394 163197978 /nfs/dbraw/zinc/19/79/78/163197978.db2.gz UZWYKYUEBAQUDL-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO COc1ccc(C[NH2+]CC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355529498 163222062 /nfs/dbraw/zinc/22/20/62/163222062.db2.gz JYTQBEROEUIUGC-UHFFFAOYSA-N 1 0 341.367 2.235 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699428 164766827 /nfs/dbraw/zinc/76/68/27/164766827.db2.gz OWVNLZAQFLQLRE-UKPHBRMFSA-N 1 0 338.404 2.374 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364062185 165013087 /nfs/dbraw/zinc/01/30/87/165013087.db2.gz QZEQWDIKEFDNQO-KRWDZBQOSA-N 1 0 346.431 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC(F)F ZINC000364293659 165084429 /nfs/dbraw/zinc/08/44/29/165084429.db2.gz ZBLPAYQRVRBRSG-RYUDHWBXSA-N 1 0 343.330 2.471 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000374049699 167010247 /nfs/dbraw/zinc/01/02/47/167010247.db2.gz KVMPJBLPRZHREG-QGZVFWFLSA-N 1 0 348.378 2.171 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000374109508 167019423 /nfs/dbraw/zinc/01/94/23/167019423.db2.gz SFRLTJANUGHSRG-UHFFFAOYSA-N 1 0 331.416 2.472 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000274760995 269050744 /nfs/dbraw/zinc/05/07/44/269050744.db2.gz XLKDVWGZLNTGHY-SNVBAGLBSA-N 1 0 337.376 2.487 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000277308289 269147765 /nfs/dbraw/zinc/14/77/65/269147765.db2.gz UMTMEHOJEOVNSI-HNNXBMFYSA-N 1 0 335.404 2.377 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCCCO ZINC000278876845 269246859 /nfs/dbraw/zinc/24/68/59/269246859.db2.gz MPIFRHRJZQDJDK-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO O=[N+]([O-])c1cncc(Br)c1NCCN1CC=CCC1 ZINC000280162562 269333381 /nfs/dbraw/zinc/33/33/81/269333381.db2.gz GNLFUYIEAZNMOB-UHFFFAOYSA-N 1 0 327.182 2.426 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266130353 274019203 /nfs/dbraw/zinc/01/92/03/274019203.db2.gz BUSYHRWUWFTDPI-UHFFFAOYSA-N 1 0 335.360 2.039 20 5 EEBDRO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554463 274021769 /nfs/dbraw/zinc/02/17/69/274021769.db2.gz ZUGLRXUVAMHHDF-GOEBONIOSA-N 1 0 349.431 2.315 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237200535 274090619 /nfs/dbraw/zinc/09/06/19/274090619.db2.gz HWVMNIPGOCLJDZ-JTQLQIEISA-N 1 0 334.401 2.304 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@]1(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000271184986 274122504 /nfs/dbraw/zinc/12/25/04/274122504.db2.gz IXMNOOSGCPSUMA-KRWDZBQOSA-N 1 0 335.404 2.185 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1[NH+](C)C ZINC000271387633 274127875 /nfs/dbraw/zinc/12/78/75/274127875.db2.gz BXBYATHBJBSWGS-LSDHHAIUSA-N 1 0 348.428 2.194 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000272795983 274182900 /nfs/dbraw/zinc/18/29/00/274182900.db2.gz GYNFRDBNVNSGMK-QWHCGFSZSA-N 1 0 334.376 2.352 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000275390589 274244998 /nfs/dbraw/zinc/24/49/98/274244998.db2.gz BWWKFSCRLXOMEX-WMLDXEAASA-N 1 0 346.387 2.347 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286827254 274910175 /nfs/dbraw/zinc/91/01/75/274910175.db2.gz LALPVWRLTMMASJ-YOEHRIQHSA-N 1 0 346.431 2.400 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000363525400 275017270 /nfs/dbraw/zinc/01/72/70/275017270.db2.gz NYYQCIFYTZGLPW-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579237 275072049 /nfs/dbraw/zinc/07/20/49/275072049.db2.gz XHNNXHFYJBFSLO-QWRGUYRKSA-N 1 0 336.367 2.015 20 5 EEBDRO Cc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000289900649 275159924 /nfs/dbraw/zinc/15/99/24/275159924.db2.gz UHTNXOUIPIBQIU-UHFFFAOYSA-N 1 0 334.464 2.361 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000290150374 275184513 /nfs/dbraw/zinc/18/45/13/275184513.db2.gz CQEQGYUFCMEBQP-OAHLLOKOSA-N 1 0 340.445 2.329 20 5 EEBDRO C[N@H+](CCSc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000290963180 275256019 /nfs/dbraw/zinc/25/60/19/275256019.db2.gz OUISQYBPIBVIPT-UHFFFAOYSA-N 1 0 346.412 2.313 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@@H](C)OC ZINC000291137880 275274495 /nfs/dbraw/zinc/27/44/95/275274495.db2.gz CLFMNNMCAARYHW-GFCCVEGCSA-N 1 0 339.392 2.289 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000291739605 275335362 /nfs/dbraw/zinc/33/53/62/275335362.db2.gz BCTGOPOBTRHWHA-SNVBAGLBSA-N 1 0 338.364 2.270 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072835740 276114791 /nfs/dbraw/zinc/11/47/91/276114791.db2.gz QTZXVGOUNKLLBN-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000154013588 276343486 /nfs/dbraw/zinc/34/34/86/276343486.db2.gz RQKFDYDTVCSBHK-HZPDHXFCSA-N 1 0 347.415 2.473 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517618 277897722 /nfs/dbraw/zinc/89/77/22/277897722.db2.gz OLLLAFJJGMHRCF-KGLIPLIRSA-N 1 0 331.376 2.468 20 5 EEBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374309106 277917850 /nfs/dbraw/zinc/91/78/50/277917850.db2.gz IHDOQMNNHBKJBF-UKRRQHHQSA-N 1 0 336.411 2.196 20 5 EEBDRO COc1cccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000375375984 278016890 /nfs/dbraw/zinc/01/68/90/278016890.db2.gz AQDPELFYYPFEHF-CABCVRRESA-N 1 0 348.447 2.066 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420251288 280357403 /nfs/dbraw/zinc/35/74/03/280357403.db2.gz LHOVWTDOZOBGLG-LLVKDONJSA-N 1 0 345.230 2.386 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427955848 280656227 /nfs/dbraw/zinc/65/62/27/280656227.db2.gz FLEAZZKDNVFUNT-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374314783 280661439 /nfs/dbraw/zinc/66/14/39/280661439.db2.gz XJAWXRMQTZDAOR-CRAIPNDOSA-N 1 0 332.448 2.365 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262725300 289016810 /nfs/dbraw/zinc/01/68/10/289016810.db2.gz GYNIOFBXBSCAPF-QWHCGFSZSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@]([NH3+])(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000447452490 289109907 /nfs/dbraw/zinc/10/99/07/289109907.db2.gz UBXXGXDQHDDHLB-SFHVURJKSA-N 1 0 325.368 2.354 20 5 EEBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000349034010 289145801 /nfs/dbraw/zinc/14/58/01/289145801.db2.gz BTCUUDYOWWWCSC-OAHLLOKOSA-N 1 0 325.384 2.277 20 5 EEBDRO Cn1ncc(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000293035697 293107539 /nfs/dbraw/zinc/10/75/39/293107539.db2.gz ANSVFODJBAQFRG-MRXNPFEDSA-N 1 0 329.404 2.267 20 5 EEBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+](C2CCC2)C1 ZINC000293658122 293263407 /nfs/dbraw/zinc/26/34/07/293263407.db2.gz JAYAIBMFQFABAC-GFCCVEGCSA-N 1 0 332.404 2.123 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000294057056 293359845 /nfs/dbraw/zinc/35/98/45/293359845.db2.gz LVMJOVFXJAERMV-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000298559190 294529045 /nfs/dbraw/zinc/52/90/45/294529045.db2.gz FGHQZBFDGWBSNH-STQMWFEESA-N 1 0 334.420 2.275 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420477173 301198404 /nfs/dbraw/zinc/19/84/04/301198404.db2.gz ZJOJPTVBNZWJAD-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000325068563 303386947 /nfs/dbraw/zinc/38/69/47/303386947.db2.gz BPQBEHCJBVTDMS-GFCCVEGCSA-N 1 0 347.396 2.236 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331867435 311916240 /nfs/dbraw/zinc/91/62/40/311916240.db2.gz OFQLDNGLSNZGQV-FRFSOERESA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344127980 312268566 /nfs/dbraw/zinc/26/85/66/312268566.db2.gz KQOCKHAEDZROOT-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)s1 ZINC000414552548 313040021 /nfs/dbraw/zinc/04/00/21/313040021.db2.gz DEGKWRRNWQSBAC-WBMJQRKESA-N 1 0 348.424 2.498 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000414940532 313113204 /nfs/dbraw/zinc/11/32/04/313113204.db2.gz BRMMCWVWGHVBCR-MRVPVSSYSA-N 1 0 330.291 2.070 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415509652 313137185 /nfs/dbraw/zinc/13/71/85/313137185.db2.gz XAVHQVBIHGNMMA-GRYCIOLGSA-N 1 0 334.376 2.113 20 5 EEBDRO COc1ccc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417195069 313445688 /nfs/dbraw/zinc/44/56/88/313445688.db2.gz RGUJSMAHDIXEHT-CYBMUJFWSA-N 1 0 338.408 2.118 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000417712540 313573819 /nfs/dbraw/zinc/57/38/19/313573819.db2.gz GBRSRFJLTSBHMS-UONOGXRCSA-N 1 0 349.435 2.084 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000420449522 313962081 /nfs/dbraw/zinc/96/20/81/313962081.db2.gz KDOCBISPWYGPRU-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000420947646 314006781 /nfs/dbraw/zinc/00/67/81/314006781.db2.gz UEILNLCKAFEIOO-JSGCOSHPSA-N 1 0 335.404 2.182 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420957502 314009753 /nfs/dbraw/zinc/00/97/53/314009753.db2.gz ZPMGXTGFLMZKIR-NSHDSACASA-N 1 0 333.310 2.421 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421804011 314167811 /nfs/dbraw/zinc/16/78/11/314167811.db2.gz SLESPHKWAMCXDB-UHFFFAOYSA-N 1 0 337.420 2.300 20 5 EEBDRO CCN(CCC[NH+](C)C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000425253161 314366300 /nfs/dbraw/zinc/36/63/00/314366300.db2.gz IUNOLOCVJDTNAU-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCC3CC[NH+](CCO)CC3)ccnc21 ZINC000432337262 314695556 /nfs/dbraw/zinc/69/55/56/314695556.db2.gz APXBRCWVIURVJN-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000441273198 315177727 /nfs/dbraw/zinc/17/77/27/315177727.db2.gz BZNVMYXOOYWXEZ-GOEBONIOSA-N 1 0 332.404 2.462 20 5 EEBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000444767359 315322864 /nfs/dbraw/zinc/32/28/64/315322864.db2.gz RWFMOXZSWGNPIK-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000516762470 316591667 /nfs/dbraw/zinc/59/16/67/316591667.db2.gz AVJXEEKXLDLRBW-ZFWWWQNUSA-N 1 0 344.367 2.100 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000517558142 316674205 /nfs/dbraw/zinc/67/42/05/316674205.db2.gz AVAMNKMQNDZXCP-JSGCOSHPSA-N 1 0 348.330 2.197 20 5 EEBDRO CCOc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000518756328 316743271 /nfs/dbraw/zinc/74/32/71/316743271.db2.gz AHZVKOWXIVVJLM-INIZCTEOSA-N 1 0 339.392 2.105 20 5 EEBDRO CNc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000521203812 316899131 /nfs/dbraw/zinc/89/91/31/316899131.db2.gz WJIRKQALZOELPQ-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)o1 ZINC000523085666 316982272 /nfs/dbraw/zinc/98/22/72/316982272.db2.gz MJBJLWQSQWSKJJ-HNNXBMFYSA-N 1 0 346.387 2.402 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000527038650 317144900 /nfs/dbraw/zinc/14/49/00/317144900.db2.gz NQKHMDGEQCCQHW-LCYFTJDESA-N 1 0 338.429 2.413 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000541348537 318097434 /nfs/dbraw/zinc/09/74/34/318097434.db2.gz BYMSDKYCMXSHDT-FRRDWIJNSA-N 1 0 326.418 2.160 20 5 EEBDRO CCCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547311974 318278030 /nfs/dbraw/zinc/27/80/30/318278030.db2.gz RYXVOKUTVNEOKO-CYBMUJFWSA-N 1 0 343.449 2.432 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000563262431 318990218 /nfs/dbraw/zinc/99/02/18/318990218.db2.gz ZRPGJNVRMJSMIO-GFCCVEGCSA-N 1 0 333.388 2.094 20 5 EEBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000564077127 319065622 /nfs/dbraw/zinc/06/56/22/319065622.db2.gz INJQUSFRFVMDOV-AWEZNQCLSA-N 1 0 344.458 2.244 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cc3ccccc3s2)c1 ZINC000566005332 319234448 /nfs/dbraw/zinc/23/44/48/319234448.db2.gz DQCFNIKOZHSDFL-CQSZACIVSA-N 1 0 346.412 2.199 20 5 EEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000566231240 319262864 /nfs/dbraw/zinc/26/28/64/319262864.db2.gz NUVKWIIMECWHJZ-RNCFNFMXSA-N 1 0 349.309 2.215 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570693997 319689839 /nfs/dbraw/zinc/68/98/39/319689839.db2.gz RTQLAFTUQXVBPG-HUUCEWRRSA-N 1 0 332.404 2.126 20 5 EEBDRO O=C(CC[NH2+]Cc1cn2ccccc2n1)Nc1ccccc1[N+](=O)[O-] ZINC000571353037 319747419 /nfs/dbraw/zinc/74/74/19/319747419.db2.gz MXXVOWGPLBTKOT-UHFFFAOYSA-N 1 0 339.355 2.361 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571402676 319752793 /nfs/dbraw/zinc/75/27/93/319752793.db2.gz WVHASQXKNSOREN-WMLDXEAASA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191397 320004138 /nfs/dbraw/zinc/00/41/38/320004138.db2.gz DKOVZLWZJPHZEJ-ABAIWWIYSA-N 1 0 349.387 2.160 20 5 EEBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000574566925 320036932 /nfs/dbraw/zinc/03/69/32/320036932.db2.gz VAEOORBCOBYBIV-IIAWOOMASA-N 1 0 338.404 2.129 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000576574763 320184124 /nfs/dbraw/zinc/18/41/24/320184124.db2.gz DZQCFFARXYAEPW-DLBZAZTESA-N 1 0 332.404 2.182 20 5 EEBDRO Cc1cc(C[C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000577386587 320253195 /nfs/dbraw/zinc/25/31/95/320253195.db2.gz QIMPOLQEPWQBTM-NSHDSACASA-N 1 0 331.376 2.176 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000577910906 320283534 /nfs/dbraw/zinc/28/35/34/320283534.db2.gz TZMNCHDQCHAESV-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000578246257 320303789 /nfs/dbraw/zinc/30/37/89/320303789.db2.gz MAUMUZVRJKFHTL-NSHDSACASA-N 1 0 325.796 2.247 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000195111750 323506445 /nfs/dbraw/zinc/50/64/45/323506445.db2.gz HKIYTQLVDLQEDN-KRWDZBQOSA-N 1 0 325.368 2.141 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1OC ZINC000579942462 323959796 /nfs/dbraw/zinc/95/97/96/323959796.db2.gz ARVORMRIXALLFI-MRXNPFEDSA-N 1 0 339.392 2.105 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000581911410 324339161 /nfs/dbraw/zinc/33/91/61/324339161.db2.gz SSWODUPLNHDZRJ-CQSZACIVSA-N 1 0 339.392 2.193 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000192818073 465003895 /nfs/dbraw/zinc/00/38/95/465003895.db2.gz TVAKKWQLRKPXFL-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO COCC[N@@H+]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000328170620 465057505 /nfs/dbraw/zinc/05/75/05/465057505.db2.gz JZHBXCTUYUKKOM-NSHDSACASA-N 1 0 344.209 2.490 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000296053135 465065215 /nfs/dbraw/zinc/06/52/15/465065215.db2.gz BBPNGIXXZDTOFQ-LBPRGKRZSA-N 1 0 339.417 2.369 20 5 EEBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000336878572 465073033 /nfs/dbraw/zinc/07/30/33/465073033.db2.gz GLKUJGCWWFTXNB-MRXNPFEDSA-N 1 0 349.412 2.353 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000341279463 465090322 /nfs/dbraw/zinc/09/03/22/465090322.db2.gz JUSCYQXHKALUPW-OAHLLOKOSA-N 1 0 342.399 2.789 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251485 465130028 /nfs/dbraw/zinc/13/00/28/465130028.db2.gz XLBDIOKYURLSKO-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347633310 465137098 /nfs/dbraw/zinc/13/70/98/465137098.db2.gz TWQQRHFWPSOBLK-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347637014 465140060 /nfs/dbraw/zinc/14/00/60/465140060.db2.gz HDZMEVFTCOVDHT-CYBMUJFWSA-N 1 0 346.387 2.474 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590567137 468274112 /nfs/dbraw/zinc/27/41/12/468274112.db2.gz XRCZVXKCEPRYDI-IINYFYTJSA-N 1 0 325.796 2.342 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590602237 468285549 /nfs/dbraw/zinc/28/55/49/468285549.db2.gz YHBJMEQPXRXTQX-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@H]1CC[N@H+](CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048272 468302812 /nfs/dbraw/zinc/30/28/12/468302812.db2.gz MSZQGPGKSODDFY-YOEHRIQHSA-N 1 0 343.431 2.349 20 5 EEBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000127538015 462562848 /nfs/dbraw/zinc/56/28/48/462562848.db2.gz NCVVFRRLJXSEFK-CJNGLKHVSA-N 1 0 331.372 2.423 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000045624669 462602604 /nfs/dbraw/zinc/60/26/04/462602604.db2.gz NUWGNJLWLDSPBY-UHFFFAOYSA-N 1 0 341.371 2.022 20 5 EEBDRO CCC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153168900 462621706 /nfs/dbraw/zinc/62/17/06/462621706.db2.gz XVFMCHKZUODINL-HNNXBMFYSA-N 1 0 335.404 2.308 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000075108607 462676578 /nfs/dbraw/zinc/67/65/78/462676578.db2.gz ZITBOHPGANAXGM-INIZCTEOSA-N 1 0 346.431 2.407 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089912508 462741223 /nfs/dbraw/zinc/74/12/23/462741223.db2.gz XKYVELNUAKRXDU-QGZVFWFLSA-N 1 0 349.431 2.047 20 5 EEBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075768155 462757726 /nfs/dbraw/zinc/75/77/26/462757726.db2.gz IDSNDDFOHSHQMY-RDJZCZTQSA-N 1 0 332.404 2.105 20 5 EEBDRO CCC(CC)(C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000154362981 462758243 /nfs/dbraw/zinc/75/82/43/462758243.db2.gz VFUINQGZEGQWAT-UHFFFAOYSA-N 1 0 334.420 2.009 20 5 EEBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075825893 462761435 /nfs/dbraw/zinc/76/14/35/462761435.db2.gz IKTDYHIXJXVAKJ-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO CO[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117338821 462799878 /nfs/dbraw/zinc/79/98/78/462799878.db2.gz YMDZFYHWISDYOO-CYBMUJFWSA-N 1 0 335.360 2.004 20 5 EEBDRO Cc1c(Br)c(N2C[C@H](C)[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000131386205 462808518 /nfs/dbraw/zinc/80/85/18/462808518.db2.gz YPNKVQXGGCASTB-YUMQZZPRSA-N 1 0 329.198 2.247 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047705554 462816804 /nfs/dbraw/zinc/81/68/04/462816804.db2.gz ZSVGSHAGIBWKMR-UHFFFAOYSA-N 1 0 349.309 2.217 20 5 EEBDRO CC(C)C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000049969514 462980992 /nfs/dbraw/zinc/98/09/92/462980992.db2.gz GBFNVMIQMYCMQC-UHFFFAOYSA-N 1 0 335.404 2.235 20 5 EEBDRO CCc1nn(C)c(NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000092830556 462984824 /nfs/dbraw/zinc/98/48/24/462984824.db2.gz ZSEBSIXZFUOAHX-UHFFFAOYSA-N 1 0 339.440 2.192 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000134278189 463022266 /nfs/dbraw/zinc/02/22/66/463022266.db2.gz AXWWSZYHTGKVPT-IRXDYDNUSA-N 1 0 344.415 2.278 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024239045 463081586 /nfs/dbraw/zinc/08/15/86/463081586.db2.gz PDQMVGAXBLEKFZ-UHFFFAOYSA-N 1 0 327.344 2.344 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157193046 463106797 /nfs/dbraw/zinc/10/67/97/463106797.db2.gz JZQXUIVDZQYERU-LBPRGKRZSA-N 1 0 334.401 2.431 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068264028 463112686 /nfs/dbraw/zinc/11/26/86/463112686.db2.gz UQXSTSHSMFYMBS-CQSZACIVSA-N 1 0 345.403 2.303 20 5 EEBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052932178 463119029 /nfs/dbraw/zinc/11/90/29/463119029.db2.gz DNXMFIFRBCFKAJ-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000157700440 463160809 /nfs/dbraw/zinc/16/08/09/463160809.db2.gz XHJMUZIZWSUDCK-IUODEOHRSA-N 1 0 332.404 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000079387338 463208905 /nfs/dbraw/zinc/20/89/05/463208905.db2.gz OQCWQGXRCUZPBG-SFHVURJKSA-N 1 0 349.431 2.160 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550124 463228591 /nfs/dbraw/zinc/22/85/91/463228591.db2.gz NCGXTJBAKCNCSW-TZMCWYRMSA-N 1 0 334.376 2.352 20 5 EEBDRO CC(C)[NH+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(C)C ZINC000029187113 463246617 /nfs/dbraw/zinc/24/66/17/463246617.db2.gz SRERNHYPYFILNP-UHFFFAOYSA-N 1 0 333.392 2.362 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491319397 468349647 /nfs/dbraw/zinc/34/96/47/468349647.db2.gz JMWSWUKRZZMYPN-ZWXLGZMVSA-N 1 0 333.363 2.490 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000123135251 463319339 /nfs/dbraw/zinc/31/93/39/463319339.db2.gz OWFWQOPKOSSMRR-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000491477828 468358754 /nfs/dbraw/zinc/35/87/54/468358754.db2.gz IBRKHOKURKTOJQ-CSPWOOARSA-N 1 0 333.363 2.444 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000124670738 463449789 /nfs/dbraw/zinc/44/97/89/463449789.db2.gz SJOUDFHSQLSZIK-LBPRGKRZSA-N 1 0 335.389 2.476 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000162377043 463504825 /nfs/dbraw/zinc/50/48/25/463504825.db2.gz RSFXOLMZYPEJQU-QWRGUYRKSA-N 1 0 326.194 2.009 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000072608822 463525170 /nfs/dbraw/zinc/52/51/70/463525170.db2.gz JQOSKADKSVJFHZ-DLBZAZTESA-N 1 0 348.378 2.422 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000072945187 463564759 /nfs/dbraw/zinc/56/47/59/463564759.db2.gz LBWOWSFCWWFSPT-OLZOCXBDSA-N 1 0 334.424 2.058 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000163604013 463599183 /nfs/dbraw/zinc/59/91/83/463599183.db2.gz BBLFVLWFRWSRPM-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000126310492 463624527 /nfs/dbraw/zinc/62/45/27/463624527.db2.gz XLGANZUTTFTVCP-CQSZACIVSA-N 1 0 343.387 2.193 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000126607954 463651518 /nfs/dbraw/zinc/65/15/18/463651518.db2.gz GEFSNJBILZYEBG-CZUORRHYSA-N 1 0 344.415 2.266 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000170712716 463698602 /nfs/dbraw/zinc/69/86/02/463698602.db2.gz DPQYBQKYHMCRES-HNNXBMFYSA-N 1 0 333.388 2.131 20 5 EEBDRO CC[NH+](CC)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268368721 463720220 /nfs/dbraw/zinc/72/02/20/463720220.db2.gz LSWIRIOWJRRSMR-UHFFFAOYSA-N 1 0 328.800 2.389 20 5 EEBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000268478411 463760278 /nfs/dbraw/zinc/76/02/78/463760278.db2.gz ZOTIGASXNDLHGI-UHFFFAOYSA-N 1 0 348.403 2.329 20 5 EEBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000171223694 463818580 /nfs/dbraw/zinc/81/85/80/463818580.db2.gz VFMOXYCVULYGNY-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268963423 463829148 /nfs/dbraw/zinc/82/91/48/463829148.db2.gz LTJIFETVOJMLNA-ZBFHGGJFSA-N 1 0 334.420 2.478 20 5 EEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCCCC1 ZINC000283274969 463830302 /nfs/dbraw/zinc/83/03/02/463830302.db2.gz VYHASMZRQJUFQN-LLVKDONJSA-N 1 0 338.383 2.310 20 5 EEBDRO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2CN1 ZINC000261758726 463851032 /nfs/dbraw/zinc/85/10/32/463851032.db2.gz VOXRYSQBFXGKLR-GFCCVEGCSA-N 1 0 347.396 2.282 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000261852617 463878425 /nfs/dbraw/zinc/87/84/25/463878425.db2.gz QFRNHWSEXFZPNV-CABCVRRESA-N 1 0 349.434 2.350 20 5 EEBDRO C[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000178401177 463893907 /nfs/dbraw/zinc/89/39/07/463893907.db2.gz QBBRRUMWRJSLGJ-LBPRGKRZSA-N 1 0 325.368 2.268 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000178694256 463943886 /nfs/dbraw/zinc/94/38/86/463943886.db2.gz SRQPOCFZEGBTRU-ZDUSSCGKSA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262590218 464034374 /nfs/dbraw/zinc/03/43/74/464034374.db2.gz QZJDTJSOHUTJED-ZYHUDNBSSA-N 1 0 325.796 2.377 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590971758 468387625 /nfs/dbraw/zinc/38/76/25/468387625.db2.gz KTQMOKCXMOIJQS-NUEKZKHPSA-N 1 0 331.416 2.422 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000283973848 464054764 /nfs/dbraw/zinc/05/47/64/464054764.db2.gz MJHBHIFKPZYAJH-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000269684630 464056849 /nfs/dbraw/zinc/05/68/49/464056849.db2.gz ZHLGXTGWGMWICB-HNNXBMFYSA-N 1 0 348.428 2.297 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000279232008 464072103 /nfs/dbraw/zinc/07/21/03/464072103.db2.gz RHYFOBFZQLUMRB-TXEJJXNPSA-N 1 0 335.379 2.032 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805570 464146808 /nfs/dbraw/zinc/14/68/08/464146808.db2.gz WMULTPHRWLAHTK-ZIAGYGMSSA-N 1 0 332.404 2.092 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2)nc1 ZINC000173049804 464183986 /nfs/dbraw/zinc/18/39/86/464183986.db2.gz PASJFKAMXSZNKZ-UHFFFAOYSA-N 1 0 340.383 2.449 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000281009862 464298470 /nfs/dbraw/zinc/29/84/70/464298470.db2.gz LOOZJEHGLCWPFE-HNNXBMFYSA-N 1 0 347.415 2.415 20 5 EEBDRO C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180434968 464310494 /nfs/dbraw/zinc/31/04/94/464310494.db2.gz LQFQDAIFFMYYCV-AWEZNQCLSA-N 1 0 343.383 2.441 20 5 EEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284747458 464321998 /nfs/dbraw/zinc/32/19/98/464321998.db2.gz XFIJYLVMAOFEJQ-GJZGRUSLSA-N 1 0 325.796 2.153 20 5 EEBDRO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188896171 464390631 /nfs/dbraw/zinc/39/06/31/464390631.db2.gz LFDDQBQXPIHKJZ-VFADXPBXSA-N 1 0 333.432 2.385 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264606329 464391702 /nfs/dbraw/zinc/39/17/02/464391702.db2.gz YPFXLKBXKZLVDW-CQSZACIVSA-N 1 0 333.388 2.060 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237892964 464398166 /nfs/dbraw/zinc/39/81/66/464398166.db2.gz LIKOFDWKVDZHMK-JSGCOSHPSA-N 1 0 332.404 2.416 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264633905 464402885 /nfs/dbraw/zinc/40/28/85/464402885.db2.gz VUQWPZPQAUEMFQ-QWHCGFSZSA-N 1 0 334.294 2.361 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000264864812 464496421 /nfs/dbraw/zinc/49/64/21/464496421.db2.gz FSPPFXYXXRMHLD-CQSZACIVSA-N 1 0 339.440 2.054 20 5 EEBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000294706347 464581859 /nfs/dbraw/zinc/58/18/59/464581859.db2.gz VPJZBERTRIZBBQ-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000282016714 464669350 /nfs/dbraw/zinc/66/93/50/464669350.db2.gz RUIYEZQFVSKDHD-NSHDSACASA-N 1 0 325.796 2.378 20 5 EEBDRO CCC(=O)CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294985529 464671995 /nfs/dbraw/zinc/67/19/95/464671995.db2.gz PWAXNJVRNFLEMP-UHFFFAOYSA-N 1 0 333.388 2.112 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000265759255 464675467 /nfs/dbraw/zinc/67/54/67/464675467.db2.gz CUPXCMIPIBVKRJ-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000295159821 464726447 /nfs/dbraw/zinc/72/64/47/464726447.db2.gz QLLRXWPJWDZESS-JSGCOSHPSA-N 1 0 345.399 2.299 20 5 EEBDRO CC(C)[NH+]1CCC(N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000282228045 464743582 /nfs/dbraw/zinc/74/35/82/464743582.db2.gz OTNFKZOBNZDXCF-UHFFFAOYSA-N 1 0 347.463 2.172 20 5 EEBDRO CCCCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295276892 464771548 /nfs/dbraw/zinc/77/15/48/464771548.db2.gz KBYDVCAMZITYGS-GJZGRUSLSA-N 1 0 337.420 2.330 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000286195276 464835996 /nfs/dbraw/zinc/83/59/96/464835996.db2.gz RXYVLIGOUJFGKM-CQSZACIVSA-N 1 0 343.387 2.124 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295483335 464854903 /nfs/dbraw/zinc/85/49/03/464854903.db2.gz ZZZINZAWPUSIMZ-CQSZACIVSA-N 1 0 347.415 2.358 20 5 EEBDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000295488722 464855241 /nfs/dbraw/zinc/85/52/41/464855241.db2.gz GWPRGAVJYMKEFF-OAHLLOKOSA-N 1 0 337.376 2.136 20 5 EEBDRO C[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000183438637 464864990 /nfs/dbraw/zinc/86/49/90/464864990.db2.gz YRBJSSBGRVWHBJ-LLVKDONJSA-N 1 0 349.366 2.234 20 5 EEBDRO CCn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000276292315 464878976 /nfs/dbraw/zinc/87/89/76/464878976.db2.gz ICNJESRYKCKBEK-UHFFFAOYSA-N 1 0 329.404 2.176 20 5 EEBDRO [NH3+]C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000295705543 464935814 /nfs/dbraw/zinc/93/58/14/464935814.db2.gz MPEOKKKHWMJQRF-UHFFFAOYSA-N 1 0 346.309 2.023 20 5 EEBDRO CCOc1cccc(N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000184117618 464951257 /nfs/dbraw/zinc/95/12/57/464951257.db2.gz PAGRDHYOINYMNK-UHFFFAOYSA-N 1 0 337.420 2.277 20 5 EEBDRO CCOc1cc(C[NH2+][C@H]2CCC(=O)NC23CCC3)ccc1[N+](=O)[O-] ZINC000282910833 464997577 /nfs/dbraw/zinc/99/75/77/464997577.db2.gz XSBYFPNPUYQACY-HNNXBMFYSA-N 1 0 333.388 2.284 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000286767812 465022913 /nfs/dbraw/zinc/02/29/13/465022913.db2.gz ZOXQOCQBSVNWTH-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599992578 468430775 /nfs/dbraw/zinc/43/07/75/468430775.db2.gz XDFIYJGWVFLKFJ-VIKVFOODSA-N 1 0 333.388 2.014 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000356453367 465391208 /nfs/dbraw/zinc/39/12/08/465391208.db2.gz CTJMDFLGPVRPNK-CQSZACIVSA-N 1 0 349.435 2.103 20 5 EEBDRO COc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864211 465404801 /nfs/dbraw/zinc/40/48/01/465404801.db2.gz WSIVUOJXFPBPSK-ZJUUUORDSA-N 1 0 345.346 2.374 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000348322659 465549943 /nfs/dbraw/zinc/54/99/43/465549943.db2.gz OFPLYYMQIVEWCW-MNOVXSKESA-N 1 0 347.375 2.015 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000356891860 465605296 /nfs/dbraw/zinc/60/52/96/465605296.db2.gz WNODDYSJFSRQPO-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000339940738 465620651 /nfs/dbraw/zinc/62/06/51/465620651.db2.gz AJQGQUBAFNBXON-CYBMUJFWSA-N 1 0 337.424 2.036 20 5 EEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303291 465700681 /nfs/dbraw/zinc/70/06/81/465700681.db2.gz NYXIGXYYRKUUAI-CRAIPNDOSA-N 1 0 332.448 2.053 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000357018536 465705442 /nfs/dbraw/zinc/70/54/42/465705442.db2.gz ABHHUXKGBNRRRS-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000338062123 465790490 /nfs/dbraw/zinc/79/04/90/465790490.db2.gz GEEPOXNVWICSNL-CJNGLKHVSA-N 1 0 334.420 2.261 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000330822425 465817292 /nfs/dbraw/zinc/81/72/92/465817292.db2.gz UKDXMJUIGJOHNO-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000591352749 468456151 /nfs/dbraw/zinc/45/61/51/468456151.db2.gz DCNBXAWHYMCLMX-UHFFFAOYSA-N 1 0 349.435 2.228 20 5 EEBDRO CN(C(=O)C[N@H+](CCO)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000362579000 465845553 /nfs/dbraw/zinc/84/55/53/465845553.db2.gz GTCSYKNARSJJCW-UHFFFAOYSA-N 1 0 349.431 2.432 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447459 465890953 /nfs/dbraw/zinc/89/09/53/465890953.db2.gz MAMRQADXVNFXTP-IRXDYDNUSA-N 1 0 343.431 2.492 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353453634 465894831 /nfs/dbraw/zinc/89/48/31/465894831.db2.gz FVESBYDMDQNASB-KRWDZBQOSA-N 1 0 343.431 2.493 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301269983 465933178 /nfs/dbraw/zinc/93/31/78/465933178.db2.gz HKVRDEPGLWZRRN-AWEZNQCLSA-N 1 0 338.839 2.464 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361423592 465983122 /nfs/dbraw/zinc/98/31/22/465983122.db2.gz VCZUCJIGCCLZOU-HNNXBMFYSA-N 1 0 336.388 2.244 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287605 465986148 /nfs/dbraw/zinc/98/61/48/465986148.db2.gz BRXGYOFJXQEQOX-VXGBXAGGSA-N 1 0 337.376 2.019 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346256342 466034486 /nfs/dbraw/zinc/03/44/86/466034486.db2.gz IPNXTQVCNIUVFC-SNVBAGLBSA-N 1 0 329.784 2.083 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccccc2)cc1[N+](=O)[O-] ZINC000353760263 466126146 /nfs/dbraw/zinc/12/61/46/466126146.db2.gz QFSQQZQMJDWBSI-UHFFFAOYSA-N 1 0 330.340 2.436 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1(SC)CC[NH+](C)CC1 ZINC000357580506 466150590 /nfs/dbraw/zinc/15/05/90/466150590.db2.gz LGLNAWTUADXUDY-UHFFFAOYSA-N 1 0 327.454 2.359 20 5 EEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362984122 466160494 /nfs/dbraw/zinc/16/04/94/466160494.db2.gz YBUCKXDQGDSMKF-UHFFFAOYSA-N 1 0 340.383 2.250 20 5 EEBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361762280 466265832 /nfs/dbraw/zinc/26/58/32/466265832.db2.gz ASCSEXNIJHDFKI-HRCADAONSA-N 1 0 333.388 2.247 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000357884629 466288620 /nfs/dbraw/zinc/28/86/20/466288620.db2.gz VGEPPCKITKUBRK-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO COc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331912113 466301953 /nfs/dbraw/zinc/30/19/53/466301953.db2.gz IECDFAOUCBJKFO-LBPRGKRZSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[N@H+]1CC=CCC1 ZINC000338713654 466328538 /nfs/dbraw/zinc/32/85/38/466328538.db2.gz UMIYSLFCQZUBKQ-UHFFFAOYSA-N 1 0 346.431 2.101 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000305204211 466377763 /nfs/dbraw/zinc/37/77/63/466377763.db2.gz XFWREHRFUGJWFE-IAGOWNOFSA-N 1 0 329.356 2.177 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000361887592 466380406 /nfs/dbraw/zinc/38/04/06/466380406.db2.gz FQKVPRIAPITZAK-LSDHHAIUSA-N 1 0 348.447 2.362 20 5 EEBDRO C[N@@H+]1CCCC12CCN(c1nc3ccc([N+](=O)[O-])cc3c(=O)[nH]1)CC2 ZINC000367845014 466542980 /nfs/dbraw/zinc/54/29/80/466542980.db2.gz ZKPRIYJNPQHWKU-UHFFFAOYSA-N 1 0 343.387 2.308 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000354421767 466554850 /nfs/dbraw/zinc/55/48/50/466554850.db2.gz GXYQHUBJRKZAJC-NWDGAFQWSA-N 1 0 345.403 2.416 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347317152 466559489 /nfs/dbraw/zinc/55/94/89/466559489.db2.gz IQODZHUXXSFYEA-BBRMVZONSA-N 1 0 345.359 2.274 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808891 466597194 /nfs/dbraw/zinc/59/71/94/466597194.db2.gz VNHYWPXDSMRJGU-SGIREYDYSA-N 1 0 333.388 2.387 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484374 466647318 /nfs/dbraw/zinc/64/73/18/466647318.db2.gz SKCOFWQPHXAJQZ-XYPHTWIQSA-N 1 0 337.395 2.417 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccccc2F)cc1 ZINC000324698127 466649240 /nfs/dbraw/zinc/64/92/40/466649240.db2.gz WULIKHNNDPYSOI-HNNXBMFYSA-N 1 0 334.347 2.306 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000365249141 466757108 /nfs/dbraw/zinc/75/71/08/466757108.db2.gz PNIKUKPGODWIQQ-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411223095 466786251 /nfs/dbraw/zinc/78/62/51/466786251.db2.gz XLBQULOWSIUREC-LBPRGKRZSA-N 1 0 349.387 2.197 20 5 EEBDRO Cn1ccnc1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631707 466888192 /nfs/dbraw/zinc/88/81/92/466888192.db2.gz AFULTYGUKFHVCK-HOCLYGCPSA-N 1 0 330.388 2.241 20 5 EEBDRO Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631706 466888231 /nfs/dbraw/zinc/88/82/31/466888231.db2.gz AFULTYGUKFHVCK-GOEBONIOSA-N 1 0 330.388 2.241 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712513 466915712 /nfs/dbraw/zinc/91/57/12/466915712.db2.gz FXUODNGGZFQSLS-KBPBESRZSA-N 1 0 349.435 2.274 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417759005 466926079 /nfs/dbraw/zinc/92/60/79/466926079.db2.gz CZCQUZPYIMZLRM-HOTGVXAUSA-N 1 0 346.431 2.168 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412163068 467029531 /nfs/dbraw/zinc/02/95/31/467029531.db2.gz CHGLIIJUOIWUOZ-YESZJQIVSA-N 1 0 349.431 2.171 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418718510 467149902 /nfs/dbraw/zinc/14/99/02/467149902.db2.gz KEMUPLGDCFOHRO-DZGCQCFKSA-N 1 0 334.420 2.296 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433282518 467314678 /nfs/dbraw/zinc/31/46/78/467314678.db2.gz BHGXBXIBKMKCLJ-INIZCTEOSA-N 1 0 330.388 2.285 20 5 EEBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000420255306 467330976 /nfs/dbraw/zinc/33/09/76/467330976.db2.gz FQROUAVCOPZBOW-ZFWWWQNUSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452123149 467332837 /nfs/dbraw/zinc/33/28/37/467332837.db2.gz VBSUWBPZKSAHSD-HNNXBMFYSA-N 1 0 334.420 2.256 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284480 467338420 /nfs/dbraw/zinc/33/84/20/467338420.db2.gz OWROEHMMRUSVOZ-HOCLYGCPSA-N 1 0 348.447 2.356 20 5 EEBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000429535234 467342864 /nfs/dbraw/zinc/34/28/64/467342864.db2.gz LMKHHCZQZDPFDN-UHFFFAOYSA-N 1 0 346.387 2.474 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433804199 467354592 /nfs/dbraw/zinc/35/45/92/467354592.db2.gz XVPMDAHUVRWPDT-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652565 467455572 /nfs/dbraw/zinc/45/55/72/467455572.db2.gz NKUZTQYNPHHCPA-GXTWGEPZSA-N 1 0 348.403 2.095 20 5 EEBDRO COc1cc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000400774114 467458858 /nfs/dbraw/zinc/45/88/58/467458858.db2.gz WOXRRPLPWSLRCF-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO COc1cc(C[NH2+]CC2([S@](C)=O)CCC2)c([N+](=O)[O-])cc1OC ZINC000435731686 467491907 /nfs/dbraw/zinc/49/19/07/467491907.db2.gz LEZJXKJHOLFVLR-QHCPKHFHSA-N 1 0 342.417 2.003 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000492721870 467727767 /nfs/dbraw/zinc/72/77/67/467727767.db2.gz LTOJDRVMIKIIQM-QGZVFWFLSA-N 1 0 333.388 2.096 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C[NH+](C)C ZINC000457203883 467776545 /nfs/dbraw/zinc/77/65/45/467776545.db2.gz IZVBQLSJNUCZKQ-SNVBAGLBSA-N 1 0 343.811 2.472 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458294120 467805190 /nfs/dbraw/zinc/80/51/90/467805190.db2.gz VIXHEJWMCYPZNN-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000450303920 467821666 /nfs/dbraw/zinc/82/16/66/467821666.db2.gz KFPRLRBEMHQAHW-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493788805 467983796 /nfs/dbraw/zinc/98/37/96/467983796.db2.gz LNOBLEUDYHKUSX-VOTSOKGWSA-N 1 0 329.360 2.005 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000530939177 468018772 /nfs/dbraw/zinc/01/87/72/468018772.db2.gz PLIHGFHDEQWFTB-UHFFFAOYSA-N 1 0 338.404 2.355 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000591759475 468516269 /nfs/dbraw/zinc/51/62/69/468516269.db2.gz TWSLLNAPRATWIX-DZGCQCFKSA-N 1 0 326.418 2.210 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418818 468579977 /nfs/dbraw/zinc/57/99/77/468579977.db2.gz LVYALHIIRHEHER-RYUDHWBXSA-N 1 0 335.408 2.188 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000597619935 468618451 /nfs/dbraw/zinc/61/84/51/468618451.db2.gz JYVTWMLMYFUNDA-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1C(C)C ZINC000600713906 468629916 /nfs/dbraw/zinc/62/99/16/468629916.db2.gz GETIFHLXFYCKJU-MRXNPFEDSA-N 1 0 334.420 2.162 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 ZINC000600770815 468652337 /nfs/dbraw/zinc/65/23/37/468652337.db2.gz GKBBRMUMYDDLBQ-VIFPVBQESA-N 1 0 346.322 2.120 20 5 EEBDRO CCc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000592368134 468684373 /nfs/dbraw/zinc/68/43/73/468684373.db2.gz SZUIOBXNUPGUJV-HNNXBMFYSA-N 1 0 349.412 2.136 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592485600 468708580 /nfs/dbraw/zinc/70/85/80/468708580.db2.gz IZODOZMCEGKLRZ-ZYHUDNBSSA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592487887 468709929 /nfs/dbraw/zinc/70/99/29/468709929.db2.gz ANCJCRWGZGTLFG-BFHYXJOUSA-N 1 0 334.420 2.289 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000559263662 468733997 /nfs/dbraw/zinc/73/39/97/468733997.db2.gz RHLFNYGVTCDLGV-UHFFFAOYSA-N 1 0 325.796 2.343 20 5 EEBDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595248423 468792930 /nfs/dbraw/zinc/79/29/30/468792930.db2.gz GZSZIALQVFFXHP-QGZVFWFLSA-N 1 0 325.368 2.488 20 5 EEBDRO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000560506814 468822919 /nfs/dbraw/zinc/82/29/19/468822919.db2.gz INKGVCAVGJOIJS-CYBMUJFWSA-N 1 0 332.404 2.221 20 5 EEBDRO Cc1noc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595469140 468864946 /nfs/dbraw/zinc/86/49/46/468864946.db2.gz NFTKOCAOHIRFSJ-IYBDPMFKSA-N 1 0 342.399 2.455 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCCC1 ZINC000593111614 468875176 /nfs/dbraw/zinc/87/51/76/468875176.db2.gz HBCXCLWSJMYZKP-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572107802 468886526 /nfs/dbraw/zinc/88/65/26/468886526.db2.gz UIXREBKSTDXADX-GFCCVEGCSA-N 1 0 342.399 2.470 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595535649 468891778 /nfs/dbraw/zinc/89/17/78/468891778.db2.gz ISCSOPVQRUVHEL-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000598537768 468905642 /nfs/dbraw/zinc/90/56/42/468905642.db2.gz PELDDEAHYASMMB-UHFFFAOYSA-N 1 0 346.431 2.245 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598611374 468932913 /nfs/dbraw/zinc/93/29/13/468932913.db2.gz HODSJWGSDPATEC-GFCCVEGCSA-N 1 0 336.392 2.166 20 5 EEBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CCO ZINC000595695884 468958699 /nfs/dbraw/zinc/95/86/99/468958699.db2.gz IXFGTCMNNZKWNQ-BLLLJJGKSA-N 1 0 336.388 2.444 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000601705293 468975953 /nfs/dbraw/zinc/97/59/53/468975953.db2.gz LCRVDLPQUDWMAD-HIFRSBDPSA-N 1 0 342.399 2.421 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595783359 469007576 /nfs/dbraw/zinc/00/75/76/469007576.db2.gz MXOBDSMJHZPZCH-MRXNPFEDSA-N 1 0 335.404 2.038 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595791918 469012028 /nfs/dbraw/zinc/01/20/28/469012028.db2.gz YCZQMWSRFJDYJQ-RDJZCZTQSA-N 1 0 347.415 2.475 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595806978 469020362 /nfs/dbraw/zinc/02/03/62/469020362.db2.gz NTMILIUDRVLJEG-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595870089 469054657 /nfs/dbraw/zinc/05/46/57/469054657.db2.gz GAYUMLKJLIDAFW-CXAGYDPISA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000602801641 469085673 /nfs/dbraw/zinc/08/56/73/469085673.db2.gz YGKDNOORPDFDFF-UHFFFAOYSA-N 1 0 330.392 2.071 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602803574 469085986 /nfs/dbraw/zinc/08/59/86/469085986.db2.gz CTRDRHKFEWVYGF-QVQLBTGDSA-N 1 0 336.417 2.188 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000573396774 469122350 /nfs/dbraw/zinc/12/23/50/469122350.db2.gz MHBZCYXOFOJMIN-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593764109 469130455 /nfs/dbraw/zinc/13/04/55/469130455.db2.gz WAHOFCBTVUSHLE-WOSRLPQWSA-N 1 0 348.403 2.345 20 5 EEBDRO NC(=O)c1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596055317 469130838 /nfs/dbraw/zinc/13/08/38/469130838.db2.gz WDNMCSFZUCXJET-OAHLLOKOSA-N 1 0 340.383 2.380 20 5 EEBDRO CNc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000563087390 469166769 /nfs/dbraw/zinc/16/67/69/469166769.db2.gz MASJUIWPRCBXLP-UHFFFAOYSA-N 1 0 332.404 2.242 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1OC ZINC000573608205 469170444 /nfs/dbraw/zinc/17/04/44/469170444.db2.gz FZXOLFWCEAAEQD-OUCADQQQSA-N 1 0 326.418 2.469 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611234930 469203456 /nfs/dbraw/zinc/20/34/56/469203456.db2.gz IIFIEWLAZAJIOQ-UHFFFAOYSA-N 1 0 349.435 2.057 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC000596240681 469218401 /nfs/dbraw/zinc/21/84/01/469218401.db2.gz DPETWTDJZOJDJX-GFCCVEGCSA-N 1 0 332.404 2.004 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000596253379 469222509 /nfs/dbraw/zinc/22/25/09/469222509.db2.gz RRVOZIDKWUCTBK-UHFFFAOYSA-N 1 0 325.384 2.311 20 5 EEBDRO Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596315564 469241461 /nfs/dbraw/zinc/24/14/61/469241461.db2.gz XXVRVSVFAJIOMC-UHFFFAOYSA-N 1 0 334.420 2.601 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712258 469307251 /nfs/dbraw/zinc/30/72/51/469307251.db2.gz ZCLGUMVPSQEJMH-LRDDRELGSA-N 1 0 327.388 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000611780463 469321824 /nfs/dbraw/zinc/32/18/24/469321824.db2.gz BYQGITFRBCIEJX-JKSUJKDBSA-N 1 0 339.823 2.279 20 5 EEBDRO CO[C@]1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000602478186 469333536 /nfs/dbraw/zinc/33/35/36/469333536.db2.gz WFZNATDOCKJINP-KRWDZBQOSA-N 1 0 336.388 2.244 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000602568233 469364137 /nfs/dbraw/zinc/36/41/37/469364137.db2.gz KAAFKHWMUMEEFJ-UKRRQHHQSA-N 1 0 345.447 2.173 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602582032 469371869 /nfs/dbraw/zinc/37/18/69/469371869.db2.gz MMIVSYJKVIBGQY-KGLIPLIRSA-N 1 0 334.420 2.363 20 5 EEBDRO C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602582034 469371992 /nfs/dbraw/zinc/37/19/92/469371992.db2.gz MMIVSYJKVIBGQY-ZIAGYGMSSA-N 1 0 334.420 2.363 20 5 EEBDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602595103 469377946 /nfs/dbraw/zinc/37/79/46/469377946.db2.gz WEAWTVQJNSGHMN-LLVKDONJSA-N 1 0 347.337 2.424 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000604489559 469482912 /nfs/dbraw/zinc/48/29/12/469482912.db2.gz JAIONFRLCCPOIS-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO CC[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000616866235 469526117 /nfs/dbraw/zinc/52/61/17/469526117.db2.gz ZLQJSIKRTYCMBT-AWEZNQCLSA-N 1 0 327.768 2.345 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000617239746 469626462 /nfs/dbraw/zinc/62/64/62/469626462.db2.gz BPIBVZDQXWPWIF-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000619871939 469693543 /nfs/dbraw/zinc/69/35/43/469693543.db2.gz NFGYMITZJIVZBH-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000610239873 469991845 /nfs/dbraw/zinc/99/18/45/469991845.db2.gz AMPMWGHHSFBBOJ-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594204671 485603105 /nfs/dbraw/zinc/60/31/05/485603105.db2.gz WMXKGKQVJHIPQQ-HUUCEWRRSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000178167842 534327721 /nfs/dbraw/zinc/32/77/21/534327721.db2.gz SLKFSIKMDWUFAV-INIZCTEOSA-N 1 0 342.399 2.129 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000192496901 534888745 /nfs/dbraw/zinc/88/87/45/534888745.db2.gz PLLFADBONLUTKI-RYUDHWBXSA-N 1 0 326.422 2.231 20 5 EEBDRO C[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266479225 536474187 /nfs/dbraw/zinc/47/41/87/536474187.db2.gz SPIZCJYNIHPYFX-SFHVURJKSA-N 1 0 340.383 2.437 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000174312055 528289328 /nfs/dbraw/zinc/28/93/28/528289328.db2.gz DTBWLKGEQRGHNS-AWEZNQCLSA-N 1 0 337.420 2.398 20 5 EEBDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000181302792 529203636 /nfs/dbraw/zinc/20/36/36/529203636.db2.gz DUDOKAJXLRUGFQ-UKRRQHHQSA-N 1 0 345.403 2.388 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000111352903 535490790 /nfs/dbraw/zinc/49/07/90/535490790.db2.gz BEZWBYXOMAEJPH-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459782276 535946878 /nfs/dbraw/zinc/94/68/78/535946878.db2.gz TVASBDHEXLKLLO-SUHUHFCYSA-N 1 0 337.376 2.088 20 5 EEBDRO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000771780007 577229512 /nfs/dbraw/zinc/22/95/12/577229512.db2.gz IMOQLCPNZNIYCT-GFCCVEGCSA-N 1 0 347.371 2.440 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2COc3ccccc3C2)cc1 ZINC000776280413 577456746 /nfs/dbraw/zinc/45/67/46/577456746.db2.gz ZHSODXHNDXBOSR-GUYCJALGSA-N 1 0 328.368 2.469 20 5 EEBDRO Cc1nccn1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765511051 577502300 /nfs/dbraw/zinc/50/23/00/577502300.db2.gz BGFTUFIPPZDUSC-UHFFFAOYSA-N 1 0 329.404 2.358 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000768806118 577562951 /nfs/dbraw/zinc/56/29/51/577562951.db2.gz WVOWRACGPFAMKX-GHMZBOCLSA-N 1 0 347.462 2.198 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000769939851 577587436 /nfs/dbraw/zinc/58/74/36/577587436.db2.gz AYWUSOIEBINAAH-DOTOQJQBSA-N 1 0 344.415 2.316 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC000770692601 577601900 /nfs/dbraw/zinc/60/19/00/577601900.db2.gz OVHNOMQWIJSNHF-HNNXBMFYSA-N 1 0 342.779 2.450 20 5 EEBDRO Cc1cc(F)cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000758510694 577626046 /nfs/dbraw/zinc/62/60/46/577626046.db2.gz XFUHIEBSZQMAKN-HNNXBMFYSA-N 1 0 341.408 2.209 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H](O)C1CC1 ZINC000764282779 577733763 /nfs/dbraw/zinc/73/37/63/577733763.db2.gz MAICZUSEGOFZCJ-LKFCYVNXSA-N 1 0 341.795 2.278 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000754981645 577817562 /nfs/dbraw/zinc/81/75/62/577817562.db2.gz QJDOEWQJZJLQAI-SSDOTTSWSA-N 1 0 348.172 2.176 20 5 EEBDRO COc1ccccc1OCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749646849 577979397 /nfs/dbraw/zinc/97/93/97/577979397.db2.gz MJJJTADHNXHDSX-HNNXBMFYSA-N 1 0 332.356 2.305 20 5 EEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120323049 674925030 /nfs/dbraw/zinc/92/50/30/674925030.db2.gz VELUNAFVHFZXAA-UHFFFAOYSA-N 1 0 349.478 2.399 20 5 EEBDRO CCc1ncoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020567453 675155068 /nfs/dbraw/zinc/15/50/68/675155068.db2.gz BUJQOGDFKSSPBM-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)(C(F)(F)F)CC1 ZINC000891206168 676172152 /nfs/dbraw/zinc/17/21/52/676172152.db2.gz MSWZRDBKTMEWLS-UHFFFAOYSA-N 1 0 348.325 2.080 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)on1 ZINC001021824773 676505743 /nfs/dbraw/zinc/50/57/43/676505743.db2.gz QOHBZNQKUVBEEH-PHIMTYICSA-N 1 0 336.373 2.003 20 5 EEBDRO O=C(CC1CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021914347 676548046 /nfs/dbraw/zinc/54/80/46/676548046.db2.gz RZUGLATUHPXEIS-IYBDPMFKSA-N 1 0 347.415 2.148 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892840548 683124826 /nfs/dbraw/zinc/12/48/26/683124826.db2.gz PZASTJJIKKJPNC-GXTWGEPZSA-N 1 0 344.415 2.223 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001059685384 688116937 /nfs/dbraw/zinc/11/69/37/688116937.db2.gz ARXDRKKKLMHXMP-OKILXGFUSA-N 1 0 344.415 2.058 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424030200 694525273 /nfs/dbraw/zinc/52/52/73/694525273.db2.gz QNZCJEFIUNZNBE-QGZVFWFLSA-N 1 0 330.388 2.137 20 5 EEBDRO Cn1cccc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989956451 692520382 /nfs/dbraw/zinc/52/03/82/692520382.db2.gz GYMUIIPZCCATLH-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO CC1CC[NH+](CC(=O)N(C)CCN(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001105445880 1187194631 /nfs/dbraw/zinc/19/46/31/1187194631.db2.gz ATUMOEHUZGEJMH-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2F)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168227416 1187398141 /nfs/dbraw/zinc/39/81/41/1187398141.db2.gz RUSWXDMQWPFSJD-KGLIPLIRSA-N 1 0 331.351 2.472 20 5 EEBDRO CN(C(=O)c1ncc[nH]1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005364475 1195282499 /nfs/dbraw/zinc/28/24/99/1195282499.db2.gz FITALKZUBIKXMF-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643321 1196464337 /nfs/dbraw/zinc/46/43/37/1196464337.db2.gz MMKLCVGTOCZIQR-QBPKDAKJSA-N 1 0 331.416 2.177 20 5 EEBDRO CCS(=O)(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872032625 1198031902 /nfs/dbraw/zinc/03/19/02/1198031902.db2.gz WVIMNVVJHAUOQQ-SNVBAGLBSA-N 1 0 332.447 2.402 20 5 EEBDRO Cc1c(C[NH2+]CCC(=O)NCc2cccnc2)cccc1[N+](=O)[O-] ZINC000873025952 1198477317 /nfs/dbraw/zinc/47/73/17/1198477317.db2.gz FWRFHJHIIDNQSZ-UHFFFAOYSA-N 1 0 328.372 2.094 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000873118616 1198504175 /nfs/dbraw/zinc/50/41/75/1198504175.db2.gz NYQNOCJUWXRLGI-UHFFFAOYSA-N 1 0 326.418 2.269 20 5 EEBDRO CC(F)(F)C1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001133952932 1199189520 /nfs/dbraw/zinc/18/95/20/1199189520.db2.gz LOGISOURWUDAQJ-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2n[nH]cc21 ZINC001132179780 1199415154 /nfs/dbraw/zinc/41/51/54/1199415154.db2.gz JGZKZNARYQXWQW-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876550950 1199666230 /nfs/dbraw/zinc/66/62/30/1199666230.db2.gz IRAUUJNWQBTCPR-MRXNPFEDSA-N 1 0 334.420 2.007 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825909826 1199774548 /nfs/dbraw/zinc/77/45/48/1199774548.db2.gz JUSPVKQMEGWGRT-GDBMZVCRSA-N 1 0 335.404 2.009 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246830 1199887627 /nfs/dbraw/zinc/88/76/27/1199887627.db2.gz QZCYRHWRXDXTST-CLLJXQQHSA-N 1 0 333.388 2.254 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000877796405 1200113548 /nfs/dbraw/zinc/11/35/48/1200113548.db2.gz FYCKGIQJGHUTRO-AWEZNQCLSA-N 1 0 336.388 2.444 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879962924 1201327575 /nfs/dbraw/zinc/32/75/75/1201327575.db2.gz RTOXWBJICZEBTA-ZDUSSCGKSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000866261699 1201478981 /nfs/dbraw/zinc/47/89/81/1201478981.db2.gz YUHSSYLBDWWTTA-MGPQQGTHSA-N 1 0 339.411 2.364 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000866261442 1201479192 /nfs/dbraw/zinc/47/91/92/1201479192.db2.gz TWIGDAVPOLVMIX-KCXAZCMYSA-N 1 0 337.395 2.118 20 5 EEBDRO CCSCC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945133 1201711537 /nfs/dbraw/zinc/71/15/37/1201711537.db2.gz RKCBALDNRZUDPT-ABAIWWIYSA-N 1 0 325.434 2.417 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000129103227 1201722534 /nfs/dbraw/zinc/72/25/34/1201722534.db2.gz XDKGWAISJFIZTQ-GASCZTMLSA-N 1 0 337.420 2.015 20 5 EEBDRO Cc1ccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000867995338 1201722606 /nfs/dbraw/zinc/72/26/06/1201722606.db2.gz AEASBYTVUZCKCU-LJQANCHMSA-N 1 0 339.395 2.451 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000869210501 1201965211 /nfs/dbraw/zinc/96/52/11/1201965211.db2.gz SGDBEWNHUSJSHW-GJZGRUSLSA-N 1 0 335.379 2.410 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838643 1204723763 /nfs/dbraw/zinc/72/37/63/1204723763.db2.gz MVGLXYKRRPGTPD-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930369124 1206552928 /nfs/dbraw/zinc/55/29/28/1206552928.db2.gz YMZXLCVBZKCRMZ-JCURWCKSSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@@H]1CC2(C[N@@H+]1CC[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000930762748 1206580979 /nfs/dbraw/zinc/58/09/79/1206580979.db2.gz JYLDIHXMORJEAG-CYBMUJFWSA-N 1 0 327.425 2.375 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932382246 1207594274 /nfs/dbraw/zinc/59/42/74/1207594274.db2.gz IAPJQPAEVQUZDQ-KBXCAEBGSA-N 1 0 343.383 2.470 20 5 EEBDRO CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932440638 1207606906 /nfs/dbraw/zinc/60/69/06/1207606906.db2.gz NTQDBVLTMHGRGC-LSDHHAIUSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934699042 1208011597 /nfs/dbraw/zinc/01/15/97/1208011597.db2.gz SDBORNMOASTWEW-MAUKXSAKSA-N 1 0 343.383 2.470 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000778289047 1208070290 /nfs/dbraw/zinc/07/02/90/1208070290.db2.gz JPPNEPCNYFPVAN-PWSUYJOCSA-N 1 0 327.331 2.286 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001111311332 1210133443 /nfs/dbraw/zinc/13/34/43/1210133443.db2.gz YZQWUNSFRNQVGK-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001020046797 1229457260 /nfs/dbraw/zinc/45/72/60/1229457260.db2.gz PVROFGSXGGCVPX-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020055239 1229462564 /nfs/dbraw/zinc/46/25/64/1229462564.db2.gz JQCZNZNXZHQBJM-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119885313 1229623256 /nfs/dbraw/zinc/62/32/56/1229623256.db2.gz BFLNRVHSQNTBQI-NSHDSACASA-N 1 0 347.462 2.009 20 5 EEBDRO CC(C)=CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048664177 1238229905 /nfs/dbraw/zinc/22/99/05/1238229905.db2.gz UQIYYOSEAPXAEG-IYBDPMFKSA-N 1 0 329.400 2.451 20 5 EEBDRO CSCC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050424131 1243568674 /nfs/dbraw/zinc/56/86/74/1243568674.db2.gz KRSLJHOGNAQWDG-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC001097077849 1243674433 /nfs/dbraw/zinc/67/44/33/1243674433.db2.gz CKZKEXDYTKJOCV-JOCQHMNTSA-N 1 0 349.435 2.088 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001050519151 1243772818 /nfs/dbraw/zinc/77/28/18/1243772818.db2.gz HEEKPUFTUHNDBG-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097244960 1243872713 /nfs/dbraw/zinc/87/27/13/1243872713.db2.gz UFNMUWRNHXOSCH-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC001097256108 1243881104 /nfs/dbraw/zinc/88/11/04/1243881104.db2.gz WJYNVDIYEDZQAL-BETUJISGSA-N 1 0 349.435 2.027 20 5 EEBDRO CC(C)(CCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[N+](=O)[O-] ZINC000826890331 1248103318 /nfs/dbraw/zinc/10/33/18/1248103318.db2.gz MZQSMONTUMWYJF-UHFFFAOYSA-N 1 0 349.431 2.417 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001199847988 1285856749 /nfs/dbraw/zinc/85/67/49/1285856749.db2.gz RMEZXYPYXRDIHQ-YVMONPNESA-N 1 0 349.435 2.011 20 5 EEBDRO CC1(C)OC[C@H](CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843478 1291879976 /nfs/dbraw/zinc/87/99/76/1291879976.db2.gz IEAGTEJACWLYSU-JSGCOSHPSA-N 1 0 336.392 2.018 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000853502864 1292404381 /nfs/dbraw/zinc/40/43/81/1292404381.db2.gz AGUUQGJCFVPAKI-UONOGXRCSA-N 1 0 343.387 2.169 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855899234 1293360435 /nfs/dbraw/zinc/36/04/35/1293360435.db2.gz JDXGBJFWRGQDCB-NSHDSACASA-N 1 0 338.383 2.166 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855899233 1293360522 /nfs/dbraw/zinc/36/05/22/1293360522.db2.gz JDXGBJFWRGQDCB-LLVKDONJSA-N 1 0 338.383 2.166 20 5 EEBDRO C[C@]1(O)CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000794666060 1296506454 /nfs/dbraw/zinc/50/64/54/1296506454.db2.gz IUUSTUVUDNWNSA-INIZCTEOSA-N 1 0 331.376 2.048 20 5 EEBDRO Cn1cncc1C[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218978967 1297888765 /nfs/dbraw/zinc/88/87/65/1297888765.db2.gz GOSTUWJIWYZXPQ-HNNXBMFYSA-N 1 0 346.394 2.025 20 5 EEBDRO CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](OCCC[N+](C)(C)C)CC[C@@H]21 ZINC001224620130 1300671840 /nfs/dbraw/zinc/67/18/40/1300671840.db2.gz UCWBPYQUPQQWNM-JYJNAYRXSA-N 1 0 343.488 2.266 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(C)c3)C[C@H]1[N@@H+]2C ZINC001226843160 1301579530 /nfs/dbraw/zinc/57/95/30/1301579530.db2.gz GQHVCLWTIFBRML-SDNTUTLCSA-N 1 0 334.372 2.449 20 5 EEBDRO CC(C)(C)OCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226969398 1301630102 /nfs/dbraw/zinc/63/01/02/1301630102.db2.gz LEGZSSYIMPGYRA-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO C[NH+]1CCC2(CC[C@H](COc3nc4cc([N+](=O)[O-])ccc4[nH]3)O2)CC1 ZINC001227741252 1301949183 /nfs/dbraw/zinc/94/91/83/1301949183.db2.gz KCLJKVBBVAOMNV-CYBMUJFWSA-N 1 0 346.387 2.493 20 5 EEBDRO CN1C[C@@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]2C1=O ZINC001232222946 1304043102 /nfs/dbraw/zinc/04/31/02/1304043102.db2.gz SDUPBHBNIOJCBF-WBVHZDCISA-N 1 0 332.407 2.303 20 5 EEBDRO CC(=O)c1c2ccccc2nc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234496430 1304943752 /nfs/dbraw/zinc/94/37/52/1304943752.db2.gz ZHXWDTNGGGVREJ-CQSZACIVSA-N 1 0 345.419 2.108 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001115872356 1305841549 /nfs/dbraw/zinc/84/15/49/1305841549.db2.gz DTDVFCRKXLSZRM-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1cnc(NC2(Cc3ccccn3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001161491081 1320516724 /nfs/dbraw/zinc/51/67/24/1320516724.db2.gz FHSUYCNNUKDRMI-UHFFFAOYSA-N 1 0 343.387 2.170 20 5 EEBDRO C[C@H]([N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000839612271 1315220167 /nfs/dbraw/zinc/22/01/67/1315220167.db2.gz OUHLVUKNTBSIBK-VIFPVBQESA-N 1 0 329.784 2.278 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000843073996 1315835275 /nfs/dbraw/zinc/83/52/75/1315835275.db2.gz KRMNYBAMSWMCIN-MZPVMMEZSA-N 1 0 334.347 2.479 20 5 EEBDRO Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843092465 1315839879 /nfs/dbraw/zinc/83/98/79/1315839879.db2.gz DDPLGNSLVUNZNM-AEFFLSMTSA-N 1 0 330.384 2.130 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000843150596 1315855697 /nfs/dbraw/zinc/85/56/97/1315855697.db2.gz KJUNQSCFHPKTFL-LBPRGKRZSA-N 1 0 334.332 2.477 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843348804 1315895917 /nfs/dbraw/zinc/89/59/17/1315895917.db2.gz ZIFYQZSTYHOWKY-ZYHUDNBSSA-N 1 0 336.348 2.059 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843471024 1315919968 /nfs/dbraw/zinc/91/99/68/1315919968.db2.gz KKTYVDWZZISCOR-PWSUYJOCSA-N 1 0 336.348 2.011 20 5 EEBDRO CCSCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155075429 1317443561 /nfs/dbraw/zinc/44/35/61/1317443561.db2.gz WILTTXFXEGGNTN-UHFFFAOYSA-N 1 0 325.434 2.334 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC001155225943 1317509158 /nfs/dbraw/zinc/50/91/58/1317509158.db2.gz ZLYRKMQQOZJAID-GFCCVEGCSA-N 1 0 344.799 2.186 20 5 EEBDRO COC(=O)c1cnc(NCc2ccc3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155267816 1317531726 /nfs/dbraw/zinc/53/17/26/1317531726.db2.gz NPUWWPFRLJWXQV-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc2c1 ZINC001155523811 1317636782 /nfs/dbraw/zinc/63/67/82/1317636782.db2.gz VLRGCPKTUBCUGD-XNRPHZJLSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001155624064 1317679405 /nfs/dbraw/zinc/67/94/05/1317679405.db2.gz VDUDFTKKUJSHRU-SJCJKPOMSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155824809 1317750096 /nfs/dbraw/zinc/75/00/96/1317750096.db2.gz VJYREBBOPRUCGC-GXTWGEPZSA-N 1 0 326.784 2.356 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001254563275 1318122763 /nfs/dbraw/zinc/12/27/63/1318122763.db2.gz VZVJWGLWQBUWAE-GXTWGEPZSA-N 1 0 327.388 2.499 20 5 EEBDRO CCOC(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254573325 1318126619 /nfs/dbraw/zinc/12/66/19/1318126619.db2.gz XWGREGILLKKMLN-OAHLLOKOSA-N 1 0 333.388 2.273 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@](CO)(C(F)(F)F)C1)C2 ZINC001254593943 1318136829 /nfs/dbraw/zinc/13/68/29/1318136829.db2.gz OGWLHSRSANPZKV-KBPBESRZSA-N 1 0 330.306 2.309 20 5 EEBDRO CCO[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]2CCCO[C@H]12 ZINC001254596266 1318138887 /nfs/dbraw/zinc/13/88/87/1318138887.db2.gz NEJLEHMENYHARL-TVFCKZIOSA-N 1 0 332.400 2.330 20 5 EEBDRO O=c1ccc2c([nH]1)CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254607244 1318141923 /nfs/dbraw/zinc/14/19/23/1318141923.db2.gz JVHGOORWNDDEMX-MRXNPFEDSA-N 1 0 325.368 2.263 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3ccncn3)CC1)C2 ZINC001254610939 1318144460 /nfs/dbraw/zinc/14/44/60/1318144460.db2.gz MVFLVEXJIDCTPE-INIZCTEOSA-N 1 0 340.383 2.395 20 5 EEBDRO CCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157427063 1318631816 /nfs/dbraw/zinc/63/18/16/1318631816.db2.gz WWDYTEZXKRSERU-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)n1 ZINC001157432195 1318636926 /nfs/dbraw/zinc/63/69/26/1318636926.db2.gz AVMZEIXPKUWPAZ-HNNXBMFYSA-N 1 0 327.388 2.452 20 5 EEBDRO COc1cc(N2CCC(n3ccnc3CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256086586 1318642307 /nfs/dbraw/zinc/64/23/07/1318642307.db2.gz YSBMVCIUJAQVHM-UHFFFAOYSA-N 1 0 345.403 2.143 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC001256086874 1318645250 /nfs/dbraw/zinc/64/52/50/1318645250.db2.gz GOPZTTYIDJPSED-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157689106 1318798108 /nfs/dbraw/zinc/79/81/08/1318798108.db2.gz GQYXAYUOJNJEIY-DTORHVGOSA-N 1 0 346.218 2.470 20 5 EEBDRO Cc1nc(Cl)nc(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759792 1318841494 /nfs/dbraw/zinc/84/14/94/1318841494.db2.gz NZRWMQOHCYUDME-LBPRGKRZSA-N 1 0 333.779 2.498 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157895671 1318920524 /nfs/dbraw/zinc/92/05/24/1318920524.db2.gz MKHVTRJYGWOYBI-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)cnc2c1 ZINC001160736892 1320253817 /nfs/dbraw/zinc/25/38/17/1320253817.db2.gz NPYHDBRAGYIBCT-ZJUUUORDSA-N 1 0 341.293 2.490 20 5 EEBDRO O=[N+]([O-])c1cnc2cccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)n21 ZINC001162967525 1320999662 /nfs/dbraw/zinc/99/96/62/1320999662.db2.gz QRFZNIMFQIIZJX-CYBMUJFWSA-N 1 0 345.403 2.203 20 5 EEBDRO c1ccc2cc3c(cc2c1)ncnc3NCc1nnn2c1C[NH2+]CCC2 ZINC001162973454 1321001666 /nfs/dbraw/zinc/00/16/66/1321001666.db2.gz KWTFLDLRLXPQQR-UHFFFAOYSA-N 1 0 345.410 2.480 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(Nc2ccc([C@@H](C[NH3+])CO)cc2)n1 ZINC001163051188 1321024140 /nfs/dbraw/zinc/02/41/40/1321024140.db2.gz UMPWJYBCFSDBQQ-JTQLQIEISA-N 1 0 337.767 2.125 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@H]1CCOC13C[NH2+]C3)CCCC2 ZINC001163087486 1321031793 /nfs/dbraw/zinc/03/17/93/1321031793.db2.gz MNEAFKXUIUCEHU-ZDUSSCGKSA-N 1 0 332.404 2.049 20 5 EEBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)cc2cccnc21 ZINC001163134645 1321047915 /nfs/dbraw/zinc/04/79/15/1321047915.db2.gz ZJJUPUFWIYPWMD-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO CN(C)c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163282877 1321087279 /nfs/dbraw/zinc/08/72/79/1321087279.db2.gz BHICSEUNQZMOEV-SUMWQHHRSA-N 1 0 334.420 2.231 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H](C)C1 ZINC001163366704 1321106233 /nfs/dbraw/zinc/10/62/33/1321106233.db2.gz WJEHZYBPBZIMER-PWSUYJOCSA-N 1 0 328.800 2.412 20 5 EEBDRO C[C@H]1c2ccccc2CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163960910 1321256922 /nfs/dbraw/zinc/25/69/22/1321256922.db2.gz OKCYJTSYGIVLKU-NSHDSACASA-N 1 0 325.372 2.195 20 5 EEBDRO O=C(NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494597 1321395735 /nfs/dbraw/zinc/39/57/35/1321395735.db2.gz NTPGGWXEWCMINW-HUUCEWRRSA-N 1 0 335.448 2.108 20 5 EEBDRO Cc1ccoc1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001166277544 1321690830 /nfs/dbraw/zinc/69/08/30/1321690830.db2.gz UXOLCJKFWCNAHY-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO Cc1c(C[NH2+]CCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001261902907 1322195945 /nfs/dbraw/zinc/19/59/45/1322195945.db2.gz GSLOFXOGKLTCMC-UHFFFAOYSA-N 1 0 341.367 2.418 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001262558217 1322322972 /nfs/dbraw/zinc/32/29/72/1322322972.db2.gz YBJMWNHMJWGVBH-MRXNPFEDSA-N 1 0 346.343 2.238 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318829988 1332605874 /nfs/dbraw/zinc/60/58/74/1332605874.db2.gz ZDFXBOCCMVMICT-CVEARBPZSA-N 1 0 330.388 2.247 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001321744295 1333151657 /nfs/dbraw/zinc/15/16/57/1333151657.db2.gz RFHGHUKEBNWHRY-CABCVRRESA-N 1 0 349.435 2.179 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001322366783 1333254588 /nfs/dbraw/zinc/25/45/88/1333254588.db2.gz YNLVPMDPFSWUON-GDBMZVCRSA-N 1 0 334.420 2.309 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001326816581 1334163922 /nfs/dbraw/zinc/16/39/22/1334163922.db2.gz KNERMZYYVAZXDQ-UHFFFAOYSA-N 1 0 332.404 2.242 20 5 EEBDRO C[N@H+](CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001609276044 1351918531 /nfs/dbraw/zinc/91/85/31/1351918531.db2.gz DLJZLABVPKYPNT-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001328526383 1334473520 /nfs/dbraw/zinc/47/35/20/1334473520.db2.gz SAUVNQRVEUHCFM-CQSZACIVSA-N 1 0 346.431 2.488 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331274210 1334988994 /nfs/dbraw/zinc/98/89/94/1334988994.db2.gz FHYINFIAVZSBBR-GFCCVEGCSA-N 1 0 342.371 2.212 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC001333502968 1336059920 /nfs/dbraw/zinc/05/99/20/1336059920.db2.gz SSWCAWCOMQMJTR-OLZOCXBDSA-N 1 0 342.396 2.243 20 5 EEBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001336794995 1336596440 /nfs/dbraw/zinc/59/64/40/1336596440.db2.gz QESIZHDHQINWEO-IAGOWNOFSA-N 1 0 334.347 2.265 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887391 1336748795 /nfs/dbraw/zinc/74/87/95/1336748795.db2.gz FJSPOEZKEFSXLO-MEDUHNTESA-N 1 0 344.415 2.382 20 5 EEBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC001338449489 1336862539 /nfs/dbraw/zinc/86/25/39/1336862539.db2.gz UAFFWPHJAGMPMH-SFHVURJKSA-N 1 0 346.383 2.478 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C(C)(C)C)CC1 ZINC001340766635 1337243063 /nfs/dbraw/zinc/24/30/63/1337243063.db2.gz QYTRVAIGCVQRPA-ZDUSSCGKSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001345717867 1337462154 /nfs/dbraw/zinc/46/21/54/1337462154.db2.gz CQGWTOOBNABNQF-KGLIPLIRSA-N 1 0 334.376 2.352 20 5 EEBDRO CN(CCNC(=O)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100144165 1338065512 /nfs/dbraw/zinc/06/55/12/1338065512.db2.gz SCZQGHKWHQQCCS-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO Cc1ccc(N(C)CCNC(=O)C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001100346637 1338289681 /nfs/dbraw/zinc/28/96/81/1338289681.db2.gz ARPKFEVXAFLMSB-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO CNc1nccc(C(=O)OCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000848790129 1338764188 /nfs/dbraw/zinc/76/41/88/1338764188.db2.gz KCJBKMMJWZLSEC-UHFFFAOYSA-N 1 0 344.371 2.320 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001575546477 1343822977 /nfs/dbraw/zinc/82/29/77/1343822977.db2.gz XHPKYZUOMUWRFD-NSHDSACASA-N 1 0 349.366 2.023 20 5 EEBDRO CC[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001578234216 1344253828 /nfs/dbraw/zinc/25/38/28/1344253828.db2.gz OMLHMPTUUZMSLN-WBVHZDCISA-N 1 0 344.419 2.352 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)n1 ZINC001579642864 1344402325 /nfs/dbraw/zinc/40/23/25/1344402325.db2.gz ZJOQPFTWZMBFOI-CYBMUJFWSA-N 1 0 340.383 2.466 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001579877667 1344424978 /nfs/dbraw/zinc/42/49/78/1344424978.db2.gz XJBSRTAPXNPHSX-ZDUSSCGKSA-N 1 0 340.383 2.466 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001580262169 1344503138 /nfs/dbraw/zinc/50/31/38/1344503138.db2.gz PUTUUGZHKGVUOE-YPMHNXCESA-N 1 0 349.387 2.003 20 5 EEBDRO C[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1cccnc1 ZINC001580441889 1344520588 /nfs/dbraw/zinc/52/05/88/1344520588.db2.gz UMQPJLFVJTUSBY-JTQLQIEISA-N 1 0 325.332 2.021 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001580493958 1344526588 /nfs/dbraw/zinc/52/65/88/1344526588.db2.gz ONMLLAQHIFCUHS-JEZWAEDTSA-N 1 0 337.379 2.439 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590258863 1349232364 /nfs/dbraw/zinc/23/23/64/1349232364.db2.gz DBAJFDMOISFYQF-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590258910 1349236199 /nfs/dbraw/zinc/23/61/99/1349236199.db2.gz FOYNSIOUNSAPLF-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[NH+](CC)CCSCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590689332 1349390348 /nfs/dbraw/zinc/39/03/48/1349390348.db2.gz YLDXKTGLFUBDOR-UHFFFAOYSA-N 1 0 336.421 2.350 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591184472 1349445091 /nfs/dbraw/zinc/44/50/91/1349445091.db2.gz OVAPOCNXLQTWQR-SNVBAGLBSA-N 1 0 349.370 2.058 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC001593467846 1349804523 /nfs/dbraw/zinc/80/45/23/1349804523.db2.gz WJACWOMKMYHFEH-UHFFFAOYSA-N 1 0 338.318 2.252 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001603077600 1350634998 /nfs/dbraw/zinc/63/49/98/1350634998.db2.gz FPJYMLGBLIHVMF-LLVKDONJSA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603078073 1350635228 /nfs/dbraw/zinc/63/52/28/1350635228.db2.gz SBRMMLQRNVHGRW-NSHDSACASA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001607081193 1351409469 /nfs/dbraw/zinc/40/94/69/1351409469.db2.gz AZMIKTLJOWIHKE-JSGCOSHPSA-N 1 0 343.391 2.204 20 5 EEBDRO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cn[nH]c1 ZINC001752242726 1406238600 /nfs/dbraw/zinc/23/86/00/1406238600.db2.gz FXNFBXLFDDPGCH-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C[C@H]1[NH3+] ZINC000818006303 1367408637 /nfs/dbraw/zinc/40/86/37/1367408637.db2.gz ZXMLZTCQWHMZBH-CZUORRHYSA-N 1 0 346.431 2.250 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000843323526 1369921778 /nfs/dbraw/zinc/92/17/78/1369921778.db2.gz WIZQBSMHJOVODK-HTQZYQBOSA-N 1 0 337.348 2.129 20 5 EEBDRO COCCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120495912 1371827272 /nfs/dbraw/zinc/82/72/72/1371827272.db2.gz LRRQEVYIHWASKE-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000831534220 1372378929 /nfs/dbraw/zinc/37/89/29/1372378929.db2.gz NPLOVGMVVIBURT-SJLPKXTDSA-N 1 0 333.432 2.231 20 5 EEBDRO CCc1ccccc1[C@H](N)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001578275361 1403731310 /nfs/dbraw/zinc/73/13/10/1403731310.db2.gz JWENPFQAFCZDJW-MQBCKMQZSA-N 1 0 329.404 2.347 20 5 EEBDRO CN(C[C@H]1CC[NH2+]1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001578456744 1403759851 /nfs/dbraw/zinc/75/98/51/1403759851.db2.gz RJLSQEOTBDBTDP-LLVKDONJSA-N 1 0 332.385 2.152 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001592135271 1404002622 /nfs/dbraw/zinc/00/26/22/1404002622.db2.gz HUCAWMNDRCKEKP-LLVKDONJSA-N 1 0 339.359 2.329 20 5 EEBDRO COC(=O)/C=C/c1ccc(N[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000864565150 1410470655 /nfs/dbraw/zinc/47/06/55/1410470655.db2.gz FISLNKGDNFCBSV-CSPWOOARSA-N 1 0 331.372 2.478 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164726731 720517215 /nfs/dbraw/zinc/51/72/15/720517215.db2.gz DFGRMLUJOAXICL-CQSZACIVSA-N 1 0 344.419 2.001 20 5 EEBDRO O=C(O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000893604723 774640292 /nfs/dbraw/zinc/64/02/92/774640292.db2.gz GYWUCQPWENGDBO-NQNKBUKLSA-N 1 0 330.384 2.105 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001127690326 779403800 /nfs/dbraw/zinc/40/38/00/779403800.db2.gz LXDIRHFDIIRNRV-UHFFFAOYSA-N 1 0 346.431 2.189 20 5 EEBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001112160927 781700542 /nfs/dbraw/zinc/70/05/42/781700542.db2.gz GFMBPEQWYJKCIL-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000817371671 784720549 /nfs/dbraw/zinc/72/05/49/784720549.db2.gz BVCQPDPYYQBLFS-QGZVFWFLSA-N 1 0 329.404 2.442 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817906899 785061993 /nfs/dbraw/zinc/06/19/93/785061993.db2.gz GIYHTDPKIPSNEX-VNQPRFMTSA-N 1 0 339.823 2.495 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818968258 785363976 /nfs/dbraw/zinc/36/39/76/785363976.db2.gz PCKGNXOXAWTGOT-HNNXBMFYSA-N 1 0 347.327 2.335 20 5 EEBDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819126293 785434605 /nfs/dbraw/zinc/43/46/05/785434605.db2.gz JXDGLAWDSWLLLU-WMZOPIPTSA-N 1 0 330.384 2.476 20 5 EEBDRO Cc1cccn2cc(CC[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)nc12 ZINC000819127751 785434647 /nfs/dbraw/zinc/43/46/47/785434647.db2.gz XOZDQUYCHFMULT-KRWDZBQOSA-N 1 0 340.383 2.417 20 5 EEBDRO COc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C ZINC000820669965 786011740 /nfs/dbraw/zinc/01/17/40/786011740.db2.gz FOEDSVLWNWKPQO-CQSZACIVSA-N 1 0 335.404 2.070 20 5 EEBDRO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001109576543 805707735 /nfs/dbraw/zinc/70/77/35/805707735.db2.gz MCSBCEGYZDPLST-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107391523 787106021 /nfs/dbraw/zinc/10/60/21/787106021.db2.gz JXWJCYUOGKNQOF-CMDGGOBGSA-N 1 0 334.420 2.409 20 5 EEBDRO COCC1(c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)CC[NH2+]CC1 ZINC000822862947 787443050 /nfs/dbraw/zinc/44/30/50/787443050.db2.gz MPVLDIAKMKAOPZ-UHFFFAOYSA-N 1 0 346.387 2.145 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)co1 ZINC000991417750 788499041 /nfs/dbraw/zinc/49/90/41/788499041.db2.gz URXJLMSDDGIENV-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000844742665 789341655 /nfs/dbraw/zinc/34/16/55/789341655.db2.gz QQRPKGMGKJTKCT-QGZVFWFLSA-N 1 0 343.431 2.224 20 5 EEBDRO COC(=O)COc1c(C)cc(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171340511 792777406 /nfs/dbraw/zinc/77/74/06/792777406.db2.gz RKLUCIWYJYVKLF-LBPRGKRZSA-N 1 0 337.376 2.009 20 5 EEBDRO O=C(COc1ccccc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001171890374 796784808 /nfs/dbraw/zinc/78/48/08/796784808.db2.gz OLEOMYYWOOMMBJ-UHFFFAOYSA-N 1 0 349.412 2.331 20 5 EEBDRO CN(C)C(=O)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910316 797169182 /nfs/dbraw/zinc/16/91/82/797169182.db2.gz XLXRJZYNIBCGSS-MRXNPFEDSA-N 1 0 346.431 2.141 20 5 EEBDRO C[C@H](CN(C)C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006122 797193921 /nfs/dbraw/zinc/19/39/21/797193921.db2.gz MXIJCNIOHGZJIT-LLVKDONJSA-N 1 0 342.390 2.382 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](O)[C@H](C)C2)c1F ZINC001173180754 797278508 /nfs/dbraw/zinc/27/85/08/797278508.db2.gz MWSDUTIWRXXARN-SUNKGSAMSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2ccncc2)c1F ZINC001173180455 797278950 /nfs/dbraw/zinc/27/89/50/797278950.db2.gz QUSBEERPELRSCK-XHDPSFHLSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](CO)C2)c1F ZINC001173184882 797280324 /nfs/dbraw/zinc/28/03/24/797280324.db2.gz PDPSARMMPRFQSE-VXGBXAGGSA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)NCC(C)C)c1F ZINC001173190664 797281806 /nfs/dbraw/zinc/28/18/06/797281806.db2.gz GGRGJDQTHPVUKU-NSHDSACASA-N 1 0 341.383 2.035 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OC2COC2)n1 ZINC001173218064 797298786 /nfs/dbraw/zinc/29/87/86/797298786.db2.gz ASNWOLDIUMNWGI-ZDUSSCGKSA-N 1 0 343.383 2.488 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001173225526 797309615 /nfs/dbraw/zinc/30/96/15/797309615.db2.gz DHLQHKWTQPRLTN-SWLSCSKDSA-N 1 0 327.388 2.499 20 5 EEBDRO COCCOc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173226549 797310819 /nfs/dbraw/zinc/31/08/19/797310819.db2.gz XQUNTOSLEFORHO-CYBMUJFWSA-N 1 0 346.387 2.131 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ncccc2N)CC1 ZINC001173234664 797313474 /nfs/dbraw/zinc/31/34/74/797313474.db2.gz TWTJTZGQUUTOMX-CQSZACIVSA-N 1 0 341.415 2.325 20 5 EEBDRO CN(C)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccn1 ZINC000785857307 806614159 /nfs/dbraw/zinc/61/41/59/806614159.db2.gz FULPQEDYOAZFSZ-UHFFFAOYSA-N 1 0 330.392 2.089 20 5 EEBDRO [NH3+][C@@H]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC001166960452 798397967 /nfs/dbraw/zinc/39/79/67/798397967.db2.gz JDHPJAHXUMVOQE-SSDOTTSWSA-N 1 0 327.118 2.469 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc[nH]1 ZINC001086306813 802705480 /nfs/dbraw/zinc/70/54/80/802705480.db2.gz VUZHWVHKHWEXFM-HDJSIYSDSA-N 1 0 328.372 2.221 20 5 EEBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981242 803545236 /nfs/dbraw/zinc/54/52/36/803545236.db2.gz GWFKHWZMKVQWPJ-JHJVBQTASA-N 1 0 333.388 2.156 20 5 EEBDRO CC(C)CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001169005939 803568000 /nfs/dbraw/zinc/56/80/00/803568000.db2.gz WDMDSBSRFIZZCU-ZIAGYGMSSA-N 1 0 332.466 2.015 20 5 EEBDRO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991320 803574544 /nfs/dbraw/zinc/57/45/44/803574544.db2.gz GHYIZQMJAXXNAB-HIFRSBDPSA-N 1 0 349.406 2.465 20 5 EEBDRO COc1cccc(CN2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036545 803580036 /nfs/dbraw/zinc/58/00/36/803580036.db2.gz GKYYZNHXIMBODB-IAGOWNOFSA-N 1 0 333.432 2.258 20 5 EEBDRO COc1cccc(CN2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169036547 803580059 /nfs/dbraw/zinc/58/00/59/803580059.db2.gz GKYYZNHXIMBODB-SJORKVTESA-N 1 0 333.432 2.258 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cccc4c3OCCO4)CC2)C1 ZINC001169035951 803580283 /nfs/dbraw/zinc/58/02/83/803580283.db2.gz MIHLKVRDVIHEOO-HUUCEWRRSA-N 1 0 347.415 2.025 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)C1 ZINC001169017520 803586625 /nfs/dbraw/zinc/58/66/25/803586625.db2.gz AGMLSBVTPANWPD-SSGTUYFUSA-N 1 0 347.415 2.138 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)C1 ZINC001169025827 803591221 /nfs/dbraw/zinc/59/12/21/803591221.db2.gz ZCMYEKMCSAQXHL-BFYDXBDKSA-N 1 0 346.431 2.261 20 5 EEBDRO O=C1NCC[C@]12C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@H]2c1ccccc1 ZINC001169026764 803592465 /nfs/dbraw/zinc/59/24/65/803592465.db2.gz NVPCAAMZRGGINN-PCODUJHASA-N 1 0 343.427 2.038 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nccc(N)c1[N+](=O)[O-] ZINC001169173423 803648761 /nfs/dbraw/zinc/64/87/61/803648761.db2.gz GYSVMSATSYEOSJ-UHFFFAOYSA-N 1 0 341.371 2.334 20 5 EEBDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001169893430 804176706 /nfs/dbraw/zinc/17/67/06/804176706.db2.gz QZMDBTXBFRNGEH-UHFFFAOYSA-N 1 0 346.387 2.445 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000787238169 807063588 /nfs/dbraw/zinc/06/35/88/807063588.db2.gz JZDSICWTDMGEIY-LRDDRELGSA-N 1 0 344.371 2.299 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ncnn1C ZINC000788982314 807787763 /nfs/dbraw/zinc/78/77/63/807787763.db2.gz HFIXLTAVMJDGCG-GFCCVEGCSA-N 1 0 330.392 2.043 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170296275 809868929 /nfs/dbraw/zinc/86/89/29/809868929.db2.gz GDFABMVPZDQEAI-DOMZBBRYSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 ZINC001170297142 809869779 /nfs/dbraw/zinc/86/97/79/809869779.db2.gz KKFYVUVALRKUDY-GFCCVEGCSA-N 1 0 343.383 2.423 20 5 EEBDRO CCOC(=O)C1(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170297858 809870616 /nfs/dbraw/zinc/87/06/16/809870616.db2.gz UNQGJWDHSKHZIL-GFCCVEGCSA-N 1 0 336.388 2.467 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC001170329917 809894775 /nfs/dbraw/zinc/89/47/75/809894775.db2.gz WVFDQRZCHKAEIO-CYBMUJFWSA-N 1 0 347.415 2.137 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC12CC2 ZINC001170356149 809903966 /nfs/dbraw/zinc/90/39/66/809903966.db2.gz YNWQHGHFWZQBIC-WFASDCNBSA-N 1 0 348.399 2.419 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccn2ccccc12 ZINC001131176341 812510817 /nfs/dbraw/zinc/51/08/17/812510817.db2.gz YJJYFUAMQUFXGQ-UHFFFAOYSA-N 1 0 338.367 2.367 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000098014357 219069732 /nfs/dbraw/zinc/06/97/32/219069732.db2.gz KEDGTYKVQQGIMY-BLLLJJGKSA-N 1 0 343.387 2.175 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000174610997 529831565 /nfs/dbraw/zinc/83/15/65/529831565.db2.gz KBROEORXFRAAPQ-GXTWGEPZSA-N 1 0 335.429 2.382 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416049141 529933571 /nfs/dbraw/zinc/93/35/71/529933571.db2.gz QPYBVEXAUQKHIY-GFCCVEGCSA-N 1 0 348.325 2.058 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178992541 529991259 /nfs/dbraw/zinc/99/12/59/529991259.db2.gz LFFRMMGAWMQSMA-NSHDSACASA-N 1 0 341.795 2.085 20 5 EEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000065978422 215002556 /nfs/dbraw/zinc/00/25/56/215002556.db2.gz IHNCYJSNDUQHHB-UHFFFAOYSA-N 1 0 341.433 2.186 20 5 EEBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908778 219171652 /nfs/dbraw/zinc/17/16/52/219171652.db2.gz JHTXRMRCZIPIJP-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536413 215052742 /nfs/dbraw/zinc/05/27/42/215052742.db2.gz HQTNNFUBTUPCAJ-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000104573462 219395718 /nfs/dbraw/zinc/39/57/18/219395718.db2.gz XAKJNSWBZUUQAX-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181816538 234336076 /nfs/dbraw/zinc/33/60/76/234336076.db2.gz GHNPXNSXQLIMCL-MGPQQGTHSA-N 1 0 335.404 2.190 20 5 EEBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccncc1[N+](=O)[O-] ZINC000183639407 235176917 /nfs/dbraw/zinc/17/69/17/235176917.db2.gz HYLZIHLUPXECEA-UHFFFAOYSA-N 1 0 341.371 2.170 20 5 EEBDRO NC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246212340 283379396 /nfs/dbraw/zinc/37/93/96/283379396.db2.gz AONKFZLZHCTRLN-ZFWWWQNUSA-N 1 0 344.415 2.147 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071911877 215956915 /nfs/dbraw/zinc/95/69/15/215956915.db2.gz BNGJYDRTTUONDI-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(C)(C)O)C1CC1 ZINC000189907059 237386898 /nfs/dbraw/zinc/38/68/98/237386898.db2.gz RXOPZBLTBFWKNS-UHFFFAOYSA-N 1 0 335.404 2.467 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000072753550 216303097 /nfs/dbraw/zinc/30/30/97/216303097.db2.gz PFJWZFGNSKXRPA-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000193498465 240190199 /nfs/dbraw/zinc/19/01/99/240190199.db2.gz DRVOQZYDNNMAJS-WFASDCNBSA-N 1 0 332.404 2.065 20 5 EEBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000193700760 240273054 /nfs/dbraw/zinc/27/30/54/240273054.db2.gz CEKXSOFAJNMTKM-MEDUHNTESA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1c(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423816070 240639213 /nfs/dbraw/zinc/63/92/13/240639213.db2.gz XIJWIGOHZIWLAD-IBGZPJMESA-N 1 0 339.395 2.451 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424036410 240804516 /nfs/dbraw/zinc/80/45/16/240804516.db2.gz FALCQGMVPHWFGE-HNNXBMFYSA-N 1 0 349.435 2.121 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000426930817 241356680 /nfs/dbraw/zinc/35/66/80/241356680.db2.gz FFMLNKJYBHCERF-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449639736 242579440 /nfs/dbraw/zinc/57/94/40/242579440.db2.gz QGCDDWXNSSJKOC-TZMCWYRMSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H]1COCCN1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549156 243152540 /nfs/dbraw/zinc/15/25/40/243152540.db2.gz PBLGVRACBIXSIF-DOTOQJQBSA-N 1 0 333.432 2.495 20 5 EEBDRO C[N@H+](C[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549659 243153298 /nfs/dbraw/zinc/15/32/98/243153298.db2.gz PZCDFVLAEGNPDA-MAUKXSAKSA-N 1 0 333.432 2.229 20 5 EEBDRO C[C@H]1COCCN1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549162 243153749 /nfs/dbraw/zinc/15/37/49/243153749.db2.gz PBLGVRACBIXSIF-RDJZCZTQSA-N 1 0 333.432 2.495 20 5 EEBDRO C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597819 243172073 /nfs/dbraw/zinc/17/20/73/243172073.db2.gz DLUPKRYTQYNYTO-FABXCBLPSA-N 1 0 347.415 2.309 20 5 EEBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000451888786 243293704 /nfs/dbraw/zinc/29/37/04/243293704.db2.gz JLJKSVOJJPURDS-LBPRGKRZSA-N 1 0 331.376 2.491 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262739566 245152788 /nfs/dbraw/zinc/15/27/88/245152788.db2.gz IXAXOXPAIHLCSM-GWCFXTLKSA-N 1 0 346.412 2.446 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C)CC2)cc1SC ZINC000264205931 246182188 /nfs/dbraw/zinc/18/21/88/246182188.db2.gz RUNMFPSMBXPNRJ-UHFFFAOYSA-N 1 0 339.417 2.103 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266552969 248357237 /nfs/dbraw/zinc/35/72/37/248357237.db2.gz LTQVOACMBILHIF-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000492311166 295643215 /nfs/dbraw/zinc/64/32/15/295643215.db2.gz HHEUAVJOCOHVOO-AZJURWTESA-N 1 0 335.429 2.112 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2ccncc21 ZINC000362214933 285125678 /nfs/dbraw/zinc/12/56/78/285125678.db2.gz BBSNMCDKAGXILL-CYBMUJFWSA-N 1 0 328.372 2.054 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000267087454 256025802 /nfs/dbraw/zinc/02/58/02/256025802.db2.gz ZYELUCAMSSHQHN-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267114209 256028126 /nfs/dbraw/zinc/02/81/26/256028126.db2.gz ODDXPVPYNPBZKH-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267220434 256038872 /nfs/dbraw/zinc/03/88/72/256038872.db2.gz CXUANUJURYIGPS-VXGBXAGGSA-N 1 0 341.433 2.283 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270357561 256127110 /nfs/dbraw/zinc/12/71/10/256127110.db2.gz AYFIEMLBUMYTDE-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000270683127 256160475 /nfs/dbraw/zinc/16/04/75/256160475.db2.gz VNSYDKPSLBVLSY-CZUORRHYSA-N 1 0 331.372 2.423 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1OCCc2ccccc21 ZINC000270551899 256147658 /nfs/dbraw/zinc/14/76/58/256147658.db2.gz HDPMPLILPIHHAH-KRWDZBQOSA-N 1 0 343.383 2.002 20 5 EEBDRO C[C@]1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273026363 256258490 /nfs/dbraw/zinc/25/84/90/256258490.db2.gz RGMPDIALBLLHEH-SFHVURJKSA-N 1 0 346.431 2.315 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076496 256263317 /nfs/dbraw/zinc/26/33/17/256263317.db2.gz POYUXDPMOQZGHV-SJORKVTESA-N 1 0 349.387 2.089 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000273187040 256274540 /nfs/dbraw/zinc/27/45/40/256274540.db2.gz ICJGNGGEWRMHBT-AWEZNQCLSA-N 1 0 348.447 2.410 20 5 EEBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000273618301 256312528 /nfs/dbraw/zinc/31/25/28/256312528.db2.gz NZUDXQUXXUGADI-SNVBAGLBSA-N 1 0 349.420 2.175 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000344961829 292290963 /nfs/dbraw/zinc/29/09/63/292290963.db2.gz HLZRHECNQQXZBN-ZIAGYGMSSA-N 1 0 335.404 2.223 20 5 EEBDRO C[NH+](C)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000088300246 159175383 /nfs/dbraw/zinc/17/53/83/159175383.db2.gz KGEHLGFQBVOMKX-UHFFFAOYSA-N 1 0 335.145 2.173 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192470816 160170768 /nfs/dbraw/zinc/17/07/68/160170768.db2.gz AWAOVCJFUIUOJG-TXEJJXNPSA-N 1 0 335.429 2.340 20 5 EEBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1Br ZINC000234270642 160218307 /nfs/dbraw/zinc/21/83/07/160218307.db2.gz IFUZSRCTWUHPIT-UHFFFAOYSA-N 1 0 332.198 2.347 20 5 EEBDRO C[NH+](C)C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCOCC1 ZINC000342415916 161063700 /nfs/dbraw/zinc/06/37/00/161063700.db2.gz OERCQAMKYQNKFW-UHFFFAOYSA-N 1 0 337.405 2.122 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc1[N+](=O)[O-] ZINC000342428287 161064783 /nfs/dbraw/zinc/06/47/83/161064783.db2.gz FYZLBUPDQJPCCM-HRCADAONSA-N 1 0 347.415 2.340 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343446090 161136982 /nfs/dbraw/zinc/13/69/82/161136982.db2.gz LUXCDTFLHCPJHH-BXUZGUMPSA-N 1 0 332.404 2.382 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000344397369 161223298 /nfs/dbraw/zinc/22/32/98/161223298.db2.gz SQHRBFYTWPBMDZ-DLBZAZTESA-N 1 0 333.388 2.389 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000345315553 161291316 /nfs/dbraw/zinc/29/13/16/161291316.db2.gz OIKXOTGKTATZIN-UHFFFAOYSA-N 1 0 336.373 2.244 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCOCC(F)(F)F)C2)nc1 ZINC000345672120 161321422 /nfs/dbraw/zinc/32/14/22/161321422.db2.gz ZEYYGSHZDFOMNR-LLVKDONJSA-N 1 0 348.325 2.445 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352355138 162101610 /nfs/dbraw/zinc/10/16/10/162101610.db2.gz GINXDAUJKKUZOP-CQSZACIVSA-N 1 0 330.388 2.300 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000352539325 162178278 /nfs/dbraw/zinc/17/82/78/162178278.db2.gz XGENYNWYVYVBNV-UHFFFAOYSA-N 1 0 328.372 2.493 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000352563557 162190773 /nfs/dbraw/zinc/19/07/73/162190773.db2.gz RPLAQZBJLALTNT-INIZCTEOSA-N 1 0 331.347 2.435 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000356145074 163349281 /nfs/dbraw/zinc/34/92/81/163349281.db2.gz FRPVFCYVYYMNHV-UHFFFAOYSA-N 1 0 345.403 2.100 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359214017 164084317 /nfs/dbraw/zinc/08/43/17/164084317.db2.gz PEIUBAJWQVOEDP-NHYWBVRUSA-N 1 0 332.404 2.185 20 5 EEBDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256013 164269279 /nfs/dbraw/zinc/26/92/79/164269279.db2.gz XERHTMUGOLZSEZ-KGLIPLIRSA-N 1 0 335.404 2.328 20 5 EEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000366725687 165843467 /nfs/dbraw/zinc/84/34/67/165843467.db2.gz UCLDXHKZNQLMPA-CQSZACIVSA-N 1 0 349.435 2.164 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCC[N@@H+]2C)CC1 ZINC000374986087 167079236 /nfs/dbraw/zinc/07/92/36/167079236.db2.gz IBSRVQOAZKLXKP-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO CC(=O)c1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000376174278 167276004 /nfs/dbraw/zinc/27/60/04/167276004.db2.gz QMGLNHSTKZFDHZ-INIZCTEOSA-N 1 0 346.431 2.014 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000172114987 227477109 /nfs/dbraw/zinc/47/71/09/227477109.db2.gz MLWFFRRWFFHHLT-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987678 268886375 /nfs/dbraw/zinc/88/63/75/268886375.db2.gz FUMBPIBUBOPANM-YQQAZPJKSA-N 1 0 336.388 2.340 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000277285113 269146968 /nfs/dbraw/zinc/14/69/68/269146968.db2.gz RSTKZCSBKQDSFD-LBPRGKRZSA-N 1 0 342.355 2.007 20 5 EEBDRO C[C@H]1OCC[C@]12CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270798 269344911 /nfs/dbraw/zinc/34/49/11/269344911.db2.gz CYRZDXGTQVPBAW-BZNIZROVSA-N 1 0 333.344 2.116 20 5 EEBDRO Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280311254 269349555 /nfs/dbraw/zinc/34/95/55/269349555.db2.gz GDFVXXMNWKWBEY-WBVHZDCISA-N 1 0 344.415 2.259 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH2+]CC2)CC1 ZINC000269102020 274109948 /nfs/dbraw/zinc/10/99/48/274109948.db2.gz FLBRYSBWMPYZAT-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000265047903 274286574 /nfs/dbraw/zinc/28/65/74/274286574.db2.gz LBWOWSFCWWFSPT-CHWSQXEVSA-N 1 0 334.424 2.058 20 5 EEBDRO Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278326706 274346810 /nfs/dbraw/zinc/34/68/10/274346810.db2.gz ATDFDVWVZSVTOK-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309107 274595628 /nfs/dbraw/zinc/59/56/28/274595628.db2.gz IHDOQMNNHBKJBF-ZFWWWQNUSA-N 1 0 336.411 2.196 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000229093865 274658025 /nfs/dbraw/zinc/65/80/25/274658025.db2.gz UICJCTWIORMWAM-WPRPVWTQSA-N 1 0 343.225 2.482 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285870837 274806584 /nfs/dbraw/zinc/80/65/84/274806584.db2.gz BMYPOAPVYDANAU-IQMDTDKHSA-N 1 0 325.796 2.293 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288114632 275025445 /nfs/dbraw/zinc/02/54/45/275025445.db2.gz XYTVQAPSPYXOAZ-YOEHRIQHSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000288451421 275059868 /nfs/dbraw/zinc/05/98/68/275059868.db2.gz ZACBZZPDTMWTFQ-OCCSQVGLSA-N 1 0 328.372 2.316 20 5 EEBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000288718533 275082189 /nfs/dbraw/zinc/08/21/89/275082189.db2.gz FRXUIYGZZXEQPK-QGZVFWFLSA-N 1 0 335.404 2.408 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000288881751 275089745 /nfs/dbraw/zinc/08/97/45/275089745.db2.gz ZNLZTGDLEFRIOI-NSHDSACASA-N 1 0 346.412 2.439 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000289095494 275099104 /nfs/dbraw/zinc/09/91/04/275099104.db2.gz RCKPLAFUAIRWRJ-GFCCVEGCSA-N 1 0 337.767 2.004 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000289693809 275139834 /nfs/dbraw/zinc/13/98/34/275139834.db2.gz HBDHPVRZTRAAQB-GDBMZVCRSA-N 1 0 349.431 2.289 20 5 EEBDRO O=C(CN1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289990989 275168405 /nfs/dbraw/zinc/16/84/05/275168405.db2.gz SJZLOKUOFXXAIQ-GFCCVEGCSA-N 1 0 349.778 2.330 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000290058249 275174937 /nfs/dbraw/zinc/17/49/37/275174937.db2.gz HBEUZWNKEQBHRX-SNVBAGLBSA-N 1 0 332.809 2.163 20 5 EEBDRO Cc1cc(N2CCC(NC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290763889 275237184 /nfs/dbraw/zinc/23/71/84/275237184.db2.gz KLPUIGVYEZBNBN-UHFFFAOYSA-N 1 0 329.360 2.089 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291624092 275324191 /nfs/dbraw/zinc/32/41/91/275324191.db2.gz AZJXOUDDOPHKKE-QGZVFWFLSA-N 1 0 333.388 2.222 20 5 EEBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160908842 275597373 /nfs/dbraw/zinc/59/73/73/275597373.db2.gz MFAOXMSXDXBWKY-INIZCTEOSA-N 1 0 335.404 2.338 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000153543356 276164127 /nfs/dbraw/zinc/16/41/27/276164127.db2.gz UHHIUVGBJQNPRJ-UHFFFAOYSA-N 1 0 328.372 2.311 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000165841273 277279392 /nfs/dbraw/zinc/27/93/92/277279392.db2.gz FNGBSKVBUUSLFA-VIFPVBQESA-N 1 0 329.198 2.249 20 5 EEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427930599 277562135 /nfs/dbraw/zinc/56/21/35/277562135.db2.gz JOWCLVTZOYMBPA-VIFPVBQESA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCS(C)(=O)=O ZINC000449255910 278298563 /nfs/dbraw/zinc/29/85/63/278298563.db2.gz HDJJGXXYLJGWHM-ZDUSSCGKSA-N 1 0 328.434 2.330 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000153725070 278686682 /nfs/dbraw/zinc/68/66/82/278686682.db2.gz CMVXEZLPALZPFG-DTORHVGOSA-N 1 0 342.193 2.180 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000293211630 293152755 /nfs/dbraw/zinc/15/27/55/293152755.db2.gz XQUZWCIJJBPVQF-CQSZACIVSA-N 1 0 346.431 2.219 20 5 EEBDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000293845241 293308788 /nfs/dbraw/zinc/30/87/88/293308788.db2.gz FUIFSTANXGNFRW-UHFFFAOYSA-N 1 0 334.420 2.481 20 5 EEBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000299588372 294781232 /nfs/dbraw/zinc/78/12/32/294781232.db2.gz FDUHPKASRGBMJD-KRWDZBQOSA-N 1 0 325.368 2.486 20 5 EEBDRO COc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301925727 294911822 /nfs/dbraw/zinc/91/18/22/294911822.db2.gz LHUACUVPHDILKO-GFCCVEGCSA-N 1 0 341.383 2.247 20 5 EEBDRO O=C(CCN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118829494 295474399 /nfs/dbraw/zinc/47/43/99/295474399.db2.gz CYWUZKXLFIDHII-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cn1ccnc1[C@H](NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423549574 303003684 /nfs/dbraw/zinc/00/36/84/303003684.db2.gz HUBOYVYCKPONEX-MRXNPFEDSA-N 1 0 329.404 2.149 20 5 EEBDRO NC(=O)c1cccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000342351115 303346455 /nfs/dbraw/zinc/34/64/55/303346455.db2.gz QUCUQDJVPZZBCP-CYBMUJFWSA-N 1 0 332.404 2.148 20 5 EEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000302839848 311552916 /nfs/dbraw/zinc/55/29/16/311552916.db2.gz ZOZGEFDLOHSRBK-UHFFFAOYSA-N 1 0 334.376 2.305 20 5 EEBDRO C[NH2+]CCNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000414828897 313099048 /nfs/dbraw/zinc/09/90/48/313099048.db2.gz LLANBPFZIRXCJB-UHFFFAOYSA-N 1 0 345.399 2.491 20 5 EEBDRO C[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418238515 313760714 /nfs/dbraw/zinc/76/07/14/313760714.db2.gz XGORANHTOQFNDH-ZDUSSCGKSA-N 1 0 332.404 2.441 20 5 EEBDRO C[C@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC000418519104 313835677 /nfs/dbraw/zinc/83/56/77/313835677.db2.gz NWZJAODTWGUUOK-KRWDZBQOSA-N 1 0 332.404 2.052 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420450597 313962396 /nfs/dbraw/zinc/96/23/96/313962396.db2.gz UVXHUZGVXSNQIX-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO CCCN1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)CC1=O ZINC000421353641 314090289 /nfs/dbraw/zinc/09/02/89/314090289.db2.gz PTIXTMBAXLISOA-CYBMUJFWSA-N 1 0 335.404 2.342 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000421743346 314152953 /nfs/dbraw/zinc/15/29/53/314152953.db2.gz WDOGACFKOAAKIU-HUUCEWRRSA-N 1 0 349.431 2.441 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000421742347 314153317 /nfs/dbraw/zinc/15/33/17/314153317.db2.gz RXCIGNUQLXZLHZ-OAHLLOKOSA-N 1 0 349.431 2.298 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445173300 315349898 /nfs/dbraw/zinc/34/98/98/315349898.db2.gz NYRLXFOGLDQRNW-BZPMIXESSA-N 1 0 348.403 2.173 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCCc1ccccc1 ZINC000449121080 315418964 /nfs/dbraw/zinc/41/89/64/315418964.db2.gz FXZQSMXREOEYIO-OAHLLOKOSA-N 1 0 341.411 2.474 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000515642406 316509954 /nfs/dbraw/zinc/50/99/54/316509954.db2.gz GIUAMGMLDKWVKM-MRXNPFEDSA-N 1 0 341.367 2.107 20 5 EEBDRO COCC[C@@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000517674938 316682005 /nfs/dbraw/zinc/68/20/05/316682005.db2.gz AUDNHQXFKPRHIQ-OAHLLOKOSA-N 1 0 328.340 2.028 20 5 EEBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862641 318011520 /nfs/dbraw/zinc/01/15/20/318011520.db2.gz KHXLBFHIRHMLBU-CHWSQXEVSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000565828436 319218613 /nfs/dbraw/zinc/21/86/13/319218613.db2.gz PPVPTKCBCFOVIX-JKSUJKDBSA-N 1 0 325.368 2.389 20 5 EEBDRO COc1ccc(CC(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000574854167 320062725 /nfs/dbraw/zinc/06/27/25/320062725.db2.gz QQRUQWVJXGUDEP-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576407401 320169351 /nfs/dbraw/zinc/16/93/51/320169351.db2.gz LBBMKOZQAUSLDY-QGZVFWFLSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576574433 320184229 /nfs/dbraw/zinc/18/42/29/320184229.db2.gz KRJUDWJHQMRUMQ-ZDUSSCGKSA-N 1 0 331.376 2.171 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000182298068 323371860 /nfs/dbraw/zinc/37/18/60/323371860.db2.gz RPKBAWGBJPURPM-OCCSQVGLSA-N 1 0 337.376 2.089 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579231508 323806545 /nfs/dbraw/zinc/80/65/45/323806545.db2.gz ILBFIJRAGBIDNT-HNNXBMFYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1cccc(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000583689430 324711624 /nfs/dbraw/zinc/71/16/24/324711624.db2.gz QKJPKELUVGTUIB-KRWDZBQOSA-N 1 0 345.399 2.260 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000286788463 465026335 /nfs/dbraw/zinc/02/63/35/465026335.db2.gz GQWNQINMNQOXHP-WMLDXEAASA-N 1 0 346.431 2.406 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069296 465071612 /nfs/dbraw/zinc/07/16/12/465071612.db2.gz PKHNYTRHYKCLFF-YMRXKLBXSA-N 1 0 347.415 2.133 20 5 EEBDRO CCCCNC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000341493423 465196784 /nfs/dbraw/zinc/19/67/84/465196784.db2.gz LWVYXTMHJAFLQU-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000356311027 465305969 /nfs/dbraw/zinc/30/59/69/465305969.db2.gz ITZUBQPBNHMCFF-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298151088 465315771 /nfs/dbraw/zinc/31/57/71/465315771.db2.gz GXHUSNOBBQKBFH-UHFFFAOYSA-N 1 0 341.433 2.088 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521129875 468290005 /nfs/dbraw/zinc/29/00/05/468290005.db2.gz RNSZCTMAYCGFQP-AWEZNQCLSA-N 1 0 335.404 2.137 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1COC1 ZINC000298455221 465400810 /nfs/dbraw/zinc/40/08/10/465400810.db2.gz RJEXOICRZKAWQX-UHFFFAOYSA-N 1 0 337.376 2.041 20 5 EEBDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061045053 462574869 /nfs/dbraw/zinc/57/48/69/462574869.db2.gz QUBMFJBHYCQVSL-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000075158543 462688822 /nfs/dbraw/zinc/68/88/22/462688822.db2.gz BWXYAKONJKRVLJ-ZDUSSCGKSA-N 1 0 334.420 2.432 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064333737 462696052 /nfs/dbraw/zinc/69/60/52/462696052.db2.gz HBFQLRWUWCWWFN-UHFFFAOYSA-N 1 0 347.415 2.169 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000046953361 462726290 /nfs/dbraw/zinc/72/62/90/462726290.db2.gz POOOCLLIJUDFIT-KGLIPLIRSA-N 1 0 335.404 2.210 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000046996088 462731733 /nfs/dbraw/zinc/73/17/33/462731733.db2.gz HWMFXEAWVHRPBT-UONOGXRCSA-N 1 0 333.388 2.350 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000119419269 462899066 /nfs/dbraw/zinc/89/90/66/462899066.db2.gz QFWDQOXVTOXGIH-AWEZNQCLSA-N 1 0 348.447 2.369 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120882771 463050009 /nfs/dbraw/zinc/05/00/09/463050009.db2.gz HSEOUHFRWGDDRM-INIZCTEOSA-N 1 0 348.447 2.414 20 5 EEBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000121234537 463102604 /nfs/dbraw/zinc/10/26/04/463102604.db2.gz NHEIHCBXNGHLKR-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO C[NH+](C)Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000068185921 463102849 /nfs/dbraw/zinc/10/28/49/463102849.db2.gz GIJBSTUQGQWRDT-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000078689640 463141769 /nfs/dbraw/zinc/14/17/69/463141769.db2.gz MHIJTAGQJCBYNN-ZDUSSCGKSA-N 1 0 342.403 2.068 20 5 EEBDRO CCOCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000157602016 463148158 /nfs/dbraw/zinc/14/81/58/463148158.db2.gz AVPLZRFUTKCVTP-UHFFFAOYSA-N 1 0 339.392 2.290 20 5 EEBDRO CN(C(=O)CN1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000027120061 463182272 /nfs/dbraw/zinc/18/22/72/463182272.db2.gz XGOUEXOWYDQGOC-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO CN(CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080086851 463280507 /nfs/dbraw/zinc/28/05/07/463280507.db2.gz HWZGHUQLTLFHJE-AWEZNQCLSA-N 1 0 346.431 2.164 20 5 EEBDRO Cc1sc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000122874706 463297200 /nfs/dbraw/zinc/29/72/00/463297200.db2.gz ITFCQRMWEFXBIA-UHFFFAOYSA-N 1 0 349.478 2.362 20 5 EEBDRO CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000069810874 463330062 /nfs/dbraw/zinc/33/00/62/463330062.db2.gz OPVKDXRGCLTVMI-OAHLLOKOSA-N 1 0 336.411 2.339 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070745848 463382822 /nfs/dbraw/zinc/38/28/22/463382822.db2.gz XIUABOFZGAVIFB-UHFFFAOYSA-N 1 0 337.445 2.487 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000161141911 463404947 /nfs/dbraw/zinc/40/49/47/463404947.db2.gz GVFSMMPAFJPUBQ-UHFFFAOYSA-N 1 0 345.403 2.098 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000124404874 463420160 /nfs/dbraw/zinc/42/01/60/463420160.db2.gz CCVOOPONNGIUDO-UHFFFAOYSA-N 1 0 328.372 2.493 20 5 EEBDRO Cc1nc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000579464955 468362487 /nfs/dbraw/zinc/36/24/87/468362487.db2.gz BRHCSPRAFNZWMM-UHFFFAOYSA-N 1 0 332.360 2.361 20 5 EEBDRO CC(C)N(Cc1cccnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000125643255 463565020 /nfs/dbraw/zinc/56/50/20/463565020.db2.gz WCJWWKOOCBGKKK-UHFFFAOYSA-N 1 0 328.372 2.499 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000108782654 463623018 /nfs/dbraw/zinc/62/30/18/463623018.db2.gz TZVOHHMECBGPTO-GFCCVEGCSA-N 1 0 344.415 2.383 20 5 EEBDRO Nc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000126509174 463642368 /nfs/dbraw/zinc/64/23/68/463642368.db2.gz JURBETSASGQQGT-DOMZBBRYSA-N 1 0 344.415 2.266 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000109809636 463650950 /nfs/dbraw/zinc/65/09/50/463650950.db2.gz QYVCFPAZELOBPD-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111290740 463673905 /nfs/dbraw/zinc/67/39/05/463673905.db2.gz HTUUPHKJAZWBKW-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO CN(CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000177484822 463716720 /nfs/dbraw/zinc/71/67/20/463716720.db2.gz ZYGPVOCSNIESJS-UONOGXRCSA-N 1 0 334.420 2.020 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000286953654 463752713 /nfs/dbraw/zinc/75/27/13/463752713.db2.gz IQTFLSCNVJTDIT-QMMMGPOBSA-N 1 0 332.307 2.268 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000276997944 463835930 /nfs/dbraw/zinc/83/59/30/463835930.db2.gz NXKPFGOFCIRZHR-JSGCOSHPSA-N 1 0 337.376 2.089 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287233599 463842615 /nfs/dbraw/zinc/84/26/15/463842615.db2.gz JLQRUTXHJQUOKE-LLVKDONJSA-N 1 0 331.376 2.022 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287239345 463843994 /nfs/dbraw/zinc/84/39/94/463843994.db2.gz RBMPQICHAPEGEH-NHYWBVRUSA-N 1 0 343.387 2.170 20 5 EEBDRO C[NH2+][C@@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000261846526 463877371 /nfs/dbraw/zinc/87/73/71/463877371.db2.gz XJTVSGXPQTWOOU-LLVKDONJSA-N 1 0 345.346 2.389 20 5 EEBDRO CN(CCCn1ccnc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000269143068 463889287 /nfs/dbraw/zinc/88/92/87/463889287.db2.gz IVDHOWGTJPDOEV-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171665596 463902025 /nfs/dbraw/zinc/90/20/25/463902025.db2.gz PRGMDIIHDCAUSR-MRXNPFEDSA-N 1 0 332.404 2.365 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186340694 463978665 /nfs/dbraw/zinc/97/86/65/463978665.db2.gz QFEJSXOZERLFAW-UHFFFAOYSA-N 1 0 344.415 2.235 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262342847 464005759 /nfs/dbraw/zinc/00/57/59/464005759.db2.gz HGSZVFVSGWQGSM-KBPBESRZSA-N 1 0 334.420 2.210 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263304858 464082156 /nfs/dbraw/zinc/08/21/56/464082156.db2.gz XRKOQZYGMBXPNB-FUHWJXTLSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@@H]1CN(CCN(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000279654962 464120954 /nfs/dbraw/zinc/12/09/54/464120954.db2.gz CADSMDODFWTDNA-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000179445088 464138666 /nfs/dbraw/zinc/13/86/66/464138666.db2.gz QUWNRWYYPPQXHB-CQSZACIVSA-N 1 0 335.404 2.294 20 5 EEBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263702475 464160125 /nfs/dbraw/zinc/16/01/25/464160125.db2.gz IYLDYNGYLHHEHV-OAHLLOKOSA-N 1 0 349.431 2.458 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270070056 464177961 /nfs/dbraw/zinc/17/79/61/464177961.db2.gz HXOOJPPARKAEDM-INIZCTEOSA-N 1 0 346.431 2.468 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000263822902 464205669 /nfs/dbraw/zinc/20/56/69/464205669.db2.gz VGYGBJNVHBHWCD-UHFFFAOYSA-N 1 0 339.440 2.036 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236800451 464227164 /nfs/dbraw/zinc/22/71/64/464227164.db2.gz UYIXWXQAGOMYTK-NSHDSACASA-N 1 0 349.840 2.242 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000270275928 464243235 /nfs/dbraw/zinc/24/32/35/464243235.db2.gz SMKPQBKQVXNLMR-DLBZAZTESA-N 1 0 342.399 2.362 20 5 EEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000188310344 464250132 /nfs/dbraw/zinc/25/01/32/464250132.db2.gz VVWAYERIUNGGFP-UHFFFAOYSA-N 1 0 345.403 2.084 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000173563217 464283966 /nfs/dbraw/zinc/28/39/66/464283966.db2.gz DIMFQMDDDIZZDB-GFCCVEGCSA-N 1 0 337.424 2.074 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284810238 464350583 /nfs/dbraw/zinc/35/05/83/464350583.db2.gz KRMRGJSNLQPFSR-FUHWJXTLSA-N 1 0 349.431 2.287 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271761747 464374324 /nfs/dbraw/zinc/37/43/24/464374324.db2.gz GXHUFPPEMSOWKB-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577414 464381648 /nfs/dbraw/zinc/38/16/48/464381648.db2.gz BCMYFBLBQMZOBB-QWHCGFSZSA-N 1 0 334.294 2.361 20 5 EEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000271783425 464384178 /nfs/dbraw/zinc/38/41/78/464384178.db2.gz VVMMTBAABZIMEF-LBPRGKRZSA-N 1 0 349.412 2.136 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000237906845 464401308 /nfs/dbraw/zinc/40/13/08/464401308.db2.gz PIUOJKTYXXODRM-NSHDSACASA-N 1 0 347.293 2.003 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264647311 464408198 /nfs/dbraw/zinc/40/81/98/464408198.db2.gz WJLFBXGKMNNJNJ-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000271913236 464410406 /nfs/dbraw/zinc/41/04/06/464410406.db2.gz IWUABFKTFBZGAN-UHFFFAOYSA-N 1 0 344.415 2.187 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000237999776 464416828 /nfs/dbraw/zinc/41/68/28/464416828.db2.gz FSGOAUVZGHNCDY-CQSZACIVSA-N 1 0 334.420 2.293 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238042279 464423938 /nfs/dbraw/zinc/42/39/38/464423938.db2.gz CJPGOIQJUDRMSM-GZMMTYOYSA-N 1 0 342.193 2.215 20 5 EEBDRO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000272022079 464450221 /nfs/dbraw/zinc/45/02/21/464450221.db2.gz NATPLVBPPHOYOP-SFHVURJKSA-N 1 0 347.415 2.111 20 5 EEBDRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000294293835 464457556 /nfs/dbraw/zinc/45/75/56/464457556.db2.gz FHVGSSFEHBHEHT-UHFFFAOYSA-N 1 0 337.351 2.099 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272208094 464518113 /nfs/dbraw/zinc/51/81/13/464518113.db2.gz PTRNUODGJDRUNL-SJCJKPOMSA-N 1 0 344.415 2.017 20 5 EEBDRO CCC[C@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000285388041 464545115 /nfs/dbraw/zinc/54/51/15/464545115.db2.gz BTEAVHZUBYPWIR-KRWDZBQOSA-N 1 0 333.388 2.033 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000175626450 464589616 /nfs/dbraw/zinc/58/96/16/464589616.db2.gz FUGZHVGREDJIQB-KGLIPLIRSA-N 1 0 349.435 2.179 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000285518882 464595083 /nfs/dbraw/zinc/59/50/83/464595083.db2.gz OCDWPKWEZCJPBK-UHFFFAOYSA-N 1 0 340.376 2.291 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426751 464603954 /nfs/dbraw/zinc/60/39/54/464603954.db2.gz CEJVJLJNCUHNBB-DOTOQJQBSA-N 1 0 346.431 2.263 20 5 EEBDRO Cc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000182255706 464612169 /nfs/dbraw/zinc/61/21/69/464612169.db2.gz IXEYCGDHTGUDCN-ZDUSSCGKSA-N 1 0 334.420 2.480 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000246736374 464616596 /nfs/dbraw/zinc/61/65/96/464616596.db2.gz NSRMAGVOWFHSRT-FUHWJXTLSA-N 1 0 344.415 2.249 20 5 EEBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCNC1=O ZINC000281913320 464632986 /nfs/dbraw/zinc/63/29/86/464632986.db2.gz RKSVCVMCJWFCMY-CQSZACIVSA-N 1 0 344.371 2.003 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285631602 464636184 /nfs/dbraw/zinc/63/61/84/464636184.db2.gz KUBACLNVYKLQSQ-XOKHGSTOSA-N 1 0 330.388 2.235 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176260607 464732995 /nfs/dbraw/zinc/73/29/95/464732995.db2.gz XXWVUQRXVYJSRA-INIZCTEOSA-N 1 0 343.431 2.388 20 5 EEBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000591155766 468418072 /nfs/dbraw/zinc/41/80/72/468418072.db2.gz TYJUFRVXAVBZBA-QWHCGFSZSA-N 1 0 326.397 2.145 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@@H]21 ZINC000286136996 464816998 /nfs/dbraw/zinc/81/69/98/464816998.db2.gz HRHIHNUZVPCZRG-ABAIWWIYSA-N 1 0 343.387 2.164 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286271859 464862657 /nfs/dbraw/zinc/86/26/57/464862657.db2.gz BIZGEHPXPKBISR-NUTGUDPMSA-N 1 0 345.399 2.279 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373461 464896380 /nfs/dbraw/zinc/89/63/80/464896380.db2.gz YUKGZBYPIUXDJD-GZBFAFLISA-N 1 0 335.404 2.371 20 5 EEBDRO CC(C)N1CC[NH+](C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000286437315 464917889 /nfs/dbraw/zinc/91/78/89/464917889.db2.gz IKZALANHTFDILR-UHFFFAOYSA-N 1 0 347.463 2.172 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177067125 464922574 /nfs/dbraw/zinc/92/25/74/464922574.db2.gz MBRCVYNWRXGXTM-QWHCGFSZSA-N 1 0 333.388 2.105 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(CCC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000276428697 464928010 /nfs/dbraw/zinc/92/80/10/464928010.db2.gz TXNHZLHSTRTPTD-UHFFFAOYSA-N 1 0 325.413 2.074 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+](C2CC2)C1 ZINC000295781403 464962785 /nfs/dbraw/zinc/96/27/85/464962785.db2.gz XZNQPVVOTXRSTP-CYBMUJFWSA-N 1 0 346.431 2.217 20 5 EEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177265720 464973255 /nfs/dbraw/zinc/97/32/55/464973255.db2.gz IKROKMLLUHNJII-UHFFFAOYSA-N 1 0 349.435 2.095 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c([N+](=O)[O-])c1 ZINC000593910040 468429511 /nfs/dbraw/zinc/42/95/11/468429511.db2.gz QDCVTTPTYWXEST-HOCLYGCPSA-N 1 0 346.431 2.352 20 5 EEBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000358815167 465337912 /nfs/dbraw/zinc/33/79/12/465337912.db2.gz VSUSKXVMECYSTJ-LBPRGKRZSA-N 1 0 329.784 2.183 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000593911681 468430836 /nfs/dbraw/zinc/43/08/36/468430836.db2.gz IKRGJEJCDKMQCN-SGTLLEGYSA-N 1 0 340.383 2.344 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnnn1CC[NH+](C)C ZINC000351829179 465386800 /nfs/dbraw/zinc/38/68/00/465386800.db2.gz LYTSMXQLJBHENZ-NSHDSACASA-N 1 0 336.421 2.305 20 5 EEBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000342940723 465403032 /nfs/dbraw/zinc/40/30/32/465403032.db2.gz UNNNILFNDJMQGE-CYBMUJFWSA-N 1 0 336.411 2.339 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371088574 465589393 /nfs/dbraw/zinc/58/93/93/465589393.db2.gz QWULDIABFTVEKH-MRXNPFEDSA-N 1 0 346.431 2.468 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591304178 468444084 /nfs/dbraw/zinc/44/40/84/468444084.db2.gz RFZYIGWKRQJYEA-FZMZJTMJSA-N 1 0 334.376 2.209 20 5 EEBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357012283 465699859 /nfs/dbraw/zinc/69/98/59/465699859.db2.gz QQLILWXTACGHQM-SNVBAGLBSA-N 1 0 335.360 2.382 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330602356 465726793 /nfs/dbraw/zinc/72/67/93/465726793.db2.gz WMGCVQPAINMGLN-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000362516364 465797981 /nfs/dbraw/zinc/79/79/81/465797981.db2.gz OXVMQLYEMGJILA-BUPRPMBJSA-N 1 0 336.388 2.018 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299590018 465814584 /nfs/dbraw/zinc/81/45/84/465814584.db2.gz ZGSCNHZAVFADRK-PHIMTYICSA-N 1 0 337.424 2.113 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)c1cnn(C)c1 ZINC000348845551 465833805 /nfs/dbraw/zinc/83/38/05/465833805.db2.gz ZRDXSEGULQVJIE-GFCCVEGCSA-N 1 0 331.376 2.268 20 5 EEBDRO Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000338286712 465985630 /nfs/dbraw/zinc/98/56/30/465985630.db2.gz WZNJRDWHIVKYNV-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@H]21 ZINC000301705401 466014935 /nfs/dbraw/zinc/01/49/35/466014935.db2.gz IEYZAXQYXAQMNI-BXUZGUMPSA-N 1 0 343.387 2.164 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000349264791 466043280 /nfs/dbraw/zinc/04/32/80/466043280.db2.gz IOMMSUQJCMUPFL-QGZVFWFLSA-N 1 0 349.431 2.097 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591436911 468469795 /nfs/dbraw/zinc/46/97/95/468469795.db2.gz COCZKHQROSFBQD-VHSXEESVSA-N 1 0 341.209 2.249 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000372024562 466122319 /nfs/dbraw/zinc/12/23/19/466122319.db2.gz AAXMINGZUXWQGB-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346847670 466196417 /nfs/dbraw/zinc/19/64/17/466196417.db2.gz PRVSFQFWDJOEEZ-FPMFFAJLSA-N 1 0 335.404 2.171 20 5 EEBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000363354116 466362291 /nfs/dbraw/zinc/36/22/91/466362291.db2.gz XQQYARFBKCPXRB-AWEZNQCLSA-N 1 0 330.392 2.071 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347201535 466472145 /nfs/dbraw/zinc/47/21/45/466472145.db2.gz OMABGSIFXLPQJL-CHWSQXEVSA-N 1 0 336.436 2.420 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347265763 466521332 /nfs/dbraw/zinc/52/13/32/466521332.db2.gz BOEOSGCKEAVHGL-HUUCEWRRSA-N 1 0 346.431 2.400 20 5 EEBDRO CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000362107574 466562464 /nfs/dbraw/zinc/56/24/64/466562464.db2.gz VRPUIPCLOKKHPZ-HNNXBMFYSA-N 1 0 344.795 2.431 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000373462114 466811259 /nfs/dbraw/zinc/81/12/59/466811259.db2.gz YGERPJFVBWNYPJ-HOCLYGCPSA-N 1 0 343.431 2.329 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000417715047 466915299 /nfs/dbraw/zinc/91/52/99/466915299.db2.gz IJHOXCFUZZEJDN-CYBMUJFWSA-N 1 0 344.362 2.199 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000373816906 466929960 /nfs/dbraw/zinc/92/99/60/466929960.db2.gz WINDMQZXYWVUDF-WBVHZDCISA-N 1 0 333.388 2.389 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC000424041619 466960998 /nfs/dbraw/zinc/96/09/98/466960998.db2.gz IXCNRNKZTZZBID-UONOGXRCSA-N 1 0 332.335 2.019 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127156 467020027 /nfs/dbraw/zinc/02/00/27/467020027.db2.gz KWAUNEZJUDDUGU-SJWGOKEGSA-N 1 0 331.416 2.497 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418342412 467095055 /nfs/dbraw/zinc/09/50/55/467095055.db2.gz IRECNNAVIFFUBK-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451082837 467243116 /nfs/dbraw/zinc/24/31/16/467243116.db2.gz GYDBPAWZUUVJPP-ZDUSSCGKSA-N 1 0 346.431 2.258 20 5 EEBDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314168 467324030 /nfs/dbraw/zinc/32/40/30/467324030.db2.gz HPEOKAOWWGBOAH-FZMZJTMJSA-N 1 0 341.367 2.384 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429567836 467348393 /nfs/dbraw/zinc/34/83/93/467348393.db2.gz HGEOHVOGCPETTE-WFASDCNBSA-N 1 0 346.431 2.298 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c1 ZINC000420339001 467367271 /nfs/dbraw/zinc/36/72/71/467367271.db2.gz LIYGYFGYEYNMDU-HIFRSBDPSA-N 1 0 328.372 2.086 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429770382 467368719 /nfs/dbraw/zinc/36/87/19/467368719.db2.gz UIBJFEBYIQTXQB-GJZGRUSLSA-N 1 0 344.371 2.254 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420355094 467375439 /nfs/dbraw/zinc/37/54/39/467375439.db2.gz BQAKTULWPPVYAB-YPHNTLSLSA-N 1 0 334.420 2.206 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000420403592 467396425 /nfs/dbraw/zinc/39/64/25/467396425.db2.gz LNBXETOGMPARHD-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000420440297 467409082 /nfs/dbraw/zinc/40/90/82/467409082.db2.gz BVHPZUWVIXLLDK-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000394312080 467433130 /nfs/dbraw/zinc/43/31/30/467433130.db2.gz NEJZAYRQCVYACI-KGLIPLIRSA-N 1 0 332.404 2.335 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430569685 467441231 /nfs/dbraw/zinc/44/12/31/467441231.db2.gz ALKSKDVMXJXDAV-CJNGLKHVSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)CCC2 ZINC000453250401 467469963 /nfs/dbraw/zinc/46/99/63/467469963.db2.gz ACUUZJPPOAULIE-WMZOPIPTSA-N 1 0 333.432 2.409 20 5 EEBDRO C[NH2+]CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430940126 467479049 /nfs/dbraw/zinc/47/90/49/467479049.db2.gz NVIXTARLHNFOAZ-CYBMUJFWSA-N 1 0 334.420 2.162 20 5 EEBDRO CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000431064709 467492089 /nfs/dbraw/zinc/49/20/89/467492089.db2.gz FNWYYERFSNMLSM-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO CC[N@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000448982965 467610239 /nfs/dbraw/zinc/61/02/39/467610239.db2.gz YUIBEBYIYYXERR-UHFFFAOYSA-N 1 0 335.404 2.404 20 5 EEBDRO CNc1nc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000454909098 467623529 /nfs/dbraw/zinc/62/35/29/467623529.db2.gz FFRQZEFISJMDSP-UHFFFAOYSA-N 1 0 349.435 2.226 20 5 EEBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC([NH3+])C1 ZINC000449635942 467673171 /nfs/dbraw/zinc/67/31/71/467673171.db2.gz VLFQRNVYOFCOBS-UHFFFAOYSA-N 1 0 332.385 2.280 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000493186012 467857518 /nfs/dbraw/zinc/85/75/18/467857518.db2.gz GRBSGDNGQSPQDQ-MAVJXHJTSA-N 1 0 333.363 2.349 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000515299828 467983567 /nfs/dbraw/zinc/98/35/67/467983567.db2.gz JARUDHVUKXYCJI-UHFFFAOYSA-N 1 0 349.309 2.265 20 5 EEBDRO CN(Cc1cccs1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000516152590 468015038 /nfs/dbraw/zinc/01/50/38/468015038.db2.gz OUOXTOPHBYBWGS-CQSZACIVSA-N 1 0 345.380 2.420 20 5 EEBDRO COc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000531103948 468028898 /nfs/dbraw/zinc/02/88/98/468028898.db2.gz HEOZFKKJLJWKQT-UHFFFAOYSA-N 1 0 346.387 2.343 20 5 EEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265641 468040504 /nfs/dbraw/zinc/04/05/04/468040504.db2.gz QSQYTHSKWQUKRD-OTYXRUKQSA-N 1 0 327.768 2.344 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488037781 468068381 /nfs/dbraw/zinc/06/83/81/468068381.db2.gz GYVQOXVNWZJLTP-MRXNPFEDSA-N 1 0 334.420 2.114 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488753698 468101969 /nfs/dbraw/zinc/10/19/69/468101969.db2.gz NDNVWQJDFRWZQK-DVOMOZLQSA-N 1 0 346.431 2.121 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752885 468102055 /nfs/dbraw/zinc/10/20/55/468102055.db2.gz YPCBXIFATSSGSG-SRVKXCTJSA-N 1 0 335.433 2.471 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000518579919 468120894 /nfs/dbraw/zinc/12/08/94/468120894.db2.gz OFJGOMSVJVIIPH-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O ZINC000532808527 468144323 /nfs/dbraw/zinc/14/43/23/468144323.db2.gz VKLHOIZWLJMCQQ-LLVKDONJSA-N 1 0 338.385 2.378 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCC3CCOCC3)CC2)cn1 ZINC000519502043 468164394 /nfs/dbraw/zinc/16/43/94/468164394.db2.gz KPLFFDXCWYLUFE-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590033664 468206747 /nfs/dbraw/zinc/20/67/47/468206747.db2.gz WNFWWURXKGTZME-CQSZACIVSA-N 1 0 331.416 2.473 20 5 EEBDRO CC1(C)CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCO ZINC000590084572 468212386 /nfs/dbraw/zinc/21/23/86/468212386.db2.gz GKMKOTNAPLUCIN-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000600309874 468529161 /nfs/dbraw/zinc/52/91/61/468529161.db2.gz DEDRUWIOKHFXEJ-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000594596543 468630918 /nfs/dbraw/zinc/63/09/18/468630918.db2.gz ANQLUUJNPQVLLZ-YPMHNXCESA-N 1 0 334.376 2.205 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594598716 468631492 /nfs/dbraw/zinc/63/14/92/468631492.db2.gz HQEZMEYAVPPOIY-JKSUJKDBSA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3Cl)CC2)c1 ZINC000592138134 468634384 /nfs/dbraw/zinc/63/43/84/468634384.db2.gz TUBGHRVCIMVLER-LBPRGKRZSA-N 1 0 336.779 2.085 20 5 EEBDRO COc1ccc(CC(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628940 468639508 /nfs/dbraw/zinc/63/95/08/468639508.db2.gz QPKGEXKZVGTVNW-UHFFFAOYSA-N 1 0 347.415 2.281 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000592470753 468705339 /nfs/dbraw/zinc/70/53/39/468705339.db2.gz LTOQBEYCXYKCME-GOSISDBHSA-N 1 0 346.431 2.055 20 5 EEBDRO CC[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000592488721 468709427 /nfs/dbraw/zinc/70/94/27/468709427.db2.gz MMBWGFKQVOGBCS-BXUZGUMPSA-N 1 0 331.376 2.204 20 5 EEBDRO CC1([NH3+])CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592543481 468726936 /nfs/dbraw/zinc/72/69/36/468726936.db2.gz CQFNBWBMIUHKPW-UHFFFAOYSA-N 1 0 341.795 2.357 20 5 EEBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000597990877 468733429 /nfs/dbraw/zinc/73/34/29/468733429.db2.gz AAYKALWHTMTEFK-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC(OC)CC1 ZINC000595010707 468743148 /nfs/dbraw/zinc/74/31/48/468743148.db2.gz DJPLGTCHBLMWLU-ZDUSSCGKSA-N 1 0 337.420 2.365 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601115783 468746445 /nfs/dbraw/zinc/74/64/45/468746445.db2.gz CDTRTRUHNNTRJT-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000595043255 468748180 /nfs/dbraw/zinc/74/81/80/468748180.db2.gz VOQZWXVPPLSEDJ-UONOGXRCSA-N 1 0 337.420 2.101 20 5 EEBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000601139635 468757757 /nfs/dbraw/zinc/75/77/57/468757757.db2.gz LBXOLTAWVUDKLW-QAPCUYQASA-N 1 0 343.383 2.212 20 5 EEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)cc1 ZINC000601245826 468796489 /nfs/dbraw/zinc/79/64/89/468796489.db2.gz LMXKBQGRENIGHJ-CQSZACIVSA-N 1 0 328.372 2.236 20 5 EEBDRO CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592830079 468798849 /nfs/dbraw/zinc/79/88/49/468798849.db2.gz BGOQIBPPEUIAGW-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2(CO)CCC2)c2c(c1)COCO2 ZINC000595538314 468892272 /nfs/dbraw/zinc/89/22/72/468892272.db2.gz ILGYKQZEJXAOBL-UHFFFAOYSA-N 1 0 334.372 2.341 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000602644938 468983822 /nfs/dbraw/zinc/98/38/22/468983822.db2.gz PJMJNACIMZTQCG-VXGBXAGGSA-N 1 0 348.321 2.348 20 5 EEBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602687420 469011521 /nfs/dbraw/zinc/01/15/21/469011521.db2.gz VRUACDHEUUMUJQ-HOCLYGCPSA-N 1 0 330.388 2.381 20 5 EEBDRO O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595901276 469072241 /nfs/dbraw/zinc/07/22/41/469072241.db2.gz UQSHDTPBJFDJLO-HNNXBMFYSA-N 1 0 346.431 2.245 20 5 EEBDRO CCCn1ccnc1CCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819873 469095564 /nfs/dbraw/zinc/09/55/64/469095564.db2.gz IYOUMRRCWGRJEQ-UHFFFAOYSA-N 1 0 334.424 2.271 20 5 EEBDRO O=c1[nH]ccc(NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000596073560 469141173 /nfs/dbraw/zinc/14/11/73/469141173.db2.gz JCMHTYXATKGRQI-UHFFFAOYSA-N 1 0 338.433 2.469 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000602949288 469186216 /nfs/dbraw/zinc/18/62/16/469186216.db2.gz XZKYBMFCJXWBDJ-KBPBESRZSA-N 1 0 349.435 2.304 20 5 EEBDRO O=c1[nH]ccc(NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000596211401 469205025 /nfs/dbraw/zinc/20/50/25/469205025.db2.gz RMCBSGAREAXUPY-UHFFFAOYSA-N 1 0 329.360 2.167 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599476368 469269699 /nfs/dbraw/zinc/26/96/99/469269699.db2.gz QYLXIVPZNAISCW-SECBINFHSA-N 1 0 342.193 2.181 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000616091074 469365712 /nfs/dbraw/zinc/36/57/12/469365712.db2.gz KRLNFCJXDBFNFP-NSHDSACASA-N 1 0 344.314 2.424 20 5 EEBDRO C[N@@H+]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000618872509 469460147 /nfs/dbraw/zinc/46/01/47/469460147.db2.gz BXQFIFVSPDDOQL-JTQLQIEISA-N 1 0 331.294 2.182 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000619543501 469634687 /nfs/dbraw/zinc/63/46/87/469634687.db2.gz XAAVPUGYAUQMOQ-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000619583443 469645325 /nfs/dbraw/zinc/64/53/25/469645325.db2.gz RWFGXVZBSNRECA-AWEZNQCLSA-N 1 0 335.404 2.082 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609383104 469923192 /nfs/dbraw/zinc/92/31/92/469923192.db2.gz JEXMCPLTJZVACC-LBPRGKRZSA-N 1 0 328.372 2.290 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386266 469924392 /nfs/dbraw/zinc/92/43/92/469924392.db2.gz NZFXHFCDFFWPLL-CQSZACIVSA-N 1 0 334.420 2.304 20 5 EEBDRO CC(C)(O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000618284493 469950092 /nfs/dbraw/zinc/95/00/92/469950092.db2.gz NDDDMOPLSWRORC-UHFFFAOYSA-N 1 0 348.403 2.223 20 5 EEBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000609766295 469959485 /nfs/dbraw/zinc/95/94/85/469959485.db2.gz HBWVHNYMYPBFNB-GFCCVEGCSA-N 1 0 335.360 2.004 20 5 EEBDRO CC1([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183833348 528058214 /nfs/dbraw/zinc/05/82/14/528058214.db2.gz JMUVCPWKHSKKHB-AWEZNQCLSA-N 1 0 336.388 2.449 20 5 EEBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3N)ccc21 ZINC000456279906 536139467 /nfs/dbraw/zinc/13/94/67/536139467.db2.gz PUABHZSXAQBSJN-HNNXBMFYSA-N 1 0 341.371 2.373 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000730773551 577055022 /nfs/dbraw/zinc/05/50/22/577055022.db2.gz GIUAQJPJMPTGHT-CYBMUJFWSA-N 1 0 344.415 2.162 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000730805845 577058288 /nfs/dbraw/zinc/05/82/88/577058288.db2.gz FBTWEVYXIOAWRW-INIZCTEOSA-N 1 0 329.404 2.462 20 5 EEBDRO CCCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000765399929 577500283 /nfs/dbraw/zinc/50/02/83/577500283.db2.gz AKHSKBRVFXLEFE-CYBMUJFWSA-N 1 0 343.449 2.432 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000768806126 577562957 /nfs/dbraw/zinc/56/29/57/577562957.db2.gz WVOWRACGPFAMKX-WDEREUQCSA-N 1 0 347.462 2.198 20 5 EEBDRO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028586 577589177 /nfs/dbraw/zinc/58/91/77/577589177.db2.gz GOUOSTQFJKPMLP-ZBFHGGJFSA-N 1 0 330.388 2.241 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761055685 577675135 /nfs/dbraw/zinc/67/51/35/577675135.db2.gz MHPBLNWRUKTIDD-JQWIXIFHSA-N 1 0 334.294 2.219 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1OC ZINC000761509909 577685210 /nfs/dbraw/zinc/68/52/10/577685210.db2.gz BJSNNZHZOCQLIS-KZNAEPCWSA-N 1 0 349.431 2.346 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000749101395 577971138 /nfs/dbraw/zinc/97/11/38/577971138.db2.gz ARZBNULKLDAQAW-UHFFFAOYSA-N 1 0 347.419 2.180 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749647606 577979452 /nfs/dbraw/zinc/97/94/52/577979452.db2.gz OQBPSBNBRMRHCB-MRXNPFEDSA-N 1 0 346.383 2.478 20 5 EEBDRO CCNC(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678310 577979747 /nfs/dbraw/zinc/97/97/47/577979747.db2.gz RIOSMTQALCOAKQ-KRWDZBQOSA-N 1 0 343.383 2.168 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000749802568 577982117 /nfs/dbraw/zinc/98/21/17/577982117.db2.gz YFGMHXXSBCCKAJ-HUUCEWRRSA-N 1 0 343.387 2.169 20 5 EEBDRO CCOC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749953292 577984526 /nfs/dbraw/zinc/98/45/26/577984526.db2.gz LMHBVTCCFKYCLR-CYBMUJFWSA-N 1 0 333.392 2.354 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959641 577984876 /nfs/dbraw/zinc/98/48/76/577984876.db2.gz JZSKUFGNELKKRJ-ZDUSSCGKSA-N 1 0 332.408 2.022 20 5 EEBDRO C[C@H]1C[C@H](C)[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000740859773 578108136 /nfs/dbraw/zinc/10/81/36/578108136.db2.gz MQNCDWKQKXYKNE-RYUDHWBXSA-N 1 0 332.360 2.051 20 5 EEBDRO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000740859052 578108205 /nfs/dbraw/zinc/10/82/05/578108205.db2.gz IRCQPUKFRKRWMR-PSTGCABASA-N 1 0 346.387 2.050 20 5 EEBDRO C[NH+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742149524 578127942 /nfs/dbraw/zinc/12/79/42/578127942.db2.gz IVGULSBFEVCDAK-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO CC[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000736013950 578177346 /nfs/dbraw/zinc/17/73/46/578177346.db2.gz VEKCDCGRPXMYGG-AWEZNQCLSA-N 1 0 337.376 2.197 20 5 EEBDRO Cc1ccc(CC[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000736308494 578194688 /nfs/dbraw/zinc/19/46/88/578194688.db2.gz OEVVXSCCZJHHIJ-QZTJIDSGSA-N 1 0 330.384 2.130 20 5 EEBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821254872 599046193 /nfs/dbraw/zinc/04/61/93/599046193.db2.gz PCXWFFFLNNGFSW-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cscn1 ZINC001021888199 676537001 /nfs/dbraw/zinc/53/70/01/676537001.db2.gz BJCYMFLGKSBQQS-AOOOYVTPSA-N 1 0 338.414 2.163 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001021927630 676549731 /nfs/dbraw/zinc/54/97/31/676549731.db2.gz HZQADJMHSQEKQM-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000891649467 676752977 /nfs/dbraw/zinc/75/29/77/676752977.db2.gz ACRGWTSNYJNTEB-HACGYAERSA-N 1 0 332.404 2.215 20 5 EEBDRO CCc1ncoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022683988 678221830 /nfs/dbraw/zinc/22/18/30/678221830.db2.gz WDIBWUFUCGCKES-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCS(=O)(=O)C1CC1)C1CC1 ZINC000840879097 680023275 /nfs/dbraw/zinc/02/32/75/680023275.db2.gz LWTYQTKSHOUHHS-HNNXBMFYSA-N 1 0 338.429 2.083 20 5 EEBDRO COC1CC[NH+](CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892853606 683137894 /nfs/dbraw/zinc/13/78/94/683137894.db2.gz NCLKTLDVZPIRBB-UHFFFAOYSA-N 1 0 348.378 2.227 20 5 EEBDRO O=C(CC1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025718770 683246717 /nfs/dbraw/zinc/24/67/17/683246717.db2.gz CTXAQRRODJKZQX-HWWDLCQESA-N 1 0 329.400 2.331 20 5 EEBDRO O=C(Cc1cncs1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020264433 683579404 /nfs/dbraw/zinc/57/94/04/683579404.db2.gz OYHVGVZLCUMVQA-JOCQHMNTSA-N 1 0 346.412 2.031 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000152941062 683594225 /nfs/dbraw/zinc/59/42/25/683594225.db2.gz SXYXWZRSGNXOPW-CYBMUJFWSA-N 1 0 341.383 2.129 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000893247886 684261319 /nfs/dbraw/zinc/26/13/19/684261319.db2.gz IOJDECLTPSPFHY-OCCSQVGLSA-N 1 0 338.433 2.014 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930655129 684328070 /nfs/dbraw/zinc/32/80/70/684328070.db2.gz NTBUSZVTTKFNHT-ZIAGYGMSSA-N 1 0 327.425 2.232 20 5 EEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264530 684386532 /nfs/dbraw/zinc/38/65/32/684386532.db2.gz FUFKGLBZGZQHDA-HOTGVXAUSA-N 1 0 332.404 2.015 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896619669 685129582 /nfs/dbraw/zinc/12/95/82/685129582.db2.gz IHXLRWGFDMWYGM-ZDUSSCGKSA-N 1 0 327.812 2.449 20 5 EEBDRO CCc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000985430517 686700026 /nfs/dbraw/zinc/70/00/26/686700026.db2.gz BUDUUKNHGJVTLO-QZTJIDSGSA-N 1 0 345.443 2.337 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000893452613 687691647 /nfs/dbraw/zinc/69/16/47/687691647.db2.gz MPKGTUIGQMBMEP-DUVNUKRYSA-N 1 0 332.404 2.310 20 5 EEBDRO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001059723182 688628946 /nfs/dbraw/zinc/62/89/46/688628946.db2.gz VLKARVQRPBFXQD-IYBDPMFKSA-N 1 0 346.431 2.386 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424021968 694480457 /nfs/dbraw/zinc/48/04/57/694480457.db2.gz BYHQAZVYQOZYNY-KRWDZBQOSA-N 1 0 332.404 2.141 20 5 EEBDRO C[C@H]1CN([C@@H](C[NH2+]CC[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000905044964 694509143 /nfs/dbraw/zinc/50/91/43/694509143.db2.gz GSJOIJHQLYSADY-FZMZJTMJSA-N 1 0 345.802 2.107 20 5 EEBDRO Cc1cccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000898625071 693400689 /nfs/dbraw/zinc/40/06/89/693400689.db2.gz SHMIOPVMNLKJSV-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001341870614 1181179988 /nfs/dbraw/zinc/17/99/88/1181179988.db2.gz BWZYOHJRELBDSP-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO Cc1c(C[NH2+]CCNC(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873031374 1198478826 /nfs/dbraw/zinc/47/88/26/1198478826.db2.gz RGFOAMBZOCGTRY-UHFFFAOYSA-N 1 0 345.374 2.491 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000873071139 1198491144 /nfs/dbraw/zinc/49/11/44/1198491144.db2.gz JUNRHZQNLRFWFQ-UHFFFAOYSA-N 1 0 326.418 2.126 20 5 EEBDRO O=C(Cc1ccc(F)c(F)c1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133042585 1200346201 /nfs/dbraw/zinc/34/62/01/1200346201.db2.gz JTYLDWOPZWBCKG-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001133193724 1200577629 /nfs/dbraw/zinc/57/76/29/1200577629.db2.gz YDDTZNXSIHHXOS-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCOCC1 ZINC000866335112 1201494916 /nfs/dbraw/zinc/49/49/16/1201494916.db2.gz DSRCDESVTCLSIX-IAQYHMDHSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCOCC1 ZINC000866335111 1201494940 /nfs/dbraw/zinc/49/49/40/1201494940.db2.gz DSRCDESVTCLSIX-ABAIWWIYSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000866358344 1201500090 /nfs/dbraw/zinc/50/00/90/1201500090.db2.gz XSCZERIYUBJVDA-NEPJUHHUSA-N 1 0 344.408 2.079 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000881226627 1201661139 /nfs/dbraw/zinc/66/11/39/1201661139.db2.gz SCDNUAAAWNGEOQ-UHFFFAOYSA-N 1 0 333.367 2.402 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C2 ZINC000868633955 1201849596 /nfs/dbraw/zinc/84/95/96/1201849596.db2.gz OBKIQPUQWGEUCY-QGZVFWFLSA-N 1 0 335.379 2.221 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000025557007 1201927829 /nfs/dbraw/zinc/92/78/29/1201927829.db2.gz ZJSBRDQMRXNTSQ-LJQANCHMSA-N 1 0 341.411 2.320 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000884518023 1202330381 /nfs/dbraw/zinc/33/03/81/1202330381.db2.gz CFVAOMSSKCPZJE-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000078344748 1210162658 /nfs/dbraw/zinc/16/26/58/1210162658.db2.gz BUMGJXLQCKFYRP-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO COC(=O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000093734661 1214934600 /nfs/dbraw/zinc/93/46/00/1214934600.db2.gz HFQRBQPCBDNWFI-UHFFFAOYSA-N 1 0 336.388 2.447 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796588622 1221449614 /nfs/dbraw/zinc/44/96/14/1221449614.db2.gz VEJNWLLRLQAMFN-GDBMZVCRSA-N 1 0 335.404 2.009 20 5 EEBDRO C[NH2+][C@@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595540 1234537237 /nfs/dbraw/zinc/53/72/37/1234537237.db2.gz IAORADQJEGZCMG-QMMMGPOBSA-N 1 0 340.181 2.278 20 5 EEBDRO CC[C@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641175 1234597916 /nfs/dbraw/zinc/59/79/16/1234597916.db2.gz MZYRFCFZYULRLC-JTQLQIEISA-N 1 0 340.181 2.407 20 5 EEBDRO CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)CC1 ZINC001048831810 1238798185 /nfs/dbraw/zinc/79/81/85/1238798185.db2.gz GQFXPFAXSCTVJK-GASCZTMLSA-N 1 0 329.400 2.285 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cocn1 ZINC001001252703 1241917151 /nfs/dbraw/zinc/91/71/51/1241917151.db2.gz BJRMRIXQWSCMHY-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101367186 1245722115 /nfs/dbraw/zinc/72/21/15/1245722115.db2.gz HVWWSERVYXFNJL-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104412677 1285123205 /nfs/dbraw/zinc/12/32/05/1285123205.db2.gz SLJSMCLZWPHKPF-GFCCVEGCSA-N 1 0 336.348 2.059 20 5 EEBDRO Cc1cc(OS(=O)(=O)CC2([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000867266322 1285154900 /nfs/dbraw/zinc/15/49/00/1285154900.db2.gz UTRZPYFGEMCPLQ-UHFFFAOYSA-N 1 0 348.808 2.359 20 5 EEBDRO Cc1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c([N+](=O)[O-])cc1Br ZINC001163147228 1321050213 /nfs/dbraw/zinc/05/02/13/1321050213.db2.gz JUOXYWFPTQXCPU-GGZOMVNGSA-N 1 0 342.193 2.064 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC001234569475 1304972937 /nfs/dbraw/zinc/97/29/37/1304972937.db2.gz NNJVICIDACOBRV-UHFFFAOYSA-N 1 0 334.401 2.303 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[C@@H](C)[NH+](C)C ZINC000853798774 1292458121 /nfs/dbraw/zinc/45/81/21/1292458121.db2.gz KUSUBTZWNNPDAM-SECBINFHSA-N 1 0 340.336 2.042 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825550038 1292705128 /nfs/dbraw/zinc/70/51/28/1292705128.db2.gz XWVFPCXDTRLSNV-IAGOWNOFSA-N 1 0 349.431 2.399 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000855162400 1293093282 /nfs/dbraw/zinc/09/32/82/1293093282.db2.gz XNZUSTZNUHETOD-GFCCVEGCSA-N 1 0 334.420 2.336 20 5 EEBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000855898831 1293361093 /nfs/dbraw/zinc/36/10/93/1293361093.db2.gz WKXGMPNBACLYGJ-ZDUSSCGKSA-N 1 0 334.420 2.336 20 5 EEBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000856796667 1293636038 /nfs/dbraw/zinc/63/60/38/1293636038.db2.gz XYGRATMAZSWZBN-RYUDHWBXSA-N 1 0 339.367 2.013 20 5 EEBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001217994312 1297543867 /nfs/dbraw/zinc/54/38/67/1297543867.db2.gz ZEUFSZADYOZTAV-IONNQARKSA-N 1 0 335.282 2.481 20 5 EEBDRO O=c1c2c(O[C@H]3CCC[NH2+]C3)cc(O)cc2oc2c(O)ccc(O)c12 ZINC001218287409 1297622816 /nfs/dbraw/zinc/62/28/16/1297622816.db2.gz YTNBRTQQVKSGPX-JTQLQIEISA-N 1 0 343.335 2.194 20 5 EEBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101786875 1299855078 /nfs/dbraw/zinc/85/50/78/1299855078.db2.gz BBKXGTLCTGCSPD-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO Cc1nnsc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233813327 1304601376 /nfs/dbraw/zinc/60/13/76/1304601376.db2.gz XXTRSKRAYPAWTI-UHFFFAOYSA-N 1 0 349.416 2.007 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799195846 1305183154 /nfs/dbraw/zinc/18/31/54/1305183154.db2.gz LZMOHKOOVJAHMK-GDBMZVCRSA-N 1 0 343.383 2.219 20 5 EEBDRO [NH3+]CCCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001117956527 1306228617 /nfs/dbraw/zinc/22/86/17/1306228617.db2.gz PWUNZBAXRKQANF-UHFFFAOYSA-N 1 0 331.170 2.218 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@]2(O)CCCc3ccccc32)c1 ZINC001120580844 1309622391 /nfs/dbraw/zinc/62/23/91/1309622391.db2.gz FUFGEPHFLUZJCI-RBUKOAKNSA-N 1 0 342.395 2.442 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001122006596 1310198025 /nfs/dbraw/zinc/19/80/25/1310198025.db2.gz HOTFCECFBHWUQS-UHFFFAOYSA-N 1 0 332.404 2.067 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](NC1(C(F)(F)F)C[NH2+]C1)CC2 ZINC001246252448 1310267822 /nfs/dbraw/zinc/26/78/22/1310267822.db2.gz HZFGMRKPLATEHP-GFCCVEGCSA-N 1 0 329.322 2.336 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001248745055 1310929992 /nfs/dbraw/zinc/92/99/92/1310929992.db2.gz BUVGBMLZRWGYPG-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000839635744 1315224066 /nfs/dbraw/zinc/22/40/66/1315224066.db2.gz JSPQXIOIKUHHMX-RCCFBDPRSA-N 1 0 328.368 2.436 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000840150892 1315309884 /nfs/dbraw/zinc/30/98/84/1315309884.db2.gz AXGUICPAEFOUKL-HNNXBMFYSA-N 1 0 344.419 2.225 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000841162605 1315493554 /nfs/dbraw/zinc/49/35/54/1315493554.db2.gz XJXQNHAWUWOFRY-SNVBAGLBSA-N 1 0 343.181 2.216 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475954 1315712759 /nfs/dbraw/zinc/71/27/59/1315712759.db2.gz ZAAAGLAPAPQVNT-GFCCVEGCSA-N 1 0 328.800 2.150 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCCCC[NH3+])c1C ZINC000842920730 1315798827 /nfs/dbraw/zinc/79/88/27/1315798827.db2.gz BGUFRXPLVUOQLM-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000843339202 1315893491 /nfs/dbraw/zinc/89/34/91/1315893491.db2.gz YGWUMKHIOSPAQY-VIFPVBQESA-N 1 0 329.759 2.046 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001152986852 1316754287 /nfs/dbraw/zinc/75/42/87/1316754287.db2.gz VDPUTNZUUQYECL-AIDNBVJZSA-N 1 0 329.400 2.093 20 5 EEBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cn4)nc3c2)CC1 ZINC001251127631 1317422546 /nfs/dbraw/zinc/42/25/46/1317422546.db2.gz VNBFEGIFMMMWHO-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)c2c1 ZINC001155638379 1317683443 /nfs/dbraw/zinc/68/34/43/1317683443.db2.gz OXDCLNAELCQJFN-ZLDLUXBVSA-N 1 0 334.763 2.338 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001156386328 1317990130 /nfs/dbraw/zinc/99/01/30/1317990130.db2.gz ZIHWNOKUDOUTJZ-AMIZOPFISA-N 1 0 343.840 2.148 20 5 EEBDRO [NH3+]CCc1nccn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001156483401 1318034390 /nfs/dbraw/zinc/03/43/90/1318034390.db2.gz KIGDGQABKHDIPN-UHFFFAOYSA-N 1 0 327.319 2.483 20 5 EEBDRO Cn1cnc2c1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254482405 1318084036 /nfs/dbraw/zinc/08/40/36/1318084036.db2.gz IUOOKHMCHDFBCE-UHFFFAOYSA-N 1 0 341.415 2.355 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C(=O)NCc2ccccc21 ZINC001254539989 1318115548 /nfs/dbraw/zinc/11/55/48/1318115548.db2.gz OBUUYGINIVSRLF-SJCJKPOMSA-N 1 0 325.368 2.487 20 5 EEBDRO COC(=O)[C@H]1COCCC12C[NH+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254560532 1318121340 /nfs/dbraw/zinc/12/13/40/1318121340.db2.gz VCNVCCXIEYNPKU-DZGCQCFKSA-N 1 0 348.399 2.037 20 5 EEBDRO COc1ccc([C@@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577660 1318129081 /nfs/dbraw/zinc/12/90/81/1318129081.db2.gz GFXUOLPQNYYZKS-CRAIPNDOSA-N 1 0 328.368 2.394 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590385 1318137368 /nfs/dbraw/zinc/13/73/68/1318137368.db2.gz WOPKEJFWCXAXKN-RDJZCZTQSA-N 1 0 327.384 2.209 20 5 EEBDRO COC[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(C)nc21 ZINC001254594320 1318137387 /nfs/dbraw/zinc/13/73/87/1318137387.db2.gz DKYTVRNEGUYUNP-WBVHZDCISA-N 1 0 342.399 2.041 20 5 EEBDRO COC[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(C)nc21 ZINC001254594318 1318137487 /nfs/dbraw/zinc/13/74/87/1318137487.db2.gz DKYTVRNEGUYUNP-NVXWUHKLSA-N 1 0 342.399 2.041 20 5 EEBDRO O=C1CCCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254597111 1318138198 /nfs/dbraw/zinc/13/81/98/1318138198.db2.gz USEATNJWKGOKTO-INIZCTEOSA-N 1 0 329.400 2.197 20 5 EEBDRO CSc1nc(Cl)nc(N(C)[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156967795 1318316937 /nfs/dbraw/zinc/31/69/37/1318316937.db2.gz IELGVJDQRQMWMP-LBPRGKRZSA-N 1 0 331.829 2.338 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC001256084286 1318643315 /nfs/dbraw/zinc/64/33/15/1318643315.db2.gz YGRUOOQUPSPHBR-GDBMZVCRSA-N 1 0 335.404 2.075 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@]3(C)CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256092195 1318644835 /nfs/dbraw/zinc/64/48/35/1318644835.db2.gz HSXOUNORONYMTB-QGZVFWFLSA-N 1 0 335.404 2.341 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157896250 1318921560 /nfs/dbraw/zinc/92/15/60/1318921560.db2.gz AHNXYXCGKGKEGQ-UHFFFAOYSA-N 1 0 349.354 2.220 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001157895871 1318921624 /nfs/dbraw/zinc/92/16/24/1318921624.db2.gz XJWWUDAHWPGLFN-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO Cc1nc(CC[NH3+])nn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001158128449 1319032323 /nfs/dbraw/zinc/03/23/23/1319032323.db2.gz GTVVCURRMBUQHC-UHFFFAOYSA-N 1 0 332.751 2.187 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC4(C3)C[NH+](C)C4)nn2)cc1[N+](=O)[O-] ZINC001158865706 1319477813 /nfs/dbraw/zinc/47/78/13/1319477813.db2.gz AYXYOZNDUYCFPM-UHFFFAOYSA-N 1 0 325.372 2.112 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCCN2CCC(F)(F)CC2)c1 ZINC001160752809 1320258541 /nfs/dbraw/zinc/25/85/41/1320258541.db2.gz UNYUTYCKGHOTCH-UHFFFAOYSA-N 1 0 336.726 2.025 20 5 EEBDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2N)CC1 ZINC001161123677 1320394053 /nfs/dbraw/zinc/39/40/53/1320394053.db2.gz BIQSDJZSZXCJAL-UHFFFAOYSA-N 1 0 335.408 2.064 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161136525 1320398892 /nfs/dbraw/zinc/39/88/92/1320398892.db2.gz FVINXSQAUVLBCY-UHFFFAOYSA-N 1 0 343.387 2.354 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ncc(Cl)cc2[N+](=O)[O-])C2COC2)CC1 ZINC001161275592 1320442021 /nfs/dbraw/zinc/44/20/21/1320442021.db2.gz XFAPBISQTAGEKB-XYPYZODXSA-N 1 0 326.784 2.118 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@@H]1COCCC12C[NH2+]C2 ZINC001163069624 1321028073 /nfs/dbraw/zinc/02/80/73/1321028073.db2.gz PGVQXRMMFZSGRZ-CQSZACIVSA-N 1 0 332.335 2.073 20 5 EEBDRO NC1=CC=C(C2CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)[NH2+]C1 ZINC001163129814 1321046083 /nfs/dbraw/zinc/04/60/83/1321046083.db2.gz QRELSKYIQBIDPQ-UHFFFAOYSA-N 1 0 335.795 2.189 20 5 EEBDRO CN(CCC[NH+](C)C)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001163597307 1321166646 /nfs/dbraw/zinc/16/66/46/1321166646.db2.gz DAPHDHBFSPOXRL-UHFFFAOYSA-N 1 0 341.721 2.445 20 5 EEBDRO Cc1c(C)n(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])c2ccc(C[NH3+])cc12 ZINC001163756049 1321209992 /nfs/dbraw/zinc/20/99/92/1321209992.db2.gz QXFINFNRADHAAE-UHFFFAOYSA-N 1 0 330.319 2.387 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001164451821 1321383052 /nfs/dbraw/zinc/38/30/52/1321383052.db2.gz GLWSDZCRVNJCAF-UHFFFAOYSA-N 1 0 349.416 2.069 20 5 EEBDRO COCc1nn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2c1C[NH2+]C2 ZINC001165632689 1321556070 /nfs/dbraw/zinc/55/60/70/1321556070.db2.gz JKEFJJGCOPSHME-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001261263557 1322053413 /nfs/dbraw/zinc/05/34/13/1322053413.db2.gz MBPHKVRDLFVODL-RISCZKNCSA-N 1 0 340.221 2.493 20 5 EEBDRO Cc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc([N+](=O)[O-])c1 ZINC001263655628 1322499684 /nfs/dbraw/zinc/49/96/84/1322499684.db2.gz MZRHVEMURREODG-OAHLLOKOSA-N 1 0 338.433 2.462 20 5 EEBDRO O=C(NCC1CC1)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001307550517 1331539763 /nfs/dbraw/zinc/53/97/63/1331539763.db2.gz QJEFGPJJYWXOSW-INIZCTEOSA-N 1 0 347.415 2.057 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC001322870045 1333345402 /nfs/dbraw/zinc/34/54/02/1333345402.db2.gz WBSMYHOBSXNEEP-LBPRGKRZSA-N 1 0 341.383 2.205 20 5 EEBDRO C[N@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCCCC1 ZINC001609276021 1351918074 /nfs/dbraw/zinc/91/80/74/1351918074.db2.gz CCTYIIWROARNFE-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001331920677 1335676227 /nfs/dbraw/zinc/67/62/27/1335676227.db2.gz AQJQLCSLSSSAPU-HNNXBMFYSA-N 1 0 349.431 2.298 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001335539105 1336392299 /nfs/dbraw/zinc/39/22/99/1336392299.db2.gz FMEGMTUVSYPONQ-JECZMYCTSA-N 1 0 340.379 2.262 20 5 EEBDRO Cc1cccnc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915749 1336447723 /nfs/dbraw/zinc/44/77/23/1336447723.db2.gz BBJABTHOERPGDA-ZFWWWQNUSA-N 1 0 331.372 2.389 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001336707181 1336583496 /nfs/dbraw/zinc/58/34/96/1336583496.db2.gz ITRGCYSAMUFOJG-UHFFFAOYSA-N 1 0 349.840 2.009 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887389 1336748697 /nfs/dbraw/zinc/74/86/97/1336748697.db2.gz FJSPOEZKEFSXLO-BZNIZROVSA-N 1 0 344.415 2.382 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Cc1ccccc1 ZINC001341031710 1337276373 /nfs/dbraw/zinc/27/63/73/1337276373.db2.gz WVVJGWJAZQYQIU-CQSZACIVSA-N 1 0 343.383 2.164 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC001341776982 1337298302 /nfs/dbraw/zinc/29/83/02/1337298302.db2.gz DPMRJFDKTMHQRQ-HZPDHXFCSA-N 1 0 329.400 2.300 20 5 EEBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC001358331171 1339040206 /nfs/dbraw/zinc/04/02/06/1339040206.db2.gz QODOVJSDRRRVGN-DRQUAOQDSA-N 1 0 331.397 2.445 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001577308251 1344126545 /nfs/dbraw/zinc/12/65/45/1344126545.db2.gz KEGKNBCXZVYLKP-STQMWFEESA-N 1 0 329.360 2.312 20 5 EEBDRO C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CCCCC1 ZINC001579424684 1344380827 /nfs/dbraw/zinc/38/08/27/1344380827.db2.gz NKZSEWPPXNQABN-UHFFFAOYSA-N 1 0 345.407 2.418 20 5 EEBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001580289005 1344507165 /nfs/dbraw/zinc/50/71/65/1344507165.db2.gz IETQVVAVNRZYOW-LLVKDONJSA-N 1 0 326.356 2.270 20 5 EEBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590687466 1349389286 /nfs/dbraw/zinc/38/92/86/1349389286.db2.gz UXGWYGWKOWCVAW-NSHDSACASA-N 1 0 333.396 2.307 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000852713829 1369295930 /nfs/dbraw/zinc/29/59/30/1369295930.db2.gz PIGSANPMJSMICK-JKSUJKDBSA-N 1 0 338.310 2.230 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1=O ZINC001579948829 1403800470 /nfs/dbraw/zinc/80/04/70/1403800470.db2.gz WPMFOMFJDZSLKB-ZDUSSCGKSA-N 1 0 330.388 2.376 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001165041482 721932602 /nfs/dbraw/zinc/93/26/02/721932602.db2.gz ZFQBCVMHALQARW-UHFFFAOYSA-N 1 0 334.207 2.470 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C3CCCCC3)C2)nc1C1C[NH2+]C1 ZINC001167068178 757122645 /nfs/dbraw/zinc/12/26/45/757122645.db2.gz OUOVVDOSYAEIMS-ZDUSSCGKSA-N 1 0 331.420 2.478 20 5 EEBDRO CCc1oncc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167462343 759675800 /nfs/dbraw/zinc/67/58/00/759675800.db2.gz ORDHZBVXVBNFBO-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1cc([N+](=O)[O-])cn1 ZINC000173516399 765587431 /nfs/dbraw/zinc/58/74/31/765587431.db2.gz NRAVBSPQEIPQPO-MRXNPFEDSA-N 1 0 329.404 2.203 20 5 EEBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CC[NH3+] ZINC000846693527 790416395 /nfs/dbraw/zinc/41/63/95/790416395.db2.gz IKCAEKVQAREVMU-RISCZKNCSA-N 1 0 339.367 2.089 20 5 EEBDRO [NH3+]CCN(Cc1nccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000809734965 783319332 /nfs/dbraw/zinc/31/93/32/783319332.db2.gz OWVCFZACSQOGFK-UHFFFAOYSA-N 1 0 343.309 2.319 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001170872132 784820883 /nfs/dbraw/zinc/82/08/83/784820883.db2.gz OGTGZVMSYFVHIS-HGIUVPSYSA-N 1 0 339.779 2.150 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C2 ZINC000907764077 784848011 /nfs/dbraw/zinc/84/80/11/784848011.db2.gz RGUNGKNFTOLUOS-UHFFFAOYSA-N 1 0 327.743 2.165 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000818980789 785349787 /nfs/dbraw/zinc/34/97/87/785349787.db2.gz OAANTZOVDYUHDG-CQSZACIVSA-N 1 0 347.327 2.033 20 5 EEBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819262187 785497791 /nfs/dbraw/zinc/49/77/91/785497791.db2.gz KOPGMDSUCMLLPP-FZMZJTMJSA-N 1 0 339.392 2.131 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000112401327 785689218 /nfs/dbraw/zinc/68/92/18/785689218.db2.gz QPWZEDUNHHDVQN-UHFFFAOYSA-N 1 0 338.364 2.273 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])cc1C ZINC001107275460 786686106 /nfs/dbraw/zinc/68/61/06/786686106.db2.gz VNBOKYHCPBRHIS-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129317446 786893214 /nfs/dbraw/zinc/89/32/14/786893214.db2.gz ABSKDRDAYZWDPF-VXGBXAGGSA-N 1 0 339.367 2.155 20 5 EEBDRO C[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000822220725 787093859 /nfs/dbraw/zinc/09/38/59/787093859.db2.gz DTBBDRSAFKDQIX-UHFFFAOYSA-N 1 0 334.420 2.212 20 5 EEBDRO CC(C)(CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000823789638 787946652 /nfs/dbraw/zinc/94/66/52/787946652.db2.gz NLMODAPZOSJKOS-OAHLLOKOSA-N 1 0 335.404 2.009 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000923311747 789370245 /nfs/dbraw/zinc/37/02/45/789370245.db2.gz VQTREPFIBLNMNE-GXTWGEPZSA-N 1 0 335.429 2.382 20 5 EEBDRO O=C(CC[NH+]1CCCCC1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093686650 795555577 /nfs/dbraw/zinc/55/55/77/795555577.db2.gz ORUIMMFJRFBOBA-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO Cc1ccnc(NCCNC(=O)CC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC001094007242 795855359 /nfs/dbraw/zinc/85/53/59/795855359.db2.gz JPKPDSYSJKJJCD-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001094033223 795885751 /nfs/dbraw/zinc/88/57/51/795885751.db2.gz GKRQDFHXOUNSQR-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001110159106 796341747 /nfs/dbraw/zinc/34/17/47/796341747.db2.gz ZIAIXDWHYLCEED-UHFFFAOYSA-N 1 0 334.420 2.304 20 5 EEBDRO Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000444042376 796603085 /nfs/dbraw/zinc/60/30/85/796603085.db2.gz JGSDUDZOQJMHEQ-AWEZNQCLSA-N 1 0 343.387 2.418 20 5 EEBDRO COC(=O)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910095 797168600 /nfs/dbraw/zinc/16/86/00/797168600.db2.gz WWPUDMFOPSTECK-HNNXBMFYSA-N 1 0 333.388 2.226 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccco1 ZINC001172912714 797170589 /nfs/dbraw/zinc/17/05/89/797170589.db2.gz OPZHJTNNEZKCAZ-OAHLLOKOSA-N 1 0 343.383 2.341 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001173233971 797312650 /nfs/dbraw/zinc/31/26/50/797312650.db2.gz NHJQRYHPLBKOIG-ZDUSSCGKSA-N 1 0 345.399 2.045 20 5 EEBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235733 797312942 /nfs/dbraw/zinc/31/29/42/797312942.db2.gz YXEMZRXAWBQZQX-RHSMWYFYSA-N 1 0 349.431 2.143 20 5 EEBDRO Cc1ccc(CC[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001178458379 799484125 /nfs/dbraw/zinc/48/41/25/799484125.db2.gz DRQPYCQMKBBFPY-QZTJIDSGSA-N 1 0 347.459 2.469 20 5 EEBDRO CC1(C)CC(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001178464206 799486581 /nfs/dbraw/zinc/48/65/81/799486581.db2.gz QJQSADROAXDHLD-HUUCEWRRSA-N 1 0 325.453 2.354 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC001110319230 801266860 /nfs/dbraw/zinc/26/68/60/801266860.db2.gz REGMGCISKDSLLS-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946589044 801552179 /nfs/dbraw/zinc/55/21/79/801552179.db2.gz BZQYRYNUMCBRKG-XMTFNYHQSA-N 1 0 349.475 2.402 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922871795 802101998 /nfs/dbraw/zinc/10/19/98/802101998.db2.gz ZSQACWLHUDTPCP-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)on1 ZINC001086306943 802705584 /nfs/dbraw/zinc/70/55/84/802705584.db2.gz BZPGSGIOTVALFK-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168746447 802942348 /nfs/dbraw/zinc/94/23/48/802942348.db2.gz QDGKAXDDMMIZHD-UHFFFAOYSA-N 1 0 335.408 2.284 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](F)(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168962383 803551186 /nfs/dbraw/zinc/55/11/86/803551186.db2.gz MDNNIWZIFLWHPS-XEZPLFJOSA-N 1 0 345.415 2.371 20 5 EEBDRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967696 803553254 /nfs/dbraw/zinc/55/32/54/803553254.db2.gz SNNDZLPIZVFRQE-YOEHRIQHSA-N 1 0 331.416 2.326 20 5 EEBDRO Nc1ccnc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC001168993651 803561347 /nfs/dbraw/zinc/56/13/47/803561347.db2.gz LOCMEVCMWQNVEA-UHFFFAOYSA-N 1 0 346.778 2.456 20 5 EEBDRO COc1cccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168997059 803562849 /nfs/dbraw/zinc/56/28/49/803562849.db2.gz BLASXKIOFXVGMJ-HUUCEWRRSA-N 1 0 349.431 2.173 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010127 803570622 /nfs/dbraw/zinc/57/06/22/803570622.db2.gz BJNSAHSDLZKJCM-LJISPDSOSA-N 1 0 339.436 2.373 20 5 EEBDRO O=C(c1cccc(F)c1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991273 803574417 /nfs/dbraw/zinc/57/44/17/803574417.db2.gz GDCLTKFODZVQOC-GUYCJALGSA-N 1 0 349.406 2.465 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038442 803582201 /nfs/dbraw/zinc/58/22/01/803582201.db2.gz YWEPFXYCXPBGKH-RDBSUJKOSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)CC(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169041674 803584137 /nfs/dbraw/zinc/58/41/37/803584137.db2.gz BYUQUXAZDOIPEM-DZGCQCFKSA-N 1 0 325.453 2.449 20 5 EEBDRO Cn1nc(COCC2CC2)c2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023670 803589657 /nfs/dbraw/zinc/58/96/57/803589657.db2.gz PJSYMOSTMAEFOO-GJZGRUSLSA-N 1 0 348.447 2.150 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)C1 ZINC001169025829 803591419 /nfs/dbraw/zinc/59/14/19/803591419.db2.gz ZCMYEKMCSAQXHL-INMHGKMJSA-N 1 0 346.431 2.261 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncccc1F ZINC001169158752 803640350 /nfs/dbraw/zinc/64/03/50/803640350.db2.gz ATGSGEKUSYVKQB-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)cc2cc[nH]c21 ZINC001169242700 803667145 /nfs/dbraw/zinc/66/71/45/803667145.db2.gz UWPFNZJZJOQFNC-UHFFFAOYSA-N 1 0 326.360 2.378 20 5 EEBDRO C[NH+](C)CCOc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000787965299 807319476 /nfs/dbraw/zinc/31/94/76/807319476.db2.gz DKWRCMXFQHREMK-UHFFFAOYSA-N 1 0 345.355 2.287 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc([N+](=O)[O-])c1C ZINC000790333168 808628543 /nfs/dbraw/zinc/62/85/43/808628543.db2.gz KKIXLZMEHYINIX-CQSZACIVSA-N 1 0 336.461 2.352 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170278285 809876797 /nfs/dbraw/zinc/87/67/97/809876797.db2.gz WHGCQHFYUVICQG-OAGGEKHMSA-N 1 0 339.392 2.049 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn(CCF)cn2)c([N+](=O)[O-])c1 ZINC001170325921 809891623 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JDFCPCOTGIDXIM-QWHCGFSZSA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH2+]CCCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000121661471 290655328 /nfs/dbraw/zinc/65/53/28/290655328.db2.gz QIKDBDZJOQEUAE-OKILXGFUSA-N 1 0 348.447 2.416 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000066125474 215014173 /nfs/dbraw/zinc/01/41/73/215014173.db2.gz BTKIIBQNWLUYTP-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129274815 223038123 /nfs/dbraw/zinc/03/81/23/223038123.db2.gz WSHSMRORQGGOPA-WCQYABFASA-N 1 0 339.367 2.298 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000193935859 240368582 /nfs/dbraw/zinc/36/85/82/240368582.db2.gz UTYDBUHYKXEUSN-MRXNPFEDSA-N 1 0 325.368 2.268 20 5 EEBDRO COCCN(C)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000190955619 238821872 /nfs/dbraw/zinc/82/18/72/238821872.db2.gz CSNYJLFNZOODHZ-UHFFFAOYSA-N 1 0 344.415 2.405 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCS(C)(=O)=O ZINC000424167169 240855357 /nfs/dbraw/zinc/85/53/57/240855357.db2.gz BYGOUERFOZAAHY-JLHYYAGUSA-N 1 0 326.418 2.413 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429409455 241759279 /nfs/dbraw/zinc/75/92/79/241759279.db2.gz YDZXPANDBDSPFM-MXWKQRLJSA-N 1 0 341.795 2.224 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000229868264 242211202 /nfs/dbraw/zinc/21/12/02/242211202.db2.gz YVOQNENHXLNBCJ-OCCSQVGLSA-N 1 0 328.372 2.433 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236892639 242401052 /nfs/dbraw/zinc/40/10/52/242401052.db2.gz NGZJIROXZRMFFF-ZDUSSCGKSA-N 1 0 331.376 2.028 20 5 EEBDRO CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449069376 242486077 /nfs/dbraw/zinc/48/60/77/242486077.db2.gz GCKSOXIMPOSELC-MAUKXSAKSA-N 1 0 335.448 2.472 20 5 EEBDRO CCc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000245408293 243107289 /nfs/dbraw/zinc/10/72/89/243107289.db2.gz GNKIWDZOKOVZEZ-BBRMVZONSA-N 1 0 349.431 2.074 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246142885 243199884 /nfs/dbraw/zinc/19/98/84/243199884.db2.gz DWAOXYSIRGHJOZ-CJNGLKHVSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000451703458 243216533 /nfs/dbraw/zinc/21/65/33/243216533.db2.gz DVBRCHLNDREIHX-MRXNPFEDSA-N 1 0 343.431 2.245 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491829119 246170938 /nfs/dbraw/zinc/17/09/38/246170938.db2.gz XTOSREBWMRISNU-VMPITWQZSA-N 1 0 347.415 2.177 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094782 246298249 /nfs/dbraw/zinc/29/82/49/246298249.db2.gz KROYPRVTWHEKOV-WLMCBFPDSA-N 1 0 335.429 2.162 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)Cn1cccn1 ZINC000265020440 247140661 /nfs/dbraw/zinc/14/06/61/247140661.db2.gz DURQCMDWNMPJAI-CYBMUJFWSA-N 1 0 331.376 2.107 20 5 EEBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265282030 247369475 /nfs/dbraw/zinc/36/94/75/247369475.db2.gz ZLFUEVWPONMXFD-NVXWUHKLSA-N 1 0 347.415 2.109 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000266010131 248026010 /nfs/dbraw/zinc/02/60/10/248026010.db2.gz PYBWCZPVELHDQJ-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO O=C1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181170 296343687 /nfs/dbraw/zinc/34/36/87/296343687.db2.gz WPQOUXLCEHVVFB-GDBMZVCRSA-N 1 0 329.400 2.269 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269176525 255540193 /nfs/dbraw/zinc/54/01/93/255540193.db2.gz HBOFWIOYZYRFOK-HIFRSBDPSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1nn(CCC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000178262253 255902998 /nfs/dbraw/zinc/90/29/98/255902998.db2.gz MGKJVAWPAKGFJB-JTQLQIEISA-N 1 0 331.376 2.457 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267863922 256092699 /nfs/dbraw/zinc/09/26/99/256092699.db2.gz BCEPWZNEJVFYNZ-JSGCOSHPSA-N 1 0 332.404 2.062 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000270447082 256136484 /nfs/dbraw/zinc/13/64/84/256136484.db2.gz DTUWHBQJGKFNAD-NVXWUHKLSA-N 1 0 346.431 2.263 20 5 EEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491568 256140431 /nfs/dbraw/zinc/14/04/31/256140431.db2.gz MIMYLOVIBUQDLJ-CSMYWGQOSA-N 1 0 345.399 2.471 20 5 EEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000268137711 256117301 /nfs/dbraw/zinc/11/73/01/256117301.db2.gz JVGBSBLQESMCRK-YPMHNXCESA-N 1 0 328.376 2.042 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000270736337 256166393 /nfs/dbraw/zinc/16/63/93/256166393.db2.gz KLAKHTMHMWFERE-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137638 256211657 /nfs/dbraw/zinc/21/16/57/256211657.db2.gz NPWMZRNVXUKWDU-UKRRQHHQSA-N 1 0 337.420 2.365 20 5 EEBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC[NH2+]C1 ZINC000272938399 256250801 /nfs/dbraw/zinc/25/08/01/256250801.db2.gz BQNYBJQYOWSSOD-GOSISDBHSA-N 1 0 346.431 2.315 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000273602542 256310888 /nfs/dbraw/zinc/31/08/88/256310888.db2.gz JTCHHUNLAWGWIQ-OAHLLOKOSA-N 1 0 327.388 2.486 20 5 EEBDRO Cc1cc(N2CCC[C@@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274095015 256353414 /nfs/dbraw/zinc/35/34/14/256353414.db2.gz UXFJQBAKHHDVER-CYBMUJFWSA-N 1 0 349.412 2.465 20 5 EEBDRO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276934734 256480983 /nfs/dbraw/zinc/48/09/83/256480983.db2.gz RMWXPZXJROANEF-UHFFFAOYSA-N 1 0 337.420 2.148 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000154469166 533226104 /nfs/dbraw/zinc/22/61/04/533226104.db2.gz AAAZCPJQTUMQJG-UHFFFAOYSA-N 1 0 346.387 2.472 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119777715 221398542 /nfs/dbraw/zinc/39/85/42/221398542.db2.gz DGZDOTFNCQEJAM-CQSZACIVSA-N 1 0 335.404 2.068 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000356623198 141028162 /nfs/dbraw/zinc/02/81/62/141028162.db2.gz UCKMYKSMZXGGRO-UHFFFAOYSA-N 1 0 347.346 2.301 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165850566 143820390 /nfs/dbraw/zinc/82/03/90/143820390.db2.gz XSOAHQFTGVGRPO-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000122649551 292274865 /nfs/dbraw/zinc/27/48/65/292274865.db2.gz GQHNMLNLUGGOAU-HNNXBMFYSA-N 1 0 332.404 2.147 20 5 EEBDRO CCN(CCO)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249068428 160372896 /nfs/dbraw/zinc/37/28/96/160372896.db2.gz ZUXWNENINLTYIE-RDJZCZTQSA-N 1 0 335.448 2.210 20 5 EEBDRO Cc1c([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000128063790 292335534 /nfs/dbraw/zinc/33/55/34/292335534.db2.gz XEVJBKMAVLLYHI-CABCVRRESA-N 1 0 348.447 2.141 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293638 159150936 /nfs/dbraw/zinc/15/09/36/159150936.db2.gz MZYLRGHMHYFISB-HNNXBMFYSA-N 1 0 347.415 2.354 20 5 EEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000126713671 159492114 /nfs/dbraw/zinc/49/21/14/159492114.db2.gz HWVMRWXENAOUNO-UHFFFAOYSA-N 1 0 349.435 2.096 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)cc1OC(F)F ZINC000174738927 159815406 /nfs/dbraw/zinc/81/54/06/159815406.db2.gz RTFDBFAGDQPJBL-UHFFFAOYSA-N 1 0 345.346 2.312 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246969917 160303599 /nfs/dbraw/zinc/30/35/99/160303599.db2.gz XUCZUSAYRPPPSE-BBRMVZONSA-N 1 0 333.388 2.424 20 5 EEBDRO CC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248442717 160346111 /nfs/dbraw/zinc/34/61/11/160346111.db2.gz FGANQTISTCPMGQ-OLZOCXBDSA-N 1 0 326.418 2.162 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@@H](c2ccco2)C1 ZINC000248456289 160347427 /nfs/dbraw/zinc/34/74/27/160347427.db2.gz LMSCMZSFEAXERQ-CXAGYDPISA-N 1 0 348.355 2.001 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000341943924 161026205 /nfs/dbraw/zinc/02/62/05/161026205.db2.gz OMRSDAZXEZHKOY-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)C ZINC000344936138 161257390 /nfs/dbraw/zinc/25/73/90/161257390.db2.gz QKZFCVZHBUCBMW-UHFFFAOYSA-N 1 0 329.422 2.141 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000346326223 161363421 /nfs/dbraw/zinc/36/34/21/161363421.db2.gz KDEVABHUHBRQRJ-IOASZLSFSA-N 1 0 334.420 2.384 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](F)C[C@H]3CO)o2)c1 ZINC000346394838 161369118 /nfs/dbraw/zinc/36/91/18/161369118.db2.gz HWZFBZJWXPNUOD-JSGCOSHPSA-N 1 0 335.335 2.197 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CO)C1CCCC1 ZINC000352678579 162242128 /nfs/dbraw/zinc/24/21/28/162242128.db2.gz NYNRZWQIHQSKBJ-AWEZNQCLSA-N 1 0 349.387 2.034 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000367928891 166022122 /nfs/dbraw/zinc/02/21/22/166022122.db2.gz UGVUMFDCOPFOSP-UHFFFAOYSA-N 1 0 333.388 2.098 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)C3CCOCC3)co2)cc1 ZINC000359879784 164189977 /nfs/dbraw/zinc/18/99/77/164189977.db2.gz UOTZWJIKNGDFCX-INIZCTEOSA-N 1 0 347.371 2.127 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000368613084 166090916 /nfs/dbraw/zinc/09/09/16/166090916.db2.gz MIDNELHVVCUPSU-MELADBBJSA-N 1 0 333.388 2.193 20 5 EEBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)[C@H]1OC ZINC000248854124 292642755 /nfs/dbraw/zinc/64/27/55/292642755.db2.gz VJEIVHASTCTOQL-APHBMKBZSA-N 1 0 337.420 2.186 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237892251 268664642 /nfs/dbraw/zinc/66/46/42/268664642.db2.gz BWKXDKZVBQKMPX-ZIAGYGMSSA-N 1 0 334.420 2.421 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000272715067 269011705 /nfs/dbraw/zinc/01/17/05/269011705.db2.gz WDLBHHRUTFXGHL-ZACQAIPSSA-N 1 0 336.388 2.420 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1c(F)cc([N+](=O)[O-])cc1F ZINC000269661858 274116437 /nfs/dbraw/zinc/11/64/37/274116437.db2.gz ULGZPKOYUHPUGN-UHFFFAOYSA-N 1 0 329.332 2.137 20 5 EEBDRO C[C@@H]1CC2(CN1C(=O)CCNc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424221216 274284073 /nfs/dbraw/zinc/28/40/73/274284073.db2.gz GLXMKNDERBVUAT-CQSZACIVSA-N 1 0 346.431 2.387 20 5 EEBDRO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360047987 274707096 /nfs/dbraw/zinc/70/70/96/274707096.db2.gz PBOTXADDBHHAHA-LLVKDONJSA-N 1 0 347.337 2.425 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](c2nncn2C)C(C)C)c([N+](=O)[O-])c1 ZINC000285368512 274719484 /nfs/dbraw/zinc/71/94/84/274719484.db2.gz MHEAEFBYMBMZLB-HNNXBMFYSA-N 1 0 349.391 2.098 20 5 EEBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000285505625 274743400 /nfs/dbraw/zinc/74/34/00/274743400.db2.gz JLFYSQCIWXFOHK-INIZCTEOSA-N 1 0 337.376 2.091 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285899710 274811570 /nfs/dbraw/zinc/81/15/70/274811570.db2.gz CURVIEOZVYZNAU-GLKRBJQHSA-N 1 0 332.404 2.285 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287209393 274944921 /nfs/dbraw/zinc/94/49/21/274944921.db2.gz NNHVEZXTPUGPGV-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO C[NH+](C)CCCOc1cnccc1CNc1ncccc1[N+](=O)[O-] ZINC000288188053 275033067 /nfs/dbraw/zinc/03/30/67/275033067.db2.gz JNQBAEIRBPRWPH-UHFFFAOYSA-N 1 0 331.376 2.327 20 5 EEBDRO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000289315364 275109106 /nfs/dbraw/zinc/10/91/06/275109106.db2.gz DDCDKPYJUYJWCE-PHIMTYICSA-N 1 0 335.335 2.258 20 5 EEBDRO CC(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000290487517 275211715 /nfs/dbraw/zinc/21/17/15/275211715.db2.gz IUBVKXBOSBMPDS-CQSZACIVSA-N 1 0 349.435 2.257 20 5 EEBDRO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[N@@H+]1C1CC1 ZINC000290525954 275215245 /nfs/dbraw/zinc/21/52/45/275215245.db2.gz CVFKUGADKXLFLL-ZJUUUORDSA-N 1 0 329.360 2.281 20 5 EEBDRO C[NH+](C)C1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCCCC1 ZINC000290531439 275215826 /nfs/dbraw/zinc/21/58/26/275215826.db2.gz OENXFQSBUNMBHK-UHFFFAOYSA-N 1 0 335.408 2.155 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291223925 275283880 /nfs/dbraw/zinc/28/38/80/275283880.db2.gz LSXCRVSCJGBVSW-LBPRGKRZSA-N 1 0 339.392 2.289 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264938916 275966142 /nfs/dbraw/zinc/96/61/42/275966142.db2.gz HMJHLASBHUDASF-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000265055993 276314469 /nfs/dbraw/zinc/31/44/69/276314469.db2.gz RCFFNISDPYQNLW-UHFFFAOYSA-N 1 0 329.784 2.280 20 5 EEBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000449678463 276731816 /nfs/dbraw/zinc/73/18/16/276731816.db2.gz PVMUTGUZCNYIMU-UHFFFAOYSA-N 1 0 341.795 2.357 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768488 276846571 /nfs/dbraw/zinc/84/65/71/276846571.db2.gz MJVGUYDIMWTPDL-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[NH+](C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccsc1 ZINC000420590644 276866411 /nfs/dbraw/zinc/86/64/11/276866411.db2.gz VZYAEVCWXDXGGY-CYBMUJFWSA-N 1 0 334.401 2.470 20 5 EEBDRO CNC(=O)c1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374990409 277017237 /nfs/dbraw/zinc/01/72/37/277017237.db2.gz SXLYWJPCKMBEHS-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344980746 277180444 /nfs/dbraw/zinc/18/04/44/277180444.db2.gz WLYGBNMQVPYTOJ-HUUCEWRRSA-N 1 0 325.796 2.153 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078617548 277661232 /nfs/dbraw/zinc/66/12/32/277661232.db2.gz RMCFEVAWZFCDEH-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000357315119 277765284 /nfs/dbraw/zinc/76/52/84/277765284.db2.gz NBNNZCJLKJAHEP-IIYDPXPESA-N 1 0 346.431 2.311 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000423684142 278007648 /nfs/dbraw/zinc/00/76/48/278007648.db2.gz XGEQDLDBRZNKFR-HNNXBMFYSA-N 1 0 341.367 2.220 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245449848 279152299 /nfs/dbraw/zinc/15/22/99/279152299.db2.gz OBOFJWURNKSDPT-CZUORRHYSA-N 1 0 334.420 2.338 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000190856211 279179408 /nfs/dbraw/zinc/17/94/08/279179408.db2.gz PMEVPGYZUGKXAY-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964528 280334702 /nfs/dbraw/zinc/33/47/02/280334702.db2.gz PNKJHDCIJNKAFM-CJNGLKHVSA-N 1 0 335.404 2.129 20 5 EEBDRO C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293234086 293158004 /nfs/dbraw/zinc/15/80/04/293158004.db2.gz HIRKKMSLKNNDDP-QZTJIDSGSA-N 1 0 330.384 2.164 20 5 EEBDRO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570234 293241524 /nfs/dbraw/zinc/24/15/24/293241524.db2.gz DJVINWTZMAFMOE-GFCCVEGCSA-N 1 0 334.420 2.476 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293743533 293284520 /nfs/dbraw/zinc/28/45/20/293284520.db2.gz VEMFSIKEUHUAQA-UHFFFAOYSA-N 1 0 332.360 2.096 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296885076 294093310 /nfs/dbraw/zinc/09/33/10/294093310.db2.gz CORLVCYMRRUTAF-GOOCMWNKSA-N 1 0 332.404 2.361 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423250450 294414348 /nfs/dbraw/zinc/41/43/48/294414348.db2.gz QGFLKJNHCFPZER-CJNGLKHVSA-N 1 0 329.404 2.007 20 5 EEBDRO COc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301397834 294853057 /nfs/dbraw/zinc/85/30/57/294853057.db2.gz OBKGWOFEXHXCRM-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423539776 302991889 /nfs/dbraw/zinc/99/18/89/302991889.db2.gz PHOZJLLRLSCWIO-KRWDZBQOSA-N 1 0 341.415 2.317 20 5 EEBDRO COc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000331523091 311865701 /nfs/dbraw/zinc/86/57/01/311865701.db2.gz ZJFIKBBGJNIDKV-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924854 312387944 /nfs/dbraw/zinc/38/79/44/312387944.db2.gz MCPHDHFCQSJHSD-MZBDJJRSSA-N 1 0 346.431 2.399 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000413182480 312813353 /nfs/dbraw/zinc/81/33/53/312813353.db2.gz XPRVKYDGFOCNOB-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415509656 313137322 /nfs/dbraw/zinc/13/73/22/313137322.db2.gz XAVHQVBIHGNMMA-QJPTWQEYSA-N 1 0 334.376 2.113 20 5 EEBDRO C[C@@H](C[NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418095402 313710721 /nfs/dbraw/zinc/71/07/21/313710721.db2.gz VTGVCLNPNQAONE-QMMMGPOBSA-N 1 0 334.298 2.008 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000418527082 313838231 /nfs/dbraw/zinc/83/82/31/313838231.db2.gz OWJFEOVXMIXYEL-CQSZACIVSA-N 1 0 332.404 2.365 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000421707204 314146567 /nfs/dbraw/zinc/14/65/67/314146567.db2.gz WWBDQVGNTJUPGC-HNNXBMFYSA-N 1 0 330.388 2.102 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012657 314320256 /nfs/dbraw/zinc/32/02/56/314320256.db2.gz PQLRNDBZSNUUMT-GOEBONIOSA-N 1 0 340.383 2.269 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430565827 314547262 /nfs/dbraw/zinc/54/72/62/314547262.db2.gz GPCUQHPCXVWJKA-QWRGUYRKSA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000439470145 315079787 /nfs/dbraw/zinc/07/97/87/315079787.db2.gz NHYNKHMOMMOFDA-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000440072604 315110572 /nfs/dbraw/zinc/11/05/72/315110572.db2.gz CMXFMAKEJNNRRY-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000444271414 315286748 /nfs/dbraw/zinc/28/67/48/315286748.db2.gz RPTVZDZGZHSWHT-GFCCVEGCSA-N 1 0 341.795 2.275 20 5 EEBDRO CCc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000516181639 316541321 /nfs/dbraw/zinc/54/13/21/316541321.db2.gz OQHHSKSQHMTOBW-UHFFFAOYSA-N 1 0 349.412 2.094 20 5 EEBDRO Cc1cc(NCCN2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543959345 318177690 /nfs/dbraw/zinc/17/76/90/318177690.db2.gz QNJMTEAGLNSTGA-CYBMUJFWSA-N 1 0 330.388 2.006 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000547751917 318319217 /nfs/dbraw/zinc/31/92/17/318319217.db2.gz JFYBSVGAUVQUSQ-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO C[C@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000562817247 318934882 /nfs/dbraw/zinc/93/48/82/318934882.db2.gz UNGCCWYLJYQBGH-KRWDZBQOSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C(CC[NH2+]C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000563415649 319009114 /nfs/dbraw/zinc/00/91/14/319009114.db2.gz DUOOFKAVNLZHIE-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000563610256 319029658 /nfs/dbraw/zinc/02/96/58/319029658.db2.gz MDVNYIQZEXQITH-HNNXBMFYSA-N 1 0 334.420 2.298 20 5 EEBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000564861158 319119196 /nfs/dbraw/zinc/11/91/96/319119196.db2.gz YNMPZEOPRPHTQZ-OAHLLOKOSA-N 1 0 331.372 2.136 20 5 EEBDRO COc1ccc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000565172524 319156525 /nfs/dbraw/zinc/15/65/25/319156525.db2.gz OTTNEUBDGCKXAN-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO CC1(C)C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000566122490 319248096 /nfs/dbraw/zinc/24/80/96/319248096.db2.gz NBASEZKBDSPREY-UONOGXRCSA-N 1 0 338.404 2.129 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000566751825 319318233 /nfs/dbraw/zinc/31/82/33/319318233.db2.gz PCOLJVQLXULHHV-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])CC(C)C)cc1OC ZINC000568381316 319483090 /nfs/dbraw/zinc/48/30/90/319483090.db2.gz FXDIAXFDBRSACJ-NSHDSACASA-N 1 0 339.392 2.105 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000574838752 320061650 /nfs/dbraw/zinc/06/16/50/320061650.db2.gz MGOPMDYLUKEGKM-CYBMUJFWSA-N 1 0 333.388 2.207 20 5 EEBDRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1CC(F)(F)F ZINC000575328980 320101181 /nfs/dbraw/zinc/10/11/81/320101181.db2.gz BRCMUDAOPSGJHE-VXGBXAGGSA-N 1 0 343.305 2.335 20 5 EEBDRO C[N@H+](CCC1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996920 323361270 /nfs/dbraw/zinc/36/12/70/323361270.db2.gz DSYJHGDIDPWRSB-OAHLLOKOSA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 ZINC000182807294 323389144 /nfs/dbraw/zinc/38/91/44/323389144.db2.gz RXDGEGBLZXBRBZ-RYUDHWBXSA-N 1 0 334.351 2.486 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000183362383 323405747 /nfs/dbraw/zinc/40/57/47/323405747.db2.gz CHFMNTVWPLLKJV-LLVKDONJSA-N 1 0 331.376 2.234 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccccc1C ZINC000578879812 323727547 /nfs/dbraw/zinc/72/75/47/323727547.db2.gz KISLKKBZORZHHM-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606163 448915554 /nfs/dbraw/zinc/91/55/54/448915554.db2.gz KWCUPWBOYAXGSY-JHJVBQTASA-N 1 0 347.419 2.049 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606165 448916759 /nfs/dbraw/zinc/91/67/59/448916759.db2.gz KWCUPWBOYAXGSY-XQQFMLRXSA-N 1 0 347.419 2.049 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000120574272 463013632 /nfs/dbraw/zinc/01/36/32/463013632.db2.gz QZYKWNFTUYJLRQ-KGLIPLIRSA-N 1 0 335.404 2.162 20 5 EEBDRO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000325863341 465032802 /nfs/dbraw/zinc/03/28/02/465032802.db2.gz IZVCZLUXXRBJRW-KGLIPLIRSA-N 1 0 332.404 2.383 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351169882 465086264 /nfs/dbraw/zinc/08/62/64/465086264.db2.gz RJJGTDNGGXMBNT-WFASDCNBSA-N 1 0 349.435 2.202 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)[C@@H]2CCCO2)c1 ZINC000339140853 465106057 /nfs/dbraw/zinc/10/60/57/465106057.db2.gz OARQDKBOIXCBBA-OLZOCXBDSA-N 1 0 334.294 2.243 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000354795482 465159505 /nfs/dbraw/zinc/15/95/05/465159505.db2.gz WQORJMZFKMFPKH-ZDUSSCGKSA-N 1 0 340.387 2.343 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCO[C@@H]2CCOC2)n1 ZINC000351503192 465190000 /nfs/dbraw/zinc/19/00/00/465190000.db2.gz PFNULBFQGNPPKF-RBSFLKMASA-N 1 0 338.408 2.060 20 5 EEBDRO COC(=O)Cc1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000296504211 465216242 /nfs/dbraw/zinc/21/62/42/465216242.db2.gz LSNZUIJVJNZNEC-UHFFFAOYSA-N 1 0 333.388 2.349 20 5 EEBDRO COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000355201559 465233033 /nfs/dbraw/zinc/23/30/33/465233033.db2.gz BGSRYUUMNHZPHH-RVKKMQEKSA-N 1 0 349.431 2.287 20 5 EEBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590570719 468275205 /nfs/dbraw/zinc/27/52/05/468275205.db2.gz WTLXYCFBYNRMBE-UHFFFAOYSA-N 1 0 327.388 2.203 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134023 462592061 /nfs/dbraw/zinc/59/20/61/462592061.db2.gz USMXJGXSMQXQCR-CYBMUJFWSA-N 1 0 344.415 2.147 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000063852398 462678053 /nfs/dbraw/zinc/67/80/53/462678053.db2.gz PRIFNJPQMVUKEH-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO CCOc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046878211 462713372 /nfs/dbraw/zinc/71/33/72/462713372.db2.gz XYBKAZWCIHKQDU-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000115807716 462729566 /nfs/dbraw/zinc/72/95/66/462729566.db2.gz ARKSKJXFUQZDSK-OAHLLOKOSA-N 1 0 334.420 2.121 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116129635 462742773 /nfs/dbraw/zinc/74/27/73/462742773.db2.gz PXNDQWLTONTMCI-HNNXBMFYSA-N 1 0 337.420 2.456 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000116302030 462751430 /nfs/dbraw/zinc/75/14/30/462751430.db2.gz ZRBGEJQOYSMOMF-GOSISDBHSA-N 1 0 342.395 2.435 20 5 EEBDRO O=C(C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000065532309 462791158 /nfs/dbraw/zinc/79/11/58/462791158.db2.gz KHKIAIALMSRRMF-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048267653 462883054 /nfs/dbraw/zinc/88/30/54/462883054.db2.gz QALOXYGYEGJDRA-STQMWFEESA-N 1 0 334.420 2.396 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000155392769 462886083 /nfs/dbraw/zinc/88/60/83/462886083.db2.gz XUCZUSAYRPPPSE-CJNGLKHVSA-N 1 0 333.388 2.424 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076836136 462915511 /nfs/dbraw/zinc/91/55/11/462915511.db2.gz FMZFXPGBUWUVJD-UHFFFAOYSA-N 1 0 342.403 2.352 20 5 EEBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000049076530 462952300 /nfs/dbraw/zinc/95/23/00/462952300.db2.gz UUPPDEKQVRXIDP-UHFFFAOYSA-N 1 0 334.420 2.492 20 5 EEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000156362497 463013340 /nfs/dbraw/zinc/01/33/40/463013340.db2.gz LUXQCIFNNCDPEC-LBPRGKRZSA-N 1 0 332.360 2.036 20 5 EEBDRO CCCNC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051402395 463035304 /nfs/dbraw/zinc/03/53/04/463035304.db2.gz HMEMHSVTLRLYOO-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157089185 463097889 /nfs/dbraw/zinc/09/78/89/463097889.db2.gz VMKWKYVBTJSBQX-HUUCEWRRSA-N 1 0 347.415 2.306 20 5 EEBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000068352342 463126219 /nfs/dbraw/zinc/12/62/19/463126219.db2.gz CXTXOJNLKXFTKK-ZJUUUORDSA-N 1 0 329.784 2.082 20 5 EEBDRO Cc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000121884948 463211511 /nfs/dbraw/zinc/21/15/11/463211511.db2.gz ASIJIWSBIIKOIM-UHFFFAOYSA-N 1 0 340.383 2.256 20 5 EEBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000028727109 463231569 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335.404 2.129 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000126608641 463652271 /nfs/dbraw/zinc/65/22/71/463652271.db2.gz GEFSNJBILZYEBG-BBRMVZONSA-N 1 0 344.415 2.266 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000127134925 463684022 /nfs/dbraw/zinc/68/40/22/463684022.db2.gz TZAIPRQDZGNZBQ-GFCCVEGCSA-N 1 0 332.404 2.465 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152428583 463689619 /nfs/dbraw/zinc/68/96/19/463689619.db2.gz CPEQNJHXMIYQMW-AWEZNQCLSA-N 1 0 334.420 2.115 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000170774762 463704052 /nfs/dbraw/zinc/70/40/52/463704052.db2.gz WHDUKOQKRYRBBV-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000286811311 463711840 /nfs/dbraw/zinc/71/18/40/463711840.db2.gz UFNGAOVRVJWDNZ-WMLDXEAASA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000286869656 463729457 /nfs/dbraw/zinc/72/94/57/463729457.db2.gz CQVJNGFNRRKWMT-ZDUSSCGKSA-N 1 0 334.420 2.261 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185817887 463885698 /nfs/dbraw/zinc/88/56/98/463885698.db2.gz ZAKWKHASAVZQBZ-NSHDSACASA-N 1 0 340.811 2.389 20 5 EEBDRO CCNC(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)CCC1 ZINC000277170781 463896972 /nfs/dbraw/zinc/89/69/72/463896972.db2.gz HTFNKPAUUFLLFQ-UHFFFAOYSA-N 1 0 335.404 2.390 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000178721881 463951934 /nfs/dbraw/zinc/95/19/34/463951934.db2.gz QGCHZJUJKUQEQQ-FQEVSTJZSA-N 1 0 337.423 2.430 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269457940 463991690 /nfs/dbraw/zinc/99/16/90/463991690.db2.gz HFZYQRMXJKQTQB-GFCCVEGCSA-N 1 0 337.424 2.245 20 5 EEBDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269725254 464071753 /nfs/dbraw/zinc/07/17/53/464071753.db2.gz VQSKIGSMSBJFHL-QGZVFWFLSA-N 1 0 344.415 2.316 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262605 464083147 /nfs/dbraw/zinc/08/31/47/464083147.db2.gz MKBMXIYQONJGBT-NUEKZKHPSA-N 1 0 345.399 2.131 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(O)CCCC1 ZINC000269811535 464102915 /nfs/dbraw/zinc/10/29/15/464102915.db2.gz MGTOXJCUWFGXOX-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000270089342 464183125 /nfs/dbraw/zinc/18/31/25/464183125.db2.gz JUKUFQWKFXJLPI-CQSZACIVSA-N 1 0 346.431 2.289 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cn1 ZINC000591037887 468398137 /nfs/dbraw/zinc/39/81/37/468398137.db2.gz BYXCSTLTZBBIRX-JKSUJKDBSA-N 1 0 343.387 2.095 20 5 EEBDRO CCC[NH+](CCC)CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000263926471 464242429 /nfs/dbraw/zinc/24/24/29/464242429.db2.gz FNVMPCRIUFAGRU-UHFFFAOYSA-N 1 0 339.440 2.118 20 5 EEBDRO CCOC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000351930692 465448926 /nfs/dbraw/zinc/44/89/26/465448926.db2.gz KMYVZLBDNIUYGR-UHFFFAOYSA-N 1 0 338.360 2.045 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]C2)cc1SC ZINC000237121778 464268590 /nfs/dbraw/zinc/26/85/90/464268590.db2.gz JVGOVBFFSYERCR-JTQLQIEISA-N 1 0 339.417 2.055 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000292581593 464278912 /nfs/dbraw/zinc/27/89/12/464278912.db2.gz UNVQTDCIFHPLFO-CYBMUJFWSA-N 1 0 338.839 2.464 20 5 EEBDRO C[NH+](C)CC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000281037799 464308725 /nfs/dbraw/zinc/30/87/25/464308725.db2.gz IPPKSKCRAFXFGM-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000237437187 464319076 /nfs/dbraw/zinc/31/90/76/464319076.db2.gz ADSJOBRLRHCOPH-KBPBESRZSA-N 1 0 334.420 2.149 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000298644158 465458520 /nfs/dbraw/zinc/45/85/20/465458520.db2.gz PWQSHGJYJUPPHE-NEPJUHHUSA-N 1 0 337.376 2.041 20 5 EEBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271667216 464357721 /nfs/dbraw/zinc/35/77/21/464357721.db2.gz FOZCHNPGBJYRME-ZFWWWQNUSA-N 1 0 326.418 2.083 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271666533 464357848 /nfs/dbraw/zinc/35/78/48/464357848.db2.gz WFBZYABQVKLAJE-LSDHHAIUSA-N 1 0 325.434 2.223 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237668566 464360341 /nfs/dbraw/zinc/36/03/41/464360341.db2.gz JAQQJRPURBHEAM-QGZVFWFLSA-N 1 0 334.420 2.211 20 5 EEBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+](C)C ZINC000271977577 464434902 /nfs/dbraw/zinc/43/49/02/464434902.db2.gz DFEMKTBCAWDMGD-JSGCOSHPSA-N 1 0 336.417 2.213 20 5 EEBDRO NC(=O)c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000298692405 465473720 /nfs/dbraw/zinc/47/37/20/465473720.db2.gz CKOQPULZSMRXOS-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189272582 464467847 /nfs/dbraw/zinc/46/78/47/464467847.db2.gz VJRGVFGMZXVNAL-UHFFFAOYSA-N 1 0 333.392 2.275 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189523001 464525566 /nfs/dbraw/zinc/52/55/66/464525566.db2.gz JTQBTNNZYNYRRK-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000272239966 464531604 /nfs/dbraw/zinc/53/16/04/464531604.db2.gz XIOPSUYTZGBAHG-CYBMUJFWSA-N 1 0 335.404 2.162 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N(C)Cc1ccco1 ZINC000285366509 464538836 /nfs/dbraw/zinc/53/88/36/464538836.db2.gz QSAGAWAKKPAKIV-UHFFFAOYSA-N 1 0 331.372 2.321 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000175397593 464539957 /nfs/dbraw/zinc/53/99/57/464539957.db2.gz DLROOEUNFVNVJM-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000281674407 464542971 /nfs/dbraw/zinc/54/29/71/464542971.db2.gz UEOBEAWRZDURRS-ZFWWWQNUSA-N 1 0 347.415 2.271 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281857796 464611330 /nfs/dbraw/zinc/61/13/30/464611330.db2.gz YUNVWWQNCZVEMN-ZIAGYGMSSA-N 1 0 335.404 2.271 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294853269 464626045 /nfs/dbraw/zinc/62/60/45/464626045.db2.gz FRSCCPUXHZHUCH-MNOVXSKESA-N 1 0 339.367 2.345 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000294952347 464661135 /nfs/dbraw/zinc/66/11/35/464661135.db2.gz AWYCAKFIFBBWHU-KBPBESRZSA-N 1 0 346.431 2.338 20 5 EEBDRO COc1cc(C)c(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000176196636 464717628 /nfs/dbraw/zinc/71/76/28/464717628.db2.gz PYZQIWAEYPUSGC-UHFFFAOYSA-N 1 0 334.376 2.249 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000295195868 464740310 /nfs/dbraw/zinc/74/03/10/464740310.db2.gz JPXXNZFWVDQVSB-ZDUSSCGKSA-N 1 0 334.420 2.298 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000282349394 464783969 /nfs/dbraw/zinc/78/39/69/464783969.db2.gz GZTXENYOQWOMIF-SJORKVTESA-N 1 0 346.431 2.406 20 5 EEBDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000282433550 464817557 /nfs/dbraw/zinc/81/75/57/464817557.db2.gz KIYKOJIWZNPAKM-UHFFFAOYSA-N 1 0 339.392 2.073 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000248998525 464828724 /nfs/dbraw/zinc/82/87/24/464828724.db2.gz YJSGZWXFXDMJSK-CABZTGNLSA-N 1 0 346.330 2.408 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249064576 464836203 /nfs/dbraw/zinc/83/62/03/464836203.db2.gz JYRRIQXKFIRPPJ-XJKSGUPXSA-N 1 0 336.388 2.495 20 5 EEBDRO C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](C)CC1 ZINC000295446786 464838817 /nfs/dbraw/zinc/83/88/17/464838817.db2.gz GWILHALECPJQDH-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000184085100 464945267 /nfs/dbraw/zinc/94/52/67/464945267.db2.gz CDCPKNXGDZZIIZ-UHFFFAOYSA-N 1 0 343.449 2.023 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000268299692 465010727 /nfs/dbraw/zinc/01/07/27/465010727.db2.gz XNNLXRNJJPSNGE-BLLLJJGKSA-N 1 0 343.387 2.238 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593910710 468430561 /nfs/dbraw/zinc/43/05/61/468430561.db2.gz BJSXSMJZQKJLMS-ZQIUZPCESA-N 1 0 347.415 2.262 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351852615 465399418 /nfs/dbraw/zinc/39/94/18/465399418.db2.gz WISBDTVMRSHGNX-INIZCTEOSA-N 1 0 334.420 2.311 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000299063298 465582735 /nfs/dbraw/zinc/58/27/35/465582735.db2.gz MMTORNGMGBRFOM-CQSZACIVSA-N 1 0 332.360 2.262 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000356878435 465594122 /nfs/dbraw/zinc/59/41/22/465594122.db2.gz GYPXTIXVJFBSOI-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353078273 465620211 /nfs/dbraw/zinc/62/02/11/465620211.db2.gz PSKQMIUJBAHFEE-ZDUSSCGKSA-N 1 0 346.391 2.485 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348530315 465657537 /nfs/dbraw/zinc/65/75/37/465657537.db2.gz LNWJXNOSEFZHLY-BNOWGMLFSA-N 1 0 346.330 2.084 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371345460 465732762 /nfs/dbraw/zinc/73/27/62/465732762.db2.gz QTGIGUODLDNDOI-ZDUSSCGKSA-N 1 0 340.383 2.453 20 5 EEBDRO CNc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000361162168 465807986 /nfs/dbraw/zinc/80/79/86/465807986.db2.gz RQUHUKJCXZNXRT-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000331148865 465957203 /nfs/dbraw/zinc/95/72/03/465957203.db2.gz BFOSIQKGZQGZPR-MRXNPFEDSA-N 1 0 335.404 2.081 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371823124 466017858 /nfs/dbraw/zinc/01/78/58/466017858.db2.gz BDWIMQVSRKINHX-SJORKVTESA-N 1 0 349.431 2.025 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC000349204787 466019887 /nfs/dbraw/zinc/01/98/87/466019887.db2.gz YCFQOAAMDWATLA-LLVKDONJSA-N 1 0 344.371 2.338 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000340506291 466138736 /nfs/dbraw/zinc/13/87/36/466138736.db2.gz JNAHEVXNNDMYLM-MCIONIFRSA-N 1 0 334.420 2.411 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000331764358 466236478 /nfs/dbraw/zinc/23/64/78/466236478.db2.gz CUYPQIHKAJVMPI-AVGNSLFASA-N 1 0 349.435 2.358 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367365885 466292724 /nfs/dbraw/zinc/29/27/24/466292724.db2.gz TUKWGMKJVLMGDW-UHFFFAOYSA-N 1 0 341.371 2.076 20 5 EEBDRO Nc1ccc(-c2noc([C@@H]3CCn4ccnc4C3)n2)cc1[N+](=O)[O-] ZINC000349919609 466308839 /nfs/dbraw/zinc/30/88/39/466308839.db2.gz ZBGYMCBDVYWFLY-SNVBAGLBSA-N 1 0 326.316 2.154 20 5 EEBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000349939113 466319024 /nfs/dbraw/zinc/31/90/24/466319024.db2.gz RERXZGHBNKUGSJ-STQMWFEESA-N 1 0 334.420 2.298 20 5 EEBDRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305032227 466326821 /nfs/dbraw/zinc/32/68/21/466326821.db2.gz ASPZLLKVFILPJC-INIZCTEOSA-N 1 0 332.404 2.453 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000332191617 466438048 /nfs/dbraw/zinc/43/80/48/466438048.db2.gz XVQMCGKANDQLKZ-ZDUSSCGKSA-N 1 0 349.435 2.245 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756524 466449667 /nfs/dbraw/zinc/44/96/67/466449667.db2.gz BDJKIVPEHOVABL-GFCCVEGCSA-N 1 0 349.309 2.087 20 5 EEBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000305759709 466452445 /nfs/dbraw/zinc/45/24/45/466452445.db2.gz IPWGEADHUAIMHS-SWLSCSKDSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362080236 466539115 /nfs/dbraw/zinc/53/91/15/466539115.db2.gz RJXKBXDMBGOKQG-YJBOKZPZSA-N 1 0 332.448 2.053 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354425833 466559098 /nfs/dbraw/zinc/55/90/98/466559098.db2.gz IOCWUXOTXVCACP-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000315182083 466559387 /nfs/dbraw/zinc/55/93/87/466559387.db2.gz YFYSVBIYLXOYFH-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354463881 466586553 /nfs/dbraw/zinc/58/65/53/466586553.db2.gz PYVQJQVFIBLTIA-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368267710 466593126 /nfs/dbraw/zinc/59/31/26/466593126.db2.gz SGROSSBPQQHIHE-HOSILWTGSA-N 1 0 336.436 2.480 20 5 EEBDRO COc1ccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000415443410 466681835 /nfs/dbraw/zinc/68/18/35/466681835.db2.gz QZRDAGLGXZLVRP-ZDUSSCGKSA-N 1 0 348.403 2.457 20 5 EEBDRO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365201276 466743408 /nfs/dbraw/zinc/74/34/08/466743408.db2.gz JNXYUIQZISHDNQ-NVXWUHKLSA-N 1 0 349.431 2.025 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365249145 466757233 /nfs/dbraw/zinc/75/72/33/466757233.db2.gz PNIKUKPGODWIQQ-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000423548867 466772137 /nfs/dbraw/zinc/77/21/37/466772137.db2.gz FDGWFVUJGQFTLP-IACUBPJLSA-N 1 0 333.388 2.111 20 5 EEBDRO O=C(CCN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411226980 466788212 /nfs/dbraw/zinc/78/82/12/466788212.db2.gz OIYMRTDUEJJLEO-KRWDZBQOSA-N 1 0 346.431 2.484 20 5 EEBDRO COc1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423731832 466816646 /nfs/dbraw/zinc/81/66/46/466816646.db2.gz YORMIDGDEKSQNR-GOSISDBHSA-N 1 0 341.367 2.473 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCNc1cnccn1)CCCC2 ZINC000417316709 466832377 /nfs/dbraw/zinc/83/23/77/466832377.db2.gz UQUBKTATJXNZEC-INIZCTEOSA-N 1 0 327.388 2.854 20 5 EEBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411497788 466836442 /nfs/dbraw/zinc/83/64/42/466836442.db2.gz AFSMQIVRKSJMPW-LBPRGKRZSA-N 1 0 337.376 2.197 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cc(CO)nn1)CCCC2 ZINC000417349883 466839776 /nfs/dbraw/zinc/83/97/76/466839776.db2.gz NCWDCGXYIIAQGE-QGZVFWFLSA-N 1 0 345.403 2.126 20 5 EEBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411638763 466861924 /nfs/dbraw/zinc/86/19/24/466861924.db2.gz DZENQIKUFWSLAY-ZIAGYGMSSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373790947 466921196 /nfs/dbraw/zinc/92/11/96/466921196.db2.gz PTFOSCTVYTYBCO-ZIAGYGMSSA-N 1 0 333.388 2.025 20 5 EEBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423966318 466930458 /nfs/dbraw/zinc/93/04/58/466930458.db2.gz YWESEFMZCYVQGQ-ZDUSSCGKSA-N 1 0 341.795 2.213 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424010570 466950280 /nfs/dbraw/zinc/95/02/80/466950280.db2.gz LMROUKMUKHOUOA-QWHCGFSZSA-N 1 0 335.360 2.362 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000411972121 466952779 /nfs/dbraw/zinc/95/27/79/466952779.db2.gz PLFGNOCSNKKPHH-XIKOKIGWSA-N 1 0 347.415 2.277 20 5 EEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000424028657 466956320 /nfs/dbraw/zinc/95/63/20/466956320.db2.gz YWIOCQXLVPJEDG-ZYHUDNBSSA-N 1 0 325.796 2.234 20 5 EEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000424028655 466956558 /nfs/dbraw/zinc/95/65/58/466956558.db2.gz YWIOCQXLVPJEDG-JQWIXIFHSA-N 1 0 325.796 2.234 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417854503 466957421 /nfs/dbraw/zinc/95/74/21/466957421.db2.gz QCZRNTZMDQVUOF-QEJZJMRPSA-N 1 0 332.404 2.215 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000418092153 467042420 /nfs/dbraw/zinc/04/24/20/467042420.db2.gz QUYAHTREVSIFCI-UHFFFAOYSA-N 1 0 346.309 2.119 20 5 EEBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1C ZINC000413125528 467175110 /nfs/dbraw/zinc/17/51/10/467175110.db2.gz FUFXSOKIGVHVBM-CYBMUJFWSA-N 1 0 330.388 2.300 20 5 EEBDRO NC(=O)c1ccc(CN2CCC(OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000419311594 467186164 /nfs/dbraw/zinc/18/61/64/467186164.db2.gz YHWVSLZBWJBFCT-UHFFFAOYSA-N 1 0 333.388 2.227 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432528512 467247460 /nfs/dbraw/zinc/24/74/60/467247460.db2.gz AAJRWLSMBBHDTD-SCVCMEIPSA-N 1 0 341.795 2.130 20 5 EEBDRO [NH3+]C1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000428996615 467288056 /nfs/dbraw/zinc/28/80/56/467288056.db2.gz SHNDDEAKBGOLOX-UHFFFAOYSA-N 1 0 342.193 2.357 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)CC2 ZINC000378514786 467328539 /nfs/dbraw/zinc/32/85/39/467328539.db2.gz VUJAZOPTPLXSNS-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420316803 467352557 /nfs/dbraw/zinc/35/25/57/467352557.db2.gz YNJWNSVABDVAPN-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339945 467367329 /nfs/dbraw/zinc/36/73/29/467367329.db2.gz MFOGANAXJQFBEO-CXAGYDPISA-N 1 0 346.431 2.386 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000414123533 467380491 /nfs/dbraw/zinc/38/04/91/467380491.db2.gz BJTKKEVFDFMKFA-UGFHNGPFSA-N 1 0 326.418 2.393 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000434238050 467384398 /nfs/dbraw/zinc/38/43/98/467384398.db2.gz UPMCYVXDORODQX-NEPJUHHUSA-N 1 0 337.424 2.386 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453416508 467486647 /nfs/dbraw/zinc/48/66/47/467486647.db2.gz XOKSWTZAHUNNBP-HUUCEWRRSA-N 1 0 330.392 2.206 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436383940 467532880 /nfs/dbraw/zinc/53/28/80/467532880.db2.gz DYOIXYWUDSYRNL-CQSZACIVSA-N 1 0 348.447 2.500 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449639734 467673801 /nfs/dbraw/zinc/67/38/01/467673801.db2.gz QGCDDWXNSSJKOC-JSGCOSHPSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)CN1C ZINC000450542498 467867050 /nfs/dbraw/zinc/86/70/50/467867050.db2.gz UMJXZZJAHJTTOA-RYUDHWBXSA-N 1 0 343.387 2.150 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOC(F)(F)F ZINC000474060714 467990349 /nfs/dbraw/zinc/99/03/49/467990349.db2.gz BHDWFPCVMJXJGB-VIFPVBQESA-N 1 0 335.282 2.438 20 5 EEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265643 468040751 /nfs/dbraw/zinc/04/07/51/468040751.db2.gz QSQYTHSKWQUKRD-YMTOWFKASA-N 1 0 327.768 2.344 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000517158049 468073127 /nfs/dbraw/zinc/07/31/27/468073127.db2.gz CQSOAMOXSQDMSG-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556641 468088238 /nfs/dbraw/zinc/08/82/38/468088238.db2.gz MRCOQTNXCQNXGD-SUMWQHHRSA-N 1 0 346.383 2.261 20 5 EEBDRO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000517622838 468091046 /nfs/dbraw/zinc/09/10/46/468091046.db2.gz NCJRABLXIUOLPT-HZSPNIEDSA-N 1 0 335.404 2.351 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000533067927 468166088 /nfs/dbraw/zinc/16/60/88/468166088.db2.gz JKEOEWJEZJVTRP-UHFFFAOYSA-N 1 0 349.387 2.049 20 5 EEBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])ccc21 ZINC000577745990 468191156 /nfs/dbraw/zinc/19/11/56/468191156.db2.gz YKLVIESKHRGLBC-AWEZNQCLSA-N 1 0 341.371 2.373 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549697139 468193553 /nfs/dbraw/zinc/19/35/53/468193553.db2.gz YHPVGCIXIAIDFU-OAHLLOKOSA-N 1 0 332.356 2.133 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000490639771 468229276 /nfs/dbraw/zinc/22/92/76/468229276.db2.gz NTXFJQIVIMOVRY-TUYSUELWSA-N 1 0 347.415 2.081 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000590387707 468244830 /nfs/dbraw/zinc/24/48/30/468244830.db2.gz HTPUSKPBZFTKOG-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000594195986 468508566 /nfs/dbraw/zinc/50/85/66/468508566.db2.gz JTRNOKDAVUBLOI-HUUCEWRRSA-N 1 0 343.387 2.218 20 5 EEBDRO C[C@@H](CCc1cccn1C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744952 468513228 /nfs/dbraw/zinc/51/32/28/468513228.db2.gz ZPUNYGXEENTTAO-GOEBONIOSA-N 1 0 347.415 2.284 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000591760131 468515808 /nfs/dbraw/zinc/51/58/08/468515808.db2.gz PEUPAGOCXHAAIX-CVEARBPZSA-N 1 0 338.404 2.273 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1 ZINC000556214854 468515858 /nfs/dbraw/zinc/51/58/58/468515858.db2.gz MWYSWDPEHMIDMF-UHFFFAOYSA-N 1 0 328.372 2.116 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000597442857 468557130 /nfs/dbraw/zinc/55/71/30/468557130.db2.gz YYFJPVOXGXRMNB-SWLSCSKDSA-N 1 0 332.404 2.406 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418817 468579650 /nfs/dbraw/zinc/57/96/50/468579650.db2.gz LVYALHIIRHEHER-NWDGAFQWSA-N 1 0 335.408 2.188 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253924 468665139 /nfs/dbraw/zinc/66/51/39/468665139.db2.gz QHLBMNOXAREPEM-LSDHHAIUSA-N 1 0 346.431 2.488 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000592428746 468695788 /nfs/dbraw/zinc/69/57/88/468695788.db2.gz TVZLVXAAPOWCOD-NHYWBVRUSA-N 1 0 348.428 2.266 20 5 EEBDRO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000592544710 468727362 /nfs/dbraw/zinc/72/73/62/468727362.db2.gz IEUHPPNAXXNYDJ-IINYFYTJSA-N 1 0 325.796 2.377 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000583626256 468731227 /nfs/dbraw/zinc/73/12/27/468731227.db2.gz KGVJVZAPZFFDNY-AEFFLSMTSA-N 1 0 346.383 2.312 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000595049432 468749300 /nfs/dbraw/zinc/74/93/00/468749300.db2.gz IWILFOBWQGRCEI-GFCCVEGCSA-N 1 0 343.383 2.482 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000584048104 468791400 /nfs/dbraw/zinc/79/14/00/468791400.db2.gz CMNMTFSQIIMRIA-KBPBESRZSA-N 1 0 336.388 2.026 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000595287110 468800571 /nfs/dbraw/zinc/80/05/71/468800571.db2.gz LKJSVCRJMQJUQC-HOTGVXAUSA-N 1 0 347.463 2.090 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598341898 468836771 /nfs/dbraw/zinc/83/67/71/468836771.db2.gz HWPMCEMSXQILGH-GFCCVEGCSA-N 1 0 325.796 2.391 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000598560806 468913435 /nfs/dbraw/zinc/91/34/35/468913435.db2.gz NNWLHONFJFTJGO-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)c1ccnc(NCCc2ncc(C)cc2C)c1[N+](=O)[O-] ZINC000598632054 468939599 /nfs/dbraw/zinc/93/95/99/468939599.db2.gz ZFBSKTXZJWTURR-UHFFFAOYSA-N 1 0 330.344 2.443 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000602655189 468992452 /nfs/dbraw/zinc/99/24/52/468992452.db2.gz NCRMVFSJLVSKIT-UHFFFAOYSA-N 1 0 326.418 2.084 20 5 EEBDRO Cn1c2cc(NCC[NH+]3CCCCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585703259 469017857 /nfs/dbraw/zinc/01/78/57/469017857.db2.gz ZGKBIXXJPHPOCD-UHFFFAOYSA-N 1 0 347.419 2.073 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000602711567 469027939 /nfs/dbraw/zinc/02/79/39/469027939.db2.gz QPKJCOPNVHSJQL-UHFFFAOYSA-N 1 0 340.445 2.474 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593642449 469074444 /nfs/dbraw/zinc/07/44/44/469074444.db2.gz KQQJQWUSILJVKK-UHFFFAOYSA-N 1 0 325.384 2.467 20 5 EEBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602798713 469084757 /nfs/dbraw/zinc/08/47/57/469084757.db2.gz GCTDAYJVBMJDAP-CQSZACIVSA-N 1 0 338.408 2.155 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000593691013 469096715 /nfs/dbraw/zinc/09/67/15/469096715.db2.gz IBLJJKBLTQDQKP-OAHLLOKOSA-N 1 0 346.330 2.217 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)C1CC1 ZINC000593722546 469108669 /nfs/dbraw/zinc/10/86/69/469108669.db2.gz WROGFHWDZVNBGS-AEFFLSMTSA-N 1 0 334.416 2.437 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000596070126 469138920 /nfs/dbraw/zinc/13/89/20/469138920.db2.gz NSYPHILRUOSJRK-MRXNPFEDSA-N 1 0 334.420 2.487 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596078828 469144805 /nfs/dbraw/zinc/14/48/05/469144805.db2.gz UPDWAINPRMRKPQ-CQSZACIVSA-N 1 0 336.436 2.350 20 5 EEBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000611150217 469174759 /nfs/dbraw/zinc/17/47/59/469174759.db2.gz ROUDUQMTMBGLIL-GFCCVEGCSA-N 1 0 344.415 2.465 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000602949292 469185789 /nfs/dbraw/zinc/18/57/89/469185789.db2.gz XZKYBMFCJXWBDJ-UONOGXRCSA-N 1 0 349.435 2.304 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000611203348 469191118 /nfs/dbraw/zinc/19/11/18/469191118.db2.gz IIBKWPFBQAMSOU-AWEZNQCLSA-N 1 0 336.436 2.430 20 5 EEBDRO NC(=O)c1cc(N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596199799 469198976 /nfs/dbraw/zinc/19/89/76/469198976.db2.gz JDJKZLUFFPDHNU-AWEZNQCLSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589189052 469209782 /nfs/dbraw/zinc/20/97/82/469209782.db2.gz XBUORDKQOBIPNS-DZGCQCFKSA-N 1 0 347.415 2.425 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000602998031 469214533 /nfs/dbraw/zinc/21/45/33/469214533.db2.gz WGEDQLKCVMQKHW-ULQDDVLXSA-N 1 0 347.415 2.183 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000611273641 469218095 /nfs/dbraw/zinc/21/80/95/469218095.db2.gz XAQMCLMTMHJHJM-CQSZACIVSA-N 1 0 347.415 2.284 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000611780461 469321944 /nfs/dbraw/zinc/32/19/44/469321944.db2.gz BYQGITFRBCIEJX-HOTGVXAUSA-N 1 0 339.823 2.279 20 5 EEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662013 469330421 /nfs/dbraw/zinc/33/04/21/469330421.db2.gz VXDDBGMHKQHOOX-UHFFFAOYSA-N 1 0 331.420 2.375 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)cn1 ZINC000602506234 469342748 /nfs/dbraw/zinc/34/27/48/469342748.db2.gz JRRFYTJVDZSDTO-UHFFFAOYSA-N 1 0 345.447 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000602510276 469344239 /nfs/dbraw/zinc/34/42/39/469344239.db2.gz KRGBYQDEBVWQQO-UHFFFAOYSA-N 1 0 342.399 2.159 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(CO)CCOCC1 ZINC000602583143 469372048 /nfs/dbraw/zinc/37/20/48/469372048.db2.gz QPNJCIJDGNTGQF-UHFFFAOYSA-N 1 0 348.321 2.492 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000604504650 469484348 /nfs/dbraw/zinc/48/43/48/469484348.db2.gz QTGSPAMHFJJOIZ-MJBXVCDLSA-N 1 0 334.420 2.411 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000604511340 469485130 /nfs/dbraw/zinc/48/51/30/469485130.db2.gz YJODIWCWLNWSCZ-UHFFFAOYSA-N 1 0 343.343 2.351 20 5 EEBDRO COc1ccc(CC(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000609045840 469889433 /nfs/dbraw/zinc/88/94/33/469889433.db2.gz RMHLNLMHOVXSCA-UHFFFAOYSA-N 1 0 349.431 2.336 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000609135688 469894203 /nfs/dbraw/zinc/89/42/03/469894203.db2.gz LZZALXUJGFYBDU-AWEZNQCLSA-N 1 0 349.435 2.355 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793793 469961574 /nfs/dbraw/zinc/96/15/74/469961574.db2.gz QNKQHSUZROPCHT-LLVKDONJSA-N 1 0 325.796 2.201 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609849095 469965643 /nfs/dbraw/zinc/96/56/43/469965643.db2.gz ZYAGCEKPHAVSFZ-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000430595953 485703576 /nfs/dbraw/zinc/70/35/76/485703576.db2.gz NDTJKFPIZJHFNM-KGLIPLIRSA-N 1 0 332.404 2.058 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183558841 534424334 /nfs/dbraw/zinc/42/43/34/534424334.db2.gz APAPUEVNKMOLKW-DOMZBBRYSA-N 1 0 345.403 2.470 20 5 EEBDRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000729529381 576663947 /nfs/dbraw/zinc/66/39/47/576663947.db2.gz VCJSMHZEDPELFK-UHFFFAOYSA-N 1 0 334.420 2.432 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000772231935 577258204 /nfs/dbraw/zinc/25/82/04/577258204.db2.gz QTULJVMZQPNNNM-UHFFFAOYSA-N 1 0 332.360 2.279 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)c1nc2ccccn2c1[N+](=O)[O-] ZINC000751258926 577750036 /nfs/dbraw/zinc/75/00/36/577750036.db2.gz VXXRLVUTBOCHJM-UHFFFAOYSA-N 1 0 335.408 2.037 20 5 EEBDRO C[S@@](=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341981 577804782 /nfs/dbraw/zinc/80/47/82/577804782.db2.gz OSJNEWAQEGFJSM-WAIKUNEKSA-N 1 0 334.397 2.155 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000747683017 577948226 /nfs/dbraw/zinc/94/82/26/577948226.db2.gz AQOKOXLDFGATKW-UHFFFAOYSA-N 1 0 336.348 2.027 20 5 EEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736247624 578190560 /nfs/dbraw/zinc/19/05/60/578190560.db2.gz GCSRLBLWIFVOSE-TXEJJXNPSA-N 1 0 345.407 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000823635253 607479609 /nfs/dbraw/zinc/47/96/09/607479609.db2.gz UKYZPEGYZFFNLG-UHFFFAOYSA-N 1 0 342.334 2.246 20 5 EEBDRO C[NH+](C)C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000120081930 674586634 /nfs/dbraw/zinc/58/66/34/674586634.db2.gz SWIJBGUJVIMFER-UHFFFAOYSA-N 1 0 347.415 2.449 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022014236 676584219 /nfs/dbraw/zinc/58/42/19/676584219.db2.gz ZANMFICBIKFBSI-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891448606 676634521 /nfs/dbraw/zinc/63/45/21/676634521.db2.gz RUPIPGIKNBXVPG-QGZVFWFLSA-N 1 0 332.404 2.270 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891667634 676762817 /nfs/dbraw/zinc/76/28/17/676762817.db2.gz HCSUMPQZWFIZPI-HIFRSBDPSA-N 1 0 338.795 2.332 20 5 EEBDRO COc1c(O)ccc(CN2CCCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000894484290 682921071 /nfs/dbraw/zinc/92/10/71/682921071.db2.gz QJTCOPDWKSSBOL-UHFFFAOYSA-N 1 0 345.346 2.082 20 5 EEBDRO C[C@]1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[NH+]2CCC1CC2 ZINC000892784599 683050191 /nfs/dbraw/zinc/05/01/91/683050191.db2.gz JHTRVZBGFQHJPD-SFHVURJKSA-N 1 0 342.399 2.150 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CC=CC1 ZINC001025716585 683245372 /nfs/dbraw/zinc/24/53/72/683245372.db2.gz UNBOXWDTZCNSSX-FVQHAEBGSA-N 1 0 327.384 2.107 20 5 EEBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CCC1 ZINC001025946487 683669877 /nfs/dbraw/zinc/66/98/77/683669877.db2.gz CDKMPTUBDGUZTK-ZSHCYNCHSA-N 1 0 329.400 2.331 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000895245941 684381195 /nfs/dbraw/zinc/38/11/95/684381195.db2.gz KBPHVMQMTYCZTP-GXFFZTMASA-N 1 0 344.362 2.242 20 5 EEBDRO Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964671 688721045 /nfs/dbraw/zinc/72/10/45/688721045.db2.gz VCVMQFKFUNLCCZ-QZTJIDSGSA-N 1 0 345.443 2.331 20 5 EEBDRO O=[N+]([O-])c1c(Br)cccc1NCC[NH+]1CCC(O)CC1 ZINC000321280981 689281799 /nfs/dbraw/zinc/28/17/99/689281799.db2.gz CZPOGZHEBNZXAU-UHFFFAOYSA-N 1 0 344.209 2.226 20 5 EEBDRO Cn1cccc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989956452 692520520 /nfs/dbraw/zinc/52/05/20/692520520.db2.gz GZYXMRQVSPZJHG-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000825795697 1199262834 /nfs/dbraw/zinc/26/28/34/1199262834.db2.gz PIPMLLOLWSIOFT-CABCVRRESA-N 1 0 347.415 2.373 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000826105281 1201034044 /nfs/dbraw/zinc/03/40/44/1201034044.db2.gz ULXCKVDCAGZQDQ-SFHVURJKSA-N 1 0 347.415 2.232 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201412 1201420492 /nfs/dbraw/zinc/42/04/92/1201420492.db2.gz LISAPEDOXIUQCD-MRXNPFEDSA-N 1 0 349.431 2.336 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC1CC1 ZINC000866305926 1201488982 /nfs/dbraw/zinc/48/89/82/1201488982.db2.gz NTMBPJHLFCDHFD-NSHDSACASA-N 1 0 344.408 2.079 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000131351923 1202037493 /nfs/dbraw/zinc/03/74/93/1202037493.db2.gz KYFRLZBJHIVARI-AWEZNQCLSA-N 1 0 329.404 2.320 20 5 EEBDRO CCOc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890081945 1204780550 /nfs/dbraw/zinc/78/05/50/1204780550.db2.gz NPCRNYJAKHFNSG-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095567024 1205876963 /nfs/dbraw/zinc/87/69/63/1205876963.db2.gz MYNBMIICRGJTLA-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001095691948 1205916436 /nfs/dbraw/zinc/91/64/36/1205916436.db2.gz VWSCSYYUVZWUQR-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724728 1207449502 /nfs/dbraw/zinc/44/95/02/1207449502.db2.gz HYHPZAVWCBSLAW-BJJXKVORSA-N 1 0 332.404 2.090 20 5 EEBDRO O=C(N1CCOCC1)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000934060062 1207893135 /nfs/dbraw/zinc/89/31/35/1207893135.db2.gz IVMSTPAATLMMKE-UHFFFAOYSA-N 1 0 347.415 2.246 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778938971 1208411627 /nfs/dbraw/zinc/41/16/27/1208411627.db2.gz HSKCMUYAIGGVQS-LLVKDONJSA-N 1 0 327.331 2.287 20 5 EEBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000795709444 1214994761 /nfs/dbraw/zinc/99/47/61/1214994761.db2.gz YHESLTVBNXLLET-SWLSCSKDSA-N 1 0 344.419 2.164 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795707691 1215000918 /nfs/dbraw/zinc/00/09/18/1215000918.db2.gz OPEQNOQVZUZXNQ-BBRMVZONSA-N 1 0 329.404 2.461 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900630808 1234585970 /nfs/dbraw/zinc/58/59/70/1234585970.db2.gz RXDVSTLMONENRQ-SECBINFHSA-N 1 0 329.759 2.459 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903337995 1240267567 /nfs/dbraw/zinc/26/75/67/1240267567.db2.gz APDUBCWQPMSEFH-BBRMVZONSA-N 1 0 339.411 2.365 20 5 EEBDRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000852096740 1291990846 /nfs/dbraw/zinc/99/08/46/1291990846.db2.gz NQOSOBCMYHQDQN-LBPRGKRZSA-N 1 0 349.412 2.354 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)[NH3+] ZINC000852754183 1292186899 /nfs/dbraw/zinc/18/68/99/1292186899.db2.gz BRKOVJFPRRPIKJ-VIFPVBQESA-N 1 0 328.800 2.244 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000856073623 1293399074 /nfs/dbraw/zinc/39/90/74/1293399074.db2.gz UJNHQZKTZQWZPO-NSHDSACASA-N 1 0 338.383 2.014 20 5 EEBDRO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000857636736 1293875165 /nfs/dbraw/zinc/87/51/65/1293875165.db2.gz PDKBCHKPOXQZQT-UHFFFAOYSA-N 1 0 335.316 2.283 20 5 EEBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000794603191 1296476044 /nfs/dbraw/zinc/47/60/44/1296476044.db2.gz HPMLNEBIXDSGEP-JYAVWHMHSA-N 1 0 326.418 2.393 20 5 EEBDRO Nc1nonc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218543737 1297705748 /nfs/dbraw/zinc/70/57/48/1297705748.db2.gz ZCVAICHWYTXUPE-INIZCTEOSA-N 1 0 347.378 2.467 20 5 EEBDRO COC(=O)CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219974698 1298201847 /nfs/dbraw/zinc/20/18/47/1298201847.db2.gz CNADJPCJJNDXAK-SFHVURJKSA-N 1 0 336.391 2.152 20 5 EEBDRO COCC[NH+]1CCC(Oc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])CC1 ZINC001225601591 1301085357 /nfs/dbraw/zinc/08/53/57/1301085357.db2.gz QSTFMTDCFQLZOP-UHFFFAOYSA-N 1 0 339.348 2.301 20 5 EEBDRO CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001102468029 1301113526 /nfs/dbraw/zinc/11/35/26/1301113526.db2.gz ZCGXGSNYFHJFFL-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cc1cccc(Br)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227806053 1301971015 /nfs/dbraw/zinc/97/10/15/1301971015.db2.gz QSWCDTVATKSQLM-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(NC(=O)C(C)(C)C)nc2[nH]ccc21 ZINC001228924857 1302526544 /nfs/dbraw/zinc/52/65/44/1302526544.db2.gz DAENBZAKGLIUGC-NSHDSACASA-O 1 0 334.444 2.416 20 5 EEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229364841 1302748943 /nfs/dbraw/zinc/74/89/43/1302748943.db2.gz MRLAHLZJTKNDGP-UMSPYCQHSA-N 1 0 332.360 2.495 20 5 EEBDRO C[N@@H+]1CCC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234361092 1304898750 /nfs/dbraw/zinc/89/87/50/1304898750.db2.gz XMNLABYSWOIAQP-OAHLLOKOSA-N 1 0 335.404 2.295 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3nccc4c3cccc4[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001234674005 1305006253 /nfs/dbraw/zinc/00/62/53/1305006253.db2.gz GCXSJBGUILQLKD-JQAFLVLXSA-N 1 0 327.340 2.326 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001116027341 1305850468 /nfs/dbraw/zinc/85/04/68/1305850468.db2.gz XGBBAMHLSXGVCD-KGLIPLIRSA-N 1 0 335.404 2.353 20 5 EEBDRO CCOCC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120563335 1309612295 /nfs/dbraw/zinc/61/22/95/1309612295.db2.gz JWKWZQJIKCQPHI-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](F)[C@@H]([NH3+])CC2)c1F ZINC001246566255 1310345537 /nfs/dbraw/zinc/34/55/37/1310345537.db2.gz FMNIZNRNIKTIAU-UHTWSYAYSA-N 1 0 343.374 2.435 20 5 EEBDRO O=C(Cc1cccs1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122661564 1310366022 /nfs/dbraw/zinc/36/60/22/1310366022.db2.gz LKGBRGXIUSQCDF-UHFFFAOYSA-N 1 0 325.415 2.166 20 5 EEBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000839986992 1315268864 /nfs/dbraw/zinc/26/88/64/1315268864.db2.gz CSURSXMQRQUNQE-WBVHZDCISA-N 1 0 331.372 2.364 20 5 EEBDRO COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000842305753 1315685618 /nfs/dbraw/zinc/68/56/18/1315685618.db2.gz BMRHXCXLOUGUGF-RKTXRCNFSA-N 1 0 348.399 2.287 20 5 EEBDRO CC(C)(C)[C@H](CN)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475371 1315712423 /nfs/dbraw/zinc/71/24/23/1315712423.db2.gz OKCXICDQSIXZFZ-ZDUSSCGKSA-N 1 0 326.372 2.026 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000842579385 1315725264 /nfs/dbraw/zinc/72/52/64/1315725264.db2.gz BMUWZUOFVCWTHL-JTQLQIEISA-N 1 0 328.332 2.153 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000842870276 1315788398 /nfs/dbraw/zinc/78/83/98/1315788398.db2.gz XZNLMBQIHYXWGS-JTQLQIEISA-N 1 0 349.840 2.352 20 5 EEBDRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843097216 1315841329 /nfs/dbraw/zinc/84/13/29/1315841329.db2.gz XLBNDCQVLHAHCS-WMZOPIPTSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000843099763 1315841945 /nfs/dbraw/zinc/84/19/45/1315841945.db2.gz FTXYAJNGQFNPRG-KKXDTOCCSA-N 1 0 330.384 2.210 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843347102 1315895323 /nfs/dbraw/zinc/89/53/23/1315895323.db2.gz RHCYVCWOJQVIQA-ZWNOBZJWSA-N 1 0 340.811 2.388 20 5 EEBDRO CCc1ncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001153204340 1316791014 /nfs/dbraw/zinc/79/10/14/1316791014.db2.gz XJYZFKDDAZGSEW-UHFFFAOYSA-N 1 0 340.430 2.195 20 5 EEBDRO COc1ccnc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249278909 1317041160 /nfs/dbraw/zinc/04/11/60/1317041160.db2.gz QQXSHKGHBLYERN-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc2c1 ZINC001155593092 1317664533 /nfs/dbraw/zinc/66/45/33/1317664533.db2.gz XOYCOAUUPOZOFW-PXAZEXFGSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001155599113 1317668072 /nfs/dbraw/zinc/66/80/72/1317668072.db2.gz RYLRLPHBBSGHAW-YGRLFVJLSA-N 1 0 326.784 2.214 20 5 EEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254468294 1318080966 /nfs/dbraw/zinc/08/09/66/1318080966.db2.gz KHYZMZKMJWBPCV-UKRRQHHQSA-N 1 0 347.415 2.495 20 5 EEBDRO CCN1C[C@@H](C)N(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001254480893 1318083834 /nfs/dbraw/zinc/08/38/34/1318083834.db2.gz OPKYBBRMHBROAM-CQSZACIVSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC([NH+]4CCCC4)C3)CC2)cc1 ZINC001254478967 1318085140 /nfs/dbraw/zinc/08/51/40/1318085140.db2.gz MQHXBDJFJYGPDK-UHFFFAOYSA-N 1 0 330.432 2.344 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001254532865 1318112676 /nfs/dbraw/zinc/11/26/76/1318112676.db2.gz QZVUWTWDNJGCSJ-WBMJQRKESA-N 1 0 330.388 2.163 20 5 EEBDRO CC(=O)OCN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550036 1318118959 /nfs/dbraw/zinc/11/89/59/1318118959.db2.gz ZJBDYTWPILMQCH-CYBMUJFWSA-N 1 0 335.404 2.100 20 5 EEBDRO COc1ccc(C[C@@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577057 1318127538 /nfs/dbraw/zinc/12/75/38/1318127538.db2.gz BVXKHAYYYRAQJK-SJORKVTESA-N 1 0 342.395 2.264 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC3CC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087082 1318643988 /nfs/dbraw/zinc/64/39/88/1318643988.db2.gz OPOHIZOFBWOSSE-UHFFFAOYSA-N 1 0 333.388 2.141 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093691 1318646157 /nfs/dbraw/zinc/64/61/57/1318646157.db2.gz ODTHMLAFSZWIQM-HNNXBMFYSA-N 1 0 335.404 2.293 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)CC3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256100424 1318647637 /nfs/dbraw/zinc/64/76/37/1318647637.db2.gz ICXWQBXQEMUYAW-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO CC(C)(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157766843 1318845306 /nfs/dbraw/zinc/84/53/06/1318845306.db2.gz AOESHSSRTYKULX-HZPDHXFCSA-N 1 0 333.432 2.245 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260238 1319119453 /nfs/dbraw/zinc/11/94/53/1319119453.db2.gz YZJFMGNFRIKHKR-ZDUSSCGKSA-N 1 0 341.415 2.145 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)nc21 ZINC001161463817 1320508693 /nfs/dbraw/zinc/50/86/93/1320508693.db2.gz GQOFFQOZRLNCFS-OAHLLOKOSA-N 1 0 341.415 2.381 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161581999 1320546905 /nfs/dbraw/zinc/54/69/05/1320546905.db2.gz IQEFZBLZHYAGEV-UHFFFAOYSA-N 1 0 338.371 2.321 20 5 EEBDRO COC(=O)COc1c(C)cc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402809 1320846550 /nfs/dbraw/zinc/84/65/50/1320846550.db2.gz ALDWMXXMMMUKSW-NEPJUHHUSA-N 1 0 337.376 2.137 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162847703 1320972575 /nfs/dbraw/zinc/97/25/75/1320972575.db2.gz XIYPBHMFFOAWBX-LBPRGKRZSA-N 1 0 342.355 2.106 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H](C[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001163296853 1321090462 /nfs/dbraw/zinc/09/04/62/1321090462.db2.gz WPDWNWGBGZECOS-CYBMUJFWSA-N 1 0 330.344 2.278 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163321864 1321097132 /nfs/dbraw/zinc/09/71/32/1321097132.db2.gz DZOJKPNXEBXKHG-RNCFNFMXSA-N 1 0 346.309 2.332 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)on1 ZINC001163485325 1321137612 /nfs/dbraw/zinc/13/76/12/1321137612.db2.gz OBCAPPVBZMAORW-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cc1cc(C[NH3+])nn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001163985462 1321262776 /nfs/dbraw/zinc/26/27/76/1321262776.db2.gz RXKCQIWCTZEATD-UHFFFAOYSA-N 1 0 326.316 2.130 20 5 EEBDRO COc1cc2ncnc(N3C[C@H](C)CC[C@H]3C[NH3+])c2cc1[N+](=O)[O-] ZINC001164069700 1321284650 /nfs/dbraw/zinc/28/46/50/1321284650.db2.gz KUQOMGRCQHAVIH-MNOVXSKESA-N 1 0 331.376 2.110 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001165064850 1321449432 /nfs/dbraw/zinc/44/94/32/1321449432.db2.gz BGOCPIXUQSYVEC-UHFFFAOYSA-N 1 0 349.435 2.260 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001165090003 1321452529 /nfs/dbraw/zinc/45/25/29/1321452529.db2.gz WXRXRSULMGBFHT-WBVHZDCISA-N 1 0 339.399 2.404 20 5 EEBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001165107608 1321455962 /nfs/dbraw/zinc/45/59/62/1321455962.db2.gz JNFKBPVSFPCIQY-HNNXBMFYSA-N 1 0 334.420 2.378 20 5 EEBDRO CC(C)(C)N(c1ccc([N+](=O)[O-])c(N)n1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670882 1321562188 /nfs/dbraw/zinc/56/21/88/1321562188.db2.gz VCTJVKCSPYAUGW-LBPRGKRZSA-N 1 0 349.435 2.088 20 5 EEBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204450072 1322147614 /nfs/dbraw/zinc/14/76/14/1322147614.db2.gz JFZVNWFEWZKDNT-UHFFFAOYSA-N 1 0 341.371 2.402 20 5 EEBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001263333338 1322463123 /nfs/dbraw/zinc/46/31/23/1322463123.db2.gz KRGJVGDDFXAKOX-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001263655936 1322499817 /nfs/dbraw/zinc/49/98/17/1322499817.db2.gz XCXDLSCABAFXSK-UHFFFAOYSA-N 1 0 338.408 2.383 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCc1cnccn1 ZINC001308350416 1331584917 /nfs/dbraw/zinc/58/49/17/1331584917.db2.gz LAKWUNJQRIQTQM-UHFFFAOYSA-N 1 0 337.177 2.480 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@H](CO)CCc2ccccc2)c1[N+](=O)[O-] ZINC001308941933 1331609216 /nfs/dbraw/zinc/60/92/16/1331609216.db2.gz CEUVBESALKVEEB-HNNXBMFYSA-N 1 0 346.383 2.392 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001318995070 1332634194 /nfs/dbraw/zinc/63/41/94/1332634194.db2.gz LKEHIZXJYKDENF-OLZOCXBDSA-N 1 0 336.392 2.451 20 5 EEBDRO CC[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001609190565 1351884297 /nfs/dbraw/zinc/88/42/97/1351884297.db2.gz OMKFMGUQBHFKPB-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO Cc1ccc(NC(=O)CN(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001326570257 1334116975 /nfs/dbraw/zinc/11/69/75/1334116975.db2.gz UUWQQRGDVJCLQI-UHFFFAOYSA-N 1 0 342.399 2.303 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC001329593797 1334680892 /nfs/dbraw/zinc/68/08/92/1334680892.db2.gz CXAPDVGPGJTXOV-GFCCVEGCSA-N 1 0 336.348 2.026 20 5 EEBDRO CC1(C)[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+][C@H]21 ZINC001331362365 1335002621 /nfs/dbraw/zinc/00/26/21/1335002621.db2.gz WTUORQJSYDKCIE-CSMYWGQOSA-N 1 0 347.415 2.257 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cnn1C ZINC001331707120 1335061344 /nfs/dbraw/zinc/06/13/44/1335061344.db2.gz KUYXJTMKDRKVJW-GFCCVEGCSA-N 1 0 344.419 2.351 20 5 EEBDRO Cc1cccc2nc(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cn21 ZINC001335470138 1336380291 /nfs/dbraw/zinc/38/02/91/1336380291.db2.gz SNJLWXUWXUNQOC-KRWDZBQOSA-N 1 0 340.383 2.417 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001335890489 1336443737 /nfs/dbraw/zinc/44/37/37/1336443737.db2.gz IKHYPVYODDELLI-AWEZNQCLSA-N 1 0 347.327 2.033 20 5 EEBDRO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC001336909092 1336614554 /nfs/dbraw/zinc/61/45/54/1336614554.db2.gz XBYWAVRONXDTHR-WFASDCNBSA-N 1 0 332.404 2.282 20 5 EEBDRO O=[N+]([O-])c1ccnn1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001337218261 1336665324 /nfs/dbraw/zinc/66/53/24/1336665324.db2.gz KBZURRWRDUIPKC-DLBZAZTESA-N 1 0 341.415 2.203 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001338210637 1336817227 /nfs/dbraw/zinc/81/72/27/1336817227.db2.gz USOPSGKTKOOFMO-UHFFFAOYSA-N 1 0 348.407 2.294 20 5 EEBDRO CC[N@@H+]1CCN(c2nnc(-c3cc(C)cc([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC001339172878 1336970564 /nfs/dbraw/zinc/97/05/64/1336970564.db2.gz JXBCORDQQFQUNF-ZDUSSCGKSA-N 1 0 344.419 2.229 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001342657618 1337319182 /nfs/dbraw/zinc/31/91/82/1337319182.db2.gz DNMZUOXDBLIZFX-UHFFFAOYSA-N 1 0 348.407 2.244 20 5 EEBDRO C[C@@H](COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC001346036333 1337478491 /nfs/dbraw/zinc/47/84/91/1337478491.db2.gz PWCPDIREPUEZKN-GFCCVEGCSA-N 1 0 347.371 2.201 20 5 EEBDRO C[C@H](C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001575070849 1343728559 /nfs/dbraw/zinc/72/85/59/1343728559.db2.gz UQIWWGRISUGDFA-UWVGGRQHSA-N 1 0 345.321 2.198 20 5 EEBDRO CC(C)[C@H]1[NH2+]CC12CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001575519416 1343816151 /nfs/dbraw/zinc/81/61/51/1343816151.db2.gz CAHBYSPKNOBIQE-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO C[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC001576008971 1343942001 /nfs/dbraw/zinc/94/20/01/1343942001.db2.gz VTFFNUXTVUIYPB-FZKQIMNGSA-N 1 0 343.383 2.352 20 5 EEBDRO COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])cc1O ZINC001579153808 1344344725 /nfs/dbraw/zinc/34/47/25/1344344725.db2.gz MCGFJQKLUGRICO-UHFFFAOYSA-N 1 0 331.372 2.100 20 5 EEBDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589640271 1349014031 /nfs/dbraw/zinc/01/40/31/1349014031.db2.gz JBSGTKOLAZCBIN-AWEZNQCLSA-N 1 0 346.391 2.022 20 5 EEBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589640272 1349014385 /nfs/dbraw/zinc/01/43/85/1349014385.db2.gz JBSGTKOLAZCBIN-CQSZACIVSA-N 1 0 346.391 2.022 20 5 EEBDRO CC1(C)C[C@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC001590083912 1349145516 /nfs/dbraw/zinc/14/55/16/1349145516.db2.gz OCRRHEBKAQXIJS-ZDUSSCGKSA-N 1 0 346.391 2.211 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591065740 1349437333 /nfs/dbraw/zinc/43/73/33/1349437333.db2.gz YHSNNLMUPABTTF-GFCCVEGCSA-N 1 0 345.407 2.086 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604679872 1350983887 /nfs/dbraw/zinc/98/38/87/1350983887.db2.gz OGOGRTPLJDVPFJ-KGLIPLIRSA-N 1 0 331.380 2.060 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000851821773 1369247715 /nfs/dbraw/zinc/24/77/15/1369247715.db2.gz ZRGKOLVJEVDTNJ-LLVKDONJSA-N 1 0 347.824 2.011 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000842278031 1369914689 /nfs/dbraw/zinc/91/46/89/1369914689.db2.gz WEOSHPHTRSMLQM-UHFFFAOYSA-N 1 0 347.415 2.279 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001111902141 1371293896 /nfs/dbraw/zinc/29/38/96/1371293896.db2.gz QIEGEDNNGNBNOD-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532605 1371308614 /nfs/dbraw/zinc/30/86/14/1371308614.db2.gz XTMDLQHWUPEYOJ-VXGBXAGGSA-N 1 0 338.383 2.087 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896302 1372573930 /nfs/dbraw/zinc/57/39/30/1372573930.db2.gz KKOWYQNOZRECBW-PLQHRBFRSA-N 1 0 345.403 2.481 20 5 EEBDRO C[NH+](C)CCCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582191 1373158767 /nfs/dbraw/zinc/15/87/67/1373158767.db2.gz GSFAVDRMWAEHQD-UHFFFAOYSA-N 1 0 331.319 2.024 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CCC1)C1C[NH2+]C1 ZINC001576300233 1403563650 /nfs/dbraw/zinc/56/36/50/1403563650.db2.gz JORLWJVVUNVAOM-LLVKDONJSA-N 1 0 335.429 2.428 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881374 1403615316 /nfs/dbraw/zinc/61/53/16/1403615316.db2.gz UDSPJIYNQLPVEO-GARJFASQSA-N 1 0 327.331 2.284 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC001580223681 1403850389 /nfs/dbraw/zinc/85/03/89/1403850389.db2.gz ZLTHXISUJNBACU-CYBMUJFWSA-N 1 0 325.796 2.424 20 5 EEBDRO CN(CCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100244306 1410536355 /nfs/dbraw/zinc/53/63/55/1410536355.db2.gz GXTCPVVJFWJDQI-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc([N+](=O)[O-])n1)C2 ZINC001164809828 720087541 /nfs/dbraw/zinc/08/75/41/720087541.db2.gz KRMKFQCNWYBRDF-YJBOKZPZSA-N 1 0 346.431 2.175 20 5 EEBDRO O=C(c1ccon1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997568802 790297473 /nfs/dbraw/zinc/29/74/73/790297473.db2.gz AKFRBTDHYQDZNN-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846934254 790736460 /nfs/dbraw/zinc/73/64/60/790736460.db2.gz AGQKJVAYUZKCLR-UHFFFAOYSA-N 1 0 325.384 2.059 20 5 EEBDRO CCOCCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204758973 781724205 /nfs/dbraw/zinc/72/42/05/781724205.db2.gz QLSRKEZBAMVLAB-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO [NH3+]CCN(Cc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000816610606 784150967 /nfs/dbraw/zinc/15/09/67/784150967.db2.gz RBACTTFSXMTWBD-UHFFFAOYSA-N 1 0 325.319 2.022 20 5 EEBDRO CC(C)(CC(F)F)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129163929 784332507 /nfs/dbraw/zinc/33/25/07/784332507.db2.gz WZZMJRYYKSDUOC-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000818532967 785274596 /nfs/dbraw/zinc/27/45/96/785274596.db2.gz XWHJLIUIITWIPH-NXEZZACHSA-N 1 0 343.786 2.434 20 5 EEBDRO C[C@@]1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000818571023 785296377 /nfs/dbraw/zinc/29/63/77/785296377.db2.gz GJELHANBWCRQJX-OAHLLOKOSA-N 1 0 343.786 2.436 20 5 EEBDRO CC(C)(C)[S@@](=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819055073 785377891 /nfs/dbraw/zinc/37/78/91/785377891.db2.gz CHNIPNGSJQZCRF-QHCPKHFHSA-N 1 0 341.433 2.060 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000819160733 785438132 /nfs/dbraw/zinc/43/81/32/785438132.db2.gz ISYHWCXQXGBUCR-AWEZNQCLSA-N 1 0 337.763 2.345 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173265 785447346 /nfs/dbraw/zinc/44/73/46/785447346.db2.gz LMWCUQAGIKIKHD-RHSMWYFYSA-N 1 0 347.415 2.151 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000819255885 785469568 /nfs/dbraw/zinc/46/95/68/785469568.db2.gz GHDMSDMSIBCRHO-NVXWUHKLSA-N 1 0 332.404 2.391 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000819265107 785499225 /nfs/dbraw/zinc/49/92/25/785499225.db2.gz BHFFULSDTMLIPX-YJBOKZPZSA-N 1 0 328.368 2.481 20 5 EEBDRO COC(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819372910 785537578 /nfs/dbraw/zinc/53/75/78/785537578.db2.gz HFPURVDPUCAKLS-ZDUSSCGKSA-N 1 0 336.369 2.266 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C(C)(C)[C@@H]([NH3+])c2ccccc2)n1 ZINC000823089218 787560953 /nfs/dbraw/zinc/56/09/53/787560953.db2.gz RXLHTZCMEUYMPL-LBPRGKRZSA-N 1 0 342.359 2.356 20 5 EEBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911678703 787630971 /nfs/dbraw/zinc/63/09/71/787630971.db2.gz UBDUIRSZHNRXGJ-IRXDYDNUSA-N 1 0 329.400 2.441 20 5 EEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824708969 788282732 /nfs/dbraw/zinc/28/27/32/788282732.db2.gz LOPHGJOZVHDFMH-RDTXWAMCSA-N 1 0 349.431 2.205 20 5 EEBDRO CCCc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001171072094 788355906 /nfs/dbraw/zinc/35/59/06/788355906.db2.gz PWJGUIPLBHDGCP-UHFFFAOYSA-N 1 0 346.387 2.445 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000843849729 788688948 /nfs/dbraw/zinc/68/89/48/788688948.db2.gz AYZCQRXSIAOKIE-NSHDSACASA-N 1 0 348.359 2.192 20 5 EEBDRO C[NH+]1C[C@@]2(C)CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000913294248 788772635 /nfs/dbraw/zinc/77/26/35/788772635.db2.gz JNYKOAJTTLAGKW-IRXDYDNUSA-N 1 0 349.456 2.487 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168545896 789124231 /nfs/dbraw/zinc/12/42/31/789124231.db2.gz RLPHBIDIIFSWTC-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000158018145 790116044 /nfs/dbraw/zinc/11/60/44/790116044.db2.gz PURXPRQMKWLMFV-ZBFHGGJFSA-N 1 0 333.436 2.314 20 5 EEBDRO CCCc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001147939994 792044749 /nfs/dbraw/zinc/04/47/49/792044749.db2.gz OFWKHKBFUHHDQB-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO COc1cc(C)ccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148455639 792437064 /nfs/dbraw/zinc/43/70/64/792437064.db2.gz FFGWFZLGZQRLOX-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO Cc1ccc(NCCNC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001093994325 795843722 /nfs/dbraw/zinc/84/37/22/795843722.db2.gz GIJJUZGVXKAWHW-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001110158562 796321960 /nfs/dbraw/zinc/32/19/60/796321960.db2.gz LDDJJSZXWJWZGN-UHFFFAOYSA-N 1 0 334.420 2.304 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)C[NH+]1CCCC1 ZINC001106776896 796509089 /nfs/dbraw/zinc/50/90/89/796509089.db2.gz FXHMMFMTLZCXTK-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172898938 797128388 /nfs/dbraw/zinc/12/83/88/797128388.db2.gz JUSGGGWYRMJJEN-IAGOWNOFSA-N 1 0 331.416 2.443 20 5 EEBDRO COC(=O)[C@@]1(F)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907767 797133458 /nfs/dbraw/zinc/13/34/58/797133458.db2.gz HZJNBBGVSHRELJ-WMLDXEAASA-N 1 0 336.363 2.429 20 5 EEBDRO Cc1ccc(OCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001150138007 797267135 /nfs/dbraw/zinc/26/71/35/797267135.db2.gz YYGJRABTQFQINV-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@](C)(CO)C2)c1F ZINC001173181760 797279735 /nfs/dbraw/zinc/27/97/35/797279735.db2.gz PNZVMBZHNCAZPM-MEDUHNTESA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)Nc2nccnc2C[NH3+])c1F ZINC001173184190 797280275 /nfs/dbraw/zinc/28/02/75/797280275.db2.gz OWVUOUFIGMZVMA-VIFPVBQESA-N 1 0 335.339 2.034 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCc3nn(C)cc3C2)c1F ZINC001173187572 797281118 /nfs/dbraw/zinc/28/11/18/797281118.db2.gz ADKSUPYBPLBZOZ-NSHDSACASA-N 1 0 348.378 2.465 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC001173198345 797284579 /nfs/dbraw/zinc/28/45/79/797284579.db2.gz YVWUBYGIBLWNGT-RWMBFGLXSA-N 1 0 337.395 2.452 20 5 EEBDRO COc1ncnc2c1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173228141 797311849 /nfs/dbraw/zinc/31/18/49/797311849.db2.gz QYNFHIJARYLNKR-ZDUSSCGKSA-N 1 0 342.399 2.425 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001173212269 797314900 /nfs/dbraw/zinc/31/49/00/797314900.db2.gz YSIUDYLGDLWBFT-MLGOLLRUSA-N 1 0 330.388 2.163 20 5 EEBDRO C[NH+](C)CCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095246394 797557810 /nfs/dbraw/zinc/55/78/10/797557810.db2.gz ONMHUONRGLYFNU-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CCN(CCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)C1([NH+](C)C)CCC1 ZINC001106873938 797633127 /nfs/dbraw/zinc/63/31/27/797633127.db2.gz LGAQNWSFJRVFJO-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCc1noc(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175897395 798266792 /nfs/dbraw/zinc/26/67/92/798266792.db2.gz GFPBORKVIWDXME-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO C[NH+]1CCC(ONC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000823764913 798763792 /nfs/dbraw/zinc/76/37/92/798763792.db2.gz OIBRAUAEKYZMNJ-UHFFFAOYSA-N 1 0 331.731 2.143 20 5 EEBDRO O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449686 799458667 /nfs/dbraw/zinc/45/86/67/799458667.db2.gz DKPJKBRMINHPMM-HZPDHXFCSA-N 1 0 325.453 2.498 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnon1 ZINC001179856577 800134214 /nfs/dbraw/zinc/13/42/14/800134214.db2.gz PXTSQIFFNOKDNF-UHFFFAOYSA-N 1 0 347.375 2.058 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922591359 801437622 /nfs/dbraw/zinc/43/76/22/801437622.db2.gz DQBKKYZOSVABRM-ZDUSSCGKSA-N 1 0 327.812 2.449 20 5 EEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000786838665 806927859 /nfs/dbraw/zinc/92/78/59/806927859.db2.gz RKVXETANSKZTLV-UHFFFAOYSA-N 1 0 330.388 2.267 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001086027795 801970052 /nfs/dbraw/zinc/97/00/52/801970052.db2.gz IBSLDCFRZVFEHT-OKILXGFUSA-N 1 0 328.372 2.221 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC001086043026 802003566 /nfs/dbraw/zinc/00/35/66/802003566.db2.gz JHEHCZXDWIQKBP-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001086301171 802694277 /nfs/dbraw/zinc/69/42/77/802694277.db2.gz WAXCCLWOJSYNBI-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984274 803547941 /nfs/dbraw/zinc/54/79/41/803547941.db2.gz LPCHEFHRFIHCKR-XDQVBPFNSA-N 1 0 327.425 2.467 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Br)cn2)C1 ZINC001168970956 803554683 /nfs/dbraw/zinc/55/46/83/803554683.db2.gz JIIORQZAZCUEOA-GXFFZTMASA-N 1 0 328.210 2.422 20 5 EEBDRO COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168993550 803561622 /nfs/dbraw/zinc/56/16/22/803561622.db2.gz NCMZWTTUIVMPCY-UAGQMJEPSA-N 1 0 333.432 2.305 20 5 EEBDRO COc1ccc(Cn2cncc2C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168996545 803562400 /nfs/dbraw/zinc/56/24/00/803562400.db2.gz VVNIJFCXXANGQZ-CVEARBPZSA-N 1 0 344.415 2.475 20 5 EEBDRO COc1ccccc1Cn1cncc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997431 803563461 /nfs/dbraw/zinc/56/34/61/803563461.db2.gz ZILQEXLDPWNPAV-HOCLYGCPSA-N 1 0 344.415 2.475 20 5 EEBDRO Cc1cccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168999994 803565194 /nfs/dbraw/zinc/56/51/94/803565194.db2.gz WRLVGTQIGHXQSJ-HOTGVXAUSA-N 1 0 333.432 2.473 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010125 803570814 /nfs/dbraw/zinc/57/08/14/803570814.db2.gz BJNSAHSDLZKJCM-GBJTYRQASA-N 1 0 339.436 2.373 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Br)nc2)C1 ZINC001168990177 803573808 /nfs/dbraw/zinc/57/38/08/803573808.db2.gz YAHINDDLGXPKOI-RYUDHWBXSA-N 1 0 328.210 2.422 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037533 803581372 /nfs/dbraw/zinc/58/13/72/803581372.db2.gz SBUBPQQEXPUUDO-DGAVXFQQSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccccc3nc2N2CC[NH2+]CC2)C1 ZINC001169038772 803581888 /nfs/dbraw/zinc/58/18/88/803581888.db2.gz KIWYHGPNFUBYSV-ZIAGYGMSSA-N 1 0 329.404 2.064 20 5 EEBDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169021573 803588219 /nfs/dbraw/zinc/58/82/19/803588219.db2.gz LQCJPNYYSHRAJX-BQFCYCMXSA-N 1 0 335.448 2.156 20 5 EEBDRO CCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001169488850 803812176 /nfs/dbraw/zinc/81/21/76/803812176.db2.gz GFALIDSJIFTBMZ-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787500723 807131042 /nfs/dbraw/zinc/13/10/42/807131042.db2.gz DXRGZPMEGHRBFN-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000787673606 807177106 /nfs/dbraw/zinc/17/71/06/807177106.db2.gz AEMZWNSDHUCQDO-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)O1 ZINC001170276176 809861199 /nfs/dbraw/zinc/86/11/99/809861199.db2.gz BMKMHNRAPSXGPJ-BRWVUGGUSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312179 809885794 /nfs/dbraw/zinc/88/57/94/809885794.db2.gz DLCNROAUKDIFFJ-LRDDRELGSA-N 1 0 331.372 2.253 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nc1C ZINC001131389309 812776212 /nfs/dbraw/zinc/77/62/12/812776212.db2.gz ZRZFAZWNBMSHSJ-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000183755030 529394590 /nfs/dbraw/zinc/39/45/90/529394590.db2.gz SXWNDTLLFAVWKR-QGZVFWFLSA-N 1 0 343.431 2.388 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000174698394 231282520 /nfs/dbraw/zinc/28/25/20/231282520.db2.gz QXRIONQMVFUSDC-QGZVFWFLSA-N 1 0 346.362 2.081 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000181581054 234240803 /nfs/dbraw/zinc/24/08/03/234240803.db2.gz VSAWBSMZHIMXBR-ZDUSSCGKSA-N 1 0 327.768 2.201 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183343139 235019388 /nfs/dbraw/zinc/01/93/88/235019388.db2.gz YTKQVBXEFZOXCY-NSHDSACASA-N 1 0 334.376 2.375 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184104459 235307614 /nfs/dbraw/zinc/30/76/14/235307614.db2.gz BUBRKGLPCLXYAO-UHFFFAOYSA-N 1 0 336.388 2.103 20 5 EEBDRO C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000193896060 240350803 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335.407 2.314 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000426874013 241351813 /nfs/dbraw/zinc/35/18/13/241351813.db2.gz FTRLTSFDLSHPSS-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO CCCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000236789433 242358293 /nfs/dbraw/zinc/35/82/93/242358293.db2.gz TURCHTBZSKYPTD-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C(N)=O)c1 ZINC000449057098 242484018 /nfs/dbraw/zinc/48/40/18/242484018.db2.gz AYOFZMHOIZSBHJ-ZDUSSCGKSA-N 1 0 327.384 2.457 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451699295 243209463 /nfs/dbraw/zinc/20/94/63/243209463.db2.gz UUEXONUFHOWALS-KBXIAJHMSA-N 1 0 347.415 2.405 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645458 243188600 /nfs/dbraw/zinc/18/86/00/243188600.db2.gz AVJLLODIVUVSFD-ZFWWWQNUSA-N 1 0 338.429 2.162 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342915145 284061476 /nfs/dbraw/zinc/06/14/76/284061476.db2.gz PBIVPCAKDIUYGJ-TZMCWYRMSA-N 1 0 328.372 2.433 20 5 EEBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000112079695 220239641 /nfs/dbraw/zinc/23/96/41/220239641.db2.gz CINANIGJNPHMJQ-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264358924 246398026 /nfs/dbraw/zinc/39/80/26/246398026.db2.gz DKUDAPPAUIECDD-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO CCOc1cc(C(=O)N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000494717153 247010396 /nfs/dbraw/zinc/01/03/96/247010396.db2.gz BIQDQJVDFUEVNI-NSHDSACASA-N 1 0 339.392 2.249 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCOCC3)o2)cc1 ZINC000265199174 247291583 /nfs/dbraw/zinc/29/15/83/247291583.db2.gz AFKWPEKHDXTGMD-UHFFFAOYSA-N 1 0 332.356 2.486 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000266642785 248395156 /nfs/dbraw/zinc/39/51/56/248395156.db2.gz UXHIOSPMIFUBLD-ZIAGYGMSSA-N 1 0 334.420 2.195 20 5 EEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824200 218071890 /nfs/dbraw/zinc/07/18/90/218071890.db2.gz CEJJOVZNAKKGAL-UHFFFAOYSA-N 1 0 343.387 2.068 20 5 EEBDRO O=C1NCCCN1C1CC[NH+](CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000093668887 218241681 /nfs/dbraw/zinc/24/16/81/218241681.db2.gz JGVWXODVZRZPOK-ZZXKWVIFSA-N 1 0 344.415 2.488 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000368949939 285111256 /nfs/dbraw/zinc/11/12/56/285111256.db2.gz KQZULESQIXGHDX-ZWKOTPCHSA-N 1 0 333.432 2.370 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179736931 285189991 /nfs/dbraw/zinc/18/99/91/285189991.db2.gz INUHWMPXBLLVHV-QGZVFWFLSA-N 1 0 344.371 2.303 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H](C)C1 ZINC000171694209 533138590 /nfs/dbraw/zinc/13/85/90/533138590.db2.gz STHFMGRGDXXZDW-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO Cc1cccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000267303785 256047236 /nfs/dbraw/zinc/04/72/36/256047236.db2.gz YJBVXEKCPCXYMR-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491572 256140385 /nfs/dbraw/zinc/14/03/85/256140385.db2.gz MIMYLOVIBUQDLJ-JLZZUVOBSA-N 1 0 345.399 2.471 20 5 EEBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000270860742 256180555 /nfs/dbraw/zinc/18/05/55/256180555.db2.gz ICGNFSFCXXXVRO-RBZYPMLTSA-N 1 0 341.795 2.278 20 5 EEBDRO CCc1nn(C)c(N2CC[NH+](CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000271216445 256221052 /nfs/dbraw/zinc/22/10/52/256221052.db2.gz BYZZZBYZRRUGAV-UHFFFAOYSA-N 1 0 349.460 2.317 20 5 EEBDRO CN(C(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058120 256261032 /nfs/dbraw/zinc/26/10/32/256261032.db2.gz LWUKXFBZMCYNIA-IAGOWNOFSA-N 1 0 333.388 2.105 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2Cc3ccccc3C2)cc1 ZINC000273412504 256294653 /nfs/dbraw/zinc/29/46/53/256294653.db2.gz IBPAVEZOJXPHEB-UHFFFAOYSA-N 1 0 346.408 2.126 20 5 EEBDRO COC(=O)c1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000276799261 256468765 /nfs/dbraw/zinc/46/87/65/256468765.db2.gz QOLJJDLITPNTBW-ZDUSSCGKSA-N 1 0 348.403 2.089 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262514029 152287446 /nfs/dbraw/zinc/28/74/46/152287446.db2.gz QNQNCCRYMFAOGT-UHFFFAOYSA-N 1 0 347.293 2.018 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000339472268 152546747 /nfs/dbraw/zinc/54/67/47/152546747.db2.gz XAHAZSZXDVRLHE-HNNXBMFYSA-N 1 0 349.406 2.467 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072823334 159045383 /nfs/dbraw/zinc/04/53/83/159045383.db2.gz XLXKMRYVVIOUID-OAHLLOKOSA-N 1 0 348.447 2.221 20 5 EEBDRO CN(C(=O)CN1CCC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000077314972 159099043 /nfs/dbraw/zinc/09/90/43/159099043.db2.gz UMWZCQZJZKGKMF-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000081362270 159151683 /nfs/dbraw/zinc/15/16/83/159151683.db2.gz PKVQVTKJJYBEIU-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000190324112 160157909 /nfs/dbraw/zinc/15/79/09/160157909.db2.gz HSNRFJAVXQKEOP-TXEJJXNPSA-N 1 0 340.449 2.377 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342215903 161048020 /nfs/dbraw/zinc/04/80/20/161048020.db2.gz KFMOHLHSPSSMFO-UHFFFAOYSA-N 1 0 343.387 2.217 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342649505 161080561 /nfs/dbraw/zinc/08/05/61/161080561.db2.gz GIVIJNPCKIZSNS-LLVKDONJSA-N 1 0 338.795 2.284 20 5 EEBDRO CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343629349 161152759 /nfs/dbraw/zinc/15/27/59/161152759.db2.gz UAMZDKPVQBDWHU-HZPDHXFCSA-N 1 0 333.388 2.201 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000343759500 161165739 /nfs/dbraw/zinc/16/57/39/161165739.db2.gz CNNBKHQXXPEBLJ-RYUDHWBXSA-N 1 0 333.388 2.349 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344843246 161250166 /nfs/dbraw/zinc/25/01/66/161250166.db2.gz FPBUROOYQPKKBB-FSBNRTBOSA-N 1 0 326.418 2.411 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000345313044 161291095 /nfs/dbraw/zinc/29/10/95/161291095.db2.gz MOQLXEQDCQFSQZ-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO Cn1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000345409827 161299857 /nfs/dbraw/zinc/29/98/57/161299857.db2.gz SMKHIFHLKVGPAV-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCOCC(F)(F)F)C2)nc1 ZINC000345672123 161321448 /nfs/dbraw/zinc/32/14/48/161321448.db2.gz ZEYYGSHZDFOMNR-NSHDSACASA-N 1 0 348.325 2.445 20 5 EEBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000345673831 161321562 /nfs/dbraw/zinc/32/15/62/161321562.db2.gz SOFMYVGLKMUDBU-LBPRGKRZSA-N 1 0 329.784 2.183 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CCCCC1 ZINC000345888865 161339991 /nfs/dbraw/zinc/33/99/91/161339991.db2.gz RRRWICJGMQNFPX-UHFFFAOYSA-N 1 0 335.404 2.402 20 5 EEBDRO CC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](CC)CC ZINC000345945339 161344347 /nfs/dbraw/zinc/34/43/47/161344347.db2.gz BCZGWAFSTPPOCL-HNNXBMFYSA-N 1 0 348.447 2.364 20 5 EEBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000346330392 161363676 /nfs/dbraw/zinc/36/36/76/161363676.db2.gz KIESEGACGUSILR-NSHDSACASA-N 1 0 340.376 2.386 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000360901649 164398934 /nfs/dbraw/zinc/39/89/34/164398934.db2.gz MKNMFEHSLCRJND-UHFFFAOYSA-N 1 0 337.424 2.177 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000369067100 166181943 /nfs/dbraw/zinc/18/19/43/166181943.db2.gz UDZKVYPDKNTDHB-AWEZNQCLSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000369771335 166328668 /nfs/dbraw/zinc/32/86/68/166328668.db2.gz GTDJBPLBLDHERA-SJORKVTESA-N 1 0 340.383 2.126 20 5 EEBDRO COCC1(O)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272786447 269020525 /nfs/dbraw/zinc/02/05/25/269020525.db2.gz BHUWRLLCBRSGJL-UHFFFAOYSA-N 1 0 331.372 2.429 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000274513491 269037249 /nfs/dbraw/zinc/03/72/49/269037249.db2.gz LPXGNUNFRRZQGA-UHFFFAOYSA-N 1 0 340.811 2.484 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000278153501 269211362 /nfs/dbraw/zinc/21/13/62/269211362.db2.gz BPYADTDPQWZKIF-JTQLQIEISA-N 1 0 328.294 2.459 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278233477 269217583 /nfs/dbraw/zinc/21/75/83/269217583.db2.gz KMVXUXMZHXBGBU-PSASIEDQSA-N 1 0 331.294 2.484 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278840086 269246018 /nfs/dbraw/zinc/24/60/18/269246018.db2.gz KVHIXKIRCZPDTO-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279294433 269268515 /nfs/dbraw/zinc/26/85/15/269268515.db2.gz KQYJAIFZILYLHB-GFCCVEGCSA-N 1 0 331.294 2.324 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279673202 269299390 /nfs/dbraw/zinc/29/93/90/269299390.db2.gz NQJVPJSOSCQNNG-GFCCVEGCSA-N 1 0 326.418 2.083 20 5 EEBDRO C[NH+](C)CC1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000281124512 269405977 /nfs/dbraw/zinc/40/59/77/269405977.db2.gz SQKRHBPDGQWQKX-UHFFFAOYSA-N 1 0 330.388 2.219 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275429810 274247867 /nfs/dbraw/zinc/24/78/67/274247867.db2.gz IXIRRXITFGPGMR-DOMZBBRYSA-N 1 0 335.404 2.323 20 5 EEBDRO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000278401997 274352728 /nfs/dbraw/zinc/35/27/28/274352728.db2.gz MZNRNBWQGJJUKI-JTQLQIEISA-N 1 0 347.341 2.056 20 5 EEBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555389 274371989 /nfs/dbraw/zinc/37/19/89/274371989.db2.gz BXGXVPZFMVXZMJ-PXAZEXFGSA-N 1 0 332.356 2.484 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343421555 274762917 /nfs/dbraw/zinc/76/29/17/274762917.db2.gz CVWRWHXPCDYPBN-JKSUJKDBSA-N 1 0 332.448 2.365 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291395663 275301317 /nfs/dbraw/zinc/30/13/17/275301317.db2.gz BMXFNNGHIWOTQT-OAHLLOKOSA-N 1 0 343.387 2.375 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000106478800 276201878 /nfs/dbraw/zinc/20/18/78/276201878.db2.gz XKFLYHRDQJBIIZ-AWEZNQCLSA-N 1 0 338.839 2.464 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414343114 276387530 /nfs/dbraw/zinc/38/75/30/276387530.db2.gz QIDRQKHCSCZYDA-CYBMUJFWSA-N 1 0 328.434 2.330 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237244737 277284680 /nfs/dbraw/zinc/28/46/80/277284680.db2.gz FORKGUSMXHGEPS-CMPLNLGQSA-N 1 0 341.795 2.226 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000133646248 277300072 /nfs/dbraw/zinc/30/00/72/277300072.db2.gz HINLLHQDJUXRGU-VIFPVBQESA-N 1 0 342.193 2.181 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000492311167 278148097 /nfs/dbraw/zinc/14/80/97/278148097.db2.gz HHEUAVJOCOHVOO-FHFZEBMASA-N 1 0 335.429 2.112 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263316188 279168534 /nfs/dbraw/zinc/16/85/34/279168534.db2.gz ZMSSTCTZORASRC-KBXCAEBGSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCS(C)(=O)=O ZINC000449255909 279382078 /nfs/dbraw/zinc/38/20/78/279382078.db2.gz HDJJGXXYLJGWHM-CYBMUJFWSA-N 1 0 328.434 2.330 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570432 293242059 /nfs/dbraw/zinc/24/20/59/293242059.db2.gz DMMPVEHQGAVVLU-SMDDNHRTSA-N 1 0 349.362 2.407 20 5 EEBDRO COc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000297250895 294192954 /nfs/dbraw/zinc/19/29/54/294192954.db2.gz TYIGJLPHBLVEGV-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000299588374 294781022 /nfs/dbraw/zinc/78/10/22/294781022.db2.gz FDUHPKASRGBMJD-QGZVFWFLSA-N 1 0 325.368 2.486 20 5 EEBDRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000299649125 294795787 /nfs/dbraw/zinc/79/57/87/294795787.db2.gz SBLFNGBASUGYRR-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301188385 294831659 /nfs/dbraw/zinc/83/16/59/294831659.db2.gz KOGABMISXPCNHD-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301761303 294890925 /nfs/dbraw/zinc/89/09/25/294890925.db2.gz CSNCIIBOSDAWTN-KRWDZBQOSA-N 1 0 345.403 2.085 20 5 EEBDRO NC(=O)c1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000342774183 295188100 /nfs/dbraw/zinc/18/81/00/295188100.db2.gz BUQILDBIPHDSKT-WFASDCNBSA-N 1 0 344.415 2.147 20 5 EEBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859459 311347339 /nfs/dbraw/zinc/34/73/39/311347339.db2.gz KQOBHLSHKUVHIY-GXTWGEPZSA-N 1 0 325.434 2.363 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342304036 312263941 /nfs/dbraw/zinc/26/39/41/312263941.db2.gz DIDDDTZGESUTFI-QWHCGFSZSA-N 1 0 337.445 2.486 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411242418 312517691 /nfs/dbraw/zinc/51/76/91/312517691.db2.gz RKADNRMVFRAHPV-DLBZAZTESA-N 1 0 329.400 2.441 20 5 EEBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414519912 313035845 /nfs/dbraw/zinc/03/58/45/313035845.db2.gz CRLDIXJFNYKYJJ-WBMJQRKESA-N 1 0 326.393 2.497 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415768420 313181992 /nfs/dbraw/zinc/18/19/92/313181992.db2.gz VMGYSHIAEAEGRQ-QMTHXVAHSA-N 1 0 336.392 2.392 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000417707991 313572279 /nfs/dbraw/zinc/57/22/79/313572279.db2.gz BMCFKLWJLSTRNE-CJNGLKHVSA-N 1 0 334.420 2.296 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420940752 314003616 /nfs/dbraw/zinc/00/36/16/314003616.db2.gz NDXVLFQCSWGJIF-OCCSQVGLSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C[NH3+] ZINC000430577193 314549524 /nfs/dbraw/zinc/54/95/24/314549524.db2.gz YQSCRZOWHDXHKA-FZMZJTMJSA-N 1 0 331.376 2.204 20 5 EEBDRO Cc1cc(OCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431561326 314642361 /nfs/dbraw/zinc/64/23/61/314642361.db2.gz PULPYJCDKHCQLE-UHFFFAOYSA-N 1 0 335.404 2.274 20 5 EEBDRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000435234223 314888865 /nfs/dbraw/zinc/88/88/65/314888865.db2.gz ZEIKKTXGTRMJSM-GFCCVEGCSA-N 1 0 338.795 2.013 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435233885 314888921 /nfs/dbraw/zinc/88/89/21/314888921.db2.gz XXQFSITVBXZMOS-AWEZNQCLSA-N 1 0 330.388 2.136 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](CC)C(C)C ZINC000444165035 315278257 /nfs/dbraw/zinc/27/82/57/315278257.db2.gz FLRPUNAZGDRZSA-UHFFFAOYSA-N 1 0 343.449 2.166 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444678385 315316170 /nfs/dbraw/zinc/31/61/70/315316170.db2.gz WUSLPYPOOTWAJD-WMLDXEAASA-N 1 0 348.403 2.127 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000449193365 315429605 /nfs/dbraw/zinc/42/96/05/315429605.db2.gz NHJXBEBQTZUVBN-UHFFFAOYSA-N 1 0 343.156 2.483 20 5 EEBDRO CCc1noc(CC)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514824803 316426874 /nfs/dbraw/zinc/42/68/74/316426874.db2.gz BCLCEZMRYYVZKM-ZDUSSCGKSA-N 1 0 349.387 2.237 20 5 EEBDRO CNc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000516388584 316555294 /nfs/dbraw/zinc/55/52/94/316555294.db2.gz VCDNUWGKQVFVSN-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CN(C)c1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525783404 317076442 /nfs/dbraw/zinc/07/64/42/317076442.db2.gz UROORHGAPANSPN-UHFFFAOYSA-N 1 0 341.415 2.378 20 5 EEBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225702 318053247 /nfs/dbraw/zinc/05/32/47/318053247.db2.gz JHKFQAKGBHGGII-HIFRSBDPSA-N 1 0 348.403 2.290 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000546705246 318262333 /nfs/dbraw/zinc/26/23/33/318262333.db2.gz RJGYLDYQRGDCHZ-NSHDSACASA-N 1 0 331.376 2.180 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548394547 318385023 /nfs/dbraw/zinc/38/50/23/318385023.db2.gz QVIMLVVNCVPEOW-HNNXBMFYSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000564077128 319065410 /nfs/dbraw/zinc/06/54/10/319065410.db2.gz INJQUSFRFVMDOV-CQSZACIVSA-N 1 0 344.458 2.244 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CC(F)(F)C2)cc1 ZINC000567494643 319385050 /nfs/dbraw/zinc/38/50/50/319385050.db2.gz VHLLUIHYCJJJOD-UHFFFAOYSA-N 1 0 334.344 2.003 20 5 EEBDRO O=C(CC[NH2+]CCCCn1ccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000568975737 319534889 /nfs/dbraw/zinc/53/48/89/319534889.db2.gz LEUGMNYTFJYWTG-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC000571671434 319777432 /nfs/dbraw/zinc/77/74/32/319777432.db2.gz HRVPHIFWOUZJLR-QGZVFWFLSA-N 1 0 330.388 2.210 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000574308707 320014621 /nfs/dbraw/zinc/01/46/21/320014621.db2.gz ORIDDTLNVAEAPD-QGZVFWFLSA-N 1 0 345.399 2.061 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1SC ZINC000575052271 320083024 /nfs/dbraw/zinc/08/30/24/320083024.db2.gz HOTYFORVKJVEPD-SNVBAGLBSA-N 1 0 341.433 2.429 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382430229 323524960 /nfs/dbraw/zinc/52/49/60/323524960.db2.gz PNHDPBZWKLRXCY-LDYMZIIASA-N 1 0 342.193 2.215 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000578530350 323649340 /nfs/dbraw/zinc/64/93/40/323649340.db2.gz YGAUISRYRMPDEG-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000581306228 324226634 /nfs/dbraw/zinc/22/66/34/324226634.db2.gz WOJHMPXCHIFVGU-JLJPHGGASA-N 1 0 348.378 2.217 20 5 EEBDRO O=C(CC[N@@H+]1CCOC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000582120275 324385084 /nfs/dbraw/zinc/38/50/84/324385084.db2.gz MWYGNJCPMQZHKS-INIZCTEOSA-N 1 0 333.388 2.424 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COCc2ccccc2)c1 ZINC000583867224 324749432 /nfs/dbraw/zinc/74/94/32/324749432.db2.gz WIAFLRDMAQYBOA-SFHVURJKSA-N 1 0 330.384 2.305 20 5 EEBDRO C[NH+](C)[C@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCSC1 ZINC000486968232 447826931 /nfs/dbraw/zinc/82/69/31/447826931.db2.gz MMJYNNUTKKPJCT-HNNXBMFYSA-N 1 0 349.416 2.494 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843292 449874499 /nfs/dbraw/zinc/87/44/99/449874499.db2.gz ZDGVFVKEAUQHOE-ZDUSSCGKSA-N 1 0 345.403 2.451 20 5 EEBDRO CNc1nccc(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603407554 450284485 /nfs/dbraw/zinc/28/44/85/450284485.db2.gz VKUMMSDUTGGDCX-UHFFFAOYSA-N 1 0 349.435 2.370 20 5 EEBDRO C[NH+](C)CCN(CCCc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000354571024 465031755 /nfs/dbraw/zinc/03/17/55/465031755.db2.gz DNUPSVBSMSBBPO-UHFFFAOYSA-N 1 0 329.404 2.386 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCCC[C@H]1O ZINC000351199099 465090690 /nfs/dbraw/zinc/09/06/90/465090690.db2.gz HHKIZVSZRKYQGG-DZGCQCFKSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000347592412 465110398 /nfs/dbraw/zinc/11/03/98/465110398.db2.gz NGHSATNLIJAFFT-HZPDHXFCSA-N 1 0 343.431 2.386 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285799 465142455 /nfs/dbraw/zinc/14/24/55/465142455.db2.gz ZECZOMGRUAWERA-IUIKQTSFSA-N 1 0 335.404 2.207 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2conc2Cc2ccccc2)c1 ZINC000339302355 465196568 /nfs/dbraw/zinc/19/65/68/465196568.db2.gz FCCCFZLYCGAUKD-UHFFFAOYSA-N 1 0 327.344 2.160 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517620 465198271 /nfs/dbraw/zinc/19/82/71/465198271.db2.gz OLLLAFJJGMHRCF-ZIAGYGMSSA-N 1 0 331.376 2.468 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000358682602 465261635 /nfs/dbraw/zinc/26/16/35/465261635.db2.gz LSDPQWDMTFFYLJ-GDBMZVCRSA-N 1 0 332.404 2.329 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590658704 468298522 /nfs/dbraw/zinc/29/85/22/468298522.db2.gz YNUDBZQEWSPOCM-GLQYFDAESA-N 1 0 349.387 2.243 20 5 EEBDRO COC[C@](C)(CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000085902972 462563542 /nfs/dbraw/zinc/56/35/42/462563542.db2.gz ZTFCDXZNNVKKBA-KRWDZBQOSA-N 1 0 349.387 2.169 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000153472626 462654473 /nfs/dbraw/zinc/65/44/73/462654473.db2.gz UVZRFLXXJRVQPT-LBPRGKRZSA-N 1 0 328.372 2.215 20 5 EEBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000064335403 462695559 /nfs/dbraw/zinc/69/55/59/462695559.db2.gz RFFJHPVUILAPIE-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000089644902 462702547 /nfs/dbraw/zinc/70/25/47/462702547.db2.gz FBHKGVVKJBOIKA-CVEARBPZSA-N 1 0 328.372 2.037 20 5 EEBDRO CC(C)[C@H]1CN(C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000153956025 462712422 /nfs/dbraw/zinc/71/24/22/462712422.db2.gz WMBGQUPHRFDROQ-OAHLLOKOSA-N 1 0 337.445 2.486 20 5 EEBDRO CCNc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000154060744 462725954 /nfs/dbraw/zinc/72/59/54/462725954.db2.gz CTPCLGIDFMHDNI-MRXNPFEDSA-N 1 0 334.420 2.439 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090182827 462784760 /nfs/dbraw/zinc/78/47/60/462784760.db2.gz MUIVEZFTJGHZOY-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO CC(C)(C(=O)N1CC[NH+](C2CCCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000154839522 462815041 /nfs/dbraw/zinc/81/50/41/462815041.db2.gz IDSMRFBXKLCRHR-UHFFFAOYSA-N 1 0 349.435 2.003 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000065674620 462817631 /nfs/dbraw/zinc/81/76/31/462817631.db2.gz IREDOTNTEBHKCG-ZIAGYGMSSA-N 1 0 335.404 2.210 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066372732 462880717 /nfs/dbraw/zinc/88/07/17/462880717.db2.gz ZGMQNPZOKPKECV-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000155937136 462962014 /nfs/dbraw/zinc/96/20/14/462962014.db2.gz LQNWXUYMZUHCPC-KRWDZBQOSA-N 1 0 330.388 2.064 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000049969246 462980889 /nfs/dbraw/zinc/98/08/89/462980889.db2.gz CPKYRGGZLBRKJC-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000120396722 462994423 /nfs/dbraw/zinc/99/44/23/462994423.db2.gz OTSJJYABBYIEAK-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000017794026 463001372 /nfs/dbraw/zinc/00/13/72/463001372.db2.gz XAXSUQAPOSLOFZ-KRWDZBQOSA-N 1 0 327.384 2.498 20 5 EEBDRO COc1cc(C[NH2+][C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000156291605 463003595 /nfs/dbraw/zinc/00/35/95/463003595.db2.gz PGFDXXRFYVVSHM-MRVPVSSYSA-N 1 0 338.282 2.015 20 5 EEBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051909109 463054003 /nfs/dbraw/zinc/05/40/03/463054003.db2.gz DIQVCXSEHHZUNJ-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO Cc1cc(C)n(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000068808448 463178169 /nfs/dbraw/zinc/17/81/69/463178169.db2.gz DMEBXMAXLHYMRI-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000123122600 463318776 /nfs/dbraw/zinc/31/87/76/463318776.db2.gz SWMFEFKZUOAPCU-UHFFFAOYSA-N 1 0 346.330 2.481 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886452 463456329 /nfs/dbraw/zinc/45/63/29/463456329.db2.gz RBMXKDQODQZMIW-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081569740 463462943 /nfs/dbraw/zinc/46/29/43/463462943.db2.gz GBQZESLWZYDEST-OAHLLOKOSA-N 1 0 348.447 2.221 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000072608714 463525333 /nfs/dbraw/zinc/52/53/33/463525333.db2.gz RRYCJFFMFZPCHP-DLBZAZTESA-N 1 0 330.388 2.283 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000162793837 463538029 /nfs/dbraw/zinc/53/80/29/463538029.db2.gz DBHAHJJNSHSGOS-CQSZACIVSA-N 1 0 334.420 2.442 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000073448486 463614180 /nfs/dbraw/zinc/61/41/80/463614180.db2.gz VRRCDZYXOMONNQ-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000165107207 463639726 /nfs/dbraw/zinc/63/97/26/463639726.db2.gz WWZRADMEZDVTRM-DZGCQCFKSA-N 1 0 335.404 2.191 20 5 EEBDRO Nc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000126508920 463642686 /nfs/dbraw/zinc/64/26/86/463642686.db2.gz JURBETSASGQQGT-IUODEOHRSA-N 1 0 344.415 2.266 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152381592 463682739 /nfs/dbraw/zinc/68/27/39/463682739.db2.gz MHZNLSFFNYPXKD-CQSZACIVSA-N 1 0 334.420 2.115 20 5 EEBDRO NC(=O)CC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170732052 463700775 /nfs/dbraw/zinc/70/07/75/463700775.db2.gz VFSULOFZUWSSGH-CQSZACIVSA-N 1 0 335.404 2.341 20 5 EEBDRO CC(C)OCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283050387 463746684 /nfs/dbraw/zinc/74/66/84/463746684.db2.gz IXRUFJNARQNGCS-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000276884981 463793930 /nfs/dbraw/zinc/79/39/30/463793930.db2.gz JIXUTQCBOSMISI-HNNXBMFYSA-N 1 0 345.403 2.497 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000276915583 463805659 /nfs/dbraw/zinc/80/56/59/463805659.db2.gz PVTVWKVJXQVPMD-IINYFYTJSA-N 1 0 333.388 2.124 20 5 EEBDRO Cc1cnc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)s1 ZINC000185375479 463811704 /nfs/dbraw/zinc/81/17/04/463811704.db2.gz IRXOVJPBTGSGPK-AWEZNQCLSA-N 1 0 334.401 2.262 20 5 EEBDRO [NH3+]CCCCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281466 463827367 /nfs/dbraw/zinc/82/73/67/463827367.db2.gz UWQWVHVYULULGS-UHFFFAOYSA-N 1 0 334.420 2.153 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000283324137 463846325 /nfs/dbraw/zinc/84/63/25/463846325.db2.gz YTGOBFYZNPUYSQ-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000269113621 463879463 /nfs/dbraw/zinc/87/94/63/463879463.db2.gz GNCVFIXRWHBQAL-OAHLLOKOSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261880404 463886364 /nfs/dbraw/zinc/88/63/64/463886364.db2.gz UDTDAWVWVBHCFK-OLZOCXBDSA-N 1 0 332.404 2.004 20 5 EEBDRO CC(C)(NC(=O)c1csc(CC[NH3+])n1)c1ccc([N+](=O)[O-])cc1 ZINC000194820191 463935838 /nfs/dbraw/zinc/93/58/38/463935838.db2.gz QTIAMMIWORSKBW-UHFFFAOYSA-N 1 0 334.401 2.218 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000269558900 464019145 /nfs/dbraw/zinc/01/91/45/464019145.db2.gz ZVADAQMVOYPKCF-LBPRGKRZSA-N 1 0 337.424 2.388 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262725911 464039818 /nfs/dbraw/zinc/03/98/18/464039818.db2.gz ACEXLYLVOJQSQE-GXTWGEPZSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000270144551 464198526 /nfs/dbraw/zinc/19/85/26/464198526.db2.gz QJHAJVPBOKGFLL-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C2)CC1 ZINC000270157709 464203004 /nfs/dbraw/zinc/20/30/04/464203004.db2.gz ITTRCXOPCNZKGK-LBPRGKRZSA-N 1 0 331.376 2.299 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237185241 464280305 /nfs/dbraw/zinc/28/03/05/464280305.db2.gz IEGAKBPAVQUQPB-VXGBXAGGSA-N 1 0 349.387 2.346 20 5 EEBDRO C[C@@H](C[NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237325564 464303710 /nfs/dbraw/zinc/30/37/10/464303710.db2.gz UAZXIQCYMBPPBC-VIFPVBQESA-N 1 0 348.325 2.127 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000281081430 464324663 /nfs/dbraw/zinc/32/46/63/464324663.db2.gz CPOAJQMHDHZAAL-UHFFFAOYSA-N 1 0 340.383 2.435 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2(CO)CCC2)n1 ZINC000292842005 464361272 /nfs/dbraw/zinc/36/12/72/464361272.db2.gz UVPNCGXIACNMPN-MRXNPFEDSA-N 1 0 330.388 2.285 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000237713094 464367846 /nfs/dbraw/zinc/36/78/46/464367846.db2.gz WVRVJQSOWQJYIX-KCQAQPDRSA-N 1 0 346.431 2.250 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000281211951 464372592 /nfs/dbraw/zinc/37/25/92/464372592.db2.gz QJMWHROIZCFPEM-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264586829 464384029 /nfs/dbraw/zinc/38/40/29/464384029.db2.gz KWQWVLBMHDJMNX-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237824320 464385445 /nfs/dbraw/zinc/38/54/45/464385445.db2.gz CRDFHZNOBCBFBJ-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000281277713 464397345 /nfs/dbraw/zinc/39/73/45/464397345.db2.gz XIWGZZQNEWGULY-CQSZACIVSA-N 1 0 338.429 2.083 20 5 EEBDRO C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189029684 464417637 /nfs/dbraw/zinc/41/76/37/464417637.db2.gz ZGCAOZFZNZXYOC-JTQLQIEISA-N 1 0 327.381 2.500 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181290180 464466646 /nfs/dbraw/zinc/46/66/46/464466646.db2.gz YWYMDBXYHRYJQM-LLVKDONJSA-N 1 0 330.344 2.288 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000174962375 464473164 /nfs/dbraw/zinc/47/31/64/464473164.db2.gz YHNBRRPYGJXSSJ-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175057264 464487190 /nfs/dbraw/zinc/48/71/90/464487190.db2.gz CZASIBKYOIHARV-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000281582518 464511522 /nfs/dbraw/zinc/51/15/22/464511522.db2.gz NABPPLJUPCVCSU-UHFFFAOYSA-N 1 0 335.404 2.226 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272223011 464524524 /nfs/dbraw/zinc/52/45/24/464524524.db2.gz AHEWJEBPOWKBAL-LLVKDONJSA-N 1 0 349.387 2.126 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281716875 464558519 /nfs/dbraw/zinc/55/85/19/464558519.db2.gz QKTPGGGUCJPJBD-ZFWWWQNUSA-N 1 0 335.404 2.081 20 5 EEBDRO C[C@@H](CCCO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000294802386 464609642 /nfs/dbraw/zinc/60/96/42/464609642.db2.gz NABAOAJIMCLKAZ-ZDUSSCGKSA-N 1 0 332.404 2.494 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294836818 464620832 /nfs/dbraw/zinc/62/08/32/464620832.db2.gz FLFFDHBELSIXCO-UHFFFAOYSA-N 1 0 343.811 2.255 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000285634562 464636621 /nfs/dbraw/zinc/63/66/21/464636621.db2.gz AJZKBIIIBYSKFO-ZDUSSCGKSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000182391838 464642885 /nfs/dbraw/zinc/64/28/85/464642885.db2.gz BRLXYHPJBIMUDU-LBPRGKRZSA-N 1 0 335.385 2.114 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295029987 464683536 /nfs/dbraw/zinc/68/35/36/464683536.db2.gz VNMFHEDWXUDYTH-AWEZNQCLSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244424 464729871 /nfs/dbraw/zinc/72/98/71/464729871.db2.gz HRZQRCFRBCAGCO-JKSUJKDBSA-N 1 0 335.452 2.378 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1 ZINC000286133573 464815580 /nfs/dbraw/zinc/81/55/80/464815580.db2.gz VGYAMLKRTDFUIR-ZACQAIPSSA-N 1 0 342.399 2.296 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192122121 464868873 /nfs/dbraw/zinc/86/88/73/464868873.db2.gz SSZMASQWTHZVLE-DZGCQCFKSA-N 1 0 338.314 2.189 20 5 EEBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189254 464882393 /nfs/dbraw/zinc/88/23/93/464882393.db2.gz NVDXUBGYUSHVEV-STQMWFEESA-N 1 0 326.418 2.162 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183612702 464886876 /nfs/dbraw/zinc/88/68/76/464886876.db2.gz KWNUZRWVYMYZOF-CYBMUJFWSA-N 1 0 335.408 2.479 20 5 EEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000286364750 464892201 /nfs/dbraw/zinc/89/22/01/464892201.db2.gz LOYXPKACNPUKTI-HOTGVXAUSA-N 1 0 347.415 2.229 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000267182319 464920752 /nfs/dbraw/zinc/92/07/52/464920752.db2.gz FRWXZNZULRCOBS-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559359 464960296 /nfs/dbraw/zinc/96/02/96/464960296.db2.gz TUGZQNNHUDZCAX-ZBFHGGJFSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1c(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000282858321 464976477 /nfs/dbraw/zinc/97/64/77/464976477.db2.gz XJFIMSMCXPKPOJ-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593913247 468430615 /nfs/dbraw/zinc/43/06/15/468430615.db2.gz UPOAIVCPEZGKOX-LZWOXQAQSA-N 1 0 347.415 2.262 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000593915195 468431186 /nfs/dbraw/zinc/43/11/86/468431186.db2.gz SFCSBJLRNZCGEC-UGSOOPFHSA-N 1 0 344.415 2.370 20 5 EEBDRO Cc1cc(NC[C@H](C)c2nncn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000342961567 465417079 /nfs/dbraw/zinc/41/70/79/465417079.db2.gz QVZCJDOFCPFVHR-JTQLQIEISA-N 1 0 326.360 2.217 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000339742811 465481318 /nfs/dbraw/zinc/48/13/18/465481318.db2.gz NMSSZRHLLOLVDG-JTQLQIEISA-N 1 0 327.406 2.225 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352360968 465518734 /nfs/dbraw/zinc/51/87/34/465518734.db2.gz PHMUZUYWLMZYJH-HNNXBMFYSA-N 1 0 344.415 2.648 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824294 465534723 /nfs/dbraw/zinc/53/47/23/465534723.db2.gz FKNUUSQBHZYHBW-WBVHZDCISA-N 1 0 338.404 2.081 20 5 EEBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591284974 468438669 /nfs/dbraw/zinc/43/86/69/468438669.db2.gz IEYJCKXWUVTKOH-AWEZNQCLSA-N 1 0 341.367 2.256 20 5 EEBDRO COc1cc2[nH+]ccc(NCCn3cc([N+](=O)[O-])cn3)c2cc1OC ZINC000299009084 465562508 /nfs/dbraw/zinc/56/25/08/465562508.db2.gz SGKGCRKWADPJPE-UHFFFAOYSA-N 1 0 343.343 2.469 20 5 EEBDRO Cc1cc(NCCN2CCOCC2(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360924328 465634479 /nfs/dbraw/zinc/63/44/79/465634479.db2.gz ITUUMRWVTKGFOC-UHFFFAOYSA-N 1 0 344.415 2.396 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356973129 465670205 /nfs/dbraw/zinc/67/02/05/465670205.db2.gz IGCUHCDYTVYRGP-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000330560103 465706663 /nfs/dbraw/zinc/70/66/63/465706663.db2.gz IOUCMZWVPSJDFA-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1cccc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362428720 465730358 /nfs/dbraw/zinc/73/03/58/465730358.db2.gz KVXMQHLDVAZVGM-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361117792 465775522 /nfs/dbraw/zinc/77/55/22/465775522.db2.gz OLVXQRQQVARSSX-DZGCQCFKSA-N 1 0 337.807 2.295 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591358811 468457900 /nfs/dbraw/zinc/45/79/00/468457900.db2.gz HXNYYOKNJAFHNB-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000299734011 465875665 /nfs/dbraw/zinc/87/56/65/465875665.db2.gz ZFWYBGRJFMJISE-MRXNPFEDSA-N 1 0 349.387 2.043 20 5 EEBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000353523863 465952322 /nfs/dbraw/zinc/95/23/22/465952322.db2.gz CIDQFVBLCCZPNH-FRFSOERESA-N 1 0 343.431 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2c1 ZINC000301534500 465979332 /nfs/dbraw/zinc/97/93/32/465979332.db2.gz IOEIHUYWHPOEKN-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO Cc1nnc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000353577485 465988844 /nfs/dbraw/zinc/98/88/44/465988844.db2.gz BZYRMDQFMMTKJF-SNVBAGLBSA-N 1 0 349.416 2.304 20 5 EEBDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000301642648 466002277 /nfs/dbraw/zinc/00/22/77/466002277.db2.gz MRDHECFUOIUAMS-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000357406979 466011190 /nfs/dbraw/zinc/01/11/90/466011190.db2.gz OZTDRZYDCFIXDE-AWEZNQCLSA-N 1 0 337.424 2.122 20 5 EEBDRO CC[C@@H](C)[NH2+][C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543610 466117659 /nfs/dbraw/zinc/11/76/59/466117659.db2.gz HQGAKQIUJJKQQQ-PWSUYJOCSA-N 1 0 347.375 2.223 20 5 EEBDRO CC1(C)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CCO ZINC000302555571 466153266 /nfs/dbraw/zinc/15/32/66/466153266.db2.gz RRWGWZRYXIWKQG-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000331711972 466211079 /nfs/dbraw/zinc/21/10/79/466211079.db2.gz FYUPRYREAOMNQU-CQSZACIVSA-N 1 0 349.435 2.210 20 5 EEBDRO CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000569334261 468475475 /nfs/dbraw/zinc/47/54/75/468475475.db2.gz WGLXZCSYNXFAIZ-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000349810250 466251361 /nfs/dbraw/zinc/25/13/61/466251361.db2.gz LYJPOMMAPSAINQ-ZDUSSCGKSA-N 1 0 343.449 2.219 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331867443 466282665 /nfs/dbraw/zinc/28/26/65/466282665.db2.gz OFQLDNGLSNZGQV-UNEWFSDZSA-N 1 0 346.431 2.482 20 5 EEBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000367359937 466287264 /nfs/dbraw/zinc/28/72/64/466287264.db2.gz CXAOONQHRGGUIV-KRWDZBQOSA-N 1 0 335.404 2.408 20 5 EEBDRO Nc1ccc(-c2noc([C@H]3CCn4ccnc4C3)n2)cc1[N+](=O)[O-] ZINC000349919607 466308757 /nfs/dbraw/zinc/30/87/57/466308757.db2.gz ZBGYMCBDVYWFLY-JTQLQIEISA-N 1 0 326.316 2.154 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](CO)C3)o2)c1 ZINC000304662681 466309727 /nfs/dbraw/zinc/30/97/27/466309727.db2.gz ANUVLZPHSXCCRL-CYBMUJFWSA-N 1 0 331.372 2.497 20 5 EEBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000354079258 466336906 /nfs/dbraw/zinc/33/69/06/466336906.db2.gz DZHROYPCLYARAJ-UHFFFAOYSA-N 1 0 330.388 2.647 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000358036200 466403568 /nfs/dbraw/zinc/40/35/68/466403568.db2.gz KOGSMNUTWDHLFH-GXTWGEPZSA-N 1 0 326.418 2.083 20 5 EEBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000308649292 466498165 /nfs/dbraw/zinc/49/81/65/466498165.db2.gz XAZDRTVWQZJYHQ-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341002643 466504653 /nfs/dbraw/zinc/50/46/53/466504653.db2.gz ODBBZSUEZQWXBU-CQSZACIVSA-N 1 0 332.404 2.140 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000358195151 466531877 /nfs/dbraw/zinc/53/18/77/466531877.db2.gz CHDIPWIZEIXGAD-BBRMVZONSA-N 1 0 347.415 2.334 20 5 EEBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1CO ZINC000362080746 466539483 /nfs/dbraw/zinc/53/94/83/466539483.db2.gz YLUHSULHOYRFIH-JSGCOSHPSA-N 1 0 331.372 2.353 20 5 EEBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1CO ZINC000362080747 466540054 /nfs/dbraw/zinc/54/00/54/466540054.db2.gz YLUHSULHOYRFIH-TZMCWYRMSA-N 1 0 331.372 2.353 20 5 EEBDRO CC(C)(NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000591675141 468500857 /nfs/dbraw/zinc/50/08/57/468500857.db2.gz VTSKUSIGZUXFJP-LBPRGKRZSA-N 1 0 327.331 2.191 20 5 EEBDRO Cc1c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374515053 466660839 /nfs/dbraw/zinc/66/08/39/466660839.db2.gz ROSIYAWPVGEYBY-UHFFFAOYSA-N 1 0 348.359 2.027 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422942249 466687635 /nfs/dbraw/zinc/68/76/35/466687635.db2.gz WGCMQWRRJACSBL-UHFFFAOYSA-N 1 0 342.399 2.199 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423563863 466774577 /nfs/dbraw/zinc/77/45/77/466774577.db2.gz XKNROWATCBKSLD-ONGXEEELSA-N 1 0 343.836 2.455 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423726382 466815047 /nfs/dbraw/zinc/81/50/47/466815047.db2.gz UBTYUVFPPGHTLA-UONOGXRCSA-N 1 0 347.415 2.374 20 5 EEBDRO NC(=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417320664 466833240 /nfs/dbraw/zinc/83/32/40/466833240.db2.gz KHWYUZWKERWXQW-MRXNPFEDSA-N 1 0 347.415 2.234 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000417730002 466919664 /nfs/dbraw/zinc/91/96/64/466919664.db2.gz QSMURVFNFFPVLJ-UHFFFAOYSA-N 1 0 332.404 2.136 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000418137491 467055738 /nfs/dbraw/zinc/05/57/38/467055738.db2.gz RRMXVEAQLAHRMV-NSHDSACASA-N 1 0 345.346 2.041 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](n4ccnn4)C3)nc2c1 ZINC000425496253 467099265 /nfs/dbraw/zinc/09/92/65/467099265.db2.gz AHHXJUNUFPBEOE-GFCCVEGCSA-N 1 0 328.332 2.165 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1CC(C)(C)O ZINC000413248557 467196839 /nfs/dbraw/zinc/19/68/39/467196839.db2.gz OFFMZTCLQSHVOW-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431997450 467207689 /nfs/dbraw/zinc/20/76/89/467207689.db2.gz HIYSMYLXFNCHJY-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CC2)C1 ZINC000451097033 467247847 /nfs/dbraw/zinc/24/78/47/467247847.db2.gz YNAZRINMZISVHL-GFCCVEGCSA-N 1 0 329.404 2.387 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452118674 467329733 /nfs/dbraw/zinc/32/97/33/467329733.db2.gz PDGJZDHUGWIWTI-AWEZNQCLSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429775575 467369966 /nfs/dbraw/zinc/36/99/66/467369966.db2.gz PZJJNVPIPGHPFO-XJKSGUPXSA-N 1 0 335.404 2.041 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1C ZINC000420441426 467409491 /nfs/dbraw/zinc/40/94/91/467409491.db2.gz IMRRQLVXMCIHBN-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[NH2+]CCCO2)o1 ZINC000415031768 467471153 /nfs/dbraw/zinc/47/11/53/467471153.db2.gz FIRJVLCWKGMEQM-AWEZNQCLSA-N 1 0 331.372 2.323 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405355652 467481137 /nfs/dbraw/zinc/48/11/37/467481137.db2.gz QSXRGQBMYWEQSS-RISCZKNCSA-N 1 0 341.433 2.041 20 5 EEBDRO C[NH2+]C[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430954915 467481694 /nfs/dbraw/zinc/48/16/94/467481694.db2.gz YEFNBUSQEAKJPW-SNVBAGLBSA-N 1 0 345.346 2.246 20 5 EEBDRO COc1cccnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373550 467483008 /nfs/dbraw/zinc/48/30/08/467483008.db2.gz SKQLXFJSUKUWDP-GXTWGEPZSA-N 1 0 331.376 2.468 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449395682 467638307 /nfs/dbraw/zinc/63/83/07/467638307.db2.gz JVQDNRSGAUZDDA-GSPCDJLXSA-N 1 0 333.432 2.435 20 5 EEBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000449666572 467683042 /nfs/dbraw/zinc/68/30/42/467683042.db2.gz HQRXGNINBSWOGJ-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449698871 467693854 /nfs/dbraw/zinc/69/38/54/467693854.db2.gz PNNCJTLGHLGDFT-OAHLLOKOSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC([NH2+]CCO)CC3)n2)cc1 ZINC000450408335 467845026 /nfs/dbraw/zinc/84/50/26/467845026.db2.gz JYKVNIGRFOSZMP-UHFFFAOYSA-N 1 0 348.428 2.269 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000450556201 467869158 /nfs/dbraw/zinc/86/91/58/467869158.db2.gz UUZHEMUHYMEZQQ-WFASDCNBSA-N 1 0 333.388 2.157 20 5 EEBDRO C[C@@H](O)CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450739689 467899707 /nfs/dbraw/zinc/89/97/07/467899707.db2.gz RNFHOQNCDJIIHE-CYBMUJFWSA-N 1 0 347.419 2.144 20 5 EEBDRO CC[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](CC)CC ZINC000487118967 468023651 /nfs/dbraw/zinc/02/36/51/468023651.db2.gz REVYUPVXMIUSCT-CQSZACIVSA-N 1 0 337.424 2.075 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000516394203 468025808 /nfs/dbraw/zinc/02/58/08/468025808.db2.gz VRQGLZLSYBLZMV-RYUDHWBXSA-N 1 0 349.387 2.174 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000516762469 468045491 /nfs/dbraw/zinc/04/54/91/468045491.db2.gz AVJXEEKXLDLRBW-UKRRQHHQSA-N 1 0 344.367 2.100 20 5 EEBDRO C[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000488996698 468115925 /nfs/dbraw/zinc/11/59/25/468115925.db2.gz ZHZSJIBGGHYNDT-AWEZNQCLSA-N 1 0 336.436 2.037 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000532953783 468156026 /nfs/dbraw/zinc/15/60/26/468156026.db2.gz GYPSKMQCDQMVJO-CQSZACIVSA-N 1 0 332.404 2.012 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000589609047 468166451 /nfs/dbraw/zinc/16/64/51/468166451.db2.gz WZARMXMYFNIJIV-GFCCVEGCSA-N 1 0 349.435 2.318 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(F)cc2)c1 ZINC000549695825 468192972 /nfs/dbraw/zinc/19/29/72/468192972.db2.gz CBONYWQOSFNBTM-INIZCTEOSA-N 1 0 334.347 2.306 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000591767555 468518348 /nfs/dbraw/zinc/51/83/48/468518348.db2.gz ZUGPKBUXMRWDJR-JSGCOSHPSA-N 1 0 326.418 2.067 20 5 EEBDRO CC(C)Oc1nc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000594543677 468617821 /nfs/dbraw/zinc/61/78/21/468617821.db2.gz DEJVADRKLPFSCJ-UHFFFAOYSA-N 1 0 343.387 2.499 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1 ZINC000600712196 468629218 /nfs/dbraw/zinc/62/92/18/468629218.db2.gz UPICCYBIYUBGDK-QWHCGFSZSA-N 1 0 325.434 2.044 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597709391 468646959 /nfs/dbraw/zinc/64/69/59/468646959.db2.gz VDVGOGQCPXQGGH-UHFFFAOYSA-N 1 0 341.795 2.037 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597708521 468647376 /nfs/dbraw/zinc/64/73/76/468647376.db2.gz OKYSHDANYRIIIN-UHFFFAOYSA-N 1 0 343.836 2.360 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000600823587 468666155 /nfs/dbraw/zinc/66/61/55/468666155.db2.gz GYEXTXHEIRZOTR-UHFFFAOYSA-N 1 0 339.417 2.197 20 5 EEBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375628 468685385 /nfs/dbraw/zinc/68/53/85/468685385.db2.gz XDDFXNCYXSQSPK-WCQYABFASA-N 1 0 326.393 2.499 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558691700 468706965 /nfs/dbraw/zinc/70/69/65/468706965.db2.gz HKBTWDJXOZEWGV-CZUORRHYSA-N 1 0 337.420 2.171 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592485596 468708699 /nfs/dbraw/zinc/70/86/99/468708699.db2.gz IZODOZMCEGKLRZ-JQWIXIFHSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992028 468733730 /nfs/dbraw/zinc/73/37/30/468733730.db2.gz IPQLBRCQOANHSB-QWRGUYRKSA-N 1 0 343.811 2.472 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000595043652 468747535 /nfs/dbraw/zinc/74/75/35/468747535.db2.gz XUXSDHXYUNPGIW-YUELXQCFSA-N 1 0 335.404 2.117 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000559637750 468749743 /nfs/dbraw/zinc/74/97/43/468749743.db2.gz ZQWPJBICYRGOBM-DOTOQJQBSA-N 1 0 343.383 2.219 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598344087 468837570 /nfs/dbraw/zinc/83/75/70/468837570.db2.gz ZTCICGBIILJRBJ-CQSZACIVSA-N 1 0 333.388 2.158 20 5 EEBDRO COc1ccc(OCC[NH+]2CCC([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000593083683 468864582 /nfs/dbraw/zinc/86/45/82/468864582.db2.gz LEAZZCSUBHTVKU-ZDUSSCGKSA-N 1 0 338.404 2.323 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505171 468880533 /nfs/dbraw/zinc/88/05/33/468880533.db2.gz QFTRQKTWPCVLJY-RDTXWAMCSA-N 1 0 346.431 2.340 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593137851 468883983 /nfs/dbraw/zinc/88/39/83/468883983.db2.gz NCOLJMKSZYRKGY-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682093 468957819 /nfs/dbraw/zinc/95/78/19/468957819.db2.gz LLCFSEQZKMWJJS-CXAGYDPISA-N 1 0 332.404 2.045 20 5 EEBDRO COCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602652468 468989261 /nfs/dbraw/zinc/98/92/61/468989261.db2.gz LGAKKGWXVCZHFA-UHFFFAOYSA-N 1 0 334.420 2.365 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000610539205 468997018 /nfs/dbraw/zinc/99/70/18/468997018.db2.gz FCNUFTCMLOOACF-WQGACYEGSA-N 1 0 343.387 2.173 20 5 EEBDRO CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1=O ZINC000595772040 469000163 /nfs/dbraw/zinc/00/01/63/469000163.db2.gz HAXUZZBDDAETOU-UHFFFAOYSA-N 1 0 331.294 2.278 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccn(C)n1 ZINC000602687956 469010935 /nfs/dbraw/zinc/01/09/35/469010935.db2.gz SAEGRSYIJQAMMM-LBPRGKRZSA-N 1 0 330.392 2.043 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccn(C)n1 ZINC000602687955 469012035 /nfs/dbraw/zinc/01/20/35/469012035.db2.gz SAEGRSYIJQAMMM-GFCCVEGCSA-N 1 0 330.392 2.043 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595870536 469053860 /nfs/dbraw/zinc/05/38/60/469053860.db2.gz HGRVSTAIJXFOIZ-SJKOYZFVSA-N 1 0 335.404 2.182 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000573094866 469059939 /nfs/dbraw/zinc/05/99/39/469059939.db2.gz MZARVAVUSGQILH-NSHDSACASA-N 1 0 340.811 2.171 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000602765555 469060660 /nfs/dbraw/zinc/06/06/60/469060660.db2.gz VHPAZVUPYVVOTC-UHFFFAOYSA-N 1 0 349.460 2.022 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000602769636 469062209 /nfs/dbraw/zinc/06/22/09/469062209.db2.gz UDSRLJYTUMUVTA-CQSZACIVSA-N 1 0 330.392 2.078 20 5 EEBDRO CC1(C)C[C@@]1([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908583 469077167 /nfs/dbraw/zinc/07/71/67/469077167.db2.gz ISLNXXYYDCNQGD-NVXWUHKLSA-N 1 0 330.388 2.067 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000587029815 469084531 /nfs/dbraw/zinc/08/45/31/469084531.db2.gz PNWIBFJTNHTRIR-UHFFFAOYSA-N 1 0 342.384 2.321 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595936054 469091494 /nfs/dbraw/zinc/09/14/94/469091494.db2.gz MLLVBUMAYQOECB-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000593729206 469111178 /nfs/dbraw/zinc/11/11/78/469111178.db2.gz QVKLHUZDONNFNX-LBPRGKRZSA-N 1 0 335.379 2.219 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000593728965 469111255 /nfs/dbraw/zinc/11/12/55/469111255.db2.gz BOMKYRVQOOZABQ-GUYCJALGSA-N 1 0 343.387 2.206 20 5 EEBDRO COCC[NH+](CCOC)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000588076694 469113348 /nfs/dbraw/zinc/11/33/48/469113348.db2.gz DLPDAUWOWIXVNU-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596087128 469149438 /nfs/dbraw/zinc/14/94/38/469149438.db2.gz GBSLBIJYEANFPU-UHFFFAOYSA-N 1 0 334.420 2.394 20 5 EEBDRO C[NH+](C)CCOc1ccc(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596113707 469160355 /nfs/dbraw/zinc/16/03/55/469160355.db2.gz XMYJABYZQMWSEN-UHFFFAOYSA-N 1 0 346.387 2.290 20 5 EEBDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000611146396 469173840 /nfs/dbraw/zinc/17/38/40/469173840.db2.gz HXTKGORHWLUFEK-UHFFFAOYSA-N 1 0 349.412 2.299 20 5 EEBDRO NC(=O)c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596169051 469183911 /nfs/dbraw/zinc/18/39/11/469183911.db2.gz DHYQJKQAVKDWTN-MLGOLLRUSA-N 1 0 344.415 2.147 20 5 EEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602959772 469191134 /nfs/dbraw/zinc/19/11/34/469191134.db2.gz GOMWRKJQRIISAB-UHFFFAOYSA-N 1 0 349.435 2.450 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244106 469208073 /nfs/dbraw/zinc/20/80/73/469208073.db2.gz AXGLRTQEFNGFKB-GUYCJALGSA-N 1 0 346.431 2.070 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+](C[C@@H]1CCOC1)C1CC1)OCCO2 ZINC000611254255 469209848 /nfs/dbraw/zinc/20/98/48/469209848.db2.gz GLNZBBOOWZPFGY-LBPRGKRZSA-N 1 0 334.372 2.367 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000615296731 469211622 /nfs/dbraw/zinc/21/16/22/469211622.db2.gz IYYVTBIISAQPPT-VXGBXAGGSA-N 1 0 347.824 2.009 20 5 EEBDRO CCn1cnnc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611336017 469230356 /nfs/dbraw/zinc/23/03/56/469230356.db2.gz OPYIRYAKISHOBS-OAHLLOKOSA-N 1 0 329.404 2.360 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000611395372 469241156 /nfs/dbraw/zinc/24/11/56/469241156.db2.gz IJQNOAOUFIQGMP-INIZCTEOSA-N 1 0 335.404 2.340 20 5 EEBDRO [NH3+]CCSCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603220285 469313350 /nfs/dbraw/zinc/31/33/50/469313350.db2.gz XGEQRQHROAAIFA-UHFFFAOYSA-N 1 0 327.797 2.080 20 5 EEBDRO CC[C@@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000602471244 469331503 /nfs/dbraw/zinc/33/15/03/469331503.db2.gz KZGGUTXDDNVLBZ-KRWDZBQOSA-N 1 0 335.404 2.168 20 5 EEBDRO Cc1cccc(C(=O)NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602517765 469346229 /nfs/dbraw/zinc/34/62/29/469346229.db2.gz GTBHCXKTDXEVBJ-UHFFFAOYSA-N 1 0 327.384 2.465 20 5 EEBDRO C[C@@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000602554647 469358885 /nfs/dbraw/zinc/35/88/85/469358885.db2.gz NBRQZLULKGNWDF-UKRRQHHQSA-N 1 0 346.431 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)cn3)CC2)cn1 ZINC000602578161 469368460 /nfs/dbraw/zinc/36/84/60/469368460.db2.gz WGKSHXCNBSMICX-UHFFFAOYSA-N 1 0 331.351 2.283 20 5 EEBDRO Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424486 469391757 /nfs/dbraw/zinc/39/17/57/469391757.db2.gz YFBKUKUTLWWKHI-KRWDZBQOSA-N 1 0 348.447 2.112 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000604511191 469485101 /nfs/dbraw/zinc/48/51/01/469485101.db2.gz CCXUCJHOTFGLQK-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604561738 469494807 /nfs/dbraw/zinc/49/48/07/469494807.db2.gz VLEUELVKKZXFHS-AWEZNQCLSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000610010115 469974229 /nfs/dbraw/zinc/97/42/29/469974229.db2.gz WNKQCXOZNBIRQH-UHFFFAOYSA-N 1 0 326.360 2.317 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000610112124 469981755 /nfs/dbraw/zinc/98/17/55/469981755.db2.gz YANKQEXBAFCMIK-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CN(C)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000610367447 470008616 /nfs/dbraw/zinc/00/86/16/470008616.db2.gz KFSWDMWIDKWNBU-UHFFFAOYSA-N 1 0 341.415 2.378 20 5 EEBDRO O=c1ccccn1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610370993 470008735 /nfs/dbraw/zinc/00/87/35/470008735.db2.gz LEMKVOXEAKRVNO-UHFFFAOYSA-N 1 0 343.383 2.300 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602538251 485640848 /nfs/dbraw/zinc/64/08/48/485640848.db2.gz BPNKWGFNJKFARD-PWSUYJOCSA-N 1 0 331.294 2.194 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000130042368 534576353 /nfs/dbraw/zinc/57/63/53/534576353.db2.gz YKAWPIRODFMSTC-CQSZACIVSA-N 1 0 346.431 2.315 20 5 EEBDRO CC(C)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000416001308 527277121 /nfs/dbraw/zinc/27/71/21/527277121.db2.gz AEFPIHABLGOKMC-LLVKDONJSA-N 1 0 348.325 2.409 20 5 EEBDRO CC1([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183899935 528052601 /nfs/dbraw/zinc/05/26/01/528052601.db2.gz GCCUOMJYHUTZDT-CQSZACIVSA-N 1 0 336.388 2.449 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008475 528161644 /nfs/dbraw/zinc/16/16/44/528161644.db2.gz LZAIFLFFRFKRQR-UHFFFAOYSA-N 1 0 325.434 2.286 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236735683 535034878 /nfs/dbraw/zinc/03/48/78/535034878.db2.gz NGZJIROXZRMFFF-CYBMUJFWSA-N 1 0 331.376 2.028 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000423674730 535427315 /nfs/dbraw/zinc/42/73/15/535427315.db2.gz HTBQMFPHLWTJPM-BETUJISGSA-N 1 0 333.388 2.065 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459747575 536826566 /nfs/dbraw/zinc/82/65/66/536826566.db2.gz GGHNCOAATVIMLC-GJZGRUSLSA-N 1 0 333.388 2.105 20 5 EEBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804115 577231075 /nfs/dbraw/zinc/23/10/75/577231075.db2.gz QMLNSXLHDLQBFY-RNCFNFMXSA-N 1 0 341.795 2.326 20 5 EEBDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776274210 577456254 /nfs/dbraw/zinc/45/62/54/577456254.db2.gz CDMOXXPCVQTFPP-KRWDZBQOSA-N 1 0 343.383 2.120 20 5 EEBDRO COC(=O)CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590348 577463505 /nfs/dbraw/zinc/46/35/05/577463505.db2.gz CRNFXELIMRWUEZ-INIZCTEOSA-N 1 0 336.388 2.293 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000749146891 577971706 /nfs/dbraw/zinc/97/17/06/577971706.db2.gz RYIXBPQRFOJPDO-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954899 577984697 /nfs/dbraw/zinc/98/46/97/577984697.db2.gz PNTWXQVOTJBMAP-AWEZNQCLSA-N 1 0 344.419 2.023 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000891348584 676417085 /nfs/dbraw/zinc/41/70/85/676417085.db2.gz QARRHLYJUUCVJC-CQSZACIVSA-N 1 0 343.387 2.179 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC001021901704 676542004 /nfs/dbraw/zinc/54/20/04/676542004.db2.gz SJKFJGDXCXVCFH-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(Cc1cccnc1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021972776 676566297 /nfs/dbraw/zinc/56/62/97/676566297.db2.gz HPRFAIOPSFJPDD-OKILXGFUSA-N 1 0 346.412 2.031 20 5 EEBDRO [NH3+]C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097348874 676751807 /nfs/dbraw/zinc/75/18/07/676751807.db2.gz ZNGIYLGHMGKJQO-UHFFFAOYSA-N 1 0 347.156 2.127 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC001022261679 676774765 /nfs/dbraw/zinc/77/47/65/676774765.db2.gz IPYSCTBPFKPJHU-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022874572 678692614 /nfs/dbraw/zinc/69/26/14/678692614.db2.gz GXACHGCTSNYTEV-OKILXGFUSA-N 1 0 329.356 2.167 20 5 EEBDRO Cn1cccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983190245 681973629 /nfs/dbraw/zinc/97/36/29/681973629.db2.gz JPTINFDNVJAQAR-CTYIDZIISA-N 1 0 342.399 2.232 20 5 EEBDRO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[NH+]2CCC1CC2 ZINC000892781011 683036761 /nfs/dbraw/zinc/03/67/61/683036761.db2.gz JXJAGNAWIQYMEQ-INIZCTEOSA-N 1 0 337.807 2.391 20 5 EEBDRO Cc1cc(N2CC[NH+](CCc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000894842676 683181870 /nfs/dbraw/zinc/18/18/70/683181870.db2.gz ACZQHMNZZAOMQY-UHFFFAOYSA-N 1 0 327.388 2.058 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1ccoc1 ZINC001025679627 683234859 /nfs/dbraw/zinc/23/48/59/683234859.db2.gz WJCYOMSWAOGTST-FOLVSLTJSA-N 1 0 327.340 2.048 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025763218 683264348 /nfs/dbraw/zinc/26/43/48/683264348.db2.gz OAUMEKFAQJGFIY-HALDLXJZSA-N 1 0 340.383 2.092 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000893247887 684261327 /nfs/dbraw/zinc/26/13/27/684261327.db2.gz IOJDECLTPSPFHY-TZMCWYRMSA-N 1 0 338.433 2.014 20 5 EEBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246190 684381409 /nfs/dbraw/zinc/38/14/09/684381409.db2.gz MTPRKRBTIYRYLT-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264532 684386417 /nfs/dbraw/zinc/38/64/17/684386417.db2.gz FUFKGLBZGZQHDA-HZPDHXFCSA-N 1 0 332.404 2.015 20 5 EEBDRO C[C@@H](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000895297743 684462175 /nfs/dbraw/zinc/46/21/75/684462175.db2.gz NRCQNDVCVAHFCS-ZDUSSCGKSA-N 1 0 331.420 2.425 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896542065 685037876 /nfs/dbraw/zinc/03/78/76/685037876.db2.gz BEOJDQVNHDQZKU-DYVFJYSZSA-N 1 0 348.447 2.082 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985422054 686625934 /nfs/dbraw/zinc/62/59/34/686625934.db2.gz WPWFQGNSAWRNSF-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1ccc(CC[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000985425322 686651598 /nfs/dbraw/zinc/65/15/98/686651598.db2.gz FRWHOIOWQRZZIR-QZTJIDSGSA-N 1 0 345.443 2.126 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000897501540 690750146 /nfs/dbraw/zinc/75/01/46/690750146.db2.gz WGSAXVHZZAXLPZ-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO O=C(C1=COCCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990158682 692704405 /nfs/dbraw/zinc/70/44/05/692704405.db2.gz FFWBLDSYODMVDI-UHFFFAOYSA-N 1 0 345.399 2.370 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc2c1OCC2 ZINC000905616408 1189820259 /nfs/dbraw/zinc/82/02/59/1189820259.db2.gz IIPRXENVCVXDKJ-HNNXBMFYSA-N 1 0 344.367 2.059 20 5 EEBDRO Cc1c(C[NH2+]CC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873051483 1198484925 /nfs/dbraw/zinc/48/49/25/1198484925.db2.gz KAKXDDJNKWSOOK-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nc1 ZINC001134080422 1199297955 /nfs/dbraw/zinc/29/79/55/1199297955.db2.gz QJMZYSGSPFCCBF-UHFFFAOYSA-N 1 0 348.428 2.062 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000810118186 1199301967 /nfs/dbraw/zinc/30/19/67/1199301967.db2.gz NIGVLEJKBWNKNC-SNVBAGLBSA-N 1 0 335.451 2.055 20 5 EEBDRO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C[N@@H+]1C ZINC000878335546 1200403476 /nfs/dbraw/zinc/40/34/76/1200403476.db2.gz OKEZPDBTSRENJS-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000878697257 1200625179 /nfs/dbraw/zinc/62/51/79/1200625179.db2.gz COYUJVPKMHMLTM-INIZCTEOSA-N 1 0 338.408 2.153 20 5 EEBDRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000812330053 1200642621 /nfs/dbraw/zinc/64/26/21/1200642621.db2.gz APRLWZBVHDKYMS-RWMBFGLXSA-N 1 0 335.379 2.248 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879227198 1200938260 /nfs/dbraw/zinc/93/82/60/1200938260.db2.gz ASPVIRCTUDMYFA-OAHLLOKOSA-N 1 0 348.403 2.360 20 5 EEBDRO COC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866309119 1201489663 /nfs/dbraw/zinc/48/96/63/1201489663.db2.gz LTQJDGKHWBMFJZ-GFCCVEGCSA-N 1 0 326.368 2.450 20 5 EEBDRO C[C@]([NH3+])(C(=O)NC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867976602 1201718232 /nfs/dbraw/zinc/71/82/32/1201718232.db2.gz NQTSZNGYPKTMAP-GOSISDBHSA-N 1 0 325.368 2.052 20 5 EEBDRO Cc1cc(N2CCC(NC(=O)CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095441459 1205758249 /nfs/dbraw/zinc/75/82/49/1205758249.db2.gz IVNPAIABWCQLGK-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778283081 1208055050 /nfs/dbraw/zinc/05/50/50/1208055050.db2.gz CKSOPBLICOQKSM-LLVKDONJSA-N 1 0 349.416 2.204 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000935114762 1208097572 /nfs/dbraw/zinc/09/75/72/1208097572.db2.gz SUTIAFLPJRCQRV-ZJIFWQFVSA-N 1 0 349.456 2.202 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3CCC4(CC3)OCCO4)nc2c1 ZINC000795984307 1215235954 /nfs/dbraw/zinc/23/59/54/1215235954.db2.gz YZOPADYHYGEPFJ-UHFFFAOYSA-N 1 0 346.387 2.494 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000796199959 1215509286 /nfs/dbraw/zinc/50/92/86/1215509286.db2.gz UYCYDIAHQYZEKV-GFCCVEGCSA-N 1 0 325.340 2.173 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001020047413 1229457637 /nfs/dbraw/zinc/45/76/37/1229457637.db2.gz LVAVEMPXCRMHHB-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001045436274 1233744330 /nfs/dbraw/zinc/74/43/30/1233744330.db2.gz OSZQEXYSTFFQEP-HZPDHXFCSA-N 1 0 349.406 2.292 20 5 EEBDRO O=C(c1ccc[nH]1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048677139 1238267053 /nfs/dbraw/zinc/26/70/53/1238267053.db2.gz LTRLFYDLRGJHSY-GASCZTMLSA-N 1 0 340.383 2.127 20 5 EEBDRO O=C(C[NH+]1CCCC1)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001057334945 1243339373 /nfs/dbraw/zinc/33/93/73/1243339373.db2.gz KJGUSZWZAMBTKL-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097244998 1243872705 /nfs/dbraw/zinc/87/27/05/1243872705.db2.gz VFOBKMNIAUPUEF-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001101672140 1246109772 /nfs/dbraw/zinc/10/97/72/1246109772.db2.gz XXFHFXCCDDWHDY-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000893321340 1276726198 /nfs/dbraw/zinc/72/61/98/1276726198.db2.gz ZFJVOJQHYHQISE-CYBMUJFWSA-N 1 0 342.779 2.260 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000931036091 1276898144 /nfs/dbraw/zinc/89/81/44/1276898144.db2.gz BLIPOLLDPMAGBO-AAEUAGOBSA-N 1 0 331.376 2.169 20 5 EEBDRO CSCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199232304 1285552803 /nfs/dbraw/zinc/55/28/03/1285552803.db2.gz BUNIJNDGWDEDMZ-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217999601 1297545754 /nfs/dbraw/zinc/54/57/54/1297545754.db2.gz GTAMCGOIUWLEFK-GXFFZTMASA-N 1 0 326.324 2.239 20 5 EEBDRO Cc1ocnc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234998960 1305078674 /nfs/dbraw/zinc/07/86/74/1305078674.db2.gz BWZGFPYSFOAZRM-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[C@H](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000855414836 1293209507 /nfs/dbraw/zinc/20/95/07/1293209507.db2.gz BZLGCRLLNAMJDA-SECBINFHSA-N 1 0 331.775 2.386 20 5 EEBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C[NH2+]1 ZINC001218045844 1297556503 /nfs/dbraw/zinc/55/65/03/1297556503.db2.gz HDTGGXHEIFHYJO-APPZFPTMSA-N 1 0 348.140 2.329 20 5 EEBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001226166881 1301282202 /nfs/dbraw/zinc/28/22/02/1301282202.db2.gz ZIYZKDOABJFZLI-HNNXBMFYSA-N 1 0 341.367 2.347 20 5 EEBDRO CC[N@@H+]1CCC[C@H](Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226364949 1301379566 /nfs/dbraw/zinc/37/95/66/1301379566.db2.gz UZCYGAAWFIPFTR-LBPRGKRZSA-N 1 0 338.360 2.253 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226364944 1301379754 /nfs/dbraw/zinc/37/97/54/1301379754.db2.gz UZCYGAAWFIPFTR-GFCCVEGCSA-N 1 0 338.360 2.253 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1OC ZINC001226437788 1301412656 /nfs/dbraw/zinc/41/26/56/1301412656.db2.gz BMEDIMWNCCGNOT-NSHDSACASA-N 1 0 340.376 2.499 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001226629398 1301484840 /nfs/dbraw/zinc/48/48/40/1301484840.db2.gz UVGHXMTYKBTIMW-GFCCVEGCSA-N 1 0 339.460 2.176 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001226751996 1301539140 /nfs/dbraw/zinc/53/91/40/1301539140.db2.gz VDGAYKYMFVPPPM-OAHLLOKOSA-N 1 0 347.346 2.409 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449413 1301832837 /nfs/dbraw/zinc/83/28/37/1301832837.db2.gz PTZKSMSOJIEAAU-HNNXBMFYSA-N 1 0 340.379 2.393 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227454202 1301835401 /nfs/dbraw/zinc/83/54/01/1301835401.db2.gz YOPCQZJLNSDEOG-LBPRGKRZSA-N 1 0 329.376 2.005 20 5 EEBDRO C[NH+]1CCC2(CC[C@@H](COc3nc4cc([N+](=O)[O-])ccc4[nH]3)O2)CC1 ZINC001227741254 1301948954 /nfs/dbraw/zinc/94/89/54/1301948954.db2.gz KCLJKVBBVAOMNV-ZDUSSCGKSA-N 1 0 346.387 2.493 20 5 EEBDRO Cc1nc(-c2ccccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)cs1 ZINC001228460283 1302271065 /nfs/dbraw/zinc/27/10/65/1302271065.db2.gz BPHDQWRXKSWGGO-CYBMUJFWSA-N 1 0 335.449 2.481 20 5 EEBDRO CC[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc(C)c(OC)c2[N+](=O)[O-])C1 ZINC001229867576 1302970613 /nfs/dbraw/zinc/97/06/13/1302970613.db2.gz AHJLCHMCCXROLH-JTQLQIEISA-N 1 0 325.321 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000783559117 1304298973 /nfs/dbraw/zinc/29/89/73/1304298973.db2.gz JITJDWNIYUAYHH-JKSUJKDBSA-N 1 0 339.823 2.279 20 5 EEBDRO C[NH+](C)CCCC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112360497 1304491357 /nfs/dbraw/zinc/49/13/57/1304491357.db2.gz VYDXVXFGTLGVSN-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO COCCCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235338013 1305197353 /nfs/dbraw/zinc/19/73/53/1305197353.db2.gz JUHZKZKAQPCNTI-UHFFFAOYSA-N 1 0 337.420 2.350 20 5 EEBDRO CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1c([N+](=O)[O-])ncn1C)C2 ZINC001120640109 1309659859 /nfs/dbraw/zinc/65/98/59/1309659859.db2.gz WMMRWCUWXRHXEH-UHFFFAOYSA-N 1 0 349.435 2.036 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246084597 1310232912 /nfs/dbraw/zinc/23/29/12/1310232912.db2.gz KUXBLVULAFIINN-TUAOUCFPSA-N 1 0 325.384 2.404 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)C[C@@H]2CCC[NH2+]2)c1F ZINC001246888177 1310460469 /nfs/dbraw/zinc/46/04/69/1310460469.db2.gz GUBDMPCRNHPYCU-NEPJUHHUSA-N 1 0 325.384 2.357 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2(CC3CC3)CCOCC2)nc1C1C[NH2+]C1 ZINC001161655274 1320573073 /nfs/dbraw/zinc/57/30/73/1320573073.db2.gz CQPUKJIOEVIHBP-UHFFFAOYSA-N 1 0 347.419 2.080 20 5 EEBDRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000836440877 1314994928 /nfs/dbraw/zinc/99/49/28/1314994928.db2.gz RULIPTYLESKTSY-LBPRGKRZSA-N 1 0 346.391 2.236 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476502 1315713030 /nfs/dbraw/zinc/71/30/30/1315713030.db2.gz QCEXVGXPBKKWTQ-FCHSOHFDSA-N 1 0 340.811 2.163 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617697 1315733831 /nfs/dbraw/zinc/73/38/31/1315733831.db2.gz RAFPTCJWNZXYQW-CJNGLKHVSA-N 1 0 345.403 2.496 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000842892613 1315793014 /nfs/dbraw/zinc/79/30/14/1315793014.db2.gz LRRCVTKELQJMKT-UHFFFAOYSA-N 1 0 347.824 2.059 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843095206 1315840888 /nfs/dbraw/zinc/84/08/88/1315840888.db2.gz NUBMYGMLIIIUAF-SJLPKXTDSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000843347607 1315895953 /nfs/dbraw/zinc/89/59/53/1315895953.db2.gz XIFVAJFTPBVTIX-QPUJVOFHSA-N 1 0 329.759 2.126 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1c[nH]c2ncccc12 ZINC001151406278 1316523590 /nfs/dbraw/zinc/52/35/90/1316523590.db2.gz XIMNBVSNJLGEQO-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO Cn1cc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c2ccccc21 ZINC001155288555 1317539504 /nfs/dbraw/zinc/53/95/04/1317539504.db2.gz XAFQWRANRBPVOX-UHFFFAOYSA-N 1 0 338.371 2.175 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c21 ZINC001155602057 1317669907 /nfs/dbraw/zinc/66/99/07/1317669907.db2.gz MGSUVHQIGPKGML-YVEFUNNKSA-N 1 0 343.387 2.109 20 5 EEBDRO COc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ncc1[N+](=O)[O-] ZINC001155989797 1317819411 /nfs/dbraw/zinc/81/94/11/1317819411.db2.gz OTSFILFXIXCLBW-UHFFFAOYSA-N 1 0 333.735 2.449 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001156398296 1317995170 /nfs/dbraw/zinc/99/51/70/1317995170.db2.gz AIUZZBLPCOZMBB-UHFFFAOYSA-N 1 0 328.372 2.081 20 5 EEBDRO CCN(CC)C(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465582 1318081896 /nfs/dbraw/zinc/08/18/96/1318081896.db2.gz FGSDQWYMERZQIF-AWEZNQCLSA-N 1 0 348.447 2.410 20 5 EEBDRO CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254481291 1318084901 /nfs/dbraw/zinc/08/49/01/1318084901.db2.gz ANQPXOYCCRZYPL-SFHVURJKSA-N 1 0 346.431 2.116 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc([N+](=O)[O-])cc(Cl)n2)COC1 ZINC001156628565 1318118854 /nfs/dbraw/zinc/11/88/54/1318118854.db2.gz YPYIVDNRLSBDQG-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001254563279 1318122098 /nfs/dbraw/zinc/12/20/98/1318122098.db2.gz VZVJWGLWQBUWAE-OCCSQVGLSA-N 1 0 327.388 2.499 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001254571243 1318126198 /nfs/dbraw/zinc/12/61/98/1318126198.db2.gz RDSXXRWBPPPPRS-NVXWUHKLSA-N 1 0 333.432 2.322 20 5 EEBDRO CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589023 1318136359 /nfs/dbraw/zinc/13/63/59/1318136359.db2.gz KXQIWMGDJNFZQA-SJLPKXTDSA-N 1 0 347.459 2.399 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590384 1318136489 /nfs/dbraw/zinc/13/64/89/1318136489.db2.gz WOPKEJFWCXAXKN-NVXWUHKLSA-N 1 0 327.384 2.209 20 5 EEBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592467 1318137472 /nfs/dbraw/zinc/13/74/72/1318137472.db2.gz DOAMFGJCRXGHAR-SFHVURJKSA-N 1 0 343.427 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](OCC3CC3)[C@H]3COC[C@H]31)C2 ZINC001254599974 1318141199 /nfs/dbraw/zinc/14/11/99/1318141199.db2.gz NLMHTYFATGRZDR-FCGDIQPGSA-N 1 0 344.411 2.188 20 5 EEBDRO Cc1cc(-n2ccc(C[NH3+])cc2=N)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156853693 1318246475 /nfs/dbraw/zinc/24/64/75/1318246475.db2.gz UNUDKTFCAWFMFX-UHFFFAOYSA-N 1 0 336.355 2.089 20 5 EEBDRO O=C(/C=C\c1ccc[nH]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157080093 1318387432 /nfs/dbraw/zinc/38/74/32/1318387432.db2.gz BZPCGZRIQPSFFJ-HJWRWDBZSA-N 1 0 328.372 2.232 20 5 EEBDRO COc1cc2ncnc(N3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c2cc1[N+](=O)[O-] ZINC001157265622 1318532226 /nfs/dbraw/zinc/53/22/26/1318532226.db2.gz KGDIHVQODPILPL-NHYWBVRUSA-N 1 0 343.387 2.077 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)n1 ZINC001157432196 1318637401 /nfs/dbraw/zinc/63/74/01/1318637401.db2.gz AVMZEIXPKUWPAZ-OAHLLOKOSA-N 1 0 327.388 2.452 20 5 EEBDRO O=[N+]([O-])c1cnc(N(c2cnccn2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001157537938 1318703146 /nfs/dbraw/zinc/70/31/46/1318703146.db2.gz RYBCHDCCDLWZTC-UHFFFAOYSA-N 1 0 334.767 2.323 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001157750456 1318834262 /nfs/dbraw/zinc/83/42/62/1318834262.db2.gz KMSFFQHTEDPJAU-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO CC(C)(C)CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001157884475 1318915542 /nfs/dbraw/zinc/91/55/42/1318915542.db2.gz YPUGYZTXDBZVKA-UHFFFAOYSA-N 1 0 342.827 2.486 20 5 EEBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC001258018846 1319131686 /nfs/dbraw/zinc/13/16/86/1319131686.db2.gz GZQIQAFZJCIUSD-RYUDHWBXSA-N 1 0 332.360 2.297 20 5 EEBDRO COc1cc(N(c2cccc([N+](=O)[O-])n2)C2CC[NH2+]CC2)ccn1 ZINC001158325263 1319177219 /nfs/dbraw/zinc/17/72/19/1319177219.db2.gz OKYXEBOOVXRBBM-UHFFFAOYSA-N 1 0 329.360 2.284 20 5 EEBDRO Cc1nc(N2CCC3(CC2)[NH2+]CCc2ccccc23)ncc1[N+](=O)[O-] ZINC001159018422 1319560146 /nfs/dbraw/zinc/56/01/46/1319560146.db2.gz RAMHDDVNLJNPOM-UHFFFAOYSA-N 1 0 339.399 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(C[NH2+]C3)CC2)nc1Cl ZINC001159042629 1319576412 /nfs/dbraw/zinc/57/64/12/1319576412.db2.gz YZKWWNIBBQSLJR-UHFFFAOYSA-N 1 0 332.738 2.378 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ccccc2N2CC[NH2+]CC2)c(F)c1 ZINC001160109991 1320072418 /nfs/dbraw/zinc/07/24/18/1320072418.db2.gz SJWXGAWENDTSOJ-UHFFFAOYSA-N 1 0 331.351 2.151 20 5 EEBDRO CCOc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160201369 1320097595 /nfs/dbraw/zinc/09/75/95/1320097595.db2.gz TVWQOGSNAXVRIP-NSHDSACASA-N 1 0 330.344 2.246 20 5 EEBDRO Nc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001162197054 1320780771 /nfs/dbraw/zinc/78/07/71/1320780771.db2.gz ITAQUFLZPUGLNC-HDJSIYSDSA-N 1 0 342.403 2.244 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1Cl ZINC001162801867 1320962129 /nfs/dbraw/zinc/96/21/29/1320962129.db2.gz IAANRJFYNQMEPK-YUMQZZPRSA-N 1 0 338.717 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)c(C(F)(F)F)c1 ZINC001163152567 1321052011 /nfs/dbraw/zinc/05/20/11/1321052011.db2.gz BUBFFQDQQOUVBV-ZANVPECISA-N 1 0 331.294 2.262 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163237978 1321074560 /nfs/dbraw/zinc/07/45/60/1321074560.db2.gz KLBUYVXTVIPMQN-NSHDSACASA-N 1 0 334.357 2.094 20 5 EEBDRO CN(C)c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163282876 1321087461 /nfs/dbraw/zinc/08/74/61/1321087461.db2.gz BHICSEUNQZMOEV-GUYCJALGSA-N 1 0 334.420 2.231 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163651110 1321181869 /nfs/dbraw/zinc/18/18/69/1321181869.db2.gz YLYXEOBUGYEQRQ-DOTOQJQBSA-N 1 0 349.387 2.095 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1cnc2c1C[NH2+]CC2 ZINC001164313293 1321348141 /nfs/dbraw/zinc/34/81/41/1321348141.db2.gz DZFYYCQODAUOQJ-UHFFFAOYSA-N 1 0 330.735 2.023 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001165133652 1321462535 /nfs/dbraw/zinc/46/25/35/1321462535.db2.gz FEWYNZIEEWCCHP-UHFFFAOYSA-N 1 0 345.403 2.162 20 5 EEBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001165184044 1321468320 /nfs/dbraw/zinc/46/83/20/1321468320.db2.gz XEUQEDUSGNWGIC-UGSOOPFHSA-N 1 0 339.399 2.440 20 5 EEBDRO CN(C)/C=C/c1cc(N2CCC3(CC([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001165242908 1321481870 /nfs/dbraw/zinc/48/18/70/1321481870.db2.gz DJXAKXJJZFRLQI-ZZXKWVIFSA-N 1 0 331.420 2.230 20 5 EEBDRO Cc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165306894 1321497585 /nfs/dbraw/zinc/49/75/85/1321497585.db2.gz JTEUSNURPKLMQT-NSHDSACASA-N 1 0 345.325 2.347 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N(c1ncnc2c1CC[NH2+]CC2)C(C)C ZINC001165512415 1321537489 /nfs/dbraw/zinc/53/74/89/1321537489.db2.gz JJTYEBWGZRYCEE-UHFFFAOYSA-N 1 0 342.403 2.323 20 5 EEBDRO Cc1ccc(-c2ccc(N(C)C[C@@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC001166958064 1321825432 /nfs/dbraw/zinc/82/54/32/1321825432.db2.gz RORCZWGFZHALJH-CYBMUJFWSA-N 1 0 327.388 2.406 20 5 EEBDRO O=[N+]([O-])c1cccc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)c1 ZINC001204469473 1322150960 /nfs/dbraw/zinc/15/09/60/1322150960.db2.gz QPPZKLFNONMDNC-UHFFFAOYSA-N 1 0 342.399 2.453 20 5 EEBDRO Cc1nc(N(C)CCC[N@H+](C)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC001262029890 1322224348 /nfs/dbraw/zinc/22/43/48/1322224348.db2.gz NYRJMRLZVMGFGE-UHFFFAOYSA-N 1 0 330.392 2.047 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2cncc(Cl)c2)c1 ZINC001262574116 1322326584 /nfs/dbraw/zinc/32/65/84/1322326584.db2.gz LITLOXXTZCIITG-HNNXBMFYSA-N 1 0 337.763 2.345 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001263187408 1322442054 /nfs/dbraw/zinc/44/20/54/1322442054.db2.gz KUFJXADASFAMMI-UKRRQHHQSA-N 1 0 346.431 2.169 20 5 EEBDRO CCC[N@@H+]1CC[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001307176141 1329075415 /nfs/dbraw/zinc/07/54/15/1329075415.db2.gz WVWUNYGAGRJNKF-NSHDSACASA-N 1 0 345.359 2.369 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001307230381 1331520205 /nfs/dbraw/zinc/52/02/05/1331520205.db2.gz QDGIWJYWGRGNKW-AWEZNQCLSA-N 1 0 333.388 2.064 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[C@H]1O ZINC001307594514 1331540749 /nfs/dbraw/zinc/54/07/49/1331540749.db2.gz GBOFYBAAFMSMMC-SMDDNHRTSA-N 1 0 332.360 2.238 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[C@H]1O ZINC001307594511 1331541315 /nfs/dbraw/zinc/54/13/15/1331541315.db2.gz GBOFYBAAFMSMMC-BXUZGUMPSA-N 1 0 332.360 2.238 20 5 EEBDRO CC(C)CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307871955 1331552403 /nfs/dbraw/zinc/55/24/03/1331552403.db2.gz KFMKCZOMZKMCGA-UHFFFAOYSA-N 1 0 343.449 2.241 20 5 EEBDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC12COC2 ZINC001308927043 1331609306 /nfs/dbraw/zinc/60/93/06/1331609306.db2.gz GGKJLXFVBZTPGP-OAHLLOKOSA-N 1 0 348.399 2.223 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001309171252 1331619906 /nfs/dbraw/zinc/61/99/06/1331619906.db2.gz AMYKQLBHBKLTRQ-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001321386120 1333091399 /nfs/dbraw/zinc/09/13/99/1333091399.db2.gz JEFFMLUXRDCBAN-GXTWGEPZSA-N 1 0 349.387 2.163 20 5 EEBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001325129331 1333835052 /nfs/dbraw/zinc/83/50/52/1333835052.db2.gz ZHEVYOFIBVFSQX-LJQANCHMSA-N 1 0 337.379 2.368 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC001326311242 1334065520 /nfs/dbraw/zinc/06/55/20/1334065520.db2.gz SFTPCVFSQRYXGX-CQSZACIVSA-N 1 0 335.360 2.228 20 5 EEBDRO CCCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001609210369 1351894045 /nfs/dbraw/zinc/89/40/45/1351894045.db2.gz OHFKOKJROQWYSB-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO CCC[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001609214929 1351896417 /nfs/dbraw/zinc/89/64/17/1351896417.db2.gz JHNGFJALAWMENY-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001327086771 1334218966 /nfs/dbraw/zinc/21/89/66/1334218966.db2.gz GYJMSYZNLKPDQY-QGZVFWFLSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001332716652 1335889526 /nfs/dbraw/zinc/88/95/26/1335889526.db2.gz HXGUAOZUHGBPLA-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001333340241 1336013210 /nfs/dbraw/zinc/01/32/10/1336013210.db2.gz HVAIYVZTLVTRSP-UHFFFAOYSA-N 1 0 330.182 2.101 20 5 EEBDRO CC(C)C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C ZINC001335350007 1336366094 /nfs/dbraw/zinc/36/60/94/1336366094.db2.gz AKOSWICKWWFBBZ-CQSZACIVSA-N 1 0 336.436 2.489 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001335950499 1336453880 /nfs/dbraw/zinc/45/38/80/1336453880.db2.gz QUPBECKURZQPCH-RTBURBONSA-N 1 0 342.395 2.268 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337536479 1336712043 /nfs/dbraw/zinc/71/20/43/1336712043.db2.gz UOVBDNJMVOKTKK-HNNXBMFYSA-N 1 0 333.388 2.158 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC001339947993 1337101452 /nfs/dbraw/zinc/10/14/52/1337101452.db2.gz UESFZEKJBHJSFE-UHFFFAOYSA-N 1 0 334.420 2.432 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC001340163623 1337131238 /nfs/dbraw/zinc/13/12/38/1337131238.db2.gz KAWPOWSDWJWXEA-LLVKDONJSA-N 1 0 335.738 2.280 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000848495616 1338710212 /nfs/dbraw/zinc/71/02/12/1338710212.db2.gz LLLHTRMAXOVCEC-UHFFFAOYSA-N 1 0 346.435 2.412 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001575799762 1343888673 /nfs/dbraw/zinc/88/86/73/1343888673.db2.gz YUKFJAIDNBJYKW-UONOGXRCSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001576794479 1344061828 /nfs/dbraw/zinc/06/18/28/1344061828.db2.gz DDKXSYCIDWXAKF-BETUJISGSA-N 1 0 340.383 2.479 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC001578170645 1344244646 /nfs/dbraw/zinc/24/46/46/1344244646.db2.gz QWJGOGBHCUSZJP-WBVHZDCISA-N 1 0 349.387 2.017 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(F)(F)F ZINC001580394369 1344517056 /nfs/dbraw/zinc/51/70/56/1344517056.db2.gz UFRFGUPPACEHSP-PSASIEDQSA-N 1 0 337.685 2.210 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590256991 1349231810 /nfs/dbraw/zinc/23/18/10/1349231810.db2.gz OTAKNHYWQLBIJS-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590337744 1349273746 /nfs/dbraw/zinc/27/37/46/1349273746.db2.gz RSCUEHOQFBXPLR-ZJUUUORDSA-N 1 0 334.405 2.101 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)c1 ZINC001593478583 1349811408 /nfs/dbraw/zinc/81/14/08/1349811408.db2.gz WENHOTBNSBJJCC-HUUCEWRRSA-N 1 0 343.391 2.204 20 5 EEBDRO CC1CC[NH+](CCCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001603904702 1350798879 /nfs/dbraw/zinc/79/88/79/1350798879.db2.gz ATLNTHHWZBYIQM-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850433625 1367142816 /nfs/dbraw/zinc/14/28/16/1367142816.db2.gz OXNMDFVLIIVVIM-CFVMTHIKSA-N 1 0 335.404 2.117 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000782529782 1371308259 /nfs/dbraw/zinc/30/82/59/1371308259.db2.gz CJHIHWWVGIQSGY-CQSZACIVSA-N 1 0 327.356 2.323 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001117258193 1371746981 /nfs/dbraw/zinc/74/69/81/1371746981.db2.gz LBAYWEVIHJFZJM-UHFFFAOYSA-N 1 0 326.400 2.231 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001121699400 1371916337 /nfs/dbraw/zinc/91/63/37/1371916337.db2.gz JWAMDXQAPMDJNW-RYUDHWBXSA-N 1 0 348.407 2.385 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC001123018086 1372086536 /nfs/dbraw/zinc/08/65/36/1372086536.db2.gz AWJXNTMFOVWNFE-UHFFFAOYSA-N 1 0 336.388 2.479 20 5 EEBDRO Cc1c(C(=O)NCC23CCC[NH+]2CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834755372 1372564517 /nfs/dbraw/zinc/56/45/17/1372564517.db2.gz QVAHJYOIWGGOPG-UHFFFAOYSA-N 1 0 348.359 2.170 20 5 EEBDRO O=C(CCC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001752843303 1406477239 /nfs/dbraw/zinc/47/72/39/1406477239.db2.gz CXRHHMCMUOOIHG-HWWDLCQESA-N 1 0 329.400 2.331 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001576791408 1403605207 /nfs/dbraw/zinc/60/52/07/1403605207.db2.gz QYOHDGKIDLADBC-DTORHVGOSA-N 1 0 331.294 2.436 20 5 EEBDRO CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577313143 1403637918 /nfs/dbraw/zinc/63/79/18/1403637918.db2.gz VTQFXHVRSYFMEI-NQHOJNORSA-N 1 0 342.403 2.357 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001580286348 1403858293 /nfs/dbraw/zinc/85/82/93/1403858293.db2.gz DPLJXUIYFFWDPW-LBPRGKRZSA-N 1 0 349.387 2.100 20 5 EEBDRO CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001100165953 1410606841 /nfs/dbraw/zinc/60/68/41/1410606841.db2.gz IOVBKEJCPOKQOB-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001167313717 757908874 /nfs/dbraw/zinc/90/88/74/757908874.db2.gz LCKZHLHPARFCHZ-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO Cc1ccc(N(C)CCCN(C)C(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001112090187 769486929 /nfs/dbraw/zinc/48/69/29/769486929.db2.gz WKLZTLFYNYVCQI-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920444891 770707603 /nfs/dbraw/zinc/70/76/03/770707603.db2.gz BOOMHWJUJGHFLP-JTQLQIEISA-N 1 0 336.348 2.026 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@H+](C)CCCO)CC1 ZINC000175125633 773467430 /nfs/dbraw/zinc/46/74/30/773467430.db2.gz LUQCYAPNOGADIC-UHFFFAOYSA-N 1 0 337.420 2.024 20 5 EEBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000138924310 790395363 /nfs/dbraw/zinc/39/53/63/790395363.db2.gz MRXWAODVSYDDNU-UKRRQHHQSA-N 1 0 335.429 2.148 20 5 EEBDRO CC(C)(O)CC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997728771 790910596 /nfs/dbraw/zinc/91/05/96/790910596.db2.gz XBNRENCQIIANHD-UHFFFAOYSA-N 1 0 349.431 2.084 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000817995010 785113085 /nfs/dbraw/zinc/11/30/85/785113085.db2.gz SBRQSFFSDBEFRG-WPRPVWTQSA-N 1 0 329.759 2.173 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000818974487 785368780 /nfs/dbraw/zinc/36/87/80/785368780.db2.gz AYNTTZWBYFUPJV-SFHVURJKSA-N 1 0 327.384 2.234 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083314 785394843 /nfs/dbraw/zinc/39/48/43/785394843.db2.gz ZFRIRDLUGQBBKS-RDJZCZTQSA-N 1 0 328.372 2.394 20 5 EEBDRO CC[N@@H+](c1ccc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000819398842 785529747 /nfs/dbraw/zinc/52/97/47/785529747.db2.gz QQSSOMMVXBBMNX-QGZVFWFLSA-N 1 0 347.419 2.499 20 5 EEBDRO O=C(CCc1ncc[nH]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107173460 786218444 /nfs/dbraw/zinc/21/84/44/786218444.db2.gz LFJOAAHBMNPQJA-UPHRSURJSA-N 1 0 329.360 2.035 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000821354766 786712400 /nfs/dbraw/zinc/71/24/00/786712400.db2.gz NGWCLAGXQFWRKV-KGLIPLIRSA-N 1 0 337.445 2.329 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107321627 786858507 /nfs/dbraw/zinc/85/85/07/786858507.db2.gz HQJXWSSECFSBOF-WAYWQWQTSA-N 1 0 334.420 2.329 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1ncc(C)cc1[N+](=O)[O-] ZINC001107392109 787107251 /nfs/dbraw/zinc/10/72/51/787107251.db2.gz UOEOQXDESQWFEM-FPLPWBNLSA-N 1 0 349.435 2.113 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)c1 ZINC000823088298 787560821 /nfs/dbraw/zinc/56/08/21/787560821.db2.gz JOCGSYPLHMIUNS-LRDDRELGSA-N 1 0 330.344 2.044 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000823088299 787561255 /nfs/dbraw/zinc/56/12/55/787561255.db2.gz JOCGSYPLHMIUNS-MLGOLLRUSA-N 1 0 330.344 2.044 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001109653236 805831183 /nfs/dbraw/zinc/83/11/83/805831183.db2.gz PKGKTCBPHDPBFR-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912805923 788365670 /nfs/dbraw/zinc/36/56/70/788365670.db2.gz BVXNQQMMEMGYIE-WBMJQRKESA-N 1 0 334.420 2.369 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000078422682 789731920 /nfs/dbraw/zinc/73/19/20/789731920.db2.gz XRTQMCYIFVLPGP-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083975756 790219640 /nfs/dbraw/zinc/21/96/40/790219640.db2.gz YYXKWJAHFAZQHJ-UHFFFAOYSA-N 1 0 349.840 2.177 20 5 EEBDRO COc1cc(C)ccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148456127 792437012 /nfs/dbraw/zinc/43/70/12/792437012.db2.gz MNWMAOANFAZCNO-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO Cc1c(C(=O)NCCNc2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001093969258 795822358 /nfs/dbraw/zinc/82/23/58/795822358.db2.gz KISLIRSRXDHBFM-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C[N@H+](C)C(C)C ZINC001106779083 796522121 /nfs/dbraw/zinc/52/21/21/796522121.db2.gz UQAVTUJRSBAQBW-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccn2c[nH+]cc2c1 ZINC001094888809 796926114 /nfs/dbraw/zinc/92/61/14/796926114.db2.gz ZEIOHIBDQFMCQY-UHFFFAOYSA-N 1 0 339.355 2.475 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nn1 ZINC001172911297 797170146 /nfs/dbraw/zinc/17/01/46/797170146.db2.gz IGGHVHGIXHKVPM-CQSZACIVSA-N 1 0 328.372 2.431 20 5 EEBDRO [NH3+]Cc1ccnn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005745 797193898 /nfs/dbraw/zinc/19/38/98/797193898.db2.gz JHLKVZPBJDFEKJ-UHFFFAOYSA-N 1 0 337.330 2.370 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCCCO)CC2)c(F)c1 ZINC001173007621 797194830 /nfs/dbraw/zinc/19/48/30/797194830.db2.gz VCKNGTCAEAUEEC-UHFFFAOYSA-N 1 0 329.347 2.204 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ncccn2)c1F ZINC001173178119 797276997 /nfs/dbraw/zinc/27/69/97/797276997.db2.gz AEMSTGGEONLGRE-LLVKDONJSA-N 1 0 334.351 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2F)c1F ZINC001173185605 797280511 /nfs/dbraw/zinc/28/05/11/797280511.db2.gz AZWQQSIRDGJJBL-MVWJERBFSA-N 1 0 330.331 2.390 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001173219665 797300717 /nfs/dbraw/zinc/30/07/17/797300717.db2.gz OZEITFDGQICDHU-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO CCNC(=O)COC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173237491 797322779 /nfs/dbraw/zinc/32/27/79/797322779.db2.gz KODQXLMKEVUEQZ-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095197814 797483114 /nfs/dbraw/zinc/48/31/14/797483114.db2.gz JGVCIXZSPIZCLS-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001095235709 797569014 /nfs/dbraw/zinc/56/90/14/797569014.db2.gz IFUPTRDTQSEOKR-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001110187581 798131405 /nfs/dbraw/zinc/13/14/05/798131405.db2.gz OOWQFVOZQQYYJP-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782580 798604124 /nfs/dbraw/zinc/60/41/24/798604124.db2.gz LTVVBWFUFXQUHF-NVXWUHKLSA-N 1 0 331.416 2.049 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823678579 798757310 /nfs/dbraw/zinc/75/73/10/798757310.db2.gz QQODKWZKBYOUIO-XYPHTWIQSA-N 1 0 349.431 2.207 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001168713982 799924910 /nfs/dbraw/zinc/92/49/10/799924910.db2.gz PIFUOJOISORKMT-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000922857912 802082457 /nfs/dbraw/zinc/08/24/57/802082457.db2.gz PJWLMCVPZNNGAK-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001086292418 802685681 /nfs/dbraw/zinc/68/56/81/802685681.db2.gz GCVZNLVYJABYKA-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001086306479 802704732 /nfs/dbraw/zinc/70/47/32/802704732.db2.gz IBSLDCFRZVFEHT-HDJSIYSDSA-N 1 0 328.372 2.221 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001086306463 802704751 /nfs/dbraw/zinc/70/47/51/802704751.db2.gz HQGAFDFXWSTIKB-MQMHXKEQSA-N 1 0 328.372 2.221 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)C1 ZINC001168955730 803548897 /nfs/dbraw/zinc/54/88/97/803548897.db2.gz BOXORZPHVJHLHQ-YPMHNXCESA-N 1 0 339.827 2.134 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962334 803551056 /nfs/dbraw/zinc/55/10/56/803551056.db2.gz LLWIAIJHSPIOMA-RMEBNNNOSA-N 1 0 339.436 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962979 803551756 /nfs/dbraw/zinc/55/17/56/803551756.db2.gz NMRLHFCRWBCGLX-RFGFWPKPSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965147 803552663 /nfs/dbraw/zinc/55/26/63/803552663.db2.gz YJKZPQMLQAHEQF-XEZPLFJOSA-N 1 0 327.425 2.421 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)C1 ZINC001168967904 803553156 /nfs/dbraw/zinc/55/31/56/803553156.db2.gz UMKJLCWSPGIYRB-QZTJIDSGSA-N 1 0 333.432 2.054 20 5 EEBDRO Cc1cccnc1C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998148 803564018 /nfs/dbraw/zinc/56/40/18/803564018.db2.gz ITWCRDOWLKCSLL-HOTGVXAUSA-N 1 0 333.432 2.473 20 5 EEBDRO Cc1cccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168999997 803565109 /nfs/dbraw/zinc/56/51/09/803565109.db2.gz WRLVGTQIGHXQSJ-HZPDHXFCSA-N 1 0 333.432 2.473 20 5 EEBDRO CC(C)CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001169005935 803568085 /nfs/dbraw/zinc/56/80/85/803568085.db2.gz WDMDSBSRFIZZCU-KGLIPLIRSA-N 1 0 332.466 2.015 20 5 EEBDRO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008247 803569307 /nfs/dbraw/zinc/56/93/07/803569307.db2.gz SKUUDBRLXHBCQC-AKHDSKFASA-N 1 0 347.459 2.311 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001168990951 803574202 /nfs/dbraw/zinc/57/42/02/803574202.db2.gz FVSYIZINVYJVTC-KGLIPLIRSA-N 1 0 326.368 2.386 20 5 EEBDRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991318 803574448 /nfs/dbraw/zinc/57/44/48/803574448.db2.gz GHYIZQMJAXXNAB-DZGCQCFKSA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCn3cnc(COCC4CC4)c3C2)C1 ZINC001169024198 803590086 /nfs/dbraw/zinc/59/00/86/803590086.db2.gz QLHHBPKLUALOJL-HOTGVXAUSA-N 1 0 348.447 2.461 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC001169025911 803591256 /nfs/dbraw/zinc/59/12/56/803591256.db2.gz JVHKDBWEUXCHQJ-IRXDYDNUSA-N 1 0 333.432 2.128 20 5 EEBDRO COC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026437 803592351 /nfs/dbraw/zinc/59/23/51/803592351.db2.gz XCLGRYCBEPQFJR-ARFHVFGLSA-N 1 0 326.437 2.197 20 5 EEBDRO COc1cccc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169051283 803595940 /nfs/dbraw/zinc/59/59/40/803595940.db2.gz CRBXLSRJRMKJLD-UONOGXRCSA-N 1 0 335.404 2.379 20 5 EEBDRO O=[N+]([O-])c1c(N[C@H](C2CCC2)C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001169284597 803679848 /nfs/dbraw/zinc/67/98/48/803679848.db2.gz AYGGOEPHZLOOCB-LLVKDONJSA-N 1 0 331.298 2.215 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001169696210 803962276 /nfs/dbraw/zinc/96/22/76/803962276.db2.gz KRMFYZDUGUEGNC-ZDUSSCGKSA-N 1 0 341.371 2.329 20 5 EEBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCO1 ZINC000788619112 807609309 /nfs/dbraw/zinc/60/93/09/807609309.db2.gz LIBWDPYTQAEDKD-ZWKOTPCHSA-N 1 0 349.431 2.347 20 5 EEBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788982908 807787593 /nfs/dbraw/zinc/78/75/93/807787593.db2.gz JTKNDJVFDJCYKM-CYBMUJFWSA-N 1 0 334.420 2.020 20 5 EEBDRO C[NH+](C)CCCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000792219773 809673463 /nfs/dbraw/zinc/67/34/63/809673463.db2.gz KQDCGYATXSMEDD-UHFFFAOYSA-N 1 0 333.344 2.017 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCCCCNC(C)=O)c([N+](=O)[O-])c1 ZINC001170317310 809888254 /nfs/dbraw/zinc/88/82/54/809888254.db2.gz FGTOTTHKLXHVQJ-CYBMUJFWSA-N 1 0 337.420 2.430 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170327348 809892149 /nfs/dbraw/zinc/89/21/49/809892149.db2.gz QCEZPDULZHWQQS-PXAZEXFGSA-N 1 0 331.372 2.253 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355729 809902672 /nfs/dbraw/zinc/90/26/72/809902672.db2.gz QNPVAHZVPPPQJF-SJKOYZFVSA-N 1 0 336.388 2.419 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC001129491998 810873286 /nfs/dbraw/zinc/87/32/86/810873286.db2.gz SURKKEBQSJXUFQ-UHFFFAOYSA-N 1 0 341.339 2.454 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC001129917857 811024715 /nfs/dbraw/zinc/02/47/15/811024715.db2.gz JHEGWSUKTSFZOU-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001130637357 811875778 /nfs/dbraw/zinc/87/57/78/811875778.db2.gz XMSIDTMPFRRRMH-UHFFFAOYSA-N 1 0 342.399 2.173 20 5 EEBDRO COCc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001130947290 812226946 /nfs/dbraw/zinc/22/69/46/812226946.db2.gz NDJGBOCLSQOLLH-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000055934346 214350064 /nfs/dbraw/zinc/35/00/64/214350064.db2.gz SDJHRLVLZZKVRF-UHFFFAOYSA-N 1 0 348.447 2.248 20 5 EEBDRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178570028 232263597 /nfs/dbraw/zinc/26/35/97/232263597.db2.gz QPDLVXDQBXPIME-QGZVFWFLSA-N 1 0 343.383 2.006 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655661 232344886 /nfs/dbraw/zinc/34/48/86/232344886.db2.gz CWXZKKWMRUQLQU-BXKDBHETSA-N 1 0 331.294 2.409 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659664 232347943 /nfs/dbraw/zinc/34/79/43/232347943.db2.gz BMQIYVAJOJTZFY-WFASDCNBSA-N 1 0 343.387 2.175 20 5 EEBDRO CN(C(=O)CN1CCC[C@@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000066536887 215052215 /nfs/dbraw/zinc/05/22/15/215052215.db2.gz XMPQKXLIKSBIFS-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000069078722 215358517 /nfs/dbraw/zinc/35/85/17/215358517.db2.gz QXYZBOJZRZBXEU-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO C[C@H]1CCC[C@@](CNC(=O)c2c(N)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000180691252 233957034 /nfs/dbraw/zinc/95/70/34/233957034.db2.gz DRRCPFZFXVLGCQ-YVEFUNNKSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000164005991 290594732 /nfs/dbraw/zinc/59/47/32/290594732.db2.gz SWXXKCCRISPFTI-IUCAKERBSA-N 1 0 329.198 2.173 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186993123 236089559 /nfs/dbraw/zinc/08/95/59/236089559.db2.gz UYDJDKWMHARXBU-UHFFFAOYSA-N 1 0 336.348 2.059 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131484502 223238632 /nfs/dbraw/zinc/23/86/32/223238632.db2.gz ZNIZWYHEQOYNON-KRWDZBQOSA-N 1 0 333.388 2.257 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000193564442 240214328 /nfs/dbraw/zinc/21/43/28/240214328.db2.gz KRDFJAYTUIKTPJ-CZUORRHYSA-N 1 0 346.431 2.455 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000428522073 241602187 /nfs/dbraw/zinc/60/21/87/241602187.db2.gz ADUVSIHJSUIZQU-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450109059 242724507 /nfs/dbraw/zinc/72/45/07/242724507.db2.gz ZUFBIWNBOOVVOO-LRDDRELGSA-N 1 0 345.399 2.157 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451637248 243186230 /nfs/dbraw/zinc/18/62/30/243186230.db2.gz XIWZQEHMQHKDHU-OSAQELSMSA-N 1 0 343.387 2.342 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246826238 243322986 /nfs/dbraw/zinc/32/29/86/243322986.db2.gz ALYZYHKPVVCNDK-CABCVRRESA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2cccs2)C2(CO)CCC2)n1 ZINC000452062281 243339103 /nfs/dbraw/zinc/33/91/03/243339103.db2.gz RPRDZHPUXAWSCM-AWEZNQCLSA-N 1 0 336.417 2.346 20 5 EEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456035020 244136333 /nfs/dbraw/zinc/13/63/33/244136333.db2.gz AKSUWUAMYBIUNM-UHFFFAOYSA-N 1 0 337.424 2.226 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456139522 244160862 /nfs/dbraw/zinc/16/08/62/244160862.db2.gz LFJBNQNAZCXSQB-UNEWFSDZSA-N 1 0 331.416 2.499 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262161924 244834341 /nfs/dbraw/zinc/83/43/41/244834341.db2.gz JGEYFRBXGJNDJC-KRWDZBQOSA-N 1 0 345.403 2.274 20 5 EEBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262504680 245007961 /nfs/dbraw/zinc/00/79/61/245007961.db2.gz ZMCADFRXXVRCDQ-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO CCOC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713925 245222207 /nfs/dbraw/zinc/22/22/07/245222207.db2.gz OFFRFKCSEZTFBG-LSDHHAIUSA-N 1 0 338.404 2.226 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000078596874 217083307 /nfs/dbraw/zinc/08/33/07/217083307.db2.gz TZEWFKXXXPDRSH-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907984 247032733 /nfs/dbraw/zinc/03/27/33/247032733.db2.gz XZKYARMFTXLIDE-WCQYABFASA-N 1 0 331.376 2.105 20 5 EEBDRO CC[C@@]1(O)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214792 247089719 /nfs/dbraw/zinc/08/97/19/247089719.db2.gz XNQKRJVLHLDONO-MEBBXXQBSA-N 1 0 341.795 2.422 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065890 248072706 /nfs/dbraw/zinc/07/27/06/248072706.db2.gz WPCZVPARPGOKFC-HPEDKQMDSA-N 1 0 333.388 2.325 20 5 EEBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266092892 248091316 /nfs/dbraw/zinc/09/13/16/248091316.db2.gz IPNWSDYFTZEGLR-CYBMUJFWSA-N 1 0 334.420 2.304 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266444062 248304087 /nfs/dbraw/zinc/30/40/87/248304087.db2.gz WQZMPVLSTJAVFG-NSHDSACASA-N 1 0 344.362 2.244 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000266540497 248351523 /nfs/dbraw/zinc/35/15/23/248351523.db2.gz GUFZDRORXJYZPX-HZPDHXFCSA-N 1 0 334.351 2.128 20 5 EEBDRO Cn1cc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000266616330 248384986 /nfs/dbraw/zinc/38/49/86/248384986.db2.gz YDYAQDBVGRRKGI-UHFFFAOYSA-N 1 0 330.388 2.414 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000093669018 218242768 /nfs/dbraw/zinc/24/27/68/218242768.db2.gz AKHVGBBCNKFGFG-UHFFFAOYSA-N 1 0 332.404 2.283 20 5 EEBDRO CNC(=O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093734161 218243585 /nfs/dbraw/zinc/24/35/85/218243585.db2.gz RIEFEQXGNJOKFX-UHFFFAOYSA-N 1 0 331.319 2.154 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770304 218248870 /nfs/dbraw/zinc/24/88/70/218248870.db2.gz RMYQAZSWQSATBX-CYBMUJFWSA-N 1 0 337.420 2.386 20 5 EEBDRO C[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117778662 221088377 /nfs/dbraw/zinc/08/83/77/221088377.db2.gz CRXHRAXCHOCMCO-UHFFFAOYSA-N 1 0 325.796 2.249 20 5 EEBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000270683123 256160451 /nfs/dbraw/zinc/16/04/51/256160451.db2.gz VNSYDKPSLBVLSY-BBRMVZONSA-N 1 0 331.372 2.423 20 5 EEBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000270686140 256160728 /nfs/dbraw/zinc/16/07/28/256160728.db2.gz ATALALDIJWXUKE-JTQLQIEISA-N 1 0 329.784 2.280 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000270552127 256147633 /nfs/dbraw/zinc/14/76/33/256147633.db2.gz RMMPEQNXQBYJNW-INIZCTEOSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283044 256228992 /nfs/dbraw/zinc/22/89/92/256228992.db2.gz CJRYJVXVRWEZBF-CABZTGNLSA-N 1 0 349.416 2.012 20 5 EEBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349432 256235903 /nfs/dbraw/zinc/23/59/03/256235903.db2.gz SNRKBGKAZPCFJJ-NSHDSACASA-N 1 0 331.319 2.329 20 5 EEBDRO CN(C(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273058119 256261196 /nfs/dbraw/zinc/26/11/96/256261196.db2.gz LWUKXFBZMCYNIA-DLBZAZTESA-N 1 0 333.388 2.105 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000273504456 256302443 /nfs/dbraw/zinc/30/24/43/256302443.db2.gz VWXLZORWPJGXHJ-QWHCGFSZSA-N 1 0 342.396 2.243 20 5 EEBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000328588712 258045418 /nfs/dbraw/zinc/04/54/18/258045418.db2.gz NADVWZASAPKQDH-KRWDZBQOSA-N 1 0 336.388 2.244 20 5 EEBDRO COc1c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000356636552 141029547 /nfs/dbraw/zinc/02/95/47/141029547.db2.gz RQCJLMCOYCUUDT-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCn3ccnc3C2)n1 ZINC000447596269 296518782 /nfs/dbraw/zinc/51/87/82/296518782.db2.gz CCRXLPJMFIRIQL-HZSPNIEDSA-N 1 0 330.392 2.076 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000111352740 142358152 /nfs/dbraw/zinc/35/81/52/142358152.db2.gz CGGOMDRAPSVDKZ-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342926626 152682351 /nfs/dbraw/zinc/68/23/51/152682351.db2.gz GMYBDDCDBYSLFR-GFCCVEGCSA-N 1 0 348.403 2.163 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354176365 153155306 /nfs/dbraw/zinc/15/53/06/153155306.db2.gz KBJJMYMUTIMGAW-RYUDHWBXSA-N 1 0 335.429 2.428 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000359479212 153388949 /nfs/dbraw/zinc/38/89/49/153388949.db2.gz YUENWYKHBDKKGK-CHWSQXEVSA-N 1 0 330.413 2.370 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](n2ccnc2)C1 ZINC000377168476 154070001 /nfs/dbraw/zinc/07/00/01/154070001.db2.gz MIBYIVANPCSMFX-LBPRGKRZSA-N 1 0 340.343 2.145 20 5 EEBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000067271100 159009345 /nfs/dbraw/zinc/00/93/45/159009345.db2.gz QTBWQLZXALTSCV-LBPRGKRZSA-N 1 0 345.403 2.321 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000081996328 159159426 /nfs/dbraw/zinc/15/94/26/159159426.db2.gz ZYHZZHWMCJZAFJ-UHFFFAOYSA-N 1 0 335.404 2.214 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009706 159190725 /nfs/dbraw/zinc/19/07/25/159190725.db2.gz YXIJOKXQNRDVKK-MRXNPFEDSA-N 1 0 333.388 2.343 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106785235 159321437 /nfs/dbraw/zinc/32/14/37/159321437.db2.gz IVRLTZDMKHMEPP-AWEZNQCLSA-N 1 0 347.415 2.497 20 5 EEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193132246 160178317 /nfs/dbraw/zinc/17/83/17/160178317.db2.gz PGZJTPYVQRADFX-UHFFFAOYSA-N 1 0 349.840 2.114 20 5 EEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000194932994 160202548 /nfs/dbraw/zinc/20/25/48/160202548.db2.gz BODHIMPVAWXLPD-CYBMUJFWSA-N 1 0 331.376 2.423 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000338354565 160747159 /nfs/dbraw/zinc/74/71/59/160747159.db2.gz KHOUTFGXOQDSOQ-YPMHNXCESA-N 1 0 335.335 2.219 20 5 EEBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000341981685 161029322 /nfs/dbraw/zinc/02/93/22/161029322.db2.gz JHIKRPSGMIUBNV-GFCCVEGCSA-N 1 0 349.387 2.298 20 5 EEBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000343078026 161101008 /nfs/dbraw/zinc/10/10/08/161101008.db2.gz ZTYLLFOTBHDYCF-UONOGXRCSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343427230 161134830 /nfs/dbraw/zinc/13/48/30/161134830.db2.gz DWIFRNMKKVXNNQ-KOLCDFICSA-N 1 0 343.330 2.409 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000344077648 161196559 /nfs/dbraw/zinc/19/65/59/161196559.db2.gz WRBROGFTYDNZIG-BHYGNILZSA-N 1 0 347.415 2.340 20 5 EEBDRO CC(C)[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000344231743 161209556 /nfs/dbraw/zinc/20/95/56/161209556.db2.gz ORZYXYXNTQJLPQ-UHFFFAOYSA-N 1 0 343.449 2.087 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000344397371 161223407 /nfs/dbraw/zinc/22/34/07/161223407.db2.gz SQHRBFYTWPBMDZ-IAGOWNOFSA-N 1 0 333.388 2.389 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344699348 161236936 /nfs/dbraw/zinc/23/69/36/161236936.db2.gz WCTXQXCRNSASDL-HNNXBMFYSA-N 1 0 334.420 2.243 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000344797218 161246536 /nfs/dbraw/zinc/24/65/36/161246536.db2.gz WCQFTHOTQCVEIP-MOVXZBDNSA-N 1 0 331.416 2.451 20 5 EEBDRO CC[N@H+](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000345164064 161277793 /nfs/dbraw/zinc/27/77/93/161277793.db2.gz QPTDMGQOWRZIBQ-UHFFFAOYSA-N 1 0 329.422 2.141 20 5 EEBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000352141513 162083016 /nfs/dbraw/zinc/08/30/16/162083016.db2.gz RJDFQIJCWJWZRT-CQSZACIVSA-N 1 0 328.372 2.175 20 5 EEBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000352139850 162083134 /nfs/dbraw/zinc/08/31/34/162083134.db2.gz IEDYCUONABFKAO-AWEZNQCLSA-N 1 0 328.372 2.175 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000352509360 162164529 /nfs/dbraw/zinc/16/45/29/162164529.db2.gz GGLQOPFARQYOHK-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C2CC2)CCOCC1 ZINC000375700256 167178078 /nfs/dbraw/zinc/17/80/78/167178078.db2.gz ZDKNSARBUBIGGT-UHFFFAOYSA-N 1 0 333.388 2.391 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376575662 167353312 /nfs/dbraw/zinc/35/33/12/167353312.db2.gz WDZDGUIIKRGTCE-CVEARBPZSA-N 1 0 346.431 2.406 20 5 EEBDRO COc1ccc(OCCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000158744333 225077453 /nfs/dbraw/zinc/07/74/53/225077453.db2.gz RVYMZDVJYUGQEX-ZBFHGGJFSA-N 1 0 349.431 2.398 20 5 EEBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000125395119 222557131 /nfs/dbraw/zinc/55/71/31/222557131.db2.gz BZPQWUPYEPESIJ-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000420255304 287603709 /nfs/dbraw/zinc/60/37/09/287603709.db2.gz FQROUAVCOPZBOW-HIFRSBDPSA-N 1 0 346.431 2.394 20 5 EEBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269704262 268724110 /nfs/dbraw/zinc/72/41/10/268724110.db2.gz MYQWLTHPXJNIHV-INIZCTEOSA-N 1 0 330.388 2.274 20 5 EEBDRO CCOc1cc(NC(=O)NCC[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000272644705 269003414 /nfs/dbraw/zinc/00/34/14/269003414.db2.gz MALJUXVGSNXHMT-UHFFFAOYSA-N 1 0 340.380 2.075 20 5 EEBDRO Cc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000274822532 269058399 /nfs/dbraw/zinc/05/83/99/269058399.db2.gz OZUDFZBONUQNJF-OAHLLOKOSA-N 1 0 338.433 2.462 20 5 EEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000275473798 269119269 /nfs/dbraw/zinc/11/92/69/269119269.db2.gz PFDPIVYSMDAIRB-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c(Cl)c1 ZINC000277430055 269155314 /nfs/dbraw/zinc/15/53/14/269155314.db2.gz BYRXPVIGOYIXJG-UHFFFAOYSA-N 1 0 325.796 2.203 20 5 EEBDRO COCC[N@H+](C)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278179587 269213830 /nfs/dbraw/zinc/21/38/30/269213830.db2.gz DBLZZLAZMDFVOC-UHFFFAOYSA-N 1 0 336.314 2.389 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1(S(C)(=O)=O)CCC1 ZINC000279831030 269309926 /nfs/dbraw/zinc/30/99/26/269309926.db2.gz QHAQUNKBMNFICE-UHFFFAOYSA-N 1 0 342.417 2.050 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280252651 269342674 /nfs/dbraw/zinc/34/26/74/269342674.db2.gz BNYOKZSXMCGWLI-YOEHRIQHSA-N 1 0 338.404 2.226 20 5 EEBDRO COc1ccc(OCC[N@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000280551544 269372094 /nfs/dbraw/zinc/37/20/94/269372094.db2.gz QMTFTRNJGQLNDG-CYBMUJFWSA-N 1 0 338.404 2.465 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000281029462 269403142 /nfs/dbraw/zinc/40/31/42/269403142.db2.gz VBVKHJIPXISGPE-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283666569 269551939 /nfs/dbraw/zinc/55/19/39/269551939.db2.gz FFVCZFYUAFFQOG-LLVKDONJSA-N 1 0 338.383 2.263 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271472156 274134195 /nfs/dbraw/zinc/13/41/95/274134195.db2.gz WBUXACNJTSBVGA-CYBMUJFWSA-N 1 0 340.387 2.370 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274604748 274210297 /nfs/dbraw/zinc/21/02/97/274210297.db2.gz UYEQGYKWMAINSY-UHFFFAOYSA-N 1 0 325.796 2.343 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000275844950 274268682 /nfs/dbraw/zinc/26/86/82/274268682.db2.gz XZCDPMGMZIHPQM-CQSZACIVSA-N 1 0 343.387 2.102 20 5 EEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000419002697 274364308 /nfs/dbraw/zinc/36/43/08/274364308.db2.gz PWLLGJNQRNEWDB-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000286170055 274844255 /nfs/dbraw/zinc/84/42/55/274844255.db2.gz PKWKSSXCOKPFKS-AWEZNQCLSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000287966055 275010626 /nfs/dbraw/zinc/01/06/26/275010626.db2.gz YZSKKUUZPIOFEP-CYBMUJFWSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420264987 275034797 /nfs/dbraw/zinc/03/47/97/275034797.db2.gz DIGBCAJZGZORJK-KGLIPLIRSA-N 1 0 343.387 2.471 20 5 EEBDRO COCCOCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290255791 275192729 /nfs/dbraw/zinc/19/27/29/275192729.db2.gz WCSXUIIQPRSRTM-UHFFFAOYSA-N 1 0 348.403 2.090 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1SC ZINC000157672069 277389039 /nfs/dbraw/zinc/38/90/39/277389039.db2.gz XSRDGZNAKWVCJQ-GXSJLCMTSA-N 1 0 339.417 2.183 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170712193 278215080 /nfs/dbraw/zinc/21/50/80/278215080.db2.gz HNIKWDRUFFWLPO-BBRMVZONSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000344935274 279120417 /nfs/dbraw/zinc/12/04/17/279120417.db2.gz LXZFKNDDZAKYLV-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000193683643 279164621 /nfs/dbraw/zinc/16/46/21/279164621.db2.gz PKFKFRMVTAFLJN-ZDUSSCGKSA-N 1 0 338.408 2.182 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000229093856 280198435 /nfs/dbraw/zinc/19/84/35/280198435.db2.gz UICJCTWIORMWAM-SCZZXKLOSA-N 1 0 343.225 2.482 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000453047013 280375969 /nfs/dbraw/zinc/37/59/69/280375969.db2.gz YXKCIWDRQHJJDH-IIDMSEBBSA-N 1 0 332.400 2.455 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359509099 289186230 /nfs/dbraw/zinc/18/62/30/289186230.db2.gz FKLXKMAYHGVKDB-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000281766487 292784746 /nfs/dbraw/zinc/78/47/46/292784746.db2.gz SVCATXCPFDTWPB-AWEZNQCLSA-N 1 0 349.431 2.471 20 5 EEBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293221581 293154875 /nfs/dbraw/zinc/15/48/75/293154875.db2.gz XYJBBRZODVIQBB-MRXNPFEDSA-N 1 0 335.404 2.310 20 5 EEBDRO Cc1nnsc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293863009 293313170 /nfs/dbraw/zinc/31/31/70/293313170.db2.gz XURIIWJDRDKDMK-VIFPVBQESA-N 1 0 335.389 2.262 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000294004058 293347679 /nfs/dbraw/zinc/34/76/79/293347679.db2.gz UHQOVXNOBBRBHJ-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294133171 293377920 /nfs/dbraw/zinc/37/79/20/293377920.db2.gz NVYAUKDEBOCYIH-CYBMUJFWSA-N 1 0 331.294 2.311 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000296624319 294024732 /nfs/dbraw/zinc/02/47/32/294024732.db2.gz VFKCOUYUNXHBEU-LSDHHAIUSA-N 1 0 333.388 2.349 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000297392484 294231723 /nfs/dbraw/zinc/23/17/23/294231723.db2.gz RCSVHTQNXAZEMP-SFHVURJKSA-N 1 0 346.431 2.265 20 5 EEBDRO CNC(=O)c1ccc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000297410456 294236597 /nfs/dbraw/zinc/23/65/97/294236597.db2.gz MGXKAEJAQFNIEF-UHFFFAOYSA-N 1 0 341.367 2.218 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262026083 297233044 /nfs/dbraw/zinc/23/30/44/297233044.db2.gz NGRVEAUPGCVXGN-CHWSQXEVSA-N 1 0 346.431 2.026 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313337900 311586429 /nfs/dbraw/zinc/58/64/29/311586429.db2.gz CVVOUBLMKXZLAC-KRWDZBQOSA-N 1 0 325.368 2.310 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332205135 311968713 /nfs/dbraw/zinc/96/87/13/311968713.db2.gz RGUDWSLOZNMDOV-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO COC(=O)c1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000414619075 313050698 /nfs/dbraw/zinc/05/06/98/313050698.db2.gz NKERXRHBFZRRBB-GFCCVEGCSA-N 1 0 334.332 2.477 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416502269 313240083 /nfs/dbraw/zinc/24/00/83/313240083.db2.gz OUYOFCIZIFRUDR-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417711870 313574078 /nfs/dbraw/zinc/57/40/78/313574078.db2.gz DYLHDBHPWXZNST-KBPBESRZSA-N 1 0 349.435 2.097 20 5 EEBDRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000417990672 313680070 /nfs/dbraw/zinc/68/00/70/313680070.db2.gz MMBUCRXHHLVAMW-GXFFZTMASA-N 1 0 340.811 2.169 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000420410468 313952383 /nfs/dbraw/zinc/95/23/83/313952383.db2.gz AKGHTHMQNDXYEO-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420456352 313964501 /nfs/dbraw/zinc/96/45/01/313964501.db2.gz AESWGPPHNVYTSJ-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420940749 314003757 /nfs/dbraw/zinc/00/37/57/314003757.db2.gz NDXVLFQCSWGJIF-JSGCOSHPSA-N 1 0 335.404 2.182 20 5 EEBDRO COc1cc(C(=O)NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000421679078 314140367 /nfs/dbraw/zinc/14/03/67/314140367.db2.gz HEFLVBFSSXITMY-UHFFFAOYSA-N 1 0 339.367 2.345 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000421703685 314144524 /nfs/dbraw/zinc/14/45/24/314144524.db2.gz MTKZJEZXJDWJTJ-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000422556693 314281363 /nfs/dbraw/zinc/28/13/63/314281363.db2.gz GOSQCDWIUJIXRS-UHFFFAOYSA-N 1 0 332.307 2.445 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640506 314298206 /nfs/dbraw/zinc/29/82/06/314298206.db2.gz VQYWARDCKPRTEA-UBHSHLNASA-N 1 0 334.420 2.147 20 5 EEBDRO COc1cc(CN2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430558132 314545556 /nfs/dbraw/zinc/54/55/56/314545556.db2.gz YEVRMIGNHCLXTP-SNVBAGLBSA-N 1 0 331.319 2.128 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000430577974 314550910 /nfs/dbraw/zinc/55/09/10/314550910.db2.gz OHSFTXIMWNPRLW-ZDUSSCGKSA-N 1 0 346.431 2.386 20 5 EEBDRO CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000441376043 315183926 /nfs/dbraw/zinc/18/39/26/315183926.db2.gz IZOMSUHBDFYLPG-JSGCOSHPSA-N 1 0 349.387 2.392 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC000449194131 315430091 /nfs/dbraw/zinc/43/00/91/315430091.db2.gz OJTRPVCOAZPABA-UHFFFAOYSA-N 1 0 332.360 2.133 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000449201064 315431638 /nfs/dbraw/zinc/43/16/38/315431638.db2.gz HXHYLWQMAHPCGR-OLZOCXBDSA-N 1 0 333.388 2.065 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449370299 315439842 /nfs/dbraw/zinc/43/98/42/315439842.db2.gz JHLARJFVVYITNP-UHFFFAOYSA-N 1 0 344.408 2.427 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000515621223 316508643 /nfs/dbraw/zinc/50/86/43/316508643.db2.gz JGLXGDANUBBFNU-VHDGCEQUSA-N 1 0 344.415 2.051 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525726805 317071385 /nfs/dbraw/zinc/07/13/85/317071385.db2.gz WYPJLVVNMSUKBJ-CQSZACIVSA-N 1 0 335.404 2.089 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000536838132 318011166 /nfs/dbraw/zinc/01/11/66/318011166.db2.gz HAOMJZWONZOJRC-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738969 318317916 /nfs/dbraw/zinc/31/79/16/318317916.db2.gz BANREOLNTYDITM-MRXNPFEDSA-N 1 0 349.431 2.383 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000548410831 318386821 /nfs/dbraw/zinc/38/68/21/318386821.db2.gz JMLTYVPZLXMNMY-GFCCVEGCSA-N 1 0 337.405 2.192 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000561208828 318831877 /nfs/dbraw/zinc/83/18/77/318831877.db2.gz UHVQMOMJLJHVCA-UHFFFAOYSA-N 1 0 342.827 2.478 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000562402310 318878177 /nfs/dbraw/zinc/87/81/77/318878177.db2.gz VFEGUCFGVFMSQZ-NILFDRSVSA-N 1 0 337.445 2.202 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1[N+](=O)[O-] ZINC000564655394 319098545 /nfs/dbraw/zinc/09/85/45/319098545.db2.gz IKBMVVLEJQNHNC-GDBMZVCRSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000566231242 319262551 /nfs/dbraw/zinc/26/25/51/319262551.db2.gz NUVKWIIMECWHJZ-ZANVPECISA-N 1 0 349.309 2.215 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000576254376 320156024 /nfs/dbraw/zinc/15/60/24/320156024.db2.gz JJSMUSCWQHTLQS-RISCZKNCSA-N 1 0 331.376 2.048 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182250797 323370170 /nfs/dbraw/zinc/37/01/70/323370170.db2.gz YXSBJBGXJPHSAV-WFASDCNBSA-N 1 0 337.376 2.089 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580652270 324105448 /nfs/dbraw/zinc/10/54/48/324105448.db2.gz FENBCQZNXSLJKG-FVQBIDKESA-N 1 0 330.388 2.311 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000581883751 324335035 /nfs/dbraw/zinc/33/50/35/324335035.db2.gz XMCQYYHEZHUUBL-INIZCTEOSA-N 1 0 346.431 2.487 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000583992948 324773622 /nfs/dbraw/zinc/77/36/22/324773622.db2.gz NDSFJSMCVYUSNQ-AWEZNQCLSA-N 1 0 332.404 2.098 20 5 EEBDRO CC(C)Oc1nc(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000518562614 448693137 /nfs/dbraw/zinc/69/31/37/448693137.db2.gz MTPPFIDPYVRZIE-UHFFFAOYSA-N 1 0 338.408 2.300 20 5 EEBDRO CC(C)Oc1nc(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000520838159 448937916 /nfs/dbraw/zinc/93/79/16/448937916.db2.gz RPKGYKBJRNGKOS-CYBMUJFWSA-N 1 0 338.408 2.036 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000609849822 450105395 /nfs/dbraw/zinc/10/53/95/450105395.db2.gz MYKYSNVMLSOOQK-CHWSQXEVSA-N 1 0 345.403 2.449 20 5 EEBDRO CCNc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000326900839 465045041 /nfs/dbraw/zinc/04/50/41/465045041.db2.gz KZMIAYOSGGPSMH-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cnn(Cc2ccccc2)c1 ZINC000358316947 465055739 /nfs/dbraw/zinc/05/57/39/465055739.db2.gz JHHPTGHHYWMCQU-AWEZNQCLSA-N 1 0 340.387 2.387 20 5 EEBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000341279461 465090972 /nfs/dbraw/zinc/09/09/72/465090972.db2.gz JUSCYQXHKALUPW-HNNXBMFYSA-N 1 0 342.399 2.789 20 5 EEBDRO CC(=O)NCC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347625937 465131651 /nfs/dbraw/zinc/13/16/51/465131651.db2.gz DCRSSCYEIGGLKW-HNNXBMFYSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000354823897 465174485 /nfs/dbraw/zinc/17/44/85/465174485.db2.gz YKCXFYMEZYUDPO-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863789 465199843 /nfs/dbraw/zinc/19/98/43/465199843.db2.gz YEBSAFBZZQHHLR-RDJZCZTQSA-N 1 0 347.394 2.031 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2C=C[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347771846 465218732 /nfs/dbraw/zinc/21/87/32/465218732.db2.gz AZHXINJHJUCRIS-IUODEOHRSA-N 1 0 328.372 2.022 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346221415 466002527 /nfs/dbraw/zinc/00/25/27/466002527.db2.gz LMRRCHJMQUZAAI-MRVPVSSYSA-N 1 0 344.209 2.346 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342136988 465295179 /nfs/dbraw/zinc/29/51/79/465295179.db2.gz VVUNTZPJWXQCBQ-LBPRGKRZSA-N 1 0 345.403 2.920 20 5 EEBDRO COc1cc(C(=O)N(C)CCCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000590671050 468300400 /nfs/dbraw/zinc/30/04/00/468300400.db2.gz YUAKQSRSFSVFFC-UHFFFAOYSA-N 1 0 327.356 2.156 20 5 EEBDRO COC[C@@](C)(CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000085902971 462563438 /nfs/dbraw/zinc/56/34/38/462563438.db2.gz ZTFCDXZNNVKKBA-QGZVFWFLSA-N 1 0 349.387 2.169 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087137355 462591881 /nfs/dbraw/zinc/59/18/81/462591881.db2.gz SMOWCGUWIFXVRF-UHFFFAOYSA-N 1 0 334.420 2.394 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834605 462612583 /nfs/dbraw/zinc/61/25/83/462612583.db2.gz WUXSGYZDBLVELM-LLVKDONJSA-N 1 0 343.225 2.015 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000063739745 462667866 /nfs/dbraw/zinc/66/78/66/462667866.db2.gz YXEVPOITTSJHQU-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089912507 462740993 /nfs/dbraw/zinc/74/09/93/462740993.db2.gz XKYVELNUAKRXDU-KRWDZBQOSA-N 1 0 349.431 2.047 20 5 EEBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015508 462767267 /nfs/dbraw/zinc/76/72/67/462767267.db2.gz ZULJWTNRZLATKX-CHWSQXEVSA-N 1 0 341.433 2.041 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c2ccncc21 ZINC000076268593 462832402 /nfs/dbraw/zinc/83/24/02/462832402.db2.gz WZXFYZRBZGGCHU-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EEBDRO O=c1c(Br)cn(Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000132418579 462856307 /nfs/dbraw/zinc/85/63/07/462856307.db2.gz RQXWABQQZPFWFE-UHFFFAOYSA-N 1 0 349.144 2.215 20 5 EEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155525075 462903063 /nfs/dbraw/zinc/90/30/63/462903063.db2.gz WLQRCGLAMJTNOQ-WBMJQRKESA-N 1 0 335.404 2.338 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000590756118 468328497 /nfs/dbraw/zinc/32/84/97/468328497.db2.gz GSHZJHYHRPONIG-HFBAOOFYSA-N 1 0 333.388 2.245 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000017281527 462997391 /nfs/dbraw/zinc/99/73/91/462997391.db2.gz HUNILWOGBVXCDJ-UHFFFAOYSA-N 1 0 341.433 2.283 20 5 EEBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120542449 463010258 /nfs/dbraw/zinc/01/02/58/463010258.db2.gz POYSEDFJZFBXMQ-WMZOPIPTSA-N 1 0 346.431 2.495 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000067744356 463046245 /nfs/dbraw/zinc/04/62/45/463046245.db2.gz MUJGUNGLMCTLHI-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067796404 463051918 /nfs/dbraw/zinc/05/19/18/463051918.db2.gz QGGPIQIBKSGLFN-ZIAGYGMSSA-N 1 0 333.388 2.107 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000094123182 463060196 /nfs/dbraw/zinc/06/01/96/463060196.db2.gz MSGOBQFQNQKKEZ-HNNXBMFYSA-N 1 0 349.431 2.361 20 5 EEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000157150571 463103739 /nfs/dbraw/zinc/10/37/39/463103739.db2.gz IYPDATNCTNCEPA-LLVKDONJSA-N 1 0 345.355 2.171 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068211047 463104847 /nfs/dbraw/zinc/10/48/47/463104847.db2.gz PZRABIXBERAIIF-GHMZBOCLSA-N 1 0 338.383 2.166 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078559623 463128438 /nfs/dbraw/zinc/12/84/38/463128438.db2.gz DBFAQBNJFKXJQP-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000136185151 463226554 /nfs/dbraw/zinc/22/65/54/463226554.db2.gz WJJFTRKSOUGLAI-SFHVURJKSA-N 1 0 328.368 2.397 20 5 EEBDRO CNc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055404159 463316505 /nfs/dbraw/zinc/31/65/05/463316505.db2.gz HCQSPRFNZRQLCO-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196731 463384313 /nfs/dbraw/zinc/38/43/13/463384313.db2.gz YUFZUULMSBCUMM-NEPJUHHUSA-N 1 0 336.392 2.116 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1O ZINC000105442809 463452655 /nfs/dbraw/zinc/45/26/55/463452655.db2.gz NJVDXOMNZMDXAT-NSHDSACASA-N 1 0 334.376 2.240 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)c2ccncc21 ZINC000105791632 463465872 /nfs/dbraw/zinc/46/58/72/463465872.db2.gz SMFLMRUCGHQFKR-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO Cc1sc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125094434 463502521 /nfs/dbraw/zinc/50/25/21/463502521.db2.gz BVDUIURYKBIULW-WDEREUQCSA-N 1 0 347.462 2.116 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000162376917 463504708 /nfs/dbraw/zinc/50/47/08/463504708.db2.gz RSFXOLMZYPEJQU-GHMZBOCLSA-N 1 0 326.194 2.009 20 5 EEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000163780654 463605503 /nfs/dbraw/zinc/60/55/03/463605503.db2.gz RPLUTDKVBOKTHU-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331109 463636661 /nfs/dbraw/zinc/63/66/61/463636661.db2.gz BXOVHVKRKINJCP-UHFFFAOYSA-N 1 0 344.799 2.338 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000043804777 463657125 /nfs/dbraw/zinc/65/71/25/463657125.db2.gz IJPMKDVVSREWEK-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC[C@@H]2CCCO2)n1 ZINC000170606831 463682766 /nfs/dbraw/zinc/68/27/66/463682766.db2.gz CUAKFGDWCSYLFO-RRFJBIMHSA-N 1 0 338.408 2.060 20 5 EEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000044669007 463688933 /nfs/dbraw/zinc/68/89/33/463688933.db2.gz DPURPXODNOIKNH-UHFFFAOYSA-N 1 0 349.435 2.096 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000177451857 463708008 /nfs/dbraw/zinc/70/80/08/463708008.db2.gz HRTGWPWBZQMABD-WDEREUQCSA-N 1 0 331.376 2.074 20 5 EEBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000286869653 463729853 /nfs/dbraw/zinc/72/98/53/463729853.db2.gz CQVJNGFNRRKWMT-CYBMUJFWSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000193822599 463744855 /nfs/dbraw/zinc/74/48/55/463744855.db2.gz AWZSQNAPBZRZAK-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193824357 463745351 /nfs/dbraw/zinc/74/53/51/463745351.db2.gz NMJFXXIFNDUTRW-UHFFFAOYSA-N 1 0 334.420 2.313 20 5 EEBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000171128528 463792706 /nfs/dbraw/zinc/79/27/06/463792706.db2.gz BAMAUPRKOBRHCW-GFCCVEGCSA-N 1 0 349.412 2.354 20 5 EEBDRO Cc1cc(N2CC[C@H](C)S(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276974257 463827054 /nfs/dbraw/zinc/82/70/54/463827054.db2.gz GFLFOHRWBAPKSL-LBPRGKRZSA-N 1 0 349.412 2.465 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000287218764 463838071 /nfs/dbraw/zinc/83/80/71/463838071.db2.gz FRTWNSLBGSRMGD-NVXWUHKLSA-N 1 0 346.431 2.406 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171450220 463866601 /nfs/dbraw/zinc/86/66/01/463866601.db2.gz ILNJAFSWITUNNW-AWEZNQCLSA-N 1 0 335.429 2.384 20 5 EEBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000283443912 463886614 /nfs/dbraw/zinc/88/66/14/463886614.db2.gz QSOWDDOMPCFUAQ-CYBMUJFWSA-N 1 0 334.420 2.169 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277707812 463926133 /nfs/dbraw/zinc/92/61/33/463926133.db2.gz DSQAPADWPSQYDS-UHFFFAOYSA-N 1 0 348.407 2.002 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171853044 463937451 /nfs/dbraw/zinc/93/74/51/463937451.db2.gz CVAPBJIPGKREJV-AWEZNQCLSA-N 1 0 349.435 2.180 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000269309695 463948736 /nfs/dbraw/zinc/94/87/36/463948736.db2.gz HKPHMCWODBTZQP-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339674112 465434746 /nfs/dbraw/zinc/43/47/46/465434746.db2.gz XDMVBUAIXASGKD-TZMCWYRMSA-N 1 0 335.429 2.430 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000178834877 463986721 /nfs/dbraw/zinc/98/67/21/463986721.db2.gz YLHWQOBORFFWBD-SNVBAGLBSA-N 1 0 325.796 2.377 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1[N+](=O)[O-] ZINC000278947178 464011899 /nfs/dbraw/zinc/01/18/99/464011899.db2.gz GUCYOWFRZAUETO-DGCLKSJQSA-N 1 0 343.387 2.194 20 5 EEBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000179092376 464054722 /nfs/dbraw/zinc/05/47/22/464054722.db2.gz VWFSKTFVYFKBGE-GFCCVEGCSA-N 1 0 332.385 2.152 20 5 EEBDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000292472566 464244708 /nfs/dbraw/zinc/24/47/08/464244708.db2.gz ZVIMCGDSRVTQPX-CYBMUJFWSA-N 1 0 333.367 2.141 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000292519352 464260272 /nfs/dbraw/zinc/26/02/72/464260272.db2.gz BNRDFSLOSNXINP-SNVBAGLBSA-N 1 0 326.372 2.166 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270780993 464266948 /nfs/dbraw/zinc/26/69/48/464266948.db2.gz JMVPKPYPLLABCU-HOCLYGCPSA-N 1 0 340.383 2.500 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCCO)Cc1ccccn1 ZINC000280913560 464273715 /nfs/dbraw/zinc/27/37/15/464273715.db2.gz FUSNYLRTXNISRW-UHFFFAOYSA-N 1 0 331.372 2.253 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292652285 464299509 /nfs/dbraw/zinc/29/95/09/464299509.db2.gz BTZGMKLKTSSPNM-QGZVFWFLSA-N 1 0 348.403 2.089 20 5 EEBDRO C[C@@H](O)[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264389326 464306549 /nfs/dbraw/zinc/30/65/49/464306549.db2.gz FFZBMFLBOGJNSK-QMTHXVAHSA-N 1 0 341.795 2.422 20 5 EEBDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686432 464308433 /nfs/dbraw/zinc/30/84/33/464308433.db2.gz BCALWLAPJWBJKS-KRWDZBQOSA-N 1 0 335.404 2.140 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237388613 464312841 /nfs/dbraw/zinc/31/28/41/464312841.db2.gz PRVFETFDKMFQKR-WBMJQRKESA-N 1 0 343.387 2.122 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000281096279 464329918 /nfs/dbraw/zinc/32/99/18/464329918.db2.gz DUBUPMJJWRQWCQ-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237631238 464353863 /nfs/dbraw/zinc/35/38/63/464353863.db2.gz RYQNIYWFXYFHAR-BJOHPYRUSA-N 1 0 341.795 2.259 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000188732926 464355199 /nfs/dbraw/zinc/35/51/99/464355199.db2.gz ZKZQLUVAVQUSGY-CQSZACIVSA-N 1 0 345.399 2.353 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237880963 464396477 /nfs/dbraw/zinc/39/64/77/464396477.db2.gz CJKDIHSOECYURT-CYBMUJFWSA-N 1 0 332.404 2.006 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000281307958 464409115 /nfs/dbraw/zinc/40/91/15/464409115.db2.gz ZTDCACHXBSFPRM-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238146689 464435615 /nfs/dbraw/zinc/43/56/15/464435615.db2.gz WPYHXTCAFJYHSL-LBPRGKRZSA-N 1 0 332.404 2.289 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000294289972 464456122 /nfs/dbraw/zinc/45/61/22/464456122.db2.gz BKDBFRPEBURFFK-STQMWFEESA-N 1 0 337.351 2.099 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000281632190 464528583 /nfs/dbraw/zinc/52/85/83/464528583.db2.gz QOYRHWWWBXKUFS-GJZGRUSLSA-N 1 0 349.431 2.471 20 5 EEBDRO CN1CC[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000265425214 464553428 /nfs/dbraw/zinc/55/34/28/464553428.db2.gz KSIOKYNOGGAGPP-UHFFFAOYSA-N 1 0 332.448 2.054 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175454006 464553658 /nfs/dbraw/zinc/55/36/58/464553658.db2.gz FFAVAXWLKNAAEP-UHFFFAOYSA-N 1 0 338.364 2.273 20 5 EEBDRO COc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294656110 464565244 /nfs/dbraw/zinc/56/52/44/464565244.db2.gz YWRRZJPYUVQXFL-UHFFFAOYSA-N 1 0 339.367 2.204 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182205899 464599067 /nfs/dbraw/zinc/59/90/67/464599067.db2.gz IAASVWZIHJVDPE-CYBMUJFWSA-N 1 0 349.387 2.270 20 5 EEBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(OCC[NH+](C)C)c1 ZINC000265678160 464644416 /nfs/dbraw/zinc/64/44/16/464644416.db2.gz DEVYUIWZNWNMMC-UHFFFAOYSA-N 1 0 332.360 2.424 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000282312101 464773809 /nfs/dbraw/zinc/77/38/09/464773809.db2.gz DNIGEFJMMSWSEI-UHFFFAOYSA-N 1 0 346.431 2.406 20 5 EEBDRO CCn1cc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000295287048 464775723 /nfs/dbraw/zinc/77/57/23/464775723.db2.gz BSVDYNKTGPVPQF-LBPRGKRZSA-N 1 0 343.387 2.051 20 5 EEBDRO CC(=O)c1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000286204037 464838303 /nfs/dbraw/zinc/83/83/03/464838303.db2.gz RTSGLECFEIKMGR-SFHVURJKSA-N 1 0 348.447 2.481 20 5 EEBDRO Cc1cc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000266860162 464848936 /nfs/dbraw/zinc/84/89/36/464848936.db2.gz WJFGXFBFKBZBHW-HOTGVXAUSA-N 1 0 347.463 2.293 20 5 EEBDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1COC1 ZINC000295510493 464864427 /nfs/dbraw/zinc/86/44/27/464864427.db2.gz UAWXRMUEOUXUQI-UHFFFAOYSA-N 1 0 325.340 2.172 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000176857631 464867803 /nfs/dbraw/zinc/86/78/03/464867803.db2.gz ABCBGFMJFRCZRZ-JCVNQNCUSA-N 1 0 335.404 2.081 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000295552993 464879183 /nfs/dbraw/zinc/87/91/83/464879183.db2.gz XEJDEKDUGIWNHG-SJKOYZFVSA-N 1 0 330.388 2.380 20 5 EEBDRO C[C@H]1COCCN1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192734004 464987851 /nfs/dbraw/zinc/98/78/51/464987851.db2.gz PHQVTCQPZGRISF-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276618563 465003583 /nfs/dbraw/zinc/00/35/83/465003583.db2.gz MKWYUSCEHDLZQF-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000177444761 465016703 /nfs/dbraw/zinc/01/67/03/465016703.db2.gz QHMSKGACBGTGIH-KRWDZBQOSA-N 1 0 349.387 2.117 20 5 EEBDRO C[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184723490 465022092 /nfs/dbraw/zinc/02/20/92/465022092.db2.gz AXVQOTWYQRHZGD-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000342408449 465319113 /nfs/dbraw/zinc/31/91/13/465319113.db2.gz CDALOOYBEDUYNM-QRTARXTBSA-N 1 0 335.379 2.471 20 5 EEBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337424513 465361820 /nfs/dbraw/zinc/36/18/20/465361820.db2.gz RIYDNWCMJVHYBI-XJKCOSOUSA-N 1 0 335.404 2.405 20 5 EEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000359538765 465440585 /nfs/dbraw/zinc/44/05/85/465440585.db2.gz NGCRIGFSGHQRTR-GWCFXTLKSA-N 1 0 348.359 2.148 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000298769554 465500001 /nfs/dbraw/zinc/50/00/01/465500001.db2.gz QMAJRCJFTYSEDQ-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356742818 465516992 /nfs/dbraw/zinc/51/69/92/465516992.db2.gz NIWKDZKXPXZMDW-ZDUSSCGKSA-N 1 0 345.403 2.239 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000343801759 465555831 /nfs/dbraw/zinc/55/58/31/465555831.db2.gz DCNSUNAGZIBBOI-SMDDNHRTSA-N 1 0 330.392 2.379 20 5 EEBDRO Cc1cc(NCc2nc(CO)cs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000361003688 465694130 /nfs/dbraw/zinc/69/41/30/465694130.db2.gz UNZZCKRMYJTLBP-UHFFFAOYSA-N 1 0 330.369 2.434 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371364693 465745777 /nfs/dbraw/zinc/74/57/77/465745777.db2.gz PDBPPTLKICRIRY-KGLIPLIRSA-N 1 0 342.399 2.362 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000361077221 465748805 /nfs/dbraw/zinc/74/88/05/465748805.db2.gz AEZRJBXJMKZWQU-OCCSQVGLSA-N 1 0 335.429 2.435 20 5 EEBDRO COC(=O)c1oc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1C ZINC000597126016 468451739 /nfs/dbraw/zinc/45/17/39/468451739.db2.gz BDKOQXAVMGTAOA-UHFFFAOYSA-N 1 0 333.344 2.248 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000366660277 465861281 /nfs/dbraw/zinc/86/12/81/465861281.db2.gz AXWWSZYHTGKVPT-IAGOWNOFSA-N 1 0 344.415 2.278 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230209 466010647 /nfs/dbraw/zinc/01/06/47/466010647.db2.gz MEUSEROJOBDWHB-AHIWAGSCSA-N 1 0 349.406 2.465 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@H]21 ZINC000301705402 466015013 /nfs/dbraw/zinc/01/50/13/466015013.db2.gz IEYZAXQYXAQMNI-SMDDNHRTSA-N 1 0 343.387 2.164 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362888971 466101444 /nfs/dbraw/zinc/10/14/44/466101444.db2.gz CJAXYNILLCOINP-SUMWQHHRSA-N 1 0 347.415 2.162 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332277332 466484924 /nfs/dbraw/zinc/48/49/24/466484924.db2.gz QQITUKZJHMHIDK-QWHCGFSZSA-N 1 0 330.388 2.101 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000341033255 466528140 /nfs/dbraw/zinc/52/81/40/466528140.db2.gz VZCQTESIBHDFSF-QWHCGFSZSA-N 1 0 341.433 2.136 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2(C)C)cc1SC ZINC000591678122 468501356 /nfs/dbraw/zinc/50/13/56/468501356.db2.gz JNLRUCYFOFEUFQ-UHFFFAOYSA-N 1 0 339.417 2.149 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000322295103 466631218 /nfs/dbraw/zinc/63/12/18/466631218.db2.gz TWIMDMKYPLIWKF-ZJUUUORDSA-N 1 0 325.315 2.230 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415448448 466683009 /nfs/dbraw/zinc/68/30/09/466683009.db2.gz UYKNAPRFEFTPFB-CYZMBNFOSA-N 1 0 334.376 2.195 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423256354 466704602 /nfs/dbraw/zinc/70/46/02/466704602.db2.gz BPXIPQAHZNYPBV-PBHICJAKSA-N 1 0 343.431 2.397 20 5 EEBDRO C[C@@H](c1cnn(C)c1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411505135 466837164 /nfs/dbraw/zinc/83/71/64/466837164.db2.gz WTSQMNQCEOOSMN-LBPRGKRZSA-N 1 0 331.376 2.350 20 5 EEBDRO Cc1ccc([C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365517644 466843738 /nfs/dbraw/zinc/84/37/38/466843738.db2.gz UGJLSOPKUUGDAT-MRXNPFEDSA-N 1 0 330.388 2.470 20 5 EEBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000375712185 466869295 /nfs/dbraw/zinc/86/92/95/466869295.db2.gz RCFHVORWMVLKSL-LBPRGKRZSA-N 1 0 345.359 2.301 20 5 EEBDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000411662161 466869724 /nfs/dbraw/zinc/86/97/24/466869724.db2.gz FHEQNFLHAAMYKA-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417714483 466915752 /nfs/dbraw/zinc/91/57/52/466915752.db2.gz HPECYHSVSMNDPO-KBPBESRZSA-N 1 0 334.420 2.309 20 5 EEBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000411959841 466948059 /nfs/dbraw/zinc/94/80/59/466948059.db2.gz VZXMYHCGOIRPMH-CYBMUJFWSA-N 1 0 344.371 2.160 20 5 EEBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000424011959 466950470 /nfs/dbraw/zinc/95/04/70/466950470.db2.gz SAGFUNJFTWPWEB-GFCCVEGCSA-N 1 0 343.387 2.194 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000411980418 466955535 /nfs/dbraw/zinc/95/55/35/466955535.db2.gz NLKPWWSNVZKMQP-DLBZAZTESA-N 1 0 325.368 2.296 20 5 EEBDRO CC[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417858211 466958290 /nfs/dbraw/zinc/95/82/90/466958290.db2.gz UVLPMKFDWNRPJC-LZWOXQAQSA-N 1 0 332.404 2.297 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424048727 466963030 /nfs/dbraw/zinc/96/30/30/466963030.db2.gz ZITRBBBTZMBFCA-MRXNPFEDSA-N 1 0 347.415 2.454 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424053086 466964002 /nfs/dbraw/zinc/96/40/02/466964002.db2.gz NTKFXPQYCNUASN-MGPQQGTHSA-N 1 0 334.420 2.229 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373932267 466973719 /nfs/dbraw/zinc/97/37/19/466973719.db2.gz GVJWDTMADCWGAV-ZIAGYGMSSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412063470 466990429 /nfs/dbraw/zinc/99/04/29/466990429.db2.gz BCLCUMJFZJZLDK-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418000872 467017704 /nfs/dbraw/zinc/01/77/04/467017704.db2.gz XHJUYIRCBOHOJW-GWCFXTLKSA-N 1 0 340.811 2.217 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000374163226 467019736 /nfs/dbraw/zinc/01/97/36/467019736.db2.gz OVCKKDQXAXYNSG-UHFFFAOYSA-N 1 0 332.404 2.125 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418434394 467110210 /nfs/dbraw/zinc/11/02/10/467110210.db2.gz VSQQIOLVNMOPJQ-CZUORRHYSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1=CC[NH2+]CC1 ZINC000427606307 467166562 /nfs/dbraw/zinc/16/65/62/467166562.db2.gz JIILGJXRLOLFBJ-SNVBAGLBSA-N 1 0 339.779 2.051 20 5 EEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000419344884 467191809 /nfs/dbraw/zinc/19/18/09/467191809.db2.gz SMPRDBHBHUJTQU-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257730 467198781 /nfs/dbraw/zinc/19/87/81/467198781.db2.gz DBPBYNVFWPTUNY-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000431948216 467205624 /nfs/dbraw/zinc/20/56/24/467205624.db2.gz DHVCLFOJUNTPDD-DLBZAZTESA-N 1 0 346.387 2.135 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C(F)(F)F)c1 ZINC000413315429 467214580 /nfs/dbraw/zinc/21/45/80/467214580.db2.gz KRBNVMPUQIGAMV-PHIMTYICSA-N 1 0 346.309 2.284 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000428649770 467255279 /nfs/dbraw/zinc/25/52/79/467255279.db2.gz SXIFDLQYZNVOIL-UHFFFAOYSA-N 1 0 346.431 2.311 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428985953 467287340 /nfs/dbraw/zinc/28/73/40/467287340.db2.gz MCHXZIFINSIJSO-OCCSQVGLSA-N 1 0 332.404 2.004 20 5 EEBDRO C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000433231070 467310175 /nfs/dbraw/zinc/31/01/75/467310175.db2.gz HWLNARGCSWVEJO-GFCCVEGCSA-N 1 0 342.758 2.077 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](CCCO)C3)n2)c1 ZINC000452127666 467333710 /nfs/dbraw/zinc/33/37/10/467333710.db2.gz LHUTXCJQJDJXKZ-LBPRGKRZSA-N 1 0 332.360 2.239 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000434244362 467383952 /nfs/dbraw/zinc/38/39/52/467383952.db2.gz HNGQZECYQICUEM-ZDUSSCGKSA-N 1 0 349.435 2.436 20 5 EEBDRO Cc1c(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000392509897 467427446 /nfs/dbraw/zinc/42/74/46/467427446.db2.gz SKWDRUFDPIKECP-QGZVFWFLSA-N 1 0 325.368 2.406 20 5 EEBDRO Cc1c(NC(=O)CCN2CCC[C@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430553775 467438650 /nfs/dbraw/zinc/43/86/50/467438650.db2.gz LXBUKLFOWMKZJM-BLLLJJGKSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC000453271037 467475233 /nfs/dbraw/zinc/47/52/33/467475233.db2.gz FYCWNPCUPQHXKG-VXGBXAGGSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC(=O)N1 ZINC000453596156 467501449 /nfs/dbraw/zinc/50/14/49/467501449.db2.gz ZUCRCVYJSPYBOA-MRXNPFEDSA-N 1 0 346.412 2.477 20 5 EEBDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420924698 467515687 /nfs/dbraw/zinc/51/56/87/467515687.db2.gz KGVYXFVUOYOJDF-OLZOCXBDSA-N 1 0 338.408 2.234 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448905196 467604989 /nfs/dbraw/zinc/60/49/89/467604989.db2.gz YQHPEPIMLZEYJT-UHFFFAOYSA-N 1 0 333.388 2.112 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)C ZINC000448980443 467610277 /nfs/dbraw/zinc/61/02/77/467610277.db2.gz PFRJVOBAQPTHQG-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449618663 467671573 /nfs/dbraw/zinc/67/15/73/467671573.db2.gz ZHZJIMMNZCAAIT-RPBQFNSTSA-N 1 0 344.415 2.415 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449650858 467677316 /nfs/dbraw/zinc/67/73/16/467677316.db2.gz UYXSLHCTZKCCLZ-ZYHUDNBSSA-N 1 0 325.796 2.424 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449771583 467711847 /nfs/dbraw/zinc/71/18/47/467711847.db2.gz KBINULSZDBHJJS-UHFFFAOYSA-N 1 0 335.404 2.425 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000457140312 467764906 /nfs/dbraw/zinc/76/49/06/467764906.db2.gz YLARIPAGUALJSH-AWEZNQCLSA-N 1 0 335.404 2.305 20 5 EEBDRO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000458174559 467783466 /nfs/dbraw/zinc/78/34/66/467783466.db2.gz ANCYBIXZDBDWEM-NSHDSACASA-N 1 0 339.367 2.204 20 5 EEBDRO Cc1nc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450305804 467822756 /nfs/dbraw/zinc/82/27/56/467822756.db2.gz RLCSFSCRSVEGQW-BETUJISGSA-N 1 0 349.435 2.019 20 5 EEBDRO NC(=O)c1c[nH+]ccc1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000514993206 467966844 /nfs/dbraw/zinc/96/68/44/467966844.db2.gz LUQYQPNQALHWBT-CYBMUJFWSA-N 1 0 326.356 2.473 20 5 EEBDRO CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000515496122 467995040 /nfs/dbraw/zinc/99/50/40/467995040.db2.gz FNDNJOQHWJDEDG-UONOGXRCSA-N 1 0 333.388 2.302 20 5 EEBDRO CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488195737 468076467 /nfs/dbraw/zinc/07/64/67/468076467.db2.gz DKOLIWYLCSFFPW-BBRMVZONSA-N 1 0 334.420 2.194 20 5 EEBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000488517904 468090019 /nfs/dbraw/zinc/09/00/19/468090019.db2.gz DEDGBLOMDTWSOD-OAHLLOKOSA-N 1 0 337.420 2.384 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598679 468180250 /nfs/dbraw/zinc/18/02/50/468180250.db2.gz RTWKHNWDFZFDNA-QAPCUYQASA-N 1 0 346.383 2.312 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533890541 468227816 /nfs/dbraw/zinc/22/78/16/468227816.db2.gz AMVQDVHZDAJKHM-CYBMUJFWSA-N 1 0 344.415 2.465 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000591744654 468513550 /nfs/dbraw/zinc/51/35/50/468513550.db2.gz UOEAZPBJWNUGCP-MRXNPFEDSA-N 1 0 348.374 2.444 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594215687 468515175 /nfs/dbraw/zinc/51/51/75/468515175.db2.gz STXBCCJLUGEHTL-ZBFHGGJFSA-N 1 0 332.404 2.411 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000591767443 468518712 /nfs/dbraw/zinc/51/87/12/468518712.db2.gz PKYCVVZVTUACDG-VQXHTEKXSA-N 1 0 334.294 2.265 20 5 EEBDRO O=C1NCC[C@@]12CCCN2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000569822606 468550496 /nfs/dbraw/zinc/55/04/96/468550496.db2.gz OPZGGBOODWIPFE-KRWDZBQOSA-N 1 0 342.355 2.104 20 5 EEBDRO CCOC(=O)Cc1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000591912138 468565482 /nfs/dbraw/zinc/56/54/82/468565482.db2.gz YHQHAJFNYOIHJQ-INIZCTEOSA-N 1 0 335.404 2.453 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594417635 468578591 /nfs/dbraw/zinc/57/85/91/468578591.db2.gz CXJQGJURVVHLLY-WCQYABFASA-N 1 0 335.408 2.017 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000594433692 468584945 /nfs/dbraw/zinc/58/49/45/468584945.db2.gz QTYGLLBDZSRGOL-KDOFPFPSSA-N 1 0 346.431 2.211 20 5 EEBDRO CCc1ccc([C@H](NC[C@H]2COCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600711864 468629361 /nfs/dbraw/zinc/62/93/61/468629361.db2.gz TUZLSZCITYOCTC-KBXCAEBGSA-N 1 0 345.399 2.418 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1C(C)C ZINC000600715588 468631141 /nfs/dbraw/zinc/63/11/41/468631141.db2.gz SVUSEQVWZXFNDU-MRXNPFEDSA-N 1 0 334.420 2.162 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000597706352 468646253 /nfs/dbraw/zinc/64/62/53/468646253.db2.gz TXENOWNBZXUINQ-UHFFFAOYSA-N 1 0 340.383 2.290 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597714165 468649025 /nfs/dbraw/zinc/64/90/25/468649025.db2.gz GWEFSZMQNQNVKI-SFHVURJKSA-N 1 0 347.415 2.090 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331663 468679080 /nfs/dbraw/zinc/67/90/80/468679080.db2.gz MHOLSSWZDJMIND-BXUZGUMPSA-N 1 0 332.404 2.369 20 5 EEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000600964306 468699124 /nfs/dbraw/zinc/69/91/24/468699124.db2.gz NYXDXIRPSQFKHN-UHFFFAOYSA-N 1 0 330.319 2.091 20 5 EEBDRO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000570993732 468724011 /nfs/dbraw/zinc/72/40/11/468724011.db2.gz ZZUXIRGRSODKNF-ZDUSSCGKSA-N 1 0 348.403 2.149 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595222818 468787922 /nfs/dbraw/zinc/78/79/22/468787922.db2.gz YGYXUNMIIJVLDN-OAHLLOKOSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218529 468795785 /nfs/dbraw/zinc/79/57/85/468795785.db2.gz HIPUGQSXUIZYMD-AWEZNQCLSA-N 1 0 349.435 2.013 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000595354966 468823559 /nfs/dbraw/zinc/82/35/59/468823559.db2.gz PWJQNBWSCNUERQ-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000584227378 468824593 /nfs/dbraw/zinc/82/45/93/468824593.db2.gz OQCPPVLQIVVJPC-KMFMINBZSA-N 1 0 338.404 2.128 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472320 468866650 /nfs/dbraw/zinc/86/66/50/468866650.db2.gz KXCLCJPMMIGCID-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595522029 468887878 /nfs/dbraw/zinc/88/78/78/468887878.db2.gz IBWASSOJFLGSNE-CQSZACIVSA-N 1 0 334.420 2.309 20 5 EEBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000595535051 468891072 /nfs/dbraw/zinc/89/10/72/468891072.db2.gz LPDADQHUUTZKFE-ZDUSSCGKSA-N 1 0 335.404 2.377 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561298 468913792 /nfs/dbraw/zinc/91/37/92/468913792.db2.gz PMFCMQUUSXNIJL-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598605640 468930250 /nfs/dbraw/zinc/93/02/50/468930250.db2.gz CKQZKIYMNOXNRJ-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000595705704 468963668 /nfs/dbraw/zinc/96/36/68/468963668.db2.gz YACDQPGDMDXRKV-ZDUSSCGKSA-N 1 0 349.435 2.179 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610477015 468977950 /nfs/dbraw/zinc/97/79/50/468977950.db2.gz HBDBIJZSIZJVEH-QGZVFWFLSA-N 1 0 349.431 2.290 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000610476232 468978931 /nfs/dbraw/zinc/97/89/31/468978931.db2.gz JVQKANCYSYMWQP-MRXNPFEDSA-N 1 0 337.395 2.421 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](n2ccnc2)C1 ZINC000593451625 468985139 /nfs/dbraw/zinc/98/51/39/468985139.db2.gz MPOIDPAJUJMBTH-AWEZNQCLSA-N 1 0 332.335 2.337 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000610515204 468990992 /nfs/dbraw/zinc/99/09/92/468990992.db2.gz BGOSONPUCRNHNE-ZBFHGGJFSA-N 1 0 335.404 2.029 20 5 EEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000562588006 468998164 /nfs/dbraw/zinc/99/81/64/468998164.db2.gz AOIYQDGSKHUKST-RRFJBIMHSA-N 1 0 338.404 2.002 20 5 EEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)CCF)cc1Br ZINC000602713259 469027910 /nfs/dbraw/zinc/02/79/10/469027910.db2.gz SAYLNROONQIVAQ-ZCFIWIBFSA-N 1 0 327.175 2.229 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000598913833 469047302 /nfs/dbraw/zinc/04/73/02/469047302.db2.gz PKVOVMPCZDCXQT-XJKSGUPXSA-N 1 0 348.403 2.345 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c[nH]1 ZINC000599002427 469084774 /nfs/dbraw/zinc/08/47/74/469084774.db2.gz ZKSUXUNJMCDFTJ-ZBFHGGJFSA-N 1 0 333.319 2.454 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CC[C@H](O)C3)o2)c1 ZINC000599019079 469090024 /nfs/dbraw/zinc/09/00/24/469090024.db2.gz QBYLUQFILXPLBM-HNNXBMFYSA-N 1 0 331.372 2.011 20 5 EEBDRO NC(=O)c1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596055316 469130175 /nfs/dbraw/zinc/13/01/75/469130175.db2.gz WDNMCSFZUCXJET-HNNXBMFYSA-N 1 0 340.383 2.380 20 5 EEBDRO Nc1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1[N+](=O)[O-] ZINC000596100927 469154998 /nfs/dbraw/zinc/15/49/98/469154998.db2.gz DPEAGYBMYIPSDK-LBPRGKRZSA-N 1 0 347.444 2.958 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CCC[C@@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000589051790 469189663 /nfs/dbraw/zinc/18/96/63/469189663.db2.gz GLIWGMKZQOFUSZ-CZUORRHYSA-N 1 0 343.383 2.349 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602542147 469354811 /nfs/dbraw/zinc/35/48/11/469354811.db2.gz ULXDQPMCKJQBCE-YPMHNXCESA-N 1 0 345.321 2.123 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000604318946 469467835 /nfs/dbraw/zinc/46/78/35/469467835.db2.gz IJCOEFIYUHITJQ-QGZVFWFLSA-N 1 0 346.431 2.407 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000614185468 469873787 /nfs/dbraw/zinc/87/37/87/469873787.db2.gz SNEVKDOLTORFQU-CYBMUJFWSA-N 1 0 345.403 2.020 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000609333423 469918353 /nfs/dbraw/zinc/91/83/53/469918353.db2.gz GQAMYZPQHFZIOG-UHFFFAOYSA-N 1 0 347.375 2.209 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601588264 485632708 /nfs/dbraw/zinc/63/27/08/485632708.db2.gz VSTPVKWDIQDRER-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156239876 533734566 /nfs/dbraw/zinc/73/45/66/533734566.db2.gz ZYPIUUWHROUFIY-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130200680 533929640 /nfs/dbraw/zinc/92/96/40/533929640.db2.gz QRMJMXPVCRZKAW-MNOVXSKESA-N 1 0 341.795 2.131 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000159708240 534320863 /nfs/dbraw/zinc/32/08/63/534320863.db2.gz HZJFBXFIPAKWOB-INIZCTEOSA-N 1 0 327.384 2.464 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000132118574 534321005 /nfs/dbraw/zinc/32/10/05/534321005.db2.gz QHWXZMWNCGDWDD-HNNXBMFYSA-N 1 0 345.374 2.460 20 5 EEBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153601303 529147107 /nfs/dbraw/zinc/14/71/07/529147107.db2.gz LJJVDYGVCPONSR-LBPRGKRZSA-N 1 0 341.843 2.329 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000446438021 535867287 /nfs/dbraw/zinc/86/72/87/535867287.db2.gz MJHMOLMVBROIAE-UHFFFAOYSA-N 1 0 331.372 2.321 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCc1ccc([N+](=O)[O-])cc1 ZINC000727080171 576403453 /nfs/dbraw/zinc/40/34/53/576403453.db2.gz HUHZLMXEIXYADS-UHFFFAOYSA-N 1 0 338.477 2.189 20 5 EEBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738080566 576430149 /nfs/dbraw/zinc/43/01/49/576430149.db2.gz GWDRMPUNVZMIHS-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000776587455 577463409 /nfs/dbraw/zinc/46/34/09/577463409.db2.gz HEPYJQWJFIGWKN-QAPCUYQASA-N 1 0 333.432 2.436 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000765444582 577501189 /nfs/dbraw/zinc/50/11/89/577501189.db2.gz YENFLYMVQOGRMG-QWHCGFSZSA-N 1 0 343.387 2.323 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959640 577984862 /nfs/dbraw/zinc/98/48/62/577984862.db2.gz JZSKUFGNELKKRJ-CYBMUJFWSA-N 1 0 332.408 2.022 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000741243261 578115264 /nfs/dbraw/zinc/11/52/64/578115264.db2.gz ULJCGNQTWRAOEC-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC001021834345 676513594 /nfs/dbraw/zinc/51/35/94/676513594.db2.gz PCJBRHKMWWPONF-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001021981919 676570695 /nfs/dbraw/zinc/57/06/95/676570695.db2.gz HUYIJNCIQBLSOL-GASCZTMLSA-N 1 0 343.383 2.476 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022048663 676616413 /nfs/dbraw/zinc/61/64/13/676616413.db2.gz BDUFLABMOPCONA-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO Cn1c2ccccc2c(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1=O ZINC000891781968 676829227 /nfs/dbraw/zinc/82/92/27/676829227.db2.gz OBNJNTJDLZMEAY-GFCCVEGCSA-N 1 0 342.399 2.343 20 5 EEBDRO CCCN(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042034 677766917 /nfs/dbraw/zinc/76/69/17/677766917.db2.gz OIRZRZRJWJAZPC-UHFFFAOYSA-N 1 0 335.408 2.220 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001022883768 678715223 /nfs/dbraw/zinc/71/52/23/678715223.db2.gz YODRDYJTPVCRET-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO [NH3+][C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000261969600 682697319 /nfs/dbraw/zinc/69/73/19/682697319.db2.gz UAYYMZNVQPAYOU-GFCCVEGCSA-N 1 0 332.385 2.185 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894464193 682908076 /nfs/dbraw/zinc/90/80/76/682908076.db2.gz IIPQLKFVIREDKF-ZDUSSCGKSA-N 1 0 344.415 2.367 20 5 EEBDRO Cc1nc(N2CC[NH+](CCc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000894843286 683182236 /nfs/dbraw/zinc/18/22/36/683182236.db2.gz JYCKZYIOUVQCST-UHFFFAOYSA-N 1 0 327.388 2.058 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000894956517 683424857 /nfs/dbraw/zinc/42/48/57/683424857.db2.gz SAGSVOAHORYHAY-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 ZINC001019931586 683494686 /nfs/dbraw/zinc/49/46/86/683494686.db2.gz YUKUMPQCQQASHL-HDJSIYSDSA-N 1 0 326.356 2.040 20 5 EEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178935143 683507276 /nfs/dbraw/zinc/50/72/76/683507276.db2.gz SBFTVUBMLKGMPU-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000153216758 683886732 /nfs/dbraw/zinc/88/67/32/683886732.db2.gz PVSHARIRLBFZHM-UHFFFAOYSA-N 1 0 349.387 2.259 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893264388 684385877 /nfs/dbraw/zinc/38/58/77/684385877.db2.gz COWAKONCWCWHPA-UHFFFAOYSA-N 1 0 336.436 2.367 20 5 EEBDRO O=C(c1cccnc1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989859259 692394668 /nfs/dbraw/zinc/39/46/68/692394668.db2.gz SAASALFFDXQFMX-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000905702678 1189873470 /nfs/dbraw/zinc/87/34/70/1189873470.db2.gz DPRVIVSFTYKMLI-OAHLLOKOSA-N 1 0 330.340 2.189 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001034645138 1196466933 /nfs/dbraw/zinc/46/69/33/1196466933.db2.gz WKZJSBTUYGTFCJ-HAQNSBGRSA-N 1 0 349.416 2.210 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000872051881 1198035436 /nfs/dbraw/zinc/03/54/36/1198035436.db2.gz OIWZEKBYMOIJGG-NXEZZACHSA-N 1 0 332.447 2.400 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(F)(F)F ZINC000872149561 1198058180 /nfs/dbraw/zinc/05/81/80/1198058180.db2.gz OQPBVUYFEBILGH-SCZZXKLOSA-N 1 0 344.293 2.305 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ocnc1C(F)F ZINC001133928803 1199183832 /nfs/dbraw/zinc/18/38/32/1199183832.db2.gz JAMZJVDINVFXIA-UHFFFAOYSA-N 1 0 340.286 2.040 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000825791109 1199246412 /nfs/dbraw/zinc/24/64/12/1199246412.db2.gz YCJGVSAVMCYNGC-OAHLLOKOSA-N 1 0 349.431 2.478 20 5 EEBDRO COc1csc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001132246273 1199474093 /nfs/dbraw/zinc/47/40/93/1199474093.db2.gz WOBZRZOTIMEOIX-UHFFFAOYSA-N 1 0 341.414 2.246 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825909827 1199774137 /nfs/dbraw/zinc/77/41/37/1199774137.db2.gz JUSPVKQMEGWGRT-GOEBONIOSA-N 1 0 335.404 2.009 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000877347080 1199910329 /nfs/dbraw/zinc/91/03/29/1199910329.db2.gz QILKHVNDVISJFL-OAHLLOKOSA-N 1 0 340.383 2.081 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CCC1 ZINC001132801773 1200038364 /nfs/dbraw/zinc/03/83/64/1200038364.db2.gz GTDODOXLIYVYSB-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO C[NH+](C)CC1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877971191 1200190493 /nfs/dbraw/zinc/19/04/93/1200190493.db2.gz WKKVHFNIBLOJIT-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878335549 1200405379 /nfs/dbraw/zinc/40/53/79/1200405379.db2.gz OKEZPDBTSRENJS-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1F ZINC000880203603 1201420455 /nfs/dbraw/zinc/42/04/55/1201420455.db2.gz DQSPKGFYLSAKNR-HNNXBMFYSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCSCC1 ZINC000866265805 1201480430 /nfs/dbraw/zinc/48/04/30/1201480430.db2.gz SFPCGAKERJZLLJ-LBPRGKRZSA-N 1 0 327.425 2.303 20 5 EEBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866280768 1201482653 /nfs/dbraw/zinc/48/26/53/1201482653.db2.gz ZUVLGFFJTTUZPQ-YWPYICTPSA-N 1 0 326.368 2.449 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000866358352 1201499950 /nfs/dbraw/zinc/49/99/50/1201499950.db2.gz XSCZERIYUBJVDA-RYUDHWBXSA-N 1 0 344.408 2.079 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866490983 1201530342 /nfs/dbraw/zinc/53/03/42/1201530342.db2.gz HEAJQQSYRSURGB-UHFFFAOYSA-N 1 0 349.362 2.460 20 5 EEBDRO C[C@@]1([NH3+])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000868078744 1201739348 /nfs/dbraw/zinc/73/93/48/1201739348.db2.gz PCLYOWPHCXBFJI-HXUWFJFHSA-N 1 0 335.407 2.104 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000130236619 1201952848 /nfs/dbraw/zinc/95/28/48/1201952848.db2.gz XIZYFWJIJWVLDQ-GASCZTMLSA-N 1 0 337.420 2.015 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC000884522146 1202330704 /nfs/dbraw/zinc/33/07/04/1202330704.db2.gz QLDGKOHUYRHHBG-BETUJISGSA-N 1 0 328.372 2.418 20 5 EEBDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000887057748 1204191477 /nfs/dbraw/zinc/19/14/77/1204191477.db2.gz WEWPBUHOMSNGIW-UFBFGSQYSA-N 1 0 344.209 2.347 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095374757 1204231635 /nfs/dbraw/zinc/23/16/35/1204231635.db2.gz HWSIVDLKSLLGMF-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO COc1cccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC000889826222 1204720607 /nfs/dbraw/zinc/72/06/07/1204720607.db2.gz MWOBVDJSXRGILD-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929459002 1206476782 /nfs/dbraw/zinc/47/67/82/1206476782.db2.gz FEAHVGXZTYOKHX-IRXDYDNUSA-N 1 0 331.416 2.499 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000931197337 1206614378 /nfs/dbraw/zinc/61/43/78/1206614378.db2.gz FGUCWSPMGUTQCO-CABCVRRESA-N 1 0 343.387 2.095 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724491 1207449425 /nfs/dbraw/zinc/44/94/25/1207449425.db2.gz BPPYCZOYXQIDDN-XPKDYRNWSA-N 1 0 332.404 2.090 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137680 1211324086 /nfs/dbraw/zinc/32/40/86/1211324086.db2.gz GUWITRISZQGTBB-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000245908318 1211997615 /nfs/dbraw/zinc/99/76/15/1211997615.db2.gz NQRUGDVJMUWEGQ-YPMHNXCESA-N 1 0 334.420 2.336 20 5 EEBDRO O=[N+]([O-])c1cnn(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000795718654 1215014697 /nfs/dbraw/zinc/01/46/97/1215014697.db2.gz MFNVOJXDZZNUGA-SFHVURJKSA-N 1 0 341.415 2.347 20 5 EEBDRO C[N@H+](CCCNC(=O)C(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000796111821 1215306303 /nfs/dbraw/zinc/30/63/03/1215306303.db2.gz GNJSTWOURQSKBH-UHFFFAOYSA-N 1 0 333.310 2.138 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096038018 1233837514 /nfs/dbraw/zinc/83/75/14/1233837514.db2.gz NKQZEWGWWBQICN-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001046841399 1235239667 /nfs/dbraw/zinc/23/96/67/1235239667.db2.gz OGSPPMPXNPVTTM-CTYIDZIISA-N 1 0 346.431 2.243 20 5 EEBDRO COc1cn(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000902269787 1237318331 /nfs/dbraw/zinc/31/83/31/1237318331.db2.gz MPAHQYVODXZFRT-UHFFFAOYSA-N 1 0 331.372 2.206 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001055927829 1238491645 /nfs/dbraw/zinc/49/16/45/1238491645.db2.gz WRTDSVQBMXHLBL-UHFFFAOYSA-N 1 0 346.431 2.036 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097203815 1243819014 /nfs/dbraw/zinc/81/90/14/1243819014.db2.gz YHOMQJOBALVEBC-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827462668 1248127324 /nfs/dbraw/zinc/12/73/24/1248127324.db2.gz LSVJQAQUMPAETF-WMLDXEAASA-N 1 0 349.431 2.112 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827497066 1248229510 /nfs/dbraw/zinc/22/95/10/1248229510.db2.gz SFQGZKNTNHVBBA-CHWSQXEVSA-N 1 0 328.372 2.418 20 5 EEBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104148276 1284917257 /nfs/dbraw/zinc/91/72/57/1284917257.db2.gz NQRUGDVJMUWEGQ-WCQYABFASA-N 1 0 334.420 2.336 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852899504 1292227525 /nfs/dbraw/zinc/22/75/25/1292227525.db2.gz KLRUPBQXWMTGRG-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853498717 1292401943 /nfs/dbraw/zinc/40/19/43/1292401943.db2.gz QEXHVWBWQMRLIH-OAHLLOKOSA-N 1 0 344.419 2.083 20 5 EEBDRO [NH3+]CCc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001216326196 1297138285 /nfs/dbraw/zinc/13/82/85/1297138285.db2.gz KIEBKGNLEXGIOR-UHFFFAOYSA-N 1 0 329.291 2.347 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2C[NH2+]Cc3ccccc32)[nH]1 ZINC001218485617 1297677586 /nfs/dbraw/zinc/67/75/86/1297677586.db2.gz DPLSMEOLSIWLSM-HNNXBMFYSA-N 1 0 338.323 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCCC[N+](C)(C)C)[C@H]2OCC[C@@H]21 ZINC001224620386 1300671867 /nfs/dbraw/zinc/67/18/67/1300671867.db2.gz XRQUXSQNACXCRO-XHSDSOJGSA-N 1 0 343.488 2.266 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OCCC[NH+]3CCCCC3)C2)nc1 ZINC001224859260 1300761282 /nfs/dbraw/zinc/76/12/82/1300761282.db2.gz JFYPFEQIYWRIQX-INIZCTEOSA-N 1 0 334.420 2.461 20 5 EEBDRO COCCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001227743741 1301949933 /nfs/dbraw/zinc/94/99/33/1301949933.db2.gz XDXFIIZAUBFLOY-UHFFFAOYSA-N 1 0 334.376 2.351 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001229113814 1302624123 /nfs/dbraw/zinc/62/41/23/1302624123.db2.gz FMJUNRQZMZVJFG-VKNWSKTCSA-N 1 0 346.383 2.480 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229150724 1302643389 /nfs/dbraw/zinc/64/33/89/1302643389.db2.gz AHONYOVWXDOVNM-SECBINFHSA-N 1 0 348.140 2.282 20 5 EEBDRO Cc1nc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001103455805 1302986109 /nfs/dbraw/zinc/98/61/09/1302986109.db2.gz OCFYGKOAVVAVGN-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC001111828137 1303957301 /nfs/dbraw/zinc/95/73/01/1303957301.db2.gz SAWGYKDRENZKTB-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1coc(CO[C@H]2CCCCO2)cc1=O ZINC001234845305 1305038236 /nfs/dbraw/zinc/03/82/36/1305038236.db2.gz SHXKLMFPNYBBPW-GUYCJALGSA-N 1 0 326.413 2.157 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001116027342 1305850175 /nfs/dbraw/zinc/85/01/75/1305850175.db2.gz XGBBAMHLSXGVCD-UONOGXRCSA-N 1 0 335.404 2.353 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]([NH3+])CC2)c1F ZINC001246540849 1310334907 /nfs/dbraw/zinc/33/49/07/1310334907.db2.gz KGEUZGPEHMMKOF-RYUDHWBXSA-N 1 0 325.384 2.487 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]([NH3+])[C@@H](F)CC2)c1F ZINC001246566256 1310346126 /nfs/dbraw/zinc/34/61/26/1310346126.db2.gz FMNIZNRNIKTIAU-WCFLWFBJSA-N 1 0 343.374 2.435 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001248745970 1310929935 /nfs/dbraw/zinc/92/99/35/1310929935.db2.gz JLHXLSMHLFCIFI-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000033865924 1314489652 /nfs/dbraw/zinc/48/96/52/1314489652.db2.gz XCSAWZBGJULQOW-AWEZNQCLSA-N 1 0 331.372 2.036 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000834861498 1314884526 /nfs/dbraw/zinc/88/45/26/1314884526.db2.gz IVVXWMIKOGARHX-VIFPVBQESA-N 1 0 325.674 2.258 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000839635740 1315223750 /nfs/dbraw/zinc/22/37/50/1315223750.db2.gz JSPQXIOIKUHHMX-KZNAEPCWSA-N 1 0 328.368 2.436 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857367 1315624903 /nfs/dbraw/zinc/62/49/03/1315624903.db2.gz XDYSJTDYZADRCE-JTQLQIEISA-N 1 0 326.784 2.129 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000843361335 1315900899 /nfs/dbraw/zinc/90/08/99/1315900899.db2.gz XZGHKPQUUIIFQP-LQDVMPOASA-N 1 0 343.387 2.489 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843508017 1315925803 /nfs/dbraw/zinc/92/58/03/1315925803.db2.gz OXZMFHXIAPKQBG-BQBZGAKWSA-N 1 0 348.172 2.352 20 5 EEBDRO CC(C)n1cccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151212783 1316477998 /nfs/dbraw/zinc/47/79/98/1316477998.db2.gz GOIGAMGVWLIKDK-UHFFFAOYSA-N 1 0 330.388 2.497 20 5 EEBDRO CCc1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001153210405 1316791704 /nfs/dbraw/zinc/79/17/04/1316791704.db2.gz RJRCQTRBYYYCAI-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001154758764 1317299643 /nfs/dbraw/zinc/29/96/43/1317299643.db2.gz DSZQLOMKICJGRY-UHFFFAOYSA-N 1 0 329.356 2.210 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cnc1Cl ZINC001155583728 1317659923 /nfs/dbraw/zinc/65/99/23/1317659923.db2.gz QKPVYFHBOQHDGC-JEZHCXPESA-N 1 0 332.738 2.280 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592072 1317663443 /nfs/dbraw/zinc/66/34/43/1317663443.db2.gz LUXVPEPYUMNBTP-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1Cl ZINC001155616454 1317675483 /nfs/dbraw/zinc/67/54/83/1317675483.db2.gz DJQJISUARFAAFS-YGRLFVJLSA-N 1 0 326.784 2.275 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001254465882 1318081324 /nfs/dbraw/zinc/08/13/24/1318081324.db2.gz ITEWBQOOCXTFLC-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001254532862 1318112156 /nfs/dbraw/zinc/11/21/56/1318112156.db2.gz QZVUWTWDNJGCSJ-BLLLJJGKSA-N 1 0 330.388 2.163 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254551020 1318118541 /nfs/dbraw/zinc/11/85/41/1318118541.db2.gz VMTGGMAKDOPKGW-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cn(Cc3ccncc3)cn1)C2 ZINC001254585682 1318133934 /nfs/dbraw/zinc/13/39/34/1318133934.db2.gz DWDMXYWEUGYGEJ-KRWDZBQOSA-N 1 0 349.394 2.492 20 5 EEBDRO CC(C)C(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598605 1318137960 /nfs/dbraw/zinc/13/79/60/1318137960.db2.gz IFRIBTIRCAETQX-QGZVFWFLSA-N 1 0 331.416 2.299 20 5 EEBDRO O=C1NCCCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254604762 1318142325 /nfs/dbraw/zinc/14/23/25/1318142325.db2.gz XLTVKVTVZXCXAS-INIZCTEOSA-N 1 0 329.400 2.054 20 5 EEBDRO Cc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612154 1318145973 /nfs/dbraw/zinc/14/59/73/1318145973.db2.gz VKNKWIHBVJKAJB-SJORKVTESA-N 1 0 340.383 2.314 20 5 EEBDRO Cc1ccn(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157106977 1318408353 /nfs/dbraw/zinc/40/83/53/1318408353.db2.gz OUNSSKGZJPJUBF-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO [NH3+]CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001157740412 1318828930 /nfs/dbraw/zinc/82/89/30/1318828930.db2.gz UDEWCHYBFXIAAT-JTQLQIEISA-N 1 0 329.316 2.482 20 5 EEBDRO [NH3+]CCN(c1cccnc1)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001158000371 1318966230 /nfs/dbraw/zinc/96/62/30/1318966230.db2.gz PFTYLXKRTOIARS-UHFFFAOYSA-N 1 0 329.147 2.183 20 5 EEBDRO COc1ccnc(N(c2cccc([N+](=O)[O-])n2)C2CC[NH2+]CC2)c1 ZINC001158321499 1319173041 /nfs/dbraw/zinc/17/30/41/1319173041.db2.gz ZXBFAAMNKLGWRN-UHFFFAOYSA-N 1 0 329.360 2.284 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001159393821 1319777984 /nfs/dbraw/zinc/77/79/84/1319777984.db2.gz MBQVWBRMUFLHSZ-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COc1ncc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160046710 1320056813 /nfs/dbraw/zinc/05/68/13/1320056813.db2.gz WSJFAPWHXKCTIJ-UHFFFAOYSA-N 1 0 347.350 2.291 20 5 EEBDRO [NH3+]Cc1nccnc1Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160245415 1320110778 /nfs/dbraw/zinc/11/07/78/1320110778.db2.gz BBVIUPLMQIVXDR-UHFFFAOYSA-N 1 0 331.723 2.184 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160735563 1320253781 /nfs/dbraw/zinc/25/37/81/1320253781.db2.gz GVJSRFVSTCJPCS-NKWVEPMBSA-N 1 0 339.705 2.299 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH3+])(CC2CCC2)CC1 ZINC001161569080 1320541821 /nfs/dbraw/zinc/54/18/21/1320541821.db2.gz BKJQHAASRJIFIA-UHFFFAOYSA-N 1 0 348.403 2.264 20 5 EEBDRO Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162476491 1320869076 /nfs/dbraw/zinc/86/90/76/1320869076.db2.gz ZHUICUFOVRAFFW-STQMWFEESA-N 1 0 331.351 2.472 20 5 EEBDRO COc1nc(-n2cc(CC[NH3+])c3c2cccc3Cl)ncc1[N+](=O)[O-] ZINC001162657834 1320922277 /nfs/dbraw/zinc/92/22/77/1320922277.db2.gz YIHHINUJYRDVNB-UHFFFAOYSA-N 1 0 347.762 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2nnn3c2C[NH2+]CCC3)c2ccccc21 ZINC001162979654 1321003984 /nfs/dbraw/zinc/00/39/84/1321003984.db2.gz QJLWLNUXCHUCLT-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)cn21 ZINC001163061572 1321026666 /nfs/dbraw/zinc/02/66/66/1321026666.db2.gz YAXGPHKEBHFWBX-ZDUSSCGKSA-N 1 0 340.387 2.266 20 5 EEBDRO O=[N+]([O-])c1c(NCc2noc3c2C[NH2+]CC3)ccc2cnccc21 ZINC001163134033 1321047376 /nfs/dbraw/zinc/04/73/76/1321047376.db2.gz IHJVTSXTCSEHEJ-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO C[C@@H]1c2ccccc2CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163960909 1321256936 /nfs/dbraw/zinc/25/69/36/1321256936.db2.gz OKCYJTSYGIVLKU-LLVKDONJSA-N 1 0 325.372 2.195 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ncc[nH]1 ZINC001164454445 1321383982 /nfs/dbraw/zinc/38/39/82/1321383982.db2.gz UGRNTOXEKDOKNT-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO COc1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164607605 1321433050 /nfs/dbraw/zinc/43/30/50/1321433050.db2.gz GMXACDRJTABFLY-CQSZACIVSA-N 1 0 328.372 2.019 20 5 EEBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001165108079 1321456585 /nfs/dbraw/zinc/45/65/85/1321456585.db2.gz KTPNELPIGOBDEP-OAHLLOKOSA-N 1 0 334.420 2.378 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165130935 1321461318 /nfs/dbraw/zinc/46/13/18/1321461318.db2.gz CUJMQPGCZBIXNA-UHFFFAOYSA-N 1 0 340.811 2.334 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C(C)C)[C@H](C)C1 ZINC001165199614 1321470016 /nfs/dbraw/zinc/47/00/16/1321470016.db2.gz DWDOFSHOLWNZSQ-GFCCVEGCSA-N 1 0 336.392 2.085 20 5 EEBDRO COc1cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165351721 1321506841 /nfs/dbraw/zinc/50/68/41/1321506841.db2.gz MEVFUQLHDAPNNB-UONOGXRCSA-N 1 0 326.356 2.074 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]2CF)CC1 ZINC001165432890 1321525579 /nfs/dbraw/zinc/52/55/79/1321525579.db2.gz UZXQGDSFEBESMK-MFKMUULPSA-N 1 0 331.351 2.051 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2cncc(Cl)c2)c1 ZINC001262574117 1322326349 /nfs/dbraw/zinc/32/63/49/1322326349.db2.gz LITLOXXTZCIITG-OAHLLOKOSA-N 1 0 337.763 2.345 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001262596232 1322330178 /nfs/dbraw/zinc/33/01/78/1322330178.db2.gz WYGMDKWOPKBUCE-HNNXBMFYSA-N 1 0 347.327 2.033 20 5 EEBDRO COc1ncc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001210138201 1325174542 /nfs/dbraw/zinc/17/45/42/1325174542.db2.gz OVNFKZOLZRCMRE-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC001308292487 1331582293 /nfs/dbraw/zinc/58/22/93/1331582293.db2.gz MMJODBNCMXQSML-INIZCTEOSA-N 1 0 342.355 2.412 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC001308409251 1331590376 /nfs/dbraw/zinc/59/03/76/1331590376.db2.gz XSEGFJCQZAEJQJ-DYVFJYSZSA-N 1 0 346.387 2.347 20 5 EEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001320835729 1332962072 /nfs/dbraw/zinc/96/20/72/1332962072.db2.gz BOMSGQLOPNCPQT-IRXDYDNUSA-N 1 0 347.415 2.495 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001321267111 1333059396 /nfs/dbraw/zinc/05/93/96/1333059396.db2.gz FEGJXKBEGFLJRU-GDBMZVCRSA-N 1 0 335.404 2.271 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001322491614 1333271129 /nfs/dbraw/zinc/27/11/29/1333271129.db2.gz XROGTXMQLIMSJB-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO CC[NH+](CC)Cc1ccc(-c2nnc(Cn3ccc([N+](=O)[O-])n3)o2)o1 ZINC001326198064 1334042070 /nfs/dbraw/zinc/04/20/70/1334042070.db2.gz JNRUXKOZZIZUTI-UHFFFAOYSA-N 1 0 346.347 2.324 20 5 EEBDRO O=C(c1ccn(-c2cc[nH+]cc2)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326416731 1334089433 /nfs/dbraw/zinc/08/94/33/1334089433.db2.gz ZFPOZNVESZHEHT-UHFFFAOYSA-N 1 0 335.323 2.332 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001327718580 1334338706 /nfs/dbraw/zinc/33/87/06/1334338706.db2.gz VHUGMMPLAZCWRT-HZPDHXFCSA-N 1 0 349.435 2.179 20 5 EEBDRO Cc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001330080360 1334775952 /nfs/dbraw/zinc/77/59/52/1334775952.db2.gz WLPMRAHLNIELAQ-UHFFFAOYSA-N 1 0 342.403 2.412 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC001331113078 1334965616 /nfs/dbraw/zinc/96/56/16/1334965616.db2.gz QBAWAVOIAXYPCN-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO CC(C)C[NH2+]CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001332424717 1335821722 /nfs/dbraw/zinc/82/17/22/1335821722.db2.gz PWEWNLQSDJRQCG-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333781661 1336131785 /nfs/dbraw/zinc/13/17/85/1336131785.db2.gz JEVGIWSGJQFOAM-CQSZACIVSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC001333874117 1336159237 /nfs/dbraw/zinc/15/92/37/1336159237.db2.gz QFSDFNZVVMVUJE-JTQLQIEISA-N 1 0 328.210 2.493 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001335477523 1336382121 /nfs/dbraw/zinc/38/21/21/1336382121.db2.gz ADDMJJYFPZQNKJ-IYBDPMFKSA-N 1 0 346.431 2.121 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCN(CC(F)F)CC2)c1 ZINC001346340179 1337482934 /nfs/dbraw/zinc/48/29/34/1337482934.db2.gz OYVIEWPMWANWRE-OAHLLOKOSA-N 1 0 343.374 2.195 20 5 EEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001351162649 1337791057 /nfs/dbraw/zinc/79/10/57/1337791057.db2.gz JGVYUEBSRDMBTD-BONVTDFDSA-N 1 0 341.770 2.270 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576016993 1343945986 /nfs/dbraw/zinc/94/59/86/1343945986.db2.gz KYLXVAKIQJYVPH-MCIONIFRSA-N 1 0 334.420 2.325 20 5 EEBDRO CC[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001577821539 1344201360 /nfs/dbraw/zinc/20/13/60/1344201360.db2.gz UKNKTLCEBXLCNG-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1F ZINC001579642836 1344402158 /nfs/dbraw/zinc/40/21/58/1344402158.db2.gz YGHJLSBSDZXXTF-SECBINFHSA-N 1 0 331.294 2.017 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001580262471 1344502983 /nfs/dbraw/zinc/50/29/83/1344502983.db2.gz VNIYOTDHFSVSFA-GXTWGEPZSA-N 1 0 343.387 2.232 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001600488515 1350063977 /nfs/dbraw/zinc/06/39/77/1350063977.db2.gz UOIOWYXNIRCVMX-ZHRONYKTSA-N 1 0 333.388 2.088 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001603080357 1350635672 /nfs/dbraw/zinc/63/56/72/1350635672.db2.gz CRWHPHSVNFJTOG-NSHDSACASA-N 1 0 331.380 2.060 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001604182003 1350886055 /nfs/dbraw/zinc/88/60/55/1350886055.db2.gz VXZLBJZTDNWTTE-NSHDSACASA-N 1 0 333.396 2.307 20 5 EEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286170119 1367316020 /nfs/dbraw/zinc/31/60/20/1367316020.db2.gz KBWMLZSKLKJYNN-FOSCPWQOSA-N 1 0 336.367 2.013 20 5 EEBDRO COc1cc(CN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000863652928 1369572608 /nfs/dbraw/zinc/57/26/08/1369572608.db2.gz ZGRJDPLNSJGYIH-VIFPVBQESA-N 1 0 333.335 2.026 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000900400852 1369923351 /nfs/dbraw/zinc/92/33/51/1369923351.db2.gz DAXNTYLFWUXEDE-QGZVFWFLSA-N 1 0 333.388 2.412 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000836855833 1372753942 /nfs/dbraw/zinc/75/39/42/1372753942.db2.gz XSKACLQRHNSILP-UHFFFAOYSA-N 1 0 326.372 2.166 20 5 EEBDRO C[C@@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)[N@H+]1C ZINC000840090988 1372921822 /nfs/dbraw/zinc/92/18/22/1372921822.db2.gz XFSQPQGAZNAGFM-OKILXGFUSA-N 1 0 329.404 2.440 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001576482301 1403577568 /nfs/dbraw/zinc/57/75/68/1403577568.db2.gz PBDBPSQVZYIQRX-UHFFFAOYSA-N 1 0 340.383 2.481 20 5 EEBDRO CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1cc(C[NH3+])ccn1 ZINC001578378273 1403743141 /nfs/dbraw/zinc/74/31/41/1403743141.db2.gz OKLRLEHKXMBQHU-UHFFFAOYSA-N 1 0 332.385 2.204 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000981765123 778161613 /nfs/dbraw/zinc/16/16/13/778161613.db2.gz QQCGAWKIPNNOBD-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(C)c(Cl)cc([N+](=O)[O-])c1OC ZINC001167901090 779631566 /nfs/dbraw/zinc/63/15/66/779631566.db2.gz NDIMEPRHDWKAQJ-SNVBAGLBSA-N 1 0 345.783 2.258 20 5 EEBDRO COc1ccnc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001167984526 781368619 /nfs/dbraw/zinc/36/86/19/781368619.db2.gz QADSRSGWTZTQMW-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+](C)C ZINC001112165823 781879001 /nfs/dbraw/zinc/87/90/01/781879001.db2.gz QXKJFQDIWICAQU-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000817131603 784527509 /nfs/dbraw/zinc/52/75/09/784527509.db2.gz GLGXYYDVHXRAJY-CQSZACIVSA-N 1 0 332.404 2.017 20 5 EEBDRO CCc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997771383 791040486 /nfs/dbraw/zinc/04/04/86/791040486.db2.gz GZDWVZQHWJOYSY-QZTJIDSGSA-N 1 0 345.443 2.242 20 5 EEBDRO O=C(CCCc1cccnc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135936646 784826736 /nfs/dbraw/zinc/82/67/36/784826736.db2.gz OLGFBMHPLHCJBX-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000817878853 785039330 /nfs/dbraw/zinc/03/93/30/785039330.db2.gz MWPXHHNMQUMSGT-AWEZNQCLSA-N 1 0 340.383 2.191 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818614191 785303219 /nfs/dbraw/zinc/30/32/19/785303219.db2.gz UZJKVJQYRBLVFA-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO O=C1Nc2ccccc2[C@@H]1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818978408 785348329 /nfs/dbraw/zinc/34/83/29/785348329.db2.gz JLNVGDSMTLFWHD-RDJZCZTQSA-N 1 0 341.367 2.344 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000819061936 785382157 /nfs/dbraw/zinc/38/21/57/785382157.db2.gz YGEHGIYJWYXMRI-XEZPLFJOSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000819110537 785429344 /nfs/dbraw/zinc/42/93/44/785429344.db2.gz DGHPEIMIBBZRLQ-INIZCTEOSA-N 1 0 331.328 2.369 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000819338846 785513072 /nfs/dbraw/zinc/51/30/72/785513072.db2.gz CICJTSALJOXZNC-QZTJIDSGSA-N 1 0 330.384 2.476 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCCC[C@@H]1C ZINC000801816400 785719889 /nfs/dbraw/zinc/71/98/89/785719889.db2.gz DMEYLDYJDKHSNN-QWRGUYRKSA-N 1 0 338.383 2.309 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714971 786434672 /nfs/dbraw/zinc/43/46/72/786434672.db2.gz JTEIPGUPKQTRRD-CABCVRRESA-N 1 0 343.387 2.095 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001107232830 786546888 /nfs/dbraw/zinc/54/68/88/786546888.db2.gz JCLJHKAUAIZXLV-AATRIKPKSA-N 1 0 334.420 2.328 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CCCC[NH+](C)C)n1 ZINC001107269493 786668920 /nfs/dbraw/zinc/66/89/20/786668920.db2.gz RALNWQGJOFOKTN-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1nc(C)ccc1[N+](=O)[O-] ZINC001107277242 786691781 /nfs/dbraw/zinc/69/17/81/786691781.db2.gz YZSYEFZDLKSTTN-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000821354768 786714140 /nfs/dbraw/zinc/71/41/40/786714140.db2.gz NGWCLAGXQFWRKV-ZIAGYGMSSA-N 1 0 337.445 2.329 20 5 EEBDRO C[NH+]1CCC(CC(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107352979 786961717 /nfs/dbraw/zinc/96/17/17/786961717.db2.gz SDCVFFQJQLBYRJ-IHWYPQMZSA-N 1 0 346.431 2.411 20 5 EEBDRO COCC1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CC[NH2+]CC1 ZINC000822723166 787354794 /nfs/dbraw/zinc/35/47/94/787354794.db2.gz SFQNNTIBXSPWBS-UHFFFAOYSA-N 1 0 332.360 2.221 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000823305881 787664008 /nfs/dbraw/zinc/66/40/08/787664008.db2.gz OWEBRYPUDNHYBB-CQSZACIVSA-N 1 0 345.403 2.097 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003328 787997701 /nfs/dbraw/zinc/99/77/01/787997701.db2.gz XQSLSXOMTZDABW-UHFFFAOYSA-N 1 0 335.408 2.419 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000843849726 788688660 /nfs/dbraw/zinc/68/86/60/788688660.db2.gz AYZCQRXSIAOKIE-LLVKDONJSA-N 1 0 348.359 2.192 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000923438396 789547693 /nfs/dbraw/zinc/54/76/93/789547693.db2.gz ZBMZWKFQKOXORH-WOPDTQHZSA-N 1 0 338.383 2.133 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923439423 789563331 /nfs/dbraw/zinc/56/33/31/789563331.db2.gz COFOQCVVYHUVFZ-SDDRHHMPSA-N 1 0 331.376 2.216 20 5 EEBDRO CC1(C)CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1CCO ZINC000845522678 789831095 /nfs/dbraw/zinc/83/10/95/789831095.db2.gz KNEBOBUPWVBILP-UHFFFAOYSA-N 1 0 331.775 2.280 20 5 EEBDRO Cc1cc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)ccc1[N+](=O)[O-] ZINC000913866473 794434188 /nfs/dbraw/zinc/43/41/88/794434188.db2.gz WWOJZAOJSKHICA-HNNXBMFYSA-N 1 0 340.401 2.098 20 5 EEBDRO Cc1ccc(NCCNC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001093823389 795709037 /nfs/dbraw/zinc/70/90/37/795709037.db2.gz DORAUAAPQQSPAG-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO CC1CC[NH+](CC(=O)NCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC001094541176 796374024 /nfs/dbraw/zinc/37/40/24/796374024.db2.gz IISSURXFLLNIMC-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO C[NH+](C)C1(C(=O)NCCCNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001094621553 796493655 /nfs/dbraw/zinc/49/36/55/796493655.db2.gz DPLBBTXZPHUPTO-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094640035 796509877 /nfs/dbraw/zinc/50/98/77/796509877.db2.gz NWRRRTWORLCJCO-UHFFFAOYSA-N 1 0 340.399 2.382 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CN(c3cnccn3)C1)CC2 ZINC001172913538 797172008 /nfs/dbraw/zinc/17/20/08/797172008.db2.gz WUFRSARMLQWQLP-OAHLLOKOSA-N 1 0 339.399 2.111 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2C[C@@](C)(O)C2)c1F ZINC001173180963 797279618 /nfs/dbraw/zinc/27/96/18/797279618.db2.gz AEDPRGQSJRTSTG-UVWXRNBGSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccncn2)c1F ZINC001173184521 797280251 /nfs/dbraw/zinc/28/02/51/797280251.db2.gz NPWFLIXWTMOCQS-NSHDSACASA-N 1 0 334.351 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](CO)C2)c1F ZINC001173184876 797280344 /nfs/dbraw/zinc/28/03/44/797280344.db2.gz PDPSARMMPRFQSE-NWDGAFQWSA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC(OC)OC)c1F ZINC001173197604 797284363 /nfs/dbraw/zinc/28/43/63/797284363.db2.gz VHFCZVCZTSFVCO-JTQLQIEISA-N 1 0 330.356 2.224 20 5 EEBDRO C[NH+](C)CCCCC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095186371 797496966 /nfs/dbraw/zinc/49/69/66/797496966.db2.gz WFUXVOMATWPHSM-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO Cc1ccc(N2CCCN(C(=O)CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095201789 797507641 /nfs/dbraw/zinc/50/76/41/797507641.db2.gz BJQOWXGUHIEBFV-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO Cc1cc(NC2(CNC(=O)CCCC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001110187644 798132543 /nfs/dbraw/zinc/13/25/43/798132543.db2.gz RGQSBQFBWQAWMI-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177313545 798852846 /nfs/dbraw/zinc/85/28/46/798852846.db2.gz CABGDPSEYAMQOV-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001110265974 801085603 /nfs/dbraw/zinc/08/56/03/801085603.db2.gz GLFPWTIJOBCTQH-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000922510350 801212870 /nfs/dbraw/zinc/21/28/70/801212870.db2.gz MOQXZMQUSZMWTE-RUZUBIRVSA-N 1 0 334.372 2.281 20 5 EEBDRO Cc1c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000922850343 802076139 /nfs/dbraw/zinc/07/61/39/802076139.db2.gz WJWLOHZVZURDCE-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168968789 803553417 /nfs/dbraw/zinc/55/34/17/803553417.db2.gz AKEKYMSIQMLOAS-MRLBHPIUSA-N 1 0 339.436 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169012187 803571510 /nfs/dbraw/zinc/57/15/10/803571510.db2.gz OPMUKKRTJOYEBY-REWJHTLYSA-N 1 0 345.415 2.369 20 5 EEBDRO O=C(c1ccccc1F)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169029041 803576286 /nfs/dbraw/zinc/57/62/86/803576286.db2.gz UCCYITUCJSALJS-KGLIPLIRSA-N 1 0 335.379 2.029 20 5 EEBDRO O=C1Nc2ncccc2C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169034510 803579164 /nfs/dbraw/zinc/57/91/64/803579164.db2.gz GSGQOYBDTCSYCR-OLZOCXBDSA-N 1 0 346.387 2.380 20 5 EEBDRO O=C(c1ccccc1)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169022715 803588342 /nfs/dbraw/zinc/58/83/42/803588342.db2.gz SCYDRCICTPKBCN-NRSFXHEJSA-N 1 0 343.427 2.136 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(CC)nc21 ZINC001169022999 803589095 /nfs/dbraw/zinc/58/90/95/803589095.db2.gz NYXIPSJYDHZOPG-VNQPRFMTSA-N 1 0 336.436 2.284 20 5 EEBDRO COc1cc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169054221 803596278 /nfs/dbraw/zinc/59/62/78/803596278.db2.gz KWYGETSIWZELSE-UONOGXRCSA-N 1 0 335.404 2.379 20 5 EEBDRO CC1(C)C[C@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C[C@@](C)(C[NH3+])C1 ZINC001169140434 803643615 /nfs/dbraw/zinc/64/36/15/803643615.db2.gz GFERQBJTLILOPM-ZUZCIYMTSA-N 1 0 326.372 2.323 20 5 EEBDRO C[C@@H]1C[NH+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000804339365 804091495 /nfs/dbraw/zinc/09/14/95/804091495.db2.gz FGVDTWYGIIMTRR-VXGBXAGGSA-N 1 0 338.364 2.414 20 5 EEBDRO C[NH+]1CCC(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790619903 808848044 /nfs/dbraw/zinc/84/80/44/808848044.db2.gz SPVUVJPTPWAUPV-UHFFFAOYSA-N 1 0 343.786 2.388 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355500 809902533 /nfs/dbraw/zinc/90/25/33/809902533.db2.gz HGKDQGGJVWIOLG-ZFWWWQNUSA-N 1 0 347.415 2.231 20 5 EEBDRO COc1ccc(C)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130981752 812260419 /nfs/dbraw/zinc/26/04/19/812260419.db2.gz ZLMRFAZAFKXMDO-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808190383 812505841 /nfs/dbraw/zinc/50/58/41/812505841.db2.gz GIVQGNLVKOEHFM-XJKSGUPXSA-N 1 0 329.404 2.461 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001522826950 1119514049 /nfs/dbraw/zinc/51/40/49/1119514049.db2.gz NSTGUUVFNLKIIV-OUAUKWLOSA-N 1 0 325.796 2.388 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186742252 529903344 /nfs/dbraw/zinc/90/33/44/529903344.db2.gz VNQKBUIEMCMJJL-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990904 530004231 /nfs/dbraw/zinc/00/42/31/530004231.db2.gz DTUGNPJUTAJZIY-NSHDSACASA-N 1 0 334.298 2.016 20 5 EEBDRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178570017 232263338 /nfs/dbraw/zinc/26/33/38/232263338.db2.gz QPDLVXDQBXPIME-KRWDZBQOSA-N 1 0 343.383 2.006 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000065977952 215001769 /nfs/dbraw/zinc/00/17/69/215001769.db2.gz QLNUNKYUCNVTDQ-UHFFFAOYSA-N 1 0 341.433 2.186 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000181168865 234103422 /nfs/dbraw/zinc/10/34/22/234103422.db2.gz ZHNGUWIYYIEXBH-CYBMUJFWSA-N 1 0 347.371 2.024 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130858682 223182159 /nfs/dbraw/zinc/18/21/59/223182159.db2.gz JRYNUYSSQMNYOF-CYBMUJFWSA-N 1 0 345.403 2.449 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000422016490 240100769 /nfs/dbraw/zinc/10/07/69/240100769.db2.gz GTJMGOJMYFMFAE-MRXNPFEDSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000422806797 240236292 /nfs/dbraw/zinc/23/62/92/240236292.db2.gz NSGUGGOVNXMAGW-JTQLQIEISA-N 1 0 343.836 2.456 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245498539 243117231 /nfs/dbraw/zinc/11/72/31/243117231.db2.gz WKCFTJYIAIWKRG-BBRMVZONSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611334 243176408 /nfs/dbraw/zinc/17/64/08/243176408.db2.gz PBEVJEMIQSUQRU-MZPVMMEZSA-N 1 0 347.415 2.309 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000246858490 243329268 /nfs/dbraw/zinc/32/92/68/243329268.db2.gz DVBKSCMJPIZBFK-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000261966085 244744792 /nfs/dbraw/zinc/74/47/92/244744792.db2.gz YKZJVXRUFBJPOF-QMMMGPOBSA-N 1 0 336.348 2.259 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774481 245244440 /nfs/dbraw/zinc/24/44/40/245244440.db2.gz UGMZUNHPOMHPLI-KCPJHIHWSA-N 1 0 333.388 2.469 20 5 EEBDRO CC[C@]1(O)CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214791 247089598 /nfs/dbraw/zinc/08/95/98/247089598.db2.gz XNQKRJVLHLDONO-BONVTDFDSA-N 1 0 341.795 2.422 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000266398730 248281311 /nfs/dbraw/zinc/28/13/11/248281311.db2.gz PACNFFWVGKSSFK-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266410003 248286612 /nfs/dbraw/zinc/28/66/12/248286612.db2.gz GISPNORVRPBBIZ-GWCFXTLKSA-N 1 0 340.330 2.123 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000266540499 248351989 /nfs/dbraw/zinc/35/19/89/248351989.db2.gz GUFZDRORXJYZPX-JKSUJKDBSA-N 1 0 334.351 2.128 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000270736328 256166390 /nfs/dbraw/zinc/16/63/90/256166390.db2.gz KLAKHTMHMWFERE-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO CNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272814641 256241224 /nfs/dbraw/zinc/24/12/24/256241224.db2.gz HPPMASKGXJCPJG-GFCCVEGCSA-N 1 0 328.372 2.414 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189213343 533538544 /nfs/dbraw/zinc/53/85/44/533538544.db2.gz XHWDBXLGOFOKDR-LBPRGKRZSA-N 1 0 333.388 2.126 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173287015 152155911 /nfs/dbraw/zinc/15/59/11/152155911.db2.gz AHYQMCSHJYNPGK-OAHLLOKOSA-N 1 0 347.415 2.354 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000354164355 153147073 /nfs/dbraw/zinc/14/70/73/153147073.db2.gz SBSHMYLDJATDCG-QQNRWZHASA-N 1 0 343.387 2.029 20 5 EEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccnc1 ZINC000132364032 292399888 /nfs/dbraw/zinc/39/98/88/292399888.db2.gz SQFYIBJASDZXJB-UHFFFAOYSA-N 1 0 342.355 2.420 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246227434 286785376 /nfs/dbraw/zinc/78/53/76/286785376.db2.gz RPBSXVRGCZMTMJ-GJZGRUSLSA-N 1 0 346.431 2.340 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CC(C)C ZINC000185279226 160033937 /nfs/dbraw/zinc/03/39/37/160033937.db2.gz AEBNNUPNNPWVPX-GFCCVEGCSA-N 1 0 337.424 2.058 20 5 EEBDRO CSC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187898016 160111543 /nfs/dbraw/zinc/11/15/43/160111543.db2.gz XAWSTPBWPISHHE-ZDUSSCGKSA-N 1 0 326.418 2.162 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000237866061 160225881 /nfs/dbraw/zinc/22/58/81/160225881.db2.gz GFIIUBRUGIQZMS-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CCOC[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246195611 160266915 /nfs/dbraw/zinc/26/69/15/160266915.db2.gz MATNKSMIYHJTBC-BBRMVZONSA-N 1 0 333.388 2.059 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852159 160958446 /nfs/dbraw/zinc/95/84/46/160958446.db2.gz PSDCCKXNSMSKFG-IIDMSEBBSA-N 1 0 347.415 2.493 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000342719751 161085915 /nfs/dbraw/zinc/08/59/15/161085915.db2.gz CDGVLBVASRTEAW-UHFFFAOYSA-N 1 0 340.383 2.133 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474667 161231263 /nfs/dbraw/zinc/23/12/63/161231263.db2.gz XPMCCNQELKKVOY-BQDHKBFISA-N 1 0 347.415 2.349 20 5 EEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000344830256 161249269 /nfs/dbraw/zinc/24/92/69/161249269.db2.gz OBIBTTAYWZPZCK-UHFFFAOYSA-N 1 0 348.378 2.276 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000344866066 161252037 /nfs/dbraw/zinc/25/20/37/161252037.db2.gz OEYUZOBQKPQZHZ-UHFFFAOYSA-N 1 0 325.434 2.487 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000346672355 161390519 /nfs/dbraw/zinc/39/05/19/161390519.db2.gz UGWFJLLPOZFGFE-GXTWGEPZSA-N 1 0 349.387 2.115 20 5 EEBDRO O=C1COc2ccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2N1 ZINC000352712739 162256096 /nfs/dbraw/zinc/25/60/96/162256096.db2.gz FQINLDUDDSVNFW-UHFFFAOYSA-N 1 0 327.340 2.258 20 5 EEBDRO CN(C)Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000359604515 164135264 /nfs/dbraw/zinc/13/52/64/164135264.db2.gz CCZBNCUOFWOQEN-UHFFFAOYSA-N 1 0 344.371 2.449 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000375468965 167141344 /nfs/dbraw/zinc/14/13/44/167141344.db2.gz GRPZYSSHXKHYQC-IAGOWNOFSA-N 1 0 349.431 2.336 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000375757879 167186852 /nfs/dbraw/zinc/18/68/52/167186852.db2.gz MUXNWYIYRVOCII-ZBFHGGJFSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637988 269001978 /nfs/dbraw/zinc/00/19/78/269001978.db2.gz XYSSKIDHYFXKJF-HEHGZKQESA-N 1 0 332.404 2.391 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637990 269002138 /nfs/dbraw/zinc/00/21/38/269002138.db2.gz XYSSKIDHYFXKJF-XEZPLFJOSA-N 1 0 332.404 2.391 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272674317 269006730 /nfs/dbraw/zinc/00/67/30/269006730.db2.gz UKDWBHQHQZZZDM-XHDPSFHLSA-N 1 0 337.807 2.343 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000275440824 269116069 /nfs/dbraw/zinc/11/60/69/269116069.db2.gz KIKRJCIUSZLXHV-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000279094977 269261519 /nfs/dbraw/zinc/26/15/19/269261519.db2.gz GSQMYBIUULCQFQ-UHFFFAOYSA-N 1 0 343.786 2.482 20 5 EEBDRO C[C@]1(O)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280202544 269338173 /nfs/dbraw/zinc/33/81/73/269338173.db2.gz USLKGDZWICRKNV-INIZCTEOSA-N 1 0 332.360 2.382 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281199203 269412001 /nfs/dbraw/zinc/41/20/01/269412001.db2.gz PDCPYBGSUDFMCF-XHDPSFHLSA-N 1 0 343.387 2.164 20 5 EEBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341405378 273815122 /nfs/dbraw/zinc/81/51/22/273815122.db2.gz PVXLKCHHKIIMPS-AWEZNQCLSA-N 1 0 342.399 2.279 20 5 EEBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000189050140 274036550 /nfs/dbraw/zinc/03/65/50/274036550.db2.gz ONHJDRUFRUFBOK-UHFFFAOYSA-N 1 0 325.368 2.383 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000271846510 274159020 /nfs/dbraw/zinc/15/90/20/274159020.db2.gz VQNXYQVCEUUMGA-XJKSGUPXSA-N 1 0 332.404 2.108 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000449320009 274254995 /nfs/dbraw/zinc/25/49/95/274254995.db2.gz HUIFZXQKAFDMOG-NWDGAFQWSA-N 1 0 326.418 2.081 20 5 EEBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278665983 274385160 /nfs/dbraw/zinc/38/51/60/274385160.db2.gz NRLPJFNDWMFWEX-BDJLRTHQSA-N 1 0 349.412 2.348 20 5 EEBDRO CCc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278740101 274397607 /nfs/dbraw/zinc/39/76/07/274397607.db2.gz WPONWURWVYTZPM-CQSZACIVSA-N 1 0 349.431 2.388 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285044334 274670266 /nfs/dbraw/zinc/67/02/66/274670266.db2.gz IJRHPGSKRXTPLT-LLVKDONJSA-N 1 0 337.376 2.101 20 5 EEBDRO CCN(CCC[NH+](CC)CC)c1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287692309 274984129 /nfs/dbraw/zinc/98/41/29/274984129.db2.gz JXVIFAMFMZJMPM-UHFFFAOYSA-N 1 0 338.408 2.335 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000288104784 275024369 /nfs/dbraw/zinc/02/43/69/275024369.db2.gz AXHKILJXASKREB-UHFFFAOYSA-N 1 0 331.416 2.470 20 5 EEBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000288371649 275051563 /nfs/dbraw/zinc/05/15/63/275051563.db2.gz JVJFAPBYINBCDI-SNVBAGLBSA-N 1 0 343.330 2.362 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000288578815 275072101 /nfs/dbraw/zinc/07/21/01/275072101.db2.gz VAIHCHQGUHPTJA-LLVKDONJSA-N 1 0 344.371 2.015 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000289364581 275111580 /nfs/dbraw/zinc/11/15/80/275111580.db2.gz ZNSBPSNJNBNZMX-JOCQHMNTSA-N 1 0 334.420 2.156 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289621378 275133354 /nfs/dbraw/zinc/13/33/54/275133354.db2.gz JVYCNAFFSBNBIU-JTQLQIEISA-N 1 0 342.783 2.090 20 5 EEBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000289858435 275155808 /nfs/dbraw/zinc/15/58/08/275155808.db2.gz QMGWTIZTYWSTIJ-UHFFFAOYSA-N 1 0 347.371 2.283 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](C)OC ZINC000291213344 275282667 /nfs/dbraw/zinc/28/26/67/275282667.db2.gz KVOFINVOFHDFNH-LLVKDONJSA-N 1 0 327.356 2.419 20 5 EEBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292136288 275382279 /nfs/dbraw/zinc/38/22/79/275382279.db2.gz IUYODDNVDRCEPG-RDTXWAMCSA-N 1 0 333.432 2.434 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269340773 276040538 /nfs/dbraw/zinc/04/05/38/276040538.db2.gz HPHJCOVIICRBGA-GFCCVEGCSA-N 1 0 335.408 2.142 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354223117 276224366 /nfs/dbraw/zinc/22/43/66/276224366.db2.gz NFTBRFOCUQEPTF-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000374295005 277193851 /nfs/dbraw/zinc/19/38/51/277193851.db2.gz LKTICSUQHROETL-IAGOWNOFSA-N 1 0 325.368 2.422 20 5 EEBDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589036 277332642 /nfs/dbraw/zinc/33/26/42/277332642.db2.gz WJVBVMCSMYYCPZ-UONOGXRCSA-N 1 0 337.424 2.027 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354955962 278366237 /nfs/dbraw/zinc/36/62/37/278366237.db2.gz YDJQZQQRRRKUBP-NSHDSACASA-N 1 0 344.371 2.015 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000339947746 279130464 /nfs/dbraw/zinc/13/04/64/279130464.db2.gz SAKXIPUWDXMVGK-LBPRGKRZSA-N 1 0 338.408 2.133 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000339950004 279130489 /nfs/dbraw/zinc/13/04/89/279130489.db2.gz ZDJWVYXXYYWNHU-LBPRGKRZSA-N 1 0 338.408 2.133 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180702417 279323306 /nfs/dbraw/zinc/32/33/06/279323306.db2.gz GOQYSHNTQBNZIW-FRRDWIJNSA-N 1 0 334.420 2.273 20 5 EEBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376213711 279882044 /nfs/dbraw/zinc/88/20/44/279882044.db2.gz YVXUXDSUSMDBPM-DZGCQCFKSA-N 1 0 336.411 2.196 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420359277 280662438 /nfs/dbraw/zinc/66/24/38/280662438.db2.gz KGHKQUBFOVXZOL-INIZCTEOSA-N 1 0 334.420 2.339 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCC(F)(F)F ZINC000293494676 293222456 /nfs/dbraw/zinc/22/24/56/293222456.db2.gz ZHKLONSRTUXQOB-GFCCVEGCSA-N 1 0 336.310 2.009 20 5 EEBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000293643570 293259636 /nfs/dbraw/zinc/25/96/36/293259636.db2.gz HQIARCYQXKOPRW-CQSZACIVSA-N 1 0 347.415 2.306 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000293647581 293260184 /nfs/dbraw/zinc/26/01/84/293260184.db2.gz OMTXKLMBUOUSNY-UKRRQHHQSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000294163136 293385955 /nfs/dbraw/zinc/38/59/55/293385955.db2.gz OBUUFKGIZGBSMT-GOSISDBHSA-N 1 0 331.416 2.390 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000296005098 293868551 /nfs/dbraw/zinc/86/85/51/293868551.db2.gz NCVIHNQKTJIKMB-NSHDSACASA-N 1 0 331.376 2.164 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036330 293876843 /nfs/dbraw/zinc/87/68/43/293876843.db2.gz FBIFNVCIUXELDF-RHSMWYFYSA-N 1 0 335.404 2.351 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000297110988 294154831 /nfs/dbraw/zinc/15/48/31/294154831.db2.gz XYWYEXUWYOJXIK-ZDUSSCGKSA-N 1 0 334.420 2.217 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3cccc(F)c3[N+](=O)[O-])cn2)CC1 ZINC000299164109 294678886 /nfs/dbraw/zinc/67/88/86/294678886.db2.gz SVXTYJBSQQTGPD-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301729359 294887968 /nfs/dbraw/zinc/88/79/68/294887968.db2.gz RPKPDKDGZNJXNY-CYBMUJFWSA-N 1 0 336.348 2.168 20 5 EEBDRO O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000324794762 311601602 /nfs/dbraw/zinc/60/16/02/311601602.db2.gz MZZONLXTAJGJSM-UKRRQHHQSA-N 1 0 332.404 2.140 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411985569 312596105 /nfs/dbraw/zinc/59/61/05/312596105.db2.gz DSVHTGKSUKUUSR-CJNGLKHVSA-N 1 0 338.404 2.259 20 5 EEBDRO CCOC(=O)c1cc(-c2nc(C3([NH3+])CCC3)no2)cc([N+](=O)[O-])c1 ZINC000414638027 313054033 /nfs/dbraw/zinc/05/40/33/313054033.db2.gz CSFVHFMHOJSXPV-UHFFFAOYSA-N 1 0 332.316 2.159 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[NH2+]CC1 ZINC000414954563 313114465 /nfs/dbraw/zinc/11/44/65/313114465.db2.gz SSFXKXWKJJVDHB-UHFFFAOYSA-N 1 0 330.291 2.023 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000415767737 313182184 /nfs/dbraw/zinc/18/21/84/313182184.db2.gz UPIIQGBEMRKNTJ-KBPBESRZSA-N 1 0 336.392 2.127 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000417715307 313575152 /nfs/dbraw/zinc/57/51/52/313575152.db2.gz JSSUMTNMRKSWKN-ZIAGYGMSSA-N 1 0 334.420 2.309 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417770956 313590662 /nfs/dbraw/zinc/59/06/62/313590662.db2.gz UWZXRZMEBJDISQ-OAHLLOKOSA-N 1 0 334.420 2.215 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417940197 313659042 /nfs/dbraw/zinc/65/90/42/313659042.db2.gz LOYGTIQDJDYZGO-OAHLLOKOSA-N 1 0 334.420 2.215 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000418607961 313859079 /nfs/dbraw/zinc/85/90/79/313859079.db2.gz AWFZNOROVKICEM-OCCSQVGLSA-N 1 0 332.404 2.409 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000420997333 314019201 /nfs/dbraw/zinc/01/92/01/314019201.db2.gz GYMKXYXQQSCDOY-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000421705251 314145279 /nfs/dbraw/zinc/14/52/79/314145279.db2.gz QVHPXSDUMNUNTR-CQSZACIVSA-N 1 0 332.404 2.335 20 5 EEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000439089176 315067020 /nfs/dbraw/zinc/06/70/20/315067020.db2.gz WELRVGBNBJAXBI-LBPRGKRZSA-N 1 0 343.387 2.273 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000516866461 316602994 /nfs/dbraw/zinc/60/29/94/316602994.db2.gz ZDSLBGUJUIZRDI-MRXNPFEDSA-N 1 0 340.383 2.253 20 5 EEBDRO COCC[C@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000517674937 316681906 /nfs/dbraw/zinc/68/19/06/316681906.db2.gz AUDNHQXFKPRHIQ-HNNXBMFYSA-N 1 0 328.340 2.028 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000539295489 318053613 /nfs/dbraw/zinc/05/36/13/318053613.db2.gz OPYDIZXDXAFJBA-DUVNUKRYSA-N 1 0 335.404 2.190 20 5 EEBDRO COCc1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559290424 318744377 /nfs/dbraw/zinc/74/43/77/318744377.db2.gz DATJAFYOMWQGQA-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560080493 318763410 /nfs/dbraw/zinc/76/34/10/318763410.db2.gz NANRHTRLPJDIBZ-UHFFFAOYSA-N 1 0 347.415 2.406 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C[NH+](C)C ZINC000563548191 319022593 /nfs/dbraw/zinc/02/25/93/319022593.db2.gz CKHCYZLWTSLMFA-LBPRGKRZSA-N 1 0 340.399 2.180 20 5 EEBDRO CC1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564845295 319117514 /nfs/dbraw/zinc/11/75/14/319117514.db2.gz SGFTWRVZELEBPL-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC(C)([NH3+])c1nocc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000565215145 319163366 /nfs/dbraw/zinc/16/33/66/319163366.db2.gz SEXYUIQKXPLXQN-UHFFFAOYSA-N 1 0 338.751 2.360 20 5 EEBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000566117069 319247319 /nfs/dbraw/zinc/24/73/19/319247319.db2.gz LVBIIJMCNNTFHW-INIZCTEOSA-N 1 0 330.384 2.475 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCSC1 ZINC000566129349 319249100 /nfs/dbraw/zinc/24/91/00/319249100.db2.gz CPWCTDPJCOZAMP-STQMWFEESA-N 1 0 326.418 2.067 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000566131375 319249271 /nfs/dbraw/zinc/24/92/71/319249271.db2.gz KTIUFZVVXHVMOE-VXGBXAGGSA-N 1 0 337.401 2.184 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc3ccccc3s2)c1 ZINC000569893394 319616972 /nfs/dbraw/zinc/61/69/72/319616972.db2.gz FEGDYXDKLCEFOB-ZDUSSCGKSA-N 1 0 332.385 2.157 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H](CO)Cc2ccccc2)n1 ZINC000574068782 319992812 /nfs/dbraw/zinc/99/28/12/319992812.db2.gz TWFFKYXJICXCPA-BRWVUGGUSA-N 1 0 344.415 2.468 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccccc1F ZINC000576977481 320221625 /nfs/dbraw/zinc/22/16/25/320221625.db2.gz QNHRSNTUMWXBOX-CQSZACIVSA-N 1 0 334.347 2.306 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000581427892 324251593 /nfs/dbraw/zinc/25/15/93/324251593.db2.gz RGPKPIPFFJESPB-STQMWFEESA-N 1 0 337.424 2.130 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581489685 324264327 /nfs/dbraw/zinc/26/43/27/324264327.db2.gz DLLHSBCWPRSPGF-UHFFFAOYSA-N 1 0 348.447 2.445 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000085394358 462544348 /nfs/dbraw/zinc/54/43/48/462544348.db2.gz DHBOUYMBRPSQQU-CJNGLKHVSA-N 1 0 334.420 2.119 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[NH+](C)C)CC1 ZINC000350953258 465046130 /nfs/dbraw/zinc/04/61/30/465046130.db2.gz VVVFHKWGJTWSGR-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000341277646 465088935 /nfs/dbraw/zinc/08/89/35/465088935.db2.gz MFXOEVJKFUVJFN-VNHYZAJKSA-N 1 0 334.420 2.384 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339126781 465098528 /nfs/dbraw/zinc/09/85/28/465098528.db2.gz HBKHRFKXGSBVFB-HNNXBMFYSA-N 1 0 336.392 2.169 20 5 EEBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000347592463 465111182 /nfs/dbraw/zinc/11/11/82/465111182.db2.gz NNBZOYJSYDSHHO-CABCVRRESA-N 1 0 343.431 2.423 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000354795481 465159604 /nfs/dbraw/zinc/15/96/04/465159604.db2.gz WQORJMZFKMFPKH-CYBMUJFWSA-N 1 0 340.387 2.343 20 5 EEBDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339304750 465198115 /nfs/dbraw/zinc/19/81/15/465198115.db2.gz MYKKKWFJLJOGHB-KGLIPLIRSA-N 1 0 338.408 2.283 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000341544192 465224940 /nfs/dbraw/zinc/22/49/40/465224940.db2.gz HAWVPAXXTIXIHI-ZDUSSCGKSA-N 1 0 334.420 2.235 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000358680346 465260666 /nfs/dbraw/zinc/26/06/66/465260666.db2.gz JXAGITNHAGAUCG-HUUCEWRRSA-N 1 0 332.404 2.329 20 5 EEBDRO Nc1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000590571132 468276296 /nfs/dbraw/zinc/27/62/96/468276296.db2.gz CRGFMVYZYFKTFN-UHFFFAOYSA-N 1 0 327.388 2.780 20 5 EEBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000337435149 465368645 /nfs/dbraw/zinc/36/86/45/465368645.db2.gz WKQDSMIFSIFVRQ-HZPDHXFCSA-N 1 0 336.367 2.278 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000088250743 462619834 /nfs/dbraw/zinc/61/98/34/462619834.db2.gz KMRFYBJBXMVBEU-UHFFFAOYSA-N 1 0 331.372 2.321 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]C(C)(C)C)cc1SC ZINC000153839846 462698200 /nfs/dbraw/zinc/69/82/00/462698200.db2.gz UYOPVPYKXFSACS-UHFFFAOYSA-N 1 0 341.433 2.443 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115274830 462704368 /nfs/dbraw/zinc/70/43/68/462704368.db2.gz QIIGADLGLNJELY-GDBMZVCRSA-N 1 0 349.431 2.462 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC(=O)OC ZINC000064570649 462710119 /nfs/dbraw/zinc/71/01/19/462710119.db2.gz SFJXZYMKCNYCJX-UHFFFAOYSA-N 1 0 337.376 2.117 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000075667409 462748523 /nfs/dbraw/zinc/74/85/23/462748523.db2.gz MUYMPTADBOGYDM-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743338 462755508 /nfs/dbraw/zinc/75/55/08/462755508.db2.gz ZAWLRJVNJPXCIU-ZWKOTPCHSA-N 1 0 344.415 2.206 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000090191997 462785814 /nfs/dbraw/zinc/78/58/14/462785814.db2.gz BHFNJWQYIHMITI-INIZCTEOSA-N 1 0 343.431 2.434 20 5 EEBDRO CC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072486 462800204 /nfs/dbraw/zinc/80/02/04/462800204.db2.gz RUMXVGRPRGUYNI-ZFWWWQNUSA-N 1 0 326.418 2.162 20 5 EEBDRO COc1ccc(OCCN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000076089561 462805632 /nfs/dbraw/zinc/80/56/32/462805632.db2.gz FBYCXSCHOXGCJK-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO C[NH+](C)C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066045228 462847856 /nfs/dbraw/zinc/84/78/56/462847856.db2.gz PCCDDVMEGZTRLX-UHFFFAOYSA-N 1 0 330.388 2.102 20 5 EEBDRO CCc1nn(C)c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091736633 462900972 /nfs/dbraw/zinc/90/09/72/462900972.db2.gz QTFZHQVHGJNJIM-STQMWFEESA-N 1 0 339.440 2.192 20 5 EEBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000156216946 462994160 /nfs/dbraw/zinc/99/41/60/462994160.db2.gz DERDALQDRIVQBS-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCC1 ZINC000068217436 463106292 /nfs/dbraw/zinc/10/62/92/463106292.db2.gz MQACOUJZOOXHRW-CQSZACIVSA-N 1 0 344.415 2.398 20 5 EEBDRO C[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000068372818 463127793 /nfs/dbraw/zinc/12/77/93/463127793.db2.gz XWAPYDVVJDCGBD-UHFFFAOYSA-N 1 0 349.434 2.365 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157425202 463130593 /nfs/dbraw/zinc/13/05/93/463130593.db2.gz WYPZRSIVKZWTAS-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000135358738 463146687 /nfs/dbraw/zinc/14/66/87/463146687.db2.gz ZZYWZGQJVQLNFT-UHFFFAOYSA-N 1 0 339.367 2.102 20 5 EEBDRO CNC(=O)c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000053573341 463175673 /nfs/dbraw/zinc/17/56/73/463175673.db2.gz NFLBNSIDWQSYHE-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000069739101 463314606 /nfs/dbraw/zinc/31/46/06/463314606.db2.gz KYTZZVQEEMVERR-OAHLLOKOSA-N 1 0 336.411 2.339 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000123135024 463319804 /nfs/dbraw/zinc/31/98/04/463319804.db2.gz OWFWQOPKOSSMRR-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169441 463488035 /nfs/dbraw/zinc/48/80/35/463488035.db2.gz ZBCZBYIZQWNGRS-NFFDBFGFSA-N 1 0 333.388 2.469 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000072608712 463525055 /nfs/dbraw/zinc/52/50/55/463525055.db2.gz RRYCJFFMFZPCHP-IRXDYDNUSA-N 1 0 330.388 2.283 20 5 EEBDRO CC[NH2+]CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000151422540 463529067 /nfs/dbraw/zinc/52/90/67/463529067.db2.gz PGMJTGNQAMJNNS-UHFFFAOYSA-N 1 0 334.420 2.170 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000151790649 463591597 /nfs/dbraw/zinc/59/15/97/463591597.db2.gz PBSTZYJYOPPWCH-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000109759334 463649969 /nfs/dbraw/zinc/64/99/69/463649969.db2.gz VUQWPZPQAUEMFQ-STQMWFEESA-N 1 0 334.294 2.361 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165923223 463650038 /nfs/dbraw/zinc/65/00/38/463650038.db2.gz VFPOHVJZTMWDGO-NSHDSACASA-N 1 0 330.182 2.070 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165923106 463650111 /nfs/dbraw/zinc/65/01/11/463650111.db2.gz VFPOHVJZTMWDGO-LLVKDONJSA-N 1 0 330.182 2.070 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000044583073 463684088 /nfs/dbraw/zinc/68/40/88/463684088.db2.gz FAGJSZBTFUHDDC-HUUCEWRRSA-N 1 0 349.431 2.458 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1(O)CCCC1 ZINC000152398144 463685049 /nfs/dbraw/zinc/68/50/49/463685049.db2.gz LZMTXQYYFOUKNR-UHFFFAOYSA-N 1 0 349.387 2.130 20 5 EEBDRO COC(=O)c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000276705228 463725601 /nfs/dbraw/zinc/72/56/01/463725601.db2.gz IQKOGPVDUSDXRI-AWEZNQCLSA-N 1 0 348.403 2.231 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000286977123 463760326 /nfs/dbraw/zinc/76/03/26/463760326.db2.gz GMBJLRIHOQXYCQ-CABCVRRESA-N 1 0 347.415 2.449 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178147522 463851972 /nfs/dbraw/zinc/85/19/72/463851972.db2.gz CTZRRNYEXJLRLO-HNNXBMFYSA-N 1 0 328.372 2.210 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269131790 463885497 /nfs/dbraw/zinc/88/54/97/463885497.db2.gz LYGZMGBPZLQFCH-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO CCOc1cc(C[N@H+](CCOCCO)C(C)C)ccc1[N+](=O)[O-] ZINC000283620861 463946982 /nfs/dbraw/zinc/94/69/82/463946982.db2.gz ANMXYGALHUGKSG-UHFFFAOYSA-N 1 0 326.393 2.213 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262106699 463948417 /nfs/dbraw/zinc/94/84/17/463948417.db2.gz ZTFPQJVMJACDHI-RKDXNWHRSA-N 1 0 331.294 2.423 20 5 EEBDRO C[C@H](CCC1CC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186290022 463969212 /nfs/dbraw/zinc/96/92/12/463969212.db2.gz SMOUNKQJGOJYBF-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000178993717 464032471 /nfs/dbraw/zinc/03/24/71/464032471.db2.gz GLLWYHPDPMBCBN-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262807514 464046844 /nfs/dbraw/zinc/04/68/44/464046844.db2.gz OLIMSXKUXJVGNL-PBHICJAKSA-N 1 0 349.434 2.269 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000179445077 464137768 /nfs/dbraw/zinc/13/77/68/464137768.db2.gz QUWNRWYYPPQXHB-AWEZNQCLSA-N 1 0 335.404 2.294 20 5 EEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180229450 464269258 /nfs/dbraw/zinc/26/92/58/464269258.db2.gz SJWXKZGCPIIXQV-UHFFFAOYSA-N 1 0 343.387 2.068 20 5 EEBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270915633 464270527 /nfs/dbraw/zinc/27/05/27/464270527.db2.gz OLAXLPNPMMMKMW-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000271358249 464293602 /nfs/dbraw/zinc/29/36/02/464293602.db2.gz QOKDFPSHQGHLPM-WBMJQRKESA-N 1 0 330.388 2.198 20 5 EEBDRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188846372 464380605 /nfs/dbraw/zinc/38/06/05/464380605.db2.gz ZJXYFGGBZCMVRZ-LRDDRELGSA-N 1 0 330.388 2.246 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000237847912 464389030 /nfs/dbraw/zinc/38/90/30/464389030.db2.gz GZKBZJNDFZRGQB-UHFFFAOYSA-N 1 0 332.404 2.090 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000271939925 464421182 /nfs/dbraw/zinc/42/11/82/464421182.db2.gz WPTQKNWHQSQOJJ-UHFFFAOYSA-N 1 0 326.356 2.135 20 5 EEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264776568 464461589 /nfs/dbraw/zinc/46/15/89/464461589.db2.gz PGMBKQJWIRIRFE-GFCCVEGCSA-N 1 0 337.424 2.257 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294331834 464468614 /nfs/dbraw/zinc/46/86/14/464468614.db2.gz OZYXKDHKFSCALC-ORQFMDKSSA-N 1 0 334.416 2.436 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000272299240 464555087 /nfs/dbraw/zinc/55/50/87/464555087.db2.gz QHUDPVONQMEAGT-QWHCGFSZSA-N 1 0 332.404 2.004 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182229250 464605450 /nfs/dbraw/zinc/60/54/50/464605450.db2.gz LPTBMOZGKOFWIZ-LBPRGKRZSA-N 1 0 349.387 2.127 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272498689 464633076 /nfs/dbraw/zinc/63/30/76/464633076.db2.gz NRLAFAVUILHAJP-SJKOYZFVSA-N 1 0 342.399 2.171 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000190563907 464677261 /nfs/dbraw/zinc/67/72/61/464677261.db2.gz NMOCBKVPZZRPAU-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247962853 464718005 /nfs/dbraw/zinc/71/80/05/464718005.db2.gz GKZZVHVYYXDBBW-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000176200198 464719150 /nfs/dbraw/zinc/71/91/50/464719150.db2.gz YZTVTFXQHJUINN-UHFFFAOYSA-N 1 0 330.388 2.473 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000176242676 464729473 /nfs/dbraw/zinc/72/94/73/464729473.db2.gz VSRSNTVBWKHYQF-MRXNPFEDSA-N 1 0 330.388 2.163 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@H]21 ZINC000286137025 464816154 /nfs/dbraw/zinc/81/61/54/464816154.db2.gz HRHIHNUZVPCZRG-XHDPSFHLSA-N 1 0 343.387 2.164 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183346676 464852047 /nfs/dbraw/zinc/85/20/47/464852047.db2.gz JIVNRTLLMHRMAX-LLVKDONJSA-N 1 0 331.376 2.316 20 5 EEBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958921 464884821 /nfs/dbraw/zinc/88/48/21/464884821.db2.gz XEBDVWYRURWUTD-HFTRVMKXSA-N 1 0 344.415 2.105 20 5 EEBDRO Cn1ccnc1[C@H]1N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821160 464976502 /nfs/dbraw/zinc/97/65/02/464976502.db2.gz GKYKJBMDFJCKOH-HUUCEWRRSA-N 1 0 330.388 2.445 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCN1CCC(O)CC1)CCC2 ZINC000192722225 464984365 /nfs/dbraw/zinc/98/43/65/464984365.db2.gz BVRLAFPXPVGUDE-GOSISDBHSA-N 1 0 333.432 2.409 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000282898843 464992837 /nfs/dbraw/zinc/99/28/37/464992837.db2.gz TYZBTBDMCQMBFS-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc([N+](=O)[O-])c1 ZINC000593912426 468430673 /nfs/dbraw/zinc/43/06/73/468430673.db2.gz NNZZGXDNQLFLNM-JLJPHGGASA-N 1 0 347.415 2.262 20 5 EEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356399895 465362115 /nfs/dbraw/zinc/36/21/15/465362115.db2.gz YXWBFUOHRXAWPU-UHFFFAOYSA-N 1 0 348.322 2.909 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(F)c1 ZINC000339759863 465493526 /nfs/dbraw/zinc/49/35/26/465493526.db2.gz JFFKXZVQDVIJRJ-HOTGVXAUSA-N 1 0 342.342 2.283 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000298912381 465540112 /nfs/dbraw/zinc/54/01/12/465540112.db2.gz DSQMMNSQQJRKEB-UONOGXRCSA-N 1 0 348.403 2.029 20 5 EEBDRO CCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ncc[nH]1 ZINC000348366820 465568896 /nfs/dbraw/zinc/56/88/96/465568896.db2.gz IYVYFCHDGNTBHI-INIZCTEOSA-N 1 0 329.404 2.239 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348519736 465648679 /nfs/dbraw/zinc/64/86/79/465648679.db2.gz FTRXESYJJLTTFE-NTZNESFSSA-N 1 0 346.330 2.084 20 5 EEBDRO CCc1n[nH]c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000357059005 465734239 /nfs/dbraw/zinc/73/42/39/465734239.db2.gz MRRSDPRBSGKOMT-UHFFFAOYSA-N 1 0 325.413 2.071 20 5 EEBDRO CN(C(=O)C[NH2+][C@](C)(CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348697246 465746320 /nfs/dbraw/zinc/74/63/20/465746320.db2.gz HXULPMPDHNJYKJ-GOSISDBHSA-N 1 0 349.431 2.479 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084349 465756274 /nfs/dbraw/zinc/75/62/74/465756274.db2.gz PVCCXLHRFUGZEC-JQWIXIFHSA-N 1 0 327.331 2.238 20 5 EEBDRO COc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000357141647 465807509 /nfs/dbraw/zinc/80/75/09/465807509.db2.gz IGIOMFUJJGWUIM-ZDUSSCGKSA-N 1 0 333.388 2.350 20 5 EEBDRO CNc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000361161282 465808363 /nfs/dbraw/zinc/80/83/63/465808363.db2.gz HYHHQWJJUQQOOU-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000340155576 465824153 /nfs/dbraw/zinc/82/41/53/465824153.db2.gz PHDFGQZRIYZQAP-UHFFFAOYSA-N 1 0 344.415 2.419 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000299627741 465832356 /nfs/dbraw/zinc/83/23/56/465832356.db2.gz XZLYVIPKGQMEFN-NSHDSACASA-N 1 0 335.364 2.032 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593999383 468456006 /nfs/dbraw/zinc/45/60/06/468456006.db2.gz PYNQODSMICHIJO-UHFFFAOYSA-N 1 0 325.384 2.059 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362738779 465990541 /nfs/dbraw/zinc/99/05/41/465990541.db2.gz XGXIATYTHQCYTC-LBPRGKRZSA-N 1 0 331.376 2.931 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362827222 466055815 /nfs/dbraw/zinc/05/58/15/466055815.db2.gz QDVVMGUVBQMDQM-UHFFFAOYSA-N 1 0 331.376 2.930 20 5 EEBDRO COc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340402041 466067205 /nfs/dbraw/zinc/06/72/05/466067205.db2.gz BDYDPIQVXVIBOC-KBPBESRZSA-N 1 0 331.376 2.468 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301959517 466068000 /nfs/dbraw/zinc/06/80/00/466068000.db2.gz HBZUKHONMHZGIV-UHFFFAOYSA-N 1 0 332.408 2.196 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439449 468469262 /nfs/dbraw/zinc/46/92/62/468469262.db2.gz VFKCAGJPHXCMBV-IAQYHMDHSA-N 1 0 328.372 2.340 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422188 466077638 /nfs/dbraw/zinc/07/76/38/466077638.db2.gz UNRMNWZYLLCSKS-BJOHPYRUSA-N 1 0 339.342 2.014 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000338428351 466119949 /nfs/dbraw/zinc/11/99/49/466119949.db2.gz YOCMMXYZONDTRT-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS(=O)(=O)[C@H]1C ZINC000353862283 466209142 /nfs/dbraw/zinc/20/91/42/466209142.db2.gz BWOFTQKSJJOUKX-MBNYWOFBSA-N 1 0 326.418 2.081 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000367271251 466231760 /nfs/dbraw/zinc/23/17/60/466231760.db2.gz OIHYTDHOXVGPRP-NSHDSACASA-N 1 0 349.416 2.265 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338610920 466260220 /nfs/dbraw/zinc/26/02/20/466260220.db2.gz AGQZRWZVWCDFGU-UHFFFAOYSA-N 1 0 331.294 2.439 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000332034082 466355896 /nfs/dbraw/zinc/35/58/96/466355896.db2.gz WOYFHPOWFRDHMU-HNNXBMFYSA-N 1 0 330.388 2.488 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852165 466384187 /nfs/dbraw/zinc/38/41/87/466384187.db2.gz PSDCCKXNSMSKFG-RVKKMQEKSA-N 1 0 347.415 2.493 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000358027433 466395391 /nfs/dbraw/zinc/39/53/91/466395391.db2.gz RLHQVZPDKSCICX-HIFRSBDPSA-N 1 0 341.433 2.060 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H](O)C1CC1 ZINC000305748365 466446452 /nfs/dbraw/zinc/44/64/52/466446452.db2.gz QJMXCDICYHNIBE-OTYXRUKQSA-N 1 0 341.795 2.278 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1C ZINC000332301798 466499004 /nfs/dbraw/zinc/49/90/04/466499004.db2.gz KTOJTYRZHFAXLJ-UONOGXRCSA-N 1 0 333.388 2.268 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000354354860 466500968 /nfs/dbraw/zinc/50/09/68/466500968.db2.gz RNPGPXVJUJACQE-TZMCWYRMSA-N 1 0 334.420 2.263 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000322579910 466633360 /nfs/dbraw/zinc/63/33/60/466633360.db2.gz RPPBVTNWXBQQRV-VXGBXAGGSA-N 1 0 339.417 2.037 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000324810322 466650003 /nfs/dbraw/zinc/65/00/03/466650003.db2.gz SDSHWXKVDCSCOE-CQSZACIVSA-N 1 0 332.404 2.337 20 5 EEBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000363914160 466652141 /nfs/dbraw/zinc/65/21/41/466652141.db2.gz VCYXNFNUXVHPQG-UHFFFAOYSA-N 1 0 327.388 2.406 20 5 EEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000413115485 467173088 /nfs/dbraw/zinc/17/30/88/467173088.db2.gz NTHPLVKMLWHXPJ-JTQLQIEISA-N 1 0 347.341 2.056 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000428123749 467205658 /nfs/dbraw/zinc/20/56/58/467205658.db2.gz XVGDBSCVNQJBJQ-DZGCQCFKSA-N 1 0 346.431 2.313 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413449398 467244973 /nfs/dbraw/zinc/24/49/73/467244973.db2.gz XLCUNUAWCCGYKY-SNVBAGLBSA-N 1 0 347.462 2.204 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429018805 467291807 /nfs/dbraw/zinc/29/18/07/467291807.db2.gz IAMCSJWRNGYNKZ-JKIFEVAISA-N 1 0 346.431 2.195 20 5 EEBDRO COc1ccc(NC(=O)CN2CCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000378432282 467299799 /nfs/dbraw/zinc/29/97/99/467299799.db2.gz HFOWRQUXUGIVHQ-CYBMUJFWSA-N 1 0 345.359 2.102 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCCSC1 ZINC000433209058 467307541 /nfs/dbraw/zinc/30/75/41/467307541.db2.gz PDYFXYHNKGOHHT-AWEZNQCLSA-N 1 0 326.418 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](CCCO)C3)n2)cc1 ZINC000452114762 467328733 /nfs/dbraw/zinc/32/87/33/467328733.db2.gz DYAYNIDKKFKDCC-LBPRGKRZSA-N 1 0 332.360 2.239 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3CCCC[N@@H+]3C3CC3)n2)cc1 ZINC000433810540 467354981 /nfs/dbraw/zinc/35/49/81/467354981.db2.gz KTZHBTSVDGAHJF-OAHLLOKOSA-N 1 0 343.387 3.074 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429770380 467368179 /nfs/dbraw/zinc/36/81/79/467368179.db2.gz UIBJFEBYIQTXQB-CABCVRRESA-N 1 0 344.371 2.254 20 5 EEBDRO COc1cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420376837 467385410 /nfs/dbraw/zinc/38/54/10/467385410.db2.gz AOOFCIAODBFQRG-ZJUUUORDSA-N 1 0 345.346 2.387 20 5 EEBDRO Cc1c(NC(=O)CCN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420381203 467386023 /nfs/dbraw/zinc/38/60/23/467386023.db2.gz ZAEHVLAUVVTJBI-XTQGRXLLSA-N 1 0 334.420 2.208 20 5 EEBDRO CNc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000434418924 467397249 /nfs/dbraw/zinc/39/72/49/467397249.db2.gz GXHYASLXZMDMOV-ZDUSSCGKSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1c(NC(=O)CCN(C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435243892 467454553 /nfs/dbraw/zinc/45/45/53/467454553.db2.gz AYADIZNMYGCIAQ-CQSZACIVSA-N 1 0 332.404 2.058 20 5 EEBDRO Cn1cc(CN2CCC[N@H+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435250866 467455101 /nfs/dbraw/zinc/45/51/01/467455101.db2.gz VAZFMBVJVFTOGZ-UHFFFAOYSA-N 1 0 329.404 2.133 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000453010457 467455786 /nfs/dbraw/zinc/45/57/86/467455786.db2.gz PVSHFGXKINBEED-RNCFNFMXSA-N 1 0 343.305 2.390 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000415120360 467494960 /nfs/dbraw/zinc/49/49/60/467494960.db2.gz GSHWHOPKPDFIOF-YOEHRIQHSA-N 1 0 337.395 2.452 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435836966 467497835 /nfs/dbraw/zinc/49/78/35/467497835.db2.gz RMRAJQWZPAECJM-UHFFFAOYSA-N 1 0 327.359 2.112 20 5 EEBDRO C[N@H+](CCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000454362083 467587959 /nfs/dbraw/zinc/58/79/59/467587959.db2.gz QVINGVIUVYKUTO-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[C@H](NC(=O)COC1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000449151174 467620930 /nfs/dbraw/zinc/62/09/30/467620930.db2.gz WJOLEWUSSXMMMV-BCLQGDPASA-N 1 0 335.404 2.449 20 5 EEBDRO C[C@H](CCCO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408477 467640821 /nfs/dbraw/zinc/64/08/21/467640821.db2.gz NZGGTATVLQDMKV-CZUORRHYSA-N 1 0 332.404 2.416 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449609915 467670799 /nfs/dbraw/zinc/67/07/99/467670799.db2.gz DLIAHSLAIFLBGH-KCJUWKMLSA-N 1 0 333.360 2.174 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449714895 467697912 /nfs/dbraw/zinc/69/79/12/467697912.db2.gz AKLQMBKFXDODCN-CMPLNLGQSA-N 1 0 341.795 2.261 20 5 EEBDRO CN(CC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000457040369 467737522 /nfs/dbraw/zinc/73/75/22/467737522.db2.gz FLZKWZNJWZLRGH-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1cc(OCC(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457171029 467770431 /nfs/dbraw/zinc/77/04/31/467770431.db2.gz RHZPEGIXNLVRQX-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000497203374 467882872 /nfs/dbraw/zinc/88/28/72/467882872.db2.gz RJYITOOIIURDOU-VXGBXAGGSA-N 1 0 334.376 2.481 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000514602160 467943160 /nfs/dbraw/zinc/94/31/60/467943160.db2.gz NFHUXGOQIXCQCT-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C/c2ccncc2)cc1 ZINC000487550667 468044843 /nfs/dbraw/zinc/04/48/43/468044843.db2.gz RNIDRNPTCCFLQC-OWOJBTEDSA-N 1 0 347.396 2.067 20 5 EEBDRO [NH3+]C1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCCCC1 ZINC000516916632 468055386 /nfs/dbraw/zinc/05/53/86/468055386.db2.gz DAGLPIJMYXABFT-UHFFFAOYSA-N 1 0 332.404 2.324 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000494456689 468057889 /nfs/dbraw/zinc/05/78/89/468057889.db2.gz XVYIDMAWJIODPY-BBRMVZONSA-N 1 0 347.371 2.050 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000591729064 468512266 /nfs/dbraw/zinc/51/22/66/468512266.db2.gz FZHDSNPAJCYREK-GDBMZVCRSA-N 1 0 328.368 2.264 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000597572336 468603546 /nfs/dbraw/zinc/60/35/46/468603546.db2.gz QGHZQYIBJQZUBZ-UHFFFAOYSA-N 1 0 343.305 2.391 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000594616436 468637844 /nfs/dbraw/zinc/63/78/44/468637844.db2.gz BTSZVVOEVPDPSS-HNNXBMFYSA-N 1 0 337.395 2.421 20 5 EEBDRO CCN(CC[NH3+])Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000600776124 468655265 /nfs/dbraw/zinc/65/52/65/468655265.db2.gz PEVPJWZWCRLFIR-UHFFFAOYSA-N 1 0 333.335 2.028 20 5 EEBDRO CN(C)CC[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600781471 468655847 /nfs/dbraw/zinc/65/58/47/468655847.db2.gz CGLVFXYCSXIFOB-UHFFFAOYSA-N 1 0 329.400 2.405 20 5 EEBDRO CC[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592332521 468678811 /nfs/dbraw/zinc/67/88/11/468678811.db2.gz ZOZUCEXRUJRVDH-CJNGLKHVSA-N 1 0 334.420 2.373 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597921948 468711929 /nfs/dbraw/zinc/71/19/29/468711929.db2.gz IGCUPGMLFLOXLT-JTQLQIEISA-N 1 0 339.367 2.345 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)c1ccco1 ZINC000595004541 468742139 /nfs/dbraw/zinc/74/21/39/468742139.db2.gz TYOAXQRLQGGHQQ-NSHDSACASA-N 1 0 333.344 2.277 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595451100 468857639 /nfs/dbraw/zinc/85/76/39/468857639.db2.gz RFARACAWLHSQNN-GOEBONIOSA-N 1 0 326.368 2.390 20 5 EEBDRO CC(C)(C)n1nnc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000595508497 468881861 /nfs/dbraw/zinc/88/18/61/468881861.db2.gz AWTQQKGUVNUSST-UHFFFAOYSA-N 1 0 332.408 2.404 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000598575766 468920508 /nfs/dbraw/zinc/92/05/08/468920508.db2.gz XEMLDMMWHSMXJT-GFCCVEGCSA-N 1 0 343.330 2.266 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595698628 468959306 /nfs/dbraw/zinc/95/93/06/468959306.db2.gz NGVOXNIUTXOCMR-UKRRQHHQSA-N 1 0 335.404 2.406 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595743891 468983399 /nfs/dbraw/zinc/98/33/99/468983399.db2.gz SCOIFVIJFOSYAT-BBRMVZONSA-N 1 0 347.415 2.483 20 5 EEBDRO COC(=O)c1cc(C)nc(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593517229 469011777 /nfs/dbraw/zinc/01/17/77/469011777.db2.gz QZEPPVOAJUCTBM-UHFFFAOYSA-N 1 0 336.392 2.007 20 5 EEBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602713841 469027166 /nfs/dbraw/zinc/02/71/66/469027166.db2.gz DRGNVWNNRBZKKZ-GFCCVEGCSA-N 1 0 331.294 2.324 20 5 EEBDRO CC(C)CC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602722832 469032197 /nfs/dbraw/zinc/03/21/97/469032197.db2.gz ICNYBYYEFDBREC-HNNXBMFYSA-N 1 0 336.436 2.345 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000602731746 469038419 /nfs/dbraw/zinc/03/84/19/469038419.db2.gz AYWYFHPUUQAFPV-LBPRGKRZSA-N 1 0 329.282 2.122 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610720676 469049144 /nfs/dbraw/zinc/04/91/44/469049144.db2.gz PBFIOTSGFNZYED-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000610719161 469049439 /nfs/dbraw/zinc/04/94/39/469049439.db2.gz DGQKIFBYSUESFV-AWEZNQCLSA-N 1 0 349.435 2.180 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000573094861 469059718 /nfs/dbraw/zinc/05/97/18/469059718.db2.gz MZARVAVUSGQILH-LLVKDONJSA-N 1 0 340.811 2.171 20 5 EEBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794311 469079260 /nfs/dbraw/zinc/07/92/60/469079260.db2.gz VIQHTVBGUBCCJP-BLLLJJGKSA-N 1 0 346.387 2.240 20 5 EEBDRO CCOC(=O)C[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602818953 469095050 /nfs/dbraw/zinc/09/50/50/469095050.db2.gz OTVVYZQBBBPKFV-OAHLLOKOSA-N 1 0 326.397 2.057 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000599072992 469107898 /nfs/dbraw/zinc/10/78/98/469107898.db2.gz NMTRTCZFMYZKOB-KCPJHIHWSA-N 1 0 341.433 2.106 20 5 EEBDRO Cc1cc(N[C@@H]2CCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601985815 469129317 /nfs/dbraw/zinc/12/93/17/469129317.db2.gz YWEWAMJKWSXZIE-CQSZACIVSA-N 1 0 327.388 2.336 20 5 EEBDRO Nc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000596054369 469130789 /nfs/dbraw/zinc/13/07/89/469130789.db2.gz RTBIZXZLZRJWJV-HNNXBMFYSA-N 1 0 327.388 2.821 20 5 EEBDRO O=c1[nH]ccc(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596080184 469144625 /nfs/dbraw/zinc/14/46/25/469144625.db2.gz ATFVXKLDCLHVHB-UHFFFAOYSA-N 1 0 329.360 2.167 20 5 EEBDRO O=C(c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596087088 469149355 /nfs/dbraw/zinc/14/93/55/469149355.db2.gz DHIRYSCHCZFOFY-CQSZACIVSA-N 1 0 344.415 2.479 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000588822970 469168541 /nfs/dbraw/zinc/16/85/41/469168541.db2.gz HMZAWVXZQPQADC-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)Cc1ccccc1)OCCO2 ZINC000588928027 469180558 /nfs/dbraw/zinc/18/05/58/469180558.db2.gz ZDIIQKHATGHCKN-OAHLLOKOSA-N 1 0 344.367 2.059 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000602950520 469186312 /nfs/dbraw/zinc/18/63/12/469186312.db2.gz FQENYEUYVXBFEX-UHFFFAOYSA-N 1 0 347.419 2.202 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205149 469191620 /nfs/dbraw/zinc/19/16/20/469191620.db2.gz JPINBAUHFJIUMO-XJKSGUPXSA-N 1 0 333.388 2.059 20 5 EEBDRO COc1cc(C[N@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000611269397 469214638 /nfs/dbraw/zinc/21/46/38/469214638.db2.gz GUJXNSCKATXFHX-UHFFFAOYSA-N 1 0 326.393 2.452 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000596253503 469222951 /nfs/dbraw/zinc/22/29/51/469222951.db2.gz UVOYYHBUNDRDOQ-UHFFFAOYSA-N 1 0 342.827 2.220 20 5 EEBDRO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596270355 469228693 /nfs/dbraw/zinc/22/86/93/469228693.db2.gz FLURXMLIGGXFIH-CYBMUJFWSA-N 1 0 328.372 2.406 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596336705 469246469 /nfs/dbraw/zinc/24/64/69/469246469.db2.gz RSONGVLDBOZOJG-NSHDSACASA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599477403 469269943 /nfs/dbraw/zinc/26/99/43/469269943.db2.gz HPHQCTPNQYJSCY-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596561499 469301299 /nfs/dbraw/zinc/30/12/99/469301299.db2.gz DOPKJTUZKSFXBQ-UHFFFAOYSA-N 1 0 346.431 2.488 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705623 469306688 /nfs/dbraw/zinc/30/66/88/469306688.db2.gz HHFJUNGFRPHAGR-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO CC1([NH3+])CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602485882 469336431 /nfs/dbraw/zinc/33/64/31/469336431.db2.gz AKHBJQBQLKKJKY-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO O=[N+]([O-])c1sc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000602493813 469340099 /nfs/dbraw/zinc/34/00/99/469340099.db2.gz LVDSNOGEEHKSPY-OCAPTIKFSA-N 1 0 332.223 2.070 20 5 EEBDRO Cc1nccn1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602517836 469346110 /nfs/dbraw/zinc/34/61/10/469346110.db2.gz JLJJBINLIZDCEJ-UHFFFAOYSA-N 1 0 344.419 2.143 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000602528659 469351085 /nfs/dbraw/zinc/35/10/85/469351085.db2.gz PAGKCLUJGJQXGV-INIZCTEOSA-N 1 0 332.404 2.239 20 5 EEBDRO C[NH+](C)[C@@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC000602563960 469362803 /nfs/dbraw/zinc/36/28/03/469362803.db2.gz JMRHENBXVCTBHO-OAHLLOKOSA-N 1 0 336.417 2.263 20 5 EEBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000602568231 469363775 /nfs/dbraw/zinc/36/37/75/469363775.db2.gz KAAFKHWMUMEEFJ-DZGCQCFKSA-N 1 0 345.447 2.173 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594204037 485602816 /nfs/dbraw/zinc/60/28/16/485602816.db2.gz WMXKGKQVJHIPQQ-CABCVRRESA-N 1 0 333.388 2.350 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000595830107 485610422 /nfs/dbraw/zinc/61/04/22/485610422.db2.gz AAPPFIVGHFRCOU-CQSZACIVSA-N 1 0 333.388 2.048 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598585888 485620045 /nfs/dbraw/zinc/62/00/45/485620045.db2.gz BDEIVWORHHKISG-CYBMUJFWSA-N 1 0 336.392 2.309 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602538259 485641450 /nfs/dbraw/zinc/64/14/50/485641450.db2.gz BUYAEGSNWDWTKO-BDAKNGLRSA-N 1 0 337.323 2.256 20 5 EEBDRO CCN(CC[NH3+])C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000602539967 485642934 /nfs/dbraw/zinc/64/29/34/485642934.db2.gz NPZAEDLXOWBYCL-OKILXGFUSA-N 1 0 348.447 2.498 20 5 EEBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419383980 485683244 /nfs/dbraw/zinc/68/32/44/485683244.db2.gz YVOASZFNCQAXIM-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181109543 534739490 /nfs/dbraw/zinc/73/94/90/534739490.db2.gz BPLYIEJGPPEDEI-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000174711999 528161208 /nfs/dbraw/zinc/16/12/08/528161208.db2.gz OTWDDUFIXJODJQ-UHFFFAOYSA-N 1 0 325.434 2.286 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180867116 528193898 /nfs/dbraw/zinc/19/38/98/528193898.db2.gz DYEVSLSHDYBENQ-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266648253 535096738 /nfs/dbraw/zinc/09/67/38/535096738.db2.gz XYGUCOYVJVQJPK-INIZCTEOSA-N 1 0 336.367 2.202 20 5 EEBDRO COc1ccc(-c2ccc(C[NH+]3CC(CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000459621854 536896401 /nfs/dbraw/zinc/89/64/01/536896401.db2.gz MEAMFADTIGCHFT-UHFFFAOYSA-N 1 0 345.355 2.171 20 5 EEBDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000730107174 576716115 /nfs/dbraw/zinc/71/61/15/576716115.db2.gz ZYWSZJRGULLLFL-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)sc2c1 ZINC000731209925 577086365 /nfs/dbraw/zinc/08/63/65/577086365.db2.gz FECKPYBFHIHZFR-KBPBESRZSA-N 1 0 348.428 2.240 20 5 EEBDRO CC[C@H](C)C[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732183406 577153996 /nfs/dbraw/zinc/15/39/96/577153996.db2.gz PBVVEWVGFWYLMR-LBPRGKRZSA-N 1 0 334.376 2.299 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000733168764 577206479 /nfs/dbraw/zinc/20/64/79/577206479.db2.gz WVJBBFOPXWBKKW-OAHLLOKOSA-N 1 0 334.420 2.485 20 5 EEBDRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588806 577463511 /nfs/dbraw/zinc/46/35/11/577463511.db2.gz BXKXWXWMFRUWIR-OSPHWJPCSA-N 1 0 348.424 2.498 20 5 EEBDRO CCCNC(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776592736 577463775 /nfs/dbraw/zinc/46/37/75/577463775.db2.gz YIDZAGBLJUCGNF-INIZCTEOSA-N 1 0 349.431 2.447 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000762815964 577708507 /nfs/dbraw/zinc/70/85/07/577708507.db2.gz RWAYRPJWBIERBG-UHFFFAOYSA-N 1 0 348.359 2.193 20 5 EEBDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754521381 577807783 /nfs/dbraw/zinc/80/77/83/577807783.db2.gz SGDYUHDUYBZOKH-CQSZACIVSA-N 1 0 349.387 2.163 20 5 EEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742309579 577870744 /nfs/dbraw/zinc/87/07/44/577870744.db2.gz POIUPWOWXYRQFU-KOLCDFICSA-N 1 0 347.824 2.009 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC4(C3)CCOCC4)n2)c1 ZINC000743405702 577884920 /nfs/dbraw/zinc/88/49/20/577884920.db2.gz OAAYTFNQNGCWRN-UHFFFAOYSA-N 1 0 343.387 2.313 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001021834277 676513635 /nfs/dbraw/zinc/51/36/35/676513635.db2.gz NIDJUDPCKBMGFB-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000891668393 676762969 /nfs/dbraw/zinc/76/29/69/676762969.db2.gz NFPAYDOMIFRBIW-GFCCVEGCSA-N 1 0 326.784 2.142 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC=CCC3)c2)CC1 ZINC000934046066 677768530 /nfs/dbraw/zinc/76/85/30/677768530.db2.gz XFVZBUTVWCNOFN-UHFFFAOYSA-N 1 0 345.403 2.140 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nccn3C3CC3)C2)nc1 ZINC000892078149 677977368 /nfs/dbraw/zinc/97/73/68/677977368.db2.gz IEQRJZWZEJZIHY-GFCCVEGCSA-N 1 0 328.376 2.208 20 5 EEBDRO CCc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022667064 678172452 /nfs/dbraw/zinc/17/24/52/678172452.db2.gz VQPBPHSRXJUOII-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)ccn1C ZINC001022671286 678181503 /nfs/dbraw/zinc/18/15/03/678181503.db2.gz NZKXTEAOSFSQSO-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000892536691 681621862 /nfs/dbraw/zinc/62/18/62/681621862.db2.gz IKOSBNPLGWYPFB-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707781 683042768 /nfs/dbraw/zinc/04/27/68/683042768.db2.gz PFJQBTMTGAZXJA-BFHYXJOUSA-N 1 0 336.388 2.434 20 5 EEBDRO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892902820 683181769 /nfs/dbraw/zinc/18/17/69/683181769.db2.gz UQXFDLKQZYEERJ-UONOGXRCSA-N 1 0 334.420 2.339 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000893452517 687662959 /nfs/dbraw/zinc/66/29/59/687662959.db2.gz LRHIMMDRORDPOJ-YUELXQCFSA-N 1 0 332.404 2.167 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC001059665542 687878606 /nfs/dbraw/zinc/87/86/06/687878606.db2.gz YWTLRSXWOMGTTI-IYBDPMFKSA-N 1 0 346.431 2.304 20 5 EEBDRO CC(F)(F)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989851748 692386958 /nfs/dbraw/zinc/38/69/58/692386958.db2.gz WFXUJOWEOYIGRA-UHFFFAOYSA-N 1 0 327.331 2.331 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001106993443 1191986845 /nfs/dbraw/zinc/98/68/45/1191986845.db2.gz PEHPPOGHLCWAMW-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034645275 1196466632 /nfs/dbraw/zinc/46/66/32/1196466632.db2.gz QYEGBRDRQLRZNQ-KCYZZUKISA-N 1 0 349.406 2.316 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794575245 1197936771 /nfs/dbraw/zinc/93/67/71/1197936771.db2.gz VICHXBRQOAGDAO-CMPLNLGQSA-N 1 0 341.795 2.327 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000872019121 1198026675 /nfs/dbraw/zinc/02/66/75/1198026675.db2.gz SXNUPNQSTMYBCN-GHMZBOCLSA-N 1 0 344.458 2.402 20 5 EEBDRO Cc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000873192454 1198525676 /nfs/dbraw/zinc/52/56/76/1198525676.db2.gz BTRCWYONKXPWLL-HZPDHXFCSA-N 1 0 336.413 2.457 20 5 EEBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001132728191 1199958302 /nfs/dbraw/zinc/95/83/02/1199958302.db2.gz LUDNRBOVWZVTNF-UHFFFAOYSA-N 1 0 330.388 2.244 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(Cl)cs1 ZINC001132873120 1200136571 /nfs/dbraw/zinc/13/65/71/1200136571.db2.gz XWEFGYCCPIZVNR-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1C1CC1 ZINC001132969250 1200237634 /nfs/dbraw/zinc/23/76/34/1200237634.db2.gz VEPBHPRJYIEPQW-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000866213737 1201467780 /nfs/dbraw/zinc/46/77/80/1201467780.db2.gz XCIWUDUQDWQJNZ-UHFFFAOYSA-N 1 0 336.411 2.259 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CCCO ZINC000866364145 1201500415 /nfs/dbraw/zinc/50/04/15/1201500415.db2.gz AWXFBVRNXBISKM-XJKSGUPXSA-N 1 0 339.411 2.101 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867703912 1201662128 /nfs/dbraw/zinc/66/21/28/1201662128.db2.gz TYOQBVMGJARKHS-UHFFFAOYSA-N 1 0 325.384 2.467 20 5 EEBDRO CC1CCN(Cc2cn(CCOc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000883994622 1202193115 /nfs/dbraw/zinc/19/31/15/1202193115.db2.gz GMRVLKTUNWMHAM-UHFFFAOYSA-N 1 0 345.403 2.497 20 5 EEBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCCC[NH+]1CCCCC1 ZINC000800136585 1202211610 /nfs/dbraw/zinc/21/16/10/1202211610.db2.gz UASYUIHRZPUEOP-UHFFFAOYSA-N 1 0 346.387 2.364 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095566795 1205876820 /nfs/dbraw/zinc/87/68/20/1205876820.db2.gz AAAXTRNYHZKERP-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCC1 ZINC000777798900 1206485494 /nfs/dbraw/zinc/48/54/94/1206485494.db2.gz HCJIPACJANRLHE-UHFFFAOYSA-N 1 0 349.416 2.204 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929618387 1206490302 /nfs/dbraw/zinc/49/03/02/1206490302.db2.gz PWGVUYWNFLYFCE-IRXDYDNUSA-N 1 0 329.400 2.441 20 5 EEBDRO C[C@H]1CC2(C[N@@H+]1CC[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000930762749 1206580838 /nfs/dbraw/zinc/58/08/38/1206580838.db2.gz JYLDIHXMORJEAG-ZDUSSCGKSA-N 1 0 327.425 2.375 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931651067 1207433359 /nfs/dbraw/zinc/43/33/59/1207433359.db2.gz DRRKLRXPMYGWHO-IXDOHACOSA-N 1 0 329.400 2.395 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000934439791 1207964211 /nfs/dbraw/zinc/96/42/11/1207964211.db2.gz ZFFSHMKFTDAACG-BHIYHBOVSA-N 1 0 342.395 2.164 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000076293428 1209160186 /nfs/dbraw/zinc/16/01/86/1209160186.db2.gz IAHULEDQAYYXSB-CQSZACIVSA-N 1 0 336.388 2.449 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000080791728 1211042873 /nfs/dbraw/zinc/04/28/73/1211042873.db2.gz VRYHAZMNMFXIHY-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001114823050 1215561951 /nfs/dbraw/zinc/56/19/51/1215561951.db2.gz UFHLCVMBRAUMNL-CTYIDZIISA-N 1 0 346.431 2.386 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000796315119 1215763003 /nfs/dbraw/zinc/76/30/03/1215763003.db2.gz DKOIXOVXKORAKX-LBPRGKRZSA-N 1 0 338.383 2.089 20 5 EEBDRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420405268 1217546322 /nfs/dbraw/zinc/54/63/22/1217546322.db2.gz PHYQEMQTVZVRDJ-HNNXBMFYSA-N 1 0 338.795 2.015 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)ns1 ZINC001020106713 1229487015 /nfs/dbraw/zinc/48/70/15/1229487015.db2.gz VAHCSIOQSNKZMX-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC1(NC(=O)c2cocn2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045381929 1233707860 /nfs/dbraw/zinc/70/78/60/1233707860.db2.gz UWLGGUGCVHPQSO-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCc2ccccc2)CC1 ZINC001045437707 1233745852 /nfs/dbraw/zinc/74/58/52/1233745852.db2.gz ZCUSXFYFYKGVDC-IAGOWNOFSA-N 1 0 345.443 2.255 20 5 EEBDRO CCOC(=O)[C@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000902421031 1237565712 /nfs/dbraw/zinc/56/57/12/1237565712.db2.gz MQFGNAHUUNTHMR-LBPRGKRZSA-N 1 0 332.360 2.095 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341985 1240274660 /nfs/dbraw/zinc/27/46/60/1240274660.db2.gz ABVHYUVQEGJHCO-ZIAGYGMSSA-N 1 0 337.420 2.365 20 5 EEBDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001050326130 1243352404 /nfs/dbraw/zinc/35/24/04/1243352404.db2.gz SMKVFDLXJWTCSF-VDHUWJSZSA-N 1 0 345.443 2.425 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001097037268 1243603444 /nfs/dbraw/zinc/60/34/44/1243603444.db2.gz KTRDCQCWAOKLPN-SHTZXODSSA-N 1 0 334.420 2.303 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001097111473 1243716630 /nfs/dbraw/zinc/71/66/30/1243716630.db2.gz UPUSIRUCVFIZMH-HDJSIYSDSA-N 1 0 346.431 2.447 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097211949 1243832424 /nfs/dbraw/zinc/83/24/24/1243832424.db2.gz JIIWVMIQKRVCME-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101367225 1245724149 /nfs/dbraw/zinc/72/41/49/1245724149.db2.gz JWEDHOUBPKSPBL-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001101954590 1246268381 /nfs/dbraw/zinc/26/83/81/1246268381.db2.gz RQYIRAOKIDMEBD-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1F ZINC000826868819 1248099530 /nfs/dbraw/zinc/09/95/30/1248099530.db2.gz XBTHBLOFCCKCIF-LLVKDONJSA-N 1 0 339.342 2.396 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1F ZINC000826868821 1248099561 /nfs/dbraw/zinc/09/95/61/1248099561.db2.gz XBTHBLOFCCKCIF-NSHDSACASA-N 1 0 339.342 2.396 20 5 EEBDRO CSCC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000815626721 1278154412 /nfs/dbraw/zinc/15/44/12/1278154412.db2.gz KNHYSONSCLSMCJ-MFKMUULPSA-N 1 0 340.449 2.038 20 5 EEBDRO C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000857767991 1293911228 /nfs/dbraw/zinc/91/12/28/1293911228.db2.gz JNEGYUMIAVEOQM-MNOVXSKESA-N 1 0 343.330 2.010 20 5 EEBDRO CO[C@]1(C)CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794654896 1296511251 /nfs/dbraw/zinc/51/12/51/1296511251.db2.gz JLZCJQHXPJXOAT-MRXNPFEDSA-N 1 0 331.376 2.312 20 5 EEBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001217963306 1297539223 /nfs/dbraw/zinc/53/92/23/1297539223.db2.gz UFWSLGFNYOAJGB-SECBINFHSA-N 1 0 348.140 2.330 20 5 EEBDRO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217978834 1297539982 /nfs/dbraw/zinc/53/99/82/1297539982.db2.gz RHQWDUJWTPHMMD-SMDDNHRTSA-N 1 0 326.324 2.240 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217977308 1297540645 /nfs/dbraw/zinc/54/06/45/1297540645.db2.gz AGKVZMDUFZZLJT-BXUZGUMPSA-N 1 0 326.324 2.159 20 5 EEBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001217994310 1297544177 /nfs/dbraw/zinc/54/41/77/1297544177.db2.gz ZEUFSZADYOZTAV-APPZFPTMSA-N 1 0 335.282 2.481 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CN4C[C@H]3[NH2+]CC4)cc2)c1 ZINC001218110743 1297576956 /nfs/dbraw/zinc/57/69/56/1297576956.db2.gz MGWULAPGVDZSGT-QZTJIDSGSA-N 1 0 325.368 2.297 20 5 EEBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1CC[NH2+]C1 ZINC001218180708 1297592410 /nfs/dbraw/zinc/59/24/10/1297592410.db2.gz BIONSKFBPFWDBC-NSHDSACASA-N 1 0 335.363 2.188 20 5 EEBDRO COc1c(O)cc(O[C@H]2CC[NH2+]C2)c2c(=O)c3ccccc3n(C)c12 ZINC001218183835 1297593874 /nfs/dbraw/zinc/59/38/74/1297593874.db2.gz UQNMRXFOIQCPBN-NSHDSACASA-N 1 0 340.379 2.147 20 5 EEBDRO CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001102017294 1300147425 /nfs/dbraw/zinc/14/74/25/1300147425.db2.gz PYAGHZIPUSXFIQ-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO COC(=O)[C@@H](OC1CC[NH+](CCF)CC1)c1ccccc1[N+](=O)[O-] ZINC001223644542 1300207884 /nfs/dbraw/zinc/20/78/84/1300207884.db2.gz VTYOYUOCGMPDSR-HNNXBMFYSA-N 1 0 340.351 2.259 20 5 EEBDRO O=C(COC1CC[NH+](C2CC2)CC1)OCc1ccc([N+](=O)[O-])cc1 ZINC001224986002 1300809070 /nfs/dbraw/zinc/80/90/70/1300809070.db2.gz BXYNLCJEWHHAIK-UHFFFAOYSA-N 1 0 334.372 2.281 20 5 EEBDRO COCC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228294363 1302193298 /nfs/dbraw/zinc/19/32/98/1302193298.db2.gz XSRYFZHOLPGOEO-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO Cc1cc(NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001112360351 1304491885 /nfs/dbraw/zinc/49/18/85/1304491885.db2.gz OPBDPNXNVOETCD-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc(Br)c(F)nc21 ZINC001234552040 1304964373 /nfs/dbraw/zinc/96/43/73/1304964373.db2.gz CYEDGRCFUILARV-MRVPVSSYSA-N 1 0 344.208 2.400 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001149084090 1308980656 /nfs/dbraw/zinc/98/06/56/1308980656.db2.gz WLDIZWPVCNVNND-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C1 ZINC001121296085 1309972330 /nfs/dbraw/zinc/97/23/30/1309972330.db2.gz DQEIFVWHEQYOIB-LBPRGKRZSA-N 1 0 348.407 2.151 20 5 EEBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001160760404 1320259745 /nfs/dbraw/zinc/25/97/45/1320259745.db2.gz ZQJDPTMXZOMBDM-UHFFFAOYSA-N 1 0 333.735 2.449 20 5 EEBDRO Cc1nc(NC2(Cc3ccccn3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161491250 1320516596 /nfs/dbraw/zinc/51/65/96/1320516596.db2.gz IJYJCKYZIMBBTA-UHFFFAOYSA-N 1 0 327.388 2.470 20 5 EEBDRO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843094246 1315840447 /nfs/dbraw/zinc/84/04/47/1315840447.db2.gz JXHXTSUETHDOEQ-MAUKXSAKSA-N 1 0 346.383 2.003 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109628 1315845001 /nfs/dbraw/zinc/84/50/01/1315845001.db2.gz WJSHMIKLUCIEDR-SJORKVTESA-N 1 0 345.399 2.373 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000843347600 1315895879 /nfs/dbraw/zinc/89/58/79/1315895879.db2.gz XIFVAJFTPBVTIX-PELKAZGASA-N 1 0 329.759 2.126 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251758764 1317499772 /nfs/dbraw/zinc/49/97/72/1317499772.db2.gz ZFIRTEIREPEPKU-UONOGXRCSA-N 1 0 335.404 2.135 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC001155596359 1317666925 /nfs/dbraw/zinc/66/69/25/1317666925.db2.gz HZSFQMLNRQRJCJ-BDJLRTHQSA-N 1 0 331.376 2.042 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001253653244 1317905394 /nfs/dbraw/zinc/90/53/94/1317905394.db2.gz BCRRDIVNUAZCOM-AWEZNQCLSA-N 1 0 346.431 2.440 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC001254474088 1318082661 /nfs/dbraw/zinc/08/26/61/1318082661.db2.gz LNJZWPXUKZZGQM-SFHVURJKSA-N 1 0 347.415 2.055 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001254543185 1318115341 /nfs/dbraw/zinc/11/53/41/1318115341.db2.gz CIFPSYPYUKZMAU-LBPRGKRZSA-N 1 0 326.418 2.083 20 5 EEBDRO COC(=O)c1cccnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542430 1318115839 /nfs/dbraw/zinc/11/58/39/1318115839.db2.gz NFCXSXUZVIHZLD-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC2=O)CC1 ZINC001254560404 1318120979 /nfs/dbraw/zinc/12/09/79/1318120979.db2.gz RUNCLNREODCLKZ-CYBMUJFWSA-N 1 0 333.388 2.442 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001254559902 1318121304 /nfs/dbraw/zinc/12/13/04/1318121304.db2.gz OLBJPCGHRVCPHB-CYBMUJFWSA-N 1 0 345.399 2.045 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001254570119 1318124172 /nfs/dbraw/zinc/12/41/72/1318124172.db2.gz MYINMTSYFYFDSW-HIFRSBDPSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(Cc3cccnc3)C1)C2 ZINC001254584004 1318133127 /nfs/dbraw/zinc/13/31/27/1318133127.db2.gz FRUGHEIATIAUDE-ROUUACIJSA-N 1 0 338.411 2.321 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606306 1318142077 /nfs/dbraw/zinc/14/20/77/1318142077.db2.gz GHEJXIRJLFBXNR-QZTJIDSGSA-N 1 0 333.432 2.105 20 5 EEBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001156724694 1318182249 /nfs/dbraw/zinc/18/22/49/1318182249.db2.gz GUMJSDZBFIMLQD-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO COC1(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001157160500 1318448922 /nfs/dbraw/zinc/44/89/22/1318448922.db2.gz JTCMZGAQAPXYTJ-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H](CO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083326 1318642869 /nfs/dbraw/zinc/64/28/69/1318642869.db2.gz RQSPFAVAJDOYDW-HNNXBMFYSA-N 1 0 337.420 2.179 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCC3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256088027 1318645236 /nfs/dbraw/zinc/64/52/36/1318645236.db2.gz VINWLVPJYWTAMS-UHFFFAOYSA-N 1 0 335.404 2.198 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)cc2C1 ZINC001157987867 1318960896 /nfs/dbraw/zinc/96/08/96/1318960896.db2.gz RVWCLEPRVMSAQZ-VIFPVBQESA-N 1 0 344.762 2.193 20 5 EEBDRO CC(C)n1nccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001158864378 1319476032 /nfs/dbraw/zinc/47/60/32/1319476032.db2.gz SJCOFGHALXVXJT-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO COCCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159573029 1319897547 /nfs/dbraw/zinc/89/75/47/1319897547.db2.gz PRMJTUQZEBVNHQ-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001160198710 1320096686 /nfs/dbraw/zinc/09/66/86/1320096686.db2.gz HGAVNIGLQYQFSV-GFCCVEGCSA-N 1 0 337.339 2.396 20 5 EEBDRO Cc1nc(Cl)nc(-n2nc(-c3ccncc3)cc2C[NH3+])c1[N+](=O)[O-] ZINC001160337748 1320138101 /nfs/dbraw/zinc/13/81/01/1320138101.db2.gz KIGVQQHONDTSLE-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO Cc1nc(Cl)nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160735050 1320253871 /nfs/dbraw/zinc/25/38/71/1320253871.db2.gz BWTKMBNIPSESEH-RQJHMYQMSA-N 1 0 339.705 2.299 20 5 EEBDRO CCOc1nc(N2CCC([NH3+])(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001161582846 1320547089 /nfs/dbraw/zinc/54/70/89/1320547089.db2.gz ZASQQGBJPBYEBF-UHFFFAOYSA-N 1 0 343.387 2.238 20 5 EEBDRO COC(=O)c1cnc(N(CC[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001161877223 1320657796 /nfs/dbraw/zinc/65/77/96/1320657796.db2.gz BSLFCCWJINXLAR-UHFFFAOYSA-N 1 0 334.307 2.012 20 5 EEBDRO COc1nc(-n2c3ccccc3nc2[C@@H](C)[NH3+])nc(C)c1[N+](=O)[O-] ZINC001162759340 1320951789 /nfs/dbraw/zinc/95/17/89/1320951789.db2.gz QTTADVHJBDZZCR-MRVPVSSYSA-N 1 0 328.332 2.060 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162792537 1320960007 /nfs/dbraw/zinc/96/00/07/1320960007.db2.gz HUJYKLPLOJZDOV-INTQDDNPSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1COCCC12C[NH2+]C2 ZINC001163069620 1321028101 /nfs/dbraw/zinc/02/81/01/1321028101.db2.gz PGVQXRMMFZSGRZ-AWEZNQCLSA-N 1 0 332.335 2.073 20 5 EEBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163285852 1321087861 /nfs/dbraw/zinc/08/78/61/1321087861.db2.gz WWUCLMKGLFYEKH-BONVTDFDSA-N 1 0 327.331 2.444 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCCC[C@@]23C[NH2+]CCO3)s1 ZINC001163644950 1321179558 /nfs/dbraw/zinc/17/95/58/1321179558.db2.gz OOTTWLUCMBVIAN-XHDPSFHLSA-N 1 0 349.416 2.313 20 5 EEBDRO O=C(CCc1ccccn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163816195 1321224578 /nfs/dbraw/zinc/22/45/78/1321224578.db2.gz MWHGBKQUQIEGAL-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2CF)CC1 ZINC001165432929 1321525736 /nfs/dbraw/zinc/52/57/36/1321525736.db2.gz VFTKQCZFTHQCOS-ZYHUDNBSSA-N 1 0 331.351 2.051 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](CCCCO)CC3)ccnc21 ZINC001261233367 1322048330 /nfs/dbraw/zinc/04/83/30/1322048330.db2.gz PHKLAUCPYMQNHF-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263239524 1322447354 /nfs/dbraw/zinc/44/73/54/1322447354.db2.gz OAQHGZKJUMCSPY-WNRNVDISSA-N 1 0 337.379 2.439 20 5 EEBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001263712185 1322506432 /nfs/dbraw/zinc/50/64/32/1322506432.db2.gz XOOHHZKEMQRRTF-KMFMINBZSA-N 1 0 331.416 2.374 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001307144884 1331510821 /nfs/dbraw/zinc/51/08/21/1331510821.db2.gz IKFANBUGOAIPTL-ZBFHGGJFSA-N 1 0 327.388 2.039 20 5 EEBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccn1 ZINC001308346530 1331584893 /nfs/dbraw/zinc/58/48/93/1331584893.db2.gz ZBKFQNKFAHPYOV-QGZVFWFLSA-N 1 0 340.383 2.271 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001318413647 1332528477 /nfs/dbraw/zinc/52/84/77/1332528477.db2.gz NETSRQNTAKOVIZ-ZFWWWQNUSA-N 1 0 339.367 2.102 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001319499123 1332711985 /nfs/dbraw/zinc/71/19/85/1332711985.db2.gz CUEJDTUUDJPREY-ZDUSSCGKSA-N 1 0 332.404 2.350 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001321004329 1332996354 /nfs/dbraw/zinc/99/63/54/1332996354.db2.gz JVAYILYYTFWXLS-OAHLLOKOSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001323138391 1333394105 /nfs/dbraw/zinc/39/41/05/1333394105.db2.gz SIQPZASNNOSKJO-UHFFFAOYSA-N 1 0 334.420 2.379 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001324553932 1333707977 /nfs/dbraw/zinc/70/79/77/1333707977.db2.gz YDCYPGLSVLJKTL-UHFFFAOYSA-N 1 0 344.415 2.492 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001325962291 1334007603 /nfs/dbraw/zinc/00/76/03/1334007603.db2.gz XTSOMKMRLAFUBM-HNNXBMFYSA-N 1 0 332.404 2.241 20 5 EEBDRO Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409283 1351964738 /nfs/dbraw/zinc/96/47/38/1351964738.db2.gz FZKOJXOAVXXQFN-LBPRGKRZSA-N 1 0 345.407 2.370 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC3(C)CC3)c2)CC1 ZINC001339185436 1336972134 /nfs/dbraw/zinc/97/21/34/1336972134.db2.gz UMRUEXJGNIGCAU-UHFFFAOYSA-N 1 0 332.404 2.475 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001350962982 1337777412 /nfs/dbraw/zinc/77/74/12/1337777412.db2.gz XIQOACTWOJXFPI-UHFFFAOYSA-N 1 0 347.423 2.029 20 5 EEBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001575670809 1343851384 /nfs/dbraw/zinc/85/13/84/1343851384.db2.gz OOUOMUKLLSOQEM-IUODEOHRSA-N 1 0 344.419 2.293 20 5 EEBDRO CC[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC001577279663 1344119490 /nfs/dbraw/zinc/11/94/90/1344119490.db2.gz NIVRPEVLSQMRCC-YPMHNXCESA-N 1 0 330.388 2.010 20 5 EEBDRO O=C(NCCCCCC1CC[NH2+]CC1)Nc1ccncc1[N+](=O)[O-] ZINC001580680544 1344550140 /nfs/dbraw/zinc/55/01/40/1344550140.db2.gz UVZSCHAILPCAGE-UHFFFAOYSA-N 1 0 335.408 2.093 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590410527 1349311183 /nfs/dbraw/zinc/31/11/83/1349311183.db2.gz QUXXDSMSVDQXES-LLVKDONJSA-N 1 0 333.396 2.226 20 5 EEBDRO CC[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001590445492 1349327358 /nfs/dbraw/zinc/32/73/58/1349327358.db2.gz BRUILMRCPLSYTQ-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603078532 1350636135 /nfs/dbraw/zinc/63/61/35/1350636135.db2.gz ZNGYEDDDPMZCOA-LLVKDONJSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605734628 1351220012 /nfs/dbraw/zinc/22/00/12/1351220012.db2.gz HTZZSOBGSFDBBU-LBPRGKRZSA-N 1 0 345.407 2.370 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000815641289 1368054353 /nfs/dbraw/zinc/05/43/53/1368054353.db2.gz UTSHAYPRXGHEMK-LBPRGKRZSA-N 1 0 333.392 2.405 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H](C2CCOCC2)C1 ZINC000794636669 1369591842 /nfs/dbraw/zinc/59/18/42/1369591842.db2.gz LYIXFMYTBPJZMA-CYBMUJFWSA-N 1 0 347.371 2.209 20 5 EEBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111901860 1371293795 /nfs/dbraw/zinc/29/37/95/1371293795.db2.gz CCRKVNCGFJKYAO-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@H](c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123508537 1372148926 /nfs/dbraw/zinc/14/89/26/1372148926.db2.gz JAAPKSATBANKTF-HIFRSBDPSA-N 1 0 348.451 2.090 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837171429 1372772136 /nfs/dbraw/zinc/77/21/36/1372772136.db2.gz BCGJRFNBPLJYHN-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO C[C@@H](C(=O)N(CCC[NH3+])CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001575049034 1403532469 /nfs/dbraw/zinc/53/24/69/1403532469.db2.gz MQDHNEYHUWDEIZ-SNVBAGLBSA-N 1 0 333.310 2.438 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001576480713 1403577753 /nfs/dbraw/zinc/57/77/53/1403577753.db2.gz NLTDNZBXYFUWIB-CQSZACIVSA-N 1 0 342.399 2.448 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)n2)c1 ZINC000246255162 1405713323 /nfs/dbraw/zinc/71/33/23/1405713323.db2.gz ITCCHJUAZZPJOX-GOEBONIOSA-N 1 0 343.387 2.312 20 5 EEBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccc([N+](=O)[O-])cc1F ZINC001100607107 1410679963 /nfs/dbraw/zinc/67/99/63/1410679963.db2.gz LPAHKEXMWXNWOG-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104397020 760148880 /nfs/dbraw/zinc/14/88/80/760148880.db2.gz TZBCAAHBEHMGQK-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000780866705 760670344 /nfs/dbraw/zinc/67/03/44/760670344.db2.gz KVYLOQJMBWCWDT-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001104425244 760689823 /nfs/dbraw/zinc/68/98/23/760689823.db2.gz WAPANBQFFFKLFG-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000894061155 780480888 /nfs/dbraw/zinc/48/08/88/780480888.db2.gz FJJNOIDSCIWANN-CYBMUJFWSA-N 1 0 346.387 2.422 20 5 EEBDRO Cc1cc(N(C)CCCN(C)C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001112164337 781805811 /nfs/dbraw/zinc/80/58/11/781805811.db2.gz DMSDSGJLYCFHFU-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000817289672 784632595 /nfs/dbraw/zinc/63/25/95/784632595.db2.gz BOKQPLMVPUIUSJ-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818291447 785237254 /nfs/dbraw/zinc/23/72/54/785237254.db2.gz WCIBIGXGOZTVKA-NSHDSACASA-N 1 0 348.359 2.107 20 5 EEBDRO COc1c(C)cnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000818989141 785354369 /nfs/dbraw/zinc/35/43/69/785354369.db2.gz ZHLDQJATZHZMKZ-INIZCTEOSA-N 1 0 331.372 2.438 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000818967943 785363993 /nfs/dbraw/zinc/36/39/93/785363993.db2.gz GIHVOLMNSSAHSC-INIZCTEOSA-N 1 0 335.404 2.057 20 5 EEBDRO CCOC(=O)C1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818972574 785367016 /nfs/dbraw/zinc/36/70/16/785367016.db2.gz LJOOCASOFQEYFC-PXCJXSSVSA-N 1 0 336.388 2.340 20 5 EEBDRO O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000819062382 785407883 /nfs/dbraw/zinc/40/78/83/785407883.db2.gz YMUREQGWSQYJGD-INIZCTEOSA-N 1 0 329.356 2.007 20 5 EEBDRO CS[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819112474 785430670 /nfs/dbraw/zinc/43/06/70/785430670.db2.gz DXXRMOHAAKYBPF-YPMHNXCESA-N 1 0 344.458 2.242 20 5 EEBDRO Cc1cccn2cc(CC[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)nc12 ZINC000819127753 785434572 /nfs/dbraw/zinc/43/45/72/785434572.db2.gz XOZDQUYCHFMULT-QGZVFWFLSA-N 1 0 340.383 2.417 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173263 785447664 /nfs/dbraw/zinc/44/76/64/785447664.db2.gz LMWCUQAGIKIKHD-PBHICJAKSA-N 1 0 347.415 2.151 20 5 EEBDRO Cn1nc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000819241255 785464819 /nfs/dbraw/zinc/46/48/19/785464819.db2.gz MKQCLRWBHAUKBX-GOSISDBHSA-N 1 0 340.383 2.347 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000819339782 785513664 /nfs/dbraw/zinc/51/36/64/785513664.db2.gz PKMSQXGNRNJISL-QZTJIDSGSA-N 1 0 330.384 2.476 20 5 EEBDRO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429909 786397254 /nfs/dbraw/zinc/39/72/54/786397254.db2.gz WUOCWEUPAKDDPX-NVXWUHKLSA-N 1 0 331.416 2.049 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107232570 786546234 /nfs/dbraw/zinc/54/62/34/786546234.db2.gz CASXANYLHZUPQI-PLNGDYQASA-N 1 0 338.383 2.158 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107321321 786859716 /nfs/dbraw/zinc/85/97/16/786859716.db2.gz DHAARCXGBBXCNB-WAYWQWQTSA-N 1 0 334.420 2.329 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000821895343 786937311 /nfs/dbraw/zinc/93/73/11/786937311.db2.gz UCKFWTFXCBROFE-UHFFFAOYSA-N 1 0 337.420 2.300 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911876055 787786941 /nfs/dbraw/zinc/78/69/41/787786941.db2.gz WJRYFOHAICMZJA-IAGOWNOFSA-N 1 0 347.415 2.055 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912811343 788382005 /nfs/dbraw/zinc/38/20/05/788382005.db2.gz IFRNLCSAYJOVGW-TZMCWYRMSA-N 1 0 334.420 2.369 20 5 EEBDRO [NH3+]CC[C@@H]1CN(c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001168545528 789102710 /nfs/dbraw/zinc/10/27/10/789102710.db2.gz POCVNBOIAYUOII-SNVBAGLBSA-N 1 0 334.763 2.466 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457111 789113779 /nfs/dbraw/zinc/11/37/79/789113779.db2.gz VPEDQZAGOHGOSG-TXEJJXNPSA-N 1 0 325.315 2.429 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000165971978 789595608 /nfs/dbraw/zinc/59/56/08/789595608.db2.gz RQMNKLQVZJQHQN-PELKAZGASA-N 1 0 342.193 2.167 20 5 EEBDRO CSCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997514451 790127674 /nfs/dbraw/zinc/12/76/74/790127674.db2.gz YSVFNWLFDMPCGC-UHFFFAOYSA-N 1 0 337.445 2.286 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000173449539 791857062 /nfs/dbraw/zinc/85/70/62/791857062.db2.gz GTGGHDVXTKWEKJ-ZDUSSCGKSA-N 1 0 348.403 2.124 20 5 EEBDRO CN(C)c1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001148948889 792803129 /nfs/dbraw/zinc/80/31/29/792803129.db2.gz SNCARJWXPPFROB-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901011 797129832 /nfs/dbraw/zinc/12/98/32/797129832.db2.gz FLYOMDVLMJIVNR-PBHICJAKSA-N 1 0 333.432 2.153 20 5 EEBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913942 797148384 /nfs/dbraw/zinc/14/83/84/797148384.db2.gz WEHNPDLQWFQVAW-RDJZCZTQSA-N 1 0 348.399 2.106 20 5 EEBDRO O=C1NC[C@@]2(CCC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172922498 797153560 /nfs/dbraw/zinc/15/35/60/797153560.db2.gz YGTWFGAHXXOYFR-MAUKXSAKSA-N 1 0 345.399 2.417 20 5 EEBDRO CC(=O)N1CCC2(C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C1 ZINC001172911313 797170136 /nfs/dbraw/zinc/17/01/36/797170136.db2.gz SEUXQIQFJRMECZ-QGZVFWFLSA-N 1 0 343.427 2.396 20 5 EEBDRO CC(C)(O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005815 797194181 /nfs/dbraw/zinc/19/41/81/797194181.db2.gz KLQXOHDHTYRMCL-UHFFFAOYSA-N 1 0 329.347 2.202 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(C)OCCO2)c1F ZINC001173180279 797278996 /nfs/dbraw/zinc/27/89/96/797278996.db2.gz UKYPKIJQJLZQGN-SNVBAGLBSA-N 1 0 328.340 2.026 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@](C)(CO)C2)c1F ZINC001173181758 797279420 /nfs/dbraw/zinc/27/94/20/797279420.db2.gz PNZVMBZHNCAZPM-BZNIZROVSA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2COC(C)(C)OC2)c1F ZINC001173188967 797281261 /nfs/dbraw/zinc/28/12/61/797281261.db2.gz MOWGJKSMMSGYBV-JTQLQIEISA-N 1 0 342.367 2.415 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC001110169380 797377806 /nfs/dbraw/zinc/37/78/06/797377806.db2.gz PEUWACRZAIUTJW-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC000916967666 798003440 /nfs/dbraw/zinc/00/34/40/798003440.db2.gz UJSISICWUXFHTI-CABCVRRESA-N 1 0 338.310 2.230 20 5 EEBDRO CCc1onc(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175777686 798230647 /nfs/dbraw/zinc/23/06/47/798230647.db2.gz VIAFUYYWQKPFJS-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000786818158 806913276 /nfs/dbraw/zinc/91/32/76/806913276.db2.gz JXTRHJWEOGFISP-GHXNOFRVSA-N 1 0 331.332 2.393 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1 ZINC000946589367 801543942 /nfs/dbraw/zinc/54/39/42/801543942.db2.gz VSCAWJTXGHVUPL-QKPAOTATSA-N 1 0 349.456 2.084 20 5 EEBDRO Cc1conc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086247233 802595502 /nfs/dbraw/zinc/59/55/02/802595502.db2.gz HROCXCKKKJHGMF-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363515 802829506 /nfs/dbraw/zinc/82/95/06/802829506.db2.gz YXCOFJZEJBZXHO-KLHDSHLOSA-N 1 0 335.448 2.106 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168963170 803551536 /nfs/dbraw/zinc/55/15/36/803551536.db2.gz OKLBANVPSKVQCU-OLZOCXBDSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)C1 ZINC001168998044 803563848 /nfs/dbraw/zinc/56/38/48/803563848.db2.gz HQMDFEONNVEAGC-KGLIPLIRSA-N 1 0 335.404 2.174 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)C1 ZINC001169037201 803580878 /nfs/dbraw/zinc/58/08/78/803580878.db2.gz RCAYFFBESWBSJF-UONOGXRCSA-N 1 0 329.404 2.064 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3nccc4occc43)CC2)C1 ZINC001169038351 803582049 /nfs/dbraw/zinc/58/20/49/803582049.db2.gz YHGBGVAUJOIEQR-KGLIPLIRSA-N 1 0 330.388 2.395 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169040258 803583554 /nfs/dbraw/zinc/58/35/54/803583554.db2.gz ZCEUWWBQUIADJI-BBRMVZONSA-N 1 0 329.404 2.064 20 5 EEBDRO COc1ccc(CN2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022456 803589064 /nfs/dbraw/zinc/58/90/64/803589064.db2.gz BSEJHXABJPSRLJ-IAGOWNOFSA-N 1 0 333.432 2.258 20 5 EEBDRO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050676 803595320 /nfs/dbraw/zinc/59/53/20/803595320.db2.gz CHKJLXNOUAFIKA-QLFBSQMISA-N 1 0 335.404 2.379 20 5 EEBDRO COc1nc(SC)nc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001169712066 803984414 /nfs/dbraw/zinc/98/44/14/803984414.db2.gz WGCMEBKBTVJSRH-UHFFFAOYSA-N 1 0 329.426 2.258 20 5 EEBDRO CCOC(=O)c1cccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)n1 ZINC001169874656 804174303 /nfs/dbraw/zinc/17/43/03/804174303.db2.gz BMXAHLWQQVVWGI-UHFFFAOYSA-N 1 0 342.355 2.382 20 5 EEBDRO CC[N+](C)(C)Cc1ccccc1Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001170216821 809819474 /nfs/dbraw/zinc/81/94/74/809819474.db2.gz BIEWOVSLKYFJHT-UHFFFAOYSA-O 1 0 329.384 2.056 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])O1 ZINC001170285331 809881484 /nfs/dbraw/zinc/88/14/84/809881484.db2.gz WSICDTKCMVIURU-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnn(CCF)c2)c([N+](=O)[O-])c1 ZINC001170321887 809890086 /nfs/dbraw/zinc/89/00/86/809890086.db2.gz DMUHOKSIWUZMHL-GFCCVEGCSA-N 1 0 336.367 2.490 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCSCC2)c([N+](=O)[O-])c1 ZINC001170308620 809900947 /nfs/dbraw/zinc/90/09/47/809900947.db2.gz MXWMJJCMGSXQIA-ZDUSSCGKSA-N 1 0 339.461 2.173 20 5 EEBDRO CCc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001129588673 810922715 /nfs/dbraw/zinc/92/27/15/810922715.db2.gz OJNZKNDLADKKSZ-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO O=C(COCC1CCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129704148 810963517 /nfs/dbraw/zinc/96/35/17/810963517.db2.gz AKJMWHKDYPTZDT-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO CCOC(=O)C1=C(N=c2ccc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]C1 ZINC001170513541 812029213 /nfs/dbraw/zinc/02/92/13/812029213.db2.gz NXYJVLQEXCNNCA-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO Cc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1Br ZINC001170573854 813020595 /nfs/dbraw/zinc/02/05/95/813020595.db2.gz LDNRPJHEEICGKS-TVQRCGJNSA-N 1 0 344.209 2.455 20 5 EEBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC001522826945 1119513908 /nfs/dbraw/zinc/51/39/08/1119513908.db2.gz NSTGUUVFNLKIIV-DCAQKATOSA-N 1 0 325.796 2.388 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189671816 529431044 /nfs/dbraw/zinc/43/10/44/529431044.db2.gz CBSRKIUDBPJMNE-MRXNPFEDSA-N 1 0 339.367 2.299 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189664808 529562654 /nfs/dbraw/zinc/56/26/54/529562654.db2.gz FTAMYIWJCXMQNM-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186784954 529903037 /nfs/dbraw/zinc/90/30/37/529903037.db2.gz BYHVAWLTQIUVSP-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000067118771 215113970 /nfs/dbraw/zinc/11/39/70/215113970.db2.gz DYYQJAAHKALOHO-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000067271104 215129823 /nfs/dbraw/zinc/12/98/23/215129823.db2.gz QTBWQLZXALTSCV-GFCCVEGCSA-N 1 0 345.403 2.321 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000181816496 234335008 /nfs/dbraw/zinc/33/50/08/234335008.db2.gz GHNPXNSXQLIMCL-HZSPNIEDSA-N 1 0 335.404 2.190 20 5 EEBDRO C[C@H]1SCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000181895215 234371630 /nfs/dbraw/zinc/37/16/30/234371630.db2.gz RPPGQIFDFAEPST-XQQFMLRXSA-N 1 0 326.418 2.160 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752884 291158177 /nfs/dbraw/zinc/15/81/77/291158177.db2.gz YPCBXIFATSSGSG-SDDRHHMPSA-N 1 0 335.433 2.471 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237255452 283547790 /nfs/dbraw/zinc/54/77/90/283547790.db2.gz FQXDTWMQAIJCJU-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO CCOC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072977435 216337061 /nfs/dbraw/zinc/33/70/61/216337061.db2.gz KTRSJOJTOXETPT-ZBFHGGJFSA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420584046 239853385 /nfs/dbraw/zinc/85/33/85/239853385.db2.gz KGEXPHFEBCWRSV-CHWSQXEVSA-N 1 0 334.420 2.474 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000421713487 240021798 /nfs/dbraw/zinc/02/17/98/240021798.db2.gz STHUUXFCBZIITN-AWEZNQCLSA-N 1 0 330.388 2.171 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000422729536 240196774 /nfs/dbraw/zinc/19/67/74/240196774.db2.gz KVDXJWPMCYYMQW-SNVBAGLBSA-N 1 0 329.809 2.209 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000422903048 240282756 /nfs/dbraw/zinc/28/27/56/240282756.db2.gz NWVONBPHTNUSNY-UHFFFAOYSA-N 1 0 349.431 2.490 20 5 EEBDRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000428244535 241554230 /nfs/dbraw/zinc/55/42/30/241554230.db2.gz ZCJYBMZNNOMGJK-AWEZNQCLSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447505877 242281524 /nfs/dbraw/zinc/28/15/24/242281524.db2.gz BAALNZXZIYWFGI-JFGNBEQYSA-N 1 0 341.795 2.272 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236796766 242359417 /nfs/dbraw/zinc/35/94/17/242359417.db2.gz KZVHBHLPVKNAKP-MRXNPFEDSA-N 1 0 335.404 2.100 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450356848 242794676 /nfs/dbraw/zinc/79/46/76/242794676.db2.gz XPBDVSTZXBIKOW-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000133767615 223445204 /nfs/dbraw/zinc/44/52/04/223445204.db2.gz IUTBPLQZMSLLAR-YESZJQIVSA-N 1 0 330.388 2.078 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000451469743 243125104 /nfs/dbraw/zinc/12/51/04/243125104.db2.gz MLLYSRYTVLDXSU-NUEKZKHPSA-N 1 0 333.388 2.327 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451729078 243231040 /nfs/dbraw/zinc/23/10/40/243231040.db2.gz IXCGEPRJCFKSTQ-CQSZACIVSA-N 1 0 337.420 2.398 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000262735388 245153504 /nfs/dbraw/zinc/15/35/04/245153504.db2.gz CKUDBCWLJHEJKF-GHMZBOCLSA-N 1 0 341.795 2.226 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](C)CC1 ZINC000264954852 247083731 /nfs/dbraw/zinc/08/37/31/247083731.db2.gz WDICNYLPHKWQEK-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519640 248342028 /nfs/dbraw/zinc/34/20/28/248342028.db2.gz COCJKZXDCSQYFY-IRXDYDNUSA-N 1 0 330.388 2.298 20 5 EEBDRO CCCC[N@H+](CC(N)=O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091950231 218093713 /nfs/dbraw/zinc/09/37/13/218093713.db2.gz PDHFGJOXXSMJJQ-UHFFFAOYSA-N 1 0 345.403 2.083 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152927638 224033005 /nfs/dbraw/zinc/03/30/05/224033005.db2.gz SAUJMFOBZSJTGO-KBPBESRZSA-N 1 0 337.420 2.365 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)n1 ZINC000377658938 285168405 /nfs/dbraw/zinc/16/84/05/285168405.db2.gz LCYYVYLZBJXPEJ-QGZVFWFLSA-N 1 0 328.372 2.261 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000268926666 255497249 /nfs/dbraw/zinc/49/72/49/255497249.db2.gz AYYDTKULOQHXJL-HZPDHXFCSA-N 1 0 334.420 2.478 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000268045362 256107662 /nfs/dbraw/zinc/10/76/62/256107662.db2.gz PWHVWJZTQGEVCG-UHFFFAOYSA-N 1 0 342.779 2.450 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000273517942 256303115 /nfs/dbraw/zinc/30/31/15/256303115.db2.gz XYYPLLYZVQFKIN-CQSZACIVSA-N 1 0 342.396 2.293 20 5 EEBDRO C[N@H+]1CC=C(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000273716127 256321016 /nfs/dbraw/zinc/32/10/16/256321016.db2.gz GACSMRGIERPMIP-UHFFFAOYSA-N 1 0 330.388 2.161 20 5 EEBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273489229 256300616 /nfs/dbraw/zinc/30/06/16/256300616.db2.gz KJNISLCSKBLKPS-JKSUJKDBSA-N 1 0 349.456 2.176 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171377761 533327908 /nfs/dbraw/zinc/32/79/08/533327908.db2.gz CWIJOHCYJDSUHI-STQMWFEESA-N 1 0 349.387 2.007 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000192463578 533409925 /nfs/dbraw/zinc/40/99/25/533409925.db2.gz HGTVNCZIUCQWTR-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000352179602 152993643 /nfs/dbraw/zinc/99/36/43/152993643.db2.gz ZMWKPCFPZRDFRN-KRWDZBQOSA-N 1 0 348.447 2.410 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)nc1 ZINC000093534344 159235962 /nfs/dbraw/zinc/23/59/62/159235962.db2.gz PCKFPKVAQFUNKO-CYBMUJFWSA-N 1 0 342.355 2.405 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCCC1 ZINC000104215008 159283007 /nfs/dbraw/zinc/28/30/07/159283007.db2.gz XEUSULQJLPWNTQ-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000164834133 159749533 /nfs/dbraw/zinc/74/95/33/159749533.db2.gz OSRWGRXPOUCADN-XJKSGUPXSA-N 1 0 335.404 2.129 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000194339506 160192139 /nfs/dbraw/zinc/19/21/39/160192139.db2.gz DEFHUBXQCVVKDE-UHFFFAOYSA-N 1 0 347.415 2.354 20 5 EEBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])n1 ZINC000237817940 160225501 /nfs/dbraw/zinc/22/55/01/160225501.db2.gz XOHPFTYOPLLZFM-UHFFFAOYSA-N 1 0 338.414 2.199 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000247448049 160325095 /nfs/dbraw/zinc/32/50/95/160325095.db2.gz YQSUSAQGHMBYIF-NHYWBVRUSA-N 1 0 343.387 2.027 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000339056271 160824695 /nfs/dbraw/zinc/82/46/95/160824695.db2.gz YQCHJFHKNVBHHG-QGZVFWFLSA-N 1 0 348.355 2.104 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340132822 160900679 /nfs/dbraw/zinc/90/06/79/160900679.db2.gz CQYXXOLHSCCLDQ-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343266942 161118670 /nfs/dbraw/zinc/11/86/70/161118670.db2.gz MTXWYKCETKMDMG-STQMWFEESA-N 1 0 328.372 2.433 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000343759498 161165706 /nfs/dbraw/zinc/16/57/06/161165706.db2.gz CNNBKHQXXPEBLJ-NWDGAFQWSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343979595 161186168 /nfs/dbraw/zinc/18/61/68/161186168.db2.gz NVCMWMCIYOGBAQ-CQSZACIVSA-N 1 0 348.447 2.188 20 5 EEBDRO C[C@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[N@@H+]1C ZINC000344233930 161209739 /nfs/dbraw/zinc/20/97/39/161209739.db2.gz CXONQUVLIWAMLF-BLLLJJGKSA-N 1 0 332.404 2.145 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344414201 161225127 /nfs/dbraw/zinc/22/51/27/161225127.db2.gz DJHQCVPHPSVUKY-PHIMTYICSA-N 1 0 341.358 2.357 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1 ZINC000347662559 161472102 /nfs/dbraw/zinc/47/21/02/161472102.db2.gz CZNKUKWYDWQRQB-UHFFFAOYSA-N 1 0 336.344 2.037 20 5 EEBDRO Cc1ccnc(NC[C@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637914 164142960 /nfs/dbraw/zinc/14/29/60/164142960.db2.gz KODJZJABKMHGRI-UONOGXRCSA-N 1 0 348.382 2.056 20 5 EEBDRO Cc1ccnc(NC[C@H]2C[C@@H](F)CN2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637915 164143148 /nfs/dbraw/zinc/14/31/48/164143148.db2.gz KODJZJABKMHGRI-ZIAGYGMSSA-N 1 0 348.382 2.056 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360260332 164270916 /nfs/dbraw/zinc/27/09/16/164270916.db2.gz FOWHIJBENFFMCD-UHFFFAOYSA-N 1 0 331.294 2.439 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237478549 287119858 /nfs/dbraw/zinc/11/98/58/287119858.db2.gz RYQNIYWFXYFHAR-RFAUZJTJSA-N 1 0 341.795 2.259 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000368964672 166159852 /nfs/dbraw/zinc/15/98/52/166159852.db2.gz PTTXVNILYBRVTC-ROUUACIJSA-N 1 0 349.431 2.207 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000374059559 167011310 /nfs/dbraw/zinc/01/13/10/167011310.db2.gz RGRGMLNSINNPON-UHFFFAOYSA-N 1 0 349.435 2.218 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000374429918 167041059 /nfs/dbraw/zinc/04/10/59/167041059.db2.gz QOQIJWSICUXFIC-BPQIPLTHSA-N 1 0 349.431 2.157 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000158505860 225030154 /nfs/dbraw/zinc/03/01/54/225030154.db2.gz QBRBTXGLEOVDOQ-RISCZKNCSA-N 1 0 325.796 2.424 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000246067358 292599317 /nfs/dbraw/zinc/59/93/17/292599317.db2.gz SCBPQDIEIJIVMK-XEZPLFJOSA-N 1 0 335.404 2.190 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CO)CCCC1 ZINC000186479093 268535786 /nfs/dbraw/zinc/53/57/86/268535786.db2.gz GPWBJGPZNDRPTL-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272637989 269002203 /nfs/dbraw/zinc/00/22/03/269002203.db2.gz XYSSKIDHYFXKJF-WOSRLPQWSA-N 1 0 332.404 2.391 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000274411361 269031689 /nfs/dbraw/zinc/03/16/89/269031689.db2.gz AFOZELYMYFKBQQ-UHFFFAOYSA-N 1 0 329.198 2.283 20 5 EEBDRO CO[C@H](C)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805801 269055243 /nfs/dbraw/zinc/05/52/43/269055243.db2.gz GPMNZPPUTBSQTR-GFCCVEGCSA-N 1 0 333.392 2.018 20 5 EEBDRO C[NH+](C)C1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCC1 ZINC000275522463 269121027 /nfs/dbraw/zinc/12/10/27/269121027.db2.gz WVZORBRXSDRGFL-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277221636 269143867 /nfs/dbraw/zinc/14/38/67/269143867.db2.gz RWHYVHMDPCNBOU-HNNXBMFYSA-N 1 0 345.403 2.031 20 5 EEBDRO Nc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(F)cc1[N+](=O)[O-] ZINC000277392086 269152779 /nfs/dbraw/zinc/15/27/79/269152779.db2.gz ARKMOJCTQDJQGV-LBPRGKRZSA-N 1 0 336.367 2.063 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000279310167 269270097 /nfs/dbraw/zinc/27/00/97/269270097.db2.gz RFQCWNWWSUMAMD-ZFWWWQNUSA-N 1 0 335.404 2.373 20 5 EEBDRO O=CN1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279584642 269290797 /nfs/dbraw/zinc/29/07/97/269290797.db2.gz UXNFOEHISQKHBA-UHFFFAOYSA-N 1 0 331.294 2.324 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280252646 269342771 /nfs/dbraw/zinc/34/27/71/269342771.db2.gz BNYOKZSXMCGWLI-WMLDXEAASA-N 1 0 338.404 2.226 20 5 EEBDRO O=c1[nH]c(N2CC[NH+](C3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280675055 269384609 /nfs/dbraw/zinc/38/46/09/269384609.db2.gz CZWRQZZVONZZHC-UHFFFAOYSA-N 1 0 343.387 2.308 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280795602 269391119 /nfs/dbraw/zinc/39/11/19/269391119.db2.gz JYQIOUJHFIUQCX-QAPCUYQASA-N 1 0 331.416 2.423 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000280927875 269398237 /nfs/dbraw/zinc/39/82/37/269398237.db2.gz GVSDUDVNFLMEJP-GFCCVEGCSA-N 1 0 334.332 2.084 20 5 EEBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000109787089 273611495 /nfs/dbraw/zinc/61/14/95/273611495.db2.gz WRTBNAIHQWIHSO-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269435526 274112944 /nfs/dbraw/zinc/11/29/44/274112944.db2.gz OJCOCJBHSRXHRA-UHFFFAOYSA-N 1 0 345.403 2.303 20 5 EEBDRO C[C@H]([NH3+])CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277498827 274299566 /nfs/dbraw/zinc/29/95/66/274299566.db2.gz OTVWWJYIEIVJAG-VIFPVBQESA-N 1 0 348.325 2.269 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277548768 274307740 /nfs/dbraw/zinc/30/77/40/274307740.db2.gz NZOGMPCNZPGSMS-AWEZNQCLSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278666005 274385270 /nfs/dbraw/zinc/38/52/70/274385270.db2.gz NRLPJFNDWMFWEX-ZBEGNZNMSA-N 1 0 349.412 2.348 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285099038 274678101 /nfs/dbraw/zinc/67/81/01/274678101.db2.gz KFUAHHDFXMNVER-JSGCOSHPSA-N 1 0 344.419 2.230 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287205736 274944593 /nfs/dbraw/zinc/94/45/93/274944593.db2.gz POKMXMPPGXMQIZ-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287794944 274993728 /nfs/dbraw/zinc/99/37/28/274993728.db2.gz PANRLKCUWPSWNZ-UHFFFAOYSA-N 1 0 336.392 2.089 20 5 EEBDRO CCc1nn(C)c(NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000288091579 275022905 /nfs/dbraw/zinc/02/29/05/275022905.db2.gz IWTHTEGRYZBURO-UHFFFAOYSA-N 1 0 347.419 2.443 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000289582125 275129625 /nfs/dbraw/zinc/12/96/25/275129625.db2.gz PENWRNKKLLEZKW-SNVBAGLBSA-N 1 0 349.840 2.255 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](C)OC ZINC000291213346 275282596 /nfs/dbraw/zinc/28/25/96/275282596.db2.gz KVOFINVOFHDFNH-NSHDSACASA-N 1 0 327.356 2.419 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000359549640 276100639 /nfs/dbraw/zinc/10/06/39/276100639.db2.gz WQYKGDIFMXRURU-AWEZNQCLSA-N 1 0 339.440 2.057 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1O ZINC000101589052 277818384 /nfs/dbraw/zinc/81/83/84/277818384.db2.gz ZSHFJMXQWMFQSY-CYBMUJFWSA-N 1 0 335.360 2.295 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193013880 278104623 /nfs/dbraw/zinc/10/46/23/278104623.db2.gz CKZOKIJGJYGVTP-HNNXBMFYSA-N 1 0 338.429 2.387 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC(C)(C)O ZINC000177725538 278215023 /nfs/dbraw/zinc/21/50/23/278215023.db2.gz WLVITUUTSWEVKM-VIFPVBQESA-N 1 0 329.784 2.278 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269332202 281199170 /nfs/dbraw/zinc/19/91/70/281199170.db2.gz APQUSHQFYSYDIN-RYUDHWBXSA-N 1 0 335.408 2.140 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000193205517 281262007 /nfs/dbraw/zinc/26/20/07/281262007.db2.gz XFUPSLDGTCGMBP-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000449746847 281397966 /nfs/dbraw/zinc/39/79/66/281397966.db2.gz HERILGBZYGVXCD-GOSISDBHSA-N 1 0 349.434 2.411 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000281557430 292767357 /nfs/dbraw/zinc/76/73/57/292767357.db2.gz YCHUMOFUXIVWAJ-OAHLLOKOSA-N 1 0 347.415 2.369 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293781095 293294061 /nfs/dbraw/zinc/29/40/61/293294061.db2.gz BWOFTQKSJJOUKX-DYEKYZERSA-N 1 0 326.418 2.081 20 5 EEBDRO CN(CC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000293788622 293295923 /nfs/dbraw/zinc/29/59/23/293295923.db2.gz AHCYLXWBKFMKMG-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294122051 293374955 /nfs/dbraw/zinc/37/49/55/293374955.db2.gz LUGPAHPMYOGRNR-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO Cc1nc(NCc2ccc(OCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000295630832 293774386 /nfs/dbraw/zinc/77/43/86/293774386.db2.gz XIQGAGAFWIJKSH-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297021131 294131160 /nfs/dbraw/zinc/13/11/60/294131160.db2.gz GYQAVPVFGLDALH-AWEZNQCLSA-N 1 0 335.404 2.231 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297031698 294134621 /nfs/dbraw/zinc/13/46/21/294134621.db2.gz HIGAEUMCCUCEHM-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448682 294246995 /nfs/dbraw/zinc/24/69/95/294246995.db2.gz JFPQONIUENUFNQ-WCQYABFASA-N 1 0 333.388 2.347 20 5 EEBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC000297509493 294264987 /nfs/dbraw/zinc/26/49/87/294264987.db2.gz NRESQPHZCXQHQK-UHFFFAOYSA-N 1 0 333.367 2.401 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000297523153 294268849 /nfs/dbraw/zinc/26/88/49/294268849.db2.gz BKWDGZHYIQHDES-GWCFXTLKSA-N 1 0 339.367 2.155 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000420403589 301423659 /nfs/dbraw/zinc/42/36/59/301423659.db2.gz LNBXETOGMPARHD-CHWSQXEVSA-N 1 0 341.433 2.102 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358954 303004657 /nfs/dbraw/zinc/00/46/57/303004657.db2.gz CMWWYUKRLQPDBV-SQWLQELKSA-N 1 0 329.404 2.277 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000307827153 311582124 /nfs/dbraw/zinc/58/21/24/311582124.db2.gz WBDSIMYZMYDBDJ-SECBINFHSA-N 1 0 325.674 2.258 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332336554 311991774 /nfs/dbraw/zinc/99/17/74/311991774.db2.gz NZSRLFYWICGIEE-ZDUSSCGKSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000414962506 313116542 /nfs/dbraw/zinc/11/65/42/313116542.db2.gz ZSWVEOQKEJGGPB-SCZZXKLOSA-N 1 0 344.318 2.397 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415636484 313156147 /nfs/dbraw/zinc/15/61/47/313156147.db2.gz XJRWJFNUZWOEDZ-UHFFFAOYSA-N 1 0 340.355 2.096 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417720413 313575780 /nfs/dbraw/zinc/57/57/80/313575780.db2.gz RNOOCIMNPSXZJE-CQSZACIVSA-N 1 0 349.435 2.004 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417846269 313616758 /nfs/dbraw/zinc/61/67/58/313616758.db2.gz JDVKHBBLVYCXAH-LZWOXQAQSA-N 1 0 332.404 2.297 20 5 EEBDRO Cc1c(NC(=O)CCN(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421017446 314027336 /nfs/dbraw/zinc/02/73/36/314027336.db2.gz ZQTVJTURIKZEHX-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430550225 314543607 /nfs/dbraw/zinc/54/36/07/314543607.db2.gz KBHFULWIUCZUKU-QMTHXVAHSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000434533427 314845530 /nfs/dbraw/zinc/84/55/30/314845530.db2.gz RLFDLGNEWYTFKE-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441378020 315183817 /nfs/dbraw/zinc/18/38/17/315183817.db2.gz CPIQTKOCTAWGHF-SJLPKXTDSA-N 1 0 344.415 2.168 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000449225835 315435556 /nfs/dbraw/zinc/43/55/56/315435556.db2.gz PIERYZUPTKLEJG-OLZOCXBDSA-N 1 0 331.372 2.413 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000493186011 315905668 /nfs/dbraw/zinc/90/56/68/315905668.db2.gz GRBSGDNGQSPQDQ-IVZVJUQRSA-N 1 0 333.363 2.349 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000536828234 318010742 /nfs/dbraw/zinc/01/07/42/318010742.db2.gz QTKOFVLLMOKEQC-AWEZNQCLSA-N 1 0 343.449 2.353 20 5 EEBDRO CC[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537972629 318030730 /nfs/dbraw/zinc/03/07/30/318030730.db2.gz SWFLNBHKSROOHE-SWLSCSKDSA-N 1 0 341.433 2.041 20 5 EEBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000562996849 318955061 /nfs/dbraw/zinc/95/50/61/318955061.db2.gz IGRFHGYTJPNBNC-HNNXBMFYSA-N 1 0 345.399 2.297 20 5 EEBDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860853 319119286 /nfs/dbraw/zinc/11/92/86/319119286.db2.gz WEIORJNVQAUDDB-GJZGRUSLSA-N 1 0 326.418 2.393 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000564860947 319119523 /nfs/dbraw/zinc/11/95/23/319119523.db2.gz XRWFDIGUVCBVHZ-ZDUSSCGKSA-N 1 0 330.331 2.360 20 5 EEBDRO COc1ccc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000565172530 319156882 /nfs/dbraw/zinc/15/68/82/319156882.db2.gz OTTNEUBDGCKXAN-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO CC(C)([NH3+])c1noc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1 ZINC000565301209 319170170 /nfs/dbraw/zinc/17/01/70/319170170.db2.gz ODSACCROFJPHLP-UHFFFAOYSA-N 1 0 336.739 2.223 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000573874192 319974016 /nfs/dbraw/zinc/97/40/16/319974016.db2.gz HCRIAUBBQFHKMW-MRXNPFEDSA-N 1 0 346.383 2.271 20 5 EEBDRO Cc1ncc2n1C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000575187185 320094251 /nfs/dbraw/zinc/09/42/51/320094251.db2.gz HQBJOTFGYLGISS-HNNXBMFYSA-N 1 0 342.399 2.363 20 5 EEBDRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1CC(F)(F)F ZINC000575328978 320101252 /nfs/dbraw/zinc/10/12/52/320101252.db2.gz BRCMUDAOPSGJHE-NWDGAFQWSA-N 1 0 343.305 2.335 20 5 EEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000576728532 320199253 /nfs/dbraw/zinc/19/92/53/320199253.db2.gz KVNDBOKXKLPULT-UHFFFAOYSA-N 1 0 331.376 2.088 20 5 EEBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)C[C@H](C)O1 ZINC000576837880 320209087 /nfs/dbraw/zinc/20/90/87/320209087.db2.gz KSSSHARXOBVTSV-BETUJISGSA-N 1 0 331.372 2.019 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000181920692 323359770 /nfs/dbraw/zinc/35/97/70/323359770.db2.gz HSXHMRFKTBZMLG-CYBMUJFWSA-N 1 0 341.795 2.008 20 5 EEBDRO CC(F)(F)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578996227 323753575 /nfs/dbraw/zinc/75/35/75/323753575.db2.gz IOPLLTVRQFFWEJ-CQSZACIVSA-N 1 0 340.330 2.054 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCO[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581067707 324179047 /nfs/dbraw/zinc/17/90/47/324179047.db2.gz NLWGHJJGOKIYBV-XJKSGUPXSA-N 1 0 333.388 2.471 20 5 EEBDRO CCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000296149911 465095708 /nfs/dbraw/zinc/09/57/08/465095708.db2.gz XXZMARZHLVDIIQ-HNNXBMFYSA-N 1 0 337.420 2.277 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000578863551 468270892 /nfs/dbraw/zinc/27/08/92/468270892.db2.gz QIZOHVWUUDPPMN-ZENOOKHLSA-N 1 0 333.388 2.341 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045770637 462616250 /nfs/dbraw/zinc/61/62/50/462616250.db2.gz SYXVMSVBCWTHKN-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128204428 462618855 /nfs/dbraw/zinc/61/88/55/462618855.db2.gz LZPDCJBZBSIDQE-GFCCVEGCSA-N 1 0 343.387 2.029 20 5 EEBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579103973 468309592 /nfs/dbraw/zinc/30/95/92/468309592.db2.gz YHPCQKAIXJMYBV-MRXNPFEDSA-N 1 0 346.383 2.312 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153814255 462695312 /nfs/dbraw/zinc/69/53/12/462695312.db2.gz BRAIAWOTFYJOMU-KRWDZBQOSA-N 1 0 333.388 2.344 20 5 EEBDRO CCOc1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000153947040 462711039 /nfs/dbraw/zinc/71/10/39/462711039.db2.gz FQHHGDWZSNEWET-OAHLLOKOSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000007365405 462732870 /nfs/dbraw/zinc/73/28/70/462732870.db2.gz BRGRFAHKANSOOD-UHFFFAOYSA-N 1 0 329.316 2.225 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090139388 462778403 /nfs/dbraw/zinc/77/84/03/462778403.db2.gz TWKZOGYLQUVACK-QGZVFWFLSA-N 1 0 330.388 2.381 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000090550545 462797349 /nfs/dbraw/zinc/79/73/49/462797349.db2.gz KOIUSUAVYSWEBW-INIZCTEOSA-N 1 0 327.384 2.321 20 5 EEBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCCO1 ZINC000117342027 462799811 /nfs/dbraw/zinc/79/98/11/462799811.db2.gz NMWOBZDYVFWLHN-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065876449 462836182 /nfs/dbraw/zinc/83/61/82/462836182.db2.gz OHEBZYDXEFNQSI-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155545335 462907378 /nfs/dbraw/zinc/90/73/78/462907378.db2.gz ZESMKQNUHJSWJH-XJKCOSOUSA-N 1 0 333.388 2.423 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000590751589 468325333 /nfs/dbraw/zinc/32/53/33/468325333.db2.gz DFFWYWQVUZYKIJ-PWSUYJOCSA-N 1 0 326.324 2.174 20 5 EEBDRO NC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000015129697 462941752 /nfs/dbraw/zinc/94/17/52/462941752.db2.gz RQPBJQONARUZEB-HNNXBMFYSA-N 1 0 340.383 2.380 20 5 EEBDRO C[N@H+](CCC1CCOCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000120510074 463006329 /nfs/dbraw/zinc/00/63/29/463006329.db2.gz DRBYOFJTCANJAS-UHFFFAOYSA-N 1 0 347.415 2.232 20 5 EEBDRO COc1ccc(OCC[N@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134407129 463035411 /nfs/dbraw/zinc/03/54/11/463035411.db2.gz ILYLJNGTPPQCEY-OAHLLOKOSA-N 1 0 326.393 2.321 20 5 EEBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCC1 ZINC000068424547 463134723 /nfs/dbraw/zinc/13/47/23/463134723.db2.gz CWYSDXUFZQQFKP-ZDUSSCGKSA-N 1 0 330.388 2.150 20 5 EEBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000026448308 463162139 /nfs/dbraw/zinc/16/21/39/463162139.db2.gz ALADDHFDWCREAZ-UHFFFAOYSA-N 1 0 347.415 2.375 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079927652 463261710 /nfs/dbraw/zinc/26/17/10/463261710.db2.gz WRKRHVCJWHXECK-BETUJISGSA-N 1 0 334.420 2.474 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000136895420 463265235 /nfs/dbraw/zinc/26/52/35/463265235.db2.gz WRWNLGQFVVGMSF-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000159320946 463280404 /nfs/dbraw/zinc/28/04/04/463280404.db2.gz IQNVFZMEUIOFLA-LBPRGKRZSA-N 1 0 332.385 2.185 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069802589 463327568 /nfs/dbraw/zinc/32/75/68/463327568.db2.gz VIEJPWCUKMRJFT-INIZCTEOSA-N 1 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ZINC000081634851 463475945 /nfs/dbraw/zinc/47/59/45/463475945.db2.gz BYBDVXOLLYNMEG-HNNXBMFYSA-N 1 0 346.431 2.197 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151169341 463487756 /nfs/dbraw/zinc/48/77/56/463487756.db2.gz ZBCZBYIZQWNGRS-BRXULGCHSA-N 1 0 333.388 2.469 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000162856778 463545192 /nfs/dbraw/zinc/54/51/92/463545192.db2.gz BUSKGRCMMFLOGE-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000163482779 463592058 /nfs/dbraw/zinc/59/20/58/463592058.db2.gz QDCORZUUEMMBMK-UHFFFAOYSA-N 1 0 349.435 2.057 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000108330467 463597527 /nfs/dbraw/zinc/59/75/27/463597527.db2.gz GJVTWEWNJSXRSQ-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO C[NH+](C)CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590901868 468369373 /nfs/dbraw/zinc/36/93/73/468369373.db2.gz XZLPXHLVGXJNPV-HNNXBMFYSA-N 1 0 334.420 2.436 20 5 EEBDRO COCCN1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000268901075 463799917 /nfs/dbraw/zinc/79/99/17/463799917.db2.gz LBBSADFCKPVGJZ-IRXDYDNUSA-N 1 0 333.432 2.226 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261612063 463801588 /nfs/dbraw/zinc/80/15/88/463801588.db2.gz DVEYTHGEJXVILK-CQSZACIVSA-N 1 0 333.388 2.208 20 5 EEBDRO COCC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261633397 463809252 /nfs/dbraw/zinc/80/92/52/463809252.db2.gz BHPISZZKPAXOAN-UHFFFAOYSA-N 1 0 349.431 2.005 20 5 EEBDRO CCC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965974 463830214 /nfs/dbraw/zinc/83/02/14/463830214.db2.gz YJPCWPWFLBSYCV-IAGOWNOFSA-N 1 0 348.447 2.365 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269002552 463842930 /nfs/dbraw/zinc/84/29/30/463842930.db2.gz ZPAVOBKIDDGHJB-CVEARBPZSA-N 1 0 346.431 2.263 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000277037237 463851341 /nfs/dbraw/zinc/85/13/41/463851341.db2.gz GZUOIVXFMGCKAW-UHFFFAOYSA-N 1 0 348.384 2.300 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261793906 463862605 /nfs/dbraw/zinc/86/26/05/463862605.db2.gz LFNWBIKIAPMZMQ-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261880408 463887937 /nfs/dbraw/zinc/88/79/37/463887937.db2.gz UDTDAWVWVBHCFK-STQMWFEESA-N 1 0 332.404 2.004 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262240908 463979968 /nfs/dbraw/zinc/97/99/68/463979968.db2.gz RNESLIKFLPLPIL-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179125672 464062514 /nfs/dbraw/zinc/06/25/14/464062514.db2.gz ZVGYZLBWTXRJMZ-CYBMUJFWSA-N 1 0 349.387 2.259 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000188213480 464226469 /nfs/dbraw/zinc/22/64/69/464226469.db2.gz FCWDOMSFPNVKBH-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263883425 464226520 /nfs/dbraw/zinc/22/65/20/464226520.db2.gz QTOIEQMUYRWMHD-VMPITWQZSA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292512094 464258011 /nfs/dbraw/zinc/25/80/11/464258011.db2.gz YDLLYZBIVUVOFY-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO COc1ccc(OCC[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000173525484 464276639 /nfs/dbraw/zinc/27/66/39/464276639.db2.gz GCVWBSWWPSRTCK-CYBMUJFWSA-N 1 0 336.388 2.483 20 5 EEBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264506637 464353170 /nfs/dbraw/zinc/35/31/70/464353170.db2.gz LADKIWHMKAUDAJ-GFCCVEGCSA-N 1 0 336.367 2.017 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC[NH+]1CCCC1 ZINC000281215340 464374005 /nfs/dbraw/zinc/37/40/05/464374005.db2.gz DLUFPMNMTJPYCZ-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238019242 464419548 /nfs/dbraw/zinc/41/95/48/464419548.db2.gz LIKOFDWKVDZHMK-TZMCWYRMSA-N 1 0 332.404 2.416 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000281386588 464436108 /nfs/dbraw/zinc/43/61/08/464436108.db2.gz MYRIBOOSUOLBLQ-CHWSQXEVSA-N 1 0 333.388 2.023 20 5 EEBDRO CC1CC[NH+](C[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000174863708 464459573 /nfs/dbraw/zinc/45/95/73/464459573.db2.gz FQAKUFPYDUHVGE-MRXNPFEDSA-N 1 0 335.452 2.235 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281568311 464507214 /nfs/dbraw/zinc/50/72/14/464507214.db2.gz YWNYZOXRYOXWRF-CQSZACIVSA-N 1 0 335.404 2.082 20 5 EEBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272244515 464534414 /nfs/dbraw/zinc/53/44/14/464534414.db2.gz LCVDWHRPQZRJGZ-JSGCOSHPSA-N 1 0 342.403 2.290 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)c1 ZINC000272346861 464573723 /nfs/dbraw/zinc/57/37/23/464573723.db2.gz PSUJUYLWSIGTPQ-UHFFFAOYSA-N 1 0 327.384 2.409 20 5 EEBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000182137663 464579555 /nfs/dbraw/zinc/57/95/55/464579555.db2.gz NEQSQTHSKYNCDX-LBPRGKRZSA-N 1 0 327.812 2.401 20 5 EEBDRO Cn1c(Sc2ccc(F)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265495032 464580754 /nfs/dbraw/zinc/58/07/54/464580754.db2.gz WNTDOSZWZXOJCS-SECBINFHSA-N 1 0 337.380 2.481 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265508205 464584909 /nfs/dbraw/zinc/58/49/09/464584909.db2.gz QRVLRGZHCTYDQA-KBPBESRZSA-N 1 0 334.420 2.195 20 5 EEBDRO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285709349 464666993 /nfs/dbraw/zinc/66/69/93/464666993.db2.gz HWCBGFAVEPYLEB-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621813 464695620 /nfs/dbraw/zinc/69/56/20/464695620.db2.gz DJMSVMFYYVQMMT-FZMZJTMJSA-N 1 0 330.344 2.249 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000295119107 464711655 /nfs/dbraw/zinc/71/16/55/464711655.db2.gz WNLNCWMFQWKYPB-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282144684 464712831 /nfs/dbraw/zinc/71/28/31/464712831.db2.gz SDRYMHKMMBAGCN-OAHLLOKOSA-N 1 0 333.388 2.472 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265885677 464721433 /nfs/dbraw/zinc/72/14/33/464721433.db2.gz XSHUWGCQYHUMBJ-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152599 464724661 /nfs/dbraw/zinc/72/46/61/464724661.db2.gz AJVXTCQRKXYXNO-ZTFRIQLXSA-N 1 0 347.415 2.133 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1C ZINC000192029826 464852360 /nfs/dbraw/zinc/85/23/60/464852360.db2.gz ZIQVZSAATQPAQK-AWEZNQCLSA-N 1 0 341.433 2.007 20 5 EEBDRO COc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295484825 464854122 /nfs/dbraw/zinc/85/41/22/464854122.db2.gz ZKYSEWUIDBEJQB-GFCCVEGCSA-N 1 0 333.388 2.160 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295583221 464891024 /nfs/dbraw/zinc/89/10/24/464891024.db2.gz VXULEAQIOBOVOE-OAHLLOKOSA-N 1 0 349.431 2.295 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249744999 464911274 /nfs/dbraw/zinc/91/12/74/464911274.db2.gz MIIJNYIGUNIGSP-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000282925260 465004420 /nfs/dbraw/zinc/00/44/20/465004420.db2.gz WROVMWGMCRZXMT-IUODEOHRSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337830585 465613651 /nfs/dbraw/zinc/61/36/51/465613651.db2.gz VRJANVVTIPHZBZ-SJORKVTESA-N 1 0 340.383 2.439 20 5 EEBDRO CC(=O)N1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000360949626 465657417 /nfs/dbraw/zinc/65/74/17/465657417.db2.gz OMHIDLFXGZEUJK-UHFFFAOYSA-N 1 0 328.372 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294262 465692949 /nfs/dbraw/zinc/69/29/49/465692949.db2.gz JQQPCTJKFWKONU-UWWQBHOKSA-N 1 0 349.431 2.287 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000361011873 465701603 /nfs/dbraw/zinc/70/16/03/465701603.db2.gz KQKMODWTFURHIB-CSPWOOARSA-N 1 0 327.388 2.210 20 5 EEBDRO COC(=O)c1ccc(Cl)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000361012688 465704347 /nfs/dbraw/zinc/70/43/47/465704347.db2.gz KXQAZNCNDZNODR-UHFFFAOYSA-N 1 0 338.751 2.021 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353266112 465758136 /nfs/dbraw/zinc/75/81/36/465758136.db2.gz JCBXKMPZKQEHLI-HNNXBMFYSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]2CCCCN12 ZINC000338032949 465766146 /nfs/dbraw/zinc/76/61/46/465766146.db2.gz XHUGUYUGKZJNLU-BARDWOONSA-N 1 0 347.419 2.018 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361117795 465775025 /nfs/dbraw/zinc/77/50/25/465775025.db2.gz OLVXQRQQVARSSX-ZFWWWQNUSA-N 1 0 337.807 2.295 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000299604371 465822391 /nfs/dbraw/zinc/82/23/91/465822391.db2.gz IDVMIXRLMUNQAG-UHFFFAOYSA-N 1 0 330.388 2.104 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345166015 465837324 /nfs/dbraw/zinc/83/73/24/465837324.db2.gz VKTMQEWNSPIPAD-QWHCGFSZSA-N 1 0 346.431 2.406 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000353381115 465845321 /nfs/dbraw/zinc/84/53/21/465845321.db2.gz LSZHCTDDAOWECK-UHFFFAOYSA-N 1 0 328.372 2.357 20 5 EEBDRO CC[NH+]1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000353451151 465892404 /nfs/dbraw/zinc/89/24/04/465892404.db2.gz WPPZRRYXRIWOQS-KRWDZBQOSA-N 1 0 343.431 2.492 20 5 EEBDRO CC(=O)c1ccc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301247362 465930043 /nfs/dbraw/zinc/93/00/43/465930043.db2.gz BAVLWIQCRSEFCU-INIZCTEOSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000357315121 465940783 /nfs/dbraw/zinc/94/07/83/465940783.db2.gz NBNNZCJLKJAHEP-XNJGSVPQSA-N 1 0 346.431 2.311 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346171383 465959509 /nfs/dbraw/zinc/95/95/09/465959509.db2.gz WMENRAXSRMXYTO-SECBINFHSA-N 1 0 331.825 2.407 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301419694 465959993 /nfs/dbraw/zinc/95/99/93/465959993.db2.gz RWHSKFZLEUPPKZ-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357393193 466000905 /nfs/dbraw/zinc/00/09/05/466000905.db2.gz UIJDHRUPCOXLMK-UHFFFAOYSA-N 1 0 345.403 2.452 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000301861556 466047815 /nfs/dbraw/zinc/04/78/15/466047815.db2.gz FBHKGVVKJBOIKA-HOTGVXAUSA-N 1 0 328.372 2.037 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](CO)O3)o2)cc1 ZINC000353709086 466086652 /nfs/dbraw/zinc/08/66/52/466086652.db2.gz RZCYHGGCJUOYQR-GOEBONIOSA-N 1 0 332.356 2.484 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353794742 466154153 /nfs/dbraw/zinc/15/41/53/466154153.db2.gz BKKCWXQOXXXBHT-ZFWWWQNUSA-N 1 0 349.435 2.169 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000357625223 466186723 /nfs/dbraw/zinc/18/67/23/466186723.db2.gz CMKWCVIGJQJGOB-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000363122804 466233466 /nfs/dbraw/zinc/23/34/66/466233466.db2.gz SZEQJLGOVLSSEZ-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000357855027 466266547 /nfs/dbraw/zinc/26/65/47/466266547.db2.gz DEOCAUUFGGZCMZ-NHYWBVRUSA-N 1 0 345.403 2.356 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353959581 466282719 /nfs/dbraw/zinc/28/27/19/466282719.db2.gz KNIWLOBYSHEZFC-GHMZBOCLSA-N 1 0 343.811 2.472 20 5 EEBDRO CCc1nn(C)c(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000367466039 466357891 /nfs/dbraw/zinc/35/78/91/466357891.db2.gz QUBBAAQZVPNHEC-FOLVSLTJSA-N 1 0 341.415 2.433 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000305202074 466376214 /nfs/dbraw/zinc/37/62/14/466376214.db2.gz BBKYQSUELJWHLK-ZIAGYGMSSA-N 1 0 335.404 2.467 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000581082758 468488207 /nfs/dbraw/zinc/48/82/07/468488207.db2.gz NJWPUBRZLQHOJM-MRXNPFEDSA-N 1 0 325.412 2.251 20 5 EEBDRO COc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332093971 466384424 /nfs/dbraw/zinc/38/44/24/466384424.db2.gz WNEZUCVZNFCEID-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332120012 466397452 /nfs/dbraw/zinc/39/74/52/466397452.db2.gz FLXVLUUVSKGKEA-CZUORRHYSA-N 1 0 332.404 2.092 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000362023592 466492398 /nfs/dbraw/zinc/49/23/98/466492398.db2.gz ONWMHWJTDGDQKB-CQSZACIVSA-N 1 0 340.383 2.062 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000322576554 466633871 /nfs/dbraw/zinc/63/38/71/466633871.db2.gz QZTUVVFANLTGCH-AAEUAGOBSA-N 1 0 339.417 2.037 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000322638533 466634310 /nfs/dbraw/zinc/63/43/10/466634310.db2.gz XGQMTOOVGOHBGA-RYUDHWBXSA-N 1 0 339.417 2.037 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000322638531 466634562 /nfs/dbraw/zinc/63/45/62/466634562.db2.gz XGQMTOOVGOHBGA-NWDGAFQWSA-N 1 0 339.417 2.037 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354561703 466642137 /nfs/dbraw/zinc/64/21/37/466642137.db2.gz NUASJWAAWADEMC-VIFPVBQESA-N 1 0 335.451 2.202 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374618601 466693917 /nfs/dbraw/zinc/69/39/17/466693917.db2.gz HSYHZQWVYCCPFK-HNNXBMFYSA-N 1 0 341.367 2.177 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c([N+](=O)[O-])c1 ZINC000423241494 466702483 /nfs/dbraw/zinc/70/24/83/466702483.db2.gz YACCGIDHCBMLTD-DZGCQCFKSA-N 1 0 334.420 2.210 20 5 EEBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000374686894 466714921 /nfs/dbraw/zinc/71/49/21/466714921.db2.gz OVTGFIHDLCTAAJ-IEAZIUSSSA-N 1 0 348.399 2.321 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000423751752 466824236 /nfs/dbraw/zinc/82/42/36/466824236.db2.gz WGONUQAKJNFOOG-LLVKDONJSA-N 1 0 335.282 2.003 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(CC(F)F)C2)n1 ZINC000417388403 466847551 /nfs/dbraw/zinc/84/75/51/466847551.db2.gz ONWFDPYNERZTQM-FRRDWIJNSA-N 1 0 343.378 2.204 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708231 466914346 /nfs/dbraw/zinc/91/43/46/466914346.db2.gz BTYKOVAETXCZAM-LSDHHAIUSA-N 1 0 334.420 2.487 20 5 EEBDRO CC1(C)CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417728407 466918652 /nfs/dbraw/zinc/91/86/52/466918652.db2.gz PGZLNKOPKFYXFA-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423942527 466922711 /nfs/dbraw/zinc/92/27/11/466922711.db2.gz FBZDHPRRYIROBO-NOZJJQNGSA-N 1 0 341.795 2.211 20 5 EEBDRO COC(=O)[C@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000411908957 466930265 /nfs/dbraw/zinc/93/02/65/466930265.db2.gz FDAUJLBUTMPGLY-ZIAGYGMSSA-N 1 0 335.404 2.001 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424013284 466951731 /nfs/dbraw/zinc/95/17/31/466951731.db2.gz KKHJYBBGIVCUFV-WCQYABFASA-N 1 0 332.404 2.226 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000411984585 466957060 /nfs/dbraw/zinc/95/70/60/466957060.db2.gz RLQDJSAMVGWTBR-JKSUJKDBSA-N 1 0 343.358 2.435 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417994103 467014578 /nfs/dbraw/zinc/01/45/78/467014578.db2.gz QTNWEJBVROTJHK-ZYHUDNBSSA-N 1 0 340.811 2.169 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418537766 467125820 /nfs/dbraw/zinc/12/58/20/467125820.db2.gz JSGKELQKEJWCQG-UHFFFAOYSA-N 1 0 330.388 2.189 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427408725 467155958 /nfs/dbraw/zinc/15/59/58/467155958.db2.gz WKOCSXOZMNELKB-AWEZNQCLSA-N 1 0 331.376 2.931 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000413231681 467193955 /nfs/dbraw/zinc/19/39/55/467193955.db2.gz BWZBHQSEMUMQCJ-OAHLLOKOSA-N 1 0 346.362 2.308 20 5 EEBDRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000419376708 467194804 /nfs/dbraw/zinc/19/48/04/467194804.db2.gz BJMWOPRFFJURRN-LBPRGKRZSA-N 1 0 339.392 2.289 20 5 EEBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(Cc3c([N+](=O)[O-])ncn3C)C1)CCCC2 ZINC000432083032 467214276 /nfs/dbraw/zinc/21/42/76/467214276.db2.gz VMVBPUFEMFESQB-CYBMUJFWSA-N 1 0 344.419 2.159 20 5 EEBDRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429318362 467325326 /nfs/dbraw/zinc/32/53/26/467325326.db2.gz NGZXBJBCXCJYJT-WCQYABFASA-N 1 0 341.367 2.384 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000420307890 467347662 /nfs/dbraw/zinc/34/76/62/467347662.db2.gz JCGGSHBKNNBDNV-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334480 467363346 /nfs/dbraw/zinc/36/33/46/467363346.db2.gz GMSBXMWOZSZGGH-ZFWWWQNUSA-N 1 0 346.431 2.386 20 5 EEBDRO NC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420381103 467386310 /nfs/dbraw/zinc/38/63/10/467386310.db2.gz YVBBIGBIAYHWOW-INIZCTEOSA-N 1 0 334.420 2.421 20 5 EEBDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000434533426 467406844 /nfs/dbraw/zinc/40/68/44/467406844.db2.gz RLFDLGNEWYTFKE-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420477215 467419684 /nfs/dbraw/zinc/41/96/84/467419684.db2.gz ZOOBTCNADNXENN-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420476805 467419703 /nfs/dbraw/zinc/41/97/03/467419703.db2.gz YVXRIGWXRSUTLO-UWVGGRQHSA-N 1 0 347.824 2.044 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000391660563 467421642 /nfs/dbraw/zinc/42/16/42/467421642.db2.gz KCOJJTYYKCQYRT-UKRRQHHQSA-N 1 0 332.404 2.193 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430607515 467450076 /nfs/dbraw/zinc/45/00/76/467450076.db2.gz YVIAQTUBYKUKGF-LBPRGKRZSA-N 1 0 331.376 2.076 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405351798 467480798 /nfs/dbraw/zinc/48/07/98/467480798.db2.gz OPTUBURCHNYOQF-FZMZJTMJSA-N 1 0 341.433 2.041 20 5 EEBDRO Cn1cc(C[NH2+]CCC2(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449577140 467665332 /nfs/dbraw/zinc/66/53/32/467665332.db2.gz COQOOWMANFGURR-UHFFFAOYSA-N 1 0 330.388 2.248 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449640594 467673806 /nfs/dbraw/zinc/67/38/06/467673806.db2.gz BJEPJOLMBWTXGO-GHMZBOCLSA-N 1 0 344.371 2.096 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086963 467749115 /nfs/dbraw/zinc/74/91/15/467749115.db2.gz PEJDRZQPIKVXDR-UHFFFAOYSA-N 1 0 348.325 2.412 20 5 EEBDRO COC(=O)CN1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000450538744 467866111 /nfs/dbraw/zinc/86/61/11/467866111.db2.gz IFKXVTSGXXKLCI-LBPRGKRZSA-N 1 0 339.367 2.339 20 5 EEBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000450814535 467912926 /nfs/dbraw/zinc/91/29/26/467912926.db2.gz VXSGDFAZPCCHQF-AWEZNQCLSA-N 1 0 329.404 2.287 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530715807 468004178 /nfs/dbraw/zinc/00/41/78/468004178.db2.gz DSLZDFFBXNTYMT-CABCVRRESA-N 1 0 347.415 2.231 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000486984506 468017048 /nfs/dbraw/zinc/01/70/48/468017048.db2.gz YDZJFACYQWCUIR-CQSZACIVSA-N 1 0 336.436 2.179 20 5 EEBDRO CC(C)[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000488031064 468067799 /nfs/dbraw/zinc/06/77/99/468067799.db2.gz KEWMWYNOIKVUKV-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488097188 468071304 /nfs/dbraw/zinc/07/13/04/468071304.db2.gz GEHMLFMVAITAFE-CQSZACIVSA-N 1 0 344.415 2.070 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000517584463 468090153 /nfs/dbraw/zinc/09/01/53/468090153.db2.gz USHDYTKENJBLPY-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000490705645 468238315 /nfs/dbraw/zinc/23/83/15/468238315.db2.gz PEUQZCAQDARMIS-QGZVFWFLSA-N 1 0 325.368 2.050 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000570081521 468587963 /nfs/dbraw/zinc/58/79/63/468587963.db2.gz CKZHJNAGYZYAQX-NSHDSACASA-N 1 0 345.186 2.249 20 5 EEBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583079787 468640669 /nfs/dbraw/zinc/64/06/69/468640669.db2.gz LNMBJBLTNBMSTD-XJKSGUPXSA-N 1 0 346.383 2.261 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597698165 468642883 /nfs/dbraw/zinc/64/28/83/468642883.db2.gz GKLFJGJNKGJNKA-CABZTGNLSA-N 1 0 343.330 2.361 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000597709600 468647316 /nfs/dbraw/zinc/64/73/16/468647316.db2.gz ZTFKBJATWFCKIK-UHFFFAOYSA-N 1 0 331.294 2.247 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(C[NH+](C)C)C1 ZINC000597709546 468647413 /nfs/dbraw/zinc/64/74/13/468647413.db2.gz XLVQXRRVWBLBOO-SNVBAGLBSA-N 1 0 341.795 2.036 20 5 EEBDRO C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182955 468647468 /nfs/dbraw/zinc/64/74/68/468647468.db2.gz DSJHJSVENWSGSJ-CQSZACIVSA-N 1 0 347.415 2.449 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592254895 468665542 /nfs/dbraw/zinc/66/55/42/468665542.db2.gz LAINGEOVYFWBSZ-ZIAGYGMSSA-N 1 0 347.415 2.455 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597860248 468696244 /nfs/dbraw/zinc/69/62/44/468696244.db2.gz MOXNEUMJZIIQLM-NSHDSACASA-N 1 0 349.387 2.174 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000583481123 468703238 /nfs/dbraw/zinc/70/32/38/468703238.db2.gz OQEJYBUDZFZXIM-CQSZACIVSA-N 1 0 335.404 2.453 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000595018558 468743565 /nfs/dbraw/zinc/74/35/65/468743565.db2.gz RVHRMDQGHPCCCM-CYBMUJFWSA-N 1 0 337.420 2.101 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595093307 468757308 /nfs/dbraw/zinc/75/73/08/468757308.db2.gz ZFSMAQVRMLGMLP-OCCSQVGLSA-N 1 0 335.404 2.310 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2ccnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601156587 468764303 /nfs/dbraw/zinc/76/43/03/468764303.db2.gz ZCKADVNBASHFAQ-AWEZNQCLSA-N 1 0 344.415 2.478 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000601221722 468787167 /nfs/dbraw/zinc/78/71/67/468787167.db2.gz QKEZRZMNECSDHU-DZGCQCFKSA-N 1 0 342.399 2.421 20 5 EEBDRO CCOc1cc(NC(=O)N[C@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000595231815 468789249 /nfs/dbraw/zinc/78/92/49/468789249.db2.gz KFTJOFXZMKHDEY-SNVBAGLBSA-N 1 0 340.380 2.122 20 5 EEBDRO CC(C)CNC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595291323 468802510 /nfs/dbraw/zinc/80/25/10/468802510.db2.gz QJRXZVSNVSYHOV-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCO[C@H]21 ZINC000584323118 468843676 /nfs/dbraw/zinc/84/36/76/468843676.db2.gz YSVYXUVDRJAEDY-ZJIFWQFVSA-N 1 0 345.399 2.103 20 5 EEBDRO COC(=O)CC1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000593057881 468855626 /nfs/dbraw/zinc/85/56/26/468855626.db2.gz XBEOFEVVCWJAMW-UHFFFAOYSA-N 1 0 345.355 2.478 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601401445 468858718 /nfs/dbraw/zinc/85/87/18/468858718.db2.gz PRGLEJCRTFWZBG-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO C[C@H](CO)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000593084053 468864718 /nfs/dbraw/zinc/86/47/18/468864718.db2.gz PLAZERBRSUZJEY-CYBMUJFWSA-N 1 0 335.404 2.264 20 5 EEBDRO COc1cc(C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000593110729 468874721 /nfs/dbraw/zinc/87/47/21/468874721.db2.gz ZTFHDNMIFZXXEZ-VIFPVBQESA-N 1 0 334.319 2.408 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593113501 468875553 /nfs/dbraw/zinc/87/55/53/468875553.db2.gz YGMAPMYONIEZKG-GFCCVEGCSA-N 1 0 337.395 2.465 20 5 EEBDRO CCC[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585582 468903543 /nfs/dbraw/zinc/90/35/43/468903543.db2.gz LOEAUEGICDKVSR-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO Cn1ccnc1[C@H](NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000593323052 468937959 /nfs/dbraw/zinc/93/79/59/468937959.db2.gz OQEBHLFPJZKOFK-QGZVFWFLSA-N 1 0 343.431 2.397 20 5 EEBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595671424 468946887 /nfs/dbraw/zinc/94/68/87/468946887.db2.gz GFVIQJAYKXYLJP-CJNGLKHVSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595671423 468947522 /nfs/dbraw/zinc/94/75/22/468947522.db2.gz GFVIQJAYKXYLJP-BBRMVZONSA-N 1 0 335.404 2.041 20 5 EEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000598669705 468952525 /nfs/dbraw/zinc/95/25/25/468952525.db2.gz NLQFNNYTHVIDRJ-DYVFJYSZSA-N 1 0 332.404 2.127 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680826 468957780 /nfs/dbraw/zinc/95/77/80/468957780.db2.gz DRFANFHOLXZVPU-GUYCJALGSA-N 1 0 332.404 2.045 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3CCO)CC2)cn1 ZINC000602623177 468971087 /nfs/dbraw/zinc/97/10/87/468971087.db2.gz FVCPABQHOMFNHS-CJNGLKHVSA-N 1 0 334.420 2.099 20 5 EEBDRO CCC(O)(CC)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602630898 468978291 /nfs/dbraw/zinc/97/82/91/468978291.db2.gz ONUYVRZOYPEVFI-UHFFFAOYSA-N 1 0 336.436 2.489 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602639255 468982095 /nfs/dbraw/zinc/98/20/95/468982095.db2.gz IESIDJKUMMKLIJ-ZANVPECISA-N 1 0 334.294 2.243 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610577037 469007720 /nfs/dbraw/zinc/00/77/20/469007720.db2.gz ZKKPYVORFFCIFB-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CCOC(=O)c1ccnc(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593514854 469012270 /nfs/dbraw/zinc/01/22/70/469012270.db2.gz BLLVQKKILZNVBH-UHFFFAOYSA-N 1 0 336.392 2.089 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714607 469047641 /nfs/dbraw/zinc/04/76/41/469047641.db2.gz VMHKVZIXJSLRAW-MGPLVRAMSA-N 1 0 328.372 2.289 20 5 EEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)cc1 ZINC000601881149 469074910 /nfs/dbraw/zinc/07/49/10/469074910.db2.gz SIIZYOHEDFTPHT-CQSZACIVSA-N 1 0 328.372 2.236 20 5 EEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 ZINC000610826327 469081257 /nfs/dbraw/zinc/08/12/57/469081257.db2.gz WELYFPVSZWGPQE-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000602798159 469083138 /nfs/dbraw/zinc/08/31/38/469083138.db2.gz MYAICULGNHGGQL-UHFFFAOYSA-N 1 0 329.404 2.449 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC(C)(C)[NH3+] ZINC000595959187 469096619 /nfs/dbraw/zinc/09/66/19/469096619.db2.gz CDWNZYHSPLBCID-VIFPVBQESA-N 1 0 329.784 2.211 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000596000709 469111656 /nfs/dbraw/zinc/11/16/56/469111656.db2.gz NQTVNCHRIRMUAJ-VIFPVBQESA-N 1 0 325.674 2.210 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CCSCC2)c1 ZINC000563001121 469131746 /nfs/dbraw/zinc/13/17/46/469131746.db2.gz ZZGFNOSCJMPCFN-CQSZACIVSA-N 1 0 326.418 2.067 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602071178 469173171 /nfs/dbraw/zinc/17/31/71/469173171.db2.gz CFLQPZOLKXLZRP-OAHLLOKOSA-N 1 0 333.388 2.237 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602071177 469173251 /nfs/dbraw/zinc/17/32/51/469173251.db2.gz CFLQPZOLKXLZRP-HNNXBMFYSA-N 1 0 333.388 2.237 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000602959557 469190568 /nfs/dbraw/zinc/19/05/68/469190568.db2.gz XDEHNSCJICTBDC-ZDUSSCGKSA-N 1 0 335.408 2.058 20 5 EEBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596271065 469228449 /nfs/dbraw/zinc/22/84/49/469228449.db2.gz NLQAWQKHYCWZAY-UHFFFAOYSA-N 1 0 348.428 2.323 20 5 EEBDRO Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000596439462 469266981 /nfs/dbraw/zinc/26/69/81/469266981.db2.gz BXTQLOYCPFLVJR-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EEBDRO COCC[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611707033 469306891 /nfs/dbraw/zinc/30/68/91/469306891.db2.gz DFWSLKVIHGPSDD-UHFFFAOYSA-N 1 0 331.376 2.061 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602430064 469313199 /nfs/dbraw/zinc/31/31/99/469313199.db2.gz VHHABVPLCHYSSG-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000611825172 469330448 /nfs/dbraw/zinc/33/04/48/469330448.db2.gz VWOVUSPYVGCKOY-CYBMUJFWSA-N 1 0 334.376 2.209 20 5 EEBDRO O=C(NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602503313 469341674 /nfs/dbraw/zinc/34/16/74/469341674.db2.gz LXHOXYLYBLHRJL-UHFFFAOYSA-N 1 0 348.222 2.035 20 5 EEBDRO Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931101 469346789 /nfs/dbraw/zinc/34/67/89/469346789.db2.gz RYXFHROLAUXDAB-CYBMUJFWSA-N 1 0 326.356 2.262 20 5 EEBDRO Cc1nn(C)c(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602526978 469350715 /nfs/dbraw/zinc/35/07/15/469350715.db2.gz PNTDSCBLRLIOSG-UHFFFAOYSA-N 1 0 344.419 2.099 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000616014436 469353725 /nfs/dbraw/zinc/35/37/25/469353725.db2.gz VISAUQUPSWOEFL-NVXWUHKLSA-N 1 0 337.395 2.467 20 5 EEBDRO CS(=O)(=O)Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602585294 469371568 /nfs/dbraw/zinc/37/15/68/469371568.db2.gz DCJYDKQUSYFXAH-UHFFFAOYSA-N 1 0 348.424 2.472 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000604504649 469484236 /nfs/dbraw/zinc/48/42/36/469484236.db2.gz QTGSPAMHFJJOIZ-MGPQQGTHSA-N 1 0 334.420 2.411 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000619531128 469632878 /nfs/dbraw/zinc/63/28/78/469632878.db2.gz LZRJPBDVADBTGE-QGZVFWFLSA-N 1 0 349.431 2.290 20 5 EEBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000619816760 469685738 /nfs/dbraw/zinc/68/57/38/469685738.db2.gz CMVLUWJKBYGCQB-ZDUSSCGKSA-N 1 0 344.419 2.404 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@H](n2ccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258023 469907281 /nfs/dbraw/zinc/90/72/81/469907281.db2.gz IQOAZDSIUCTBOD-INIZCTEOSA-N 1 0 343.387 2.457 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000610238863 469991069 /nfs/dbraw/zinc/99/10/69/469991069.db2.gz YYZLBVCRICILKN-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610404061 470011900 /nfs/dbraw/zinc/01/19/00/470011900.db2.gz QAVIBKBGWXHGSA-CYBMUJFWSA-N 1 0 334.420 2.167 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000534636486 485550435 /nfs/dbraw/zinc/55/04/35/485550435.db2.gz GGWBQDPWCKZPLW-OAHLLOKOSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602570803 485644048 /nfs/dbraw/zinc/64/40/48/485644048.db2.gz UFAHYNSVXAYLFC-KBPBESRZSA-N 1 0 334.420 2.363 20 5 EEBDRO Cc1nn(CCC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000429476817 485695107 /nfs/dbraw/zinc/69/51/07/485695107.db2.gz AHRTUOXJTHHFKS-NSHDSACASA-N 1 0 345.403 2.134 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000131536371 533904982 /nfs/dbraw/zinc/90/49/82/533904982.db2.gz HQXIEXYIPQJPAV-AWEZNQCLSA-N 1 0 332.356 2.002 20 5 EEBDRO CC(C)([NH3+])c1noc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000420357205 527259236 /nfs/dbraw/zinc/25/92/36/527259236.db2.gz HQSHQYHIJFIONT-UHFFFAOYSA-N 1 0 331.376 2.336 20 5 EEBDRO CCC[N@H+](CC)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181519407 527981999 /nfs/dbraw/zinc/98/19/99/527981999.db2.gz WDOCOIQNWUBDCF-UHFFFAOYSA-N 1 0 335.451 2.204 20 5 EEBDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685569 528683706 /nfs/dbraw/zinc/68/37/06/528683706.db2.gz PDIBAMULJRWSGG-UONOGXRCSA-N 1 0 337.420 2.485 20 5 EEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](CC)CC)CC(C)C)c1[N+](=O)[O-] ZINC000264429495 535998172 /nfs/dbraw/zinc/99/81/72/535998172.db2.gz QBQRWTVFQMYPQW-UHFFFAOYSA-N 1 0 339.440 2.320 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451788482 536419685 /nfs/dbraw/zinc/41/96/85/536419685.db2.gz KYZIIWNKOAEUPG-UONOGXRCSA-N 1 0 340.420 2.063 20 5 EEBDRO COC(=O)c1cc(NC(=O)CCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000237184955 536529519 /nfs/dbraw/zinc/52/95/19/536529519.db2.gz YJWOXWYAHDLYNN-UHFFFAOYSA-N 1 0 335.360 2.100 20 5 EEBDRO COCCC[NH+]1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000726967961 576362418 /nfs/dbraw/zinc/36/24/18/576362418.db2.gz KRRRECUUBVTOAN-UHFFFAOYSA-N 1 0 333.392 2.155 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000728198474 576482286 /nfs/dbraw/zinc/48/22/86/576482286.db2.gz HBCMYMDAUGBYNI-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000732567286 577184762 /nfs/dbraw/zinc/18/47/62/577184762.db2.gz HTVIVCBHBATPIN-SNVBAGLBSA-N 1 0 340.380 2.446 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773103990 577315956 /nfs/dbraw/zinc/31/59/56/577315956.db2.gz CXWZEUCTKJRQEK-LBPRGKRZSA-N 1 0 347.337 2.467 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCNc2ncccn2)n1 ZINC000774220288 577389797 /nfs/dbraw/zinc/38/97/97/577389797.db2.gz VMIMDKCQAKJVHS-UONOGXRCSA-N 1 0 345.407 2.157 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770690082 577601750 /nfs/dbraw/zinc/60/17/50/577601750.db2.gz VXFDVKZHWYABFS-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CN(C)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000754065989 577799586 /nfs/dbraw/zinc/79/95/86/577799586.db2.gz KEXSJIVCFKELTM-AWEZNQCLSA-N 1 0 342.403 2.137 20 5 EEBDRO C[C@H]1CCCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000755273836 577822805 /nfs/dbraw/zinc/82/28/05/577822805.db2.gz IKXZNZAVMHZHBD-LBPRGKRZSA-N 1 0 332.360 2.491 20 5 EEBDRO Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000743262086 577882365 /nfs/dbraw/zinc/88/23/65/577882365.db2.gz PNGBIAMCBBYPPH-QGZVFWFLSA-N 1 0 342.399 2.154 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000743639566 577888247 /nfs/dbraw/zinc/88/82/47/577888247.db2.gz WGVBSLCZIZECLI-CABZTGNLSA-N 1 0 336.348 2.024 20 5 EEBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000744439640 577897842 /nfs/dbraw/zinc/89/78/42/577897842.db2.gz BGDKBGORUQHQSH-STQMWFEESA-N 1 0 346.387 2.441 20 5 EEBDRO C[C@@H]1C[C@H](C)[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000740859771 578108238 /nfs/dbraw/zinc/10/82/38/578108238.db2.gz MQNCDWKQKXYKNE-NEPJUHHUSA-N 1 0 332.360 2.051 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000736137195 578182794 /nfs/dbraw/zinc/18/27/94/578182794.db2.gz IREDYSWYZKWSLY-SNVBAGLBSA-N 1 0 333.396 2.163 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823647107 606224023 /nfs/dbraw/zinc/22/40/23/606224023.db2.gz FZWQSZWNMKYYJL-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC001020780993 675491189 /nfs/dbraw/zinc/49/11/89/675491189.db2.gz BXROPMZCLIANEF-HDJSIYSDSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1F ZINC001021922577 676549818 /nfs/dbraw/zinc/54/98/18/676549818.db2.gz XZEJQHBFCRAYAF-BETUJISGSA-N 1 0 344.346 2.180 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000023848445 676572530 /nfs/dbraw/zinc/57/25/30/676572530.db2.gz GWJMPDDLYNIFHY-UHFFFAOYSA-N 1 0 338.371 2.119 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000178764512 681543320 /nfs/dbraw/zinc/54/33/20/681543320.db2.gz MKDKGTWNXNAZGE-CYBMUJFWSA-N 1 0 332.404 2.067 20 5 EEBDRO C[NH+](C)C[C@@]1(O)CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000894465433 682913223 /nfs/dbraw/zinc/91/32/23/682913223.db2.gz RHZFEKMZJUKUFD-KRWDZBQOSA-N 1 0 348.378 2.175 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892728539 682948129 /nfs/dbraw/zinc/94/81/29/682948129.db2.gz DBRNMRNSZNVUFA-ZDUSSCGKSA-N 1 0 344.415 2.367 20 5 EEBDRO C[C@]1(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[NH+]2CCC1CC2 ZINC000892775855 683030336 /nfs/dbraw/zinc/03/03/36/683030336.db2.gz IVOIOJCXXPIHFH-HNNXBMFYSA-N 1 0 325.315 2.087 20 5 EEBDRO CCC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000126736503 683351887 /nfs/dbraw/zinc/35/18/87/683351887.db2.gz IVMBRNLBINEBAH-OAHLLOKOSA-N 1 0 346.431 2.164 20 5 EEBDRO CCC(=O)c1ccc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894957073 683425486 /nfs/dbraw/zinc/42/54/86/683425486.db2.gz USANKVOHOTYHLF-UHFFFAOYSA-N 1 0 335.404 2.080 20 5 EEBDRO CS[C@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000893247916 684261402 /nfs/dbraw/zinc/26/14/02/684261402.db2.gz JWRULNLZUQXEAI-STQMWFEESA-N 1 0 349.416 2.147 20 5 EEBDRO CCOCCN1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896288986 684929518 /nfs/dbraw/zinc/92/95/18/684929518.db2.gz NRKPXGFOTQHFMT-UHFFFAOYSA-N 1 0 335.404 2.006 20 5 EEBDRO Cc1conc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000985010713 685675570 /nfs/dbraw/zinc/67/55/70/685675570.db2.gz VVEIXQLASLLALZ-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893446227 687556980 /nfs/dbraw/zinc/55/69/80/687556980.db2.gz GPEFFBPDJRATHO-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO COc1c(O)ccc(CN2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC000897981005 691844038 /nfs/dbraw/zinc/84/40/38/691844038.db2.gz IDCCHIJRALKRHY-UHFFFAOYSA-N 1 0 335.404 2.416 20 5 EEBDRO O=C(CC(F)(F)F)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001752620006 1181965752 /nfs/dbraw/zinc/96/57/52/1181965752.db2.gz OYMCRPGRMHYJEY-XYPYZODXSA-N 1 0 331.294 2.284 20 5 EEBDRO CC(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423453 1186792423 /nfs/dbraw/zinc/79/24/23/1186792423.db2.gz VLJLUGYSMMALOP-MTNOOBJLSA-N 1 0 345.443 2.114 20 5 EEBDRO C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000814649067 1199643147 /nfs/dbraw/zinc/64/31/47/1199643147.db2.gz IUSGUHYCRGLOSS-MSOLQXFVSA-N 1 0 330.384 2.164 20 5 EEBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839564 1199775016 /nfs/dbraw/zinc/77/50/16/1199775016.db2.gz XIRQTUDLDQZJFS-ZFWWWQNUSA-N 1 0 344.371 2.115 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000812883344 1200969158 /nfs/dbraw/zinc/96/91/58/1200969158.db2.gz STUDCISPZPQKCI-OALUTQOASA-N 1 0 342.395 2.264 20 5 EEBDRO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870953443 1200974764 /nfs/dbraw/zinc/97/47/64/1200974764.db2.gz YWOOXQXHBNECOY-KRWDZBQOSA-N 1 0 349.431 2.255 20 5 EEBDRO CC(C)(O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000879627522 1201178718 /nfs/dbraw/zinc/17/87/18/1201178718.db2.gz IRBBPWUSYMBUHA-UHFFFAOYSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879999006 1201342680 /nfs/dbraw/zinc/34/26/80/1201342680.db2.gz FKZAIVJPZRGSLM-HNNXBMFYSA-N 1 0 334.351 2.392 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880210188 1201422516 /nfs/dbraw/zinc/42/25/16/1201422516.db2.gz NTPGNCQVHQMXOI-INIZCTEOSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@]2(CCCOC2)O1 ZINC000794903577 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Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139662 1229505361 /nfs/dbraw/zinc/50/53/61/1229505361.db2.gz KRQJVAZFAZKONL-RTWAVKEYSA-N 1 0 337.807 2.050 20 5 EEBDRO CC1(NC(=O)c2cocn2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045381498 1233707279 /nfs/dbraw/zinc/70/72/79/1233707279.db2.gz MAQUVCDEWIMISR-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO CCc1ccccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436232 1233744289 /nfs/dbraw/zinc/74/42/89/1233744289.db2.gz NTEDNVFWEMEBES-IAGOWNOFSA-N 1 0 345.443 2.385 20 5 EEBDRO O=C(CC1CC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048640687 1238164059 /nfs/dbraw/zinc/16/40/59/1238164059.db2.gz ZBIRBRZVDDOMMM-IYBDPMFKSA-N 1 0 329.400 2.285 20 5 EEBDRO CCc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399226 1242196855 /nfs/dbraw/zinc/19/68/55/1242196855.db2.gz JRUIUELKNSFCRH-QZTJIDSGSA-N 1 0 345.443 2.242 20 5 EEBDRO 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CC(=O)NC1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000784542087 1304497794 /nfs/dbraw/zinc/49/77/94/1304497794.db2.gz PDQFNMLNFOVZFU-VMBOVVBDSA-N 1 0 335.404 2.007 20 5 EEBDRO COCCC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001233576756 1304518399 /nfs/dbraw/zinc/51/83/99/1304518399.db2.gz AGAADHLLGOHZAR-UHFFFAOYSA-N 1 0 339.348 2.383 20 5 EEBDRO Cc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Br)c1 ZINC001234241866 1304819168 /nfs/dbraw/zinc/81/91/68/1304819168.db2.gz WQBFKVSTYGQLKR-SNVBAGLBSA-N 1 0 349.220 2.259 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]([NH3+])CC(F)(F)C2)c1F ZINC001246596137 1310353841 /nfs/dbraw/zinc/35/38/41/1310353841.db2.gz ZJSLSACBZKJANK-ZJUUUORDSA-N 1 0 347.337 2.342 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246942310 1310473649 /nfs/dbraw/zinc/47/36/49/1310473649.db2.gz HERIKTJLPWOLCS-SDDRHHMPSA-N 1 0 325.384 2.356 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC001247859135 1310751786 /nfs/dbraw/zinc/75/17/86/1310751786.db2.gz HZELWWFFIMOJJT-LLVKDONJSA-N 1 0 349.322 2.010 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001161105693 1320385045 /nfs/dbraw/zinc/38/50/45/1320385045.db2.gz NQBHMWNIYXJAGY-UHFFFAOYSA-N 1 0 328.376 2.044 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000830355633 1314534850 /nfs/dbraw/zinc/53/48/50/1314534850.db2.gz LCCIQCCXVIXNBQ-IRXDYDNUSA-N 1 0 334.347 2.481 20 5 EEBDRO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000836939761 1315043770 /nfs/dbraw/zinc/04/37/70/1315043770.db2.gz YLPKOIGLMHYIKS-YOGCLGLASA-N 1 0 348.359 2.166 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000838095946 1315137917 /nfs/dbraw/zinc/13/79/17/1315137917.db2.gz PMQXSQHUNDQPJL-UHFFFAOYSA-N 1 0 341.339 2.191 20 5 EEBDRO CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC000841855196 1315624795 /nfs/dbraw/zinc/62/47/95/1315624795.db2.gz IBEQAQUKNZHNEA-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000843118561 1315847380 /nfs/dbraw/zinc/84/73/80/1315847380.db2.gz MIRGNTQKGUYXRZ-QRVBRYPASA-N 1 0 342.395 2.384 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000843354151 1315897710 /nfs/dbraw/zinc/89/77/10/1315897710.db2.gz VHOUKOPJUVKQNE-QMTHXVAHSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843355358 1315898897 /nfs/dbraw/zinc/89/88/97/1315898897.db2.gz YGOAKXRQWMVYDF-CQSZACIVSA-N 1 0 340.399 2.368 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843376898 1315903936 /nfs/dbraw/zinc/90/39/36/1315903936.db2.gz GOLMZRFEFBYCFT-GXFFZTMASA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843471023 1315919987 /nfs/dbraw/zinc/91/99/87/1315919987.db2.gz KKTYVDWZZISCOR-JQWIXIFHSA-N 1 0 336.348 2.011 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000843508984 1315925872 /nfs/dbraw/zinc/92/58/72/1315925872.db2.gz AGOMRDBULWRAPV-UHFFFAOYSA-N 1 0 331.376 2.029 20 5 EEBDRO COc1cccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001149791842 1316050014 /nfs/dbraw/zinc/05/00/14/1316050014.db2.gz FOWJERKUPTWMOV-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO O=C(CCCn1cccc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001152026598 1316622867 /nfs/dbraw/zinc/62/28/67/1316622867.db2.gz OORCGLZVSSXYRW-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001155228005 1317512376 /nfs/dbraw/zinc/51/23/76/1317512376.db2.gz WHRQQMISXXYDPQ-NSHDSACASA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc21 ZINC001155543381 1317645357 /nfs/dbraw/zinc/64/53/57/1317645357.db2.gz FSYSMDMKRZUWBY-RFAUZJTJSA-N 1 0 334.763 2.339 20 5 EEBDRO CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254469211 1318081703 /nfs/dbraw/zinc/08/17/03/1318081703.db2.gz ZBPAXYPCTVQGSH-LRDDRELGSA-N 1 0 334.420 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)[C@@H](F)CC3)CC2)cc1 ZINC001254474099 1318082817 /nfs/dbraw/zinc/08/28/17/1318082817.db2.gz LSMPZDUVYSHBFS-IRXDYDNUSA-N 1 0 337.395 2.358 20 5 EEBDRO COC(=O)C1CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469590 1318083157 /nfs/dbraw/zinc/08/31/57/1318083157.db2.gz QWJNMMNZGBMMPG-UHFFFAOYSA-N 1 0 347.415 2.352 20 5 EEBDRO CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254481290 1318084183 /nfs/dbraw/zinc/08/41/83/1318084183.db2.gz ANQPXOYCCRZYPL-GOSISDBHSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccccc1C(N)=O ZINC001254546605 1318117097 /nfs/dbraw/zinc/11/70/97/1318117097.db2.gz HIJSJAUTIVRGDH-ZDUSSCGKSA-N 1 0 343.383 2.293 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2ncc(Cl)cc2[N+](=O)[O-])COC1 ZINC001156628458 1318118610 /nfs/dbraw/zinc/11/86/10/1318118610.db2.gz UKEQZOAXSDCXLZ-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO CCOC(=O)CN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254549124 1318119063 /nfs/dbraw/zinc/11/90/63/1318119063.db2.gz RVSYBABTAGTMNN-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001254563623 1318122205 /nfs/dbraw/zinc/12/22/05/1318122205.db2.gz ZRFUOXQAEQAHDN-NVXWUHKLSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC001254560908 1318122740 /nfs/dbraw/zinc/12/27/40/1318122740.db2.gz ZIUHBDSBXMAXFC-QGZVFWFLSA-N 1 0 346.475 2.239 20 5 EEBDRO Cc1cc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]2CC[NH2+]C2)ncn1 ZINC001254567316 1318124839 /nfs/dbraw/zinc/12/48/39/1318124839.db2.gz BDFOSYPMUDJNAF-ZBFHGGJFSA-N 1 0 341.415 2.493 20 5 EEBDRO COC(=O)c1cccnc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578064 1318128747 /nfs/dbraw/zinc/12/87/47/1318128747.db2.gz IURLCDYSWKPRFT-ZDUSSCGKSA-N 1 0 327.340 2.033 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC001256086644 1318642584 /nfs/dbraw/zinc/64/25/84/1318642584.db2.gz AHAXSFCZHSNFFH-WBVHZDCISA-N 1 0 349.431 2.465 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC001256084663 1318643591 /nfs/dbraw/zinc/64/35/91/1318643591.db2.gz FCXJHIKAKMWXSD-UHFFFAOYSA-N 1 0 345.403 2.059 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@@H]4C[C@H]3CO4)CC2)ccc1[N+](=O)[O-] ZINC001256098448 1318647481 /nfs/dbraw/zinc/64/74/81/1318647481.db2.gz ATTPDIGRQNVHMN-GJZGRUSLSA-N 1 0 333.388 2.045 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157896556 1318921648 /nfs/dbraw/zinc/92/16/48/1318921648.db2.gz FUBWUGBWMYWOAR-UHFFFAOYSA-N 1 0 349.354 2.220 20 5 EEBDRO Cc1ncn(-c2nc(C)nc(Cl)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961846 1318949545 /nfs/dbraw/zinc/94/95/45/1318949545.db2.gz PMYVZNSUQOFNNN-UHFFFAOYSA-N 1 0 342.812 2.033 20 5 EEBDRO CSc1nc(Cl)nc(N(C(C)C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158024791 1318974440 /nfs/dbraw/zinc/97/44/40/1318974440.db2.gz BXFAFTGMPDKXGF-MRVPVSSYSA-N 1 0 331.829 2.337 20 5 EEBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159590053 1319904195 /nfs/dbraw/zinc/90/41/95/1319904195.db2.gz HTUDKOBYMMXFAN-NSHDSACASA-N 1 0 325.328 2.101 20 5 EEBDRO Cc1ccncc1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001160203891 1320098318 /nfs/dbraw/zinc/09/83/18/1320098318.db2.gz HTOSBKPQNFZADW-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO COc1cccc(C2(Nc3ncc([N+](=O)[O-])cc3N)CC[NH2+]CC2)c1 ZINC001161996094 1320713128 /nfs/dbraw/zinc/71/31/28/1320713128.db2.gz CNCNBIGFSTUWRZ-UHFFFAOYSA-N 1 0 343.387 2.271 20 5 EEBDRO [NH3+]Cc1cccc(-c2cncn2-c2nc(Cl)ncc2[N+](=O)[O-])c1 ZINC001162561879 1320897909 /nfs/dbraw/zinc/89/79/09/1320897909.db2.gz GAGNPVOMMHQYBP-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO CC(C)(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001162634649 1320917805 /nfs/dbraw/zinc/91/78/05/1320917805.db2.gz IYYMQEPFXPVKCL-UHFFFAOYSA-N 1 0 341.371 2.145 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162733972 1320944159 /nfs/dbraw/zinc/94/41/59/1320944159.db2.gz WTPPXTLGYONBMF-CYBMUJFWSA-N 1 0 345.346 2.416 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163064175 1321027077 /nfs/dbraw/zinc/02/70/77/1321027077.db2.gz UBKZWZCMTXJBPN-GFCCVEGCSA-N 1 0 340.387 2.494 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163087188 1321031914 /nfs/dbraw/zinc/03/19/14/1321031914.db2.gz HPEMBPKGRACUMT-NSHDSACASA-N 1 0 346.362 2.463 20 5 EEBDRO CC[NH+](CC)CCNC(=N)Nc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001163126974 1321044012 /nfs/dbraw/zinc/04/40/12/1321044012.db2.gz WHAYJMYCDXOABP-UHFFFAOYSA-N 1 0 328.804 2.230 20 5 EEBDRO CSCC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163304167 1321091786 /nfs/dbraw/zinc/09/17/86/1321091786.db2.gz LRJLGQRNBRTUJT-UHFFFAOYSA-N 1 0 343.474 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001163304353 1321092083 /nfs/dbraw/zinc/09/20/83/1321092083.db2.gz IDQNJHRPPJLDQF-GUYCJALGSA-N 1 0 328.372 2.466 20 5 EEBDRO CC(C)OCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163699237 1321196384 /nfs/dbraw/zinc/19/63/84/1321196384.db2.gz SLXGYBPSKMEMHH-UHFFFAOYSA-N 1 0 349.431 2.396 20 5 EEBDRO COc1ncc([N+](=O)[O-])c(-n2c(C)c(C)c3cc(C[NH3+])ccc32)n1 ZINC001163755877 1321209897 /nfs/dbraw/zinc/20/98/97/1321209897.db2.gz NKGOJBUYOGYALJ-UHFFFAOYSA-N 1 0 327.344 2.413 20 5 EEBDRO Cc1cc(C[NH3+])nn1-c1nc(C)c(Br)c(C)c1[N+](=O)[O-] ZINC001163986222 1321262947 /nfs/dbraw/zinc/26/29/47/1321262947.db2.gz XUZMQLRCSJDCNF-UHFFFAOYSA-N 1 0 340.181 2.322 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165132940 1321462275 /nfs/dbraw/zinc/46/22/75/1321462275.db2.gz ZERCZYXJIBHYDB-UHFFFAOYSA-N 1 0 340.811 2.334 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)nc1Cl ZINC001166700236 1321769312 /nfs/dbraw/zinc/76/93/12/1321769312.db2.gz CWUMDJYGHVYSKJ-VIFPVBQESA-N 1 0 334.767 2.041 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001261550986 1322131213 /nfs/dbraw/zinc/13/12/13/1322131213.db2.gz SUZKYQSCNONKQM-JKSUJKDBSA-N 1 0 332.404 2.383 20 5 EEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1COCCO1 ZINC001261642061 1322146940 /nfs/dbraw/zinc/14/69/40/1322146940.db2.gz UZTQVUWPAYJVQC-GFCCVEGCSA-N 1 0 345.193 2.205 20 5 EEBDRO CC(C)OCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204687358 1322209976 /nfs/dbraw/zinc/20/99/76/1322209976.db2.gz WUUIXSKDWCDOSN-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO CC/C(C)=C\C(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001205196345 1322310045 /nfs/dbraw/zinc/31/00/45/1322310045.db2.gz LXZRSXQSBLNYPV-LCYFTJDESA-N 1 0 349.435 2.013 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1ncccc1N1CC[NH+](C)CC1 ZINC001210444676 1325287148 /nfs/dbraw/zinc/28/71/48/1325287148.db2.gz MRXNGYOROPKSGA-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001321744299 1333151826 /nfs/dbraw/zinc/15/18/26/1333151826.db2.gz RFHGHUKEBNWHRY-HUUCEWRRSA-N 1 0 349.435 2.179 20 5 EEBDRO CC(C)(CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001609084335 1351835107 /nfs/dbraw/zinc/83/51/07/1351835107.db2.gz VLJOVVFYAUXBBL-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001326075507 1334023397 /nfs/dbraw/zinc/02/33/97/1334023397.db2.gz NKBBSZRELAPSHG-QMMMGPOBSA-N 1 0 330.182 2.085 20 5 EEBDRO CCc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])cc1[N+](=O)[O-] ZINC001326207213 1334043718 /nfs/dbraw/zinc/04/37/18/1334043718.db2.gz DEOKNHKOJJXRFH-UHFFFAOYSA-N 1 0 349.412 2.094 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccn(-c2cc[nH+]cc2)n1 ZINC001326786264 1334159868 /nfs/dbraw/zinc/15/98/68/1334159868.db2.gz DBJNARZBHNVHLH-UHFFFAOYSA-N 1 0 337.339 2.148 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C[C@H]21 ZINC001329175628 1334601236 /nfs/dbraw/zinc/60/12/36/1334601236.db2.gz XQLWQTVDURQQEU-YABSGUDNSA-N 1 0 333.779 2.188 20 5 EEBDRO CC[C@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001329433606 1334650486 /nfs/dbraw/zinc/65/04/86/1334650486.db2.gz PKMRNEYJNFQWOX-INIZCTEOSA-N 1 0 331.376 2.274 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001330143428 1334784137 /nfs/dbraw/zinc/78/41/37/1334784137.db2.gz XCSAAWIHANDUBT-ZDUSSCGKSA-N 1 0 332.404 2.352 20 5 EEBDRO CCOC(=O)Cc1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001332081177 1335722138 /nfs/dbraw/zinc/72/21/38/1335722138.db2.gz ZLJMTYIMCLTTRH-AWEZNQCLSA-N 1 0 335.404 2.231 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001609602581 1352031664 /nfs/dbraw/zinc/03/16/64/1352031664.db2.gz WTLSKINLLWHRTD-QMMMGPOBSA-N 1 0 342.281 2.159 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1C ZINC001333643187 1336094624 /nfs/dbraw/zinc/09/46/24/1336094624.db2.gz OJIATZDBMIPBAV-CQSZACIVSA-N 1 0 347.415 2.100 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC001335366489 1336367819 /nfs/dbraw/zinc/36/78/19/1336367819.db2.gz IOYXWPXHMZXDEQ-QGZVFWFLSA-N 1 0 342.399 2.413 20 5 EEBDRO Cc1cccnc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915747 1336447749 /nfs/dbraw/zinc/44/77/49/1336447749.db2.gz BBJABTHOERPGDA-UKRRQHHQSA-N 1 0 331.372 2.389 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001336199046 1336499082 /nfs/dbraw/zinc/49/90/82/1336499082.db2.gz GMTXGXBPQKTVQV-INIZCTEOSA-N 1 0 334.420 2.387 20 5 EEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC001337189031 1336660017 /nfs/dbraw/zinc/66/00/17/1336660017.db2.gz JBMHNJPAGNJUAZ-GUYCJALGSA-N 1 0 344.371 2.177 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001339412144 1337000518 /nfs/dbraw/zinc/00/05/18/1337000518.db2.gz VIZXHNIIBBRBAH-UHFFFAOYSA-N 1 0 347.423 2.123 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001575546473 1343822970 /nfs/dbraw/zinc/82/29/70/1343822970.db2.gz XHPKYZUOMUWRFD-LLVKDONJSA-N 1 0 349.366 2.023 20 5 EEBDRO CC[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC001577279662 1344119756 /nfs/dbraw/zinc/11/97/56/1344119756.db2.gz NIVRPEVLSQMRCC-WCQYABFASA-N 1 0 330.388 2.010 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001579877666 1344424646 /nfs/dbraw/zinc/42/46/46/1344424646.db2.gz XJBSRTAPXNPHSX-CYBMUJFWSA-N 1 0 340.383 2.466 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001579877276 1344425041 /nfs/dbraw/zinc/42/50/41/1344425041.db2.gz HDFPGZUMFBEZRD-JKSUJKDBSA-N 1 0 347.394 2.056 20 5 EEBDRO [NH3+]C[C@@H]1CCc2ccccc2N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001580269491 1344504391 /nfs/dbraw/zinc/50/43/91/1344504391.db2.gz OGVGFDAJSULQBE-FUHWJXTLSA-N 1 0 327.384 2.408 20 5 EEBDRO O=C(N[C@H]1C[NH2+]CC12CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580623581 1344546162 /nfs/dbraw/zinc/54/61/62/1344546162.db2.gz VZXJIRSCNOZMCM-AWEZNQCLSA-N 1 0 338.367 2.139 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001580712105 1344553043 /nfs/dbraw/zinc/55/30/43/1344553043.db2.gz VUFZZCWSFCXDSH-OAHLLOKOSA-N 1 0 347.321 2.204 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605723103 1351218358 /nfs/dbraw/zinc/21/83/58/1351218358.db2.gz ODRZJCJLRGDPHG-UONOGXRCSA-N 1 0 345.407 2.224 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000852554860 1369281683 /nfs/dbraw/zinc/28/16/83/1369281683.db2.gz DYAJTHCQIZVHOI-QGZVFWFLSA-N 1 0 346.431 2.022 20 5 EEBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H](O)c1ccccc1 ZINC000794606363 1369583003 /nfs/dbraw/zinc/58/30/03/1369583003.db2.gz QVKXEZPVOZPGGL-ZWKOTPCHSA-N 1 0 345.399 2.104 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCC[NH+](C)C)CCC2)n1 ZINC001111902139 1371294103 /nfs/dbraw/zinc/29/41/03/1371294103.db2.gz QGCKXYROEJIKIU-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCC[N@H+](C)C2)n1C ZINC001121523694 1371892286 /nfs/dbraw/zinc/89/22/86/1371892286.db2.gz KZFAAMNKKFLSCU-AWEZNQCLSA-N 1 0 344.419 2.169 20 5 EEBDRO C[NH2+][C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001122179247 1371951319 /nfs/dbraw/zinc/95/13/19/1371951319.db2.gz CFJYLOOQYILNPS-KRWDZBQOSA-N 1 0 341.411 2.474 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@H]1C[C@@H](N2CCOCC2)C1 ZINC000838911525 1372875406 /nfs/dbraw/zinc/87/54/06/1372875406.db2.gz COVCFRIHGJQODD-LOACFLACSA-N 1 0 332.356 2.014 20 5 EEBDRO CCOC(=O)CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C(C)C ZINC000848502211 1373155952 /nfs/dbraw/zinc/15/59/52/1373155952.db2.gz PWDLOPPADPRTFH-UHFFFAOYSA-N 1 0 349.391 2.269 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](C)[NH2+]1 ZINC001576792318 1403604673 /nfs/dbraw/zinc/60/46/73/1403604673.db2.gz YCKWJPKQVSFPFC-RKDXNWHRSA-N 1 0 331.294 2.436 20 5 EEBDRO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001577616759 1403665321 /nfs/dbraw/zinc/66/53/21/1403665321.db2.gz XLXAAGGZMIIFAG-LBPRGKRZSA-N 1 0 330.392 2.048 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580609133 1403862866 /nfs/dbraw/zinc/86/28/66/1403862866.db2.gz KFNBVLIFZMXADV-IJLUTSLNSA-N 1 0 328.372 2.194 20 5 EEBDRO Cc1cc(Cl)c(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000846648968 790309613 /nfs/dbraw/zinc/30/96/13/790309613.db2.gz BJSXUWISDQYFJU-UHFFFAOYSA-N 1 0 327.768 2.312 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)n1 ZINC001167159918 757427764 /nfs/dbraw/zinc/42/77/64/757427764.db2.gz HFGHSKXSIXDHRM-UHFFFAOYSA-N 1 0 339.399 2.335 20 5 EEBDRO CCc1oncc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001167462348 759671507 /nfs/dbraw/zinc/67/15/07/759671507.db2.gz OWYFFLNARPWRSO-UHFFFAOYSA-N 1 0 338.389 2.116 20 5 EEBDRO CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892471836 761377891 /nfs/dbraw/zinc/37/78/91/761377891.db2.gz QXOCCUATSLSVBG-CYBMUJFWSA-N 1 0 342.399 2.120 20 5 EEBDRO CC1(C)CCC(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000981137596 776583057 /nfs/dbraw/zinc/58/30/57/776583057.db2.gz ZBGTYRLGUXHJFH-HZPDHXFCSA-N 1 0 337.464 2.402 20 5 EEBDRO CC(C)(C)c1nc[nH]c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127659583 777794427 /nfs/dbraw/zinc/79/44/27/777794427.db2.gz GXZVVHPZDSXBRX-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001112161763 781710227 /nfs/dbraw/zinc/71/02/27/781710227.db2.gz VHJLDZNARDMZHS-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107275626 786687526 /nfs/dbraw/zinc/68/75/26/786687526.db2.gz YNZUGZWWAXSSOK-PLNGDYQASA-N 1 0 334.420 2.411 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000823634475 787838089 /nfs/dbraw/zinc/83/80/89/787838089.db2.gz GZBNKCGGVIWJFY-UHFFFAOYSA-N 1 0 346.372 2.005 20 5 EEBDRO Cc1cnc(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001109653225 805831904 /nfs/dbraw/zinc/83/19/04/805831904.db2.gz OUQVAOSUFFSNJT-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO [NH3+][C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000923377752 789459743 /nfs/dbraw/zinc/45/97/43/789459743.db2.gz BOYFABDVFJMWTM-KSZLIROESA-N 1 0 345.374 2.194 20 5 EEBDRO Cc1ncc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cn1 ZINC001168392966 789498110 /nfs/dbraw/zinc/49/81/10/789498110.db2.gz YPPWRYJRIVEPHU-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923444652 789554560 /nfs/dbraw/zinc/55/45/60/789554560.db2.gz SGMQRXVORWZGTK-MCIONIFRSA-N 1 0 334.420 2.303 20 5 EEBDRO C[C@@H](CNc1cc(Cl)c(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000845480761 789825371 /nfs/dbraw/zinc/82/53/71/789825371.db2.gz NMPPZFPJEJDJIE-JTQLQIEISA-N 1 0 330.791 2.435 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c([nH]1)CCCC2 ZINC001146889678 791562983 /nfs/dbraw/zinc/56/29/83/791562983.db2.gz CIKWXGWBMAIGDW-UHFFFAOYSA-N 1 0 342.399 2.321 20 5 EEBDRO CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147194357 791733234 /nfs/dbraw/zinc/73/32/34/791733234.db2.gz KBOMPFLSJBJAMI-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO Cc1cc(N2CCN(C(=O)CCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001093166684 794799478 /nfs/dbraw/zinc/79/94/78/794799478.db2.gz XWQGWBAJKUAECT-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccn2c[nH+]cc2c1 ZINC001094253535 796042024 /nfs/dbraw/zinc/04/20/24/796042024.db2.gz RYVTZJZHTPZFJX-UHFFFAOYSA-N 1 0 325.328 2.084 20 5 EEBDRO Cc1nc(NCCCNC(=O)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001094455360 796264995 /nfs/dbraw/zinc/26/49/95/796264995.db2.gz OCNVBOOIJUTTTR-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907766 797133207 /nfs/dbraw/zinc/13/32/07/797133207.db2.gz HZJNBBGVSHRELJ-RHSMWYFYSA-N 1 0 336.363 2.429 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC001173005744 797194010 /nfs/dbraw/zinc/19/40/10/797194010.db2.gz JGWQEXMYYPXMPG-WCQYABFASA-N 1 0 341.358 2.345 20 5 EEBDRO COCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007411 797194937 /nfs/dbraw/zinc/19/49/37/797194937.db2.gz NYPMHTVWFFSWSS-UHFFFAOYSA-N 1 0 329.347 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2nc(C)no2)c1F ZINC001173178891 797277829 /nfs/dbraw/zinc/27/78/29/797277829.db2.gz NGJFIMPSZYZHBB-SECBINFHSA-N 1 0 338.339 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1F ZINC001173180142 797278578 /nfs/dbraw/zinc/27/85/78/797278578.db2.gz IRWVCXSJAAMSOI-GYSYKLTISA-N 1 0 326.368 2.376 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCN1C(=O)C=CC1=O ZINC001173216012 797296305 /nfs/dbraw/zinc/29/63/05/797296305.db2.gz GZSBWAQOQRZRPC-AWEZNQCLSA-N 1 0 345.399 2.211 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001173225527 797309878 /nfs/dbraw/zinc/30/98/78/797309878.db2.gz DHLQHKWTQPRLTN-WFASDCNBSA-N 1 0 327.388 2.499 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001095228614 797552166 /nfs/dbraw/zinc/55/21/66/797552166.db2.gz MZRXIBGGJDXEQS-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccns1 ZINC001002935476 798855558 /nfs/dbraw/zinc/85/55/58/798855558.db2.gz VVNSWTVCISAUEQ-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO COCC(=O)N1CCC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040559578 799271181 /nfs/dbraw/zinc/27/11/81/799271181.db2.gz UODSKPPIXXFFPU-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110227602 799751511 /nfs/dbraw/zinc/75/15/11/799751511.db2.gz FLLHESQVDSGAIP-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CSc1nc(Cl)nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001155403480 802412793 /nfs/dbraw/zinc/41/27/93/802412793.db2.gz OJMAJNBBKMMWAV-JVXZTZIISA-N 1 0 329.813 2.457 20 5 EEBDRO Cc1cnoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086523840 803277338 /nfs/dbraw/zinc/27/73/38/803277338.db2.gz LZYDSDYPPOCGMM-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)C1 ZINC001168994083 803561483 /nfs/dbraw/zinc/56/14/83/803561483.db2.gz OTXZUYUBAIMOJC-ZIAGYGMSSA-N 1 0 335.404 2.174 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)C1 ZINC001168998819 803564073 /nfs/dbraw/zinc/56/40/73/803564073.db2.gz QGYOMQHTCSYYKN-ZFWWWQNUSA-N 1 0 337.395 2.304 20 5 EEBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001169007655 803568926 /nfs/dbraw/zinc/56/89/26/803568926.db2.gz OYOFDTHLQYRNDR-CHWSQXEVSA-N 1 0 327.425 2.469 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1ccc(F)cc1 ZINC001169055859 803596797 /nfs/dbraw/zinc/59/67/97/803596797.db2.gz QVUXRPKLJVKOJG-IAOVAPTHSA-N 1 0 349.406 2.465 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ncc2c1cccc2C[NH3+] ZINC001169195686 803645724 /nfs/dbraw/zinc/64/57/24/803645724.db2.gz OJBSKTAYZKKQFT-UHFFFAOYSA-N 1 0 340.339 2.487 20 5 EEBDRO COCc1nn([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001170341352 809915385 /nfs/dbraw/zinc/91/53/85/809915385.db2.gz PJVSKKPOFPHNSF-LLVKDONJSA-N 1 0 346.387 2.353 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CC3(C2)CCN(C(C)=O)C3)c([N+](=O)[O-])c1 ZINC001170343736 809915529 /nfs/dbraw/zinc/91/55/29/809915529.db2.gz RUTBJTSSUAILSQ-ZDUSSCGKSA-N 1 0 347.415 2.089 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC(C)(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170344347 809916266 /nfs/dbraw/zinc/91/62/66/809916266.db2.gz AUOPPYKYDSNPJA-LBPRGKRZSA-N 1 0 335.404 2.122 20 5 EEBDRO COCc1sccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130254869 811352172 /nfs/dbraw/zinc/35/21/72/811352172.db2.gz AHAFSFSBZKQSEI-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncc(Cl)s1 ZINC001131294080 812634634 /nfs/dbraw/zinc/63/46/34/812634634.db2.gz NODDRKPUVPGOJD-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO [NH3+][C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001523605528 1119817018 /nfs/dbraw/zinc/81/70/18/1119817018.db2.gz KNOXMRJRLVRFAG-STQMWFEESA-N 1 0 341.770 2.316 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000174752458 231299842 /nfs/dbraw/zinc/29/98/42/231299842.db2.gz OTYCQODZCYZVKA-GOSISDBHSA-N 1 0 344.415 2.455 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164147141 529786035 /nfs/dbraw/zinc/78/60/35/529786035.db2.gz NMPHWZDWPWLMPN-CZUORRHYSA-N 1 0 346.431 2.217 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000154892365 530050337 /nfs/dbraw/zinc/05/03/37/530050337.db2.gz VELWKXINXWFEMC-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155239532 530058204 /nfs/dbraw/zinc/05/82/04/530058204.db2.gz AMBINQFYKMCYML-ZBFHGGJFSA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180933892 234034841 /nfs/dbraw/zinc/03/48/41/234034841.db2.gz WJYFWLBQMHVCKY-CYBMUJFWSA-N 1 0 334.420 2.419 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000181576316 234239178 /nfs/dbraw/zinc/23/91/78/234239178.db2.gz YCHSFYGAJCPZEX-LBPRGKRZSA-N 1 0 327.768 2.201 20 5 EEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000187438728 236210969 /nfs/dbraw/zinc/21/09/69/236210969.db2.gz SGVIHWPMUNLJTB-UHFFFAOYSA-N 1 0 342.783 2.092 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237256362 283599167 /nfs/dbraw/zinc/59/91/67/283599167.db2.gz QGZBHYYYFPADHY-SNVBAGLBSA-N 1 0 342.193 2.181 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422716715 240190703 /nfs/dbraw/zinc/19/07/03/240190703.db2.gz VEPGBRMTWRKUBX-SNVBAGLBSA-N 1 0 329.809 2.161 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193673783 240260394 /nfs/dbraw/zinc/26/03/94/240260394.db2.gz MZLDGJNGISTQGW-BDJLRTHQSA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422907202 240286047 /nfs/dbraw/zinc/28/60/47/240286047.db2.gz KYVRIJRJXLGNBD-AWEZNQCLSA-N 1 0 329.360 2.277 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000425345127 241135394 /nfs/dbraw/zinc/13/53/94/241135394.db2.gz DBQDKCVMSNNNRM-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCn3ccnc3C2)n1 ZINC000447596267 242292390 /nfs/dbraw/zinc/29/23/90/242292390.db2.gz CCRXLPJMFIRIQL-BFHYXJOUSA-N 1 0 330.392 2.076 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000447587566 242293098 /nfs/dbraw/zinc/29/30/98/242293098.db2.gz QREWEHYLPVGPDR-ZIAGYGMSSA-N 1 0 330.392 2.206 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000448182325 242376279 /nfs/dbraw/zinc/37/62/79/242376279.db2.gz SGWAIGGSBIHXHT-WFASDCNBSA-N 1 0 341.433 2.089 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000236869893 242390576 /nfs/dbraw/zinc/39/05/76/242390576.db2.gz AWISFBKOUSJSAB-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245748303 243153097 /nfs/dbraw/zinc/15/30/97/243153097.db2.gz AJLHQHPZYINYST-SRMUXQRQSA-N 1 0 333.388 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000451552669 243156357 /nfs/dbraw/zinc/15/63/57/243156357.db2.gz WZUVQKVDOUDLRG-HIFRSBDPSA-N 1 0 338.429 2.209 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488950 243130424 /nfs/dbraw/zinc/13/04/24/243130424.db2.gz JLIRWSGFVMAELA-DJIMGWMZSA-N 1 0 345.399 2.105 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451498168 243135088 /nfs/dbraw/zinc/13/50/88/243135088.db2.gz MVQAAVZQCBGHAI-LSDHHAIUSA-N 1 0 349.387 2.296 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000246858500 243328779 /nfs/dbraw/zinc/32/87/79/243328779.db2.gz DVBKSCMJPIZBFK-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO CNc1nc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000455558442 244026707 /nfs/dbraw/zinc/02/67/07/244026707.db2.gz UANWYYIOUMPILV-VXGBXAGGSA-N 1 0 335.408 2.024 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456139513 244160392 /nfs/dbraw/zinc/16/03/92/244160392.db2.gz LFJBNQNAZCXSQB-KMFMINBZSA-N 1 0 331.416 2.499 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459764433 245240086 /nfs/dbraw/zinc/24/00/86/245240086.db2.gz ONUPXJZADPDSEN-GJZGRUSLSA-N 1 0 349.387 2.089 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2CC)c([N+](=O)[O-])c1 ZINC000459769597 245243388 /nfs/dbraw/zinc/24/33/88/245243388.db2.gz HEINPSAOPQTOJH-HIFRSBDPSA-N 1 0 337.376 2.089 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459784217 245247263 /nfs/dbraw/zinc/24/72/63/245247263.db2.gz JEKUPUUXHOXCSD-LBPRGKRZSA-N 1 0 331.376 2.316 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000080246176 217291994 /nfs/dbraw/zinc/29/19/94/217291994.db2.gz LEWPTSMASFOQMG-AWEZNQCLSA-N 1 0 336.436 2.124 20 5 EEBDRO Cc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000265189985 247282389 /nfs/dbraw/zinc/28/23/89/247282389.db2.gz KNUAKIROJRWHAK-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000339937645 284669370 /nfs/dbraw/zinc/66/93/70/284669370.db2.gz SZCRMBMLHSNARO-CYBMUJFWSA-N 1 0 337.424 2.036 20 5 EEBDRO C[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434342 218226195 /nfs/dbraw/zinc/22/61/95/218226195.db2.gz IEEMTWVONNKXPQ-QMMMGPOBSA-N 1 0 329.198 2.316 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261653954 285085311 /nfs/dbraw/zinc/08/53/11/285085311.db2.gz JXJZTJCNMUJOPE-GFCCVEGCSA-N 1 0 344.337 2.098 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262588705 299567789 /nfs/dbraw/zinc/56/77/89/299567789.db2.gz YANNBDFVMUIAJB-QWRGUYRKSA-N 1 0 341.795 2.131 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000185415044 208593210 /nfs/dbraw/zinc/59/32/10/208593210.db2.gz KTEILQGDWNFBNF-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415493860 533141177 /nfs/dbraw/zinc/14/11/77/533141177.db2.gz DDISRSJEHGBWAV-HAQNSBGRSA-N 1 0 336.392 2.490 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267444320 256060194 /nfs/dbraw/zinc/06/01/94/256060194.db2.gz DOUYCTDROPMPCM-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000268083447 256111459 /nfs/dbraw/zinc/11/14/59/256111459.db2.gz IXVPHDWLECGCNV-OAHLLOKOSA-N 1 0 348.447 2.414 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094875 256112600 /nfs/dbraw/zinc/11/26/00/256112600.db2.gz CLTPCIAHFCIZID-BFQNTYOBSA-N 1 0 332.404 2.438 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000268150656 256119212 /nfs/dbraw/zinc/11/92/12/256119212.db2.gz MOXXLMDEMHVOKL-ZUZCIYMTSA-N 1 0 330.388 2.374 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497416 256141848 /nfs/dbraw/zinc/14/18/48/256141848.db2.gz JXWBTEDZZWRKRQ-CJNGLKHVSA-N 1 0 334.420 2.119 20 5 EEBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146818 256212811 /nfs/dbraw/zinc/21/28/11/256212811.db2.gz RTWWLQAKDSMVHR-ZBFHGGJFSA-N 1 0 349.431 2.266 20 5 EEBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1O ZINC000270860737 256180464 /nfs/dbraw/zinc/18/04/64/256180464.db2.gz ICGNFSFCXXXVRO-GPCCPHFNSA-N 1 0 341.795 2.278 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273220847 256277633 /nfs/dbraw/zinc/27/76/33/256277633.db2.gz KUAKQJURMOMMAA-GFCCVEGCSA-N 1 0 337.424 2.436 20 5 EEBDRO C[C@@]1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273065472 256262263 /nfs/dbraw/zinc/26/22/63/256262263.db2.gz ZNDYACMJQKWOQX-QGZVFWFLSA-N 1 0 332.404 2.289 20 5 EEBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273557965 256306695 /nfs/dbraw/zinc/30/66/95/256306695.db2.gz WQESHYPMZJAMSK-HZPDHXFCSA-N 1 0 349.456 2.176 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000273441208 256297229 /nfs/dbraw/zinc/29/72/29/256297229.db2.gz ZQEGERHQDSKHKN-GFCCVEGCSA-N 1 0 331.376 2.316 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000119618750 221361623 /nfs/dbraw/zinc/36/16/23/221361623.db2.gz RNXILHONEQJGQQ-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192674637 140875319 /nfs/dbraw/zinc/87/53/19/140875319.db2.gz HRZPXKLBGROUTL-BETUJISGSA-N 1 0 339.440 2.421 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000058100310 292147680 /nfs/dbraw/zinc/14/76/80/292147680.db2.gz CLHJLCXOJGIIRM-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253625 286217644 /nfs/dbraw/zinc/21/76/44/286217644.db2.gz SZTRPGYOEWMWBW-CYBMUJFWSA-N 1 0 337.420 2.386 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123388156 292281036 /nfs/dbraw/zinc/28/10/36/292281036.db2.gz IIBIKJPGUZVMKZ-UHFFFAOYSA-N 1 0 343.449 2.118 20 5 EEBDRO C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000359494060 153397727 /nfs/dbraw/zinc/39/77/27/153397727.db2.gz FDOIKQVTKUSGQM-NSHDSACASA-N 1 0 349.366 2.234 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000266731901 292290720 /nfs/dbraw/zinc/29/07/20/292290720.db2.gz IDWKIPXKQQPAMK-CABCVRRESA-N 1 0 347.415 2.367 20 5 EEBDRO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368475475 153807559 /nfs/dbraw/zinc/80/75/59/153807559.db2.gz SXEWBIARVYMRJN-LBPRGKRZSA-N 1 0 337.424 2.122 20 5 EEBDRO Cc1cccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000131181387 292384302 /nfs/dbraw/zinc/38/43/02/292384302.db2.gz RBMWJDDDNZTISZ-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO CC(C)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161967130 159730413 /nfs/dbraw/zinc/73/04/13/159730413.db2.gz BWAVIIJAUNWHJL-ZDUSSCGKSA-N 1 0 343.449 2.287 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCCCC1 ZINC000237837159 160225576 /nfs/dbraw/zinc/22/55/76/160225576.db2.gz WFHQVJBVPKWLER-UHFFFAOYSA-N 1 0 336.348 2.285 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851084 161095752 /nfs/dbraw/zinc/09/57/52/161095752.db2.gz IGONZARNHCXYQG-DOMZBBRYSA-N 1 0 331.416 2.471 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343427229 161134896 /nfs/dbraw/zinc/13/48/96/161134896.db2.gz DWIFRNMKKVXNNQ-GXSJLCMTSA-N 1 0 343.330 2.409 20 5 EEBDRO CC(=O)NC1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000344154800 161203200 /nfs/dbraw/zinc/20/32/00/161203200.db2.gz ZCEIYLGGVUPPJQ-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO Cn1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000344380622 161222011 /nfs/dbraw/zinc/22/20/11/161222011.db2.gz HYAZBEARIVPMOA-UHFFFAOYSA-N 1 0 342.399 2.459 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1c[nH]cn1 ZINC000344908621 161255445 /nfs/dbraw/zinc/25/54/45/161255445.db2.gz GUQYMTWQDLTDNJ-UHFFFAOYSA-N 1 0 326.765 2.380 20 5 EEBDRO CCc1ccc([C@@H](NC[C@H](O)C[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551812 161381344 /nfs/dbraw/zinc/38/13/44/161381344.db2.gz HFXXKWFPJAIRRZ-YJBOKZPZSA-N 1 0 347.415 2.352 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000352358832 162102820 /nfs/dbraw/zinc/10/28/20/162102820.db2.gz YRHNAWNREVYZAN-QGZVFWFLSA-N 1 0 345.399 2.106 20 5 EEBDRO Cc1c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000355444924 163192962 /nfs/dbraw/zinc/19/29/62/163192962.db2.gz OUDUSZGKYCURGQ-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO COc1ccc(C[N@H+](CCO)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355470191 163201639 /nfs/dbraw/zinc/20/16/39/163201639.db2.gz JOLOYKIKRQOKJG-CYBMUJFWSA-N 1 0 326.418 2.293 20 5 EEBDRO CCOc1cc(N2CCN(Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000355531305 163221984 /nfs/dbraw/zinc/22/19/84/163221984.db2.gz MWUVSFMEZJEIDU-UHFFFAOYSA-N 1 0 345.403 2.049 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832218 164387530 /nfs/dbraw/zinc/38/75/30/164387530.db2.gz DGFXKWGCJLHJMO-SWLSCSKDSA-N 1 0 338.404 2.432 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365315425 165440076 /nfs/dbraw/zinc/44/00/76/165440076.db2.gz JHBOZSNVNUWJRN-KBPBESRZSA-N 1 0 333.388 2.107 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368808593 166131652 /nfs/dbraw/zinc/13/16/52/166131652.db2.gz ZRLNXMDSDZUUQY-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO O=C(C[NH2+]C1(C2CC2)CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375701527 167179447 /nfs/dbraw/zinc/17/94/47/167179447.db2.gz NYVPYRRQWRPAHU-UHFFFAOYSA-N 1 0 345.399 2.033 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000169310999 226240058 /nfs/dbraw/zinc/24/00/58/226240058.db2.gz WGMSOLUSNRTBMC-UHFFFAOYSA-N 1 0 333.367 2.061 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171378174 227050949 /nfs/dbraw/zinc/05/09/49/227050949.db2.gz UZUHJZAGYWJKIU-OLZOCXBDSA-N 1 0 349.387 2.007 20 5 EEBDRO COc1cc(-c2nc([C@@H]3CN(C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272716854 269012143 /nfs/dbraw/zinc/01/21/43/269012143.db2.gz YSBAKKLTGCANBB-AWEZNQCLSA-N 1 0 348.359 2.435 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000272715062 269012224 /nfs/dbraw/zinc/01/22/24/269012224.db2.gz WDLBHHRUTFXGHL-BRWVUGGUSA-N 1 0 336.388 2.420 20 5 EEBDRO CNC(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272807374 269022262 /nfs/dbraw/zinc/02/22/62/269022262.db2.gz GDYUPZWNSNFYNE-UHFFFAOYSA-N 1 0 328.372 2.414 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000275416106 269114571 /nfs/dbraw/zinc/11/45/71/269114571.db2.gz BQYQUKSLOPTNIQ-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277801737 269184623 /nfs/dbraw/zinc/18/46/23/269184623.db2.gz PLWBSLNAVOKEPG-PVUWLOKVSA-N 1 0 330.388 2.097 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278233484 269217756 /nfs/dbraw/zinc/21/77/56/269217756.db2.gz KMVXUXMZHXBGBU-WCBMZHEXSA-N 1 0 331.294 2.484 20 5 EEBDRO Cc1ccc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280311250 269349619 /nfs/dbraw/zinc/34/96/19/269349619.db2.gz GDFVXXMNWKWBEY-RDJZCZTQSA-N 1 0 344.415 2.259 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236642576 273554759 /nfs/dbraw/zinc/55/47/59/273554759.db2.gz SOZABFMDJQRAKP-MRXNPFEDSA-N 1 0 345.403 2.226 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000180605497 273814499 /nfs/dbraw/zinc/81/44/99/273814499.db2.gz UEYWEHULNCTSCR-OAHLLOKOSA-N 1 0 346.362 2.349 20 5 EEBDRO CNc1nc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455560089 273975691 /nfs/dbraw/zinc/97/56/91/273975691.db2.gz XIYRXZNZNMHGQC-ZDUSSCGKSA-N 1 0 347.419 2.122 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000194238338 274069362 /nfs/dbraw/zinc/06/93/62/274069362.db2.gz KCPAMDXWJWZZRO-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CO[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C[NH3+])C1 ZINC000415478809 274079562 /nfs/dbraw/zinc/07/95/62/274079562.db2.gz DRJNYWBBKDOINU-STQMWFEESA-N 1 0 336.392 2.182 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000269101305 274109817 /nfs/dbraw/zinc/10/98/17/274109817.db2.gz RVOMCYGHAIEDEW-RDJZCZTQSA-N 1 0 342.399 2.285 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1CC(C)(C)O ZINC000275481448 274250106 /nfs/dbraw/zinc/25/01/06/274250106.db2.gz JJWBLUATQYYCOF-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000277933434 274325137 /nfs/dbraw/zinc/32/51/37/274325137.db2.gz KAWCIGWIMLMLEJ-XHDPSFHLSA-N 1 0 345.403 2.302 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000289411840 275114433 /nfs/dbraw/zinc/11/44/33/275114433.db2.gz BCOFWYXTYMPFFF-LLVKDONJSA-N 1 0 347.412 2.133 20 5 EEBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289684173 275138983 /nfs/dbraw/zinc/13/89/83/275138983.db2.gz GNAXONNQKVBCMJ-NWDGAFQWSA-N 1 0 330.331 2.312 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000290373613 275201968 /nfs/dbraw/zinc/20/19/68/275201968.db2.gz NMRAZFCBTBMDHK-UHFFFAOYSA-N 1 0 335.385 2.429 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290840303 275245259 /nfs/dbraw/zinc/24/52/59/275245259.db2.gz VWUJIJWPKSQCMI-LLVKDONJSA-N 1 0 345.193 2.191 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH+](C)C ZINC000269328287 275586434 /nfs/dbraw/zinc/58/64/34/275586434.db2.gz DRTFOLZIKRIDPZ-NSHDSACASA-N 1 0 325.413 2.147 20 5 EEBDRO CCOc1cccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000184131783 276381255 /nfs/dbraw/zinc/38/12/55/276381255.db2.gz PPZTXGLSOJNQJI-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO COc1cccc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000185448030 278015991 /nfs/dbraw/zinc/01/59/91/278015991.db2.gz UNCKRUORNXHPNJ-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000349968645 278170967 /nfs/dbraw/zinc/17/09/67/278170967.db2.gz VEBLMIHEPXAELR-SECBINFHSA-N 1 0 348.325 2.269 20 5 EEBDRO C[C@@H]1C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424049979 278953877 /nfs/dbraw/zinc/95/38/77/278953877.db2.gz AMZLZANKPOXJQA-HZSPNIEDSA-N 1 0 335.404 2.196 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1 ZINC000420421799 280654621 /nfs/dbraw/zinc/65/46/21/280654621.db2.gz FVQQZQOHHZSQFO-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000195107462 281838407 /nfs/dbraw/zinc/83/84/07/281838407.db2.gz VRSLXVJOIQOLJE-HNNXBMFYSA-N 1 0 346.431 2.394 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465109 292828094 /nfs/dbraw/zinc/82/80/94/292828094.db2.gz KERMPZHTVQGKLO-HOCLYGCPSA-N 1 0 326.368 2.390 20 5 EEBDRO CC(=O)c1cc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000283884198 293008520 /nfs/dbraw/zinc/00/85/20/293008520.db2.gz VJSJFVRZHDUDBL-UHFFFAOYSA-N 1 0 335.404 2.080 20 5 EEBDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284081184 293027108 /nfs/dbraw/zinc/02/71/08/293027108.db2.gz LUXINVBWOJRAFV-GFCCVEGCSA-N 1 0 344.419 2.388 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293584185 293244467 /nfs/dbraw/zinc/24/44/67/293244467.db2.gz ANCKSMUKWRGCEI-MRXNPFEDSA-N 1 0 337.807 2.345 20 5 EEBDRO Cc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296635119 294027416 /nfs/dbraw/zinc/02/74/16/294027416.db2.gz VYLPMGFFMGYRLE-UHFFFAOYSA-N 1 0 327.388 2.324 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000297392482 294231608 /nfs/dbraw/zinc/23/16/08/294231608.db2.gz RCSVHTQNXAZEMP-GOSISDBHSA-N 1 0 346.431 2.265 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298151128 294432332 /nfs/dbraw/zinc/43/23/32/294432332.db2.gz HJGGPLOESDHHGF-UHFFFAOYSA-N 1 0 341.433 2.088 20 5 EEBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299454411 294746207 /nfs/dbraw/zinc/74/62/07/294746207.db2.gz UUZSKTLPWHCASJ-RYUDHWBXSA-N 1 0 337.424 2.114 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000342924190 303385869 /nfs/dbraw/zinc/38/58/69/303385869.db2.gz DEVNWAIVKUQNOO-JTQLQIEISA-N 1 0 347.824 2.140 20 5 EEBDRO CN(Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)Cc1ccccc1 ZINC000350899986 312351037 /nfs/dbraw/zinc/35/10/37/312351037.db2.gz KZEOLVBSPQWRSJ-UHFFFAOYSA-N 1 0 328.332 2.010 20 5 EEBDRO CNc1nc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000411217854 312514396 /nfs/dbraw/zinc/51/43/96/312514396.db2.gz XQFWAFSWBWFHPR-UHFFFAOYSA-N 1 0 335.408 2.071 20 5 EEBDRO CC(C)Oc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411515670 312545607 /nfs/dbraw/zinc/54/56/07/312545607.db2.gz WBEAVKOYDZWEIH-OAHLLOKOSA-N 1 0 335.404 2.452 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414247100 312986871 /nfs/dbraw/zinc/98/68/71/312986871.db2.gz CIZGXHIMPRICOL-GFCCVEGCSA-N 1 0 328.434 2.329 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cc(CO)nn1)CCCC2 ZINC000417349882 313492365 /nfs/dbraw/zinc/49/23/65/313492365.db2.gz NCWDCGXYIIAQGE-KRWDZBQOSA-N 1 0 345.403 2.126 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417711884 313573640 /nfs/dbraw/zinc/57/36/40/313573640.db2.gz DYLHDBHPWXZNST-ZIAGYGMSSA-N 1 0 349.435 2.097 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000417765899 313589138 /nfs/dbraw/zinc/58/91/38/313589138.db2.gz OQORXFPEFBUFOC-OAHLLOKOSA-N 1 0 334.420 2.344 20 5 EEBDRO Cc1c(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000418075677 313706538 /nfs/dbraw/zinc/70/65/38/313706538.db2.gz FFZXCRNBTXNRLM-INIZCTEOSA-N 1 0 346.431 2.434 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418421676 313808684 /nfs/dbraw/zinc/80/86/84/313808684.db2.gz IEPGNKDEPGISAP-ZBFHGGJFSA-N 1 0 334.420 2.296 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418561852 313847278 /nfs/dbraw/zinc/84/72/78/313847278.db2.gz ZNYPIEIAWKSWTM-KRWDZBQOSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028349 314031352 /nfs/dbraw/zinc/03/13/52/314031352.db2.gz UGWVCLHJCRJQJQ-CHWSQXEVSA-N 1 0 338.408 2.091 20 5 EEBDRO CCCN1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)CC1=O ZINC000421353642 314090374 /nfs/dbraw/zinc/09/03/74/314090374.db2.gz PTIXTMBAXLISOA-ZDUSSCGKSA-N 1 0 335.404 2.342 20 5 EEBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000430593428 314555423 /nfs/dbraw/zinc/55/54/23/314555423.db2.gz SOHXCTHCLUOTFI-QGZVFWFLSA-N 1 0 325.368 2.488 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000439006780 315063213 /nfs/dbraw/zinc/06/32/13/315063213.db2.gz HGZQWYFLOOERKS-CQSZACIVSA-N 1 0 326.418 2.293 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000444620589 315311816 /nfs/dbraw/zinc/31/18/16/315311816.db2.gz VSNGOYLWEAMYCU-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445173303 315349940 /nfs/dbraw/zinc/34/99/40/315349940.db2.gz NYRLXFOGLDQRNW-YRGRVCCFSA-N 1 0 348.403 2.173 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449200472 315431680 /nfs/dbraw/zinc/43/16/80/315431680.db2.gz HERGGGBIGOTNDL-UONOGXRCSA-N 1 0 333.388 2.065 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449209166 315433033 /nfs/dbraw/zinc/43/30/33/315433033.db2.gz OUUSMTNKEGHZRN-JKSUJKDBSA-N 1 0 331.416 2.294 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(Cc3ccccc3)CCOCC2)c1 ZINC000451944002 315470679 /nfs/dbraw/zinc/47/06/79/315470679.db2.gz YIUYIOBZDLTKEV-UHFFFAOYSA-N 1 0 330.388 2.173 20 5 EEBDRO CC[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862647 318011477 /nfs/dbraw/zinc/01/14/77/318011477.db2.gz KHXLBFHIRHMLBU-QWHCGFSZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000563416120 319009105 /nfs/dbraw/zinc/00/91/05/319009105.db2.gz IAZIAOQOCWEGCY-UHFFFAOYSA-N 1 0 340.399 2.323 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000564657844 319098521 /nfs/dbraw/zinc/09/85/21/319098521.db2.gz POYJTEXXPBFLNE-IUCAKERBSA-N 1 0 344.209 2.142 20 5 EEBDRO CC(C)[C@]1(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860847 319119419 /nfs/dbraw/zinc/11/94/19/319119419.db2.gz WEIORJNVQAUDDB-CABCVRRESA-N 1 0 326.418 2.393 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000566063862 319239912 /nfs/dbraw/zinc/23/99/12/319239912.db2.gz OGFHANNWTQBAFM-ZIAGYGMSSA-N 1 0 336.369 2.107 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000576220324 320151804 /nfs/dbraw/zinc/15/18/04/320151804.db2.gz MPGZVZFLOSMLQR-MAUKXSAKSA-N 1 0 344.367 2.196 20 5 EEBDRO CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000577633613 320267583 /nfs/dbraw/zinc/26/75/83/320267583.db2.gz QXWMMHPKUQBUET-ZDUSSCGKSA-N 1 0 346.456 2.398 20 5 EEBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860328 320280375 /nfs/dbraw/zinc/28/03/75/320280375.db2.gz XKHHMAQEKBESLA-BXUZGUMPSA-N 1 0 349.387 2.160 20 5 EEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578010800 320288815 /nfs/dbraw/zinc/28/88/15/320288815.db2.gz RQHOJXNCGLAYOE-GFCCVEGCSA-N 1 0 347.371 2.070 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C[NH3+])cc1SC ZINC000581661656 324297966 /nfs/dbraw/zinc/29/79/66/324297966.db2.gz HKARAAURSHCTMZ-JTQLQIEISA-N 1 0 339.417 2.279 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC(F)(F)F ZINC000358348713 465073131 /nfs/dbraw/zinc/07/31/31/465073131.db2.gz CXYKSKARBKJFKY-ONGXEEELSA-N 1 0 349.309 2.215 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CC(F)(F)F ZINC000358373493 465085448 /nfs/dbraw/zinc/08/54/48/465085448.db2.gz XWDINKTYLYTMFX-MWLCHTKSSA-N 1 0 349.309 2.215 20 5 EEBDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347565854 465095022 /nfs/dbraw/zinc/09/50/22/465095022.db2.gz WRORJDRHXJRRAI-GFCCVEGCSA-N 1 0 344.371 2.312 20 5 EEBDRO CC(C)[NH+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000341295498 465098215 /nfs/dbraw/zinc/09/82/15/465098215.db2.gz QJOYVACAKZDAFU-UHFFFAOYSA-N 1 0 333.392 2.774 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000296500791 465214974 /nfs/dbraw/zinc/21/49/74/465214974.db2.gz BROATYLXFOMLSD-INIZCTEOSA-N 1 0 334.376 2.163 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)n1 ZINC000341528882 465216408 /nfs/dbraw/zinc/21/64/08/465216408.db2.gz GENYISKFJOBZSR-VXGBXAGGSA-N 1 0 336.392 2.451 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1SC ZINC000298061293 465289019 /nfs/dbraw/zinc/28/90/19/465289019.db2.gz KDESKCYQOJBDFB-GUTXKFCHSA-N 1 0 336.417 2.470 20 5 EEBDRO Nc1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc1[N+](=O)[O-] ZINC000590571721 468276289 /nfs/dbraw/zinc/27/62/89/468276289.db2.gz WCCHBFJWMPURRT-OAHLLOKOSA-N 1 0 327.388 2.821 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000074322235 462586734 /nfs/dbraw/zinc/58/67/34/462586734.db2.gz CVAKEEPBTAIAPY-OAHLLOKOSA-N 1 0 347.415 2.164 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000063503528 462650604 /nfs/dbraw/zinc/65/06/04/462650604.db2.gz IVSAMVMNNWWZHN-CYBMUJFWSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128574190 462654753 /nfs/dbraw/zinc/65/47/53/462654753.db2.gz GOCZKYUJFOPEOC-NHYWBVRUSA-N 1 0 339.367 2.298 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153980243 462716820 /nfs/dbraw/zinc/71/68/20/462716820.db2.gz WFSARRPVAAHGHR-QGZVFWFLSA-N 1 0 349.387 2.044 20 5 EEBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897292 462737921 /nfs/dbraw/zinc/73/79/21/462737921.db2.gz ZJUIORHAPCVPPA-CYBMUJFWSA-N 1 0 344.371 2.208 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000090017359 462766711 /nfs/dbraw/zinc/76/67/11/462766711.db2.gz NKLXJDPDCAYJHO-IUODEOHRSA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000090538977 462796484 /nfs/dbraw/zinc/79/64/84/462796484.db2.gz OBCFXLOIKGLANP-ZDUSSCGKSA-N 1 0 343.387 2.269 20 5 EEBDRO C[C@H]1CC[N@H+](CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552248829 468321234 /nfs/dbraw/zinc/32/12/34/468321234.db2.gz UYUAUUPNMRIALC-YOEHRIQHSA-N 1 0 343.431 2.349 20 5 EEBDRO CCc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000091669622 462897300 /nfs/dbraw/zinc/89/73/00/462897300.db2.gz YUBPTDNWNGJWEH-DOMZBBRYSA-N 1 0 333.436 2.344 20 5 EEBDRO Cc1nccn1CCCN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000120263382 462978807 /nfs/dbraw/zinc/97/88/07/462978807.db2.gz JOGJMWYUGADMIX-UHFFFAOYSA-N 1 0 345.403 2.374 20 5 EEBDRO COc1ccc(OCC[N@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134407151 463035915 /nfs/dbraw/zinc/03/59/15/463035915.db2.gz ILYLJNGTPPQCEY-HNNXBMFYSA-N 1 0 326.393 2.321 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434374 463037175 /nfs/dbraw/zinc/03/71/75/463037175.db2.gz BDKUVJGDEOOUPR-RKDXNWHRSA-N 1 0 329.198 2.316 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094069737 463057144 /nfs/dbraw/zinc/05/71/44/463057144.db2.gz IQZUGRULKUSYKD-CABCVRRESA-N 1 0 347.415 2.113 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000590776657 468336084 /nfs/dbraw/zinc/33/60/84/468336084.db2.gz YESSFWOTJIKNHS-TYNCELHUSA-N 1 0 335.429 2.238 20 5 EEBDRO C[NH+](C)C1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000134934578 463098901 /nfs/dbraw/zinc/09/89/01/463098901.db2.gz SSHLMBHEZFCBAZ-UHFFFAOYSA-N 1 0 332.385 2.104 20 5 EEBDRO Cc1c(Br)cc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000134984457 463103611 /nfs/dbraw/zinc/10/36/11/463103611.db2.gz RZPKRDNLWVPTER-UHFFFAOYSA-N 1 0 342.193 2.052 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000068386140 463128710 /nfs/dbraw/zinc/12/87/10/463128710.db2.gz VOKJEVTXNHKMOI-NSHDSACASA-N 1 0 345.403 2.486 20 5 EEBDRO CCCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078665034 463138345 /nfs/dbraw/zinc/13/83/45/463138345.db2.gz DMVHIFZIKCZYRL-UHFFFAOYSA-N 1 0 329.784 2.281 20 5 EEBDRO C[N@H+](CCOc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712013 463168914 /nfs/dbraw/zinc/16/89/14/463168914.db2.gz UZKLJVOIRWTXBB-INIZCTEOSA-N 1 0 346.383 2.345 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079431517 463213222 /nfs/dbraw/zinc/21/32/22/463213222.db2.gz CXNQTPNNAJYQLK-UHFFFAOYSA-N 1 0 348.447 2.362 20 5 EEBDRO CCCC[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000122645347 463281913 /nfs/dbraw/zinc/28/19/13/463281913.db2.gz AGIVVOBHNJPURX-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000030377389 463297475 /nfs/dbraw/zinc/29/74/75/463297475.db2.gz XCAPTUCKNQPHGL-SFHVURJKSA-N 1 0 327.384 2.450 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011551 468349966 /nfs/dbraw/zinc/34/99/66/468349966.db2.gz OUBNZTYKKHANGL-HJIKLVIJSA-N 1 0 341.795 2.324 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000102183766 463384610 /nfs/dbraw/zinc/38/46/10/463384610.db2.gz YCAMKBIQYJNCDY-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032730720 463390375 /nfs/dbraw/zinc/39/03/75/463390375.db2.gz ZTYLLFOTBHDYCF-KBPBESRZSA-N 1 0 335.404 2.353 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000161118603 463401128 /nfs/dbraw/zinc/40/11/28/463401128.db2.gz BGUWJVWBIRYMHU-WDEREUQCSA-N 1 0 337.376 2.002 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028839 463403537 /nfs/dbraw/zinc/40/35/37/463403537.db2.gz XJNASRCFNZTZAS-UHFFFAOYSA-N 1 0 339.311 2.193 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000553245685 468357121 /nfs/dbraw/zinc/35/71/21/468357121.db2.gz GBCHMCHVWDKTJN-INIZCTEOSA-N 1 0 335.404 2.466 20 5 EEBDRO NC(=O)[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104662414 463416968 /nfs/dbraw/zinc/41/69/68/463416968.db2.gz DONDXZUOWKPLFS-CQSZACIVSA-N 1 0 344.371 2.132 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104976008 463431535 /nfs/dbraw/zinc/43/15/35/463431535.db2.gz UKUDGPKHSXDGEO-UHFFFAOYSA-N 1 0 344.799 2.290 20 5 EEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000057053807 463448244 /nfs/dbraw/zinc/44/82/44/463448244.db2.gz IBLBTSUNQPRORX-UHFFFAOYSA-N 1 0 344.371 2.188 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1SC ZINC000161686548 463449430 /nfs/dbraw/zinc/44/94/30/463449430.db2.gz CFDNKDYTKILTMH-VHSXEESVSA-N 1 0 339.417 2.325 20 5 EEBDRO COC(=O)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000072633245 463526783 /nfs/dbraw/zinc/52/67/83/463526783.db2.gz NTUHDLJJTQTDPZ-UHFFFAOYSA-N 1 0 337.376 2.115 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000108782652 463623366 /nfs/dbraw/zinc/62/33/66/463623366.db2.gz TZVOHHMECBGPTO-LBPRGKRZSA-N 1 0 344.415 2.383 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000109810735 463650746 /nfs/dbraw/zinc/65/07/46/463650746.db2.gz HPSHEQIBYKFSFD-CQSZACIVSA-N 1 0 331.376 2.171 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000177592439 463744936 /nfs/dbraw/zinc/74/49/36/463744936.db2.gz KTYZABDNGAZRTN-NEPJUHHUSA-N 1 0 336.348 2.106 20 5 EEBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000287126535 463807943 /nfs/dbraw/zinc/80/79/43/463807943.db2.gz ZMVWAMZBNFOEKI-CYBMUJFWSA-N 1 0 337.376 2.184 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000178006545 463828596 /nfs/dbraw/zinc/82/85/96/463828596.db2.gz PNSNVOBNZLHDRN-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000287218772 463836986 /nfs/dbraw/zinc/83/69/86/463836986.db2.gz FRTWNSLBGSRMGD-RDJZCZTQSA-N 1 0 346.431 2.406 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261718979 463838013 /nfs/dbraw/zinc/83/80/13/463838013.db2.gz CGAIQQKFEVPKBH-ZDUSSCGKSA-N 1 0 334.763 2.363 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000178150970 463853020 /nfs/dbraw/zinc/85/30/20/463853020.db2.gz YOBKJYXBYGGTPM-OAHLLOKOSA-N 1 0 346.362 2.349 20 5 EEBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000277059997 463860935 /nfs/dbraw/zinc/86/09/35/463860935.db2.gz HUKKEABMEHBKFC-CQSZACIVSA-N 1 0 336.436 2.289 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000287317169 463868252 /nfs/dbraw/zinc/86/82/52/463868252.db2.gz NNNIAUAKTSGNQH-CYBMUJFWSA-N 1 0 348.403 2.089 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000194712205 463914552 /nfs/dbraw/zinc/91/45/52/463914552.db2.gz LUOVEDIESLFANB-OAHLLOKOSA-N 1 0 349.434 2.365 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269235921 463921551 /nfs/dbraw/zinc/92/15/51/463921551.db2.gz BLPXGXIHUGXIOX-VIFPVBQESA-N 1 0 348.172 2.210 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc([N+](=O)[O-])c1 ZINC000261999046 463922148 /nfs/dbraw/zinc/92/21/48/463922148.db2.gz AQVILNFQOJQDEN-YVEFUNNKSA-N 1 0 347.371 2.100 20 5 EEBDRO CCCCNC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269680395 464056112 /nfs/dbraw/zinc/05/61/12/464056112.db2.gz XYOYQBNQLLMUTJ-KRWDZBQOSA-N 1 0 349.431 2.257 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000279235116 464073569 /nfs/dbraw/zinc/07/35/69/464073569.db2.gz QSTIEPMMOJBQFU-UHFFFAOYSA-N 1 0 340.399 2.118 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000284229419 464117595 /nfs/dbraw/zinc/11/75/95/464117595.db2.gz GVHSVOOCCZTORZ-UHFFFAOYSA-N 1 0 344.209 2.347 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270043508 464169208 /nfs/dbraw/zinc/16/92/08/464169208.db2.gz DNUNCMLRGLSIJH-ZENOOKHLSA-N 1 0 335.404 2.323 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[C@@H]1O ZINC000270154307 464201686 /nfs/dbraw/zinc/20/16/86/464201686.db2.gz ROMBIGUKZKGLRW-JSGCOSHPSA-N 1 0 332.360 2.238 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292417375 464226380 /nfs/dbraw/zinc/22/63/80/464226380.db2.gz BNLBZJXZKWGLIW-HNNXBMFYSA-N 1 0 339.342 2.241 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000173337252 464242501 /nfs/dbraw/zinc/24/25/01/464242501.db2.gz JFSVUTFKNBHRIB-OCCSQVGLSA-N 1 0 341.433 2.007 20 5 EEBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC000237086939 464262840 /nfs/dbraw/zinc/26/28/40/464262840.db2.gz PMZQKCSHCLCDJB-UHFFFAOYSA-N 1 0 349.434 2.365 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237463026 464325303 /nfs/dbraw/zinc/32/53/03/464325303.db2.gz OWBMPAJTJZAZJN-UONOGXRCSA-N 1 0 334.420 2.373 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000237663918 464360488 /nfs/dbraw/zinc/36/04/88/464360488.db2.gz CPBWODASBAMSBR-JSGCOSHPSA-N 1 0 341.433 2.007 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000188862070 464384703 /nfs/dbraw/zinc/38/47/03/464384703.db2.gz FYHJDBQMEBYCJX-UHFFFAOYSA-N 1 0 338.408 2.087 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237941918 464407832 /nfs/dbraw/zinc/40/78/32/464407832.db2.gz PMDMPDSZHNKDDA-LLVKDONJSA-N 1 0 346.412 2.448 20 5 EEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000189002919 464413383 /nfs/dbraw/zinc/41/33/83/464413383.db2.gz UONJHICLCKFDOH-LBPRGKRZSA-N 1 0 335.404 2.374 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000264663284 464413482 /nfs/dbraw/zinc/41/34/82/464413482.db2.gz IYPGKTCKLWIOKK-GFCCVEGCSA-N 1 0 337.424 2.122 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189213369 464457363 /nfs/dbraw/zinc/45/73/63/464457363.db2.gz XHWDBXLGOFOKDR-GFCCVEGCSA-N 1 0 333.388 2.126 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000281484938 464473576 /nfs/dbraw/zinc/47/35/76/464473576.db2.gz HCMUEKRLVIVLCW-CQSZACIVSA-N 1 0 347.415 2.439 20 5 EEBDRO CC[NH+](CC)CCCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000189479119 464514280 /nfs/dbraw/zinc/51/42/80/464514280.db2.gz BLVMZBHBFHDQQS-UHFFFAOYSA-N 1 0 332.198 2.251 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175392233 464539450 /nfs/dbraw/zinc/53/94/50/464539450.db2.gz AYTXQAKXIRSBPL-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[C@H]1CCC[NH2+]1 ZINC000294941271 464656067 /nfs/dbraw/zinc/65/60/67/464656067.db2.gz VIWUEQKLIXBLKD-GFCCVEGCSA-N 1 0 325.796 2.439 20 5 EEBDRO CCCCC[N@H+](CCCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000272588314 464670011 /nfs/dbraw/zinc/67/00/11/464670011.db2.gz PBEZBLWECSPDRB-UHFFFAOYSA-N 1 0 325.409 2.285 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272611047 464679764 /nfs/dbraw/zinc/67/97/64/464679764.db2.gz WUDSSRNIOGPRQX-UHFFFAOYSA-N 1 0 337.405 2.060 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000176168664 464711513 /nfs/dbraw/zinc/71/15/13/464711513.db2.gz PVBJGACUIXFQCT-GFCCVEGCSA-N 1 0 343.449 2.158 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170198 464730828 /nfs/dbraw/zinc/73/08/28/464730828.db2.gz RPPITLUZRLEWNY-UWVGGRQHSA-N 1 0 337.351 2.098 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000282373546 464793660 /nfs/dbraw/zinc/79/36/60/464793660.db2.gz ABEOJGMULRSTPO-GOEBONIOSA-N 1 0 333.388 2.350 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000286166781 464825863 /nfs/dbraw/zinc/82/58/63/464825863.db2.gz OJZJDJNTUMFYDB-JKSUJKDBSA-N 1 0 349.431 2.474 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286257575 464857692 /nfs/dbraw/zinc/85/76/92/464857692.db2.gz GJTHZISQFVKBEN-SFHVURJKSA-N 1 0 341.415 2.431 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238809 464987413 /nfs/dbraw/zinc/98/74/13/464987413.db2.gz OKPOBBSVYUZVHD-QMTHXVAHSA-N 1 0 328.372 2.289 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908670 464998217 /nfs/dbraw/zinc/99/82/17/464998217.db2.gz YKSPRMOYAHWJRT-CXAGYDPISA-N 1 0 346.431 2.261 20 5 EEBDRO CC(=O)c1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000286667814 464999355 /nfs/dbraw/zinc/99/93/55/464999355.db2.gz MKEODNCIIVYXPJ-GFCCVEGCSA-N 1 0 335.404 2.079 20 5 EEBDRO CSc1ccccc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355252 465324757 /nfs/dbraw/zinc/32/47/57/465324757.db2.gz DPJQVFXUSDUYMD-WCQYABFASA-N 1 0 336.417 2.225 20 5 EEBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337424510 465361058 /nfs/dbraw/zinc/36/10/58/465361058.db2.gz RIYDNWCMJVHYBI-DVOMOZLQSA-N 1 0 335.404 2.405 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339581202 465362832 /nfs/dbraw/zinc/36/28/32/465362832.db2.gz AHJJEBNNSIDIGG-NEPJUHHUSA-N 1 0 326.324 2.127 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298363017 465374456 /nfs/dbraw/zinc/37/44/56/465374456.db2.gz GBNMOHOHJTVAGL-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600001046 468433467 /nfs/dbraw/zinc/43/34/67/468433467.db2.gz YGTAIMKYKCXNER-NHAGDIPZSA-N 1 0 335.429 2.339 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000359553233 465450394 /nfs/dbraw/zinc/45/03/94/465450394.db2.gz RKFZQWKTBLZQDB-CQSZACIVSA-N 1 0 343.387 2.336 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2)c1 ZINC000348399910 465583020 /nfs/dbraw/zinc/58/30/20/465583020.db2.gz RUZOQXOQNPJCGI-CQSZACIVSA-N 1 0 340.387 2.387 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356884033 465599715 /nfs/dbraw/zinc/59/97/15/465599715.db2.gz QVFCXNIEBPTRRB-NWDGAFQWSA-N 1 0 330.388 2.170 20 5 EEBDRO CC(=O)N[C@]1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CC[NH2+]C1 ZINC000356892589 465605033 /nfs/dbraw/zinc/60/50/33/465605033.db2.gz LJSGLNXYMUHBQE-MRXNPFEDSA-N 1 0 346.412 2.351 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353110783 465646832 /nfs/dbraw/zinc/64/68/32/465646832.db2.gz MIKQBDHTADWOMO-LRDDRELGSA-N 1 0 335.404 2.386 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000344538839 465654582 /nfs/dbraw/zinc/65/45/82/465654582.db2.gz YBSQDVVDSNLKCW-ZDUSSCGKSA-N 1 0 333.388 2.025 20 5 EEBDRO C[C@@H]1COCCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361109549 465770690 /nfs/dbraw/zinc/77/06/90/465770690.db2.gz FMLUHHIIEVLVMK-RHSMWYFYSA-N 1 0 333.432 2.226 20 5 EEBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000338063026 465792210 /nfs/dbraw/zinc/79/22/10/465792210.db2.gz XBHXHCNGHPOKCN-CQSZACIVSA-N 1 0 346.431 2.429 20 5 EEBDRO Cn1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000348787830 465792530 /nfs/dbraw/zinc/79/25/30/465792530.db2.gz SYSVVAPEPUZGTB-HNNXBMFYSA-N 1 0 342.399 2.185 20 5 EEBDRO CC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184472 465821527 /nfs/dbraw/zinc/82/15/27/465821527.db2.gz QRNYEUDOSSOSOD-NVXWUHKLSA-N 1 0 348.447 2.223 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330960584 465874473 /nfs/dbraw/zinc/87/44/73/465874473.db2.gz FOUTUMYHYISWCS-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331064183 465918519 /nfs/dbraw/zinc/91/85/19/465918519.db2.gz WOQBDEUZQSLSNP-ZFWWWQNUSA-N 1 0 326.418 2.349 20 5 EEBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331064181 465918920 /nfs/dbraw/zinc/91/89/20/465918920.db2.gz WOQBDEUZQSLSNP-HIFRSBDPSA-N 1 0 326.418 2.349 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000349061806 465945091 /nfs/dbraw/zinc/94/50/91/465945091.db2.gz KHPSXOAVQGAKBK-SFHVURJKSA-N 1 0 334.464 2.443 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338292662 465990064 /nfs/dbraw/zinc/99/00/64/465990064.db2.gz UMYAJQXUPZMDFD-NWDGAFQWSA-N 1 0 337.376 2.101 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000361438059 465997057 /nfs/dbraw/zinc/99/70/57/465997057.db2.gz UAIYVZHGRWVPSV-QGZVFWFLSA-N 1 0 336.388 2.244 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000349214700 466023118 /nfs/dbraw/zinc/02/31/18/466023118.db2.gz FZPIQAOVKXVBHP-AWEZNQCLSA-N 1 0 335.404 2.168 20 5 EEBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000361534244 466082433 /nfs/dbraw/zinc/08/24/33/466082433.db2.gz WSACCULKAZYDQY-GJZGRUSLSA-N 1 0 348.447 2.410 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000353771295 466135106 /nfs/dbraw/zinc/13/51/06/466135106.db2.gz BBWNFJKDBRDZDR-GFCCVEGCSA-N 1 0 340.401 2.132 20 5 EEBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CC(C)(C)O ZINC000302493762 466146831 /nfs/dbraw/zinc/14/68/31/466146831.db2.gz LCOUQWVRWDHCPB-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000346827632 466181649 /nfs/dbraw/zinc/18/16/49/466181649.db2.gz LKLBHANFQPIHFA-OAHLLOKOSA-N 1 0 334.347 2.436 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+](C)Cc1ccccc1 ZINC000346857878 466203723 /nfs/dbraw/zinc/20/37/23/466203723.db2.gz XCNOJYIOYZPGIW-ZDUSSCGKSA-N 1 0 330.388 2.184 20 5 EEBDRO CCn1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353957035 466280709 /nfs/dbraw/zinc/28/07/09/466280709.db2.gz NLQLXGRYKINPPH-LBPRGKRZSA-N 1 0 331.376 2.318 20 5 EEBDRO Cc1cccc(NCC(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000338730498 466343045 /nfs/dbraw/zinc/34/30/45/466343045.db2.gz VEZRTKHESOQDPQ-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578253 468486091 /nfs/dbraw/zinc/48/60/91/468486091.db2.gz GSURHVCANYFNRT-ZBFHGGJFSA-N 1 0 329.404 2.149 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305631333 466412222 /nfs/dbraw/zinc/41/22/22/466412222.db2.gz FTGCUDHCNHKNFN-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332249905 466471166 /nfs/dbraw/zinc/47/11/66/466471166.db2.gz LOGMTGOBHYWOSZ-CYBMUJFWSA-N 1 0 346.387 2.264 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000347218893 466485500 /nfs/dbraw/zinc/48/55/00/466485500.db2.gz YJBNSSFIMVVNQU-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347265761 466521622 /nfs/dbraw/zinc/52/16/22/466521622.db2.gz BOEOSGCKEAVHGL-CABCVRRESA-N 1 0 346.431 2.400 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347402913 466613935 /nfs/dbraw/zinc/61/39/35/466613935.db2.gz GPOSJTXFNJARMI-ZDUSSCGKSA-N 1 0 329.404 3.070 20 5 EEBDRO Cc1c(Br)c(NCC[NH2+]C(C)(C)C)ncc1[N+](=O)[O-] ZINC000347442431 466633438 /nfs/dbraw/zinc/63/34/38/466633438.db2.gz XZWCEJVVDRCNGV-UHFFFAOYSA-N 1 0 331.214 2.861 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415491809 466687709 /nfs/dbraw/zinc/68/77/09/466687709.db2.gz BNCVTBDJPGPQEK-CYBMUJFWSA-N 1 0 348.403 2.457 20 5 EEBDRO COc1ccc(CNC(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000417198298 466799605 /nfs/dbraw/zinc/79/96/05/466799605.db2.gz VQNPJMYKNZHVLH-UHFFFAOYSA-N 1 0 336.392 2.064 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)n1 ZINC000365506352 466841442 /nfs/dbraw/zinc/84/14/42/466841442.db2.gz FCTNUPUQESBGSQ-KRWDZBQOSA-N 1 0 344.415 2.422 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000365604120 466879076 /nfs/dbraw/zinc/87/90/76/466879076.db2.gz VKUJTAWEFCBQOA-ROUUACIJSA-N 1 0 349.431 2.207 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)o1 ZINC000411719911 466886280 /nfs/dbraw/zinc/88/62/80/466886280.db2.gz LZCHNIFQYRYSCX-UHFFFAOYSA-N 1 0 338.385 2.266 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411717076 466886573 /nfs/dbraw/zinc/88/65/73/466886573.db2.gz HUMSBOGVNHZPAD-IKOBMHHLSA-N 1 0 345.399 2.279 20 5 EEBDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423932287 466918654 /nfs/dbraw/zinc/91/86/54/466918654.db2.gz ODXWNAOKZNUGDV-LSDHHAIUSA-N 1 0 341.367 2.089 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417760217 466926929 /nfs/dbraw/zinc/92/69/29/466926929.db2.gz FQMPYIXYTJYKSD-INIZCTEOSA-N 1 0 346.431 2.311 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424051297 466964419 /nfs/dbraw/zinc/96/44/19/466964419.db2.gz IYZPHMHEYANUAW-LBPRGKRZSA-N 1 0 335.429 2.430 20 5 EEBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412051047 466982687 /nfs/dbraw/zinc/98/26/87/466982687.db2.gz VKEAAEGGPZGBQM-MJBXVCDLSA-N 1 0 336.388 2.075 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997303 467017518 /nfs/dbraw/zinc/01/75/18/467017518.db2.gz UDEIIRNSLSULMI-HNNXBMFYSA-N 1 0 340.811 2.171 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418134625 467056127 /nfs/dbraw/zinc/05/61/27/467056127.db2.gz NPZIJBZGJNZDLK-LBPRGKRZSA-N 1 0 329.347 2.423 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377636847 467103019 /nfs/dbraw/zinc/10/30/19/467103019.db2.gz LLZVNRFOCQRYHN-OAHLLOKOSA-N 1 0 346.431 2.408 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000427407365 467156085 /nfs/dbraw/zinc/15/60/85/467156085.db2.gz XDWLLTJERRTRFW-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO C[N@H+](CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000413348405 467221591 /nfs/dbraw/zinc/22/15/91/467221591.db2.gz OAVXXWAJWYXNEU-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389855269 467402347 /nfs/dbraw/zinc/40/23/47/467402347.db2.gz ZEEJXUOLNSPIPE-QPUJVOFHSA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430569684 467441548 /nfs/dbraw/zinc/44/15/48/467441548.db2.gz ALKSKDVMXJXDAV-BBRMVZONSA-N 1 0 334.420 2.291 20 5 EEBDRO [NH3+]C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414927846 467451905 /nfs/dbraw/zinc/45/19/05/467451905.db2.gz ADMOENKUCFWJAJ-JTQLQIEISA-N 1 0 330.291 2.055 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN)C1CCCC1 ZINC000415064957 467479649 /nfs/dbraw/zinc/47/96/49/467479649.db2.gz LUBWTFSMNKOPHR-MLGOLLRUSA-N 1 0 334.420 2.419 20 5 EEBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000436295763 467527909 /nfs/dbraw/zinc/52/79/09/467527909.db2.gz ZTIFPUADKLPKKX-RFIQDPTOSA-N 1 0 340.449 2.166 20 5 EEBDRO CNc1nc(C(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000454348963 467587101 /nfs/dbraw/zinc/58/71/01/467587101.db2.gz VHFWXFSVFKFHCJ-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449635899 467673462 /nfs/dbraw/zinc/67/34/62/467673462.db2.gz YRKBSPILLLZTIG-GRTSSRMGSA-N 1 0 346.431 2.393 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000449721531 467699198 /nfs/dbraw/zinc/69/91/98/467699198.db2.gz BZQGOSCWHJAWCU-JTQLQIEISA-N 1 0 339.701 2.187 20 5 EEBDRO Cc1nccn1CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459511240 467960835 /nfs/dbraw/zinc/96/08/35/467960835.db2.gz OTXGBPAFKCRBLL-UHFFFAOYSA-N 1 0 344.419 2.097 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493800180 467985719 /nfs/dbraw/zinc/98/57/19/467985719.db2.gz YYRJRVLYDUMXLP-OCCSQVGLSA-N 1 0 338.314 2.226 20 5 EEBDRO CCC1CCC([N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000488218908 468077774 /nfs/dbraw/zinc/07/77/74/468077774.db2.gz HIDKQKALOIQHFW-UHFFFAOYSA-N 1 0 349.431 2.457 20 5 EEBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556636 468088336 /nfs/dbraw/zinc/08/83/36/468088336.db2.gz MRCOQTNXCQNXGD-CXAGYDPISA-N 1 0 346.383 2.261 20 5 EEBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000517622841 468090954 /nfs/dbraw/zinc/09/09/54/468090954.db2.gz NCJRABLXIUOLPT-MCIONIFRSA-N 1 0 335.404 2.351 20 5 EEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488870463 468109715 /nfs/dbraw/zinc/10/97/15/468109715.db2.gz CKYRDKKYOVUXNM-UHFFFAOYSA-N 1 0 335.408 2.189 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000489326168 468127766 /nfs/dbraw/zinc/12/77/66/468127766.db2.gz QXVAUSBHPXJLKC-KRWDZBQOSA-N 1 0 344.415 2.417 20 5 EEBDRO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000532667539 468130478 /nfs/dbraw/zinc/13/04/78/468130478.db2.gz MVGKSMVNNFMOHP-UHFFFAOYSA-N 1 0 335.360 2.382 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000590402702 468246905 /nfs/dbraw/zinc/24/69/05/468246905.db2.gz GRDBAIGNTQZJQB-UKRRQHHQSA-N 1 0 346.431 2.360 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000591764384 468517337 /nfs/dbraw/zinc/51/73/37/468517337.db2.gz HHUBKICSPRABBH-VXGBXAGGSA-N 1 0 330.331 2.360 20 5 EEBDRO CC(C)(NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000597442940 468557400 /nfs/dbraw/zinc/55/74/00/468557400.db2.gz ZLURETRCLBVYSW-AWEZNQCLSA-N 1 0 332.404 2.271 20 5 EEBDRO Cc1ccc(NC(=O)CC[NH2+]CCc2ccccc2[N+](=O)[O-])nc1 ZINC000570082334 468587853 /nfs/dbraw/zinc/58/78/53/468587853.db2.gz IYIPXTHNYOQHGO-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600714125 468630445 /nfs/dbraw/zinc/63/04/45/468630445.db2.gz PKPQYFLDAPDETE-AWEZNQCLSA-N 1 0 340.811 2.117 20 5 EEBDRO C[C@@H](O)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594615057 468637194 /nfs/dbraw/zinc/63/71/94/468637194.db2.gz LLXMIRBOBRFSBV-GFCCVEGCSA-N 1 0 330.388 2.341 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000597703789 468644967 /nfs/dbraw/zinc/64/49/67/468644967.db2.gz KBWUATWBCWDFPJ-UHFFFAOYSA-N 1 0 349.435 2.055 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH3+])CC2)cc1SC ZINC000592328460 468678306 /nfs/dbraw/zinc/67/83/06/468678306.db2.gz IQPDOCXAIIGKRV-UHFFFAOYSA-N 1 0 339.417 2.279 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597860256 468696177 /nfs/dbraw/zinc/69/61/77/468696177.db2.gz MSCGUHPUHIQOMT-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000594974874 468736243 /nfs/dbraw/zinc/73/62/43/468736243.db2.gz LFUOHENFFUWXFW-UHFFFAOYSA-N 1 0 326.418 2.432 20 5 EEBDRO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CC[NH+](C)CC1 ZINC000601116522 468747833 /nfs/dbraw/zinc/74/78/33/468747833.db2.gz MLJHDLHOHDAMKW-QMMMGPOBSA-N 1 0 335.330 2.489 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000595046577 468748417 /nfs/dbraw/zinc/74/84/17/468748417.db2.gz AVFXHQGGGHMHMW-NWDGAFQWSA-N 1 0 342.417 2.079 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000601126250 468753006 /nfs/dbraw/zinc/75/30/06/468753006.db2.gz VQBHNWRGLSXYAL-MRXNPFEDSA-N 1 0 332.429 2.414 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147438 468761164 /nfs/dbraw/zinc/76/11/64/468761164.db2.gz NIKOIDLFCDMLDD-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595248422 468792431 /nfs/dbraw/zinc/79/24/31/468792431.db2.gz GZSZIALQVFFXHP-KRWDZBQOSA-N 1 0 325.368 2.488 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1O ZINC000601306638 468818961 /nfs/dbraw/zinc/81/89/61/468818961.db2.gz NOVWNOCBQIOIGB-OUCADQQQSA-N 1 0 326.418 2.205 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595346236 468819407 /nfs/dbraw/zinc/81/94/07/468819407.db2.gz SZCZTTUGPKNMPV-AWEZNQCLSA-N 1 0 341.433 2.008 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560525322 468826712 /nfs/dbraw/zinc/82/67/12/468826712.db2.gz LZFITZFJIAQKTH-PBHICJAKSA-N 1 0 343.431 2.349 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595451099 468857500 /nfs/dbraw/zinc/85/75/00/468857500.db2.gz RFARACAWLHSQNN-GDBMZVCRSA-N 1 0 326.368 2.390 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(F)cc1F ZINC000584405750 468863768 /nfs/dbraw/zinc/86/37/68/468863768.db2.gz YQLOJZNDWSYLKB-ZDUSSCGKSA-N 1 0 338.310 2.403 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593113502 468875514 /nfs/dbraw/zinc/87/55/14/468875514.db2.gz YGMAPMYONIEZKG-LBPRGKRZSA-N 1 0 337.395 2.465 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000595534025 468890001 /nfs/dbraw/zinc/89/00/01/468890001.db2.gz ACIPTVXFDIDSPM-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000561749660 468908236 /nfs/dbraw/zinc/90/82/36/468908236.db2.gz GHDFNNJURWARCJ-GFCCVEGCSA-N 1 0 338.310 2.403 20 5 EEBDRO COC(=O)c1ccnc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000598621794 468937275 /nfs/dbraw/zinc/93/72/75/468937275.db2.gz MTFLSAPZEVEHPU-UHFFFAOYSA-N 1 0 334.376 2.063 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595695889 468958914 /nfs/dbraw/zinc/95/89/14/468958914.db2.gz IYIUCQOSSXQCQS-BLLLJJGKSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595699920 468960115 /nfs/dbraw/zinc/96/01/15/468960115.db2.gz PLKLALRKCSSVHV-CJNGLKHVSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595701167 468961044 /nfs/dbraw/zinc/96/10/44/468961044.db2.gz QVLVPGBAMOHPJO-CJNGLKHVSA-N 1 0 335.404 2.406 20 5 EEBDRO Cn1ccc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602616620 468967056 /nfs/dbraw/zinc/96/70/56/468967056.db2.gz MGYCPQNGIFKMRN-UHFFFAOYSA-N 1 0 345.222 2.485 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716895 468972060 /nfs/dbraw/zinc/97/20/60/468972060.db2.gz VJQCPDUJQJLTBE-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000572704914 468974106 /nfs/dbraw/zinc/97/41/06/468974106.db2.gz HCRIAUBBQFHKMW-INIZCTEOSA-N 1 0 346.383 2.271 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000572834464 469004453 /nfs/dbraw/zinc/00/44/53/469004453.db2.gz LKLHDEKGHANMFR-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610576935 469007727 /nfs/dbraw/zinc/00/77/27/469007727.db2.gz JBOJNHVHEBFSOI-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000595827498 469029306 /nfs/dbraw/zinc/02/93/06/469029306.db2.gz CRLOUMATIVQSKD-OAHLLOKOSA-N 1 0 347.415 2.438 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595870534 469054799 /nfs/dbraw/zinc/05/47/99/469054799.db2.gz HGRVSTAIJXFOIZ-PXAZEXFGSA-N 1 0 335.404 2.182 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978975 469075711 /nfs/dbraw/zinc/07/57/11/469075711.db2.gz SEIYBQCFYRXYLV-UHFFFAOYSA-N 1 0 342.193 2.183 20 5 EEBDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000598991107 469078858 /nfs/dbraw/zinc/07/88/58/469078858.db2.gz HJOIQDPHQVLGGO-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000598990745 469079489 /nfs/dbraw/zinc/07/94/89/469079489.db2.gz DCXHXNKQWSRFOK-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000593665205 469083646 /nfs/dbraw/zinc/08/36/46/469083646.db2.gz CQYWNNHBROFNLL-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000602803575 469086071 /nfs/dbraw/zinc/08/60/71/469086071.db2.gz CTRDRHKFEWVYGF-RULNZOCKSA-N 1 0 336.417 2.188 20 5 EEBDRO CCOc1ccc(NC(=O)CN2CCCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610991105 469132433 /nfs/dbraw/zinc/13/24/33/469132433.db2.gz HCFDMOGFWBBHHD-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO NC(=O)c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596081565 469145694 /nfs/dbraw/zinc/14/56/94/469145694.db2.gz ZWPLUZZYONZMEW-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596140975 469173554 /nfs/dbraw/zinc/17/35/54/469173554.db2.gz VRPZPKPHCVKOOG-AWEZNQCLSA-N 1 0 328.372 2.406 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)n1 ZINC000589136909 469199574 /nfs/dbraw/zinc/19/95/74/469199574.db2.gz OQGXOBYXOFMDCF-FGWVZKOKSA-N 1 0 332.364 2.201 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611253857 469209517 /nfs/dbraw/zinc/20/95/17/469209517.db2.gz FGCLTVKXDLBUCO-AWEZNQCLSA-N 1 0 335.404 2.282 20 5 EEBDRO Cc1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000602303239 469276809 /nfs/dbraw/zinc/27/68/09/469276809.db2.gz RIDGMPWKCPMMJV-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO CC(C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCOCC1 ZINC000602508517 469343633 /nfs/dbraw/zinc/34/36/33/469343633.db2.gz UIGRTEAGWIYRCT-OAHLLOKOSA-N 1 0 348.403 2.182 20 5 EEBDRO Cc1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000603423291 469390317 /nfs/dbraw/zinc/39/03/17/469390317.db2.gz NUZFJJUYPQGMCL-MRXNPFEDSA-N 1 0 348.447 2.112 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000604532750 469488301 /nfs/dbraw/zinc/48/83/01/469488301.db2.gz BSLQCBFLPWJQES-UONOGXRCSA-N 1 0 333.388 2.082 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604561739 469494642 /nfs/dbraw/zinc/49/46/42/469494642.db2.gz VLEUELVKKZXFHS-CQSZACIVSA-N 1 0 334.420 2.386 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000617867838 469828331 /nfs/dbraw/zinc/82/83/31/469828331.db2.gz LXSCKRCYIAFUAW-AWEZNQCLSA-N 1 0 335.404 2.282 20 5 EEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608906277 469886004 /nfs/dbraw/zinc/88/60/04/469886004.db2.gz VVWPDAUGZLEADF-ZDUSSCGKSA-N 1 0 328.372 2.386 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386044 469924793 /nfs/dbraw/zinc/92/47/93/469924793.db2.gz JUJCWYBKLHJZIN-AWEZNQCLSA-N 1 0 334.420 2.386 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000600824837 485629954 /nfs/dbraw/zinc/62/99/54/485629954.db2.gz BVSDYGRSFMSGKA-UHFFFAOYSA-N 1 0 331.294 2.486 20 5 EEBDRO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182917268 518001804 /nfs/dbraw/zinc/00/18/04/518001804.db2.gz PJQYBKCNAIVPHK-LRDDRELGSA-N 1 0 336.388 2.210 20 5 EEBDRO [NH3+]CC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000154325309 534592790 /nfs/dbraw/zinc/59/27/90/534592790.db2.gz KQVLQXAOEQSNCG-UHFFFAOYSA-N 1 0 332.404 2.196 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420467301 528820266 /nfs/dbraw/zinc/82/02/66/528820266.db2.gz WWCKWCPWHQPIAW-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165144369 529206568 /nfs/dbraw/zinc/20/65/68/529206568.db2.gz HNTXAQWFVADXDW-HZPDHXFCSA-N 1 0 335.404 2.273 20 5 EEBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000451398428 535247928 /nfs/dbraw/zinc/24/79/28/535247928.db2.gz DWZDODBLGMPLGW-UHFFFAOYSA-N 1 0 345.403 2.426 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000236669162 535283730 /nfs/dbraw/zinc/28/37/30/535283730.db2.gz ALUHLOVHVBLOES-AWEZNQCLSA-N 1 0 332.404 2.004 20 5 EEBDRO Cc1ccc2nc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000727059281 576393825 /nfs/dbraw/zinc/39/38/25/576393825.db2.gz DUMASKKJCHOZLV-INIZCTEOSA-N 1 0 326.356 2.374 20 5 EEBDRO CC[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032339 577020037 /nfs/dbraw/zinc/02/00/37/577020037.db2.gz IUCUUMKEYPREAH-CYBMUJFWSA-N 1 0 337.376 2.197 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000733160217 577206638 /nfs/dbraw/zinc/20/66/38/577206638.db2.gz CCQDDOJPYKTPHK-UHFFFAOYSA-N 1 0 347.419 2.183 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000774196979 577388311 /nfs/dbraw/zinc/38/83/11/577388311.db2.gz HJHLYBXRFZBCQU-HZSPNIEDSA-N 1 0 334.376 2.500 20 5 EEBDRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550356 577439371 /nfs/dbraw/zinc/43/93/71/577439371.db2.gz ZWFSZRDJFOFVIM-ZDUSSCGKSA-N 1 0 344.433 2.005 20 5 EEBDRO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776606364 577464260 /nfs/dbraw/zinc/46/42/60/577464260.db2.gz VTZGTVBUQCOKPD-QZTJIDSGSA-N 1 0 346.383 2.350 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764964611 577491967 /nfs/dbraw/zinc/49/19/67/577491967.db2.gz UOLAPNUBSRSWPL-HNNXBMFYSA-N 1 0 329.404 2.381 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000766968469 577528103 /nfs/dbraw/zinc/52/81/03/577528103.db2.gz GOXXVMDIBPBVFK-XWIAVFTESA-N 1 0 330.384 2.382 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCOC1 ZINC000770674324 577601397 /nfs/dbraw/zinc/60/13/97/577601397.db2.gz BTYHOOVCTUEWKB-HNNXBMFYSA-N 1 0 342.779 2.450 20 5 EEBDRO CN(C)c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000754065990 577799582 /nfs/dbraw/zinc/79/95/82/577799582.db2.gz KEXSJIVCFKELTM-CQSZACIVSA-N 1 0 342.403 2.137 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000742426735 577872830 /nfs/dbraw/zinc/87/28/30/577872830.db2.gz NQZKUPQTDAGNKZ-OAHLLOKOSA-N 1 0 346.431 2.408 20 5 EEBDRO Cn1cc(C[C@H]2CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000747461260 577944753 /nfs/dbraw/zinc/94/47/53/577944753.db2.gz PANVJUAIOLAECE-CYBMUJFWSA-N 1 0 340.387 2.200 20 5 EEBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C[NH+](C)C ZINC000748327458 577959459 /nfs/dbraw/zinc/95/94/59/577959459.db2.gz SWIXZJSOVFPZQO-LLVKDONJSA-N 1 0 341.383 2.205 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736568855 578212008 /nfs/dbraw/zinc/21/20/08/578212008.db2.gz DCIWFDSKGAJLBS-DGCLKSJQSA-N 1 0 345.407 2.084 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001020494650 674936751 /nfs/dbraw/zinc/93/67/51/674936751.db2.gz WYLHSFOHFVTCLT-GUWHFVFCSA-N 1 0 329.400 2.378 20 5 EEBDRO CCc1oncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020656422 675346928 /nfs/dbraw/zinc/34/69/28/675346928.db2.gz AKLIXBJBPFRFPX-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891587257 676707088 /nfs/dbraw/zinc/70/70/88/676707088.db2.gz SGSRXQYMLLVDSZ-IRXDYDNUSA-N 1 0 346.431 2.453 20 5 EEBDRO C[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000234356447 676794028 /nfs/dbraw/zinc/79/40/28/676794028.db2.gz WZNOFCHJAFENQI-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO Cn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000983461221 682696387 /nfs/dbraw/zinc/69/63/87/682696387.db2.gz KAYGIWRAIKIYHI-KOMQPUFPSA-N 1 0 342.399 2.232 20 5 EEBDRO COc1c(O)ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894413308 682867516 /nfs/dbraw/zinc/86/75/16/682867516.db2.gz LVZJVOHGVVXISE-JSGCOSHPSA-N 1 0 335.404 2.368 20 5 EEBDRO Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025762177 683263490 /nfs/dbraw/zinc/26/34/90/683263490.db2.gz CNANGCSALLXWAM-QLPKVWCKSA-N 1 0 340.383 2.092 20 5 EEBDRO Cc1ncsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020002709 683516242 /nfs/dbraw/zinc/51/62/42/683516242.db2.gz WNBANGKDKYZXDU-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC2(CC2)C1 ZINC001026027999 683761788 /nfs/dbraw/zinc/76/17/88/683761788.db2.gz GJFGUWMCHNDOQJ-FVQHAEBGSA-N 1 0 341.411 2.331 20 5 EEBDRO COC(=O)c1cc(C)nc(N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000895253218 684393007 /nfs/dbraw/zinc/39/30/07/684393007.db2.gz PEQUVGNLZCUKSM-UHFFFAOYSA-N 1 0 348.403 2.197 20 5 EEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000120511947 1198180906 /nfs/dbraw/zinc/18/09/06/1198180906.db2.gz JMBRGSYKRQLLSA-OKILXGFUSA-N 1 0 348.447 2.369 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc2c1OCC2 ZINC001134204963 1199385576 /nfs/dbraw/zinc/38/55/76/1199385576.db2.gz LBLRPXOMIHMFIS-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001134220212 1199404201 /nfs/dbraw/zinc/40/42/01/1199404201.db2.gz IVVREJDFADNMDP-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876568402 1199673617 /nfs/dbraw/zinc/67/36/17/1199673617.db2.gz MAYZNIXGNPFRKD-TVQRCGJNSA-N 1 0 329.759 2.154 20 5 EEBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000877008539 1199842549 /nfs/dbraw/zinc/84/25/49/1199842549.db2.gz SVKXPCTYUAHWRU-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000877346907 1199910113 /nfs/dbraw/zinc/91/01/13/1199910113.db2.gz VGROIIRHHBRFMQ-HNNXBMFYSA-N 1 0 341.367 2.048 20 5 EEBDRO CCc1ccc(C[NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000880246165 1201433776 /nfs/dbraw/zinc/43/37/76/1201433776.db2.gz VMFDRLDJQRCISH-UHFFFAOYSA-N 1 0 343.431 2.172 20 5 EEBDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866254596 1201477068 /nfs/dbraw/zinc/47/70/68/1201477068.db2.gz STUWYVQAYMCDSW-SMDDNHRTSA-N 1 0 339.367 2.485 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000121161318 1201576956 /nfs/dbraw/zinc/57/69/56/1201576956.db2.gz IOOAIMWZSTXOQT-NSHDSACASA-N 1 0 346.387 2.484 20 5 EEBDRO C[C@](N)(C(=O)N1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867982722 1201720386 /nfs/dbraw/zinc/72/03/86/1201720386.db2.gz VBFCAXLOFJVVEY-CQSZACIVSA-N 1 0 339.342 2.417 20 5 EEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000884363971 1202302589 /nfs/dbraw/zinc/30/25/89/1202302589.db2.gz LLXCVDCDFBEZPM-UWVGGRQHSA-N 1 0 342.193 2.213 20 5 EEBDRO COc1cc2c(cc1O)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000887106790 1204203755 /nfs/dbraw/zinc/20/37/55/1204203755.db2.gz NSBMFZJYTORSFT-KRWDZBQOSA-N 1 0 344.367 2.401 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095605604 1205889124 /nfs/dbraw/zinc/88/91/24/1205889124.db2.gz UCJNYOBWOGBNJK-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798924 1206485193 /nfs/dbraw/zinc/48/51/93/1206485193.db2.gz IEBOJYFLWFIHAT-JTQLQIEISA-N 1 0 349.416 2.061 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956286 1206608257 /nfs/dbraw/zinc/60/82/57/1206608257.db2.gz DIKLQRZMYBBONP-AWEZNQCLSA-N 1 0 329.404 2.299 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000931727935 1207450903 /nfs/dbraw/zinc/45/09/03/1207450903.db2.gz GNKVVUUDRDVQKY-DZGCQCFKSA-N 1 0 343.387 2.313 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001111311094 1210128875 /nfs/dbraw/zinc/12/88/75/1210128875.db2.gz MGEPOAHBHSAKML-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1nn(CN(C)CCC[N@H+](C)Cc2ccco2)c(C)c1[N+](=O)[O-] ZINC000795751154 1215044937 /nfs/dbraw/zinc/04/49/37/1215044937.db2.gz IUCLNUBWCGTEDR-UHFFFAOYSA-N 1 0 335.408 2.413 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000902543390 1237844990 /nfs/dbraw/zinc/84/49/90/1237844990.db2.gz SAQTVTZSXCHKLY-OAHLLOKOSA-N 1 0 346.435 2.268 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)c1 ZINC001096903726 1243449220 /nfs/dbraw/zinc/44/92/20/1243449220.db2.gz NJOPJOXKUQDVSR-GASCZTMLSA-N 1 0 346.431 2.035 20 5 EEBDRO CCCN(CCNC(=O)CC[N@H+](C)CC)c1ccc([N+](=O)[O-])cc1 ZINC001101179802 1245487359 /nfs/dbraw/zinc/48/73/59/1245487359.db2.gz WMYXDGXPDGBPIB-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO Cc1ccc(NCCN(C)C(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001101671693 1246109084 /nfs/dbraw/zinc/10/90/84/1246109084.db2.gz AHCAZVIKTIXXAA-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001101672094 1246109909 /nfs/dbraw/zinc/10/99/09/1246109909.db2.gz VLPGAPQXSNCPRK-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101706987 1246154133 /nfs/dbraw/zinc/15/41/33/1246154133.db2.gz WQCZSCQMTBXXMH-UHFFFAOYSA-N 1 0 343.387 2.240 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000102652989 1284277793 /nfs/dbraw/zinc/27/77/93/1284277793.db2.gz XUQCHXSIVKAFQB-LLVKDONJSA-N 1 0 332.360 2.176 20 5 EEBDRO C[N@H+](C[C@H]1CCCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853494511 1292397886 /nfs/dbraw/zinc/39/78/86/1292397886.db2.gz LELLUAMPOTVZEF-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO C[NH+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853497409 1292401152 /nfs/dbraw/zinc/40/11/52/1292401152.db2.gz YLPKGFDMLFDEAZ-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854655169 1292909049 /nfs/dbraw/zinc/90/90/49/1292909049.db2.gz OJVQOFUQIBINNQ-GXFFZTMASA-N 1 0 327.331 2.238 20 5 EEBDRO CC[C@@H]1C[C@@H](C)CN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637207 1296501482 /nfs/dbraw/zinc/50/14/82/1296501482.db2.gz QNVXUEBVSJTCHR-VXGBXAGGSA-N 1 0 332.360 2.489 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218017617 1297548762 /nfs/dbraw/zinc/54/87/62/1297548762.db2.gz VTMIZMJQTMNIQN-GWCFXTLKSA-N 1 0 326.324 2.239 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001218860524 1297839643 /nfs/dbraw/zinc/83/96/43/1297839643.db2.gz ZKWLQNMOJMCJEQ-GHMZBOCLSA-N 1 0 339.374 2.251 20 5 EEBDRO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102207901 1300566662 /nfs/dbraw/zinc/56/66/62/1300566662.db2.gz TYIRQHPWEJCGFL-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 ZINC001225099650 1300890596 /nfs/dbraw/zinc/89/05/96/1300890596.db2.gz MRYYPWQABDECTM-FXUDXRNXSA-N 1 0 343.488 2.122 20 5 EEBDRO COCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225892447 1301191702 /nfs/dbraw/zinc/19/17/02/1301191702.db2.gz BXVXUFNNCMWTAO-UHFFFAOYSA-N 1 0 349.309 2.498 20 5 EEBDRO Cc1ccc(Br)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228052323 1302075785 /nfs/dbraw/zinc/07/57/85/1302075785.db2.gz KWXMOGLKLXOJBF-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)ncc1Br ZINC001228911008 1302517741 /nfs/dbraw/zinc/51/77/41/1302517741.db2.gz ZFWMVBMIXMMHLT-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(I)c(F)n1 ZINC001228960507 1302545349 /nfs/dbraw/zinc/54/53/49/1302545349.db2.gz DZPWLESSEGBWID-QMMMGPOBSA-N 1 0 339.172 2.299 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1n[nH]c(=O)c3cccc([N+](=O)[O-])c31)C2 ZINC001229372983 1302751328 /nfs/dbraw/zinc/75/13/28/1302751328.db2.gz FVBICHZURZBSEM-JGPRNRPPSA-N 1 0 330.344 2.248 20 5 EEBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001229454435 1302791771 /nfs/dbraw/zinc/79/17/71/1302791771.db2.gz MJOUZJUTPDZMQZ-HNNXBMFYSA-N 1 0 329.356 2.272 20 5 EEBDRO CC[NH+]1CCC(Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)CC1 ZINC001229943079 1302993011 /nfs/dbraw/zinc/99/30/11/1302993011.db2.gz SSVQWGVISICRHN-UHFFFAOYSA-N 1 0 326.324 2.384 20 5 EEBDRO C[C@H]1COCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782527261 1304079005 /nfs/dbraw/zinc/07/90/05/1304079005.db2.gz ZXGJCSZGXIBUEA-NSHDSACASA-N 1 0 325.340 2.173 20 5 EEBDRO Cc1cc(N(C)CCCN(C)C(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001112090096 1304222920 /nfs/dbraw/zinc/22/29/20/1304222920.db2.gz QIHNBMKCDLGIAT-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001233666358 1304552734 /nfs/dbraw/zinc/55/27/34/1304552734.db2.gz WJQXKXDZSUSJFL-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO COC(=O)c1cc(O)c(Br)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233907234 1304636641 /nfs/dbraw/zinc/63/66/41/1304636641.db2.gz GEVOFHQKVRDDPO-VIFPVBQESA-O 1 0 347.229 2.415 20 5 EEBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1N1CC[NH+](C)CC1 ZINC001115867543 1305841701 /nfs/dbraw/zinc/84/17/01/1305841701.db2.gz VWQSXZVXHUVLEY-UHFFFAOYSA-N 1 0 343.387 2.235 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001116446910 1305886355 /nfs/dbraw/zinc/88/63/55/1305886355.db2.gz NGPGTOGXUCGQIS-NXEZZACHSA-N 1 0 347.462 2.345 20 5 EEBDRO C[NH2+]CCOc1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001119297037 1309042470 /nfs/dbraw/zinc/04/24/70/1309042470.db2.gz IOZFOXPRROKUFO-UHFFFAOYSA-N 1 0 341.367 2.349 20 5 EEBDRO COc1ccc(C[C@H](C)NC2(C(F)(F)F)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246253386 1310267854 /nfs/dbraw/zinc/26/78/54/1310267854.db2.gz LCZZQRJVFDULNU-VIFPVBQESA-N 1 0 333.310 2.028 20 5 EEBDRO O=C(Cc1ccsc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122946882 1310430373 /nfs/dbraw/zinc/43/03/73/1310430373.db2.gz SBNOCHVPRWYKQP-UHFFFAOYSA-N 1 0 325.415 2.166 20 5 EEBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000837225009 1315062678 /nfs/dbraw/zinc/06/26/78/1315062678.db2.gz JEFFESQQORQXNC-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC000839687701 1315233509 /nfs/dbraw/zinc/23/35/09/1315233509.db2.gz IRHJZJVTGCUORJ-IAGOWNOFSA-N 1 0 346.431 2.068 20 5 EEBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000840141148 1315307577 /nfs/dbraw/zinc/30/75/77/1315307577.db2.gz QBWJGKGFDQXRAT-HUUCEWRRSA-N 1 0 345.403 2.495 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000843062195 1315832537 /nfs/dbraw/zinc/83/25/37/1315832537.db2.gz NHQLIKQQGHYMBM-OWQGQXMQSA-N 1 0 346.383 2.046 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[C@@H]([NH3+])c3ccccc3)n2)n1C ZINC000843221355 1315869810 /nfs/dbraw/zinc/86/98/10/1315869810.db2.gz IBQZCRPFAQFXCR-BXKDBHETSA-N 1 0 342.359 2.490 20 5 EEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000843338844 1315893415 /nfs/dbraw/zinc/89/34/15/1315893415.db2.gz WHALCAQDGQAVRK-GFCCVEGCSA-N 1 0 336.348 2.026 20 5 EEBDRO CN(Cc1nc(C(C)(C)[NH3+])no1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357695 1315900103 /nfs/dbraw/zinc/90/01/03/1315900103.db2.gz NTBZMZQHYFYXRT-UHFFFAOYSA-N 1 0 339.783 2.457 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843481863 1315921616 /nfs/dbraw/zinc/92/16/16/1315921616.db2.gz UAKULRKDJLBBCZ-QWHCGFSZSA-N 1 0 332.404 2.029 20 5 EEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000237942486 1316561898 /nfs/dbraw/zinc/56/18/98/1316561898.db2.gz ATHFDFBSRBQSID-UHFFFAOYSA-N 1 0 341.433 2.186 20 5 EEBDRO O=C(CCCn1cccc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001152026565 1316622906 /nfs/dbraw/zinc/62/29/06/1316622906.db2.gz NDNPGAAXGIAPHB-UHFFFAOYSA-N 1 0 336.417 2.144 20 5 EEBDRO COc1ccncc1-c1noc(C[C@@H]([NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC001249341488 1317056938 /nfs/dbraw/zinc/05/69/38/1317056938.db2.gz AMNWSNBLDCMJMH-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)cn1 ZINC001249342707 1317057397 /nfs/dbraw/zinc/05/73/97/1317057397.db2.gz RESAJUIJJAODBF-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001155461554 1317606497 /nfs/dbraw/zinc/60/64/97/1317606497.db2.gz FYZOROUOUVKXFR-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc1-c1ccc(F)cc1 ZINC001155510695 1317630115 /nfs/dbraw/zinc/63/01/15/1317630115.db2.gz YPIVHHCKCQVXRF-MGPQQGTHSA-N 1 0 344.346 2.195 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@]34C[NH2+]C[C@H]3COC4)ccc21 ZINC001155516929 1317632415 /nfs/dbraw/zinc/63/24/15/1317632415.db2.gz OSZIIQNQRNJSED-QFYYESIMSA-N 1 0 348.790 2.444 20 5 EEBDRO O=[N+]([O-])c1cnc(NCc2cnc3ccccc3c2)nc1C1C[NH2+]C1 ZINC001156176417 1317906777 /nfs/dbraw/zinc/90/67/77/1317906777.db2.gz MKZYMHZHMQYKRN-UHFFFAOYSA-N 1 0 336.355 2.232 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001254465881 1318081007 /nfs/dbraw/zinc/08/10/07/1318081007.db2.gz ITEWBQOOCXTFLC-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccn3)CC2)cc1 ZINC001254468575 1318081408 /nfs/dbraw/zinc/08/14/08/1318081408.db2.gz NRHHVWWBJPMKPE-GOSISDBHSA-N 1 0 342.399 2.282 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3cccnc3)CC2)cc1 ZINC001254472904 1318083349 /nfs/dbraw/zinc/08/33/49/1318083349.db2.gz UJKZTBXVWTZDBK-SFHVURJKSA-N 1 0 342.399 2.282 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccncn3)CC2)cc1 ZINC001254476980 1318083417 /nfs/dbraw/zinc/08/34/17/1318083417.db2.gz YGMSJYMBSSTQFA-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001254480729 1318083612 /nfs/dbraw/zinc/08/36/12/1318083612.db2.gz MLWPEFVXBCTZJB-UHFFFAOYSA-N 1 0 346.431 2.116 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001156628545 1318118115 /nfs/dbraw/zinc/11/81/15/1318118115.db2.gz XXAUZIGNCPOULY-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO COc1cccc([C@@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254577635 1318127657 /nfs/dbraw/zinc/12/76/57/1318127657.db2.gz FZHQNXATJQUCRI-MAUKXSAKSA-N 1 0 328.368 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCC(F)(F)CC1)C2 ZINC001254583110 1318131975 /nfs/dbraw/zinc/13/19/75/1318131975.db2.gz XMOKQROTSCJAQZ-CQSZACIVSA-N 1 0 325.359 2.383 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599083 1318137940 /nfs/dbraw/zinc/13/79/40/1318137940.db2.gz KEKUXJHBIYJWHI-CABCVRRESA-N 1 0 325.372 2.035 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599084 1318138300 /nfs/dbraw/zinc/13/83/00/1318138300.db2.gz KEKUXJHBIYJWHI-GJZGRUSLSA-N 1 0 325.372 2.035 20 5 EEBDRO CC[NH+](CC)C[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606305 1318141632 /nfs/dbraw/zinc/14/16/32/1318141632.db2.gz GHEJXIRJLFBXNR-MSOLQXFVSA-N 1 0 333.432 2.105 20 5 EEBDRO N=C(Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-])SCC[NH3+] ZINC001157128302 1318424083 /nfs/dbraw/zinc/42/40/83/1318424083.db2.gz GJRXKSRCAWCZTH-UHFFFAOYSA-N 1 0 326.769 2.230 20 5 EEBDRO COc1ncnc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001157435459 1318638016 /nfs/dbraw/zinc/63/80/16/1318638016.db2.gz PKYMBNXTHCSGOX-AWEZNQCLSA-N 1 0 343.387 2.152 20 5 EEBDRO Cc1ncn(-c2cc(Cl)cc([N+](=O)[O-])n2)c1CSCC[NH3+] ZINC001157962157 1318949264 /nfs/dbraw/zinc/94/92/64/1318949264.db2.gz UUUUGUKRBZVHCP-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@H](C)C[NH3+])n1 ZINC001160661107 1320224944 /nfs/dbraw/zinc/22/49/44/1320224944.db2.gz CYIZZSIRNNTLJZ-GFCCVEGCSA-N 1 0 345.403 2.303 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NC3CCN([C@H]4CC[NH2+]C4)CC3)ccc21 ZINC001161465034 1320508424 /nfs/dbraw/zinc/50/84/24/1320508424.db2.gz WZNDEBOPKGXUST-AWEZNQCLSA-N 1 0 341.415 2.381 20 5 EEBDRO [NH3+]CCN(c1ccc(F)cc1)c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001161881072 1320660598 /nfs/dbraw/zinc/66/05/98/1320660598.db2.gz SXDYUMQMGQPPSE-UHFFFAOYSA-N 1 0 326.715 2.118 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001162540643 1320892431 /nfs/dbraw/zinc/89/24/31/1320892431.db2.gz ANBHHEXZMBNASS-UHFFFAOYSA-N 1 0 338.751 2.378 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c2ncnc(Cl)c2c1 ZINC001162803582 1320962485 /nfs/dbraw/zinc/96/24/85/1320962485.db2.gz SNOPPNTTYUGERM-XXILOJSOSA-N 1 0 331.763 2.377 20 5 EEBDRO Cc1c(F)cnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163056610 1321025657 /nfs/dbraw/zinc/02/56/57/1321025657.db2.gz TZQVGHGIUALKLE-LBPRGKRZSA-N 1 0 333.367 2.460 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152905 1321052426 /nfs/dbraw/zinc/05/24/26/1321052426.db2.gz IUHDVDGIBLJLQH-KSSFIOAISA-N 1 0 340.383 2.305 20 5 EEBDRO COc1cccc([C@@H](C[NH3+])Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c1 ZINC001163309338 1321093462 /nfs/dbraw/zinc/09/34/62/1321093462.db2.gz LFZKTBCJAHCOGR-GFCCVEGCSA-N 1 0 338.751 2.002 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163312919 1321094713 /nfs/dbraw/zinc/09/47/13/1321094713.db2.gz WMXHIVFMMGGPMC-QFYYESIMSA-N 1 0 347.350 2.000 20 5 EEBDRO Cc1nnc(C[NH3+])n1-c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001163350960 1321103133 /nfs/dbraw/zinc/10/31/33/1321103133.db2.gz IZTHJROTJZCBRP-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163363983 1321105934 /nfs/dbraw/zinc/10/59/34/1321105934.db2.gz BHDQCKCZVZEGRU-WCQYABFASA-N 1 0 336.392 2.307 20 5 EEBDRO CC(=O)N1CCc2cc(N[C@H]3C[NH+]4CCC3CC4)cc([N+](=O)[O-])c21 ZINC001163395879 1321114786 /nfs/dbraw/zinc/11/47/86/1321114786.db2.gz YSEMRAPEQAGGTL-HNNXBMFYSA-N 1 0 330.388 2.010 20 5 EEBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC001163461749 1321131717 /nfs/dbraw/zinc/13/17/17/1321131717.db2.gz JCBXBOGSWQRJPX-CYBMUJFWSA-N 1 0 330.344 2.197 20 5 EEBDRO [NH3+]CCONc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001164428335 1321377424 /nfs/dbraw/zinc/37/74/24/1321377424.db2.gz AYVYFTNIMXWSAW-UHFFFAOYSA-N 1 0 327.138 2.208 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ncc[nH]1 ZINC001164454365 1321384013 /nfs/dbraw/zinc/38/40/13/1321384013.db2.gz SANNLVVDDGWGSY-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO CCOc1nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164612894 1321435593 /nfs/dbraw/zinc/43/55/93/1321435593.db2.gz PGFMAVZRQHHAIS-HNNXBMFYSA-N 1 0 342.399 2.409 20 5 EEBDRO C[NH+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001165144333 1321465272 /nfs/dbraw/zinc/46/52/72/1321465272.db2.gz HWMDMKHPXGOPDU-IUCAKERBSA-N 1 0 332.738 2.186 20 5 EEBDRO C[NH+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]2C1 ZINC001165151880 1321466710 /nfs/dbraw/zinc/46/67/10/1321466710.db2.gz SDCJRJAACVYDHD-UWVGGRQHSA-N 1 0 333.779 2.189 20 5 EEBDRO Nc1cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165305191 1321497721 /nfs/dbraw/zinc/49/77/21/1321497721.db2.gz KCCNJYVYJMOSGB-NSHDSACASA-N 1 0 345.325 2.225 20 5 EEBDRO COC(=O)c1cnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001165319356 1321500218 /nfs/dbraw/zinc/50/02/18/1321500218.db2.gz IOXAAJAXFWPVND-CQSZACIVSA-N 1 0 348.403 2.135 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2CF)CC1 ZINC001165431810 1321525141 /nfs/dbraw/zinc/52/51/41/1321525141.db2.gz RJNGKILIIYKSKY-MFKMUULPSA-N 1 0 331.351 2.051 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]2CF)CC1 ZINC001165436627 1321526034 /nfs/dbraw/zinc/52/60/34/1321526034.db2.gz SNLDSYCJPKGRHH-MNOVXSKESA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1cnc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)c([N+](=O)[O-])c1 ZINC001167019933 1321840092 /nfs/dbraw/zinc/84/00/92/1321840092.db2.gz WBSUSDUSWVZSQT-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](C(C)C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC001307753622 1331547689 /nfs/dbraw/zinc/54/76/89/1331547689.db2.gz WVGGVFVILPDMJW-HNNXBMFYSA-N 1 0 326.393 2.367 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001308072574 1331561542 /nfs/dbraw/zinc/56/15/42/1331561542.db2.gz FFHUVHJEOWOHPZ-UHFFFAOYSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001308079559 1331563192 /nfs/dbraw/zinc/56/31/92/1331563192.db2.gz LWGQLEAULRHDRL-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001308188815 1331571050 /nfs/dbraw/zinc/57/10/50/1331571050.db2.gz MIAOBCMBBKYWEE-UHFFFAOYSA-N 1 0 335.385 2.256 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001326395006 1334083290 /nfs/dbraw/zinc/08/32/90/1334083290.db2.gz UYRGFTYFSUHNFU-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001330851452 1334914511 /nfs/dbraw/zinc/91/45/11/1334914511.db2.gz TZXMMDDFQUQOPP-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC001333684457 1336104934 /nfs/dbraw/zinc/10/49/34/1336104934.db2.gz KEXORHTZFJJVSB-ZDUSSCGKSA-N 1 0 335.795 2.350 20 5 EEBDRO CC[NH+](CC)C1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC001339972187 1337104917 /nfs/dbraw/zinc/10/49/17/1337104917.db2.gz GCFQAKFWIDCQFU-UHFFFAOYSA-N 1 0 346.435 2.412 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1 ZINC001346212583 1337480981 /nfs/dbraw/zinc/48/09/81/1337480981.db2.gz AMDBADRKIRMDSM-MOPGFXCFSA-N 1 0 342.395 2.442 20 5 EEBDRO CN(CCNC(=O)CC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100244658 1338202868 /nfs/dbraw/zinc/20/28/68/1338202868.db2.gz ZCQGVMDLEKBRHG-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001100546648 1338490947 /nfs/dbraw/zinc/49/09/47/1338490947.db2.gz JOGJECLDLPJKKV-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001576118285 1343968517 /nfs/dbraw/zinc/96/85/17/1343968517.db2.gz YEHRSVJEFUTQEA-DGCLKSJQSA-N 1 0 349.387 2.098 20 5 EEBDRO C[C@H]1[NH2+]CCn2c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC001576893370 1344072667 /nfs/dbraw/zinc/07/26/67/1344072667.db2.gz HWZPFVSSBFTVCI-CYBMUJFWSA-N 1 0 342.399 2.375 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc([N+](=O)[O-])c1C ZINC001579142364 1344343067 /nfs/dbraw/zinc/34/30/67/1344343067.db2.gz QFGYFDUVWZZGKH-RHSMWYFYSA-N 1 0 341.367 2.266 20 5 EEBDRO [NH3+]C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001580333539 1344511460 /nfs/dbraw/zinc/51/14/60/1344511460.db2.gz VQVREQJJAWPZQS-JLIMDTESSA-N 1 0 346.309 2.150 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590258858 1349231722 /nfs/dbraw/zinc/23/17/22/1349231722.db2.gz CXBJASLWGPTXKM-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592032767 1349586195 /nfs/dbraw/zinc/58/61/95/1349586195.db2.gz FELDKVLBAAXFBT-LBPRGKRZSA-N 1 0 345.407 2.370 20 5 EEBDRO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592041758 1349586974 /nfs/dbraw/zinc/58/69/74/1349586974.db2.gz LBADNWJJDFWDBF-ZDUSSCGKSA-N 1 0 347.423 2.472 20 5 EEBDRO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCc1ccn2ccnc2c1 ZINC001593488549 1349815786 /nfs/dbraw/zinc/81/57/86/1349815786.db2.gz IEWPFBQBZGLQAC-UHFFFAOYSA-N 1 0 342.344 2.096 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001603080356 1350635998 /nfs/dbraw/zinc/63/59/98/1350635998.db2.gz CRWHPHSVNFJTOG-LLVKDONJSA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001603224015 1350665313 /nfs/dbraw/zinc/66/53/13/1350665313.db2.gz RJVSUADLELQGKR-HNNXBMFYSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001607084146 1351410980 /nfs/dbraw/zinc/41/09/80/1351410980.db2.gz SYHOWOWXEHPCOW-TXEJJXNPSA-N 1 0 328.376 2.397 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853514522 1369343918 /nfs/dbraw/zinc/34/39/18/1369343918.db2.gz DTPPMBVISRIKFF-CQSZACIVSA-N 1 0 344.419 2.225 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000286244227 1369748574 /nfs/dbraw/zinc/74/85/74/1369748574.db2.gz OVAWOJHIZCOIRG-FOSCPWQOSA-N 1 0 335.408 2.139 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855599 1369913320 /nfs/dbraw/zinc/91/33/20/1369913320.db2.gz KNRAVVYCMJZMGI-NOZJJQNGSA-N 1 0 326.784 2.188 20 5 EEBDRO [NH3+]C[C@]12CC[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1Br ZINC000900445171 1369923920 /nfs/dbraw/zinc/92/39/20/1369923920.db2.gz KXQFFQOWXCAKGI-PRHODGIISA-N 1 0 327.182 2.070 20 5 EEBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001118088177 1371776377 /nfs/dbraw/zinc/77/63/77/1371776377.db2.gz ILUCLLLZVUBJJA-ZFWWWQNUSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@@H](COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001123221551 1372109570 /nfs/dbraw/zinc/10/95/70/1372109570.db2.gz SDHOAULVBCRTRN-KGLIPLIRSA-N 1 0 336.388 2.210 20 5 EEBDRO O=C(OC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835098436 1372591548 /nfs/dbraw/zinc/59/15/48/1372591548.db2.gz QUICTRMAFTWHSL-LBPRGKRZSA-N 1 0 331.328 2.364 20 5 EEBDRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC001348966839 1372978286 /nfs/dbraw/zinc/97/82/86/1372978286.db2.gz JQBXXEKUAGZCBM-HNNXBMFYSA-N 1 0 334.328 2.106 20 5 EEBDRO COC1(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001752723139 1406363914 /nfs/dbraw/zinc/36/39/14/1406363914.db2.gz GRBPHEPQPXJLOM-GASCZTMLSA-N 1 0 347.415 2.291 20 5 EEBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1C ZINC001576650450 1403595383 /nfs/dbraw/zinc/59/53/83/1403595383.db2.gz WKFBVROBKSOIBD-OPRDCNLKSA-N 1 0 327.331 2.461 20 5 EEBDRO CC(C)N(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001125665250 760987515 /nfs/dbraw/zinc/98/75/15/760987515.db2.gz HQMRRBFWHUDAKB-UHFFFAOYSA-N 1 0 336.436 2.220 20 5 EEBDRO CC(C)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031661763 770721891 /nfs/dbraw/zinc/72/18/91/770721891.db2.gz HWASPQXTMIUHPL-IAGOWNOFSA-N 1 0 331.416 2.023 20 5 EEBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001106922694 778768648 /nfs/dbraw/zinc/76/86/48/778768648.db2.gz YSFXQWDCDFMPME-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809955261 783559446 /nfs/dbraw/zinc/55/94/46/783559446.db2.gz FSVMJHLUAQZKNX-CQSZACIVSA-N 1 0 327.812 2.135 20 5 EEBDRO CC1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000818568771 785296664 /nfs/dbraw/zinc/29/66/64/785296664.db2.gz NFXYMHICNMSYAQ-UHFFFAOYSA-N 1 0 343.786 2.436 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000818946537 785337629 /nfs/dbraw/zinc/33/76/29/785337629.db2.gz QOGABKZPUDMEMP-QGZVFWFLSA-N 1 0 342.399 2.413 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000818948397 785338279 /nfs/dbraw/zinc/33/82/79/785338279.db2.gz DEQHGIKDHYKGER-KOLCDFICSA-N 1 0 335.187 2.118 20 5 EEBDRO O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000819062383 785407609 /nfs/dbraw/zinc/40/76/09/785407609.db2.gz YMUREQGWSQYJGD-MRXNPFEDSA-N 1 0 329.356 2.007 20 5 EEBDRO C[S@](=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137357 785418702 /nfs/dbraw/zinc/41/87/02/785418702.db2.gz BFZCQMMUQMALPK-MWTRTKDXSA-N 1 0 334.397 2.155 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819164893 785440552 /nfs/dbraw/zinc/44/05/52/785440552.db2.gz XFESPWKTPMOUPG-WBVHZDCISA-N 1 0 347.415 2.009 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000820503338 785961973 /nfs/dbraw/zinc/96/19/73/785961973.db2.gz GNMRAUAQTFQEDS-BBRMVZONSA-N 1 0 346.431 2.360 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C[NH+]2CCCC2)c1 ZINC001107201542 786351108 /nfs/dbraw/zinc/35/11/08/786351108.db2.gz ULFVLCVIOMUJTP-NSCUHMNNSA-N 1 0 332.404 2.083 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC/C=C/CNC(=O)CCCC[NH+](C)C ZINC001107269740 786670088 /nfs/dbraw/zinc/67/00/88/786670088.db2.gz WWCXCSSLRGGOJW-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821390835 786723759 /nfs/dbraw/zinc/72/37/59/786723759.db2.gz FJYYMANKWMJSJU-AWEZNQCLSA-N 1 0 329.828 2.381 20 5 EEBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000824003033 787996790 /nfs/dbraw/zinc/99/67/90/787996790.db2.gz MFAZGKXYCCRVRR-RYUDHWBXSA-N 1 0 335.408 2.419 20 5 EEBDRO Nc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000824003339 787997515 /nfs/dbraw/zinc/99/75/15/787997515.db2.gz XXHPQDROIHQDFX-CYBMUJFWSA-N 1 0 333.392 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1Cl ZINC000824584186 788246979 /nfs/dbraw/zinc/24/69/79/788246979.db2.gz WQMOWJJVHJGIRY-ZDUSSCGKSA-N 1 0 327.812 2.185 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000055748226 789235087 /nfs/dbraw/zinc/23/50/87/789235087.db2.gz GIWMTPZLUSLSOC-JHJVBQTASA-N 1 0 334.420 2.273 20 5 EEBDRO Cc1c(CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)cccc1[N+](=O)[O-] ZINC000923561216 789771997 /nfs/dbraw/zinc/77/19/97/789771997.db2.gz VOLHBEQQLVJBLF-RTBURBONSA-N 1 0 341.411 2.238 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(C1)CCOCC2 ZINC001147725253 791926793 /nfs/dbraw/zinc/92/67/93/791926793.db2.gz CQLGAUWAOGLZAG-UHFFFAOYSA-N 1 0 347.415 2.007 20 5 EEBDRO O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC001093994488 795843300 /nfs/dbraw/zinc/84/33/00/795843300.db2.gz JHZLXFOUHQYCLL-UHFFFAOYSA-N 1 0 343.318 2.224 20 5 EEBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001106777484 796515964 /nfs/dbraw/zinc/51/59/64/796515964.db2.gz XFIKWVFOZSCHPZ-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO Cc1cc(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001170047662 806515175 /nfs/dbraw/zinc/51/51/75/806515175.db2.gz QMJKCIPPUBGLCC-SECBINFHSA-N 1 0 330.182 2.066 20 5 EEBDRO C[NH+](C)C[C@H]1COCCN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918846 797150341 /nfs/dbraw/zinc/15/03/41/797150341.db2.gz CPGZYZPTIBAXPQ-AEFFLSMTSA-N 1 0 333.432 2.105 20 5 EEBDRO CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CC[N@H+](C)CC ZINC001106841593 797297022 /nfs/dbraw/zinc/29/70/22/797297022.db2.gz KUHYTZVPVXKGMK-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COC(=O)c1cncc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173222283 797304420 /nfs/dbraw/zinc/30/44/20/797304420.db2.gz VZPSPBLFHPCPFN-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001173238543 797324782 /nfs/dbraw/zinc/32/47/82/797324782.db2.gz VEDZVOPOPPXQSA-CZUORRHYSA-N 1 0 328.372 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC001110169347 797377128 /nfs/dbraw/zinc/37/71/28/797377128.db2.gz NEEDESAOKCWHIT-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)CCC[NH+](C)C)CC2)n1 ZINC001095246101 797557934 /nfs/dbraw/zinc/55/79/34/797557934.db2.gz COZGLHHSRZYSCA-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CC/C=C/[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173694344 797603774 /nfs/dbraw/zinc/60/37/74/797603774.db2.gz MUDYLUGXUCGOFH-XCVCLJGOSA-N 1 0 339.417 2.261 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000916979173 798008357 /nfs/dbraw/zinc/00/83/57/798008357.db2.gz KBMIXTOBKBEANG-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917661437 798311947 /nfs/dbraw/zinc/31/19/47/798311947.db2.gz ZEQZOESPKINSFQ-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO CN(C)c1cc[nH+]c(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000922478038 801143144 /nfs/dbraw/zinc/14/31/44/801143144.db2.gz IOTYWMHFBOAWSB-UHFFFAOYSA-N 1 0 344.371 2.117 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000786818593 806912124 /nfs/dbraw/zinc/91/21/24/806912124.db2.gz JXTRHJWEOGFISP-KPKJPENVSA-N 1 0 331.332 2.393 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946589426 801543524 /nfs/dbraw/zinc/54/35/24/801543524.db2.gz YQADDKKVWJHTKI-XMTFNYHQSA-N 1 0 347.459 2.322 20 5 EEBDRO Cc1ncoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086055828 802025709 /nfs/dbraw/zinc/02/57/09/802025709.db2.gz MFMLVPMDXXBANS-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC1COC1 ZINC001168972474 803555727 /nfs/dbraw/zinc/55/57/27/803555727.db2.gz NAYYUCNETQJVNK-ZIAGYGMSSA-N 1 0 336.388 2.008 20 5 EEBDRO O=C1CCCCN1c1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168995577 803561995 /nfs/dbraw/zinc/56/19/95/803561995.db2.gz SBJYNELRJCCXOW-HUUCEWRRSA-N 1 0 332.404 2.134 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC001168996051 803562413 /nfs/dbraw/zinc/56/24/13/803562413.db2.gz UNWOHRDCESHZHR-NVXWUHKLSA-N 1 0 333.432 2.392 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2c3ccccc3nc2N2CC[NH2+]CC2)C1 ZINC001169038769 803581840 /nfs/dbraw/zinc/58/18/40/803581840.db2.gz KIWYHGPNFUBYSV-UONOGXRCSA-N 1 0 329.404 2.064 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169020721 803588395 /nfs/dbraw/zinc/58/83/95/803588395.db2.gz MCCFRAUDVFFDSV-LAQRGFTBSA-N 1 0 347.415 2.139 20 5 EEBDRO COc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169050618 803595351 /nfs/dbraw/zinc/59/53/51/803595351.db2.gz BYRBVNDDNZMDKD-IJEWVQPXSA-N 1 0 335.404 2.379 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001169076225 803605928 /nfs/dbraw/zinc/60/59/28/803605928.db2.gz URWCTQOUOKFREA-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001169191356 803645239 /nfs/dbraw/zinc/64/52/39/803645239.db2.gz DRRFOHUGTQTCCL-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO [NH3+]CCc1cn(-c2ncc3cccc([N+](=O)[O-])c3n2)c2cccnc12 ZINC001169708553 803979705 /nfs/dbraw/zinc/97/97/05/803979705.db2.gz KHSQJUIUPQIOFD-UHFFFAOYSA-N 1 0 334.339 2.378 20 5 EEBDRO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001109465854 805510090 /nfs/dbraw/zinc/51/00/90/805510090.db2.gz XFZWWRXQFKBFQV-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437684 807513261 /nfs/dbraw/zinc/51/32/61/807513261.db2.gz SNTNNONAXJABBA-HEWAKGLMSA-N 1 0 342.465 2.412 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170327355 809892262 /nfs/dbraw/zinc/89/22/62/809892262.db2.gz QCEZPDULZHWQQS-YVEFUNNKSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3ncncc3C2)c([N+](=O)[O-])c1 ZINC001170345826 809916087 /nfs/dbraw/zinc/91/60/87/809916087.db2.gz MLSVJHCOXZTPHO-LBPRGKRZSA-N 1 0 328.372 2.383 20 5 EEBDRO COc1ccc(C[C@@H](C)n2c(=N)sc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001170345386 809916245 /nfs/dbraw/zinc/91/62/45/809916245.db2.gz JPYSSAHKYMXCCH-SNVBAGLBSA-N 1 0 348.428 2.395 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC001131604201 813006983 /nfs/dbraw/zinc/00/69/83/813006983.db2.gz OMJVYJSFWIIKBM-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174559135 231241051 /nfs/dbraw/zinc/24/10/51/231241051.db2.gz XBQWOPYAAOLBQH-INIZCTEOSA-N 1 0 331.416 2.472 20 5 EEBDRO C[NH2+]CCCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000121661643 290655013 /nfs/dbraw/zinc/65/50/13/290655013.db2.gz QIKDBDZJOQEUAE-KBPBESRZSA-N 1 0 348.447 2.416 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055531 529804382 /nfs/dbraw/zinc/80/43/82/529804382.db2.gz OZEBXLYTHDGQPL-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCSC1 ZINC000129441071 529871430 /nfs/dbraw/zinc/87/14/30/529871430.db2.gz QGFGLNHRNWQKKD-LLVKDONJSA-N 1 0 327.381 2.500 20 5 EEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCC[C@@H]1O ZINC000181430376 529980123 /nfs/dbraw/zinc/98/01/23/529980123.db2.gz SBTXIIIRZABJKC-WBMJQRKESA-N 1 0 336.388 2.444 20 5 EEBDRO C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000193896077 240351713 /nfs/dbraw/zinc/35/17/13/240351713.db2.gz RXKMQIQEBBJIGD-SJKOYZFVSA-N 1 0 325.368 2.487 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000129968954 223108347 /nfs/dbraw/zinc/10/83/47/223108347.db2.gz OLOVGMLQYWUBJN-NSHDSACASA-N 1 0 341.795 2.133 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000416305626 239175578 /nfs/dbraw/zinc/17/55/78/239175578.db2.gz BPTYQFYOBJVRKV-UHFFFAOYSA-N 1 0 329.303 2.020 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1SC ZINC000193574723 240218261 /nfs/dbraw/zinc/21/82/61/240218261.db2.gz ACGIBBJCJXFCGK-MWLCHTKSSA-N 1 0 339.417 2.196 20 5 EEBDRO COc1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000429919498 241836948 /nfs/dbraw/zinc/83/69/48/241836948.db2.gz RECITAQPYKLPJM-GFCCVEGCSA-N 1 0 335.404 2.245 20 5 EEBDRO CN(C)c1ncc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000446831099 242223763 /nfs/dbraw/zinc/22/37/63/242223763.db2.gz ALIHVGNJZHWZJQ-UHFFFAOYSA-N 1 0 332.389 2.283 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447807834 242320389 /nfs/dbraw/zinc/32/03/89/242320389.db2.gz RQFFPUXQKKYACR-HNNXBMFYSA-N 1 0 334.420 2.487 20 5 EEBDRO CN(CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000237048794 242459849 /nfs/dbraw/zinc/45/98/49/242459849.db2.gz CYRCXCGEDUTMIW-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449616147 242575918 /nfs/dbraw/zinc/57/59/18/242575918.db2.gz OXKXJYWGUGTJCP-PHDAOHEYSA-N 1 0 346.431 2.419 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642012 242581003 /nfs/dbraw/zinc/58/10/03/242581003.db2.gz WFPYIVGEVXJNQE-KGLIPLIRSA-N 1 0 334.420 2.421 20 5 EEBDRO C[C@H]1CN(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542805 243150566 /nfs/dbraw/zinc/15/05/66/243150566.db2.gz AFZWQBIWXHZHRK-RDJZCZTQSA-N 1 0 333.432 2.495 20 5 EEBDRO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549159 243152507 /nfs/dbraw/zinc/15/25/07/243152507.db2.gz PBLGVRACBIXSIF-NVXWUHKLSA-N 1 0 333.432 2.495 20 5 EEBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000451705190 243215829 /nfs/dbraw/zinc/21/58/29/243215829.db2.gz HYPPSSMAXZOGOK-MRXNPFEDSA-N 1 0 343.431 2.245 20 5 EEBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000451600441 243171910 /nfs/dbraw/zinc/17/19/10/243171910.db2.gz RTFSPUOTAGQHBI-GDBMZVCRSA-N 1 0 337.420 2.072 20 5 EEBDRO CNc1nc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000456016174 244132185 /nfs/dbraw/zinc/13/21/85/244132185.db2.gz HZVGJWLXKWEQEH-LBPRGKRZSA-N 1 0 335.408 2.026 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000456352020 244226518 /nfs/dbraw/zinc/22/65/18/244226518.db2.gz MXWPPHMINDWRGZ-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO CNc1c(C(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000456688057 244327748 /nfs/dbraw/zinc/32/77/48/244327748.db2.gz ZFJAXQRSUMODOU-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262565449 245036390 /nfs/dbraw/zinc/03/63/90/245036390.db2.gz CQHRTGNGHDCWAQ-LLVKDONJSA-N 1 0 346.412 2.448 20 5 EEBDRO Cc1c(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000262839605 245206723 /nfs/dbraw/zinc/20/67/23/245206723.db2.gz RBYMOOZPJFGAJX-GFCCVEGCSA-N 1 0 329.360 2.277 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459755449 245237676 /nfs/dbraw/zinc/23/76/76/245237676.db2.gz OQTQFCXJLSGOLT-NWDGAFQWSA-N 1 0 331.376 2.396 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459793748 245250165 /nfs/dbraw/zinc/25/01/65/245250165.db2.gz OZTZVFZBQOTYFM-NSHDSACASA-N 1 0 347.375 2.016 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000111249175 220123259 /nfs/dbraw/zinc/12/32/59/220123259.db2.gz JUIAAUWSUNHEIM-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO COCCOCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263776727 245657742 /nfs/dbraw/zinc/65/77/42/245657742.db2.gz DSNVODCIDAXQMK-UHFFFAOYSA-N 1 0 348.403 2.138 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491842224 246175489 /nfs/dbraw/zinc/17/54/89/246175489.db2.gz GLFXIYLWWJSOOH-VQOXYXNASA-N 1 0 333.363 2.442 20 5 EEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1C ZINC000491986781 246245726 /nfs/dbraw/zinc/24/57/26/246245726.db2.gz NGUWITJSPGOWBD-VXGBXAGGSA-N 1 0 334.376 2.446 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000493511720 246697784 /nfs/dbraw/zinc/69/77/84/246697784.db2.gz ALVGHCHBBRHYIC-CJHWANRJSA-N 1 0 335.257 2.143 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](C4CCC4)CC3)n2)c1 ZINC000264972463 247099635 /nfs/dbraw/zinc/09/96/35/247099635.db2.gz INQMLFSVIORFDD-UHFFFAOYSA-N 1 0 343.387 2.315 20 5 EEBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265048233 247161513 /nfs/dbraw/zinc/16/15/13/247161513.db2.gz PDLZDTBYFFQEJM-IAGOWNOFSA-N 1 0 347.415 2.109 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103245 248098330 /nfs/dbraw/zinc/09/83/30/248098330.db2.gz SGYATZCGUONJGY-ZBEGNZNMSA-N 1 0 330.388 2.488 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000266134951 248121333 /nfs/dbraw/zinc/12/13/33/248121333.db2.gz FKBZXKOSPGCMTB-QGZVFWFLSA-N 1 0 336.436 2.287 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000266327371 248249695 /nfs/dbraw/zinc/24/96/95/248249695.db2.gz TWHLMHMTQJELGX-INIZCTEOSA-N 1 0 344.415 2.492 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000266528398 248346488 /nfs/dbraw/zinc/34/64/88/248346488.db2.gz LEFPNSAJAPSSQG-SJLPKXTDSA-N 1 0 344.415 2.249 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353393258 284650300 /nfs/dbraw/zinc/65/03/00/284650300.db2.gz ZIINXMWCFNEFMR-UWVGGRQHSA-N 1 0 343.305 2.295 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091985109 218097720 /nfs/dbraw/zinc/09/77/20/218097720.db2.gz FFSVNLIIEYZVHP-GFCCVEGCSA-N 1 0 346.387 2.236 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000171927317 227367132 /nfs/dbraw/zinc/36/71/32/227367132.db2.gz KZODONHUXYVMHN-CYBMUJFWSA-N 1 0 345.403 2.037 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000113515774 220561992 /nfs/dbraw/zinc/56/19/92/220561992.db2.gz WUNKGBOQGUDVLR-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO C[NH+](C)Cc1ccc(-c2noc(CCn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000267101728 256026906 /nfs/dbraw/zinc/02/69/06/256026906.db2.gz WHUCWLWYYQVHEP-UHFFFAOYSA-N 1 0 342.359 2.146 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCSC1 ZINC000267154905 256032885 /nfs/dbraw/zinc/03/28/85/256032885.db2.gz XLNVCDMOFOTQHR-MRXNPFEDSA-N 1 0 348.428 2.243 20 5 EEBDRO CCOc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123879 256210199 /nfs/dbraw/zinc/21/01/99/256210199.db2.gz KAPDJYPKSFNBKG-HIFRSBDPSA-N 1 0 337.420 2.101 20 5 EEBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000270860745 256180629 /nfs/dbraw/zinc/18/06/29/256180629.db2.gz ICGNFSFCXXXVRO-RULNRJAQSA-N 1 0 341.795 2.278 20 5 EEBDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000271734912 256238958 /nfs/dbraw/zinc/23/89/58/256238958.db2.gz TZAZTNYDEFOIRD-DOTOQJQBSA-N 1 0 332.404 2.448 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000273272004 256282645 /nfs/dbraw/zinc/28/26/45/256282645.db2.gz GPXWJDWHLZEUIJ-RYUDHWBXSA-N 1 0 331.376 2.315 20 5 EEBDRO C[C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000178344252 140857575 /nfs/dbraw/zinc/85/75/75/140857575.db2.gz PCCDKIORHCRZBZ-ZIAGYGMSSA-N 1 0 334.420 2.149 20 5 EEBDRO Cc1c(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000120864040 292258391 /nfs/dbraw/zinc/25/83/91/292258391.db2.gz ZSVDXDQREZADSJ-MRXNPFEDSA-N 1 0 349.431 2.015 20 5 EEBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352203504 153003027 /nfs/dbraw/zinc/00/30/27/153003027.db2.gz SGMIVMSDLNGPAZ-UWVGGRQHSA-N 1 0 329.784 2.278 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000255676385 160397858 /nfs/dbraw/zinc/39/78/58/160397858.db2.gz XTCLUBNPTCDQMB-IMMZDGJCSA-N 1 0 331.416 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000305457661 160516727 /nfs/dbraw/zinc/51/67/27/160516727.db2.gz ULTONUJWAOTMQA-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000081995545 159159587 /nfs/dbraw/zinc/15/95/87/159159587.db2.gz MGPSVEGPHSHBLR-UHFFFAOYSA-N 1 0 341.433 2.276 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104530967 159287570 /nfs/dbraw/zinc/28/75/70/159287570.db2.gz LFCZUHNSQAXXRN-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367272585 165936814 /nfs/dbraw/zinc/93/68/14/165936814.db2.gz VJVMTXNSWISQFC-JKSUJKDBSA-N 1 0 346.431 2.406 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000341772319 161012264 /nfs/dbraw/zinc/01/22/64/161012264.db2.gz LGQIZFVRAZMADD-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CNc1c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342738415 161087062 /nfs/dbraw/zinc/08/70/62/161087062.db2.gz JGLPCWMFXSGDKQ-QWHCGFSZSA-N 1 0 332.404 2.335 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344843254 161250280 /nfs/dbraw/zinc/25/02/80/161250280.db2.gz FPBUROOYQPKKBB-YQCJOKCJSA-N 1 0 326.418 2.411 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000346672356 161390564 /nfs/dbraw/zinc/39/05/64/161390564.db2.gz UGWFJLLPOZFGFE-JSGCOSHPSA-N 1 0 349.387 2.115 20 5 EEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000349042245 161503134 /nfs/dbraw/zinc/50/31/34/161503134.db2.gz CFZJECAMBKTTRJ-LBPRGKRZSA-N 1 0 342.355 2.067 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352803243 162293611 /nfs/dbraw/zinc/29/36/11/162293611.db2.gz YGDXLWGCBKHDCT-MFKMUULPSA-N 1 0 339.417 2.273 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352818745 162298506 /nfs/dbraw/zinc/29/85/06/162298506.db2.gz VZCWKPXXEYUWCC-MFKMUULPSA-N 1 0 339.417 2.273 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000358916244 164015077 /nfs/dbraw/zinc/01/50/77/164015077.db2.gz RTIRAFMMQNDHPS-SECBINFHSA-N 1 0 349.309 2.264 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000360251834 164268331 /nfs/dbraw/zinc/26/83/31/164268331.db2.gz UEYDTLRYCUPWJA-UHFFFAOYSA-N 1 0 336.373 2.165 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)C1 ZINC000368304825 166086529 /nfs/dbraw/zinc/08/65/29/166086529.db2.gz QMQLJFBFBLOGJU-GOSISDBHSA-N 1 0 344.415 2.019 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000372444905 166720772 /nfs/dbraw/zinc/72/07/72/166720772.db2.gz HKOWOWNKRWYSEL-GFCCVEGCSA-N 1 0 341.795 2.275 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000374439054 167043228 /nfs/dbraw/zinc/04/32/28/167043228.db2.gz SYWPWKRHKZELMN-HNNXBMFYSA-N 1 0 333.388 2.208 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000378188621 167636210 /nfs/dbraw/zinc/63/62/10/167636210.db2.gz UBDNZSNVJWLRNQ-UHFFFAOYSA-N 1 0 341.367 2.412 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158454990 225018978 /nfs/dbraw/zinc/01/89/78/225018978.db2.gz JZPLRIOVRQKMJJ-SFHVURJKSA-N 1 0 344.415 2.021 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237644757 268659185 /nfs/dbraw/zinc/65/91/85/268659185.db2.gz JATMQWYLDXLOLF-SUMWQHHRSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278033491 269207624 /nfs/dbraw/zinc/20/76/24/269207624.db2.gz RFSOIVPNXOCEOW-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279897072 269313836 /nfs/dbraw/zinc/31/38/36/269313836.db2.gz DHXBZIBDISRIDM-CXAGYDPISA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@]1(O)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000280202239 269337780 /nfs/dbraw/zinc/33/77/80/269337780.db2.gz UQLCRWGARBTWKT-INIZCTEOSA-N 1 0 332.360 2.382 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000270998780 274122028 /nfs/dbraw/zinc/12/20/28/274122028.db2.gz FUNDZJIYCDZGMK-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000271846503 274158981 /nfs/dbraw/zinc/15/89/81/274158981.db2.gz VQNXYQVCEUUMGA-CZUORRHYSA-N 1 0 332.404 2.108 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000277563444 274310297 /nfs/dbraw/zinc/31/02/97/274310297.db2.gz KGMYVGMSRMXVRS-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(N2CCOCC2)CC1)C1CC1 ZINC000278396641 274351194 /nfs/dbraw/zinc/35/11/94/274351194.db2.gz GHXCYMKKNLZBMC-KRWDZBQOSA-N 1 0 345.443 2.370 20 5 EEBDRO C[C@@H]1C[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000359608179 274397652 /nfs/dbraw/zinc/39/76/52/274397652.db2.gz DOOVVNRSVFKPFO-CHWSQXEVSA-N 1 0 333.388 2.046 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]3CCO)n2)c1 ZINC000279373616 274470733 /nfs/dbraw/zinc/47/07/33/274470733.db2.gz XGMGSTPPFMNYOQ-BXUZGUMPSA-N 1 0 332.360 2.286 20 5 EEBDRO CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000285672084 274772488 /nfs/dbraw/zinc/77/24/88/274772488.db2.gz PZMANNOHIHHYDH-UONOGXRCSA-N 1 0 331.388 2.350 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286940428 274920298 /nfs/dbraw/zinc/92/02/98/274920298.db2.gz FCBSAKLOBSIGJR-CJNGLKHVSA-N 1 0 333.388 2.059 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237899508 274947936 /nfs/dbraw/zinc/94/79/36/274947936.db2.gz CPDFLYJNYJWXTC-LRDDRELGSA-N 1 0 343.387 2.028 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288527081 275067109 /nfs/dbraw/zinc/06/71/09/275067109.db2.gz UIRHESCOUUSXHP-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000289095498 275099124 /nfs/dbraw/zinc/09/91/24/275099124.db2.gz RCKPLAFUAIRWRJ-LBPRGKRZSA-N 1 0 337.767 2.004 20 5 EEBDRO CCc1nn(C)c(NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000289801975 275150179 /nfs/dbraw/zinc/15/01/79/275150179.db2.gz YLKCGJYANCBEJK-UHFFFAOYSA-N 1 0 344.419 2.362 20 5 EEBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290956656 275255412 /nfs/dbraw/zinc/25/54/12/275255412.db2.gz NWLAYJJYYWGEDV-VXGBXAGGSA-N 1 0 347.419 2.154 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000291600384 275321636 /nfs/dbraw/zinc/32/16/36/275321636.db2.gz RTKIYQWVXKCRDH-LLVKDONJSA-N 1 0 333.392 2.321 20 5 EEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214392 275395040 /nfs/dbraw/zinc/39/50/40/275395040.db2.gz ONYYLDOTLRPGRD-SUMWQHHRSA-N 1 0 343.383 2.221 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000292581596 275450540 /nfs/dbraw/zinc/45/05/40/275450540.db2.gz UNVQTDCIFHPLFO-ZDUSSCGKSA-N 1 0 338.839 2.464 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000349243377 276573255 /nfs/dbraw/zinc/57/32/55/276573255.db2.gz BJRCRZBLUKSXHI-CHWSQXEVSA-N 1 0 326.418 2.471 20 5 EEBDRO C[NH2+]CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000063166318 277265276 /nfs/dbraw/zinc/26/52/76/277265276.db2.gz VATRARRQCWBNIJ-UHFFFAOYSA-N 1 0 329.198 2.188 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000069869874 277936469 /nfs/dbraw/zinc/93/64/69/277936469.db2.gz ZEQMHKLVEKYUNC-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000237663742 278744667 /nfs/dbraw/zinc/74/46/67/278744667.db2.gz CPBWODASBAMSBR-GXTWGEPZSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]2CCCCN12 ZINC000338032962 280272314 /nfs/dbraw/zinc/27/23/14/280272314.db2.gz XHUGUYUGKZJNLU-QPSCCSFWSA-N 1 0 347.419 2.018 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287481703 293064166 /nfs/dbraw/zinc/06/41/66/293064166.db2.gz SHTUEGNIIHKUQN-AWEZNQCLSA-N 1 0 347.415 2.438 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293247652 293161629 /nfs/dbraw/zinc/16/16/29/293161629.db2.gz FPQXYQXXHNCCJV-BBRMVZONSA-N 1 0 344.415 2.019 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000297454150 294248540 /nfs/dbraw/zinc/24/85/40/294248540.db2.gz WNXSUGQVNPSDMB-CYBMUJFWSA-N 1 0 332.404 2.006 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000158200001 311325436 /nfs/dbraw/zinc/32/54/36/311325436.db2.gz YQDVKNIDNWLBTP-UHFFFAOYSA-N 1 0 339.392 2.025 20 5 EEBDRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000161376171 311365396 /nfs/dbraw/zinc/36/53/96/311365396.db2.gz PWCDMUFDYLFOFT-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332419739 312004868 /nfs/dbraw/zinc/00/48/68/312004868.db2.gz PUNMJSUXDNVTOM-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414951843 313114147 /nfs/dbraw/zinc/11/41/47/313114147.db2.gz QEWFWJCJKOKTTN-DTWKUNHWSA-N 1 0 344.318 2.445 20 5 EEBDRO [NH3+][C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418494892 313828279 /nfs/dbraw/zinc/82/82/79/313828279.db2.gz ZMGRHGGEIIKPFK-GDBMZVCRSA-N 1 0 332.404 2.221 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430602468 314557125 /nfs/dbraw/zinc/55/71/25/314557125.db2.gz LFHQCVOXBYEFTQ-KGLIPLIRSA-N 1 0 334.420 2.162 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000431571449 314643096 /nfs/dbraw/zinc/64/30/96/314643096.db2.gz RGCNXXDUFBNAQK-OLZOCXBDSA-N 1 0 337.424 2.257 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000440080450 315110635 /nfs/dbraw/zinc/11/06/35/315110635.db2.gz NVAHVZUNTBWDPI-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448825697 315388362 /nfs/dbraw/zinc/38/83/62/315388362.db2.gz XFIBRAHRGUJGEA-CQSZACIVSA-N 1 0 347.415 2.406 20 5 EEBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459545570 315758015 /nfs/dbraw/zinc/75/80/15/315758015.db2.gz SKUGIQKSLOYRBY-INIZCTEOSA-N 1 0 349.431 2.361 20 5 EEBDRO C[NH2+]CCCOc1ccc(I)cc1[N+](=O)[O-] ZINC000517560612 316675156 /nfs/dbraw/zinc/67/51/56/316675156.db2.gz PREXBJDNKAJAGW-UHFFFAOYSA-N 1 0 336.129 2.188 20 5 EEBDRO [NH3+]Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000518985179 316755980 /nfs/dbraw/zinc/75/59/80/316755980.db2.gz PXBLRFHBPMVDOL-UHFFFAOYSA-N 1 0 326.356 2.253 20 5 EEBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503340 318159984 /nfs/dbraw/zinc/15/99/84/318159984.db2.gz NDYICHPIOJKPBM-HIFRSBDPSA-N 1 0 348.403 2.463 20 5 EEBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503339 318160009 /nfs/dbraw/zinc/16/00/09/318160009.db2.gz NDYICHPIOJKPBM-DZGCQCFKSA-N 1 0 348.403 2.463 20 5 EEBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc21 ZINC000548091590 318353966 /nfs/dbraw/zinc/35/39/66/318353966.db2.gz LDCKMAVZNPADLD-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000564446614 319085822 /nfs/dbraw/zinc/08/58/22/319085822.db2.gz LANVVSAXPHQDHQ-UHFFFAOYSA-N 1 0 343.449 2.118 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000565005193 319137595 /nfs/dbraw/zinc/13/75/95/319137595.db2.gz RJTGPRUMRNLXPD-SFYZADRCSA-N 1 0 330.182 2.213 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000566004832 319234379 /nfs/dbraw/zinc/23/43/79/319234379.db2.gz FZKYDROBDJRJHY-GJZGRUSLSA-N 1 0 331.372 2.470 20 5 EEBDRO C[C@@H](COCC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566108813 319245533 /nfs/dbraw/zinc/24/55/33/319245533.db2.gz HQCRYPVMWNNTHU-JTQLQIEISA-N 1 0 349.309 2.480 20 5 EEBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000566312556 319273856 /nfs/dbraw/zinc/27/38/56/319273856.db2.gz ODWZSTBEFAYMJP-KRWDZBQOSA-N 1 0 328.372 2.317 20 5 EEBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000566451739 319289920 /nfs/dbraw/zinc/28/99/20/319289920.db2.gz DXDLVYZNVXZPHH-UHFFFAOYSA-N 1 0 344.375 2.242 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1COc2ccccc21 ZINC000567465302 319382199 /nfs/dbraw/zinc/38/21/99/319382199.db2.gz XXZXYRQPGVQURY-UONOGXRCSA-N 1 0 344.367 2.100 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578040665 320290952 /nfs/dbraw/zinc/29/09/52/320290952.db2.gz HIUDCTIEGKHFRS-CYBMUJFWSA-N 1 0 330.388 2.171 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000580873738 324143354 /nfs/dbraw/zinc/14/33/54/324143354.db2.gz FPTCLKSWFBSILF-AWEZNQCLSA-N 1 0 347.415 2.404 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000581022535 324171701 /nfs/dbraw/zinc/17/17/01/324171701.db2.gz YIFGJYRNZMRQTN-AWEZNQCLSA-N 1 0 335.404 2.295 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000581306229 324226486 /nfs/dbraw/zinc/22/64/86/324226486.db2.gz WOJHMPXCHIFVGU-UKPHBRMFSA-N 1 0 348.378 2.217 20 5 EEBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000581860363 324329298 /nfs/dbraw/zinc/32/92/98/324329298.db2.gz NYACYHKPZKOGMP-STQMWFEESA-N 1 0 346.330 2.454 20 5 EEBDRO COC(=O)c1ccc(-c2ccc(NCC[NH+](C)C)nc2)c([N+](=O)[O-])c1 ZINC000600784499 449545758 /nfs/dbraw/zinc/54/57/58/449545758.db2.gz LCLUFXISECSOMP-UHFFFAOYSA-N 1 0 344.371 2.417 20 5 EEBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184843241 465028923 /nfs/dbraw/zinc/02/89/23/465028923.db2.gz QQVMWIMNWIYPTB-LSDHHAIUSA-N 1 0 344.371 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)[C@H]2CCCO2)c1 ZINC000339140854 465105919 /nfs/dbraw/zinc/10/59/19/465105919.db2.gz OARQDKBOIXCBBA-QWHCGFSZSA-N 1 0 334.294 2.243 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000358443539 465126274 /nfs/dbraw/zinc/12/62/74/465126274.db2.gz LOBYMBVNPCFPTP-AWEZNQCLSA-N 1 0 334.420 2.434 20 5 EEBDRO CN(CCC[NH+]1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337230436 465256635 /nfs/dbraw/zinc/25/66/35/465256635.db2.gz STRNZSNIFRNFLT-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000358680345 465261206 /nfs/dbraw/zinc/26/12/06/465261206.db2.gz JXAGITNHAGAUCG-GJZGRUSLSA-N 1 0 332.404 2.329 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000045085828 462557795 /nfs/dbraw/zinc/55/77/95/462557795.db2.gz NWHFKIWELVCVCU-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CN1CCO[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000152747686 462576816 /nfs/dbraw/zinc/57/68/16/462576816.db2.gz AVXINONQMQJVCW-CVEARBPZSA-N 1 0 347.415 2.047 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087304188 462599610 /nfs/dbraw/zinc/59/96/10/462599610.db2.gz ICTXAUUISMXPAR-QGZVFWFLSA-N 1 0 349.431 2.097 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590688608 468306540 /nfs/dbraw/zinc/30/65/40/468306540.db2.gz WGEYUBJQIQCWAZ-DLBZAZTESA-N 1 0 342.399 2.178 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000590690093 468307858 /nfs/dbraw/zinc/30/78/58/468307858.db2.gz QBBJGPGXZLPMTG-LLVKDONJSA-N 1 0 341.433 2.141 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075135253 462683138 /nfs/dbraw/zinc/68/31/38/462683138.db2.gz GSWLVZGMVLREQT-KRWDZBQOSA-N 1 0 349.431 2.047 20 5 EEBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000590703700 468312784 /nfs/dbraw/zinc/31/27/84/468312784.db2.gz VUVGDGRXLLYWMW-LBPRGKRZSA-N 1 0 327.388 2.459 20 5 EEBDRO COc1ccccc1C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550915 462797593 /nfs/dbraw/zinc/79/75/93/462797593.db2.gz HFNSNDFGNMLSGG-AWEZNQCLSA-N 1 0 345.399 2.328 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066140300 462855119 /nfs/dbraw/zinc/85/51/19/462855119.db2.gz GRWUDDMWBGZCCK-ZDUSSCGKSA-N 1 0 332.404 2.396 20 5 EEBDRO COc1ccc(NC(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155404888 462887098 /nfs/dbraw/zinc/88/70/98/462887098.db2.gz DOLWYSPOUPBSHC-MLGOLLRUSA-N 1 0 349.387 2.043 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c(C(F)(F)F)c1 ZINC000066854743 462937847 /nfs/dbraw/zinc/93/78/47/462937847.db2.gz ZIPTWIWWHXTUEQ-UHFFFAOYSA-N 1 0 333.310 2.118 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000133721153 462963545 /nfs/dbraw/zinc/96/35/45/462963545.db2.gz LYDHKDVYVHMPGH-CYBMUJFWSA-N 1 0 342.193 2.215 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)n1 ZINC000156019297 462969211 /nfs/dbraw/zinc/96/92/11/462969211.db2.gz UEEZLJJHCGMHTN-MRXNPFEDSA-N 1 0 330.388 2.064 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000049992637 462983512 /nfs/dbraw/zinc/98/35/12/462983512.db2.gz DSOKRZKIQAOMGO-ZDUSSCGKSA-N 1 0 348.359 2.122 20 5 EEBDRO CSC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000120667957 463024712 /nfs/dbraw/zinc/02/47/12/463024712.db2.gz UTJDYHZODKBZDK-CYBMUJFWSA-N 1 0 336.360 2.400 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068468085 463140164 /nfs/dbraw/zinc/14/01/64/463140164.db2.gz APRADSQYVGRMFQ-CQSZACIVSA-N 1 0 344.415 2.396 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000068660735 463162804 /nfs/dbraw/zinc/16/28/04/463162804.db2.gz ICJMXESKHCHPDQ-UHFFFAOYSA-N 1 0 337.424 2.122 20 5 EEBDRO CC(C)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000026885379 463175637 /nfs/dbraw/zinc/17/56/37/463175637.db2.gz NEERTQACMWZKBX-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)nc2)CC1 ZINC000053746037 463187191 /nfs/dbraw/zinc/18/71/91/463187191.db2.gz LQNXKTABVXSREC-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO CCC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121797732 463196825 /nfs/dbraw/zinc/19/68/25/463196825.db2.gz ZJWMMZRXDGLZMT-KRWDZBQOSA-N 1 0 348.447 2.236 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000121984643 463227937 /nfs/dbraw/zinc/22/79/37/463227937.db2.gz ODKBNDBWDZUCLX-MCIONIFRSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000136973672 463268757 /nfs/dbraw/zinc/26/87/57/463268757.db2.gz ZJGFELFVSBTRBU-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000137231518 463284723 /nfs/dbraw/zinc/28/47/23/463284723.db2.gz WXMPDZNDDSWIDZ-RDJZCZTQSA-N 1 0 346.431 2.263 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000124487718 463429960 /nfs/dbraw/zinc/42/99/60/463429960.db2.gz SBUAURFPFLZKMT-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105905134 463495626 /nfs/dbraw/zinc/49/56/26/463495626.db2.gz MTODUMUILGLBKA-HNNXBMFYSA-N 1 0 327.388 2.452 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000042159262 463547457 /nfs/dbraw/zinc/54/74/57/463547457.db2.gz JSERCVUQYYVARH-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072835302 463553213 /nfs/dbraw/zinc/55/32/13/463553213.db2.gz GIAXXSDGWMPVIU-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000112363970 463699992 /nfs/dbraw/zinc/69/99/92/463699992.db2.gz YPAZYXNGUYREFV-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276719106 463730067 /nfs/dbraw/zinc/73/00/67/463730067.db2.gz ZHPPXGJTWQQTHC-UHFFFAOYSA-N 1 0 344.400 2.407 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073784 463786782 /nfs/dbraw/zinc/78/67/82/463786782.db2.gz QYPWDFFRHUAGKW-DOMZBBRYSA-N 1 0 334.376 2.419 20 5 EEBDRO CCOc1cc(C[NH+]2CCC(Cn3ccnn3)CC2)ccc1[N+](=O)[O-] ZINC000276870438 463788427 /nfs/dbraw/zinc/78/84/27/463788427.db2.gz HMAOFJZZPGWXRH-UHFFFAOYSA-N 1 0 345.403 2.497 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261887974 463888702 /nfs/dbraw/zinc/88/87/02/463888702.db2.gz ZJLGYIHRNFJGDX-WBVHZDCISA-N 1 0 325.368 2.409 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000277188243 463903675 /nfs/dbraw/zinc/90/36/75/463903675.db2.gz OKDWOCRDTMJTEF-CYBMUJFWSA-N 1 0 348.403 2.472 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000283710615 463980804 /nfs/dbraw/zinc/98/08/04/463980804.db2.gz WTXKOGLPAVJWNH-UHFFFAOYSA-N 1 0 331.416 2.470 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278760668 463982150 /nfs/dbraw/zinc/98/21/50/463982150.db2.gz NMVZCOFCJONLHQ-AOOOYVTPSA-N 1 0 326.194 2.355 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCCCO ZINC000278867573 464004078 /nfs/dbraw/zinc/00/40/78/464004078.db2.gz LVKHJTWQVFGWPI-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO COc1ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195315648 464037456 /nfs/dbraw/zinc/03/74/56/464037456.db2.gz ZGFXNKNKISSWPP-OKILXGFUSA-N 1 0 337.420 2.144 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625726 464037918 /nfs/dbraw/zinc/03/79/18/464037918.db2.gz COHYHHUINYIHIR-CRAIPNDOSA-N 1 0 333.432 2.436 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262725298 464038962 /nfs/dbraw/zinc/03/89/62/464038962.db2.gz GYNIOFBXBSCAPF-CHWSQXEVSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@]12CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1C2(Cl)Cl ZINC000284374212 464168953 /nfs/dbraw/zinc/16/89/53/464168953.db2.gz FFEYDBJCJPTXDK-YPMHNXCESA-N 1 0 346.214 2.272 20 5 EEBDRO CC[C@@]1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000591032535 468397337 /nfs/dbraw/zinc/39/73/37/468397337.db2.gz QMKYSKDLENUOGG-MRXNPFEDSA-N 1 0 337.376 2.091 20 5 EEBDRO CSC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276715 464181604 /nfs/dbraw/zinc/18/16/04/464181604.db2.gz BLODZKXLVMTDFR-HIFRSBDPSA-N 1 0 340.445 2.410 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000236665812 464217462 /nfs/dbraw/zinc/21/74/62/464217462.db2.gz BDXAZQJVPXKBSG-CYBMUJFWSA-N 1 0 332.404 2.004 20 5 EEBDRO COc1ccc(OCCN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173309245 464236587 /nfs/dbraw/zinc/23/65/87/464236587.db2.gz GLLYVOSZSPNYRD-UHFFFAOYSA-N 1 0 337.420 2.445 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000343005312 465447632 /nfs/dbraw/zinc/44/76/32/465447632.db2.gz BNMBFXYFJPWDER-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292651013 464299406 /nfs/dbraw/zinc/29/94/06/464299406.db2.gz XSJJSNAZDHDPDQ-GOSISDBHSA-N 1 0 331.416 2.427 20 5 EEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000174819182 464454807 /nfs/dbraw/zinc/45/48/07/464454807.db2.gz GPJNOIJWELHARQ-HNNXBMFYSA-N 1 0 346.387 2.343 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272169465 464504116 /nfs/dbraw/zinc/50/41/16/464504116.db2.gz IZUMKTJBZRFWMG-UHFFFAOYSA-N 1 0 325.315 2.065 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353643 464575255 /nfs/dbraw/zinc/57/52/55/464575255.db2.gz DOFATMRYLMKCHA-LBPRGKRZSA-N 1 0 348.346 2.354 20 5 EEBDRO CC[N@H+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272449967 464614020 /nfs/dbraw/zinc/61/40/20/464614020.db2.gz CECXPPCMDYAUOD-UHFFFAOYSA-N 1 0 327.331 2.287 20 5 EEBDRO Cc1n[nH]c(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000272450317 464614673 /nfs/dbraw/zinc/61/46/73/464614673.db2.gz SMDCFBUTDXCVTI-UHFFFAOYSA-N 1 0 344.400 2.477 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272459719 464620301 /nfs/dbraw/zinc/62/03/01/464620301.db2.gz DFKRMCSZZQNXPN-ZDUSSCGKSA-N 1 0 327.331 2.287 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272472793 464624230 /nfs/dbraw/zinc/62/42/30/464624230.db2.gz PRVFWXSKDKDZFC-CQSZACIVSA-N 1 0 340.383 2.181 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408612 464647793 /nfs/dbraw/zinc/64/77/93/464647793.db2.gz XVUGTLPWFCMIJE-IUODEOHRSA-N 1 0 332.356 2.391 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000281979972 464657134 /nfs/dbraw/zinc/65/71/34/464657134.db2.gz OQXORNLSGSGJRR-CQSZACIVSA-N 1 0 346.431 2.396 20 5 EEBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)O ZINC000295086633 464699966 /nfs/dbraw/zinc/69/99/66/464699966.db2.gz DVVGAJPSKMIPQL-SNVBAGLBSA-N 1 0 327.356 2.154 20 5 EEBDRO Cc1cccc2c1CC(C)(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000295191181 464739015 /nfs/dbraw/zinc/73/90/15/464739015.db2.gz JKXVWTPIGCRWFV-INIZCTEOSA-N 1 0 344.415 2.298 20 5 EEBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC([NH3+])C1 ZINC000295221703 464751006 /nfs/dbraw/zinc/75/10/06/464751006.db2.gz MVMFYKCQWVIUNW-UHFFFAOYSA-N 1 0 335.407 2.103 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295309196 464784223 /nfs/dbraw/zinc/78/42/23/464784223.db2.gz OBOLDCBICDBKAW-UHFFFAOYSA-N 1 0 327.356 2.204 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000248884420 464814847 /nfs/dbraw/zinc/81/48/47/464814847.db2.gz UEVVBNDIAKBMBD-JSGCOSHPSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282542046 464859005 /nfs/dbraw/zinc/85/90/05/464859005.db2.gz RNCBNKVEANXACG-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO COC(=O)c1cnc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000276626078 465005891 /nfs/dbraw/zinc/00/58/91/465005891.db2.gz VIXYOUPJEVWRPA-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000351943393 465455444 /nfs/dbraw/zinc/45/54/44/465455444.db2.gz LQBLMKIRKQQTAD-JTQLQIEISA-N 1 0 343.330 2.362 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)o1 ZINC000337716750 465536972 /nfs/dbraw/zinc/53/69/72/465536972.db2.gz LMIIKTZBIMDYSU-CQSZACIVSA-N 1 0 346.387 2.402 20 5 EEBDRO CC[NH+](CC)CCCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000360183248 465540714 /nfs/dbraw/zinc/54/07/14/465540714.db2.gz CKYDBXZEGQIDGP-UHFFFAOYSA-N 1 0 336.440 2.305 20 5 EEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000352816616 465559038 /nfs/dbraw/zinc/55/90/38/465559038.db2.gz PPEZAIQXLVSVSC-ZYHUDNBSSA-N 1 0 337.401 2.234 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2CCN(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356919769 465628559 /nfs/dbraw/zinc/62/85/59/465628559.db2.gz ODAWLLGHZVZJLF-HNNXBMFYSA-N 1 0 341.415 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)nc1 ZINC000299157027 465630036 /nfs/dbraw/zinc/63/00/36/465630036.db2.gz PAWZPIUHOCCTFY-UHFFFAOYSA-N 1 0 348.325 2.081 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519822 465648910 /nfs/dbraw/zinc/64/89/10/465648910.db2.gz GCTFGLMHVGUDJW-JQWIXIFHSA-N 1 0 329.303 2.283 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000330678296 465757318 /nfs/dbraw/zinc/75/73/18/465757318.db2.gz JXGFTWAJLNHHLU-KGLIPLIRSA-N 1 0 335.404 2.223 20 5 EEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000340137912 465802981 /nfs/dbraw/zinc/80/29/81/465802981.db2.gz TUYKHMYXNFXJHY-UHFFFAOYSA-N 1 0 346.391 2.039 20 5 EEBDRO Cn1ccnc1[C@H](NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353453635 465894310 /nfs/dbraw/zinc/89/43/10/465894310.db2.gz FVESBYDMDQNASB-QGZVFWFLSA-N 1 0 343.431 2.493 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000366825154 465956075 /nfs/dbraw/zinc/95/60/75/465956075.db2.gz UHUTVUFBVSLAIC-LSDHHAIUSA-N 1 0 347.415 2.415 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000366884737 465995413 /nfs/dbraw/zinc/99/54/13/465995413.db2.gz OHIBZRWAPJMGBQ-KYJSFNMBSA-N 1 0 344.415 2.420 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000357406980 466010628 /nfs/dbraw/zinc/01/06/28/466010628.db2.gz OZTDRZYDCFIXDE-CQSZACIVSA-N 1 0 337.424 2.122 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000349200162 466018092 /nfs/dbraw/zinc/01/80/92/466018092.db2.gz GVEZXZFGGONAMT-UONOGXRCSA-N 1 0 337.420 2.365 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000340506290 466138281 /nfs/dbraw/zinc/13/82/81/466138281.db2.gz JNAHEVXNNDMYLM-HZSPNIEDSA-N 1 0 334.420 2.411 20 5 EEBDRO CCCC[N@H+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000346812242 466171515 /nfs/dbraw/zinc/17/15/15/466171515.db2.gz ANRBSWGLHATKHF-UHFFFAOYSA-N 1 0 331.214 2.318 20 5 EEBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331912111 466302681 /nfs/dbraw/zinc/30/26/81/466302681.db2.gz IECDFAOUCBJKFO-GFCCVEGCSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ncc[nH]1 ZINC000367612779 466448221 /nfs/dbraw/zinc/44/82/21/466448221.db2.gz ROSKCCMJZPIFAN-ZDUSSCGKSA-N 1 0 330.344 2.451 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808890 466596930 /nfs/dbraw/zinc/59/69/30/466596930.db2.gz VNHYWPXDSMRJGU-PJODQICGSA-N 1 0 333.388 2.387 20 5 EEBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000591681234 468502263 /nfs/dbraw/zinc/50/22/63/468502263.db2.gz ZWSBUWLVGDFDKH-HNNXBMFYSA-N 1 0 343.383 2.271 20 5 EEBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416093266 466721218 /nfs/dbraw/zinc/72/12/18/466721218.db2.gz JZPDTBWSAVXEHM-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365206253 466744616 /nfs/dbraw/zinc/74/46/16/466744616.db2.gz WXGFTBNDWMHSOU-RHSMWYFYSA-N 1 0 349.387 2.089 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365220807 466748500 /nfs/dbraw/zinc/74/85/00/466748500.db2.gz GXVRROMKQOBART-UKRRQHHQSA-N 1 0 344.415 2.019 20 5 EEBDRO CN1CC[NH2+]C[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531256 466768356 /nfs/dbraw/zinc/76/83/56/466768356.db2.gz ZSKSFJFXGYBZIW-OALUTQOASA-N 1 0 340.427 2.177 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000373391099 466788828 /nfs/dbraw/zinc/78/88/28/466788828.db2.gz HOUKQRJRVHSRKS-OAHLLOKOSA-N 1 0 327.388 2.709 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000417171216 466794960 /nfs/dbraw/zinc/79/49/60/466794960.db2.gz DMHUUMDMAISHAW-BXUZGUMPSA-N 1 0 336.392 2.015 20 5 EEBDRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423722625 466813950 /nfs/dbraw/zinc/81/39/50/466813950.db2.gz KGWPYOWZBBRXOD-ZDUSSCGKSA-N 1 0 335.429 2.181 20 5 EEBDRO Cn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365521154 466845462 /nfs/dbraw/zinc/84/54/62/466845462.db2.gz IDWPFPZYQOCPEG-AWEZNQCLSA-N 1 0 328.372 2.277 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417719807 466916055 /nfs/dbraw/zinc/91/60/55/466916055.db2.gz QPEXUPVJPVDEJW-KBPBESRZSA-N 1 0 349.435 2.097 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423959221 466928676 /nfs/dbraw/zinc/92/86/76/466928676.db2.gz BQRRZPFULGQBHK-DLBZAZTESA-N 1 0 325.368 2.389 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C[NH3+] ZINC000423994089 466942155 /nfs/dbraw/zinc/94/21/55/466942155.db2.gz HZAZWVQIUZTNBR-VXGBXAGGSA-N 1 0 328.372 2.200 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1ccccc1F ZINC000424043531 466961940 /nfs/dbraw/zinc/96/19/40/466961940.db2.gz YUDMCFOUYZVJOW-CMPLNLGQSA-N 1 0 335.360 2.362 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC000424042862 466962035 /nfs/dbraw/zinc/96/20/35/466962035.db2.gz LVOCBJAPQOEOEQ-QWHCGFSZSA-N 1 0 332.335 2.019 20 5 EEBDRO C[NH+]1CCC2(CCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374177190 467025603 /nfs/dbraw/zinc/02/56/03/467025603.db2.gz VFZVEQFRLGPCNX-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000418349153 467096567 /nfs/dbraw/zinc/09/65/67/467096567.db2.gz RUBDHUPTVPDYRP-OCCSQVGLSA-N 1 0 332.404 2.051 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000427877665 467183819 /nfs/dbraw/zinc/18/38/19/467183819.db2.gz TZSQHUCEBPJAGJ-OCCSQVGLSA-N 1 0 343.387 2.113 20 5 EEBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976549 467292905 /nfs/dbraw/zinc/29/29/05/467292905.db2.gz YORXCMMQYZHUNR-NVXWUHKLSA-N 1 0 348.378 2.437 20 5 EEBDRO C[N@H+](CCCNC(=O)C1CCC1)CCOc1ccccc1[N+](=O)[O-] ZINC000429549416 467345393 /nfs/dbraw/zinc/34/53/93/467345393.db2.gz TVHQWTIRLHUSQY-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339948 467367056 /nfs/dbraw/zinc/36/70/56/467367056.db2.gz MFOGANAXJQFBEO-DYVFJYSZSA-N 1 0 346.431 2.386 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000420384222 467388390 /nfs/dbraw/zinc/38/83/90/467388390.db2.gz GEWHNGMFDCSPJL-CXAGYDPISA-N 1 0 337.395 2.452 20 5 EEBDRO C[NH+](C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1cccs1 ZINC000420586938 467429748 /nfs/dbraw/zinc/42/97/48/467429748.db2.gz PAGYZZFNHQOJRB-LBPRGKRZSA-N 1 0 334.401 2.470 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000452969400 467448683 /nfs/dbraw/zinc/44/86/83/467448683.db2.gz DKTXFVGOMQEHHV-RNCFNFMXSA-N 1 0 343.305 2.390 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000430785030 467466648 /nfs/dbraw/zinc/46/66/48/467466648.db2.gz SNFOSYDQZICHIU-UONOGXRCSA-N 1 0 335.404 2.223 20 5 EEBDRO CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000453289758 467477508 /nfs/dbraw/zinc/47/75/08/467477508.db2.gz MOIDYBFWYYYXGH-NEPJUHHUSA-N 1 0 333.396 2.306 20 5 EEBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000430934333 467478007 /nfs/dbraw/zinc/47/80/07/467478007.db2.gz LRRAYKMWXZFNQZ-DOMZBBRYSA-N 1 0 330.388 2.461 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405348362 467481067 /nfs/dbraw/zinc/48/10/67/467481067.db2.gz MIPRATWLZANYRL-AAEUAGOBSA-N 1 0 341.433 2.041 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000415291988 467536792 /nfs/dbraw/zinc/53/67/92/467536792.db2.gz GXBLNRKPYHTGLB-MRXNPFEDSA-N 1 0 336.392 2.102 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415293151 467536879 /nfs/dbraw/zinc/53/68/79/467536879.db2.gz IIFPMYSYCUWFNL-NWDGAFQWSA-N 1 0 336.392 2.446 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000449530018 467659143 /nfs/dbraw/zinc/65/91/43/467659143.db2.gz BNSIRENDRRUNNB-ODEWBEPCSA-N 1 0 333.432 2.385 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449594442 467667205 /nfs/dbraw/zinc/66/72/05/467667205.db2.gz YFRDAMMWSMQYPH-HEHGZKQESA-N 1 0 335.404 2.453 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000455363883 467670726 /nfs/dbraw/zinc/67/07/26/467670726.db2.gz UNFLTZWWGDYMDE-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449642909 467674483 /nfs/dbraw/zinc/67/44/83/467674483.db2.gz YBROBFWNCNHBPI-UKRRQHHQSA-N 1 0 346.431 2.442 20 5 EEBDRO Cc1nn(CCC(=O)Nc2ccc3c(c2)C[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000449666613 467683303 /nfs/dbraw/zinc/68/33/03/467683303.db2.gz DTVMOIISTXJQRL-UHFFFAOYSA-N 1 0 329.360 2.040 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449680332 467687254 /nfs/dbraw/zinc/68/72/54/467687254.db2.gz JYEIFLBUSNWRFI-CYBMUJFWSA-N 1 0 343.387 2.043 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449683207 467687723 /nfs/dbraw/zinc/68/77/23/467687723.db2.gz YGVNAAHBCAVCBE-JTQLQIEISA-N 1 0 341.795 2.355 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000449719382 467698752 /nfs/dbraw/zinc/69/87/52/467698752.db2.gz HHOJIRGGZFQVJY-SECBINFHSA-N 1 0 325.674 2.258 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450547609 467868771 /nfs/dbraw/zinc/86/87/71/467868771.db2.gz ODPRQZBTASNWLJ-GFCCVEGCSA-N 1 0 348.403 2.087 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCC(F)F ZINC000471762239 467974629 /nfs/dbraw/zinc/97/46/29/467974629.db2.gz SPCFIACCFIKESB-SNVBAGLBSA-N 1 0 331.319 2.183 20 5 EEBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000493765223 467978940 /nfs/dbraw/zinc/97/89/40/467978940.db2.gz YFICKSGZSCPBDW-YIEVGGLXSA-N 1 0 329.400 2.456 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494251985 468039958 /nfs/dbraw/zinc/03/99/58/468039958.db2.gz UUPBNVCMRUQNOI-ZBEGNZNMSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283034 468042007 /nfs/dbraw/zinc/04/20/07/468042007.db2.gz SEIYFAGHUSSHSO-OTYXRUKQSA-N 1 0 327.768 2.344 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000516968366 468061420 /nfs/dbraw/zinc/06/14/20/468061420.db2.gz BSPTYMVKCOOKEI-UWVGGRQHSA-N 1 0 328.800 2.216 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488036518 468068468 /nfs/dbraw/zinc/06/84/68/468068468.db2.gz RPBNPIIPGMOKHK-SWLSCSKDSA-N 1 0 335.404 2.331 20 5 EEBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000531775596 468074313 /nfs/dbraw/zinc/07/43/13/468074313.db2.gz ICRPPYATHJSNTG-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO O=C(CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000517732883 468094714 /nfs/dbraw/zinc/09/47/14/468094714.db2.gz RDQHWOAOPBLSJI-UKRRQHHQSA-N 1 0 332.404 2.140 20 5 EEBDRO NC(=O)Cc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000589320696 468143619 /nfs/dbraw/zinc/14/36/19/468143619.db2.gz DYIWLHAACVOSKN-HYXAFXHYSA-N 1 0 325.368 2.426 20 5 EEBDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000590032890 468206266 /nfs/dbraw/zinc/20/62/66/468206266.db2.gz HNVXNPYJHRFIOI-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594215683 468515353 /nfs/dbraw/zinc/51/53/53/468515353.db2.gz STXBCCJLUGEHTL-GOEBONIOSA-N 1 0 332.404 2.411 20 5 EEBDRO CC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000569802829 468545270 /nfs/dbraw/zinc/54/52/70/468545270.db2.gz KJTZPZLMSMASDU-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO CN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000582601064 468565315 /nfs/dbraw/zinc/56/53/15/468565315.db2.gz HNAMYYGOVKJDAK-UHFFFAOYSA-N 1 0 348.325 2.007 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000594501095 468610176 /nfs/dbraw/zinc/61/01/76/468610176.db2.gz HQLJSGGHCOMVOX-SFHVURJKSA-N 1 0 333.432 2.370 20 5 EEBDRO CCc1ccc([C@H](NC[C@@H]2COCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600711873 468628904 /nfs/dbraw/zinc/62/89/04/468628904.db2.gz TUZLSZCITYOCTC-RDTXWAMCSA-N 1 0 345.399 2.418 20 5 EEBDRO COC(=O)c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599330 468631832 /nfs/dbraw/zinc/63/18/32/468631832.db2.gz JELZCMQHSRAJCT-QWHCGFSZSA-N 1 0 334.376 2.205 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCCN3)s2)cc1 ZINC000600776062 468654296 /nfs/dbraw/zinc/65/42/96/468654296.db2.gz OIBUVOUKJBHDKA-ZDUSSCGKSA-N 1 0 333.413 2.401 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254492 468665309 /nfs/dbraw/zinc/66/53/09/468665309.db2.gz FFIXTWOMPXZPNF-CABCVRRESA-N 1 0 347.415 2.212 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000558471903 468681656 /nfs/dbraw/zinc/68/16/56/468681656.db2.gz BORZATCTJUATJI-FZMZJTMJSA-N 1 0 325.434 2.422 20 5 EEBDRO CC(C)([NH3+])CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592539175 468726408 /nfs/dbraw/zinc/72/64/08/468726408.db2.gz YTAOUBWAPBKOQI-UHFFFAOYSA-N 1 0 335.404 2.482 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569075 468731689 /nfs/dbraw/zinc/73/16/89/468731689.db2.gz YNGMZPFUNYBBDA-LBPRGKRZSA-N 1 0 333.388 2.398 20 5 EEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595118202 468762741 /nfs/dbraw/zinc/76/27/41/468762741.db2.gz LDECWOATUXVXIA-CHWSQXEVSA-N 1 0 341.433 2.123 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000601188214 468775404 /nfs/dbraw/zinc/77/54/04/468775404.db2.gz DPOFIUHCIBCZNU-GFCCVEGCSA-N 1 0 336.392 2.005 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595221862 468788027 /nfs/dbraw/zinc/78/80/27/468788027.db2.gz HJJRJYHSOVNUEU-OAHLLOKOSA-N 1 0 346.431 2.488 20 5 EEBDRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595417013 468845176 /nfs/dbraw/zinc/84/51/76/468845176.db2.gz WYQTULAHUMQGMS-LBPRGKRZSA-N 1 0 349.412 2.354 20 5 EEBDRO COc1ccc(CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000560768314 468845549 /nfs/dbraw/zinc/84/55/49/468845549.db2.gz KCXXLPZLAVPYQV-ZFWWWQNUSA-N 1 0 347.415 2.231 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153531 468888206 /nfs/dbraw/zinc/88/82/06/468888206.db2.gz ONQYQGVJHLFODI-WFASDCNBSA-N 1 0 335.379 2.362 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000595536701 468891814 /nfs/dbraw/zinc/89/18/14/468891814.db2.gz SYDSLAYZOCWDRK-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598642006 468942398 /nfs/dbraw/zinc/94/23/98/468942398.db2.gz QIQXZBROFPXSPY-ZDUSSCGKSA-N 1 0 348.403 2.310 20 5 EEBDRO COC(=O)c1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000598665385 468950974 /nfs/dbraw/zinc/95/09/74/468950974.db2.gz UQFGKICCNRFSNY-LLVKDONJSA-N 1 0 335.360 2.100 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000610505866 468989615 /nfs/dbraw/zinc/98/96/15/468989615.db2.gz ZNXMJTLKOYXONA-CVEARBPZSA-N 1 0 330.388 2.235 20 5 EEBDRO CO[C@](C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602675383 469004028 /nfs/dbraw/zinc/00/40/28/469004028.db2.gz HYVOBIYTWJURHJ-QGZVFWFLSA-N 1 0 334.420 2.363 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000610575793 469006475 /nfs/dbraw/zinc/00/64/75/469006475.db2.gz WIEXYZAFPXKWET-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595783358 469008541 /nfs/dbraw/zinc/00/85/41/469008541.db2.gz MXOBDSMJHZPZCH-INIZCTEOSA-N 1 0 335.404 2.038 20 5 EEBDRO C[N@H+](CCOC(C)(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610859873 469093798 /nfs/dbraw/zinc/09/37/98/469093798.db2.gz RYMUGQBKTMWNPT-AWEZNQCLSA-N 1 0 326.393 2.081 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000595947679 469095792 /nfs/dbraw/zinc/09/57/92/469095792.db2.gz UXDFASNZRYKKBI-UHFFFAOYSA-N 1 0 349.309 2.345 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCC1 ZINC000595967957 469101347 /nfs/dbraw/zinc/10/13/47/469101347.db2.gz ZKFQYJRODHVJIA-SNVBAGLBSA-N 1 0 341.795 2.403 20 5 EEBDRO C[C@]1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]C1 ZINC000595992076 469109021 /nfs/dbraw/zinc/10/90/21/469109021.db2.gz NTCMWTQFZNMSFC-HNNXBMFYSA-N 1 0 332.385 2.200 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000602843059 469110900 /nfs/dbraw/zinc/11/09/00/469110900.db2.gz YOVBOHKCIXGBAL-CYBMUJFWSA-N 1 0 347.394 2.450 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601977787 469125192 /nfs/dbraw/zinc/12/51/92/469125192.db2.gz TZRPYKOYAOPCPV-CYBMUJFWSA-N 1 0 335.404 2.258 20 5 EEBDRO Cc1nc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000562996061 469128654 /nfs/dbraw/zinc/12/86/54/469128654.db2.gz OFQZMWYCQPANLG-GFCCVEGCSA-N 1 0 337.401 2.198 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596087245 469149570 /nfs/dbraw/zinc/14/95/70/469149570.db2.gz JHDYCIIVOLMHKH-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO NC(=O)c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596133600 469170361 /nfs/dbraw/zinc/17/03/61/469170361.db2.gz INMUUZFWQZZDQG-CYBMUJFWSA-N 1 0 332.404 2.148 20 5 EEBDRO O=C(CC[NH+]1CCC2(CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611177881 469183337 /nfs/dbraw/zinc/18/33/37/469183337.db2.gz NZPNJUBYNZNXHE-UHFFFAOYSA-N 1 0 333.388 2.426 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589199534 469211532 /nfs/dbraw/zinc/21/15/32/469211532.db2.gz GZJALYWFHNDIFK-LBPRGKRZSA-N 1 0 344.371 2.089 20 5 EEBDRO CCOc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596264861 469225662 /nfs/dbraw/zinc/22/56/62/469225662.db2.gz LETOSHIIBPCJMQ-UHFFFAOYSA-N 1 0 349.431 2.324 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCC(C)CC2)n1 ZINC000596487956 469281975 /nfs/dbraw/zinc/28/19/75/469281975.db2.gz MGTUVUIOLGVCGH-GFCCVEGCSA-N 1 0 336.392 2.309 20 5 EEBDRO NC(=O)c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571179 469303939 /nfs/dbraw/zinc/30/39/39/469303939.db2.gz PLGDRCVALNSTFN-CYBMUJFWSA-N 1 0 332.404 2.228 20 5 EEBDRO COCCC[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611711599 469307401 /nfs/dbraw/zinc/30/74/01/469307401.db2.gz XKJRTFSTPSITGA-UHFFFAOYSA-N 1 0 345.403 2.451 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602425354 469311177 /nfs/dbraw/zinc/31/11/77/469311177.db2.gz QVNMBFLQZCCGKG-UHFFFAOYSA-N 1 0 342.193 2.087 20 5 EEBDRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000596636393 469318047 /nfs/dbraw/zinc/31/80/47/469318047.db2.gz VCMSWLVKUWDGHO-AWEZNQCLSA-N 1 0 348.403 2.278 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648316 469321308 /nfs/dbraw/zinc/32/13/08/469321308.db2.gz OZYYBSBZHZBVCO-HNNXBMFYSA-N 1 0 329.404 2.279 20 5 EEBDRO Cn1ccnc1[C@H](C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602474713 469331993 /nfs/dbraw/zinc/33/19/93/469331993.db2.gz RKUKETNFEAUIIF-BBRMVZONSA-N 1 0 342.403 2.361 20 5 EEBDRO COC(=O)[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])Cc2ccccc21 ZINC000599680394 469335419 /nfs/dbraw/zinc/33/54/19/469335419.db2.gz LRDOQCVCQXLDNU-ZDUSSCGKSA-N 1 0 331.328 2.164 20 5 EEBDRO CC1(C)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602495913 469340030 /nfs/dbraw/zinc/34/00/30/469340030.db2.gz HWCMINLHCGRWIN-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000602553513 469359088 /nfs/dbraw/zinc/35/90/88/469359088.db2.gz KRRVPYOWTBCBKH-JSGCOSHPSA-N 1 0 332.404 2.065 20 5 EEBDRO C[NH+](C)[C@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC000602563959 469362178 /nfs/dbraw/zinc/36/21/78/469362178.db2.gz JMRHENBXVCTBHO-HNNXBMFYSA-N 1 0 336.417 2.263 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000602578551 469369990 /nfs/dbraw/zinc/36/99/90/469369990.db2.gz YOYHVDPSVVQFFA-IINYFYTJSA-N 1 0 347.337 2.422 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCOC1 ZINC000602610387 469384105 /nfs/dbraw/zinc/38/41/05/469384105.db2.gz ZZJCSRXHPLKLKA-KBPBESRZSA-N 1 0 334.420 2.363 20 5 EEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619786402 469682281 /nfs/dbraw/zinc/68/22/81/469682281.db2.gz OMZFTQKKBDXPOQ-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000619844747 469689637 /nfs/dbraw/zinc/68/96/37/469689637.db2.gz IPPQGGUSNLQHAK-LBPRGKRZSA-N 1 0 343.449 2.145 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000609268805 469911589 /nfs/dbraw/zinc/91/15/89/469911589.db2.gz CIHNLJFQCOXPKC-CYBMUJFWSA-N 1 0 347.371 2.182 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000602539456 485642388 /nfs/dbraw/zinc/64/23/88/485642388.db2.gz GLENNOBDORVYPS-PWSUYJOCSA-N 1 0 331.294 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CO)CCCCC3)CC2)cn1 ZINC000602571246 485644143 /nfs/dbraw/zinc/64/41/43/485644143.db2.gz GMCIWCRTTUIZDF-UHFFFAOYSA-N 1 0 348.447 2.491 20 5 EEBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC[C@H]1O ZINC000602571279 485644288 /nfs/dbraw/zinc/64/42/88/485644288.db2.gz HITXUBSEBYAJBH-AEFFLSMTSA-N 1 0 348.447 2.489 20 5 EEBDRO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)[C@H]1C ZINC000419394546 485685486 /nfs/dbraw/zinc/68/54/86/485685486.db2.gz PLIQNKFBMQSQCT-VWYCJHECSA-N 1 0 335.360 2.238 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177995162 527830984 /nfs/dbraw/zinc/83/09/84/527830984.db2.gz QDDGJEFHYJPQPE-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO CC1([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183865511 528058097 /nfs/dbraw/zinc/05/80/97/528058097.db2.gz YPNIIWZXZIFFGI-HOCLYGCPSA-N 1 0 336.388 2.103 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000132370437 529023891 /nfs/dbraw/zinc/02/38/91/529023891.db2.gz ADNRYTZBYJEIGT-UHFFFAOYSA-N 1 0 330.388 2.173 20 5 EEBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153601402 529148690 /nfs/dbraw/zinc/14/86/90/529148690.db2.gz LJJVDYGVCPONSR-GFCCVEGCSA-N 1 0 341.843 2.329 20 5 EEBDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1COC1 ZINC000451118572 535056116 /nfs/dbraw/zinc/05/61/16/535056116.db2.gz BCIZYNNRXPVRIQ-UHFFFAOYSA-N 1 0 335.360 2.002 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000451469737 535069877 /nfs/dbraw/zinc/06/98/77/535069877.db2.gz MLLYSRYTVLDXSU-BMFZPTHFSA-N 1 0 333.388 2.327 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451776060 535547957 /nfs/dbraw/zinc/54/79/57/535547957.db2.gz SUHQZAGBALFULF-DFBGVHRSSA-N 1 0 349.387 2.243 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451740044 536140898 /nfs/dbraw/zinc/14/08/98/536140898.db2.gz KXGXJRHJDLTCFE-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(C)C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000733975086 577266832 /nfs/dbraw/zinc/26/68/32/577266832.db2.gz HRNBYQDYGXZHBB-OAHLLOKOSA-N 1 0 347.419 2.037 20 5 EEBDRO COC(=O)c1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000776273988 577456240 /nfs/dbraw/zinc/45/62/40/577456240.db2.gz FYWIMGXIQWJTJU-INIZCTEOSA-N 1 0 348.355 2.448 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccco1 ZINC000766180829 577514313 /nfs/dbraw/zinc/51/43/13/577514313.db2.gz ANNOGTBBANUVEY-PXAZEXFGSA-N 1 0 347.371 2.402 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770010285 577588969 /nfs/dbraw/zinc/58/89/69/577588969.db2.gz RGDPWHXCPNGBFY-UHFFFAOYSA-N 1 0 344.799 2.290 20 5 EEBDRO Cc1nn(C[N@H+]2CC[C@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294580 577681255 /nfs/dbraw/zinc/68/12/55/577681255.db2.gz XVQRNEQEZXBDJH-ZDUSSCGKSA-N 1 0 340.387 2.433 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000748432860 577961658 /nfs/dbraw/zinc/96/16/58/577961658.db2.gz CQCKEJHPBHBBJF-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO COc1ccc(OCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749663412 577979534 /nfs/dbraw/zinc/97/95/34/577979534.db2.gz FBNDPBJUEKYSCS-KRWDZBQOSA-N 1 0 332.356 2.305 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000741723722 578123135 /nfs/dbraw/zinc/12/31/35/578123135.db2.gz ZAMIVCCFCIPNAM-UONOGXRCSA-N 1 0 346.431 2.408 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC001020506933 674964582 /nfs/dbraw/zinc/96/45/82/674964582.db2.gz GCBGDKJXVUMEBQ-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)ccn1C ZINC001020560922 675129685 /nfs/dbraw/zinc/12/96/85/675129685.db2.gz NZKXTEAOSFSQSO-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804813540 675641735 /nfs/dbraw/zinc/64/17/35/675641735.db2.gz RKCHZEGGUQYZGD-TZMCWYRMSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1noc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021821788 676501332 /nfs/dbraw/zinc/50/13/32/676501332.db2.gz RFSAKNLQEPCTDG-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC001021840270 676518023 /nfs/dbraw/zinc/51/80/23/676518023.db2.gz IRVOLSBFXPBPRJ-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO CCn1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000891462897 676666470 /nfs/dbraw/zinc/66/64/70/676666470.db2.gz VUGYVLBPVQAQCM-UHFFFAOYSA-N 1 0 329.404 2.442 20 5 EEBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000892187015 678228297 /nfs/dbraw/zinc/22/82/97/678228297.db2.gz HBRMQUCFLONPCZ-SOUVJXGZSA-N 1 0 332.404 2.091 20 5 EEBDRO CCC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000126736276 683352367 /nfs/dbraw/zinc/35/23/67/683352367.db2.gz IVMBRNLBINEBAH-HNNXBMFYSA-N 1 0 346.431 2.164 20 5 EEBDRO Cn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019993019 683520061 /nfs/dbraw/zinc/52/00/61/683520061.db2.gz YCURAUCAORFPSY-HAQNSBGRSA-N 1 0 334.401 2.045 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H](C)[NH2+]1 ZINC000153463380 684046707 /nfs/dbraw/zinc/04/67/07/684046707.db2.gz OEZJZHKLBNJKET-STQMWFEESA-N 1 0 332.404 2.017 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000893247885 684261274 /nfs/dbraw/zinc/26/12/74/684261274.db2.gz IOJDECLTPSPFHY-JSGCOSHPSA-N 1 0 338.433 2.014 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896209879 684903678 /nfs/dbraw/zinc/90/36/78/684903678.db2.gz FIBBHRJENPBFPP-AWEZNQCLSA-N 1 0 335.404 2.052 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)COc1cc([N+](=O)[O-])ccc1Br ZINC000312775438 684999198 /nfs/dbraw/zinc/99/91/98/684999198.db2.gz OUSKFJGLZOUDPK-LLVKDONJSA-N 1 0 347.209 2.437 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000125192368 686924459 /nfs/dbraw/zinc/92/44/59/686924459.db2.gz ATHDGMPBJCVPHG-VHSXEESVSA-N 1 0 347.824 2.105 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001105459602 1187407762 /nfs/dbraw/zinc/40/77/62/1187407762.db2.gz AMGZGAUURSAODF-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO C[N@H+](Cc1cn(C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000905822228 1189934423 /nfs/dbraw/zinc/93/44/23/1189934423.db2.gz XSEFHAPONZCLJY-HNNXBMFYSA-N 1 0 333.392 2.150 20 5 EEBDRO CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034643768 1196464877 /nfs/dbraw/zinc/46/48/77/1196464877.db2.gz SBFJBQKWRMQBMC-BRSBDYLESA-N 1 0 345.443 2.431 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000872036685 1198032147 /nfs/dbraw/zinc/03/21/47/1198032147.db2.gz VFQSJPQCHZKGKE-GXTWGEPZSA-N 1 0 338.477 2.213 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866009052 1198452850 /nfs/dbraw/zinc/45/28/50/1198452850.db2.gz BKZVUWTUBBTPCL-CYBMUJFWSA-N 1 0 335.379 2.221 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000814482766 1199532353 /nfs/dbraw/zinc/53/23/53/1199532353.db2.gz KJXPKWBINJESFA-UHFFFAOYSA-N 1 0 339.367 2.443 20 5 EEBDRO C[NH+](C)CC[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000825997417 1200067700 /nfs/dbraw/zinc/06/77/00/1200067700.db2.gz BYKATCOBRSNRBY-CABCVRRESA-N 1 0 337.420 2.111 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c1C1CC1 ZINC001132968655 1200237938 /nfs/dbraw/zinc/23/79/38/1200237938.db2.gz LKPUVAUXMQGSHB-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO Cc1cccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001133182601 1200558933 /nfs/dbraw/zinc/55/89/33/1200558933.db2.gz HUZCRBXHJATPRN-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCOCC1 ZINC000866340856 1201496261 /nfs/dbraw/zinc/49/62/61/1201496261.db2.gz UEHXYJVCHDRIGN-BLLLJJGKSA-N 1 0 340.395 2.432 20 5 EEBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000868283591 1201782863 /nfs/dbraw/zinc/78/28/63/1201782863.db2.gz BGWQAJCDWPGWCR-PBWFPOADSA-N 1 0 335.379 2.360 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[N@H+](C)C1CC1 ZINC000881911992 1201787520 /nfs/dbraw/zinc/78/75/20/1201787520.db2.gz NDFOZQRSJYKUNV-LLVKDONJSA-N 1 0 332.404 2.382 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000868607108 1201844740 /nfs/dbraw/zinc/84/47/40/1201844740.db2.gz MOOBCBVVJXUWAW-GFCCVEGCSA-N 1 0 335.379 2.219 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000886255982 1202484838 /nfs/dbraw/zinc/48/48/38/1202484838.db2.gz RQOVNFABUIADHD-UVGIYENGSA-N 1 0 334.397 2.297 20 5 EEBDRO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000886593724 1202529603 /nfs/dbraw/zinc/52/96/03/1202529603.db2.gz XVJPKAWTMTWSDD-HNNXBMFYSA-N 1 0 349.431 2.335 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924476424 1205982017 /nfs/dbraw/zinc/98/20/17/1205982017.db2.gz SYQVMOCAKJXXEG-IUODEOHRSA-N 1 0 346.387 2.062 20 5 EEBDRO CC(=O)NCCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929247608 1206459272 /nfs/dbraw/zinc/45/92/72/1206459272.db2.gz UGTKKCWDELJGJP-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929618547 1206490197 /nfs/dbraw/zinc/49/01/97/1206490197.db2.gz PWGVUYWNFLYFCE-SJORKVTESA-N 1 0 329.400 2.441 20 5 EEBDRO C[C@]12CC[N@H+](CC[N+](=O)[O-])C[C@H]1C2(Br)Br ZINC000930925911 1206593444 /nfs/dbraw/zinc/59/34/44/1206593444.db2.gz OHVJBZXZZJZNID-SFYZADRCSA-N 1 0 342.031 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(F)c1 ZINC000778105862 1207642673 /nfs/dbraw/zinc/64/26/73/1207642673.db2.gz JNYNGMOPGUBPTD-PBHICJAKSA-N 1 0 334.347 2.308 20 5 EEBDRO C[C@H](Cc1cccnc1)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934233336 1207928007 /nfs/dbraw/zinc/92/80/07/1207928007.db2.gz JUGVYBJZRGWSQQ-DYVFJYSZSA-N 1 0 340.383 2.316 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934385429 1207952493 /nfs/dbraw/zinc/95/24/93/1207952493.db2.gz LGLGSLNYUXMCBW-BRWVUGGUSA-N 1 0 349.431 2.171 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000778248663 1207965216 /nfs/dbraw/zinc/96/52/16/1207965216.db2.gz WWFVEPWZHDFWME-JTQLQIEISA-N 1 0 349.416 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000934682774 1208008743 /nfs/dbraw/zinc/00/87/43/1208008743.db2.gz MBXXYEUBENYIAD-SJLPKXTDSA-N 1 0 343.383 2.470 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](CC4CC4)CC3)cc2N1 ZINC000194099595 1211090518 /nfs/dbraw/zinc/09/05/18/1211090518.db2.gz PDZDYBZXQHAMPL-UHFFFAOYSA-N 1 0 330.388 2.012 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccs1 ZINC000195129674 1211321699 /nfs/dbraw/zinc/32/16/99/1211321699.db2.gz SPYUFJJZGOMBJE-ZDUSSCGKSA-N 1 0 334.401 2.271 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1C ZINC001019983614 1229428914 /nfs/dbraw/zinc/42/89/14/1229428914.db2.gz BIIPHYDOWNXKDZ-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020095855 1229482677 /nfs/dbraw/zinc/48/26/77/1229482677.db2.gz BGEOUUOLAIUTMT-SHTZXODSSA-N 1 0 329.356 2.167 20 5 EEBDRO CC1(C)CC(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)C1 ZINC001040699293 1231340258 /nfs/dbraw/zinc/34/02/58/1231340258.db2.gz BHFJFHDIQKSEPY-HZPDHXFCSA-N 1 0 349.475 2.402 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=S)NC1CC[NH+](C)CC1 ZINC000800828214 1234632326 /nfs/dbraw/zinc/63/23/26/1234632326.db2.gz LKIXZSIKIYJNOX-UHFFFAOYSA-N 1 0 336.461 2.038 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N(C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096110589 1234954957 /nfs/dbraw/zinc/95/49/57/1234954957.db2.gz HGECANLCUKFJLC-UHFFFAOYSA-N 1 0 348.447 2.362 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096110841 1234980044 /nfs/dbraw/zinc/98/00/44/1234980044.db2.gz PBNAVACTFUNIDO-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C/C=C(\C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048754817 1238527823 /nfs/dbraw/zinc/52/78/23/1238527823.db2.gz VVUZMVSAHPTGGZ-NVAVRXRDSA-N 1 0 329.400 2.451 20 5 EEBDRO O=C(NCC1CC[NH+](CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400361 1242198157 /nfs/dbraw/zinc/19/81/57/1242198157.db2.gz QTDQYQNDPDPRCW-IAGOWNOFSA-N 1 0 349.475 2.450 20 5 EEBDRO O=C(C[NH+]1CCCC1)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001057334758 1243338440 /nfs/dbraw/zinc/33/84/40/1243338440.db2.gz BQOAQIWLDJMRBX-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097211703 1243833373 /nfs/dbraw/zinc/83/33/73/1243833373.db2.gz CFSVKOLFBVQEMY-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(CCNC(=O)CCC[NH+](C)C)C2CC2)c1 ZINC001101442002 1245831091 /nfs/dbraw/zinc/83/10/91/1245831091.db2.gz SBOPYEKLDJWRNF-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(C(=O)C[NH+]1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001058056159 1248374636 /nfs/dbraw/zinc/37/46/36/1248374636.db2.gz GQJRLHVIIXFMFM-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO CCc1nc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001135233743 1278255361 /nfs/dbraw/zinc/25/53/61/1278255361.db2.gz GPCQOBRSULZVPO-UHFFFAOYSA-N 1 0 348.428 2.442 20 5 EEBDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558865 1277266912 /nfs/dbraw/zinc/26/69/12/1277266912.db2.gz UXOYHZIJMIIFIS-SWLSCSKDSA-N 1 0 334.420 2.081 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001152317827 1284484111 /nfs/dbraw/zinc/48/41/11/1284484111.db2.gz ICKNWUOPUFNDTP-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000104413471 1285124017 /nfs/dbraw/zinc/12/40/17/1285124017.db2.gz HLZWRTKLVDVTLX-LBPRGKRZSA-N 1 0 339.367 2.055 20 5 EEBDRO CSCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199246397 1285561570 /nfs/dbraw/zinc/56/15/70/1285561570.db2.gz FLUHCQIETKQCKI-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851950879 1291928938 /nfs/dbraw/zinc/92/89/38/1291928938.db2.gz ABBAHYUJWUVCJZ-JQWIXIFHSA-N 1 0 340.380 2.238 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853496496 1292399602 /nfs/dbraw/zinc/39/96/02/1292399602.db2.gz GUOJKPRGERHZER-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@H]21 ZINC000931277281 1297128620 /nfs/dbraw/zinc/12/86/20/1297128620.db2.gz OHJHHMDFBMDREF-IMRBUKKESA-N 1 0 340.221 2.349 20 5 EEBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001218024436 1297550974 /nfs/dbraw/zinc/55/09/74/1297550974.db2.gz OBNVXOOIONRKHY-IONNQARKSA-N 1 0 335.282 2.481 20 5 EEBDRO CSCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001225988010 1301224048 /nfs/dbraw/zinc/22/40/48/1301224048.db2.gz UITZMEPSTZPIFL-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO COc1cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001226581282 1301470086 /nfs/dbraw/zinc/47/00/86/1301470086.db2.gz MVESNRMPINJRKB-JOCQHMNTSA-N 1 0 337.376 2.021 20 5 EEBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)cc1Br ZINC001227824112 1301979041 /nfs/dbraw/zinc/97/90/41/1301979041.db2.gz DCCLIRXSLOJFOS-SNVBAGLBSA-N 1 0 349.220 2.259 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363741 1302747734 /nfs/dbraw/zinc/74/77/34/1302747734.db2.gz FRSSFGDFJAYFLZ-LBPRGKRZSA-N 1 0 332.360 2.495 20 5 EEBDRO COCCC[NH+]1CCC(Oc2cc3n[nH]cc3cc2[N+](=O)[O-])CC1 ZINC001230600082 1303308662 /nfs/dbraw/zinc/30/86/62/1303308662.db2.gz AWTFWLSNUQKCMS-UHFFFAOYSA-N 1 0 334.376 2.351 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000783624067 1304313029 /nfs/dbraw/zinc/31/30/29/1304313029.db2.gz WFUYPIOPVAAHBC-QWHCGFSZSA-N 1 0 325.796 2.201 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000784221932 1304444389 /nfs/dbraw/zinc/44/43/89/1304444389.db2.gz ILVWDUUJRREPND-GHMZBOCLSA-N 1 0 334.294 2.219 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233811688 1304601910 /nfs/dbraw/zinc/60/19/10/1304601910.db2.gz IZJIJNYMIAGIRL-UHFFFAOYSA-N 1 0 346.387 2.452 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001116446912 1305885745 /nfs/dbraw/zinc/88/57/45/1305885745.db2.gz NGPGTOGXUCGQIS-VHSXEESVSA-N 1 0 347.462 2.345 20 5 EEBDRO [NH3+][C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC001122341174 1310265229 /nfs/dbraw/zinc/26/52/29/1310265229.db2.gz LMSPVMCHUGNYAQ-HUUCEWRRSA-N 1 0 329.400 2.403 20 5 EEBDRO N[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1(F)F ZINC001246579607 1310349319 /nfs/dbraw/zinc/34/93/19/1310349319.db2.gz CJMBNLHPRXUCBN-HNNXBMFYSA-N 1 0 340.374 2.232 20 5 EEBDRO COc1cc2ncnc(NCC[C@H]3CCC[N@@H+]3C)c2cc1[N+](=O)[O-] ZINC001160964986 1320335059 /nfs/dbraw/zinc/33/50/59/1320335059.db2.gz UUDISMMEQTYOOT-LLVKDONJSA-N 1 0 331.376 2.443 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000832490661 1314679118 /nfs/dbraw/zinc/67/91/18/1314679118.db2.gz PKWFPSLWZUHOLJ-VXGBXAGGSA-N 1 0 336.348 2.024 20 5 EEBDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000839863752 1315256097 /nfs/dbraw/zinc/25/60/97/1315256097.db2.gz KCHHXLLIEOIAGT-PRHODGIISA-N 1 0 349.284 2.405 20 5 EEBDRO Cc1nn(CN2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000840179861 1315318861 /nfs/dbraw/zinc/31/88/61/1315318861.db2.gz SWOZQXJJEFOENN-CQSZACIVSA-N 1 0 329.404 2.264 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854851 1315624624 /nfs/dbraw/zinc/62/46/24/1315624624.db2.gz FLWCYXCUYQNXNQ-QWRGUYRKSA-N 1 0 326.784 2.317 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000841857487 1315625179 /nfs/dbraw/zinc/62/51/79/1315625179.db2.gz ZQNPFRUIWCGLBO-SNVBAGLBSA-N 1 0 326.784 2.047 20 5 EEBDRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842477017 1315712932 /nfs/dbraw/zinc/71/29/32/1315712932.db2.gz ASKSGZOPYQGPMS-HNNXBMFYSA-N 1 0 338.795 2.015 20 5 EEBDRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842477975 1315713391 /nfs/dbraw/zinc/71/33/91/1315713391.db2.gz YDDSYXHONHCHLV-HNNXBMFYSA-N 1 0 338.795 2.015 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000842479808 1315713656 /nfs/dbraw/zinc/71/36/56/1315713656.db2.gz YTKWHXLFXYSOOB-RDJZCZTQSA-N 1 0 337.395 2.452 20 5 EEBDRO O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000842638542 1315741035 /nfs/dbraw/zinc/74/10/35/1315741035.db2.gz LRWBPWMVOZUFCN-GXFFZTMASA-N 1 0 329.316 2.268 20 5 EEBDRO CCc1ccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000842736789 1315764834 /nfs/dbraw/zinc/76/48/34/1315764834.db2.gz DCUUSLNFVAVMSH-UHFFFAOYSA-N 1 0 341.433 2.048 20 5 EEBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843075842 1315835704 /nfs/dbraw/zinc/83/57/04/1315835704.db2.gz AVNOGVBGILNQIA-FUHWJXTLSA-N 1 0 330.384 2.130 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843345742 1315895067 /nfs/dbraw/zinc/89/50/67/1315895067.db2.gz BRIJLAPGTJDJCV-QWRGUYRKSA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000843502507 1315924973 /nfs/dbraw/zinc/92/49/73/1315924973.db2.gz DMCCMFRASVMXQP-OLZOCXBDSA-N 1 0 334.420 2.441 20 5 EEBDRO COc1ncccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249342437 1317056921 /nfs/dbraw/zinc/05/69/21/1317056921.db2.gz LXYXIQJFCYZILU-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO CC(C)Oc1nc(-n2cncc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155063864 1317439405 /nfs/dbraw/zinc/43/94/05/1317439405.db2.gz HIEGLHSBTYDDLO-UHFFFAOYSA-N 1 0 331.376 2.430 20 5 EEBDRO CCc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155188354 1317493979 /nfs/dbraw/zinc/49/39/79/1317493979.db2.gz CQFWKZMUKVUGLH-IAQYHMDHSA-N 1 0 327.388 2.198 20 5 EEBDRO COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(C)(C)[NH3+] ZINC001155370296 1317567942 /nfs/dbraw/zinc/56/79/42/1317567942.db2.gz ALGHCZAACUWOOJ-OAHLLOKOSA-N 1 0 344.371 2.348 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155471693 1317611785 /nfs/dbraw/zinc/61/17/85/1317611785.db2.gz RSYOLJOCRBUONV-MRVPVSSYSA-N 1 0 347.202 2.477 20 5 EEBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001155473811 1317612615 /nfs/dbraw/zinc/61/26/15/1317612615.db2.gz HRZYOOMKOWYKLW-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)cnc2c1 ZINC001155591323 1317663340 /nfs/dbraw/zinc/66/33/40/1317663340.db2.gz HLDFJZLDHAXHDQ-YVEFUNNKSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155824441 1317749620 /nfs/dbraw/zinc/74/96/20/1317749620.db2.gz PQHVYJHHBRKCNO-SMDDNHRTSA-N 1 0 326.784 2.356 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC001156086545 1317870683 /nfs/dbraw/zinc/87/06/83/1317870683.db2.gz ISALMWUMNNSXRB-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001254556896 1318119688 /nfs/dbraw/zinc/11/96/88/1318119688.db2.gz NAQCLNGEBUPETM-OLMNPRSZSA-N 1 0 345.443 2.321 20 5 EEBDRO COC(=O)[C@H]1COCCC12C[NH+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254560534 1318120420 /nfs/dbraw/zinc/12/04/20/1318120420.db2.gz VCNVCCXIEYNPKU-UKRRQHHQSA-N 1 0 348.399 2.037 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ncccn1)C1CC[NH2+]CC1)C2 ZINC001254603815 1318140488 /nfs/dbraw/zinc/14/04/88/1318140488.db2.gz QYMVAWGHUVCPAU-KRWDZBQOSA-N 1 0 339.399 2.111 20 5 EEBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS1 ZINC001254612647 1318145368 /nfs/dbraw/zinc/14/53/68/1318145368.db2.gz XMXIOKKDFXITTF-CABCVRRESA-N 1 0 336.413 2.043 20 5 EEBDRO Cc1ccnc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612153 1318146128 /nfs/dbraw/zinc/14/61/28/1318146128.db2.gz VKNKWIHBVJKAJB-IRXDYDNUSA-N 1 0 340.383 2.314 20 5 EEBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C1 ZINC001157021364 1318350983 /nfs/dbraw/zinc/35/09/83/1318350983.db2.gz OJCGPXZVUMWONZ-VFADXPBXSA-N 1 0 333.436 2.441 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cncn3C)CC2)ccc1[N+](=O)[O-] ZINC001256082737 1318642912 /nfs/dbraw/zinc/64/29/12/1318642912.db2.gz JHYLVHFRBSQSOM-UHFFFAOYSA-N 1 0 345.403 2.096 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@H](O)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256093247 1318645728 /nfs/dbraw/zinc/64/57/28/1318645728.db2.gz IVMIXYUQIVOADJ-CZUORRHYSA-N 1 0 349.431 2.417 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001157739539 1318828298 /nfs/dbraw/zinc/82/82/98/1318828298.db2.gz LGMFQXDFEWNSRV-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158022475 1318974464 /nfs/dbraw/zinc/97/44/64/1318974464.db2.gz PBMQWOQJFGBEOF-MRVPVSSYSA-N 1 0 331.829 2.337 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CCO[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC001158306918 1319162255 /nfs/dbraw/zinc/16/22/55/1319162255.db2.gz RKZUUESNIFOLIU-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1cc(Cl)nc(NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001158356118 1319195429 /nfs/dbraw/zinc/19/54/29/1319195429.db2.gz MKFWPEYDZJTKQN-UHFFFAOYSA-N 1 0 336.783 2.254 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001159749894 1319979568 /nfs/dbraw/zinc/97/95/68/1319979568.db2.gz CZJLKDGXHFEQFN-UKRRQHHQSA-N 1 0 344.371 2.014 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160338882 1320138854 /nfs/dbraw/zinc/13/88/54/1320138854.db2.gz MBSUDEQOQOQOTE-UHFFFAOYSA-N 1 0 335.327 2.178 20 5 EEBDRO [NH3+]Cc1cc(Br)ccc1Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001161851983 1320647203 /nfs/dbraw/zinc/64/72/03/1320647203.db2.gz SXHZAOBGMHQQAQ-UHFFFAOYSA-N 1 0 339.149 2.193 20 5 EEBDRO COCCC1([NH3+])CCN(c2nc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC001162041874 1320730948 /nfs/dbraw/zinc/73/09/48/1320730948.db2.gz RHQJFCSLPSPZIT-UHFFFAOYSA-N 1 0 328.800 2.286 20 5 EEBDRO Cc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c(C)c1Br ZINC001162477078 1320868663 /nfs/dbraw/zinc/86/86/63/1320868663.db2.gz CDWNLEYAGYSLDK-IUCAKERBSA-N 1 0 347.188 2.481 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC001163053988 1321024864 /nfs/dbraw/zinc/02/48/64/1321024864.db2.gz XEUURIPIEDLJTE-GFCCVEGCSA-N 1 0 339.355 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c2ccncc21 ZINC001163172106 1321057952 /nfs/dbraw/zinc/05/79/52/1321057952.db2.gz QMVNXCRGGMMVGJ-QFSBIZTOSA-N 1 0 328.372 2.179 20 5 EEBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163255291 1321077674 /nfs/dbraw/zinc/07/76/74/1321077674.db2.gz XQWDHXSFDWFJHQ-AEFFLSMTSA-N 1 0 338.367 2.252 20 5 EEBDRO CC(=O)Nc1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282858 1321087368 /nfs/dbraw/zinc/08/73/68/1321087368.db2.gz BCPQOASHEMKZGB-CXAGYDPISA-N 1 0 348.403 2.124 20 5 EEBDRO COc1cc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1F ZINC001163325697 1321098357 /nfs/dbraw/zinc/09/83/57/1321098357.db2.gz XHQPKWRRAULVFP-ZUZCIYMTSA-N 1 0 325.340 2.066 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164469061 1321388333 /nfs/dbraw/zinc/38/83/33/1321388333.db2.gz WRRQGNTWRAZSIW-SFYZADRCSA-N 1 0 331.829 2.324 20 5 EEBDRO COc1cc2ncnc(N3C[C@H](C[NH3+])CC[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164469253 1321388822 /nfs/dbraw/zinc/38/88/22/1321388822.db2.gz ZDGNJXXLGWIZJN-QWRGUYRKSA-N 1 0 331.376 2.110 20 5 EEBDRO Cc1nc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001165672538 1321562686 /nfs/dbraw/zinc/56/26/86/1321562686.db2.gz VVJWDQQTWYHAAV-ZDUSSCGKSA-N 1 0 349.435 2.209 20 5 EEBDRO O=C(CCc1cncs1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001166751402 1321781377 /nfs/dbraw/zinc/78/13/77/1321781377.db2.gz QKRKBMVKLJNKKI-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351932961 1321944199 /nfs/dbraw/zinc/94/41/99/1321944199.db2.gz ADASDAILOCSDEQ-SJLPKXTDSA-N 1 0 347.415 2.041 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001261491890 1322114435 /nfs/dbraw/zinc/11/44/35/1322114435.db2.gz JVWZIJZIZYDEJC-ZETCQYMHSA-N 1 0 348.172 2.224 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001308079558 1331563496 /nfs/dbraw/zinc/56/34/96/1331563496.db2.gz LWGQLEAULRHDRL-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC001320413451 1332877663 /nfs/dbraw/zinc/87/76/63/1332877663.db2.gz ZBPMJSNRPWWDPS-SNVBAGLBSA-N 1 0 328.210 2.493 20 5 EEBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609191002 1351883773 /nfs/dbraw/zinc/88/37/73/1351883773.db2.gz CDXHKNSPKOYEII-GFCCVEGCSA-N 1 0 336.421 2.348 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001326408607 1334087161 /nfs/dbraw/zinc/08/71/61/1334087161.db2.gz PEBHQCSVBCFDNU-JSGCOSHPSA-N 1 0 332.404 2.335 20 5 EEBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609223184 1351900528 /nfs/dbraw/zinc/90/05/28/1351900528.db2.gz XSBDXXQHNRCUMJ-UHFFFAOYSA-N 1 0 333.396 2.309 20 5 EEBDRO CC[C@@]1(c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CC[NH2+]C1 ZINC001328413536 1334456102 /nfs/dbraw/zinc/45/61/02/1334456102.db2.gz SKSJESFKNISHDY-MRXNPFEDSA-N 1 0 332.360 2.218 20 5 EEBDRO C[NH+](C)C1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001332769388 1335902641 /nfs/dbraw/zinc/90/26/41/1335902641.db2.gz JJPBAWZPFIHTHK-UHFFFAOYSA-N 1 0 336.150 2.427 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480934 1336382770 /nfs/dbraw/zinc/38/27/70/1336382770.db2.gz DBNCLHXAKWRWAQ-LYRGGWFBSA-N 1 0 334.372 2.356 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001335837572 1336435463 /nfs/dbraw/zinc/43/54/63/1336435463.db2.gz CZAUAXKITCECJK-TXCZRRACSA-N 1 0 329.400 2.441 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339774904 1337071006 /nfs/dbraw/zinc/07/10/06/1337071006.db2.gz WLIYYZQCBNFWTA-OAHLLOKOSA-N 1 0 341.415 2.325 20 5 EEBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC001341642137 1337295747 /nfs/dbraw/zinc/29/57/47/1337295747.db2.gz HDOIHIQWUKJFDU-JKSUJKDBSA-N 1 0 329.400 2.300 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001344623247 1337404862 /nfs/dbraw/zinc/40/48/62/1337404862.db2.gz AFRIHHLLXBKKTL-PSASIEDQSA-N 1 0 329.809 2.064 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000847882846 1338357312 /nfs/dbraw/zinc/35/73/12/1338357312.db2.gz ZTGXXQLGWHGQJV-UHFFFAOYSA-N 1 0 347.371 2.344 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001575530850 1343820087 /nfs/dbraw/zinc/82/00/87/1343820087.db2.gz ILFBRLXKSWOHKL-KRWDZBQOSA-N 1 0 345.403 2.274 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576613671 1344040711 /nfs/dbraw/zinc/04/07/11/1344040711.db2.gz XTHWBZOAJQPOFT-WCBMZHEXSA-N 1 0 337.767 2.220 20 5 EEBDRO COC(=O)c1cc(NC(=O)c2ccc(CC[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC001578859840 1344310217 /nfs/dbraw/zinc/31/02/17/1344310217.db2.gz LCENRRNUSVWVBL-UHFFFAOYSA-N 1 0 343.339 2.135 20 5 EEBDRO CO[C@@](C)([C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578896672 1344315380 /nfs/dbraw/zinc/31/53/80/1344315380.db2.gz DYERBRNSKPCKCD-NVGVWMPQSA-N 1 0 335.404 2.089 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580258798 1344501804 /nfs/dbraw/zinc/50/18/04/1344501804.db2.gz YIFLSVIBTLTSAO-SCZZXKLOSA-N 1 0 331.294 2.471 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(-c2nn[nH]n2)c1 ZINC001593477844 1349811025 /nfs/dbraw/zinc/81/10/25/1349811025.db2.gz GWIAVEBNLUWUCN-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO [NH3+][C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000853248693 1369324662 /nfs/dbraw/zinc/32/46/62/1369324662.db2.gz XFJICCMDHPHZKN-GHMZBOCLSA-N 1 0 332.173 2.228 20 5 EEBDRO CN(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)CC1([NH+](C)C)CCC1 ZINC000853509398 1369341975 /nfs/dbraw/zinc/34/19/75/1369341975.db2.gz ZDFQWWNJDRDZMJ-UHFFFAOYSA-N 1 0 344.419 2.227 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863548463 1369565801 /nfs/dbraw/zinc/56/58/01/1369565801.db2.gz RCZMRCVTPXJQDY-AWEZNQCLSA-N 1 0 340.811 2.117 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111811503 1371259244 /nfs/dbraw/zinc/25/92/44/1371259244.db2.gz XILZZZSVXVLFOO-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839760066 1372915887 /nfs/dbraw/zinc/91/58/87/1372915887.db2.gz RXTNIKXEJONDFW-BZUAXINKSA-N 1 0 331.416 2.069 20 5 EEBDRO Cc1cc(C)nc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001753054806 1406644852 /nfs/dbraw/zinc/64/48/52/1406644852.db2.gz FQAWMMGGMPVMPB-UHFFFAOYSA-N 1 0 342.399 2.468 20 5 EEBDRO CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]([NH3+])CC ZINC001577500299 1403659971 /nfs/dbraw/zinc/65/99/71/1403659971.db2.gz XQZPSHKJFMTYID-ZDUSSCGKSA-N 1 0 332.408 2.437 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164767977 721282870 /nfs/dbraw/zinc/28/28/70/721282870.db2.gz IIOOZQRDJHUMHG-UHFFFAOYSA-N 1 0 337.811 2.269 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000840252605 782458274 /nfs/dbraw/zinc/45/82/74/782458274.db2.gz XSUJRRTZDHHLOJ-KOLCDFICSA-N 1 0 346.309 2.284 20 5 EEBDRO CCCC[NH+](CCCC)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001167733171 765335313 /nfs/dbraw/zinc/33/53/13/765335313.db2.gz OSIYQFRQEQEDCE-UHFFFAOYSA-N 1 0 337.424 2.403 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167754565 769554661 /nfs/dbraw/zinc/55/46/61/769554661.db2.gz SMEOVVGMQNBCFU-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001105415223 783184201 /nfs/dbraw/zinc/18/42/01/783184201.db2.gz IJURLKJUVCZDRH-UHFFFAOYSA-N 1 0 336.436 2.138 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091367079 790403298 /nfs/dbraw/zinc/40/32/98/790403298.db2.gz UPLKISAGARCDMS-OKILXGFUSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000846700328 790440431 /nfs/dbraw/zinc/44/04/31/790440431.db2.gz ALIGUCYSCAYBRH-UHFFFAOYSA-N 1 0 343.786 2.436 20 5 EEBDRO COCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035145168 783895967 /nfs/dbraw/zinc/89/59/67/783895967.db2.gz YQDKJXNXHPNSFO-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCC3CCCC3)C2)CC1 ZINC001035708353 784991470 /nfs/dbraw/zinc/99/14/70/784991470.db2.gz VRHDKISWMHATHT-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817907121 785061381 /nfs/dbraw/zinc/06/13/81/785061381.db2.gz KFLIPCKYFNUCOQ-GJZGRUSLSA-N 1 0 325.796 2.105 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000819151018 785423842 /nfs/dbraw/zinc/42/38/42/785423842.db2.gz XMMDNUUJQPTXGF-CZUORRHYSA-N 1 0 346.362 2.031 20 5 EEBDRO COc1ccc(COCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819202635 785460789 /nfs/dbraw/zinc/46/07/89/785460789.db2.gz BLVYOFUEODKAEE-GOSISDBHSA-N 1 0 346.383 2.443 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000909212846 786098874 /nfs/dbraw/zinc/09/88/74/786098874.db2.gz XPKOHEPBKWEQBI-LLVKDONJSA-N 1 0 340.811 2.387 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823981435 788007218 /nfs/dbraw/zinc/00/72/18/788007218.db2.gz YBYDCDCFKGEHAT-OLZOCXBDSA-N 1 0 333.392 2.268 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923288706 789317112 /nfs/dbraw/zinc/31/71/12/789317112.db2.gz BUKOAUUDJWGZQX-JTQLQIEISA-N 1 0 328.210 2.399 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000844909697 789481007 /nfs/dbraw/zinc/48/10/07/789481007.db2.gz PKTXVZAZIBVANX-NWDGAFQWSA-N 1 0 331.376 2.302 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000165972099 789595545 /nfs/dbraw/zinc/59/55/45/789595545.db2.gz RQMNKLQVZJQHQN-UFBFGSQYSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1ccc(NCCNC(=O)c2occc2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094073403 795913862 /nfs/dbraw/zinc/91/38/62/795913862.db2.gz USPRSNDCJYITKH-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153655729 796328699 /nfs/dbraw/zinc/32/86/99/796328699.db2.gz ADGGSFLUJUZBLR-INIZCTEOSA-N 1 0 344.419 2.083 20 5 EEBDRO CC(C)N1C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172902137 797130274 /nfs/dbraw/zinc/13/02/74/797130274.db2.gz VTEVGJFEXKSGGI-JKSUJKDBSA-N 1 0 331.416 2.441 20 5 EEBDRO CC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903441 797130533 /nfs/dbraw/zinc/13/05/33/797130533.db2.gz FYNALHCLWOJHJY-PBHICJAKSA-N 1 0 331.416 2.300 20 5 EEBDRO COC(=O)CCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177066 797277338 /nfs/dbraw/zinc/27/73/38/797277338.db2.gz NSDQYMCGZBIEHT-JTQLQIEISA-N 1 0 328.340 2.216 20 5 EEBDRO CCN1CC[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173177476 797277748 /nfs/dbraw/zinc/27/77/48/797277748.db2.gz ARPNNRANIJFSJR-VXGBXAGGSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cnc3c2C[NH2+]CC3)c1F ZINC001173179334 797278929 /nfs/dbraw/zinc/27/89/29/797278929.db2.gz DQTQGHAUEPRMDP-JTQLQIEISA-N 1 0 334.351 2.388 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCOCC2)CC1 ZINC001173230723 797310927 /nfs/dbraw/zinc/31/09/27/797310927.db2.gz ZXIAQDDCGQUEEP-OAHLLOKOSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001173229505 797311407 /nfs/dbraw/zinc/31/14/07/797311407.db2.gz XCQLGEFBHONQOD-ZOCIIQOWSA-N 1 0 345.443 2.321 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001173232854 797312495 /nfs/dbraw/zinc/31/24/95/797312495.db2.gz UDDVWFPCRDIMEC-ZDUSSCGKSA-N 1 0 333.388 2.490 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001173214295 797315909 /nfs/dbraw/zinc/31/59/09/797315909.db2.gz AJVKXMKHBUBYBY-CYBMUJFWSA-N 1 0 340.445 2.330 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001173236689 797322265 /nfs/dbraw/zinc/32/22/65/797322265.db2.gz FBHXURRDULLSIM-XJKSGUPXSA-N 1 0 328.372 2.469 20 5 EEBDRO Cc1ncc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC001002482240 798135621 /nfs/dbraw/zinc/13/56/21/798135621.db2.gz XLQAACPRYMRDKI-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO Cn1c2ccccc2c(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000823688766 798758151 /nfs/dbraw/zinc/75/81/51/798758151.db2.gz IQKKJKBBYVFMHO-CYBMUJFWSA-N 1 0 344.415 2.225 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922848616 802059777 /nfs/dbraw/zinc/05/97/77/802059777.db2.gz JVDPAWDNLJGURP-UHFFFAOYSA-N 1 0 339.417 2.030 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168977283 803543082 /nfs/dbraw/zinc/54/30/82/803543082.db2.gz JDWONMKHHPJIDF-SYQHCUMBSA-N 1 0 327.425 2.467 20 5 EEBDRO COc1ccccc1CN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030276 803576901 /nfs/dbraw/zinc/57/69/01/803576901.db2.gz XUEHQYLRRSALCJ-NVXWUHKLSA-N 1 0 333.432 2.258 20 5 EEBDRO O=C(c1ccccc1)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169045555 803578781 /nfs/dbraw/zinc/57/87/81/803578781.db2.gz JLMWXFPRMRTXEI-NVXWUHKLSA-N 1 0 331.416 2.280 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3nccc4occc43)CC2)C1 ZINC001169038353 803582221 /nfs/dbraw/zinc/58/22/21/803582221.db2.gz YHGBGVAUJOIEQR-ZIAGYGMSSA-N 1 0 330.388 2.395 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(CC)c21 ZINC001169019740 803587642 /nfs/dbraw/zinc/58/76/42/803587642.db2.gz JEMHBRKDDKCQCL-BPUTZDHNSA-N 1 0 336.436 2.284 20 5 EEBDRO CN1c2ccccc2[C@@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169023214 803589274 /nfs/dbraw/zinc/58/92/74/803589274.db2.gz DMNNNLLLSGJGBN-LBTNJELSSA-N 1 0 329.400 2.052 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001169048440 803594771 /nfs/dbraw/zinc/59/47/71/803594771.db2.gz VHANJWJWZBACNY-DYVFJYSZSA-N 1 0 349.406 2.465 20 5 EEBDRO CC(=O)Nc1ccc(-n2ncc3c2cccc3C[NH3+])cc1[N+](=O)[O-] ZINC001169191560 803645133 /nfs/dbraw/zinc/64/51/33/803645133.db2.gz DOLOXHXYQNYUTR-UHFFFAOYSA-N 1 0 325.328 2.351 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000789509903 808033317 /nfs/dbraw/zinc/03/33/17/808033317.db2.gz WGLANSZYSMDUCW-CVEARBPZSA-N 1 0 343.387 2.454 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncoc1C1CC1 ZINC001170172208 809809207 /nfs/dbraw/zinc/80/92/07/809809207.db2.gz ROJWLFPTWWROBV-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC001170352401 809901350 /nfs/dbraw/zinc/90/13/50/809901350.db2.gz MPDUJAGIWBRYDD-SJKOYZFVSA-N 1 0 349.387 2.109 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345374 809916452 /nfs/dbraw/zinc/91/64/52/809916452.db2.gz JNKJJYLHORVVIM-HIFRSBDPSA-N 1 0 349.431 2.335 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3nc(Cl)cc(Cl)c3[N+](=O)[O-])cc2C1 ZINC001157986925 811778715 /nfs/dbraw/zinc/77/87/15/811778715.db2.gz BMVVCZFCHDGKID-ZETCQYMHSA-N 1 0 328.159 2.298 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000808190100 812504488 /nfs/dbraw/zinc/50/44/88/812504488.db2.gz CBMLLGBLFPUKRH-CZUORRHYSA-N 1 0 344.419 2.164 20 5 EEBDRO C[C@H](COC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001519997999 1119119518 /nfs/dbraw/zinc/11/95/18/1119119518.db2.gz DRHJKSFRJMALME-AWEZNQCLSA-N 1 0 336.388 2.039 20 5 EEBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001520821152 1119196443 /nfs/dbraw/zinc/19/64/43/1119196443.db2.gz XUDVEGYHXYOZBY-CYBMUJFWSA-N 1 0 336.440 2.090 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056043243 214354294 /nfs/dbraw/zinc/35/42/94/214354294.db2.gz FGURPLCYTCRJJO-UHFFFAOYSA-N 1 0 334.420 2.492 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181500957 529690783 /nfs/dbraw/zinc/69/07/83/529690783.db2.gz SLOGLBCIMXPKPF-VIFPVBQESA-N 1 0 335.451 2.202 20 5 EEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408013946 282255316 /nfs/dbraw/zinc/25/53/16/282255316.db2.gz ZFEVPALAKZQBPN-SCRDCRAPSA-N 1 0 349.435 2.114 20 5 EEBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[N@H+](C)C1CC1 ZINC000189587420 529871547 /nfs/dbraw/zinc/87/15/47/529871547.db2.gz UHDAGGSDNDURSB-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000068554648 215319015 /nfs/dbraw/zinc/31/90/15/215319015.db2.gz SOZHTQPXFSAQTK-CQSZACIVSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429345495 295893989 /nfs/dbraw/zinc/89/39/89/295893989.db2.gz PYSUWOXFTGQHTB-OLZOCXBDSA-N 1 0 334.420 2.250 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000185080061 235577504 /nfs/dbraw/zinc/57/75/04/235577504.db2.gz HUXCIRMPFHPYQV-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178932154 283303829 /nfs/dbraw/zinc/30/38/29/283303829.db2.gz IJPNYVCATSCOMA-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO COc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1OCC[NH+](C)C ZINC000416337809 239191215 /nfs/dbraw/zinc/19/12/15/239191215.db2.gz BIEBPBZTZNJADM-UHFFFAOYSA-N 1 0 348.359 2.124 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000416308915 239174047 /nfs/dbraw/zinc/17/40/47/239174047.db2.gz SIPZPWPZUSBYHB-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422813346 240242911 /nfs/dbraw/zinc/24/29/11/240242911.db2.gz XYEUJOAODMHZHJ-JTQLQIEISA-N 1 0 343.836 2.408 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000426888671 241352884 /nfs/dbraw/zinc/35/28/84/241352884.db2.gz IZEKJVCLQPNHLN-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236788411 242357736 /nfs/dbraw/zinc/35/77/36/242357736.db2.gz KLDQYJZUGGYGIH-AWEZNQCLSA-N 1 0 345.403 2.226 20 5 EEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739502 242618209 /nfs/dbraw/zinc/61/82/09/242618209.db2.gz AZKOVLNZAFMBGT-RISCZKNCSA-N 1 0 344.396 2.152 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000238025705 242900706 /nfs/dbraw/zinc/90/07/06/242900706.db2.gz TWYJMPZTFRCEIH-CMPLNLGQSA-N 1 0 341.795 2.261 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262824071 245198551 /nfs/dbraw/zinc/19/85/51/245198551.db2.gz HCJASESIBMBUMV-DTWKUNHWSA-N 1 0 342.193 2.228 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740666 245231775 /nfs/dbraw/zinc/23/17/75/245231775.db2.gz BMBGORQRGGLULP-LSDHHAIUSA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459748318 245234256 /nfs/dbraw/zinc/23/42/56/245234256.db2.gz KERTWAYBMGQALN-NEPJUHHUSA-N 1 0 331.376 2.396 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459748331 245235425 /nfs/dbraw/zinc/23/54/25/245235425.db2.gz KERTWAYBMGQALN-VXGBXAGGSA-N 1 0 331.376 2.396 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000264214365 246192496 /nfs/dbraw/zinc/19/24/96/246192496.db2.gz UNIWMTCKJUEREC-UHFFFAOYSA-N 1 0 346.412 2.496 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000492072062 246287205 /nfs/dbraw/zinc/28/72/05/246287205.db2.gz HZPPUFXCSKGLSX-HSUNPXRSSA-N 1 0 333.363 2.489 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c2nonc21 ZINC000264303907 246323102 /nfs/dbraw/zinc/32/31/02/246323102.db2.gz RXEAGDQSJZFSKR-UHFFFAOYSA-N 1 0 347.375 2.188 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCC3)CC2)c2c(c1)COCO2 ZINC000264978383 247103513 /nfs/dbraw/zinc/10/35/13/247103513.db2.gz JYLJFVQIUFJXQH-UHFFFAOYSA-N 1 0 333.388 2.131 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265020586 247139952 /nfs/dbraw/zinc/13/99/52/247139952.db2.gz DXJFFOBREUTVID-SNVBAGLBSA-N 1 0 337.767 2.062 20 5 EEBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266521105 248342758 /nfs/dbraw/zinc/34/27/58/248342758.db2.gz CPNGUUVVCUEBIG-IAQYHMDHSA-N 1 0 338.795 2.499 20 5 EEBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266522335 248343289 /nfs/dbraw/zinc/34/32/89/248343289.db2.gz ISBKHRBWPZVIRV-SJLPKXTDSA-N 1 0 344.415 2.168 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068629 217914842 /nfs/dbraw/zinc/91/48/42/217914842.db2.gz BNRCERNAHZGQBB-JKSUJKDBSA-N 1 0 343.387 2.175 20 5 EEBDRO COc1ccc(OCCN(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000187000010 533014405 /nfs/dbraw/zinc/01/44/05/533014405.db2.gz VQGVTYGUONRAGQ-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000267988854 256102663 /nfs/dbraw/zinc/10/26/63/256102663.db2.gz PRJVPOXGPUWMIL-TZMCWYRMSA-N 1 0 342.399 2.291 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268002626 256103975 /nfs/dbraw/zinc/10/39/75/256103975.db2.gz IRUOLFIDZQFPAN-CVEARBPZSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268044054 256107964 /nfs/dbraw/zinc/10/79/64/256107964.db2.gz ZDHRVMTUOCAJHI-DZGCQCFKSA-N 1 0 334.420 2.119 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268133063 256117529 /nfs/dbraw/zinc/11/75/29/256117529.db2.gz BBOKEXDSGIGJDR-CQSZACIVSA-N 1 0 331.372 2.222 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000271292623 256229758 /nfs/dbraw/zinc/22/97/58/256229758.db2.gz GCUZNOGYZZBMCW-SNVBAGLBSA-N 1 0 349.416 2.013 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273109092 256266293 /nfs/dbraw/zinc/26/62/93/256266293.db2.gz KJTDTQLZZBQLAZ-JTQLQIEISA-N 1 0 343.836 2.408 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273499912 256302081 /nfs/dbraw/zinc/30/20/81/256302081.db2.gz LYTUUOFZFYJWOW-LSDHHAIUSA-N 1 0 335.429 2.247 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000273422952 256295109 /nfs/dbraw/zinc/29/51/09/256295109.db2.gz ZCHXXHBKHAHYRZ-ZFWWWQNUSA-N 1 0 331.372 2.500 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276044755 256397770 /nfs/dbraw/zinc/39/77/70/256397770.db2.gz HERMRKKOEVQFNN-GXTWGEPZSA-N 1 0 339.417 2.037 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000277119635 256499402 /nfs/dbraw/zinc/49/94/02/256499402.db2.gz FIBDWLUBWFEKGJ-GFCCVEGCSA-N 1 0 339.367 2.055 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000119351323 221300946 /nfs/dbraw/zinc/30/09/46/221300946.db2.gz LGWVBLMZUXHIJM-GFCCVEGCSA-N 1 0 345.403 2.179 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000097045562 258068197 /nfs/dbraw/zinc/06/81/97/258068197.db2.gz UXHANBJPKROXCD-UHFFFAOYSA-N 1 0 329.360 2.176 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356588599 141022289 /nfs/dbraw/zinc/02/22/89/141022289.db2.gz AQPBPAYFYWTQJK-UHFFFAOYSA-N 1 0 348.447 2.085 20 5 EEBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000173868563 152204087 /nfs/dbraw/zinc/20/40/87/152204087.db2.gz VEGCUGZSZHOYDN-HNNXBMFYSA-N 1 0 348.447 2.268 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1[N+](=O)[O-] ZINC000352260715 153027317 /nfs/dbraw/zinc/02/73/17/153027317.db2.gz AWTKZSMODFNVTB-UHFFFAOYSA-N 1 0 343.339 2.338 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389129 154174654 /nfs/dbraw/zinc/17/46/54/154174654.db2.gz FULRDBAIAFUYAK-YOEHRIQHSA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261965746 160430181 /nfs/dbraw/zinc/43/01/81/160430181.db2.gz MVYDCOVLVAVWBL-GARJFASQSA-N 1 0 341.795 2.211 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000130737583 292378303 /nfs/dbraw/zinc/37/83/03/292378303.db2.gz CJTCBTZUTQSMNU-UHFFFAOYSA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000216117455 160215545 /nfs/dbraw/zinc/21/55/45/160215545.db2.gz POXXBGZDVVNMLL-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245930213 160258296 /nfs/dbraw/zinc/25/82/96/160258296.db2.gz ZVIGNZYPJNYVRV-KCQAQPDRSA-N 1 0 335.404 2.238 20 5 EEBDRO C[N@H+](CCc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1)C1CC1 ZINC000342072179 161036994 /nfs/dbraw/zinc/03/69/94/161036994.db2.gz BTDQFAMKDVBJCU-UHFFFAOYSA-N 1 0 343.387 2.067 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000342168957 161045154 /nfs/dbraw/zinc/04/51/54/161045154.db2.gz WMKNUGMQIDNMPX-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(F)c2)cc1 ZINC000342369997 161060117 /nfs/dbraw/zinc/06/01/17/161060117.db2.gz COIFKRNQTMUEMV-UHFFFAOYSA-N 1 0 338.360 2.297 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000342499978 161070148 /nfs/dbraw/zinc/07/01/48/161070148.db2.gz OSHRQNAHIPURON-BLLLJJGKSA-N 1 0 342.399 2.148 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000343633937 161153209 /nfs/dbraw/zinc/15/32/09/161153209.db2.gz FGAZILIETWVBLQ-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[N@@H+]1C ZINC000344233931 161209624 /nfs/dbraw/zinc/20/96/24/161209624.db2.gz CXONQUVLIWAMLF-LRDDRELGSA-N 1 0 332.404 2.145 20 5 EEBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000344425193 161226383 /nfs/dbraw/zinc/22/63/83/161226383.db2.gz VIFWDFHUWALKAW-ZIAGYGMSSA-N 1 0 334.420 2.315 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345941782 161344189 /nfs/dbraw/zinc/34/41/89/161344189.db2.gz DNDINWQMYWMQLR-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000355000202 163046351 /nfs/dbraw/zinc/04/63/51/163046351.db2.gz MZQWYTYASMEZJT-ABAIWWIYSA-N 1 0 331.376 2.048 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357184736 163644050 /nfs/dbraw/zinc/64/40/50/163644050.db2.gz DZQWCMARPISVIJ-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO [NH3+]CCCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000357817208 163760995 /nfs/dbraw/zinc/76/09/95/163760995.db2.gz QENLDRJRXWZIJR-UHFFFAOYSA-N 1 0 335.282 2.005 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430253 167041168 /nfs/dbraw/zinc/04/11/68/167041168.db2.gz RWKMPJBFQNOYDC-HYVNUMGLSA-N 1 0 337.395 2.417 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000158506010 225030141 /nfs/dbraw/zinc/03/01/41/225030141.db2.gz QBRBTXGLEOVDOQ-SMDDNHRTSA-N 1 0 325.796 2.424 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+](C)C ZINC000274835045 269060649 /nfs/dbraw/zinc/06/06/49/269060649.db2.gz SDDZTXBMSZAVND-ZIAGYGMSSA-N 1 0 338.433 2.413 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000275258595 269105359 /nfs/dbraw/zinc/10/53/59/269105359.db2.gz RPXRYPMOGQYWPE-DZGCQCFKSA-N 1 0 337.376 2.089 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000275770020 269140670 /nfs/dbraw/zinc/14/06/70/269140670.db2.gz DHQYFSIRAPWLAM-UHFFFAOYSA-N 1 0 349.416 2.156 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000277634184 269165532 /nfs/dbraw/zinc/16/55/32/269165532.db2.gz SMPFELPSQQESSH-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO COc1cc(C[NH2+]CCC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000279354781 269273623 /nfs/dbraw/zinc/27/36/23/269273623.db2.gz GMPONAXVQYTDOT-JTQLQIEISA-N 1 0 348.346 2.498 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279784373 269305701 /nfs/dbraw/zinc/30/57/01/269305701.db2.gz HTUFPSKTRCWNAI-JTQLQIEISA-N 1 0 343.786 2.340 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184115 269335834 /nfs/dbraw/zinc/33/58/34/269335834.db2.gz AJSOKZCKOUBRIU-QEJZJMRPSA-N 1 0 338.404 2.289 20 5 EEBDRO CSc1ccccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000280428479 269361356 /nfs/dbraw/zinc/36/13/56/269361356.db2.gz MHGHGJAKPYGXMJ-AWEZNQCLSA-N 1 0 336.417 2.006 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000280487379 269365840 /nfs/dbraw/zinc/36/58/40/269365840.db2.gz LWWZSHHAPZGHHI-CYBMUJFWSA-N 1 0 335.404 2.325 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000280567251 269374025 /nfs/dbraw/zinc/37/40/25/269374025.db2.gz VMDKUFGCRLMYCV-UHFFFAOYSA-N 1 0 343.786 2.482 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000280852826 269393799 /nfs/dbraw/zinc/39/37/99/269393799.db2.gz CQVFZEZRMGDORF-PBHICJAKSA-N 1 0 347.415 2.225 20 5 EEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451633160 274063217 /nfs/dbraw/zinc/06/32/17/274063217.db2.gz PRFWQORDXIDARA-DGCLKSJQSA-N 1 0 327.768 2.344 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000266200683 274118424 /nfs/dbraw/zinc/11/84/24/274118424.db2.gz DHPRWAJWTBEVKC-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000280958498 274614236 /nfs/dbraw/zinc/61/42/36/274614236.db2.gz KGTWCRQCIJPTBG-AWEZNQCLSA-N 1 0 338.429 2.484 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374633486 274659726 /nfs/dbraw/zinc/65/97/26/274659726.db2.gz YEQHTPCOYCKUJK-ZLKJLUDKSA-N 1 0 348.359 2.011 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000287198093 274944104 /nfs/dbraw/zinc/94/41/04/274944104.db2.gz HZKYXSOTIUNTHY-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000288579434 275072182 /nfs/dbraw/zinc/07/21/82/275072182.db2.gz IJYODASDNCYHQG-CXAGYDPISA-N 1 0 347.415 2.353 20 5 EEBDRO CC[NH+](CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])CC(C)C ZINC000290444354 275208001 /nfs/dbraw/zinc/20/80/01/275208001.db2.gz CHGYODHCJXTIQI-GFCCVEGCSA-N 1 0 337.424 2.257 20 5 EEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000290742989 275235147 /nfs/dbraw/zinc/23/51/47/275235147.db2.gz XPQHAANXQKGKAF-UHFFFAOYSA-N 1 0 337.424 2.355 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)CC1 ZINC000292793362 275480323 /nfs/dbraw/zinc/48/03/23/275480323.db2.gz YCYLSCUACDJUDZ-AWEZNQCLSA-N 1 0 336.411 2.259 20 5 EEBDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589037 275558904 /nfs/dbraw/zinc/55/89/04/275558904.db2.gz WJVBVMCSMYYCPZ-ZIAGYGMSSA-N 1 0 337.424 2.027 20 5 EEBDRO CNC(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152434789 277017477 /nfs/dbraw/zinc/01/74/77/277017477.db2.gz KOZUKFAFUHNUSX-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000374686892 277369139 /nfs/dbraw/zinc/36/91/39/277369139.db2.gz OVTGFIHDLCTAAJ-DXEWXGHRSA-N 1 0 348.399 2.321 20 5 EEBDRO COc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373556 278063414 /nfs/dbraw/zinc/06/34/14/278063414.db2.gz SKQLXFJSUKUWDP-OCCSQVGLSA-N 1 0 331.376 2.468 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293095428 293124015 /nfs/dbraw/zinc/12/40/15/293124015.db2.gz XIGRRQJQWXKJJB-KDOFPFPSSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293234890 293158052 /nfs/dbraw/zinc/15/80/52/293158052.db2.gz YWWKNXKSYINGNL-UHFFFAOYSA-N 1 0 347.337 2.473 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293429500 293206365 /nfs/dbraw/zinc/20/63/65/293206365.db2.gz NTRXLVRSUNRBAW-MBNYWOFBSA-N 1 0 334.420 2.255 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293603415 293249265 /nfs/dbraw/zinc/24/92/65/293249265.db2.gz ZYQBMTRMOBVSQY-ZOWXZIJZSA-N 1 0 335.429 2.286 20 5 EEBDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294073493 293363568 /nfs/dbraw/zinc/36/35/68/293363568.db2.gz HYNONGFAUBSPHH-JTQLQIEISA-N 1 0 333.417 2.373 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000297143156 294162704 /nfs/dbraw/zinc/16/27/04/294162704.db2.gz NTUKONNRMNJJHM-OAHLLOKOSA-N 1 0 347.415 2.375 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000297383384 294229046 /nfs/dbraw/zinc/22/90/46/294229046.db2.gz RGIPKZFJVAOOJU-MSOLQXFVSA-N 1 0 347.459 2.352 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000298543468 294524733 /nfs/dbraw/zinc/52/47/33/294524733.db2.gz XSIQTSBCJIWTLA-QGZVFWFLSA-N 1 0 328.372 2.298 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424005621 297232642 /nfs/dbraw/zinc/23/26/42/297232642.db2.gz AMGJBZHGEPVQOB-CHWSQXEVSA-N 1 0 334.420 2.108 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262026073 297362451 /nfs/dbraw/zinc/36/24/51/297362451.db2.gz NGRVEAUPGCVXGN-BETUJISGSA-N 1 0 346.431 2.026 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187750 300232101 /nfs/dbraw/zinc/23/21/01/300232101.db2.gz UZDMYTROBJCUCU-WFASDCNBSA-N 1 0 332.404 2.219 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160395784 311354035 /nfs/dbraw/zinc/35/40/35/311354035.db2.gz RZQVADOBPCRHNC-AWEZNQCLSA-N 1 0 348.447 2.106 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332488981 312015173 /nfs/dbraw/zinc/01/51/73/312015173.db2.gz ODHCXERDXVXJES-ZBFHGGJFSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCOC1 ZINC000355374580 312395206 /nfs/dbraw/zinc/39/52/06/312395206.db2.gz VJDQEBFLFMIJKR-XEZPLFJOSA-N 1 0 333.388 2.105 20 5 EEBDRO C[C@@]1(F)C[NH2+]CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414768059 313082237 /nfs/dbraw/zinc/08/22/37/313082237.db2.gz KYLXRQFVKXEPIP-CQSZACIVSA-N 1 0 333.310 2.330 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000414957113 313115209 /nfs/dbraw/zinc/11/52/09/313115209.db2.gz VSUPAPLHFHSUMN-IUCAKERBSA-N 1 0 344.318 2.410 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000452079257 315491208 /nfs/dbraw/zinc/49/12/08/315491208.db2.gz FQTVOELDCLMTRC-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO COCC[N@H+](C)CC[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000505569653 316363408 /nfs/dbraw/zinc/36/34/08/316363408.db2.gz ACFZXBMXCRXSTR-HNNXBMFYSA-N 1 0 347.419 2.450 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000516453436 316559130 /nfs/dbraw/zinc/55/91/30/316559130.db2.gz MWJSKLBDERVVBU-ZDUSSCGKSA-N 1 0 345.403 2.099 20 5 EEBDRO Cc1[nH+]c2c(n1C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCCC2 ZINC000520630629 316872008 /nfs/dbraw/zinc/87/20/08/316872008.db2.gz OKWSQDVEVFQRTE-CYBMUJFWSA-N 1 0 331.372 2.418 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000527038652 317145008 /nfs/dbraw/zinc/14/50/08/317145008.db2.gz NQKHMDGEQCCQHW-UKTHLTGXSA-N 1 0 338.429 2.413 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCSC1 ZINC000531359797 317789629 /nfs/dbraw/zinc/78/96/29/317789629.db2.gz HITDSNBNDLKPRC-OAHLLOKOSA-N 1 0 349.416 2.093 20 5 EEBDRO Cc1nccn1CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535765370 317980720 /nfs/dbraw/zinc/98/07/20/317980720.db2.gz LJILMNNWDXGMKO-UHFFFAOYSA-N 1 0 344.419 2.097 20 5 EEBDRO C[C@H]1CCN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000540802097 318078502 /nfs/dbraw/zinc/07/85/02/318078502.db2.gz DYFIUGCUMJXWNH-AWEZNQCLSA-N 1 0 343.431 2.427 20 5 EEBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000544413734 318187339 /nfs/dbraw/zinc/18/73/39/318187339.db2.gz JTBBMHMYGNSTJM-AWEZNQCLSA-N 1 0 339.392 2.193 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000550086046 318445692 /nfs/dbraw/zinc/44/56/92/318445692.db2.gz QZWHLZNWTXEVFH-MRXNPFEDSA-N 1 0 346.383 2.175 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000560860163 318816223 /nfs/dbraw/zinc/81/62/23/318816223.db2.gz PNSIVLXUGQHUCV-ZDUSSCGKSA-N 1 0 338.310 2.403 20 5 EEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1[NH+](C)C ZINC000565230559 319164706 /nfs/dbraw/zinc/16/47/06/319164706.db2.gz SVMRSHYTXUESDM-CHWSQXEVSA-N 1 0 340.449 2.259 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000565345063 319173828 /nfs/dbraw/zinc/17/38/28/319173828.db2.gz KHBBEDACQUMGEJ-NSHDSACASA-N 1 0 331.376 2.164 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1SC ZINC000566011520 319235460 /nfs/dbraw/zinc/23/54/60/319235460.db2.gz WAJBQVJYMJKBKV-IUCAKERBSA-N 1 0 327.406 2.181 20 5 EEBDRO Cc1nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)sc1C ZINC000566111032 319245914 /nfs/dbraw/zinc/24/59/14/319245914.db2.gz WNHQXVSSWHWBFL-ZDUSSCGKSA-N 1 0 337.401 2.198 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1COc2ccccc21 ZINC000567465300 319381828 /nfs/dbraw/zinc/38/18/28/319381828.db2.gz XXZXYRQPGVQURY-KBPBESRZSA-N 1 0 344.367 2.100 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000567557079 319389522 /nfs/dbraw/zinc/38/95/22/319389522.db2.gz AFGVENZLMVWJNO-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567908141 319433371 /nfs/dbraw/zinc/43/33/71/319433371.db2.gz YAKOKSKFERLWQC-DZGCQCFKSA-N 1 0 346.431 2.007 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000568988353 319536252 /nfs/dbraw/zinc/53/62/52/319536252.db2.gz QORCQAPNZOMDQF-VHSXEESVSA-N 1 0 329.784 2.259 20 5 EEBDRO C[C@]1(F)C[NH2+]CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000576403493 320168912 /nfs/dbraw/zinc/16/89/12/320168912.db2.gz VMQOYXQJECNCLY-KRWDZBQOSA-N 1 0 348.378 2.426 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000576519244 320179536 /nfs/dbraw/zinc/17/95/36/320179536.db2.gz DNXPKUUMTXDGDX-OAHLLOKOSA-N 1 0 334.420 2.354 20 5 EEBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC(=O)N(C)C1 ZINC000577572747 320262477 /nfs/dbraw/zinc/26/24/77/320262477.db2.gz LGUXVCHKOGYTOH-HNNXBMFYSA-N 1 0 344.371 2.302 20 5 EEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435858 320313998 /nfs/dbraw/zinc/31/39/98/320313998.db2.gz UZECUUGLRTZUQO-JSGCOSHPSA-N 1 0 326.393 2.128 20 5 EEBDRO CCOC(=O)C[C@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182637250 323380880 /nfs/dbraw/zinc/38/08/80/323380880.db2.gz GSFZQHCWQDZGMT-NSHDSACASA-N 1 0 348.359 2.418 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCCS1 ZINC000580829368 324136573 /nfs/dbraw/zinc/13/65/73/324136573.db2.gz ATBBXJIXFNMTCF-CHWSQXEVSA-N 1 0 326.418 2.210 20 5 EEBDRO CC(C)c1ccc(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582900169 324553121 /nfs/dbraw/zinc/55/31/21/324553121.db2.gz FYJUDCWFWFYPTJ-GOSISDBHSA-N 1 0 346.431 2.498 20 5 EEBDRO CC(C)([NH3+])c1noc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000583082192 324588910 /nfs/dbraw/zinc/58/89/10/324588910.db2.gz JNHOIQUZSAFJBI-UHFFFAOYSA-N 1 0 328.332 2.083 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000286788465 465026153 /nfs/dbraw/zinc/02/61/53/465026153.db2.gz GQWNQINMNQOXHP-YOEHRIQHSA-N 1 0 346.431 2.406 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354630685 465064939 /nfs/dbraw/zinc/06/49/39/465064939.db2.gz VTOIUIQQVKXDKR-STQMWFEESA-N 1 0 341.433 2.088 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351616905 465253431 /nfs/dbraw/zinc/25/34/31/465253431.db2.gz BGBADGUBRQNHAF-TZMCWYRMSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351652862 465275033 /nfs/dbraw/zinc/27/50/33/465275033.db2.gz SZUHAFXCNXQOLT-JSGCOSHPSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CNc1ccc3c([nH+]1)CCC3)OCCO2 ZINC000590662208 468298587 /nfs/dbraw/zinc/29/85/87/468298587.db2.gz WZVHOBFHPWNTQT-UHFFFAOYSA-N 1 0 327.340 2.862 20 5 EEBDRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153158621 462621061 /nfs/dbraw/zinc/62/10/61/462621061.db2.gz LSIQBPBBZIYZML-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000590689922 468308281 /nfs/dbraw/zinc/30/82/81/468308281.db2.gz LOYDUSFCDGKHFJ-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000046782890 462703999 /nfs/dbraw/zinc/70/39/99/462703999.db2.gz PKQPESMGXBZCHN-UHFFFAOYSA-N 1 0 339.351 2.323 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cnn(C)c1 ZINC000130477765 462758298 /nfs/dbraw/zinc/75/82/98/462758298.db2.gz VZINIOWLMQPART-JTQLQIEISA-N 1 0 335.339 2.147 20 5 EEBDRO Cc1c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000047433347 462782680 /nfs/dbraw/zinc/78/26/80/462782680.db2.gz HMXQVOLTGRXWAC-BETUJISGSA-N 1 0 335.404 2.132 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065892767 462837645 /nfs/dbraw/zinc/83/76/45/462837645.db2.gz PJOLEOKXADRUBN-ZNMIVQPWSA-N 1 0 348.447 2.489 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076774540 462908419 /nfs/dbraw/zinc/90/84/19/462908419.db2.gz LRXFAIMENVQCTG-CYBMUJFWSA-N 1 0 348.403 2.217 20 5 EEBDRO CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000119864134 462935517 /nfs/dbraw/zinc/93/55/17/462935517.db2.gz LQZRNCIYBFEVDL-UHFFFAOYSA-N 1 0 340.383 2.401 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000067233206 462981927 /nfs/dbraw/zinc/98/19/27/462981927.db2.gz LJBZKBUIUICKRR-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000093332892 463028226 /nfs/dbraw/zinc/02/82/26/463028226.db2.gz IPWGEADHUAIMHS-WFASDCNBSA-N 1 0 331.372 2.495 20 5 EEBDRO O=C(NC1CC1)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000052472607 463082007 /nfs/dbraw/zinc/08/20/07/463082007.db2.gz WSCWTOFTFVGQPC-UHFFFAOYSA-N 1 0 344.415 2.019 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+](C)C)cc1OC ZINC000068472108 463141913 /nfs/dbraw/zinc/14/19/13/463141913.db2.gz YCGNOVXHAJWMDL-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000079896338 463258938 /nfs/dbraw/zinc/25/89/38/463258938.db2.gz CBWBGFQUGVTUCJ-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000144588937 463377430 /nfs/dbraw/zinc/37/74/30/463377430.db2.gz DLTVDAFOWFKLTH-ZBFHGGJFSA-N 1 0 349.431 2.000 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104755751 463421347 /nfs/dbraw/zinc/42/13/47/463421347.db2.gz ZJTRSHUYXRABDB-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768210 463424245 /nfs/dbraw/zinc/42/42/45/463424245.db2.gz AWLMVENSFTZPMX-OAHLLOKOSA-N 1 0 346.431 2.259 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000058161990 463546898 /nfs/dbraw/zinc/54/68/98/463546898.db2.gz OUSBVKVUHWAQEP-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO C[NH+](C)CC(C)(C)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000073868129 463664100 /nfs/dbraw/zinc/66/41/00/463664100.db2.gz OSYPKYCHFKPIBF-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073900278 463668626 /nfs/dbraw/zinc/66/86/26/463668626.db2.gz WLUFVXRJNUOHMZ-HNNXBMFYSA-N 1 0 334.420 2.468 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000170656905 463690879 /nfs/dbraw/zinc/69/08/79/463690879.db2.gz FTHVYCTXWQFWKD-UHFFFAOYSA-N 1 0 347.824 2.012 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000177449574 463707466 /nfs/dbraw/zinc/70/74/66/463707466.db2.gz KNVVRAUNMFGACQ-QGZVFWFLSA-N 1 0 349.387 2.117 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000193683654 463726378 /nfs/dbraw/zinc/72/63/78/463726378.db2.gz PKFKFRMVTAFLJN-CYBMUJFWSA-N 1 0 338.408 2.182 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193858081 463750182 /nfs/dbraw/zinc/75/01/82/463750182.db2.gz MUOKCZIMVSXDSB-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000268926665 463811384 /nfs/dbraw/zinc/81/13/84/463811384.db2.gz AYYDTKULOQHXJL-HOTGVXAUSA-N 1 0 334.420 2.478 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000276997948 463836177 /nfs/dbraw/zinc/83/61/77/463836177.db2.gz NXKPFGOFCIRZHR-OCCSQVGLSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000261784934 463859180 /nfs/dbraw/zinc/85/91/80/463859180.db2.gz GHFKCGRUNINDKU-NRFANRHFSA-N 1 0 349.434 2.352 20 5 EEBDRO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287329594 463871168 /nfs/dbraw/zinc/87/11/68/463871168.db2.gz WWWGUOJZDGMGLU-SJPCQFCGSA-N 1 0 346.431 2.404 20 5 EEBDRO CC[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc([N+](=O)[O-])c1 ZINC000194820868 463936161 /nfs/dbraw/zinc/93/61/61/463936161.db2.gz INYBROBHCMBKRP-GFCCVEGCSA-N 1 0 334.401 2.434 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269274722 463937552 /nfs/dbraw/zinc/93/75/52/463937552.db2.gz OBBJUTLSJVWJIE-NSHDSACASA-N 1 0 330.182 2.070 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000178729064 463954448 /nfs/dbraw/zinc/95/44/48/463954448.db2.gz DABJTRBIVNUACZ-UHFFFAOYSA-N 1 0 338.408 2.085 20 5 EEBDRO CN1CCN(C)[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957834 464015359 /nfs/dbraw/zinc/01/53/59/464015359.db2.gz BBSIMBKZIXSFIV-WMLDXEAASA-N 1 0 332.448 2.153 20 5 EEBDRO Cc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000172460034 464084978 /nfs/dbraw/zinc/08/49/78/464084978.db2.gz RJVQXIJZWKOYJV-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000279270216 464085457 /nfs/dbraw/zinc/08/54/57/464085457.db2.gz JCBIIQIJRYWLGS-CHWSQXEVSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000269785284 464093655 /nfs/dbraw/zinc/09/36/55/464093655.db2.gz HQYIJHIGSYTLRZ-AAEUAGOBSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270805 464180356 /nfs/dbraw/zinc/18/03/56/464180356.db2.gz SDROUOFKQPWSAV-DYVFJYSZSA-N 1 0 343.383 2.221 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000270117189 464191107 /nfs/dbraw/zinc/19/11/07/464191107.db2.gz NFPIXXGAMMTBSB-IINYFYTJSA-N 1 0 341.795 2.280 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237322312 464304189 /nfs/dbraw/zinc/30/41/89/464304189.db2.gz ZJQIQKKGAVSNBU-MNOVXSKESA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[NH2+]1 ZINC000237482889 464327593 /nfs/dbraw/zinc/32/75/93/464327593.db2.gz UJHOGZVNTGVJJD-BDAKNGLRSA-N 1 0 342.193 2.180 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000264461367 464335936 /nfs/dbraw/zinc/33/59/36/464335936.db2.gz VDWTYPRCOCWQDD-BBRMVZONSA-N 1 0 335.404 2.467 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237992389 464416549 /nfs/dbraw/zinc/41/65/49/464416549.db2.gz MUZUJMYPBIDRLB-DOMZBBRYSA-N 1 0 343.387 2.028 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)nc1 ZINC000245430137 464480340 /nfs/dbraw/zinc/48/03/40/464480340.db2.gz ACIKNCVFPJXTEW-NVXWUHKLSA-N 1 0 342.399 2.080 20 5 EEBDRO COCCCNC(=O)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000181442850 464489668 /nfs/dbraw/zinc/48/96/68/464489668.db2.gz QCVJCIXBBYPMLM-UHFFFAOYSA-N 1 0 346.387 2.040 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000272232588 464529078 /nfs/dbraw/zinc/52/90/78/464529078.db2.gz JWPIWJYPHXDFEX-HUUCEWRRSA-N 1 0 349.434 2.350 20 5 EEBDRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000181983116 464545463 /nfs/dbraw/zinc/54/54/63/464545463.db2.gz PRPNYEWVHVJJKM-GOSISDBHSA-N 1 0 330.384 2.431 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460861 464620324 /nfs/dbraw/zinc/62/03/24/464620324.db2.gz OMHIDUWOJBJADV-ZENOOKHLSA-N 1 0 332.404 2.391 20 5 EEBDRO CC(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000272550915 464656939 /nfs/dbraw/zinc/65/69/39/464656939.db2.gz WNVMGYXPXICBLX-AWEZNQCLSA-N 1 0 327.812 2.493 20 5 EEBDRO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265851461 464708818 /nfs/dbraw/zinc/70/88/18/464708818.db2.gz XOFZMIXCJHOAQV-ZDUSSCGKSA-N 1 0 331.416 2.473 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170207 464730486 /nfs/dbraw/zinc/73/04/86/464730486.db2.gz RPPITLUZRLEWNY-ZJUUUORDSA-N 1 0 337.351 2.098 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000282203469 464734842 /nfs/dbraw/zinc/73/48/42/464734842.db2.gz GXAHAEBUMOAOTH-BBNOBNGHSA-N 1 0 344.358 2.403 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000295197791 464741896 /nfs/dbraw/zinc/74/18/96/464741896.db2.gz YFVLFIUOHDOKBJ-CQSZACIVSA-N 1 0 337.376 2.266 20 5 EEBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000295416678 464824215 /nfs/dbraw/zinc/82/42/15/464824215.db2.gz UUJTYPYMOGCDNJ-VIFPVBQESA-N 1 0 344.209 2.285 20 5 EEBDRO COCC[N@@H+](Cc1cccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191237427 464804535 /nfs/dbraw/zinc/80/45/35/464804535.db2.gz MCDDNWJJLLCWSG-KRWDZBQOSA-N 1 0 331.372 2.172 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000248876284 464813196 /nfs/dbraw/zinc/81/31/96/464813196.db2.gz QUWICSMAZFSXCI-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO O=c1[nH]c(NC2CC[NH+](C3CC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286214088 464841185 /nfs/dbraw/zinc/84/11/85/464841185.db2.gz SKMVZAGLZKRWGV-UHFFFAOYSA-N 1 0 329.360 2.282 20 5 EEBDRO Cc1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000266860170 464849651 /nfs/dbraw/zinc/84/96/51/464849651.db2.gz WJFGXFBFKBZBHW-IYBDPMFKSA-N 1 0 347.463 2.293 20 5 EEBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276331421 464892365 /nfs/dbraw/zinc/89/23/65/464892365.db2.gz RBBMLDWTHPCYJF-AWEZNQCLSA-N 1 0 335.379 2.472 20 5 EEBDRO Nc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176950605 464892767 /nfs/dbraw/zinc/89/27/67/464892767.db2.gz JHQLOMDRZPERFF-ZDUSSCGKSA-N 1 0 332.404 2.171 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355912 464902077 /nfs/dbraw/zinc/90/20/77/464902077.db2.gz VBEXWWWSPJQKRM-RYUDHWBXSA-N 1 0 341.433 2.283 20 5 EEBDRO Cc1nccn1CCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286627702 464984764 /nfs/dbraw/zinc/98/47/64/464984764.db2.gz NABUGQTYNGUHEU-UHFFFAOYSA-N 1 0 345.403 2.374 20 5 EEBDRO CCC[N@H+](CCc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184508219 464986422 /nfs/dbraw/zinc/98/64/22/464986422.db2.gz ODDCEAOMABVMKS-CQSZACIVSA-N 1 0 338.433 2.168 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282880992 464987402 /nfs/dbraw/zinc/98/74/02/464987402.db2.gz VRXWCQKGBXMNEI-GHMZBOCLSA-N 1 0 327.356 2.118 20 5 EEBDRO CC(C)[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000295910878 465003809 /nfs/dbraw/zinc/00/38/09/465003809.db2.gz HLBGZDJPXFMTOR-ZDUSSCGKSA-N 1 0 338.389 2.135 20 5 EEBDRO CC[C@@H]1C[C@@]1([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000337387435 465340095 /nfs/dbraw/zinc/34/00/95/465340095.db2.gz GAUNSEZOWQTWFB-OLMNPRSZSA-N 1 0 344.415 2.376 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593914868 468431804 /nfs/dbraw/zinc/43/18/04/468431804.db2.gz GQWYVBFJDUWSJI-KGLIPLIRSA-N 1 0 334.420 2.007 20 5 EEBDRO CCOc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000356798599 465546753 /nfs/dbraw/zinc/54/67/53/465546753.db2.gz WHAKIOGOUGXRON-DZGCQCFKSA-N 1 0 325.434 2.475 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299225282 465653337 /nfs/dbraw/zinc/65/33/37/465653337.db2.gz ABCUTTGYUXFSNL-SNVBAGLBSA-N 1 0 344.318 2.412 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000299241492 465661742 /nfs/dbraw/zinc/66/17/42/465661742.db2.gz XDBBIMOHHFUBLB-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000356975625 465671858 /nfs/dbraw/zinc/67/18/58/465671858.db2.gz BHZMMZDPADIIAZ-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356980241 465675436 /nfs/dbraw/zinc/67/54/36/465675436.db2.gz OTWVWEMDIPWESO-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000330501715 465683227 /nfs/dbraw/zinc/68/32/27/465683227.db2.gz AVBXTSJWYMJGAH-NSHDSACASA-N 1 0 344.209 2.393 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000338088345 465810973 /nfs/dbraw/zinc/81/09/73/465810973.db2.gz IHDUKWJNEFLGLE-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000362559372 465830346 /nfs/dbraw/zinc/83/03/46/465830346.db2.gz DKUGZSDPIPIVIR-CYBMUJFWSA-N 1 0 345.403 3.035 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331012429 465896281 /nfs/dbraw/zinc/89/62/81/465896281.db2.gz WITUFMZAWQKUPA-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000301094378 465899450 /nfs/dbraw/zinc/89/94/50/465899450.db2.gz OJHVZZQQFNWXPL-UHFFFAOYSA-N 1 0 326.353 2.056 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000301114813 465905543 /nfs/dbraw/zinc/90/55/43/465905543.db2.gz PDMKUSHVMJWOIS-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591360536 468460009 /nfs/dbraw/zinc/46/00/09/468460009.db2.gz GGYQSZYBOLVTCI-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO Cc1c(Br)c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000362661230 465919372 /nfs/dbraw/zinc/91/93/72/465919372.db2.gz CUGUTDWRSFBDAM-NXEZZACHSA-N 1 0 341.209 2.059 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000301456620 465966804 /nfs/dbraw/zinc/96/68/04/465966804.db2.gz MYVOIOHQRAYHHE-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287602 465985904 /nfs/dbraw/zinc/98/59/04/465985904.db2.gz BRXGYOFJXQEQOX-NWDGAFQWSA-N 1 0 337.376 2.019 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC000366908197 466009496 /nfs/dbraw/zinc/00/94/96/466009496.db2.gz CRLANCWKUASBPT-WBVHZDCISA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548747532 468465891 /nfs/dbraw/zinc/46/58/91/468465891.db2.gz KEVBDUUKVOYADS-CYBMUJFWSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229215 466011336 /nfs/dbraw/zinc/01/13/36/466011336.db2.gz RROIBABDPILOCV-VBQJREDUSA-N 1 0 331.416 2.326 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000353759718 466126170 /nfs/dbraw/zinc/12/61/70/466126170.db2.gz PTTVFUUXWKGGQB-LBPRGKRZSA-N 1 0 345.355 2.392 20 5 EEBDRO Cn1cccc1C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000363453468 466413279 /nfs/dbraw/zinc/41/32/79/466413279.db2.gz XVXJKQBQCDPKAA-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332344209 466518344 /nfs/dbraw/zinc/51/83/44/466518344.db2.gz XRPBOIKTPJEOSX-BFQNTYOBSA-N 1 0 336.388 2.443 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000591678526 468501328 /nfs/dbraw/zinc/50/13/28/468501328.db2.gz WNYDTIYBQJNSPA-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO COC(=O)[C@@H](O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368497 466593885 /nfs/dbraw/zinc/59/38/85/466593885.db2.gz YHKUJRQKVJTBMC-RTGRKSDTSA-N 1 0 348.399 2.244 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000423924452 466913943 /nfs/dbraw/zinc/91/39/43/466913943.db2.gz ABBGCGJJDLTQFL-JKSUJKDBSA-N 1 0 325.368 2.389 20 5 EEBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000411979128 466955219 /nfs/dbraw/zinc/95/52/19/466955219.db2.gz CKQLMHZFTGMUCU-AWEZNQCLSA-N 1 0 329.404 2.035 20 5 EEBDRO [NH3+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000424045434 466962423 /nfs/dbraw/zinc/96/24/23/466962423.db2.gz QCMUXYFVPAQJJR-UHFFFAOYSA-N 1 0 343.427 2.407 20 5 EEBDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000424292359 467023717 /nfs/dbraw/zinc/02/37/17/467023717.db2.gz GPTIQYHDAPKRDQ-HNNXBMFYSA-N 1 0 326.418 2.387 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)CCCCC1 ZINC000424339720 467031737 /nfs/dbraw/zinc/03/17/37/467031737.db2.gz DRUDKFYNBOLZAE-UHFFFAOYSA-N 1 0 332.316 2.492 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418094870 467043131 /nfs/dbraw/zinc/04/31/31/467043131.db2.gz VAOACDAKEBYSCV-VIFPVBQESA-N 1 0 346.309 2.104 20 5 EEBDRO COc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000418139771 467057776 /nfs/dbraw/zinc/05/77/76/467057776.db2.gz WBXWJIKRSQOOPY-UHFFFAOYSA-N 1 0 338.404 2.261 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233291 467081471 /nfs/dbraw/zinc/08/14/71/467081471.db2.gz ODUHWXFWLNPYAE-MZGVZZPPSA-N 1 0 332.404 2.425 20 5 EEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418349655 467096341 /nfs/dbraw/zinc/09/63/41/467096341.db2.gz QDKSXZVQQQLXEC-ZDUSSCGKSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418368491 467100367 /nfs/dbraw/zinc/10/03/67/467100367.db2.gz MRHKAAWNEWBKCU-LSDHHAIUSA-N 1 0 332.404 2.236 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000377890102 467160294 /nfs/dbraw/zinc/16/02/94/467160294.db2.gz RVKSQPVQMIAFQR-GFCCVEGCSA-N 1 0 346.387 2.335 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000428879836 467277902 /nfs/dbraw/zinc/27/79/02/467277902.db2.gz DWEIZMKAKRQYNJ-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(CC[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429228096 467314181 /nfs/dbraw/zinc/31/41/81/467314181.db2.gz QRWYVCBPORQKOF-CQSZACIVSA-N 1 0 341.367 2.386 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420259914 467331890 /nfs/dbraw/zinc/33/18/90/467331890.db2.gz NAAHKGHCPJGAJB-TXEJJXNPSA-N 1 0 331.376 2.822 20 5 EEBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294672 467341985 /nfs/dbraw/zinc/34/19/85/467341985.db2.gz UFLSTFBTTSMVHV-MNOVXSKESA-N 1 0 338.795 2.013 20 5 EEBDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429579314 467349322 /nfs/dbraw/zinc/34/93/22/467349322.db2.gz LLSGKMKBHLTPLJ-GHMZBOCLSA-N 1 0 335.360 2.382 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000420403594 467396052 /nfs/dbraw/zinc/39/60/52/467396052.db2.gz LNBXETOGMPARHD-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581050 467428387 /nfs/dbraw/zinc/42/83/87/467428387.db2.gz GNESQZUYBLGGTG-FRRDWIJNSA-N 1 0 334.420 2.472 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430584213 467445465 /nfs/dbraw/zinc/44/54/65/467445465.db2.gz ONUPGIVNQZYFQV-KGLIPLIRSA-N 1 0 332.404 2.058 20 5 EEBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[NH2+]1 ZINC000430921680 467475601 /nfs/dbraw/zinc/47/56/01/467475601.db2.gz UVGGTAPLJYHPNN-BETUJISGSA-N 1 0 330.388 2.475 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000415129571 467497323 /nfs/dbraw/zinc/49/73/23/467497323.db2.gz VCDFQHIIQKOTMM-KBPBESRZSA-N 1 0 325.434 2.375 20 5 EEBDRO COc1cccc(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000436016733 467509132 /nfs/dbraw/zinc/50/91/32/467509132.db2.gz MAARTYYTBGZMLN-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436404799 467534552 /nfs/dbraw/zinc/53/45/52/467534552.db2.gz NTEMVLIWRGJLSQ-UHFFFAOYSA-N 1 0 334.420 2.110 20 5 EEBDRO C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[NH+]1CCCC1 ZINC000443434736 467579799 /nfs/dbraw/zinc/57/97/99/467579799.db2.gz FISXOPFAWWDGRE-GFCCVEGCSA-N 1 0 331.376 2.789 20 5 EEBDRO COC(=O)COc1ccc(C[NH+]2CCC(CF)CC2)cc1[N+](=O)[O-] ZINC000449456609 467648132 /nfs/dbraw/zinc/64/81/32/467648132.db2.gz MMLDRJJETKTRFD-UHFFFAOYSA-N 1 0 340.351 2.328 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449702087 467694478 /nfs/dbraw/zinc/69/44/78/467694478.db2.gz UEEVXEMKTXVUOU-OAHLLOKOSA-N 1 0 332.404 2.287 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449714896 467697761 /nfs/dbraw/zinc/69/77/61/467697761.db2.gz AKLQMBKFXDODCN-JQWIXIFHSA-N 1 0 341.795 2.261 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000449939120 467747742 /nfs/dbraw/zinc/74/77/42/467747742.db2.gz IDRHNMQJOXTJTD-OCCSQVGLSA-N 1 0 333.388 2.157 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000457110081 467755843 /nfs/dbraw/zinc/75/58/43/467755843.db2.gz HRGBJWRAHHUMDX-AWEZNQCLSA-N 1 0 334.420 2.338 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000493150475 467850568 /nfs/dbraw/zinc/85/05/68/467850568.db2.gz JLWVEPVZRZFXGJ-DUXPYHPUSA-N 1 0 333.363 2.349 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC[N@@H+]1C ZINC000450789396 467908484 /nfs/dbraw/zinc/90/84/84/467908484.db2.gz GJXWYVOOLJNDDC-SMDDNHRTSA-N 1 0 343.387 2.197 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637914 467944212 /nfs/dbraw/zinc/94/42/12/467944212.db2.gz WCUVSNHMIQXWQO-UOVKNHIHSA-N 1 0 333.388 2.325 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494251066 468039987 /nfs/dbraw/zinc/03/99/87/468039987.db2.gz NKQUAWAQJVUULK-MMPTUQATSA-N 1 0 337.376 2.088 20 5 EEBDRO CC(C)[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000487968635 468063603 /nfs/dbraw/zinc/06/36/03/468063603.db2.gz GGKXETGYFKUCDK-HNNXBMFYSA-N 1 0 345.403 2.417 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518747444 468125226 /nfs/dbraw/zinc/12/52/26/468125226.db2.gz OVDVGLKIFINHLL-GFCCVEGCSA-N 1 0 349.387 2.318 20 5 EEBDRO C[N@H+](CCn1cnc2sc([N+](=O)[O-])cc2c1=O)Cc1ccccc1 ZINC000519716378 468199618 /nfs/dbraw/zinc/19/96/18/468199618.db2.gz YHXUQMOKBGCMJT-UHFFFAOYSA-N 1 0 344.396 2.498 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000590080214 468212537 /nfs/dbraw/zinc/21/25/37/468212537.db2.gz ZWAVGPCUFZYODS-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000534293679 468245522 /nfs/dbraw/zinc/24/55/22/468245522.db2.gz YKPOLIZRCCPREL-QWHCGFSZSA-N 1 0 335.404 2.087 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594201014 468510859 /nfs/dbraw/zinc/51/08/59/468510859.db2.gz MOTKSTSFMQSKMI-GOEBONIOSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000591727651 468510840 /nfs/dbraw/zinc/51/08/40/468510840.db2.gz NFKJKNTZEAZZQB-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000594504390 468611391 /nfs/dbraw/zinc/61/13/91/468611391.db2.gz MJGQSIXWHHXCBQ-CVEARBPZSA-N 1 0 342.399 2.438 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628779 468639357 /nfs/dbraw/zinc/63/93/57/468639357.db2.gz KHNNNVPWJYSURS-UHFFFAOYSA-N 1 0 333.388 2.108 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597700541 468644236 /nfs/dbraw/zinc/64/42/36/468644236.db2.gz NFCHUGAWSIDYII-WFASDCNBSA-N 1 0 330.388 2.101 20 5 EEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597710127 468647084 /nfs/dbraw/zinc/64/70/84/468647084.db2.gz HIYSEPOYVVQDIL-QGZVFWFLSA-N 1 0 335.379 2.221 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592332547 468679168 /nfs/dbraw/zinc/67/91/68/468679168.db2.gz KISUCGNATPHTAW-QMTHXVAHSA-N 1 0 344.371 2.048 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592484413 468708598 /nfs/dbraw/zinc/70/85/98/468708598.db2.gz BIQJWLPKOJGWQO-OAHLLOKOSA-N 1 0 334.420 2.162 20 5 EEBDRO COCc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000558752017 468713493 /nfs/dbraw/zinc/71/34/93/468713493.db2.gz BCFIEJFOCYUWFU-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO Cc1c(Br)cncc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594931675 468725133 /nfs/dbraw/zinc/72/51/33/468725133.db2.gz QWDVVUTWYFWDTF-UHFFFAOYSA-N 1 0 340.181 2.047 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000595007744 468742410 /nfs/dbraw/zinc/74/24/10/468742410.db2.gz JNDOURIGYFLRCQ-KBPBESRZSA-N 1 0 337.420 2.222 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000595041352 468747949 /nfs/dbraw/zinc/74/79/49/468747949.db2.gz KLFFUSKTASNWMX-HIFRSBDPSA-N 1 0 337.420 2.101 20 5 EEBDRO C[C@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595052460 468749320 /nfs/dbraw/zinc/74/93/20/468749320.db2.gz XJOSSNVAQHHQLX-SECBINFHSA-N 1 0 329.282 2.383 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000559637751 468750435 /nfs/dbraw/zinc/75/04/35/468750435.db2.gz ZQWPJBICYRGOBM-NVXWUHKLSA-N 1 0 343.383 2.219 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000559716887 468753566 /nfs/dbraw/zinc/75/35/66/468753566.db2.gz SRNJSULUYZWLDD-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000593189342 468899330 /nfs/dbraw/zinc/89/93/30/468899330.db2.gz MCFQNRFSYHHKDQ-KGYLQXTDSA-N 1 0 335.404 2.465 20 5 EEBDRO COc1ccc(CC(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593189256 468899370 /nfs/dbraw/zinc/89/93/70/468899370.db2.gz ZHNJKQOQJIACDH-AGIUHOORSA-N 1 0 335.404 2.085 20 5 EEBDRO Cc1cc(OCC(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593189631 468899973 /nfs/dbraw/zinc/89/99/73/468899973.db2.gz WIDGPJAWPMUYFS-MCIONIFRSA-N 1 0 335.404 2.222 20 5 EEBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000601621545 468940334 /nfs/dbraw/zinc/94/03/34/468940334.db2.gz NXTMDXKXLUNHMH-UHFFFAOYSA-N 1 0 332.360 2.256 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000562529116 468978429 /nfs/dbraw/zinc/97/84/29/468978429.db2.gz PNDCJQRTRFQBON-CYBMUJFWSA-N 1 0 333.388 2.016 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000602644929 468984415 /nfs/dbraw/zinc/98/44/15/468984415.db2.gz PJMJNACIMZTQCG-NEPJUHHUSA-N 1 0 348.321 2.348 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595747807 468984616 /nfs/dbraw/zinc/98/46/16/468984616.db2.gz GUICYSJFDHZATQ-QGZVFWFLSA-N 1 0 343.431 2.040 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCSCC2)CC1 ZINC000602676579 469004641 /nfs/dbraw/zinc/00/46/41/469004641.db2.gz PJWSIBGJNDARDI-UHFFFAOYSA-N 1 0 349.456 2.496 20 5 EEBDRO O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595901277 469072189 /nfs/dbraw/zinc/07/21/89/469072189.db2.gz UQSHDTPBJFDJLO-OAHLLOKOSA-N 1 0 346.431 2.245 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595961115 469098098 /nfs/dbraw/zinc/09/80/98/469098098.db2.gz JFHKJMUCKYHJPV-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969768 469118420 /nfs/dbraw/zinc/11/84/20/469118420.db2.gz SVSIZSNDSKQNSD-PWSUYJOCSA-N 1 0 337.401 2.450 20 5 EEBDRO Nc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000596075958 469142895 /nfs/dbraw/zinc/14/28/95/469142895.db2.gz LGRDTGIMAQOESK-UHFFFAOYSA-N 1 0 341.415 2.691 20 5 EEBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596091142 469150228 /nfs/dbraw/zinc/15/02/28/469150228.db2.gz WEXCREMYDYCEPQ-CYBMUJFWSA-N 1 0 330.388 2.136 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596090499 469151111 /nfs/dbraw/zinc/15/11/11/469151111.db2.gz WKXAAOJGINYJMD-JSGCOSHPSA-N 1 0 327.388 2.819 20 5 EEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596174207 469187186 /nfs/dbraw/zinc/18/71/86/469187186.db2.gz CGNAQYWHEJNZKH-MRXNPFEDSA-N 1 0 332.360 2.076 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195083 469189046 /nfs/dbraw/zinc/18/90/46/469189046.db2.gz BNLIHTHWRNOLMX-UHFFFAOYSA-N 1 0 328.372 2.433 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222678 469197845 /nfs/dbraw/zinc/19/78/45/469197845.db2.gz GDJWELBKXJLVGF-LLVKDONJSA-N 1 0 326.356 2.110 20 5 EEBDRO Cc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596265018 469225921 /nfs/dbraw/zinc/22/59/21/469225921.db2.gz NNUGXNBVNLEBCN-UHFFFAOYSA-N 1 0 325.434 2.296 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602487687 469338322 /nfs/dbraw/zinc/33/83/22/469338322.db2.gz VIPJREDLASZFQG-UHFFFAOYSA-N 1 0 340.177 2.007 20 5 EEBDRO CC(C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCOCC1 ZINC000602508514 469343317 /nfs/dbraw/zinc/34/33/17/469343317.db2.gz UIGRTEAGWIYRCT-HNNXBMFYSA-N 1 0 348.403 2.182 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cscn3)CC2)cn1 ZINC000602555709 469359837 /nfs/dbraw/zinc/35/98/37/469359837.db2.gz NZANBGRPADGDME-UHFFFAOYSA-N 1 0 333.417 2.247 20 5 EEBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000604379729 469474868 /nfs/dbraw/zinc/47/48/68/469474868.db2.gz SKLFCONIXWWGAK-UHFFFAOYSA-N 1 0 348.325 2.081 20 5 EEBDRO CCn1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000616786416 469502275 /nfs/dbraw/zinc/50/22/75/469502275.db2.gz YNVZAKUVRFTWFR-HNNXBMFYSA-N 1 0 333.388 2.288 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868415 469691626 /nfs/dbraw/zinc/69/16/26/469691626.db2.gz XRDYTDBRTMNUKC-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO COc1ccc(CC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000609017421 469888524 /nfs/dbraw/zinc/88/85/24/469888524.db2.gz ZTAFOCCFOSVJFL-UHFFFAOYSA-N 1 0 335.404 2.138 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+](C)Cc1ccccc1 ZINC000609506194 469934945 /nfs/dbraw/zinc/93/49/45/469934945.db2.gz LRYIVMPJIKGOCL-CYBMUJFWSA-N 1 0 330.388 2.184 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609875605 469967273 /nfs/dbraw/zinc/96/72/73/469967273.db2.gz ZMGBOQPAEWFGEK-CYBMUJFWSA-N 1 0 341.795 2.089 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000610111806 469981769 /nfs/dbraw/zinc/98/17/69/469981769.db2.gz FXPRLHXRSUVMSN-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3ccccc3c2)c1 ZINC000610335824 470005155 /nfs/dbraw/zinc/00/51/55/470005155.db2.gz OHTFSGHSAVFCRU-SFHVURJKSA-N 1 0 340.383 2.138 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000173881091 527836688 /nfs/dbraw/zinc/83/66/88/527836688.db2.gz WEWSGIQKTFFGDH-CQSZACIVSA-N 1 0 334.420 2.115 20 5 EEBDRO CC(C)C[N@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266510216 535053780 /nfs/dbraw/zinc/05/37/80/535053780.db2.gz DMZWSGAKEJTCDE-GOSISDBHSA-N 1 0 346.431 2.353 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000264097751 535524818 /nfs/dbraw/zinc/52/48/18/535524818.db2.gz AKGOKAXGWMPKHM-UHFFFAOYSA-N 1 0 337.420 2.334 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266414989 535755322 /nfs/dbraw/zinc/75/53/22/535755322.db2.gz OJHVUAQNPIUHKH-GFCCVEGCSA-N 1 0 330.388 2.490 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451419102 535987188 /nfs/dbraw/zinc/98/71/88/535987188.db2.gz NDXGFZIPFASGCD-GVDBMIGSSA-N 1 0 347.415 2.183 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774480 536809803 /nfs/dbraw/zinc/80/98/03/536809803.db2.gz UGMZUNHPOMHPLI-BYCMXARLSA-N 1 0 333.388 2.469 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000776590528 577463580 /nfs/dbraw/zinc/46/35/80/577463580.db2.gz HEFKPHSKALLHOK-COXVUDFISA-N 1 0 330.388 2.408 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1cnccn1 ZINC000765435641 577501067 /nfs/dbraw/zinc/50/10/67/577501067.db2.gz AJPVXNLUHDNLGS-CHWSQXEVSA-N 1 0 343.387 2.323 20 5 EEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770347231 577594318 /nfs/dbraw/zinc/59/43/18/577594318.db2.gz SWMWJNSFKAYUIJ-UHFFFAOYSA-N 1 0 344.371 2.029 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000758212650 577618711 /nfs/dbraw/zinc/61/87/11/577618711.db2.gz ZQNMSOIUECHKTN-CQSZACIVSA-N 1 0 346.431 2.408 20 5 EEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CC1 ZINC000751225971 577749463 /nfs/dbraw/zinc/74/94/63/577749463.db2.gz YCVCAVIVMSAIHL-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000753962618 577797564 /nfs/dbraw/zinc/79/75/64/577797564.db2.gz FJCSGBHXDRWVLU-CQSZACIVSA-N 1 0 340.449 2.238 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000749799326 577982029 /nfs/dbraw/zinc/98/20/29/577982029.db2.gz LYGRWHNXXRHHRO-CABCVRRESA-N 1 0 343.387 2.169 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000820093299 606808623 /nfs/dbraw/zinc/80/86/23/606808623.db2.gz VLGHASXMEIOLTF-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020765879 675482368 /nfs/dbraw/zinc/48/23/68/675482368.db2.gz HVDHFGJVELKEBI-HAQNSBGRSA-N 1 0 349.416 2.047 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccccc2C(F)(F)F)n1 ZINC000933245906 676525932 /nfs/dbraw/zinc/52/59/32/676525932.db2.gz LPJDGXGEVCWDNU-GFCCVEGCSA-N 1 0 344.293 2.133 20 5 EEBDRO Cc1ccccc1C[N@H+]1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891792303 676833534 /nfs/dbraw/zinc/83/35/34/676833534.db2.gz FWNYVYIWZINFMB-UHFFFAOYSA-N 1 0 329.404 2.349 20 5 EEBDRO CCc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001022991098 678900559 /nfs/dbraw/zinc/90/05/59/678900559.db2.gz XJVAFDPRPBOSLR-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000892345908 679179891 /nfs/dbraw/zinc/17/98/91/679179891.db2.gz UACKTTVUJXTMGX-UHFFFAOYSA-N 1 0 329.404 2.429 20 5 EEBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000235668530 681262396 /nfs/dbraw/zinc/26/23/96/681262396.db2.gz XLGCCYZDZIJCBG-JTQLQIEISA-N 1 0 328.210 2.493 20 5 EEBDRO C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000894333946 682516161 /nfs/dbraw/zinc/51/61/61/682516161.db2.gz WWOLVIASCJRIRM-CYBMUJFWSA-N 1 0 334.420 2.482 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC000984951819 685571043 /nfs/dbraw/zinc/57/10/43/685571043.db2.gz ULUKVVPAKCUPHH-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO Cn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000983460864 682697451 /nfs/dbraw/zinc/69/74/51/682697451.db2.gz FEUIJMDIQUJBLB-KOMQPUFPSA-N 1 0 342.399 2.232 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140075 683552452 /nfs/dbraw/zinc/55/24/52/683552452.db2.gz WZWWMSOWJOUPTP-BRSBDYLESA-N 1 0 339.395 2.242 20 5 EEBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893091314 683726913 /nfs/dbraw/zinc/72/69/13/683726913.db2.gz AAGCNMHCICUWPT-ZFWWWQNUSA-N 1 0 340.445 2.330 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@H+](C)CCN1C ZINC000895249730 684376528 /nfs/dbraw/zinc/37/65/28/684376528.db2.gz XBWUQAOZCWXERS-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CN(C)CCN1C ZINC000895247505 684384463 /nfs/dbraw/zinc/38/44/63/684384463.db2.gz UYWQXVYSERSHCV-ZWNOBZJWSA-N 1 0 335.433 2.251 20 5 EEBDRO C[N@@H+](Cc1ccc(F)cc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964517 688718569 /nfs/dbraw/zinc/71/85/69/688718569.db2.gz MVJUOHXVZPPXCL-IAGOWNOFSA-N 1 0 349.406 2.161 20 5 EEBDRO O=C(N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)C12CCC[NH+]1CCC2 ZINC001059881431 690603141 /nfs/dbraw/zinc/60/31/41/690603141.db2.gz AKMRLKBMYFMHJC-OKILXGFUSA-N 1 0 344.415 2.282 20 5 EEBDRO C[C@@H]1CSCCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000179243171 691073671 /nfs/dbraw/zinc/07/36/71/691073671.db2.gz NYBVCPVKGNZRLV-GFCCVEGCSA-N 1 0 336.417 2.232 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000873101574 1198499908 /nfs/dbraw/zinc/49/99/08/1198499908.db2.gz AUEVUZIVYOXLLM-AWEZNQCLSA-N 1 0 336.388 2.223 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)(F)F)CC1 ZINC001134211760 1199390500 /nfs/dbraw/zinc/39/05/00/1199390500.db2.gz YTBZQZVQVCTPJL-UHFFFAOYSA-N 1 0 331.294 2.143 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000810847704 1199776945 /nfs/dbraw/zinc/77/69/45/1199776945.db2.gz PTQXRBPCCNSZKA-MNOVXSKESA-N 1 0 334.328 2.107 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000877902825 1200155548 /nfs/dbraw/zinc/15/55/48/1200155548.db2.gz WJFVWZNQNLKZJO-UHFFFAOYSA-N 1 0 348.403 2.360 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000826112701 1201144399 /nfs/dbraw/zinc/14/43/99/1201144399.db2.gz KAWSMZVHINWPTF-KRWDZBQOSA-N 1 0 347.415 2.105 20 5 EEBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000866350811 1201498185 /nfs/dbraw/zinc/49/81/85/1201498185.db2.gz CNVABAKUGJCYBX-PJODQICGSA-N 1 0 326.368 2.449 20 5 EEBDRO C[C@]1([NH3+])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000868078743 1201739239 /nfs/dbraw/zinc/73/92/39/1201739239.db2.gz PCLYOWPHCXBFJI-FQEVSTJZSA-N 1 0 335.407 2.104 20 5 EEBDRO CCc1n[nH]c(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000882624991 1201908987 /nfs/dbraw/zinc/90/89/87/1201908987.db2.gz ZCFIECTVEYLSPG-UHFFFAOYSA-N 1 0 337.424 2.218 20 5 EEBDRO CCO[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000885350060 1202407574 /nfs/dbraw/zinc/40/75/74/1202407574.db2.gz VMDJRXLOSKUSQK-ZDUSSCGKSA-N 1 0 330.344 2.032 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000826634135 1204610577 /nfs/dbraw/zinc/61/05/77/1204610577.db2.gz YHIUATCJQWBDQB-BETUJISGSA-N 1 0 345.403 2.083 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000931041309 1206602150 /nfs/dbraw/zinc/60/21/50/1206602150.db2.gz CEUSYCOHKDNXRD-XJKSGUPXSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000778265266 1208021924 /nfs/dbraw/zinc/02/19/24/1208021924.db2.gz VSMAJTFMYDTCFR-LLVKDONJSA-N 1 0 327.331 2.287 20 5 EEBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095957253 1232568593 /nfs/dbraw/zinc/56/85/93/1232568593.db2.gz QQAGBHACVKRGBV-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CC(C)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048640709 1238165116 /nfs/dbraw/zinc/16/51/16/1238165116.db2.gz FZVBJVOPEHXTLN-OKILXGFUSA-N 1 0 335.379 2.233 20 5 EEBDRO O=C(/C=C\C1CC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048734827 1238467147 /nfs/dbraw/zinc/46/71/47/1238467147.db2.gz XQWLKGYXKFSHDD-UGZFAFSNSA-N 1 0 341.411 2.451 20 5 EEBDRO O=C(C(F)F)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050398497 1243509302 /nfs/dbraw/zinc/50/93/02/1243509302.db2.gz RCXCLVIQGXPZHS-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO C[N@H+](CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001057446321 1243801616 /nfs/dbraw/zinc/80/16/16/1243801616.db2.gz KTHGQKPCKFQFQF-UHFFFAOYSA-N 1 0 346.431 2.482 20 5 EEBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001101228873 1245544018 /nfs/dbraw/zinc/54/40/18/1245544018.db2.gz XXXBBGBSLAENOW-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541549 1245944824 /nfs/dbraw/zinc/94/48/24/1245944824.db2.gz KOSCLVZSCKGVOU-HUUCEWRRSA-N 1 0 325.453 2.162 20 5 EEBDRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001068499693 1251179091 /nfs/dbraw/zinc/17/90/91/1251179091.db2.gz MGUVXWNCDGSAME-CTYIDZIISA-N 1 0 346.431 2.243 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC001134754411 1278018974 /nfs/dbraw/zinc/01/89/74/1278018974.db2.gz MIHRMZMKKNSSBZ-UHFFFAOYSA-N 1 0 338.389 2.287 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000858562189 1294154829 /nfs/dbraw/zinc/15/48/29/1294154829.db2.gz ITYHVDNKWULDQP-PJXYFTJBSA-N 1 0 339.779 2.031 20 5 EEBDRO CCOC(=O)c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217979456 1297540075 /nfs/dbraw/zinc/54/00/75/1297540075.db2.gz HIDYWBLWTKDXSG-JSGCOSHPSA-N 1 0 326.324 2.240 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102196800 1300545298 /nfs/dbraw/zinc/54/52/98/1300545298.db2.gz ZWWFBMYEYQAXJS-CALCHBBNSA-N 1 0 346.431 2.115 20 5 EEBDRO CC[NH+]1CCC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227449460 1301833126 /nfs/dbraw/zinc/83/31/26/1301833126.db2.gz RBWAWWBSORWDKM-UHFFFAOYSA-N 1 0 340.379 2.394 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227497835 1301853954 /nfs/dbraw/zinc/85/39/54/1301853954.db2.gz IEBJKMFPMPMQQS-SNVBAGLBSA-N 1 0 340.292 2.273 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001228113375 1302109203 /nfs/dbraw/zinc/10/92/03/1302109203.db2.gz NJUPYXNUMIAKJX-QGZVFWFLSA-N 1 0 342.415 2.280 20 5 EEBDRO O=c1[nH]cnc(OC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001228141349 1302123006 /nfs/dbraw/zinc/12/30/06/1302123006.db2.gz PPQUBHOICKKGGZ-UHFFFAOYSA-N 1 0 344.371 2.176 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229803434 1302950631 /nfs/dbraw/zinc/95/06/31/1302950631.db2.gz PMSACUJCKZPTMS-LLVKDONJSA-N 1 0 327.336 2.440 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769020 1303699643 /nfs/dbraw/zinc/69/96/43/1303699643.db2.gz VURLEUZPHJISFV-PBHICJAKSA-N 1 0 343.431 2.492 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799195849 1305182334 /nfs/dbraw/zinc/18/23/34/1305182334.db2.gz LZMOHKOOVJAHMK-ZBFHGGJFSA-N 1 0 343.383 2.219 20 5 EEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N(CC[NH+]1CCCC1)c1ccccc1 ZINC001118023881 1306247250 /nfs/dbraw/zinc/24/72/50/1306247250.db2.gz VJUHDOQQAIPHDJ-UHFFFAOYSA-N 1 0 329.360 2.061 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1C[NH3+] ZINC001118175843 1306305845 /nfs/dbraw/zinc/30/58/45/1306305845.db2.gz CTCQJUGQKLHHDS-UHFFFAOYSA-N 1 0 349.412 2.094 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000841857412 1315625001 /nfs/dbraw/zinc/62/50/01/1315625001.db2.gz YGAKDIGNBLUQOJ-LLVKDONJSA-N 1 0 326.784 2.190 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857446 1315625156 /nfs/dbraw/zinc/62/51/56/1315625156.db2.gz ZGMSSYQUQGPPTD-LLVKDONJSA-N 1 0 328.800 2.421 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000843094361 1315840321 /nfs/dbraw/zinc/84/03/21/1315840321.db2.gz JHVUIFKDBKQEGF-IEBWSBKVSA-N 1 0 344.411 2.438 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843345759 1315894786 /nfs/dbraw/zinc/89/47/86/1315894786.db2.gz CJPLLJWQDMBSFL-XPTSAGLGSA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000843363040 1315901074 /nfs/dbraw/zinc/90/10/74/1315901074.db2.gz YAHKIOJVTAFGLE-GMTAPVOTSA-N 1 0 340.811 2.244 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000843485301 1315921386 /nfs/dbraw/zinc/92/13/86/1315921386.db2.gz QDWUPMAQXAEKIO-GFCCVEGCSA-N 1 0 336.348 2.073 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1O ZINC001154759082 1317299524 /nfs/dbraw/zinc/29/95/24/1317299524.db2.gz LSJRLRLHGIMOOR-UHFFFAOYSA-N 1 0 335.385 2.272 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001155229465 1317513464 /nfs/dbraw/zinc/51/34/64/1317513464.db2.gz BXHAVHYPPDVBMP-CYBMUJFWSA-N 1 0 338.408 2.150 20 5 EEBDRO COc1ncnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155902556 1317783361 /nfs/dbraw/zinc/78/33/61/1317783361.db2.gz POWCMOBFWINJHQ-UHFFFAOYSA-N 1 0 327.344 2.413 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)C1CC[NH2+]CC1 ZINC001156171555 1317905105 /nfs/dbraw/zinc/90/51/05/1317905105.db2.gz CMVNILZYQHBBQO-UHFFFAOYSA-N 1 0 342.783 2.008 20 5 EEBDRO CN(c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C1CC[NH2+]CC1 ZINC001156180582 1317910320 /nfs/dbraw/zinc/91/03/20/1317910320.db2.gz LVERKDSPZKSVCR-UHFFFAOYSA-N 1 0 331.351 2.379 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)nc1Cl ZINC001156182332 1317910428 /nfs/dbraw/zinc/91/04/28/1317910428.db2.gz QBQCVGQPDZFAFH-UHFFFAOYSA-N 1 0 341.843 2.390 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2C[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001156400364 1317995701 /nfs/dbraw/zinc/99/57/01/1317995701.db2.gz MAZYFAPVDTWLGQ-UHFFFAOYSA-N 1 0 343.343 2.442 20 5 EEBDRO CC(C)[NH+]1CCC(CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001156501615 1318042939 /nfs/dbraw/zinc/04/29/39/1318042939.db2.gz ZDCFQWMTFFGRQU-UHFFFAOYSA-N 1 0 328.800 2.414 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](F)[C@@H](O)CC3)CC2)cc1 ZINC001254474100 1318083064 /nfs/dbraw/zinc/08/30/64/1318083064.db2.gz LSMPZDUVYSHBFS-SJORKVTESA-N 1 0 337.395 2.358 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc(Cl)ncc2[N+](=O)[O-])COC1 ZINC001156632357 1318121880 /nfs/dbraw/zinc/12/18/80/1318121880.db2.gz NKNMFUJLXVXFBC-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572405 1318126604 /nfs/dbraw/zinc/12/66/04/1318126604.db2.gz MQQYKBNUTSUIPT-OAHLLOKOSA-N 1 0 346.408 2.255 20 5 EEBDRO CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605907 1318142897 /nfs/dbraw/zinc/14/28/97/1318142897.db2.gz CLWBTSIPAMCQNY-ZWKOTPCHSA-N 1 0 331.416 2.393 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)c2c1 ZINC001254849511 1318204238 /nfs/dbraw/zinc/20/42/38/1318204238.db2.gz CMJTYOCACKILLN-LBPRGKRZSA-N 1 0 340.343 2.330 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157689067 1318798656 /nfs/dbraw/zinc/79/86/56/1318798656.db2.gz GDGLTHFJXFZAAJ-PHIMTYICSA-N 1 0 325.800 2.125 20 5 EEBDRO [NH3+]CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001157740414 1318828474 /nfs/dbraw/zinc/82/84/74/1318828474.db2.gz UDEWCHYBFXIAAT-SNVBAGLBSA-N 1 0 329.316 2.482 20 5 EEBDRO Cc1ncn(-c2cc([N+](=O)[O-])cc(Cl)n2)c1CSCC[NH3+] ZINC001157961387 1318949415 /nfs/dbraw/zinc/94/94/15/1318949415.db2.gz BYLIUXUBDQLEQT-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO Cc1c[nH+]ccc1N1CCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001158105052 1319016893 /nfs/dbraw/zinc/01/68/93/1319016893.db2.gz UOKBYICPUFMHHF-UHFFFAOYSA-N 1 0 348.794 2.377 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N(c2ccncc2F)C2CC[NH2+]CC2)n1 ZINC001158340371 1319184702 /nfs/dbraw/zinc/18/47/02/1319184702.db2.gz URKQGDXZFOYRHD-UHFFFAOYSA-N 1 0 332.339 2.117 20 5 EEBDRO COc1cc2ncnc(NCC34CC[NH+](CC3)CC4)c2cc1[N+](=O)[O-] ZINC001158826511 1319454798 /nfs/dbraw/zinc/45/47/98/1319454798.db2.gz CTSJTMYCWHQGNE-UHFFFAOYSA-N 1 0 343.387 2.444 20 5 EEBDRO Nc1nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)ccc1[N+](=O)[O-] ZINC001159032024 1319569763 /nfs/dbraw/zinc/56/97/63/1319569763.db2.gz QNDNSJAWINCVJI-UHFFFAOYSA-N 1 0 325.372 2.171 20 5 EEBDRO COc1nc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001159943153 1320029019 /nfs/dbraw/zinc/02/90/19/1320029019.db2.gz LHEKVJVEKAXYRN-SNVBAGLBSA-N 1 0 339.355 2.153 20 5 EEBDRO COc1cnc(NCc2ccccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160110295 1320072142 /nfs/dbraw/zinc/07/21/42/1320072142.db2.gz XLPQGIWJECRRCL-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO O=C(COCC1CCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001160143892 1320083850 /nfs/dbraw/zinc/08/38/50/1320083850.db2.gz XRKHMDZWRBZCQH-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc(C[NH3+])c3c2cccc3OC)n1 ZINC001160763603 1320261034 /nfs/dbraw/zinc/26/10/34/1320261034.db2.gz IELKZGXPIJMFMA-UHFFFAOYSA-N 1 0 343.343 2.113 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH3+] ZINC001160907414 1320311665 /nfs/dbraw/zinc/31/16/65/1320311665.db2.gz PVXJRJKIFBCNBO-UHFFFAOYSA-N 1 0 330.344 2.237 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC([NH3+])(CC3CCC3)CC2)n1 ZINC001161571305 1320542827 /nfs/dbraw/zinc/54/28/27/1320542827.db2.gz GCBUZYAHWTTWFM-UHFFFAOYSA-N 1 0 335.408 2.190 20 5 EEBDRO O=[N+]([O-])c1cc(NCc2nnn3c2C[NH2+]CCC3)cc2ccccc21 ZINC001162977628 1321003344 /nfs/dbraw/zinc/00/33/44/1321003344.db2.gz GAFXLVLJWWYESG-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO COc1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc1[N+](=O)[O-] ZINC001163049773 1321023293 /nfs/dbraw/zinc/02/32/93/1321023293.db2.gz LDIKQKAGTIYTSO-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO COc1ncc([N+](=O)[O-])cc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061359 1321026481 /nfs/dbraw/zinc/02/64/81/1321026481.db2.gz TZBILPWTHRHVDG-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163069925 1321028106 /nfs/dbraw/zinc/02/81/06/1321028106.db2.gz RYNHSEXLUSLCIC-MRXNPFEDSA-N 1 0 340.383 2.447 20 5 EEBDRO O=[N+]([O-])c1c(NCC[C@H]2CCOC23C[NH2+]C3)ccc2ncccc21 ZINC001163093794 1321033705 /nfs/dbraw/zinc/03/37/05/1321033705.db2.gz CZRWUDFODGDIAG-LBPRGKRZSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163162855 1321054803 /nfs/dbraw/zinc/05/48/03/1321054803.db2.gz FUISAZIRIPUFPB-SIVJFFJCSA-N 1 0 346.362 2.319 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163269381 1321082713 /nfs/dbraw/zinc/08/27/13/1321082713.db2.gz JVQRQIXDDCUTNH-BZNIZROVSA-N 1 0 331.376 2.042 20 5 EEBDRO COc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001163282590 1321087024 /nfs/dbraw/zinc/08/70/24/1321087024.db2.gz AIIHCOJFAQJCLP-SUMWQHHRSA-N 1 0 335.404 2.482 20 5 EEBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001163461002 1321131137 /nfs/dbraw/zinc/13/11/37/1321131137.db2.gz ARUKRAULXMPQJG-CYBMUJFWSA-N 1 0 334.307 2.027 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)n2cnc3c2C[NH2+]CC3)nc1Cl ZINC001164313583 1321347580 /nfs/dbraw/zinc/34/75/80/1321347580.db2.gz LSSMFIUJFSOTTM-UHFFFAOYSA-N 1 0 329.694 2.083 20 5 EEBDRO C[NH+]1CCC(C2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001165065498 1321449554 /nfs/dbraw/zinc/44/95/54/1321449554.db2.gz JAOXWDSOKVVLPP-UHFFFAOYSA-N 1 0 349.391 2.456 20 5 EEBDRO COCCC[NH+]1CCN(c2nc(C)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165098007 1321454438 /nfs/dbraw/zinc/45/44/38/1321454438.db2.gz QZVSDITWVCQGJJ-UHFFFAOYSA-N 1 0 328.800 2.110 20 5 EEBDRO C[NH+]1C[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC001165151290 1321466187 /nfs/dbraw/zinc/46/61/87/1321466187.db2.gz QNUMONLUCIAQQD-CHWSQXEVSA-N 1 0 343.362 2.189 20 5 EEBDRO [NH3+]CC1(F)CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001165261877 1321485715 /nfs/dbraw/zinc/48/57/15/1321485715.db2.gz DYJWGHSVFCCYSP-UHFFFAOYSA-N 1 0 339.758 2.459 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)[nH]1 ZINC001166151011 1321664611 /nfs/dbraw/zinc/66/46/11/1321664611.db2.gz MRNMKBIRXIXZNN-UHFFFAOYSA-N 1 0 336.779 2.486 20 5 EEBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)F ZINC001166231111 1321683624 /nfs/dbraw/zinc/68/36/24/1321683624.db2.gz VKFHUKQIJXPGEX-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO Cc1ncccc1CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001166585844 1321745134 /nfs/dbraw/zinc/74/51/34/1321745134.db2.gz PGQGYXKHYLWCJP-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001166701561 1321769741 /nfs/dbraw/zinc/76/97/41/1321769741.db2.gz QSQJGIDTLLQPIP-CYBMUJFWSA-N 1 0 336.355 2.233 20 5 EEBDRO COc1cc(Nc2ccc([N+](=O)[O-])nc2)ccc1N1CC[NH+](C)CC1 ZINC001203585073 1321916781 /nfs/dbraw/zinc/91/67/81/1321916781.db2.gz OFLURSFBINBSOB-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC001308409253 1331589619 /nfs/dbraw/zinc/58/96/19/1331589619.db2.gz XSEGFJCQZAEJQJ-SUMWQHHRSA-N 1 0 346.387 2.347 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001319946712 1332800524 /nfs/dbraw/zinc/80/05/24/1332800524.db2.gz FBRYQZXXQXEELJ-CYBMUJFWSA-N 1 0 347.415 2.484 20 5 EEBDRO CC(C)C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC001322870043 1333345589 /nfs/dbraw/zinc/34/55/89/1333345589.db2.gz WBSMYHOBSXNEEP-GFCCVEGCSA-N 1 0 341.383 2.205 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609227041 1351901667 /nfs/dbraw/zinc/90/16/67/1351901667.db2.gz AMZVCNVDHCHFPD-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001328221512 1334418233 /nfs/dbraw/zinc/41/82/33/1334418233.db2.gz SHAKNBNEPLWYDN-VIFPVBQESA-N 1 0 327.406 2.053 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001335569859 1336396184 /nfs/dbraw/zinc/39/61/84/1336396184.db2.gz WZVJFFMYTORVMF-FAAHXZRKSA-N 1 0 332.404 2.343 20 5 EEBDRO CC[C@@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+]1CCCC1 ZINC001336968632 1336624070 /nfs/dbraw/zinc/62/40/70/1336624070.db2.gz DOPBNNIWKXICEA-LBPRGKRZSA-N 1 0 347.419 2.072 20 5 EEBDRO COc1ccccc1C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC001337215503 1336664977 /nfs/dbraw/zinc/66/49/77/1336664977.db2.gz ZYTDPXSIFWDNJD-UHFFFAOYSA-N 1 0 343.383 2.434 20 5 EEBDRO C[NH+]1CCN(c2ccc(CCNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC001338444726 1336862183 /nfs/dbraw/zinc/86/21/83/1336862183.db2.gz GSKYPLMFBDRPML-UHFFFAOYSA-N 1 0 341.415 2.396 20 5 EEBDRO [NH3+]CC[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001341526555 1337294672 /nfs/dbraw/zinc/29/46/72/1337294672.db2.gz REMLRHVJWLKMDV-CYBMUJFWSA-N 1 0 341.367 2.453 20 5 EEBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848533256 1338715701 /nfs/dbraw/zinc/71/57/01/1338715701.db2.gz GCNAXGMVTDBAHU-CYBMUJFWSA-N 1 0 326.418 2.385 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001576911028 1344074885 /nfs/dbraw/zinc/07/48/85/1344074885.db2.gz WSQHSPOPANAWEE-RNCFNFMXSA-N 1 0 334.376 2.004 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1F ZINC001579642414 1344402472 /nfs/dbraw/zinc/40/24/72/1344402472.db2.gz FACQPBAEVNOCFK-DTWKUNHWSA-N 1 0 343.330 2.024 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001580257891 1344501859 /nfs/dbraw/zinc/50/18/59/1344501859.db2.gz AHRIEFOKCNGHDJ-RKDXNWHRSA-N 1 0 329.303 2.053 20 5 EEBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001580402413 1344517730 /nfs/dbraw/zinc/51/77/30/1344517730.db2.gz XGIOGWIBZQPPIU-CQJJVWNLSA-N 1 0 333.413 2.296 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589134368 1348963002 /nfs/dbraw/zinc/96/30/02/1348963002.db2.gz CDRRMYYKRGRJQQ-JTQLQIEISA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589456235 1348991606 /nfs/dbraw/zinc/99/16/06/1348991606.db2.gz CXPQLMDSTCIXIZ-AWEZNQCLSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590259682 1349235267 /nfs/dbraw/zinc/23/52/67/1349235267.db2.gz LWXMNDAFVBQVST-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001590272697 1349242715 /nfs/dbraw/zinc/24/27/15/1349242715.db2.gz XOBWUSQTPWOCDM-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001593471997 1349807243 /nfs/dbraw/zinc/80/72/43/1349807243.db2.gz XIJGWTKVRBOFGU-ZDUSSCGKSA-N 1 0 343.391 2.204 20 5 EEBDRO CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001604038056 1350835378 /nfs/dbraw/zinc/83/53/78/1350835378.db2.gz URPYOYKQYXDQEZ-GFCCVEGCSA-N 1 0 345.407 2.370 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000702408382 1367126871 /nfs/dbraw/zinc/12/68/71/1367126871.db2.gz IWKGWVYNZJBQOB-INIZCTEOSA-N 1 0 342.399 2.301 20 5 EEBDRO COc1cc(C)sc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134752127 1367777211 /nfs/dbraw/zinc/77/72/11/1367777211.db2.gz XIOADCDTTDPJCX-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO CCc1nc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001135234050 1368061991 /nfs/dbraw/zinc/06/19/91/1368061991.db2.gz VGLBPWRJWMNGJJ-UHFFFAOYSA-N 1 0 348.428 2.442 20 5 EEBDRO O=C(CC[NH2+]CC1SCCS1)Nc1ccccc1[N+](=O)[O-] ZINC000853120108 1369320859 /nfs/dbraw/zinc/32/08/59/1369320859.db2.gz RINNZMAQHPRGEI-UHFFFAOYSA-N 1 0 327.431 2.319 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881377 1403615120 /nfs/dbraw/zinc/61/51/20/1403615120.db2.gz UDSPJIYNQLPVEO-OUAUKWLOSA-N 1 0 327.331 2.284 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580609136 1403863121 /nfs/dbraw/zinc/86/31/21/1403863121.db2.gz KFNBVLIFZMXADV-SDDRHHMPSA-N 1 0 328.372 2.194 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167206586 757498981 /nfs/dbraw/zinc/49/89/81/757498981.db2.gz ZJYVKTXSTJJUMK-DYVFJYSZSA-N 1 0 328.347 2.106 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001100546913 760001211 /nfs/dbraw/zinc/00/12/11/760001211.db2.gz XVOLWUQNODAMPJ-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO Cc1cc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC001104424934 760689909 /nfs/dbraw/zinc/68/99/09/760689909.db2.gz GRGYERQXXXOERX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000921434973 773370400 /nfs/dbraw/zinc/37/04/00/773370400.db2.gz SAWINLYTUKPPDE-HWWQOWPSSA-N 1 0 332.404 2.438 20 5 EEBDRO CCCc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981136844 776582059 /nfs/dbraw/zinc/58/20/59/776582059.db2.gz IPYUMDATPUJCRF-QZTJIDSGSA-N 1 0 345.443 2.339 20 5 EEBDRO CC(C)(C)c1nc[nH]c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127659594 777795765 /nfs/dbraw/zinc/79/57/65/777795765.db2.gz HEXJVWMWSBHDJE-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000893702857 779420321 /nfs/dbraw/zinc/42/03/21/779420321.db2.gz IKVYYOWLHOZJKQ-SNVBAGLBSA-N 1 0 338.282 2.054 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846944320 790763501 /nfs/dbraw/zinc/76/35/01/790763501.db2.gz VJIBPSOCDNGUOD-SFHVURJKSA-N 1 0 344.415 2.087 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954333 790772924 /nfs/dbraw/zinc/77/29/24/790772924.db2.gz FGIBZKXROSXYFM-CKLFPEKLSA-N 1 0 341.795 2.324 20 5 EEBDRO COC(=O)[C@]12C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000847016793 790835402 /nfs/dbraw/zinc/83/54/02/790835402.db2.gz FUGWXPBHWIRAPA-QGPMSJSTSA-N 1 0 348.399 2.293 20 5 EEBDRO [NH3+]CCN(Cc1ccc(-n2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735250 783318802 /nfs/dbraw/zinc/31/88/02/783318802.db2.gz XORAVGKOEFAAPN-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906711818 784094165 /nfs/dbraw/zinc/09/41/65/784094165.db2.gz SGZPRSXELGCFCF-JTQLQIEISA-N 1 0 340.811 2.244 20 5 EEBDRO O=C(c1ncc[nH]1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997762395 791016984 /nfs/dbraw/zinc/01/69/84/791016984.db2.gz UDUYZPWEHSWAOB-UHFFFAOYSA-N 1 0 349.416 2.021 20 5 EEBDRO CCc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000997773524 791046942 /nfs/dbraw/zinc/04/69/42/791046942.db2.gz VYBTYOUZSMSRMI-QZTJIDSGSA-N 1 0 345.443 2.242 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170873989 784872007 /nfs/dbraw/zinc/87/20/07/784872007.db2.gz OHYRISNGPKAYAR-VXGBXAGGSA-N 1 0 347.293 2.177 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015164 785174861 /nfs/dbraw/zinc/17/48/61/785174861.db2.gz KCYPXYUMPJWLIC-GOSISDBHSA-N 1 0 344.415 2.163 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819164891 785440562 /nfs/dbraw/zinc/44/05/62/785440562.db2.gz XFESPWKTPMOUPG-RDJZCZTQSA-N 1 0 347.415 2.009 20 5 EEBDRO COCC[C@@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819221700 785477251 /nfs/dbraw/zinc/47/72/51/785477251.db2.gz MNZMVIIWVVHUTB-YOEHRIQHSA-N 1 0 334.372 2.459 20 5 EEBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000819339783 785514442 /nfs/dbraw/zinc/51/44/42/785514442.db2.gz PKMSQXGNRNJISL-ROUUACIJSA-N 1 0 330.384 2.476 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908573905 785539547 /nfs/dbraw/zinc/53/95/47/785539547.db2.gz VNBKELFOHZVNAY-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001109547884 805650850 /nfs/dbraw/zinc/65/08/50/805650850.db2.gz ZVVCDYSDHAYCEF-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000820673968 786013463 /nfs/dbraw/zinc/01/34/63/786013463.db2.gz OORCICDENXTMGM-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001107391984 787105697 /nfs/dbraw/zinc/10/56/97/787105697.db2.gz QVLNWFIHFANPNW-FPLPWBNLSA-N 1 0 349.435 2.113 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790803 787380597 /nfs/dbraw/zinc/38/05/97/787380597.db2.gz LUWGBAJXBADDJF-VXGBXAGGSA-N 1 0 331.376 2.488 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000823088296 787561147 /nfs/dbraw/zinc/56/11/47/787561147.db2.gz JOCGSYPLHMIUNS-BLLLJJGKSA-N 1 0 330.344 2.044 20 5 EEBDRO CC(C)(C)c1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000823310546 787666954 /nfs/dbraw/zinc/66/69/54/787666954.db2.gz ZHKKBVXSQZZTNV-UHFFFAOYSA-N 1 0 331.376 2.352 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1Cl ZINC000824565479 788216815 /nfs/dbraw/zinc/21/68/15/788216815.db2.gz WTRAXPUDLCNBGV-ZDUSSCGKSA-N 1 0 327.812 2.185 20 5 EEBDRO COc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913289718 788766525 /nfs/dbraw/zinc/76/65/25/788766525.db2.gz VPNPZPYLNIOVAQ-IAGOWNOFSA-N 1 0 333.388 2.017 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000923292905 789324176 /nfs/dbraw/zinc/32/41/76/789324176.db2.gz ZROVCTAPQOWTQI-GXTWGEPZSA-N 1 0 337.807 2.486 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000845938632 790001373 /nfs/dbraw/zinc/00/13/73/790001373.db2.gz XKYFLXLCVIZTDR-RTBURBONSA-N 1 0 342.395 2.268 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913678459 794084274 /nfs/dbraw/zinc/08/42/74/794084274.db2.gz JLCQFHHHEKWHPH-UHFFFAOYSA-N 1 0 349.431 2.049 20 5 EEBDRO CC(=O)Nc1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171394280 794593059 /nfs/dbraw/zinc/59/30/59/794593059.db2.gz PPGPFXJVSGWIFP-CYBMUJFWSA-N 1 0 342.355 2.411 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001093166713 794799156 /nfs/dbraw/zinc/79/91/56/794799156.db2.gz YOOUWYRVJSVRIN-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC(C)[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000915208569 795736742 /nfs/dbraw/zinc/73/67/42/795736742.db2.gz GKWPEMZBJXNZDT-SJCJKPOMSA-N 1 0 348.403 2.296 20 5 EEBDRO Cc1cc(NCCNC(=O)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001093873922 795754635 /nfs/dbraw/zinc/75/46/35/795754635.db2.gz GJTWELZTYUUTHC-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO O=C(CC[NH+]1CCCCC1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094455419 796265031 /nfs/dbraw/zinc/26/50/31/796265031.db2.gz QVVCLNNRWYPAFT-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CN(C(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CC1 ZINC001172895777 797147187 /nfs/dbraw/zinc/14/71/87/797147187.db2.gz IWJVGECQTGWDLI-HNNXBMFYSA-N 1 0 331.416 2.443 20 5 EEBDRO CC(C)(CO)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007513 797194892 /nfs/dbraw/zinc/19/48/92/797194892.db2.gz RZMGZWJOMJYCIH-UHFFFAOYSA-N 1 0 343.374 2.450 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCOC[C@@H]2F)c1F ZINC001173177358 797277064 /nfs/dbraw/zinc/27/70/64/797277064.db2.gz AZWQQSIRDGJJBL-USWWRNFRSA-N 1 0 330.331 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CN(C(C)C)C2)c1F ZINC001173181197 797279456 /nfs/dbraw/zinc/27/94/56/797279456.db2.gz BLLPRFWZVDEQGF-LLVKDONJSA-N 1 0 325.384 2.356 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001173214298 797316361 /nfs/dbraw/zinc/31/63/61/797316361.db2.gz AJVKXMKHBUBYBY-ZDUSSCGKSA-N 1 0 340.445 2.330 20 5 EEBDRO CCn1cccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001176194841 798372120 /nfs/dbraw/zinc/37/21/20/798372120.db2.gz RZPFWMAFQZAPRU-UHFFFAOYSA-N 1 0 336.417 2.387 20 5 EEBDRO CCn1cccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176195315 798372230 /nfs/dbraw/zinc/37/22/30/798372230.db2.gz ZPRQYQPCGUJAOC-UHFFFAOYSA-N 1 0 330.388 2.326 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccsn1 ZINC001003116433 799247492 /nfs/dbraw/zinc/24/74/92/799247492.db2.gz JEAWNYLBJBYTGB-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1ncn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168790860 803340804 /nfs/dbraw/zinc/34/08/04/803340804.db2.gz XABVAWSGXKTRIV-UHFFFAOYSA-N 1 0 332.389 2.157 20 5 EEBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])cc(Br)n1 ZINC001168837334 803463378 /nfs/dbraw/zinc/46/33/78/803463378.db2.gz ZHNXAASFLDACGO-UHFFFAOYSA-N 1 0 338.165 2.244 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001168965632 803552914 /nfs/dbraw/zinc/55/29/14/803552914.db2.gz BENMNHFZPDPCTL-ZWKOTPCHSA-N 1 0 333.432 2.054 20 5 EEBDRO COc1cccc(Cn2cncc2C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168994599 803561589 /nfs/dbraw/zinc/56/15/89/803561589.db2.gz QGHRSMKOANDIOE-CVEARBPZSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169013410 803571443 /nfs/dbraw/zinc/57/14/43/803571443.db2.gz UXDRSNVOWFRAEC-KBPBESRZSA-N 1 0 339.436 2.375 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3nccc4occc43)CC2)C1 ZINC001169038350 803581892 /nfs/dbraw/zinc/58/18/92/803581892.db2.gz YHGBGVAUJOIEQR-KBPBESRZSA-N 1 0 330.388 2.395 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001169043750 803584319 /nfs/dbraw/zinc/58/43/19/803584319.db2.gz HNSKPFKEQCUNJC-UKRRQHHQSA-N 1 0 349.406 2.465 20 5 EEBDRO Cn1cc([C@@H]2COC3(C2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)cn1 ZINC001169025841 803591155 /nfs/dbraw/zinc/59/11/55/803591155.db2.gz ZGJRBEIBZMLMQX-YQQAZPJKSA-N 1 0 348.447 2.204 20 5 EEBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCO1 ZINC000788618942 807609046 /nfs/dbraw/zinc/60/90/46/807609046.db2.gz LIBWDPYTQAEDKD-QZTJIDSGSA-N 1 0 349.431 2.347 20 5 EEBDRO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629029 807614593 /nfs/dbraw/zinc/61/45/93/807614593.db2.gz QKIJKYHSHQGLPE-SNVBAGLBSA-N 1 0 336.392 2.447 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC001170309765 809900977 /nfs/dbraw/zinc/90/09/77/809900977.db2.gz SPHKIPDLLNHRPK-GFCCVEGCSA-N 1 0 335.404 2.312 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC001170355217 809902824 /nfs/dbraw/zinc/90/28/24/809902824.db2.gz XTJZLEJMHSSQRF-GFCCVEGCSA-N 1 0 330.388 2.326 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2c[nH]ccc-2n1 ZINC001130266057 811378143 /nfs/dbraw/zinc/37/81/43/811378143.db2.gz JXTPFIYAJHEEEW-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1ccc([N+](=O)[O-])cc1C ZINC000806589077 811943017 /nfs/dbraw/zinc/94/30/17/811943017.db2.gz BFKZNIOYFLNENC-CYBMUJFWSA-N 1 0 337.449 2.179 20 5 EEBDRO Cc1noc(C2CC2)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131441138 812833038 /nfs/dbraw/zinc/83/30/38/812833038.db2.gz KCWOXPJKAYMTFZ-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000808784711 812853587 /nfs/dbraw/zinc/85/35/87/812853587.db2.gz YVFCRTAQNVYSKL-DZKIICNBSA-N 1 0 335.379 2.471 20 5 EEBDRO Cc1nc(C)c(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001131548006 812973375 /nfs/dbraw/zinc/97/33/75/812973375.db2.gz DCQJEEFDANHDOG-UHFFFAOYSA-N 1 0 348.428 2.117 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001517388993 1119032675 /nfs/dbraw/zinc/03/26/75/1119032675.db2.gz CFENIANFRDCTPB-RDBSUJKOSA-N 1 0 338.456 2.191 20 5 EEBDRO [NH3+]CCCSCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001521400759 1119246962 /nfs/dbraw/zinc/24/69/62/1119246962.db2.gz AMYJUHYPRVTMSJ-UHFFFAOYSA-N 1 0 331.825 2.337 20 5 EEBDRO [NH3+][C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001523605526 1119817001 /nfs/dbraw/zinc/81/70/01/1119817001.db2.gz KNOXMRJRLVRFAG-OLZOCXBDSA-N 1 0 341.770 2.316 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418791848 529934903 /nfs/dbraw/zinc/93/49/03/529934903.db2.gz NEMKTGGFQOANRU-HRCADAONSA-N 1 0 346.431 2.167 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155052254 530058182 /nfs/dbraw/zinc/05/81/82/530058182.db2.gz ZARRWDMQFQEXIC-CABCVRRESA-N 1 0 347.415 2.306 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000180927886 234033957 /nfs/dbraw/zinc/03/39/57/234033957.db2.gz GWOKTHVQWLTMON-OAHLLOKOSA-N 1 0 334.420 2.417 20 5 EEBDRO Cc1c(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000183940753 235266563 /nfs/dbraw/zinc/26/65/63/235266563.db2.gz VQPHNMBABQJZCX-ZDUSSCGKSA-N 1 0 349.435 2.051 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000130068406 223118815 /nfs/dbraw/zinc/11/88/15/223118815.db2.gz VGJUAUZYUWFJDC-UHFFFAOYSA-N 1 0 346.387 2.190 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000132945297 283658636 /nfs/dbraw/zinc/65/86/36/283658636.db2.gz RDPYRUCGGIYMIR-SNVBAGLBSA-N 1 0 342.193 2.181 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000421875468 240040166 /nfs/dbraw/zinc/04/01/66/240040166.db2.gz QAXFZXFUJCMJCE-CQSZACIVSA-N 1 0 349.431 2.129 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829686 240655178 /nfs/dbraw/zinc/65/51/78/240655178.db2.gz SJCRZMNVZRNMPS-GJZGRUSLSA-N 1 0 349.435 2.253 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000426888672 241354387 /nfs/dbraw/zinc/35/43/87/241354387.db2.gz IZEKJVCLQPNHLN-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO CNc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000446441137 242191840 /nfs/dbraw/zinc/19/18/40/242191840.db2.gz SCQNQOBARPSJAO-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H](CO)Cc2ccccc2)n1 ZINC000447593592 242292889 /nfs/dbraw/zinc/29/28/89/242292889.db2.gz TWFFKYXJICXCPA-GVDBMIGSSA-N 1 0 344.415 2.468 20 5 EEBDRO C[C@@H]1[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803872 242317665 /nfs/dbraw/zinc/31/76/65/242317665.db2.gz CGYJVQSENZEGOF-GDBMZVCRSA-N 1 0 348.447 2.322 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000238021935 242902500 /nfs/dbraw/zinc/90/25/00/242902500.db2.gz GUOXWJHUMGYYOZ-MRXNPFEDSA-N 1 0 331.416 2.423 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1Oc1ccc(F)cc1 ZINC000451228569 243040271 /nfs/dbraw/zinc/04/02/71/243040271.db2.gz IRPSRKFNORUTMI-GDBMZVCRSA-N 1 0 348.330 2.376 20 5 EEBDRO NC(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000459781359 245244918 /nfs/dbraw/zinc/24/49/18/245244918.db2.gz NRGZVLQRVUPCHT-UHFFFAOYSA-N 1 0 329.400 2.365 20 5 EEBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262535290 296166229 /nfs/dbraw/zinc/16/62/29/296166229.db2.gz PIQGBPTVVSWVIY-NWDGAFQWSA-N 1 0 343.387 2.240 20 5 EEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000264180770 246148493 /nfs/dbraw/zinc/14/84/93/246148493.db2.gz ARVXSLPWLIVWBB-UHFFFAOYSA-N 1 0 348.403 2.361 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)cc1SC ZINC000264200815 246175254 /nfs/dbraw/zinc/17/52/54/246175254.db2.gz RWLQKZWKQRNDQT-VIFPVBQESA-N 1 0 327.406 2.005 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000494671209 247000449 /nfs/dbraw/zinc/00/04/49/247000449.db2.gz CAVXIZQLJMRYEP-GFCCVEGCSA-N 1 0 345.403 2.243 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000265023127 247142143 /nfs/dbraw/zinc/14/21/43/247142143.db2.gz HIMLLYHCRFOHPA-AWEZNQCLSA-N 1 0 334.372 2.379 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065887 248072362 /nfs/dbraw/zinc/07/23/62/248072362.db2.gz WPCZVPARPGOKFC-CJYSPXJISA-N 1 0 333.388 2.325 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266186858 248157049 /nfs/dbraw/zinc/15/70/49/248157049.db2.gz AVFQWDLUFAWTRY-HNNXBMFYSA-N 1 0 344.415 2.184 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414944842 532965988 /nfs/dbraw/zinc/96/59/88/532965988.db2.gz HJWZNYURNZEDHJ-MRVPVSSYSA-N 1 0 330.291 2.022 20 5 EEBDRO Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267117909 256028630 /nfs/dbraw/zinc/02/86/30/256028630.db2.gz AGZDSTGASBASRK-OAHLLOKOSA-N 1 0 338.433 2.462 20 5 EEBDRO CCc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000270606208 256152620 /nfs/dbraw/zinc/15/26/20/256152620.db2.gz DSCUSRRNDDDALE-CABCVRRESA-N 1 0 337.445 2.275 20 5 EEBDRO Cc1ccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc1[N+](=O)[O-] ZINC000271124092 256210470 /nfs/dbraw/zinc/21/04/70/256210470.db2.gz GHKQSNRKMMNIGB-MRXNPFEDSA-N 1 0 340.420 2.138 20 5 EEBDRO CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000273506713 256302259 /nfs/dbraw/zinc/30/22/59/256302259.db2.gz NATCHHOQLFWUOE-CVEARBPZSA-N 1 0 349.456 2.176 20 5 EEBDRO CCOc1cccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000273872893 256334398 /nfs/dbraw/zinc/33/43/98/256334398.db2.gz OYDOTWVCTRHZNE-JSGCOSHPSA-N 1 0 325.434 2.475 20 5 EEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000276312589 256421072 /nfs/dbraw/zinc/42/10/72/256421072.db2.gz XKLVYQVTYOCQTQ-UHFFFAOYSA-N 1 0 342.399 2.211 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(CC)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000276496479 256438533 /nfs/dbraw/zinc/43/85/33/256438533.db2.gz TYSSCRSARHGXKM-UHFFFAOYSA-N 1 0 339.440 2.464 20 5 EEBDRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000191626175 533530041 /nfs/dbraw/zinc/53/00/41/533530041.db2.gz CDAGEJXAAUXSJR-UHFFFAOYSA-N 1 0 333.388 2.268 20 5 EEBDRO COC(=O)CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000114476228 140761779 /nfs/dbraw/zinc/76/17/79/140761779.db2.gz WZYFYQDLDDVIIH-UHFFFAOYSA-N 1 0 337.376 2.115 20 5 EEBDRO C[C@@H]1COCCN1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192733993 140876679 /nfs/dbraw/zinc/87/66/79/140876679.db2.gz PHQVTCQPZGRISF-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087136931 292206121 /nfs/dbraw/zinc/20/61/21/292206121.db2.gz AMBHQOHVZYPBAB-ZDUSSCGKSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173359461 152161342 /nfs/dbraw/zinc/16/13/42/152161342.db2.gz CSPGKTCJIMBBDQ-CYBMUJFWSA-N 1 0 349.412 2.224 20 5 EEBDRO C[C@@H]([NH3+])CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262540898 152290015 /nfs/dbraw/zinc/29/00/15/152290015.db2.gz SZXAPXMQAXFZET-MRVPVSSYSA-N 1 0 335.282 2.003 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCSC1 ZINC000342931034 152685662 /nfs/dbraw/zinc/68/56/62/152685662.db2.gz WXMGWJCGXCKOEH-INIZCTEOSA-N 1 0 348.428 2.243 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000354082770 153096360 /nfs/dbraw/zinc/09/63/60/153096360.db2.gz KXRITPJIMYAPIT-UHFFFAOYSA-N 1 0 337.424 2.293 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000377236725 154099257 /nfs/dbraw/zinc/09/92/57/154099257.db2.gz GHJGLRAQMLNAJI-QWHCGFSZSA-N 1 0 336.388 2.470 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081362000 159152119 /nfs/dbraw/zinc/15/21/19/159152119.db2.gz RTTJPKFWZFFQDX-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000081527696 159154751 /nfs/dbraw/zinc/15/47/51/159154751.db2.gz UOKUTSQYUZNWKG-GFCCVEGCSA-N 1 0 346.387 2.106 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1O ZINC000093534399 159235857 /nfs/dbraw/zinc/23/58/57/159235857.db2.gz DMCDCAWKYFFUGM-ZDUSSCGKSA-N 1 0 344.371 2.390 20 5 EEBDRO C[C@@H]1CN(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000192748893 160172884 /nfs/dbraw/zinc/17/28/84/160172884.db2.gz YIYOOOAAMOMUSZ-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246915024 160300992 /nfs/dbraw/zinc/30/09/92/160300992.db2.gz MTFYVIBNGJBYCB-CPUCHLNUSA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247328154 160320511 /nfs/dbraw/zinc/32/05/11/160320511.db2.gz WSHKYJMGWAPUTH-YCPHGPKFSA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341690925 161005421 /nfs/dbraw/zinc/00/54/21/161005421.db2.gz WTVZKGNADPAZRU-XHSDSOJGSA-N 1 0 348.447 2.094 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000342295012 161054407 /nfs/dbraw/zinc/05/44/07/161054407.db2.gz PBWQWAPZRWWIOG-ZDUSSCGKSA-N 1 0 348.403 2.453 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000342732548 161086563 /nfs/dbraw/zinc/08/65/63/161086563.db2.gz ZVLWGJUSHRIZLP-UONOGXRCSA-N 1 0 346.431 2.170 20 5 EEBDRO C[N@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000342792412 161091299 /nfs/dbraw/zinc/09/12/99/161091299.db2.gz WHOGYJQBPFBXRJ-UHFFFAOYSA-N 1 0 346.362 2.377 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCc2ccccc2C1 ZINC000342808086 161092183 /nfs/dbraw/zinc/09/21/83/161092183.db2.gz KKYMYEQSMSWWEY-ZDUSSCGKSA-N 1 0 342.399 2.110 20 5 EEBDRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343979593 161186204 /nfs/dbraw/zinc/18/62/04/161186204.db2.gz NVCMWMCIYOGBAQ-AWEZNQCLSA-N 1 0 348.447 2.188 20 5 EEBDRO CC(C)C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000345145519 161275983 /nfs/dbraw/zinc/27/59/83/161275983.db2.gz HKBGZEDGPHBWRX-GFCCVEGCSA-N 1 0 343.449 2.387 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345371991 161296300 /nfs/dbraw/zinc/29/63/00/161296300.db2.gz CRDKLHSRISXKJK-HIFRSBDPSA-N 1 0 334.420 2.261 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000345542281 161309941 /nfs/dbraw/zinc/30/99/41/161309941.db2.gz QJOFSQUMORFQPZ-AWEZNQCLSA-N 1 0 336.436 2.268 20 5 EEBDRO C[NH+](C)Cc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000345929723 161343163 /nfs/dbraw/zinc/34/31/63/161343163.db2.gz ARSHKXBQTNYIND-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000352469265 162147026 /nfs/dbraw/zinc/14/70/26/162147026.db2.gz DDCNWSVDWSAVCE-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO CSCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352504544 162162525 /nfs/dbraw/zinc/16/25/25/162162525.db2.gz REJJCAGTVAVKPI-RISCZKNCSA-N 1 0 325.434 2.455 20 5 EEBDRO COc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000356248712 163379461 /nfs/dbraw/zinc/37/94/61/163379461.db2.gz DXFVLNHYUGLHQG-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000358911513 164013374 /nfs/dbraw/zinc/01/33/74/164013374.db2.gz YSQGHVNCNPEGSF-UHFFFAOYSA-N 1 0 347.415 2.356 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018068 164038133 /nfs/dbraw/zinc/03/81/33/164038133.db2.gz KNIXUFUKWRAEJJ-CYBMUJFWSA-N 1 0 335.408 2.188 20 5 EEBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000360615629 164351928 /nfs/dbraw/zinc/35/19/28/164351928.db2.gz ZOCXZMKIIBHMHA-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360654124 164358846 /nfs/dbraw/zinc/35/88/46/164358846.db2.gz SNEKLJCIPLVMMW-GXSJLCMTSA-N 1 0 347.824 2.009 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360832217 164387789 /nfs/dbraw/zinc/38/77/89/164387789.db2.gz DGFXKWGCJLHJMO-IUODEOHRSA-N 1 0 338.404 2.432 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000362782337 164795277 /nfs/dbraw/zinc/79/52/77/164795277.db2.gz QIDNRQQPDILGEZ-OFQRWUPVSA-N 1 0 347.415 2.227 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000369681412 166312744 /nfs/dbraw/zinc/31/27/44/166312744.db2.gz LMUMVJKZFIXCOU-UHFFFAOYSA-N 1 0 336.314 2.397 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376407551 167320207 /nfs/dbraw/zinc/32/02/07/167320207.db2.gz MQFLUGTZCIVDBY-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000272535201 268989226 /nfs/dbraw/zinc/98/92/26/268989226.db2.gz BTJPZAWQEXBJCS-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CC[C@@](C)(O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000275407058 269113457 /nfs/dbraw/zinc/11/34/57/269113457.db2.gz CWYDMQTXWXRUTG-QGZVFWFLSA-N 1 0 347.419 2.144 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000277687208 269171877 /nfs/dbraw/zinc/17/18/77/269171877.db2.gz VLLNVMXBJYSPRA-CZUORRHYSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000277931981 269198736 /nfs/dbraw/zinc/19/87/36/269198736.db2.gz BBPDPCBNEDSZEY-UHFFFAOYSA-N 1 0 330.344 2.318 20 5 EEBDRO CCN1CC[NH+](C[C@@H](C)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278435137 269231291 /nfs/dbraw/zinc/23/12/91/269231291.db2.gz PYKJEPFKUZSLOY-AWEZNQCLSA-N 1 0 347.463 2.248 20 5 EEBDRO Cc1nc[nH]c1CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000279547756 269287054 /nfs/dbraw/zinc/28/70/54/269287054.db2.gz XKGSGZPHNYPWED-UHFFFAOYSA-N 1 0 331.376 2.096 20 5 EEBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271472157 274134176 /nfs/dbraw/zinc/13/41/76/274134176.db2.gz WBUXACNJTSBVGA-ZDUSSCGKSA-N 1 0 340.387 2.370 20 5 EEBDRO C[N@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000272794228 274182714 /nfs/dbraw/zinc/18/27/14/274182714.db2.gz CQFGEVBWSPPNPJ-UHFFFAOYSA-N 1 0 347.462 2.346 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493768389 274270070 /nfs/dbraw/zinc/27/00/70/274270070.db2.gz OVWVHFQTGACFRO-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277558684 274309095 /nfs/dbraw/zinc/30/90/95/274309095.db2.gz PDOSUJWMNZZHPJ-ZDUSSCGKSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278418424 274352985 /nfs/dbraw/zinc/35/29/85/274352985.db2.gz XCTGLMZJZSRMRR-ZDUSSCGKSA-N 1 0 348.403 2.312 20 5 EEBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C1CC[NH+](C)CC1 ZINC000291287364 275290312 /nfs/dbraw/zinc/29/03/12/275290312.db2.gz SJBJEVRAIWQZLF-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292121901 275379780 /nfs/dbraw/zinc/37/97/80/275379780.db2.gz GPXKVIRRPWMUPN-GOSISDBHSA-N 1 0 344.415 2.337 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)CC(C)C ZINC000112915074 276119317 /nfs/dbraw/zinc/11/93/17/276119317.db2.gz QYTYDDZGTUQCBC-ZDUSSCGKSA-N 1 0 339.440 2.123 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173173 277084012 /nfs/dbraw/zinc/08/40/12/277084012.db2.gz VDSIWVPGORJGLG-SUMWQHHRSA-N 1 0 347.415 2.377 20 5 EEBDRO COC[C@@]1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357281152 277582870 /nfs/dbraw/zinc/58/28/70/277582870.db2.gz ARINBWIPBDMUAD-SFHVURJKSA-N 1 0 349.431 2.391 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1SC ZINC000153398216 277839594 /nfs/dbraw/zinc/83/95/94/277839594.db2.gz ZTJDUMDTEYPCBW-NXEZZACHSA-N 1 0 339.417 2.148 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153507622 277854904 /nfs/dbraw/zinc/85/49/04/277854904.db2.gz QRTGDAICZACVFJ-BETUJISGSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186771554 278255665 /nfs/dbraw/zinc/25/56/65/278255665.db2.gz RSLBGSDMCNKCIK-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000193919850 278341442 /nfs/dbraw/zinc/34/14/42/278341442.db2.gz QDKXVBAORFFBEH-UHFFFAOYSA-N 1 0 341.433 2.136 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359026036 279133672 /nfs/dbraw/zinc/13/36/72/279133672.db2.gz LPCGCELPHZSLLI-KGLIPLIRSA-N 1 0 349.435 2.434 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000368232034 279946973 /nfs/dbraw/zinc/94/69/73/279946973.db2.gz YYNIFUPPCZCTRD-INIZCTEOSA-N 1 0 344.415 2.067 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294038280 293355514 /nfs/dbraw/zinc/35/55/14/293355514.db2.gz KMJWTJVUXAMJHC-BQYQJAHWSA-N 1 0 329.360 2.005 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000295413600 293711133 /nfs/dbraw/zinc/71/11/33/293711133.db2.gz NGPHIONUTFGLOR-HZMBPMFUSA-N 1 0 335.360 2.228 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795142 294342926 /nfs/dbraw/zinc/34/29/26/294342926.db2.gz XSUNEOAYNLGPEV-JGGQBBKZSA-N 1 0 332.404 2.391 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000342924515 301550726 /nfs/dbraw/zinc/55/07/26/301550726.db2.gz FIALSZYYIDXIGX-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159604535 311343450 /nfs/dbraw/zinc/34/34/50/311343450.db2.gz PDGOLZOKGFDTEC-COXVUDFISA-N 1 0 329.400 2.400 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174210518 311426264 /nfs/dbraw/zinc/42/62/64/311426264.db2.gz BTTVIDFKYLMLMU-HNNXBMFYSA-N 1 0 332.404 2.222 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414564202 313042604 /nfs/dbraw/zinc/04/26/04/313042604.db2.gz XMIHXGWRDPXJIK-UHFFFAOYSA-N 1 0 326.418 2.208 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000414646589 313055238 /nfs/dbraw/zinc/05/52/38/313055238.db2.gz PJEGDAKNGRBMQJ-ZETCQYMHSA-N 1 0 328.275 2.397 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000414646588 313055750 /nfs/dbraw/zinc/05/57/50/313055750.db2.gz PJEGDAKNGRBMQJ-SSDOTTSWSA-N 1 0 328.275 2.397 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414950609 313114053 /nfs/dbraw/zinc/11/40/53/313114053.db2.gz OZKNHXSCJVJIEW-VIFPVBQESA-N 1 0 344.318 2.317 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708744 313573395 /nfs/dbraw/zinc/57/33/95/313573395.db2.gz AEIVQSZINOPDIN-ZFWWWQNUSA-N 1 0 334.420 2.296 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000417712142 313574057 /nfs/dbraw/zinc/57/40/57/313574057.db2.gz FNOYDIAPIWBCFR-CQSZACIVSA-N 1 0 349.435 2.147 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418085099 313708271 /nfs/dbraw/zinc/70/82/71/313708271.db2.gz WZEZSSYBKARNNY-HOTGVXAUSA-N 1 0 346.431 2.434 20 5 EEBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419819606 313934472 /nfs/dbraw/zinc/93/44/72/313934472.db2.gz MGBOCLHRZZUKOL-CVEARBPZSA-N 1 0 334.372 2.466 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430607425 314557842 /nfs/dbraw/zinc/55/78/42/314557842.db2.gz CFROWEQXYDHXIP-GWCFXTLKSA-N 1 0 340.811 2.388 20 5 EEBDRO CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000430928179 314593439 /nfs/dbraw/zinc/59/34/39/314593439.db2.gz KOYSLYSPVUYTQM-CQSZACIVSA-N 1 0 331.376 2.219 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448878515 315396376 /nfs/dbraw/zinc/39/63/76/315396376.db2.gz RFSROERMNAUJRE-LBPRGKRZSA-N 1 0 345.403 2.445 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000524720414 317024208 /nfs/dbraw/zinc/02/42/08/317024208.db2.gz PEHVRDTVMVIJCI-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO CN(CC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000525713256 317070227 /nfs/dbraw/zinc/07/02/27/317070227.db2.gz FKAPFFQDYIVMCS-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000540170659 318071674 /nfs/dbraw/zinc/07/16/74/318071674.db2.gz ITIOLBWFDNOOLW-MLGOLLRUSA-N 1 0 343.387 2.093 20 5 EEBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000563690254 319037045 /nfs/dbraw/zinc/03/70/45/319037045.db2.gz WBXUIOLSKDNMRX-VIFPVBQESA-N 1 0 330.291 2.022 20 5 EEBDRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563898943 319054182 /nfs/dbraw/zinc/05/41/82/319054182.db2.gz UCNJTSZUXDDJSA-AWEZNQCLSA-N 1 0 326.418 2.387 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000564657842 319098522 /nfs/dbraw/zinc/09/85/22/319098522.db2.gz POYJTEXXPBFLNE-DTWKUNHWSA-N 1 0 344.209 2.142 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]Cc2ccccc21 ZINC000565772076 319212689 /nfs/dbraw/zinc/21/26/89/319212689.db2.gz CPHPSEXCGWJXAG-MRXNPFEDSA-N 1 0 325.368 2.141 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1SC ZINC000566011521 319235200 /nfs/dbraw/zinc/23/52/00/319235200.db2.gz WAJBQVJYMJKBKV-RKDXNWHRSA-N 1 0 327.406 2.181 20 5 EEBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000566101508 319244427 /nfs/dbraw/zinc/24/44/27/319244427.db2.gz UTUACGHFMOCSAT-LBPRGKRZSA-N 1 0 343.387 2.288 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568975910 319535364 /nfs/dbraw/zinc/53/53/64/319535364.db2.gz WIMUROAHQAYMIN-WFASDCNBSA-N 1 0 332.404 2.180 20 5 EEBDRO COc1ccc(CC(=O)Nc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000573556305 319945332 /nfs/dbraw/zinc/94/53/32/319945332.db2.gz DUIDNBOEJMZROR-UHFFFAOYSA-N 1 0 341.367 2.430 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1SC ZINC000577947380 320285317 /nfs/dbraw/zinc/28/53/17/320285317.db2.gz YFOBTHUDYBKWIA-OAHLLOKOSA-N 1 0 341.433 2.429 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000581883752 324334839 /nfs/dbraw/zinc/33/48/39/324334839.db2.gz XMCQYYHEZHUUBL-MRXNPFEDSA-N 1 0 346.431 2.487 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000339241031 465160073 /nfs/dbraw/zinc/16/00/73/465160073.db2.gz VMQQXYFWUJNISI-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO CC(C)C[C@@H]([NH3+])c1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000339366115 465225618 /nfs/dbraw/zinc/22/56/18/465225618.db2.gz YOMMQIBPDIJMSB-LLVKDONJSA-N 1 0 348.359 2.386 20 5 EEBDRO C[C@H](c1cnn(C)c1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337329541 465309022 /nfs/dbraw/zinc/30/90/22/465309022.db2.gz ZSJSFAKQRMDRKP-GFCCVEGCSA-N 1 0 331.376 2.350 20 5 EEBDRO Cc1cc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000590554802 468271430 /nfs/dbraw/zinc/27/14/30/468271430.db2.gz FJOVZMMKLQBDHN-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000590638249 468293754 /nfs/dbraw/zinc/29/37/54/468293754.db2.gz QINJOGVSYOHKPA-CYBMUJFWSA-N 1 0 347.415 2.404 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112924977 462554633 /nfs/dbraw/zinc/55/46/33/462554633.db2.gz MJDGNASLCSUTOF-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH+](CC)CC)cc1OC ZINC000061429223 462583366 /nfs/dbraw/zinc/58/33/66/462583366.db2.gz PPFOSKXFGNWIBG-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000046063613 462644015 /nfs/dbraw/zinc/64/40/15/462644015.db2.gz LCGFQPBRCCIYQV-OAHLLOKOSA-N 1 0 342.399 2.490 20 5 EEBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153606696 462668827 /nfs/dbraw/zinc/66/88/27/462668827.db2.gz FFZHAXHNSSCZBU-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000089644407 462703349 /nfs/dbraw/zinc/70/33/49/462703349.db2.gz SGXQYHYBISESNY-CVEARBPZSA-N 1 0 342.399 2.346 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000115519213 462718857 /nfs/dbraw/zinc/71/88/57/462718857.db2.gz YSBTVJGQAFCVRQ-GFCCVEGCSA-N 1 0 332.404 2.258 20 5 EEBDRO O=c1[nH]cnc2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)c([N+](=O)[O-])cc21 ZINC000568300088 468317559 /nfs/dbraw/zinc/31/75/59/468317559.db2.gz YTCUERIFFWBEDN-LBPRGKRZSA-N 1 0 343.387 2.166 20 5 EEBDRO O=[N+]([O-])c1c(N2CCN(c3cc[nH+]cc3)CC2)nc2sccn21 ZINC000008338147 462780692 /nfs/dbraw/zinc/78/06/92/462780692.db2.gz ZYMLEKYWZGZLQD-UHFFFAOYSA-N 1 0 330.373 2.026 20 5 EEBDRO CCOc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512162 462795010 /nfs/dbraw/zinc/79/50/10/462795010.db2.gz NZBIQTSMEJAPBS-UHFFFAOYSA-N 1 0 331.372 2.287 20 5 EEBDRO CC(C)(CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000048178203 462869063 /nfs/dbraw/zinc/86/90/63/462869063.db2.gz YGNOWOFRVWOHJM-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120713576 463030046 /nfs/dbraw/zinc/03/00/46/463030046.db2.gz QOOBWNXEYXAVEB-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000024682631 463094366 /nfs/dbraw/zinc/09/43/66/463094366.db2.gz MIEBONKRIPJICV-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000068202988 463105108 /nfs/dbraw/zinc/10/51/08/463105108.db2.gz VSXJHMFLUFDSSC-KGLIPLIRSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151774 463112021 /nfs/dbraw/zinc/11/20/21/463112021.db2.gz LTMNXQVLJIGEST-PHIMTYICSA-N 1 0 339.421 2.215 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000028834982 463233910 /nfs/dbraw/zinc/23/39/10/463233910.db2.gz QJPOAHIFMIPICZ-CQSZACIVSA-N 1 0 349.412 2.454 20 5 EEBDRO CC1CC[NH+](CCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000029187542 463246082 /nfs/dbraw/zinc/24/60/82/463246082.db2.gz YFKLAUNHIUJOLJ-UHFFFAOYSA-N 1 0 345.403 2.365 20 5 EEBDRO Cc1nn(C)c(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000079936278 463263221 /nfs/dbraw/zinc/26/32/21/463263221.db2.gz JBOXBDIIUHWCMI-UHFFFAOYSA-N 1 0 330.392 2.108 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000080008267 463271677 /nfs/dbraw/zinc/27/16/77/463271677.db2.gz LXIWAFDXHRIPGA-QWHCGFSZSA-N 1 0 332.404 2.439 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123177174 463321865 /nfs/dbraw/zinc/32/18/65/463321865.db2.gz MBOPQSMWUPYOTR-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000160480312 463343031 /nfs/dbraw/zinc/34/30/31/463343031.db2.gz FQIRJFXMXQUZEY-ZNMIVQPWSA-N 1 0 334.420 2.376 20 5 EEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144585231 463376694 /nfs/dbraw/zinc/37/66/94/463376694.db2.gz ASHMTOFZPSHGCV-XJKSGUPXSA-N 1 0 349.431 2.266 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C[NH+]1CCCCC1 ZINC000147710654 463396116 /nfs/dbraw/zinc/39/61/16/463396116.db2.gz KJKVVOLHPLUMDT-GFCCVEGCSA-N 1 0 349.387 2.175 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782707 463427327 /nfs/dbraw/zinc/42/73/27/463427327.db2.gz KMXJCWSAWWCYGS-LSDHHAIUSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1nccn1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658517 463448998 /nfs/dbraw/zinc/44/89/98/463448998.db2.gz SXAYRKVAMSNLKB-UHFFFAOYSA-N 1 0 329.404 2.312 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000105802254 463467695 /nfs/dbraw/zinc/46/76/95/463467695.db2.gz IOMAXCNAVSVBEB-CQSZACIVSA-N 1 0 343.387 2.152 20 5 EEBDRO COc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000151315509 463511689 /nfs/dbraw/zinc/51/16/89/463511689.db2.gz SIASLMNTAAKORI-UHFFFAOYSA-N 1 0 328.372 2.321 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000553348522 468362489 /nfs/dbraw/zinc/36/24/89/468362489.db2.gz XMDQBSIZDIPDEF-AWEZNQCLSA-N 1 0 335.404 2.137 20 5 EEBDRO O=c1[nH]cnc2cc(NC3CC[NH+](CC4CC4)CC3)c([N+](=O)[O-])cc21 ZINC000194087653 463788493 /nfs/dbraw/zinc/78/84/93/463788493.db2.gz WKHMKJKAPXDCOJ-UHFFFAOYSA-N 1 0 343.387 2.118 20 5 EEBDRO CS[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000492313371 468377627 /nfs/dbraw/zinc/37/76/27/468377627.db2.gz OYHVGDGMSNXEAS-SFRZCGLPSA-N 1 0 335.429 2.112 20 5 EEBDRO [NH3+]C1(c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)CCC1 ZINC000261657414 463817246 /nfs/dbraw/zinc/81/72/46/463817246.db2.gz FIYZGOVWNURNTI-UHFFFAOYSA-N 1 0 326.316 2.168 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC[NH+](C)CC1 ZINC000171222474 463817821 /nfs/dbraw/zinc/81/78/21/463817821.db2.gz HDCGZYTWPYAIEN-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261707931 463834306 /nfs/dbraw/zinc/83/43/06/463834306.db2.gz JSXOYOOWFWKQSC-HZSPNIEDSA-N 1 0 348.447 2.415 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000269002554 463843013 /nfs/dbraw/zinc/84/30/13/463843013.db2.gz ZPAVOBKIDDGHJB-HZPDHXFCSA-N 1 0 346.431 2.263 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194364039 463846069 /nfs/dbraw/zinc/84/60/69/463846069.db2.gz HBCGYVDRVQYIQC-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171448740 463866046 /nfs/dbraw/zinc/86/60/46/463866046.db2.gz KIDLWUJBFYMHDW-OAHLLOKOSA-N 1 0 344.415 2.479 20 5 EEBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000185774640 463877325 /nfs/dbraw/zinc/87/73/25/463877325.db2.gz ROQHXVACRCGBGD-CYBMUJFWSA-N 1 0 337.376 2.314 20 5 EEBDRO CC(C)[N@@H+]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000283517277 463913375 /nfs/dbraw/zinc/91/33/75/463913375.db2.gz MUHGXCJKEAPABD-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000261993869 463920043 /nfs/dbraw/zinc/92/00/43/463920043.db2.gz NDQBVCDYPMRILP-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283735135 463989388 /nfs/dbraw/zinc/98/93/88/463989388.db2.gz IJLZUPHGWNPFNS-GFCCVEGCSA-N 1 0 325.796 2.407 20 5 EEBDRO C[NH+]1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000195508951 464061060 /nfs/dbraw/zinc/06/10/60/464061060.db2.gz CRXSIQJGQPAVOU-UHFFFAOYSA-N 1 0 347.444 2.411 20 5 EEBDRO COC(=O)[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591026203 468396306 /nfs/dbraw/zinc/39/63/06/468396306.db2.gz MIYBIQMWWCIBLV-HNNXBMFYSA-N 1 0 349.387 2.341 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292395697 464218298 /nfs/dbraw/zinc/21/82/98/464218298.db2.gz YJPWRTDWLKDWBI-QWHCGFSZSA-N 1 0 326.418 2.331 20 5 EEBDRO COC(=O)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180039780 464228924 /nfs/dbraw/zinc/22/89/24/464228924.db2.gz XKKOTSRLMWAKCJ-UHFFFAOYSA-N 1 0 346.387 2.284 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000270293048 464245496 /nfs/dbraw/zinc/24/54/96/464245496.db2.gz PLLAYNFYZYIXDN-UHFFFAOYSA-N 1 0 346.431 2.311 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000343005313 465447975 /nfs/dbraw/zinc/44/79/75/465447975.db2.gz BNMBFXYFJPWDER-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000280961874 464281948 /nfs/dbraw/zinc/28/19/48/464281948.db2.gz INNOJFACBTXNOZ-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292595176 464283542 /nfs/dbraw/zinc/28/35/42/464283542.db2.gz FLERSNGZGOJQON-UHFFFAOYSA-N 1 0 331.294 2.391 20 5 EEBDRO COC(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000188668862 464338030 /nfs/dbraw/zinc/33/80/30/464338030.db2.gz MQRNWHOZUSCUFY-UHFFFAOYSA-N 1 0 330.287 2.239 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000237691365 464363750 /nfs/dbraw/zinc/36/37/50/464363750.db2.gz IQNZUIMSLIIQMV-OKILXGFUSA-N 1 0 346.431 2.123 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000281211956 464372186 /nfs/dbraw/zinc/37/21/86/464372186.db2.gz QJMWHROIZCFPEM-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292879356 464374266 /nfs/dbraw/zinc/37/42/66/464374266.db2.gz DUXYHTCFLYUWRY-TZMCWYRMSA-N 1 0 331.376 2.077 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000281307961 464409712 /nfs/dbraw/zinc/40/97/12/464409712.db2.gz ZTDCACHXBSFPRM-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264658091 464411941 /nfs/dbraw/zinc/41/19/41/464411941.db2.gz YCCKQIHHOIVWIM-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000238144805 464435150 /nfs/dbraw/zinc/43/51/50/464435150.db2.gz PGNGOPANIJPVFA-ZDUSSCGKSA-N 1 0 332.404 2.067 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189197946 464454634 /nfs/dbraw/zinc/45/46/34/464454634.db2.gz NAGNXZQARGDBPV-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294331827 464468928 /nfs/dbraw/zinc/46/89/28/464468928.db2.gz OZYXKDHKFSCALC-MXASKKJJSA-N 1 0 334.416 2.436 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc1 ZINC000272206316 464518345 /nfs/dbraw/zinc/51/83/45/464518345.db2.gz BLFPQRQEHNRZIE-UHFFFAOYSA-N 1 0 327.384 2.409 20 5 EEBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272244512 464534297 /nfs/dbraw/zinc/53/42/97/464534297.db2.gz LCVDWHRPQZRJGZ-GXTWGEPZSA-N 1 0 342.403 2.290 20 5 EEBDRO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCn1cc([N+](=O)[O-])cn1 ZINC000285421793 464558845 /nfs/dbraw/zinc/55/88/45/464558845.db2.gz BXVSBIUPDVJQIZ-UHFFFAOYSA-N 1 0 342.359 2.016 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000175502204 464563066 /nfs/dbraw/zinc/56/30/66/464563066.db2.gz PHALIFZXHOOMNN-UHFFFAOYSA-N 1 0 349.431 2.290 20 5 EEBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460609 464572821 /nfs/dbraw/zinc/57/28/21/464572821.db2.gz ZVJIKRYOQDXCTJ-XZOAIXRZSA-N 1 0 348.447 2.205 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@H+](C)C1 ZINC000182168672 464588179 /nfs/dbraw/zinc/58/81/79/464588179.db2.gz QQUHVCDFAZZTFY-NSHDSACASA-N 1 0 343.330 2.362 20 5 EEBDRO CC[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272492190 464630726 /nfs/dbraw/zinc/63/07/26/464630726.db2.gz FBYLNPSSCFPLIT-KRWDZBQOSA-N 1 0 343.431 2.492 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272606183 464676599 /nfs/dbraw/zinc/67/65/99/464676599.db2.gz VWMLGAVSMBTQKS-IOASZLSFSA-N 1 0 335.404 2.405 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295144194 464721338 /nfs/dbraw/zinc/72/13/38/464721338.db2.gz LJZPAEWWTNADSU-NSHDSACASA-N 1 0 339.392 2.023 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000176216101 464723389 /nfs/dbraw/zinc/72/33/89/464723389.db2.gz QCMUCVBKUDWHSS-MRXNPFEDSA-N 1 0 330.388 2.473 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000285990033 464766136 /nfs/dbraw/zinc/76/61/36/464766136.db2.gz IDRAOOLUACAYKF-AWEZNQCLSA-N 1 0 343.387 2.124 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295427790 464830511 /nfs/dbraw/zinc/83/05/11/464830511.db2.gz UOZGEQKHCDEGEH-LBPRGKRZSA-N 1 0 333.388 2.160 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000286205621 464838039 /nfs/dbraw/zinc/83/80/39/464838039.db2.gz YDQQCDQFBZFBLM-KZNAEPCWSA-N 1 0 342.399 2.296 20 5 EEBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000276230615 464855994 /nfs/dbraw/zinc/85/59/94/464855994.db2.gz KKULNUJODCQWOQ-LLVKDONJSA-N 1 0 333.310 2.419 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1C ZINC000183421681 464863323 /nfs/dbraw/zinc/86/33/23/464863323.db2.gz BPUWUBXWEKWLFS-MEDUHNTESA-N 1 0 343.387 2.093 20 5 EEBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958923 464885343 /nfs/dbraw/zinc/88/53/43/464885343.db2.gz XEBDVWYRURWUTD-KYJSFNMBSA-N 1 0 344.415 2.105 20 5 EEBDRO Cn1ccnc1[C@@H]1N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821152 464976308 /nfs/dbraw/zinc/97/63/08/464976308.db2.gz GKYKJBMDFJCKOH-CABCVRRESA-N 1 0 330.388 2.445 20 5 EEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000337439274 465371320 /nfs/dbraw/zinc/37/13/20/465371320.db2.gz IXWUUIKEXRFOKP-XWCIJXRUSA-N 1 0 349.387 2.053 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000359548820 465447637 /nfs/dbraw/zinc/44/76/37/465447637.db2.gz SMKNSPPXKAVRSJ-AWEZNQCLSA-N 1 0 334.420 2.386 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000348164378 465461046 /nfs/dbraw/zinc/46/10/46/465461046.db2.gz SRSYZCHMYKNBKE-CHWSQXEVSA-N 1 0 334.376 2.205 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339762092 465495313 /nfs/dbraw/zinc/49/53/13/465495313.db2.gz IUBHFAWYAYBADF-IAGOWNOFSA-N 1 0 336.388 2.013 20 5 EEBDRO CC[N@H+](CCC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000356897162 465609118 /nfs/dbraw/zinc/60/91/18/465609118.db2.gz SQVSKNXINYKRAK-UHFFFAOYSA-N 1 0 349.435 2.292 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2OC(F)F)c1 ZINC000348530316 465657349 /nfs/dbraw/zinc/65/73/49/465657349.db2.gz LNWJXNOSEFZHLY-KWCYVHTRSA-N 1 0 346.330 2.084 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344609554 465718736 /nfs/dbraw/zinc/71/87/36/465718736.db2.gz GYBAHLVBFBLQAL-OAHLLOKOSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011062 468449984 /nfs/dbraw/zinc/44/99/84/468449984.db2.gz UDAXVAUZEBONKP-WBVHZDCISA-N 1 0 331.372 2.470 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000299574321 465808106 /nfs/dbraw/zinc/80/81/06/465808106.db2.gz BUYKJASVTNEVPJ-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000591352748 468455818 /nfs/dbraw/zinc/45/58/18/468455818.db2.gz CQRIHRRUKAVGRQ-OAHLLOKOSA-N 1 0 334.420 2.359 20 5 EEBDRO Cc1ccc(CNc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000366752044 465914879 /nfs/dbraw/zinc/91/48/79/465914879.db2.gz QRTDCTZMSQUZGZ-UHFFFAOYSA-N 1 0 329.404 2.979 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000580066089 468460524 /nfs/dbraw/zinc/46/05/24/468460524.db2.gz LBRZVWVVZOJTQV-DGCLKSJQSA-N 1 0 337.401 2.184 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000349032547 465928966 /nfs/dbraw/zinc/92/89/66/465928966.db2.gz XHDLBWZGPSDXLX-GFCCVEGCSA-N 1 0 326.356 2.367 20 5 EEBDRO CC(=O)c1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301247363 465929719 /nfs/dbraw/zinc/92/97/19/465929719.db2.gz BAVLWIQCRSEFCU-MRXNPFEDSA-N 1 0 346.431 2.014 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CO ZINC000594017376 468462683 /nfs/dbraw/zinc/46/26/83/468462683.db2.gz XLCATXMOVZGTOH-HNNXBMFYSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000331148864 465956665 /nfs/dbraw/zinc/95/66/65/465956665.db2.gz BFOSIQKGZQGZPR-INIZCTEOSA-N 1 0 335.404 2.081 20 5 EEBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000353535682 465960617 /nfs/dbraw/zinc/96/06/17/465960617.db2.gz WNYRHXPRZMYKOS-UNEWFSDZSA-N 1 0 343.431 2.490 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331298425 466019247 /nfs/dbraw/zinc/01/92/47/466019247.db2.gz VADKGTOSGVFHLX-LBPRGKRZSA-N 1 0 343.449 2.158 20 5 EEBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000366967796 466044472 /nfs/dbraw/zinc/04/44/72/466044472.db2.gz ARSTYLRFNNRWJG-AWEZNQCLSA-N 1 0 326.356 2.094 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3CC[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591436908 468469554 /nfs/dbraw/zinc/46/95/54/468469554.db2.gz COCZKHQROSFBQD-NXEZZACHSA-N 1 0 341.209 2.249 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019736 466080861 /nfs/dbraw/zinc/08/08/61/466080861.db2.gz NGZXOBHGDCLBHT-UONOGXRCSA-N 1 0 344.415 2.343 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000346798009 466161443 /nfs/dbraw/zinc/16/14/43/466161443.db2.gz PDNIGLBZVDBVQS-HIFRSBDPSA-N 1 0 340.445 2.473 20 5 EEBDRO Cc1c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000372163317 466197346 /nfs/dbraw/zinc/19/73/46/466197346.db2.gz OZYDDADLLSJCQN-RRQGHBQHSA-N 1 0 347.415 2.227 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363179322 466265588 /nfs/dbraw/zinc/26/55/88/466265588.db2.gz JBBQMXSRVSZLET-UONOGXRCSA-N 1 0 348.403 2.029 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000305165563 466365096 /nfs/dbraw/zinc/36/50/96/466365096.db2.gz HLSKBLHTSFNNRF-QGZVFWFLSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@H]1CSCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070925 466372591 /nfs/dbraw/zinc/37/25/91/466372591.db2.gz WKINXLWQDGBZMO-NSHDSACASA-N 1 0 337.401 2.330 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000305455944 466408608 /nfs/dbraw/zinc/40/86/08/466408608.db2.gz TVVACTIQJMHLRA-BLLLJJGKSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000358200631 466536106 /nfs/dbraw/zinc/53/61/06/466536106.db2.gz JGGMXXIGUQCBEF-MLGOLLRUSA-N 1 0 333.388 2.025 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313337902 466539721 /nfs/dbraw/zinc/53/97/21/466539721.db2.gz CVVOUBLMKXZLAC-QGZVFWFLSA-N 1 0 325.368 2.310 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000341058263 466549166 /nfs/dbraw/zinc/54/91/66/466549166.db2.gz WCBSNORYUIHLRL-UHFFFAOYSA-N 1 0 335.452 2.152 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000347360143 466590116 /nfs/dbraw/zinc/59/01/16/466590116.db2.gz OPAWHWJZHMTLFO-SDNWHVSQSA-N 1 0 344.415 2.488 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000591687148 468503344 /nfs/dbraw/zinc/50/33/44/468503344.db2.gz ZVDOBXOPZZJRAR-JKSUJKDBSA-N 1 0 341.367 2.089 20 5 EEBDRO Cn1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000408449645 466653100 /nfs/dbraw/zinc/65/31/00/466653100.db2.gz ATNMYDMLSABSQI-GXTWGEPZSA-N 1 0 332.404 2.022 20 5 EEBDRO [NH3+]CCC[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000415388883 466662001 /nfs/dbraw/zinc/66/20/01/466662001.db2.gz SAALNFCTEFWWDB-ZDUSSCGKSA-N 1 0 329.360 2.013 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205563 466728517 /nfs/dbraw/zinc/72/85/17/466728517.db2.gz UIIWRJSDYAVNFU-MSOLQXFVSA-N 1 0 346.358 2.361 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192135 466740052 /nfs/dbraw/zinc/74/00/52/466740052.db2.gz VIJOSQPDDXFBDB-JJMVLAAESA-N 1 0 349.387 2.088 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423562007 466773631 /nfs/dbraw/zinc/77/36/31/466773631.db2.gz KFZKRAWCOSHFRN-RWMBFGLXSA-N 1 0 333.388 2.193 20 5 EEBDRO Cc1ccc([C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365517643 466844573 /nfs/dbraw/zinc/84/45/73/466844573.db2.gz UGJLSOPKUUGDAT-INIZCTEOSA-N 1 0 330.388 2.470 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000424006394 466948447 /nfs/dbraw/zinc/94/84/47/466948447.db2.gz DLLZZVSJOFBOBF-DLBZAZTESA-N 1 0 343.358 2.230 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1cccc(F)c1 ZINC000424011992 466950514 /nfs/dbraw/zinc/95/05/14/466950514.db2.gz NYLDHESXOICQTJ-NWDGAFQWSA-N 1 0 335.360 2.362 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000424030214 466957318 /nfs/dbraw/zinc/95/73/18/466957318.db2.gz FFAKRBKAVRPVFH-QGZVFWFLSA-N 1 0 331.416 2.374 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000412222883 467041819 /nfs/dbraw/zinc/04/18/19/467041819.db2.gz SNQOCOKNJVAVAF-XUWVNRHRSA-N 1 0 349.456 2.202 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412286054 467059001 /nfs/dbraw/zinc/05/90/01/467059001.db2.gz VHYZQYCVDDTQNK-UHFFFAOYSA-N 1 0 341.383 2.085 20 5 EEBDRO CC(C)Oc1cc(C(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000412302101 467062224 /nfs/dbraw/zinc/06/22/24/467062224.db2.gz FPXFBEVKWAQPIQ-UHFFFAOYSA-N 1 0 333.388 2.374 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1[NH+]1CCOCC1 ZINC000413183914 467185703 /nfs/dbraw/zinc/18/57/03/467185703.db2.gz WJKFKVVAGCMGRM-CXAGYDPISA-N 1 0 342.399 2.300 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451869757 467277425 /nfs/dbraw/zinc/27/74/25/467277425.db2.gz SLTTYKSJYVCPFH-CYBMUJFWSA-N 1 0 345.403 2.239 20 5 EEBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429158973 467307226 /nfs/dbraw/zinc/30/72/26/467307226.db2.gz PVXVUUDWHTVJAE-BXUZGUMPSA-N 1 0 327.812 2.135 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000420290109 467340335 /nfs/dbraw/zinc/34/03/35/467340335.db2.gz UIDKZRFLWPXCGC-DTWKUNHWSA-N 1 0 329.198 2.104 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000429510227 467342307 /nfs/dbraw/zinc/34/23/07/467342307.db2.gz LXDSYEOKKNLZLA-SNVBAGLBSA-N 1 0 331.376 2.220 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357956 467376001 /nfs/dbraw/zinc/37/60/01/467376001.db2.gz DYUKXELXBRZJKL-IQMDTDKHSA-N 1 0 340.811 2.163 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420359866 467376897 /nfs/dbraw/zinc/37/68/97/467376897.db2.gz KYQRUDSMOIIMCG-MRXNPFEDSA-N 1 0 334.420 2.339 20 5 EEBDRO CC[NH2+]CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430558369 467439394 /nfs/dbraw/zinc/43/93/94/467439394.db2.gz ACQHTDULPDCRSK-UHFFFAOYSA-N 1 0 345.403 2.466 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000415129574 467497088 /nfs/dbraw/zinc/49/70/88/467497088.db2.gz VCDFQHIIQKOTMM-ZIAGYGMSSA-N 1 0 325.434 2.375 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448553200 467592896 /nfs/dbraw/zinc/59/28/96/467592896.db2.gz AYONBZSEOYZMJX-UHFFFAOYSA-N 1 0 331.376 2.057 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000454789243 467615813 /nfs/dbraw/zinc/61/58/13/467615813.db2.gz FKPHVHKPLNZAOK-RISCZKNCSA-N 1 0 338.795 2.094 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449204109 467623391 /nfs/dbraw/zinc/62/33/91/467623391.db2.gz MBEOBUYCOMLWPS-LSDHHAIUSA-N 1 0 346.431 2.245 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449594441 467667456 /nfs/dbraw/zinc/66/74/56/467667456.db2.gz YFRDAMMWSMQYPH-DVOMOZLQSA-N 1 0 335.404 2.453 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449650855 467677292 /nfs/dbraw/zinc/67/72/92/467677292.db2.gz UYXSLHCTZKCCLZ-JQWIXIFHSA-N 1 0 325.796 2.424 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449714160 467698282 /nfs/dbraw/zinc/69/82/82/467698282.db2.gz ZUBXUPHWPFXGAG-GXTWGEPZSA-N 1 0 332.404 2.052 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000494203206 468036756 /nfs/dbraw/zinc/03/67/56/468036756.db2.gz AVTRRVKEVRDRLD-MEDUHNTESA-N 1 0 337.376 2.089 20 5 EEBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000488035157 468067467 /nfs/dbraw/zinc/06/74/67/468067467.db2.gz WBXZGEIWXKDATL-XJKSGUPXSA-N 1 0 334.420 2.194 20 5 EEBDRO C[NH+]1CCC(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000517677374 468092949 /nfs/dbraw/zinc/09/29/49/468092949.db2.gz AALGSMDMBQJFIZ-UHFFFAOYSA-N 1 0 348.447 2.181 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532057188 468093635 /nfs/dbraw/zinc/09/36/35/468093635.db2.gz HOHWRLBIPWXTJY-OAHLLOKOSA-N 1 0 349.431 2.240 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](NC[C@@H](O)C[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000568043796 468262725 /nfs/dbraw/zinc/26/27/25/468262725.db2.gz VGYGJVPTCADFPK-KGLIPLIRSA-N 1 0 347.337 2.245 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590541085 468268935 /nfs/dbraw/zinc/26/89/35/468268935.db2.gz BYBSJGLIIBJMFV-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201692 468511281 /nfs/dbraw/zinc/51/12/81/468511281.db2.gz PGPZXFMAUZPWKO-QWHCGFSZSA-N 1 0 347.371 2.070 20 5 EEBDRO CCOC(=O)Cc1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000591909854 468562863 /nfs/dbraw/zinc/56/28/63/468562863.db2.gz YUKOSYNKGFATNX-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000597666663 468631080 /nfs/dbraw/zinc/63/10/80/468631080.db2.gz KLYCJJSPNYTXII-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000557982267 468660391 /nfs/dbraw/zinc/66/03/91/468660391.db2.gz PSACBTJNUUDUQA-UHFFFAOYSA-N 1 0 337.424 2.073 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570693988 468678966 /nfs/dbraw/zinc/67/89/66/468678966.db2.gz RTQLAFTUQXVBPG-CABCVRRESA-N 1 0 332.404 2.126 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1OC ZINC000592356674 468682214 /nfs/dbraw/zinc/68/22/14/468682214.db2.gz DLDNTULWDFUOLX-JTQLQIEISA-N 1 0 334.332 2.477 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000592428582 468695405 /nfs/dbraw/zinc/69/54/05/468695405.db2.gz BHGILYKOFYCTBG-SJKOYZFVSA-N 1 0 331.372 2.403 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000592428749 468695560 /nfs/dbraw/zinc/69/55/60/468695560.db2.gz TVZLVXAAPOWCOD-XHDPSFHLSA-N 1 0 348.428 2.266 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000592428842 468696479 /nfs/dbraw/zinc/69/64/79/468696479.db2.gz ZXNGDQRQYKLTND-PXAZEXFGSA-N 1 0 331.372 2.403 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592466513 468703829 /nfs/dbraw/zinc/70/38/29/468703829.db2.gz MBEGUMBSHRQGOC-OAHLLOKOSA-N 1 0 346.431 2.070 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(CN(C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000592471192 468705087 /nfs/dbraw/zinc/70/50/87/468705087.db2.gz IBWXFHFZXJKNGI-UHFFFAOYSA-N 1 0 343.387 2.361 20 5 EEBDRO CC(C)[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]1 ZINC000592485252 468708255 /nfs/dbraw/zinc/70/82/55/468708255.db2.gz UITMNECBYYVSEL-CQSZACIVSA-N 1 0 331.376 2.075 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000559259033 468734124 /nfs/dbraw/zinc/73/41/24/468734124.db2.gz QHHBCKLWWVYHOG-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000595011417 468742828 /nfs/dbraw/zinc/74/28/28/468742828.db2.gz DSIQYQQVAYEZMM-JSGCOSHPSA-N 1 0 326.393 2.288 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000601113504 468745263 /nfs/dbraw/zinc/74/52/63/468745263.db2.gz HKFXVKFAAOZCQQ-QZTJIDSGSA-N 1 0 342.399 2.178 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000595046576 468748284 /nfs/dbraw/zinc/74/82/84/468748284.db2.gz AVFXHQGGGHMHMW-NEPJUHHUSA-N 1 0 342.417 2.079 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000595102740 468758834 /nfs/dbraw/zinc/75/88/34/468758834.db2.gz LNYXJLKEYHSHMY-RHSMWYFYSA-N 1 0 331.416 2.425 20 5 EEBDRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000601240737 468794573 /nfs/dbraw/zinc/79/45/73/468794573.db2.gz PFZVYWOOACEJJB-OAHLLOKOSA-N 1 0 342.399 2.246 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504194 468879786 /nfs/dbraw/zinc/87/97/86/468879786.db2.gz FYKMOGKAEUFTSQ-KDOFPFPSSA-N 1 0 346.431 2.340 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595522830 468887350 /nfs/dbraw/zinc/88/73/50/468887350.db2.gz OKXMRACSCMIZNM-UHFFFAOYSA-N 1 0 338.427 2.240 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000595531297 468890256 /nfs/dbraw/zinc/89/02/56/468890256.db2.gz WEGLXXRHPAOJGF-ZIAGYGMSSA-N 1 0 345.355 2.280 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000598537710 468905716 /nfs/dbraw/zinc/90/57/16/468905716.db2.gz NOWGLYYRTGQBMJ-UHFFFAOYSA-N 1 0 347.415 2.212 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601559497 468918321 /nfs/dbraw/zinc/91/83/21/468918321.db2.gz KTTDHRYFLDNISE-DTORHVGOSA-N 1 0 342.302 2.164 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647015 468943566 /nfs/dbraw/zinc/94/35/66/468943566.db2.gz BOTGSENXRVVLIG-OCCSQVGLSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598652435 468946230 /nfs/dbraw/zinc/94/62/30/468946230.db2.gz YZPZEHXBXIDGLP-TZMCWYRMSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595672346 468948565 /nfs/dbraw/zinc/94/85/65/468948565.db2.gz ICBSKGXPPJQNHC-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680827 468957885 /nfs/dbraw/zinc/95/78/85/468957885.db2.gz DRFANFHOLXZVPU-SUMWQHHRSA-N 1 0 332.404 2.045 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000602654177 468990967 /nfs/dbraw/zinc/99/09/67/468990967.db2.gz PPBUFCQFDYQKFV-WBVHZDCISA-N 1 0 334.416 2.295 20 5 EEBDRO C[NH+](C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCO1 ZINC000602655955 468991925 /nfs/dbraw/zinc/99/19/25/468991925.db2.gz IVJQJRDLFPETPK-CQSZACIVSA-N 1 0 348.403 2.279 20 5 EEBDRO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704622 469021503 /nfs/dbraw/zinc/02/15/03/469021503.db2.gz BKOTWSYVHUAWCN-OAHLLOKOSA-N 1 0 347.463 2.421 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000610666270 469030137 /nfs/dbraw/zinc/03/01/37/469030137.db2.gz KHCFWPXEOONZKQ-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000602775906 469066217 /nfs/dbraw/zinc/06/62/17/469066217.db2.gz CUIXQBPMQYPGCV-QGZVFWFLSA-N 1 0 344.415 2.472 20 5 EEBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)cc1 ZINC000601881148 469075436 /nfs/dbraw/zinc/07/54/36/469075436.db2.gz SIIZYOHEDFTPHT-AWEZNQCLSA-N 1 0 328.372 2.236 20 5 EEBDRO CCN1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000593689075 469096670 /nfs/dbraw/zinc/09/66/70/469096670.db2.gz PTIWNEICHPTUHK-JTQLQIEISA-N 1 0 343.330 2.154 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000593729205 469111649 /nfs/dbraw/zinc/11/16/49/469111649.db2.gz QVKLHUZDONNFNX-GFCCVEGCSA-N 1 0 335.379 2.219 20 5 EEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[NH2+]1 ZINC000596017037 469119701 /nfs/dbraw/zinc/11/97/01/469119701.db2.gz ZWDFIUBPMMFIGN-VXGBXAGGSA-N 1 0 338.383 2.123 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000599102936 469120660 /nfs/dbraw/zinc/12/06/60/469120660.db2.gz HBIGMAQLHAUERN-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000562987945 469124792 /nfs/dbraw/zinc/12/47/92/469124792.db2.gz VPGVEYVCODYINJ-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO NC(=O)c1cc(N2CCC(C[NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596099769 469154653 /nfs/dbraw/zinc/15/46/53/469154653.db2.gz XCCWAYPSPBTKNU-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO COc1ccc(OCC[NH+]2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611177227 469183261 /nfs/dbraw/zinc/18/32/61/469183261.db2.gz CRVXUOSSJGCTJG-UHFFFAOYSA-N 1 0 336.388 2.485 20 5 EEBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000611197708 469189747 /nfs/dbraw/zinc/18/97/47/469189747.db2.gz ZCUYOWUWJVQDAP-UHFFFAOYSA-N 1 0 344.371 2.132 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602549672 469357674 /nfs/dbraw/zinc/35/76/74/469357674.db2.gz JQMOGZDZAZSIHS-IUCAKERBSA-N 1 0 349.284 2.333 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604533310 469488283 /nfs/dbraw/zinc/48/82/83/469488283.db2.gz RVXWDVLSYJTZPF-AWEZNQCLSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000609843376 469965137 /nfs/dbraw/zinc/96/51/37/469965137.db2.gz APOWSAHXVDYXHO-LLVKDONJSA-N 1 0 336.392 2.455 20 5 EEBDRO COc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000602540442 485642961 /nfs/dbraw/zinc/64/29/61/485642961.db2.gz QDNFXFYIAYGNBZ-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO CC(C)(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000131138518 526280940 /nfs/dbraw/zinc/28/09/40/526280940.db2.gz QTTOJBCKMJCHNR-UHFFFAOYSA-N 1 0 346.387 2.378 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181235929 527985945 /nfs/dbraw/zinc/98/59/45/527985945.db2.gz QOZRJAMSMONVDC-CYBMUJFWSA-N 1 0 334.420 2.275 20 5 EEBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000456318990 536139677 /nfs/dbraw/zinc/13/96/77/536139677.db2.gz NNVSJYXJTWLWCB-AWEZNQCLSA-N 1 0 342.355 2.497 20 5 EEBDRO CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451561589 536747756 /nfs/dbraw/zinc/74/77/56/536747756.db2.gz IUSODQVMMMENEN-WFASDCNBSA-N 1 0 349.387 2.250 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000776770149 577467584 /nfs/dbraw/zinc/46/75/84/577467584.db2.gz NLUHJUPEOISUQM-INIZCTEOSA-N 1 0 345.403 2.496 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000765424134 577500776 /nfs/dbraw/zinc/50/07/76/577500776.db2.gz BSDKRQDNEUYHAN-CHWSQXEVSA-N 1 0 341.408 2.160 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1C ZINC000765637136 577504322 /nfs/dbraw/zinc/50/43/22/577504322.db2.gz SWAOJSDTNQMZFL-NWDGAFQWSA-N 1 0 332.404 2.398 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H](O)C1CC1 ZINC000764282780 577733753 /nfs/dbraw/zinc/73/37/53/577733753.db2.gz MAICZUSEGOFZCJ-YMTOWFKASA-N 1 0 341.795 2.278 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750860361 577743877 /nfs/dbraw/zinc/74/38/77/577743877.db2.gz WPDDTTOPEWGQMZ-UHFFFAOYSA-N 1 0 334.420 2.460 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000749637762 577979274 /nfs/dbraw/zinc/97/92/74/577979274.db2.gz DNXHVMODVNCHIV-HNNXBMFYSA-N 1 0 330.340 2.189 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962352 577984814 /nfs/dbraw/zinc/98/48/14/577984814.db2.gz VWUPJEZOEYWZEI-AWEZNQCLSA-N 1 0 346.435 2.269 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000823648041 606424642 /nfs/dbraw/zinc/42/46/42/606424642.db2.gz SGZRJZYSHWQDOJ-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)(C(F)(F)F)CC1 ZINC000891206332 676171197 /nfs/dbraw/zinc/17/11/97/676171197.db2.gz LUALJKXWXXFPSX-UHFFFAOYSA-N 1 0 335.282 2.334 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000890880309 675693863 /nfs/dbraw/zinc/69/38/63/675693863.db2.gz ZXTNZXZIAFQROK-UHFFFAOYSA-N 1 0 325.384 2.323 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000890879982 675693953 /nfs/dbraw/zinc/69/39/53/675693953.db2.gz MHAXINVVYRZOCB-UHFFFAOYSA-N 1 0 325.384 2.323 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890881885 675694371 /nfs/dbraw/zinc/69/43/71/675694371.db2.gz LMVSCRNXCPFOHG-UHFFFAOYSA-N 1 0 325.413 2.101 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000892465810 679890424 /nfs/dbraw/zinc/89/04/24/679890424.db2.gz HHBSOWDHEKBHSR-UHFFFAOYSA-N 1 0 345.403 2.415 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892536309 681625915 /nfs/dbraw/zinc/62/59/15/681625915.db2.gz DAKWBHCTZWDDQJ-KRWDZBQOSA-N 1 0 332.404 2.188 20 5 EEBDRO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)o1 ZINC001025665437 683227275 /nfs/dbraw/zinc/22/72/75/683227275.db2.gz TYTJLTIXBQFHSD-HALDLXJZSA-N 1 0 341.367 2.356 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001020065059 683538235 /nfs/dbraw/zinc/53/82/35/683538235.db2.gz QMZMNYWPXKRMAA-SHTZXODSSA-N 1 0 344.346 2.180 20 5 EEBDRO CC(=O)OC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000153220994 683897716 /nfs/dbraw/zinc/89/77/16/683897716.db2.gz QXSZUTICIFCMQU-GFCCVEGCSA-N 1 0 349.387 2.258 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CCN(Cc4cn[nH]c4)CC3)sc2c1 ZINC000895960130 684784551 /nfs/dbraw/zinc/78/45/51/684784551.db2.gz NCMNZUICSZOWGZ-UHFFFAOYSA-N 1 0 344.400 2.250 20 5 EEBDRO O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000985139694 685842873 /nfs/dbraw/zinc/84/28/73/685842873.db2.gz JFFNMWYXKJOYRE-KOMQPUFPSA-N 1 0 342.399 2.150 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC000909614736 687136625 /nfs/dbraw/zinc/13/66/25/687136625.db2.gz YFHUGQXUVHPTIM-UHFFFAOYSA-N 1 0 331.376 2.259 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310745715 687648948 /nfs/dbraw/zinc/64/89/48/687648948.db2.gz GZIAUSBMZCOCQI-PKOBYXMFSA-N 1 0 341.411 2.492 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000990075886 692638022 /nfs/dbraw/zinc/63/80/22/692638022.db2.gz NQAHYCMHFNJVJC-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC(C)(C)C(=O)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990326763 692825791 /nfs/dbraw/zinc/82/57/91/692825791.db2.gz POANEVZECPZSEF-UHFFFAOYSA-N 1 0 347.415 2.291 20 5 EEBDRO CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754045324 1177007880 /nfs/dbraw/zinc/00/78/80/1177007880.db2.gz MHHNUIIGYDATMS-HUUCEWRRSA-N 1 0 325.453 2.306 20 5 EEBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000112333520 1193132103 /nfs/dbraw/zinc/13/21/03/1193132103.db2.gz QKSZDKCTUBOVOR-UHFFFAOYSA-N 1 0 340.380 2.448 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000905617222 1189820545 /nfs/dbraw/zinc/82/05/45/1189820545.db2.gz OOQARHQHELTJBI-INIZCTEOSA-N 1 0 344.367 2.059 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000872030779 1198030888 /nfs/dbraw/zinc/03/08/88/1198030888.db2.gz CDCJHRTXYAHPBF-SNVBAGLBSA-N 1 0 332.447 2.402 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873544978 1198637503 /nfs/dbraw/zinc/63/75/03/1198637503.db2.gz XVNCYZQWIWWICT-UHFFFAOYSA-N 1 0 336.388 2.479 20 5 EEBDRO CSC(C)(C)CC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877037409 1199851228 /nfs/dbraw/zinc/85/12/28/1199851228.db2.gz QCUUTQWCNNOSOL-ZIAGYGMSSA-N 1 0 328.434 2.110 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000877096415 1199861721 /nfs/dbraw/zinc/86/17/21/1199861721.db2.gz GGFSBXVPNCZWIR-ZDUSSCGKSA-N 1 0 334.420 2.250 20 5 EEBDRO C[C@@H](Cc1cccs1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831848 1200136418 /nfs/dbraw/zinc/13/64/18/1200136418.db2.gz AUNFLIOLYIMNNE-IUIKQTSFSA-N 1 0 336.413 2.271 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000878759335 1200659749 /nfs/dbraw/zinc/65/97/49/1200659749.db2.gz QDEMGSGOBUCCKV-RISCZKNCSA-N 1 0 330.344 2.256 20 5 EEBDRO CC(C)[C@@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[NH+](C)C ZINC000813171000 1201140828 /nfs/dbraw/zinc/14/08/28/1201140828.db2.gz BJHSFQUZRDLVNO-IRXDYDNUSA-N 1 0 349.431 2.299 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201459 1201420660 /nfs/dbraw/zinc/42/06/60/1201420660.db2.gz MHIZRBJOIOLXCX-MRXNPFEDSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000866360516 1201500098 /nfs/dbraw/zinc/50/00/98/1201500098.db2.gz XTKTYABGDIZTNR-LBPRGKRZSA-N 1 0 345.374 2.483 20 5 EEBDRO CC(C)(C)SCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944129 1201711576 /nfs/dbraw/zinc/71/15/76/1201711576.db2.gz PRLKAWSDGGFTKD-HNNXBMFYSA-N 1 0 325.434 2.417 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882031627 1201806186 /nfs/dbraw/zinc/80/61/86/1201806186.db2.gz JTIIDMMCQRKGRM-LBPRGKRZSA-N 1 0 332.404 2.383 20 5 EEBDRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153861 1202243576 /nfs/dbraw/zinc/24/35/76/1202243576.db2.gz UEFZCWMEUWLIMX-INIZCTEOSA-N 1 0 333.388 2.092 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886944299 1204166581 /nfs/dbraw/zinc/16/65/81/1204166581.db2.gz OKOISKMGEFBNFB-SNVBAGLBSA-N 1 0 328.319 2.270 20 5 EEBDRO COc1cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])cc1F ZINC000927696972 1206292055 /nfs/dbraw/zinc/29/20/55/1206292055.db2.gz FYCJSGQLZOKTCL-UHFFFAOYSA-N 1 0 348.334 2.134 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000927708610 1206293757 /nfs/dbraw/zinc/29/37/57/1206293757.db2.gz YAVUSQPBCFZLDO-UHFFFAOYSA-N 1 0 346.412 2.464 20 5 EEBDRO CC1CC[NH+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000777799329 1206485179 /nfs/dbraw/zinc/48/51/79/1206485179.db2.gz QZSFAERKMPLLQK-UHFFFAOYSA-N 1 0 349.416 2.061 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704572 1207661069 /nfs/dbraw/zinc/66/10/69/1207661069.db2.gz LIVNTSLRUJVODT-IAGOWNOFSA-N 1 0 331.416 2.499 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000934682771 1208008582 /nfs/dbraw/zinc/00/85/82/1208008582.db2.gz MBXXYEUBENYIAD-AEFFLSMTSA-N 1 0 343.383 2.470 20 5 EEBDRO CC1(Nc2ccccc2[N+](=O)[O-])CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001067263640 1229951277 /nfs/dbraw/zinc/95/12/77/1229951277.db2.gz LDFJRUUANBTWPU-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096036940 1233860790 /nfs/dbraw/zinc/86/07/90/1233860790.db2.gz HHNBFYUBWOPFHL-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO Cc1ccc(N2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001096124680 1235151982 /nfs/dbraw/zinc/15/19/82/1235151982.db2.gz DOEOJNYMDDOHJV-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000902995773 1239291359 /nfs/dbraw/zinc/29/13/59/1239291359.db2.gz FGFGRODIQVLXGJ-NSHDSACASA-N 1 0 325.340 2.366 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341983 1240274113 /nfs/dbraw/zinc/27/41/13/1240274113.db2.gz ABVHYUVQEGJHCO-KGLIPLIRSA-N 1 0 337.420 2.365 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097054147 1243633299 /nfs/dbraw/zinc/63/32/99/1243633299.db2.gz NEFKXDQFZCFCGB-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO CCCN(CCNC(=O)C[N@H+](C)CCC)c1ccc([N+](=O)[O-])cc1 ZINC001101163497 1245470664 /nfs/dbraw/zinc/47/06/64/1245470664.db2.gz SAHUSZRTPWPVQF-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827462664 1248127400 /nfs/dbraw/zinc/12/74/00/1248127400.db2.gz LSVJQAQUMPAETF-PBHICJAKSA-N 1 0 349.431 2.112 20 5 EEBDRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001068499527 1251177747 /nfs/dbraw/zinc/17/77/47/1251177747.db2.gz JCXLTKSNKVHLGK-SAZUREKKSA-N 1 0 346.431 2.243 20 5 EEBDRO CCOCCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199463727 1285666068 /nfs/dbraw/zinc/66/60/68/1285666068.db2.gz QONWUPZNEXGPDP-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000856801402 1293639152 /nfs/dbraw/zinc/63/91/52/1293639152.db2.gz PQDORVRZDRJZBD-KRWDZBQOSA-N 1 0 330.388 2.274 20 5 EEBDRO Cc1nn(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000794664975 1296504794 /nfs/dbraw/zinc/50/47/94/1296504794.db2.gz DNNLZAXTHHILFG-CALCHBBNSA-N 1 0 341.415 2.121 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218036298 1297552302 /nfs/dbraw/zinc/55/23/02/1297552302.db2.gz XAZSYFUBDUJDKI-RDDDGLTNSA-N 1 0 348.140 2.186 20 5 EEBDRO COc1cc(O)cc2oc3cc(O)c(O[C@H]4CC[NH2+]C4)cc3c(=O)c12 ZINC001218180659 1297592459 /nfs/dbraw/zinc/59/24/59/1297592459.db2.gz ADWKIBREXOIEPG-JTQLQIEISA-N 1 0 343.335 2.107 20 5 EEBDRO NC(=[NH2+])NCCCCC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979333 1297890107 /nfs/dbraw/zinc/89/01/07/1297890107.db2.gz DLLGGAFEOZEBGR-UHFFFAOYSA-N 1 0 336.399 2.375 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC001222222767 1299425829 /nfs/dbraw/zinc/42/58/29/1299425829.db2.gz QJCFJDFYJHPPQM-UHFFFAOYSA-N 1 0 327.331 2.188 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234359638 1304897166 /nfs/dbraw/zinc/89/71/66/1304897166.db2.gz IXVZTLRSTFYPJZ-HNNXBMFYSA-N 1 0 335.404 2.293 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(F)cc1I ZINC001234940789 1305056327 /nfs/dbraw/zinc/05/63/27/1305056327.db2.gz KRLOVVOTHMIAHX-MRVPVSSYSA-N 1 0 339.172 2.299 20 5 EEBDRO Cc1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001116529984 1305892327 /nfs/dbraw/zinc/89/23/27/1305892327.db2.gz BCVJMYDTGICZBJ-UHFFFAOYSA-N 1 0 340.339 2.360 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CCCC[NH2+]C2)c1F ZINC001246089374 1310233238 /nfs/dbraw/zinc/23/32/38/1310233238.db2.gz DLBJAPYMTGDUFI-VXGBXAGGSA-N 1 0 325.384 2.405 20 5 EEBDRO COc1ccc(C[C@@H](C)NC2(C(F)(F)F)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246253382 1310267557 /nfs/dbraw/zinc/26/75/57/1310267557.db2.gz LCZZQRJVFDULNU-SECBINFHSA-N 1 0 333.310 2.028 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]([NH3+])C[C@@H](F)C2)c1F ZINC001246576161 1310347481 /nfs/dbraw/zinc/34/74/81/1310347481.db2.gz FHTBVYXPSGFMKL-HBNTYKKESA-N 1 0 329.347 2.045 20 5 EEBDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000839672802 1315230215 /nfs/dbraw/zinc/23/02/15/1315230215.db2.gz ZVYWZYFMUGLFSV-FVQBIDKESA-N 1 0 331.416 2.431 20 5 EEBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000841161504 1315493041 /nfs/dbraw/zinc/49/30/41/1315493041.db2.gz MFSXEMGBKYQDQN-SECBINFHSA-N 1 0 343.181 2.183 20 5 EEBDRO [NH3+]C1(c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)CCC1 ZINC000842615958 1315732854 /nfs/dbraw/zinc/73/28/54/1315732854.db2.gz CGXNHYMADQQECX-GFCCVEGCSA-N 1 0 329.316 2.181 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000843069146 1315835014 /nfs/dbraw/zinc/83/50/14/1315835014.db2.gz NZVDFHCLVDUMAA-RDTXWAMCSA-N 1 0 348.374 2.208 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000843083472 1315837593 /nfs/dbraw/zinc/83/75/93/1315837593.db2.gz IQGHRIMOZHMDMX-CQSZACIVSA-N 1 0 335.385 2.308 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843095207 1315840957 /nfs/dbraw/zinc/84/09/57/1315840957.db2.gz NUBMYGMLIIIUAF-WMZOPIPTSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000843099761 1315841804 /nfs/dbraw/zinc/84/18/04/1315841804.db2.gz FTXYAJNGQFNPRG-DOPJRALCSA-N 1 0 330.384 2.210 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000843109627 1315845353 /nfs/dbraw/zinc/84/53/53/1315845353.db2.gz WJSHMIKLUCIEDR-IRXDYDNUSA-N 1 0 345.399 2.373 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000843121295 1315848169 /nfs/dbraw/zinc/84/81/69/1315848169.db2.gz CFAZITHLJSXJAO-QWRGUYRKSA-N 1 0 346.200 2.489 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC000843125423 1315849392 /nfs/dbraw/zinc/84/93/92/1315849392.db2.gz WDVHLPWQFGXIMU-ZDUSSCGKSA-N 1 0 339.823 2.436 20 5 EEBDRO CC(C)[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]C1 ZINC001249334177 1317056221 /nfs/dbraw/zinc/05/62/21/1317056221.db2.gz ZDIBCRDUYHCMFZ-OAHLLOKOSA-N 1 0 335.339 2.456 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001155256602 1317526464 /nfs/dbraw/zinc/52/64/64/1317526464.db2.gz NPWYNRPVQYUVBZ-VIFPVBQESA-N 1 0 341.327 2.135 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001156001189 1317824750 /nfs/dbraw/zinc/82/47/50/1317824750.db2.gz LFPJWIKABNRGFO-UHFFFAOYSA-N 1 0 328.376 2.046 20 5 EEBDRO COC(=O)C1(Nc2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC[NH2+]CC1 ZINC001156529451 1318056375 /nfs/dbraw/zinc/05/63/75/1318056375.db2.gz SECZLESHIWDNTL-UHFFFAOYSA-N 1 0 344.371 2.159 20 5 EEBDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475740 1318083325 /nfs/dbraw/zinc/08/33/25/1318083325.db2.gz JKCDFUAPTSDKID-AWEZNQCLSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001254570118 1318124733 /nfs/dbraw/zinc/12/47/33/1318124733.db2.gz MYINMTSYFYFDSW-DZGCQCFKSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCOc1ccc3c(c1)OCO3)C2 ZINC001254577681 1318129164 /nfs/dbraw/zinc/12/91/64/1318129164.db2.gz GIGZQCFVSSWADL-CQSZACIVSA-N 1 0 342.351 2.459 20 5 EEBDRO CCC(=O)N1CCC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587674 1318134769 /nfs/dbraw/zinc/13/47/69/1318134769.db2.gz YWOFKKPJNKGFIW-INIZCTEOSA-N 1 0 331.416 2.300 20 5 EEBDRO CC1(N2CCOCC2)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603830 1318139710 /nfs/dbraw/zinc/13/97/10/1318139710.db2.gz RBCBKCAALMURMZ-SFHVURJKSA-N 1 0 345.443 2.249 20 5 EEBDRO CCOC(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611793 1318146161 /nfs/dbraw/zinc/14/61/61/1318146161.db2.gz SYOYEUVXQGUKNK-MRXNPFEDSA-N 1 0 333.388 2.273 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001157759319 1318842032 /nfs/dbraw/zinc/84/20/32/1318842032.db2.gz MHKCPGMZGYJNER-LBPRGKRZSA-N 1 0 333.779 2.498 20 5 EEBDRO Cc1ccc2ccccc2c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767816 1318847703 /nfs/dbraw/zinc/84/77/03/1318847703.db2.gz VTYZYEQZMZXWQL-SJLPKXTDSA-N 1 0 341.411 2.409 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCCc1cn2ccccc2n1 ZINC001158144868 1319041606 /nfs/dbraw/zinc/04/16/06/1319041606.db2.gz IWJWLUFSUPZVPY-UHFFFAOYSA-N 1 0 333.735 2.184 20 5 EEBDRO CCN(c1ncnc2cc(OC)c([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC001158204017 1319076212 /nfs/dbraw/zinc/07/62/12/1319076212.db2.gz DAEBYQROHYJAOC-LLVKDONJSA-N 1 0 331.376 2.125 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2CCO[C@H](C[NH+]3CCCC3)C2)nc1Cl ZINC001158309424 1319164712 /nfs/dbraw/zinc/16/47/12/1319164712.db2.gz KAPPFMRJGLUFQP-GFCCVEGCSA-N 1 0 340.811 2.253 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])O1 ZINC001159243625 1319703223 /nfs/dbraw/zinc/70/32/23/1319703223.db2.gz QQWRGOMKQTYAHO-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO Cc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001159545874 1319873241 /nfs/dbraw/zinc/87/32/41/1319873241.db2.gz DMEWAMAOLSAOIU-UHFFFAOYSA-N 1 0 331.420 2.427 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160195916 1320094885 /nfs/dbraw/zinc/09/48/85/1320094885.db2.gz PJPVCKFBRZCGOF-LBPRGKRZSA-N 1 0 337.339 2.396 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001160198711 1320097089 /nfs/dbraw/zinc/09/70/89/1320097089.db2.gz HGAVNIGLQYQFSV-LBPRGKRZSA-N 1 0 337.339 2.396 20 5 EEBDRO Cc1noc2ccc(CNc3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)cc12 ZINC001160869506 1320298542 /nfs/dbraw/zinc/29/85/42/1320298542.db2.gz UCRPWEDJSRMFFP-UHFFFAOYSA-N 1 0 340.343 2.133 20 5 EEBDRO C[NH+](C)CCNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001161668384 1320580372 /nfs/dbraw/zinc/58/03/72/1320580372.db2.gz HWVMMSCZLSWLBC-UHFFFAOYSA-N 1 0 339.193 2.301 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001162465020 1320864848 /nfs/dbraw/zinc/86/48/48/1320864848.db2.gz BEOUKFIESGCCLO-OCCSQVGLSA-N 1 0 335.404 2.358 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001162732897 1320943447 /nfs/dbraw/zinc/94/34/47/1320943447.db2.gz IEFKAEWKSNWIQB-LLVKDONJSA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163087185 1321031982 /nfs/dbraw/zinc/03/19/82/1321031982.db2.gz HPEMBPKGRACUMT-LLVKDONJSA-N 1 0 346.362 2.463 20 5 EEBDRO COCC(C)(C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163156815 1321053343 /nfs/dbraw/zinc/05/33/43/1321053343.db2.gz FKWROSFZILOZQV-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC001163461006 1321131100 /nfs/dbraw/zinc/13/11/00/1321131100.db2.gz AWJHSSBHTDEDIN-CYBMUJFWSA-N 1 0 330.344 2.197 20 5 EEBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC001163461007 1321131224 /nfs/dbraw/zinc/13/12/24/1321131224.db2.gz AWJHSSBHTDEDIN-ZDUSSCGKSA-N 1 0 330.344 2.197 20 5 EEBDRO CC(C)OCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163699021 1321195966 /nfs/dbraw/zinc/19/59/66/1321195966.db2.gz LPFYRFMPNRMOOD-UHFFFAOYSA-N 1 0 349.431 2.396 20 5 EEBDRO CC(C)(O)CC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001164366133 1321362225 /nfs/dbraw/zinc/36/22/25/1321362225.db2.gz CZQQENQNGNSMLD-UHFFFAOYSA-N 1 0 349.431 2.132 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC001164516647 1321404277 /nfs/dbraw/zinc/40/42/77/1321404277.db2.gz JMFACFIDZYYOAN-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001164517075 1321404533 /nfs/dbraw/zinc/40/45/33/1321404533.db2.gz QPJRCWJGBUKJAG-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO Cc1ccc(-c2ccc(-n3ncc4c3CC[NH2+]C4)nn2)cc1[N+](=O)[O-] ZINC001165219843 1321476070 /nfs/dbraw/zinc/47/60/70/1321476070.db2.gz FNWFJXAXZXLFIN-UHFFFAOYSA-N 1 0 336.355 2.192 20 5 EEBDRO Cc1nc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001166382249 1321709009 /nfs/dbraw/zinc/70/90/09/1321709009.db2.gz CIPXDVZJJKLZID-UHFFFAOYSA-N 1 0 340.181 2.056 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001166702829 1321769888 /nfs/dbraw/zinc/76/98/88/1321769888.db2.gz UCZVVIJMASZVNJ-AWEZNQCLSA-N 1 0 336.355 2.233 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1(C(F)(F)F)CC[NH2+]CC1 ZINC001263088688 1322430973 /nfs/dbraw/zinc/43/09/73/1322430973.db2.gz OVLNSVIIVOLBTQ-UHFFFAOYSA-N 1 0 345.321 2.186 20 5 EEBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001319752272 1332759087 /nfs/dbraw/zinc/75/90/87/1332759087.db2.gz ZJEDTMMLUUIQSF-OAHLLOKOSA-N 1 0 329.404 2.381 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001326074040 1334023359 /nfs/dbraw/zinc/02/33/59/1334023359.db2.gz DSGHYKVUDLEJRZ-QMMMGPOBSA-N 1 0 345.197 2.477 20 5 EEBDRO O=[N+]([O-])c1c(N2CCC[N@@H+](CCO)CC2)cccc1C(F)(F)F ZINC001331112791 1334965523 /nfs/dbraw/zinc/96/55/23/1334965523.db2.gz GTMIBKCLQNAVOA-UHFFFAOYSA-N 1 0 333.310 2.118 20 5 EEBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001331362374 1335002433 /nfs/dbraw/zinc/00/24/33/1335002433.db2.gz WTUORQJSYDKCIE-VUCTXSBTSA-N 1 0 347.415 2.257 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001331973328 1335693146 /nfs/dbraw/zinc/69/31/46/1335693146.db2.gz OUZUOOVHUSVFCB-DOMZBBRYSA-N 1 0 347.394 2.267 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333362033 1336019515 /nfs/dbraw/zinc/01/95/15/1336019515.db2.gz CIBKPHBGQGUJDN-JTQLQIEISA-N 1 0 332.326 2.271 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001335581123 1336397648 /nfs/dbraw/zinc/39/76/48/1336397648.db2.gz BCIIXDZBJBRYHC-UHFFFAOYSA-N 1 0 332.404 2.352 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001338535912 1336873835 /nfs/dbraw/zinc/87/38/35/1336873835.db2.gz WLYPIFUEJIHTOS-TZMCWYRMSA-N 1 0 347.337 2.245 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001345056697 1337422589 /nfs/dbraw/zinc/42/25/89/1337422589.db2.gz VGSJNALZSYOIMJ-LBPRGKRZSA-N 1 0 334.376 2.305 20 5 EEBDRO C[C@@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000847958693 1338402737 /nfs/dbraw/zinc/40/27/37/1338402737.db2.gz MWYUUMUFHBTCBZ-NSHDSACASA-N 1 0 336.344 2.355 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001576487771 1344022539 /nfs/dbraw/zinc/02/25/39/1344022539.db2.gz XQPIAMGBXRCDOL-NSHDSACASA-N 1 0 329.303 2.067 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001577308063 1344126731 /nfs/dbraw/zinc/12/67/31/1344126731.db2.gz KEGKNBCXZVYLKP-OLZOCXBDSA-N 1 0 329.360 2.312 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC001578852932 1344308964 /nfs/dbraw/zinc/30/89/64/1344308964.db2.gz GOGCQMWXIZLARC-LLVKDONJSA-N 1 0 334.376 2.171 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001579576919 1344396865 /nfs/dbraw/zinc/39/68/65/1344396865.db2.gz BYCSPERZGYQBHW-FZKQIMNGSA-N 1 0 347.415 2.113 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001579642391 1344402405 /nfs/dbraw/zinc/40/24/05/1344402405.db2.gz CWQDLQGPWORHGN-ZLDLUXBVSA-N 1 0 334.420 2.289 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590256533 1349233197 /nfs/dbraw/zinc/23/31/97/1349233197.db2.gz GMZCFHYRWSGCQY-LLVKDONJSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1NCC[NH+]1CCCCCC1 ZINC001593467759 1349803803 /nfs/dbraw/zinc/80/38/03/1349803803.db2.gz DNYINJDQPWOSIC-UHFFFAOYSA-N 1 0 349.370 2.202 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1-c1nn[nH]n1 ZINC001593478020 1349810204 /nfs/dbraw/zinc/81/02/04/1349810204.db2.gz OUMCJHSTBYVYPP-HIFRSBDPSA-N 1 0 343.391 2.204 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001605015718 1351055698 /nfs/dbraw/zinc/05/56/98/1351055698.db2.gz ORSHQVRCMCJADG-INIZCTEOSA-N 1 0 346.391 2.166 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594795 1368044444 /nfs/dbraw/zinc/04/44/44/1368044444.db2.gz YCSFPSSGEDABPZ-DRZSPHRISA-N 1 0 341.433 2.183 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000853161677 1369321448 /nfs/dbraw/zinc/32/14/48/1369321448.db2.gz XJFUJVLDNPVRJL-LBPRGKRZSA-N 1 0 340.811 2.120 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000829965334 1372303593 /nfs/dbraw/zinc/30/35/93/1372303593.db2.gz PPABOIJGGICVCP-IRXDYDNUSA-N 1 0 340.383 2.476 20 5 EEBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[nH]n1 ZINC001591968775 1403976687 /nfs/dbraw/zinc/97/66/87/1403976687.db2.gz HPARZMAGKTXHMT-UHFFFAOYSA-N 1 0 338.371 2.416 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104395950 760132811 /nfs/dbraw/zinc/13/28/11/760132811.db2.gz KOXCDHOKPQPXSD-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC001112091873 769532647 /nfs/dbraw/zinc/53/26/47/769532647.db2.gz AFMCOELMLXIQPK-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179547494 774052939 /nfs/dbraw/zinc/05/29/39/774052939.db2.gz NYVAFHXYBPKULW-CYBMUJFWSA-N 1 0 346.387 2.295 20 5 EEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000893603196 774534918 /nfs/dbraw/zinc/53/49/18/774534918.db2.gz UQNGCGABXMACMS-YGRLFVJLSA-N 1 0 338.795 2.094 20 5 EEBDRO O=C(c1cccnc1)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980628341 775012711 /nfs/dbraw/zinc/01/27/11/775012711.db2.gz WJXMARSXISSZHJ-UHFFFAOYSA-N 1 0 340.383 2.338 20 5 EEBDRO CC(C)(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278526 779501604 /nfs/dbraw/zinc/50/16/04/779501604.db2.gz HGNDJIVMVILUPG-DTDBQYNISA-N 1 0 337.464 2.258 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000061031516 790981165 /nfs/dbraw/zinc/98/11/65/790981165.db2.gz BUZRSRLVHIYGGK-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997771972 791043005 /nfs/dbraw/zinc/04/30/05/791043005.db2.gz KDJMXYOWPVBFJU-NVXWUHKLSA-N 1 0 349.406 2.128 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1coc(CC2CC2)n1 ZINC001136035614 785029504 /nfs/dbraw/zinc/02/95/04/785029504.db2.gz BCIOCOYHXDDLAP-UHFFFAOYSA-N 1 0 344.371 2.055 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818613883 785302837 /nfs/dbraw/zinc/30/28/37/785302837.db2.gz HTKYFGMDNKEJLO-UHFFFAOYSA-N 1 0 348.359 2.109 20 5 EEBDRO C[C@@H](COc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818970559 785364992 /nfs/dbraw/zinc/36/49/92/785364992.db2.gz WJVGLHPJURHMQZ-GJZGRUSLSA-N 1 0 346.383 2.392 20 5 EEBDRO COc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819014444 785383134 /nfs/dbraw/zinc/38/31/34/785383134.db2.gz PVNNQIOTHVPGHO-GOEBONIOSA-N 1 0 344.367 2.230 20 5 EEBDRO C[C@@H](O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000819130174 785435923 /nfs/dbraw/zinc/43/59/23/785435923.db2.gz GSLLTBICOMKBDN-CZUORRHYSA-N 1 0 346.383 2.178 20 5 EEBDRO CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000908916465 785833975 /nfs/dbraw/zinc/83/39/75/785833975.db2.gz MQJFNIHHIGGWFZ-UHFFFAOYSA-N 1 0 340.811 2.387 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C[NH+]2CCCC2)c1 ZINC001107201541 786351525 /nfs/dbraw/zinc/35/15/25/786351525.db2.gz ULFVLCVIOMUJTP-IHWYPQMZSA-N 1 0 332.404 2.083 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001107233743 786550867 /nfs/dbraw/zinc/55/08/67/786550867.db2.gz RNDUHESQVYOGPT-AATRIKPKSA-N 1 0 334.420 2.328 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823790718 787946476 /nfs/dbraw/zinc/94/64/76/787946476.db2.gz KIXLCLSPZHCJSI-WTTBNOFXSA-N 1 0 329.400 2.108 20 5 EEBDRO CC[NH+](CC)CC1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825504269 788657234 /nfs/dbraw/zinc/65/72/34/788657234.db2.gz VTPMNNXZPGCBCV-QGZVFWFLSA-N 1 0 349.431 2.209 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923438955 789562651 /nfs/dbraw/zinc/56/26/51/789562651.db2.gz BWWGNKRXDVXHSL-GARJFASQSA-N 1 0 340.811 2.257 20 5 EEBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3c[n+]([O-])ccc3[N+](=O)[O-])c2c1 ZINC001171167572 789627700 /nfs/dbraw/zinc/62/77/00/789627700.db2.gz IERVTUKAZZLTIM-LBPRGKRZSA-N 1 0 326.356 2.370 20 5 EEBDRO O=C(Cc1ccc[nH]1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997339723 789642630 /nfs/dbraw/zinc/64/26/30/789642630.db2.gz SZSXOYIGUKGNIG-UHFFFAOYSA-N 1 0 342.399 2.246 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@]3(O)CCCOC3)CC2)cc1 ZINC000846107596 790052317 /nfs/dbraw/zinc/05/23/17/790052317.db2.gz JVJYHIADLYVBBH-SFHVURJKSA-N 1 0 349.431 2.085 20 5 EEBDRO COc1nc(C)c(N2c3ccccc3OC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171394726 794567387 /nfs/dbraw/zinc/56/73/87/794567387.db2.gz UMTJGAKKGOSRIX-LLVKDONJSA-N 1 0 330.344 2.165 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110148570 795623731 /nfs/dbraw/zinc/62/37/31/795623731.db2.gz JLQWXNVUOTXCQC-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110148778 795631601 /nfs/dbraw/zinc/63/16/01/795631601.db2.gz VVRIQJGEENWRHO-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001110149818 795709904 /nfs/dbraw/zinc/70/99/04/795709904.db2.gz BKSOFLKETMXLPW-UHFFFAOYSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001094471685 796302744 /nfs/dbraw/zinc/30/27/44/796302744.db2.gz LYWQDEKAPWNROX-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094515923 796350807 /nfs/dbraw/zinc/35/08/07/796350807.db2.gz ZYYWYOUWGWKBGS-UHFFFAOYSA-N 1 0 340.399 2.384 20 5 EEBDRO Cc1cc(NCCCNC(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001094621795 796493661 /nfs/dbraw/zinc/49/36/61/796493661.db2.gz GWPXYBDCSRBNHJ-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CN(c3ccncn3)C1)CC2 ZINC001172903458 797130954 /nfs/dbraw/zinc/13/09/54/797130954.db2.gz GCZMDVDKPPXRTO-OAHLLOKOSA-N 1 0 339.399 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCN([C@H]3CCOC3)CC1)CC2 ZINC001172907473 797133608 /nfs/dbraw/zinc/13/36/08/797133608.db2.gz FHKMPCJUPCHGRS-HKUYNNGSSA-N 1 0 345.443 2.249 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3COC3)CC1)CC2 ZINC001172910963 797169819 /nfs/dbraw/zinc/16/98/19/797169819.db2.gz FEGLWNNWAIYQBQ-MRXNPFEDSA-N 1 0 345.443 2.295 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH+](C3CC3)CC2)c1F ZINC001173181764 797279345 /nfs/dbraw/zinc/27/93/45/797279345.db2.gz DQMMTKFZOVXRFA-LBPRGKRZSA-N 1 0 337.395 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@](C)(CO)C2)c1F ZINC001173181402 797279368 /nfs/dbraw/zinc/27/93/68/797279368.db2.gz PNZVMBZHNCAZPM-BDJLRTHQSA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH+](C3CC3)CC2)c1F ZINC001173181750 797279585 /nfs/dbraw/zinc/27/95/85/797279585.db2.gz DQMMTKFZOVXRFA-GFCCVEGCSA-N 1 0 337.395 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2nccn2C)c1F ZINC001173185999 797280049 /nfs/dbraw/zinc/28/00/49/797280049.db2.gz QSVIHDKZHMJZDR-LLVKDONJSA-N 1 0 336.367 2.239 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)c2ccccn2)c1F ZINC001173183713 797280125 /nfs/dbraw/zinc/28/01/25/797280125.db2.gz NGVDSWARQFNRBM-FZMZJTMJSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@@H]2CC[N@H+](C)C2)c1F ZINC001173190513 797281924 /nfs/dbraw/zinc/28/19/24/797281924.db2.gz ULDKJCQHFMWJNS-VXGBXAGGSA-N 1 0 325.384 2.309 20 5 EEBDRO COC(=O)CC[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193151 797282727 /nfs/dbraw/zinc/28/27/27/797282727.db2.gz QUHCYYUFOWTKOX-SNVBAGLBSA-N 1 0 328.340 2.168 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC001173222282 797304042 /nfs/dbraw/zinc/30/40/42/797304042.db2.gz VYPFKZJNKXGQPO-GOEBONIOSA-N 1 0 341.415 2.493 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110193393 798368609 /nfs/dbraw/zinc/36/86/09/798368609.db2.gz CWTYDSLDBDLWGH-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)on1 ZINC001086306357 802704937 /nfs/dbraw/zinc/70/49/37/802704937.db2.gz CCDAMSYYKJUZNF-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001086338460 802779130 /nfs/dbraw/zinc/77/91/30/802779130.db2.gz PKNUZVYOUHBTMJ-KOMQPUFPSA-N 1 0 342.399 2.232 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984273 803548332 /nfs/dbraw/zinc/54/83/32/803548332.db2.gz LPCHEFHRFIHCKR-RFQIPJPRSA-N 1 0 327.425 2.467 20 5 EEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC001168963664 803552044 /nfs/dbraw/zinc/55/20/44/803552044.db2.gz PLQYUNFQWSWCPA-SCRDCRAPSA-N 1 0 326.418 2.186 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC1COC1 ZINC001168972469 803555925 /nfs/dbraw/zinc/55/59/25/803555925.db2.gz NAYYUCNETQJVNK-KGLIPLIRSA-N 1 0 336.388 2.008 20 5 EEBDRO COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168993549 803560714 /nfs/dbraw/zinc/56/07/14/803560714.db2.gz NCMZWTTUIVMPCY-PVAVHDDUSA-N 1 0 333.432 2.305 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169007099 803568363 /nfs/dbraw/zinc/56/83/63/803568363.db2.gz KZYTWYALXMYFFH-RYPNDVFKSA-N 1 0 339.436 2.134 20 5 EEBDRO CCOC(=O)c1ncn2c1cccc2C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008221 803569404 /nfs/dbraw/zinc/56/94/04/803569404.db2.gz SDUMXDGORAVTQO-QWHCGFSZSA-N 1 0 346.387 2.046 20 5 EEBDRO O=C(NC1CCCC1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990388 803573742 /nfs/dbraw/zinc/57/37/42/803573742.db2.gz CEYAJECLFIQJCC-XJKSGUPXSA-N 1 0 338.452 2.138 20 5 EEBDRO COC(=O)c1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036405 803580141 /nfs/dbraw/zinc/58/01/41/803580141.db2.gz FTUDDXFVSDUFDZ-RHSMWYFYSA-N 1 0 347.415 2.041 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)C1 ZINC001169020582 803587877 /nfs/dbraw/zinc/58/78/77/803587877.db2.gz JKCNCBRYRNQLFI-QXDIGNSFSA-N 1 0 338.448 2.480 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001169047041 803592942 /nfs/dbraw/zinc/59/29/42/803592942.db2.gz QJSBBHWQYAQCST-CXAGYDPISA-N 1 0 349.406 2.465 20 5 EEBDRO O=C1N(CC2CC2)CCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169051995 803595926 /nfs/dbraw/zinc/59/59/26/803595926.db2.gz FGJWZJCNDGGGOQ-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO COc1cccc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169051284 803595976 /nfs/dbraw/zinc/59/59/76/803595976.db2.gz CRBXLSRJRMKJLD-ZIAGYGMSSA-N 1 0 335.404 2.379 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)C1 ZINC001169054381 803596464 /nfs/dbraw/zinc/59/64/64/803596464.db2.gz LPVMQKUDXSRIMZ-KGYLQXTDSA-N 1 0 343.225 2.338 20 5 EEBDRO COc1cccc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169054982 803597022 /nfs/dbraw/zinc/59/70/22/803597022.db2.gz OTKAFGNWNGXXDK-UKRRQHHQSA-N 1 0 334.420 2.094 20 5 EEBDRO COc1cc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ccn1 ZINC001169054992 803597069 /nfs/dbraw/zinc/59/70/69/803597069.db2.gz OXRYBAXEQOQZAS-DZGCQCFKSA-N 1 0 334.420 2.094 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2cccnc2)n1 ZINC000788434661 807513270 /nfs/dbraw/zinc/51/32/70/807513270.db2.gz FNYMOAOXJMOZRO-LSDHHAIUSA-N 1 0 331.376 2.339 20 5 EEBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789765791 808171330 /nfs/dbraw/zinc/17/13/30/808171330.db2.gz SOSVJGXTGBWENT-LBPRGKRZSA-N 1 0 327.812 2.401 20 5 EEBDRO CC[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOC1 ZINC000792437790 809747666 /nfs/dbraw/zinc/74/76/66/809747666.db2.gz OSNACXBMGDAAFL-HNNXBMFYSA-N 1 0 325.340 2.221 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCCCC2=O)c([N+](=O)[O-])c1 ZINC001170299266 809870420 /nfs/dbraw/zinc/87/04/20/809870420.db2.gz UHOWOSKSADPXNL-ZDUSSCGKSA-N 1 0 335.404 2.137 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355497 809903051 /nfs/dbraw/zinc/90/30/51/809903051.db2.gz HGKDQGGJVWIOLG-DZGCQCFKSA-N 1 0 347.415 2.231 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000793930259 810594293 /nfs/dbraw/zinc/59/42/93/810594293.db2.gz MZMJWUXLBCZSBJ-UONOGXRCSA-N 1 0 333.388 2.017 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000793933888 810595360 /nfs/dbraw/zinc/59/53/60/810595360.db2.gz WDWUGCFYEHPITK-QWHCGFSZSA-N 1 0 333.388 2.017 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804145 529467685 /nfs/dbraw/zinc/46/76/85/529467685.db2.gz HCJUCNZOSMFILH-MEDUHNTESA-N 1 0 337.424 2.121 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175089426 231381989 /nfs/dbraw/zinc/38/19/89/231381989.db2.gz JDFCPCOTGIDXIM-CHWSQXEVSA-N 1 0 341.433 2.054 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104870009 219428837 /nfs/dbraw/zinc/42/88/37/219428837.db2.gz LFMPWVUNGBWJIJ-UHFFFAOYSA-N 1 0 334.420 2.480 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000183336166 235015469 /nfs/dbraw/zinc/01/54/69/235015469.db2.gz WRVZWFFGDLCBSC-CJNGLKHVSA-N 1 0 337.420 2.423 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000358351327 283174014 /nfs/dbraw/zinc/17/40/14/283174014.db2.gz LWEKNFSXNWSKCN-CQSZACIVSA-N 1 0 336.436 2.268 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245665609 295934710 /nfs/dbraw/zinc/93/47/10/295934710.db2.gz GOQYSHNTQBNZIW-UPJWGTAASA-N 1 0 334.420 2.273 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186808028 236028451 /nfs/dbraw/zinc/02/84/51/236028451.db2.gz HOKOFFUVHQIQTL-HNNXBMFYSA-N 1 0 338.429 2.226 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442774265 242111401 /nfs/dbraw/zinc/11/14/01/242111401.db2.gz DTCIYTVZCDTUEQ-NNQSOWQGSA-N 1 0 343.387 2.360 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229726576 242194351 /nfs/dbraw/zinc/19/43/51/242194351.db2.gz MLAUVZFDFBSZRY-HOCLYGCPSA-N 1 0 332.404 2.017 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236670353 242314950 /nfs/dbraw/zinc/31/49/50/242314950.db2.gz AYJNSFNCEFOZIK-OAHLLOKOSA-N 1 0 346.431 2.298 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000237001405 242443912 /nfs/dbraw/zinc/44/39/12/242443912.db2.gz ZFNMWMWYOHKQRD-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000236884474 242396173 /nfs/dbraw/zinc/39/61/73/242396173.db2.gz AQLYTBMJLCAOCY-UHFFFAOYSA-N 1 0 337.424 2.313 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc([N+](=O)[O-])c1 ZINC000237089764 242476818 /nfs/dbraw/zinc/47/68/18/242476818.db2.gz WFWUDZRBQSDVSU-ONERCXAPSA-N 1 0 347.371 2.241 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451416860 243106308 /nfs/dbraw/zinc/10/63/08/243106308.db2.gz KVIJTQIVFOPCHK-USXIJHARSA-N 1 0 347.415 2.467 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000451469741 243125260 /nfs/dbraw/zinc/12/52/60/243125260.db2.gz MLLYSRYTVLDXSU-IMJJTQAJSA-N 1 0 333.388 2.327 20 5 EEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451634338 243184261 /nfs/dbraw/zinc/18/42/61/243184261.db2.gz UHXBRDKZMSOOMI-WDBKCZKBSA-N 1 0 337.376 2.088 20 5 EEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451788480 243263238 /nfs/dbraw/zinc/26/32/38/243263238.db2.gz KYZIIWNKOAEUPG-KGLIPLIRSA-N 1 0 340.420 2.063 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000077315025 216869183 /nfs/dbraw/zinc/86/91/83/216869183.db2.gz XMOJNPVGTDJFDX-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264957249 247085704 /nfs/dbraw/zinc/08/57/04/247085704.db2.gz YXXTVRDJOKOWGO-AWEZNQCLSA-N 1 0 348.447 2.268 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000265248592 247336991 /nfs/dbraw/zinc/33/69/91/247336991.db2.gz JOAOKYDIPBABSA-CQSZACIVSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000266389758 248277597 /nfs/dbraw/zinc/27/75/97/248277597.db2.gz JPPRIAIAVWOQFC-AWEZNQCLSA-N 1 0 344.415 2.350 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000112583080 220351723 /nfs/dbraw/zinc/35/17/23/220351723.db2.gz NYFFTJZSHRWASX-CQSZACIVSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000269212626 255545981 /nfs/dbraw/zinc/54/59/81/255545981.db2.gz OHWYCVUTUIUYIS-XJKSGUPXSA-N 1 0 346.431 2.394 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000174921380 255847604 /nfs/dbraw/zinc/84/76/04/255847604.db2.gz HDMHYHHMGUVGKL-RYUDHWBXSA-N 1 0 336.392 2.451 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270484137 256140211 /nfs/dbraw/zinc/14/02/11/256140211.db2.gz IUASDGRARHRSCE-WBVHZDCISA-N 1 0 346.431 2.406 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000271067991 256204317 /nfs/dbraw/zinc/20/43/17/256204317.db2.gz DLFZGROERHLTTA-NWDGAFQWSA-N 1 0 342.417 2.079 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)CCOCC(F)(F)F ZINC000271168185 256215456 /nfs/dbraw/zinc/21/54/56/256215456.db2.gz IDOKAAYIVYCSNU-HWKANZROSA-N 1 0 348.321 2.481 20 5 EEBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271725242 256237754 /nfs/dbraw/zinc/23/77/54/256237754.db2.gz RBKVJSUDQHZRTC-CABCVRRESA-N 1 0 326.418 2.083 20 5 EEBDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000276022530 256396250 /nfs/dbraw/zinc/39/62/50/256396250.db2.gz CIVKDBWIHLQNEU-UHFFFAOYSA-N 1 0 343.387 2.416 20 5 EEBDRO CCOc1cc(C[NH+]2CCC(CNC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000276989157 256486801 /nfs/dbraw/zinc/48/68/01/256486801.db2.gz ZQKCWCTZYHLYSC-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111352979 142359874 /nfs/dbraw/zinc/35/98/74/142359874.db2.gz FEUWQSYERCOZGF-AWEZNQCLSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665268 292168050 /nfs/dbraw/zinc/16/80/50/292168050.db2.gz KYJLLNBFQBASAY-LBPRGKRZSA-N 1 0 336.392 2.208 20 5 EEBDRO CCN(CCO)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249068423 160373073 /nfs/dbraw/zinc/37/30/73/160373073.db2.gz ZUXWNENINLTYIE-DOTOQJQBSA-N 1 0 335.448 2.210 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262042331 160435742 /nfs/dbraw/zinc/43/57/42/160435742.db2.gz QHSZJBASNKCUJI-HNNXBMFYSA-N 1 0 341.795 2.214 20 5 EEBDRO O=C1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181172 159193418 /nfs/dbraw/zinc/19/34/18/159193418.db2.gz WPQOUXLCEHVVFB-GOEBONIOSA-N 1 0 329.400 2.269 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106785230 159321733 /nfs/dbraw/zinc/32/17/33/159321733.db2.gz IVRLTZDMKHMEPP-CQSZACIVSA-N 1 0 347.415 2.497 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158539287 159707547 /nfs/dbraw/zinc/70/75/47/159707547.db2.gz DHAWIIKFLODWPL-WFASDCNBSA-N 1 0 343.387 2.028 20 5 EEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000194939569 160202853 /nfs/dbraw/zinc/20/28/53/160202853.db2.gz UHOZRBJXEUECPN-CYBMUJFWSA-N 1 0 331.376 2.423 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000216117495 160215487 /nfs/dbraw/zinc/21/54/87/160215487.db2.gz POXXBGZDVVNMLL-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342761913 161088492 /nfs/dbraw/zinc/08/84/92/161088492.db2.gz UAORBGJDKMUZBZ-KCPJHIHWSA-N 1 0 335.429 2.273 20 5 EEBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000343078027 161101060 /nfs/dbraw/zinc/10/10/60/161101060.db2.gz ZTYLLFOTBHDYCF-ZIAGYGMSSA-N 1 0 335.404 2.353 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344476370 161231307 /nfs/dbraw/zinc/23/13/07/161231307.db2.gz YDQINDOQGADMLC-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000344739578 161241777 /nfs/dbraw/zinc/24/17/77/161241777.db2.gz ZNUUTLLCLNICPJ-OAHLLOKOSA-N 1 0 335.404 2.210 20 5 EEBDRO Cn1cnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000344921572 161256009 /nfs/dbraw/zinc/25/60/09/161256009.db2.gz QUYXFNFCHHHUIB-UHFFFAOYSA-N 1 0 327.344 2.316 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000345542283 161309992 /nfs/dbraw/zinc/30/99/92/161309992.db2.gz QJOFSQUMORFQPZ-CQSZACIVSA-N 1 0 336.436 2.268 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000346672358 161390629 /nfs/dbraw/zinc/39/06/29/161390629.db2.gz UGWFJLLPOZFGFE-TZMCWYRMSA-N 1 0 349.387 2.115 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352574658 162194603 /nfs/dbraw/zinc/19/46/03/162194603.db2.gz IORNMOVYOKYPPF-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736087 163285862 /nfs/dbraw/zinc/28/58/62/163285862.db2.gz WCTMRHSFUMYWTI-GWCFXTLKSA-N 1 0 348.334 2.388 20 5 EEBDRO C[NH+](C)CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000356285074 163392616 /nfs/dbraw/zinc/39/26/16/163392616.db2.gz UNNMGDCVUTWUCW-UHFFFAOYSA-N 1 0 330.388 2.102 20 5 EEBDRO COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256015 164269388 /nfs/dbraw/zinc/26/93/88/164269388.db2.gz XERHTMUGOLZSEZ-UONOGXRCSA-N 1 0 335.404 2.328 20 5 EEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850303 165294730 /nfs/dbraw/zinc/29/47/30/165294730.db2.gz KVMUUJHALBXBDM-LLVKDONJSA-N 1 0 340.374 2.453 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCCn3cccn3)CC2)n1 ZINC000373271191 166857827 /nfs/dbraw/zinc/85/78/27/166857827.db2.gz CREGFGUPJLPYQI-UHFFFAOYSA-N 1 0 332.408 2.495 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1C ZINC000261808234 268672812 /nfs/dbraw/zinc/67/28/12/268672812.db2.gz VNKNKZUIUACSOQ-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000271666530 268849145 /nfs/dbraw/zinc/84/91/45/268849145.db2.gz WFBZYABQVKLAJE-CABCVRRESA-N 1 0 325.434 2.223 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccnc1 ZINC000272668456 269006831 /nfs/dbraw/zinc/00/68/31/269006831.db2.gz IJTHISLSUUACOB-SNVBAGLBSA-N 1 0 344.327 2.008 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272668536 269006876 /nfs/dbraw/zinc/00/68/76/269006876.db2.gz OURAVHZZXJAZOV-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO COc1ccc(OCCN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277280697 269146981 /nfs/dbraw/zinc/14/69/81/269146981.db2.gz SFTQFHIWOMKLHE-CQSZACIVSA-N 1 0 337.420 2.398 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@]3(CCO)CCOC3)o2)c1 ZINC000278492138 269233111 /nfs/dbraw/zinc/23/31/11/269233111.db2.gz LMGLFXALPJBRDJ-QGZVFWFLSA-N 1 0 332.356 2.486 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+]2CCCCC2)c1 ZINC000280862800 269395064 /nfs/dbraw/zinc/39/50/64/269395064.db2.gz BEUJGVWCHCFGBH-UHFFFAOYSA-N 1 0 335.404 2.274 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000361011774 273778845 /nfs/dbraw/zinc/77/88/45/273778845.db2.gz DBEICSIDDSLVTC-OLZOCXBDSA-N 1 0 339.465 2.136 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000269101304 274109867 /nfs/dbraw/zinc/10/98/67/274109867.db2.gz RVOMCYGHAIEDEW-NVXWUHKLSA-N 1 0 342.399 2.285 20 5 EEBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588740 274342862 /nfs/dbraw/zinc/34/28/62/274342862.db2.gz VHNSYPPRKAZYJN-OJLVUWQFSA-N 1 0 333.436 2.347 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371349667 274364665 /nfs/dbraw/zinc/36/46/65/274364665.db2.gz LCLUPJQNMGKYAP-CJNGLKHVSA-N 1 0 336.411 2.196 20 5 EEBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278665991 274385229 /nfs/dbraw/zinc/38/52/29/274385229.db2.gz NRLPJFNDWMFWEX-BZNIZROVSA-N 1 0 349.412 2.348 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000278672429 274386350 /nfs/dbraw/zinc/38/63/50/274386350.db2.gz ODBNRWGAZMMRTM-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279044358 274428556 /nfs/dbraw/zinc/42/85/56/274428556.db2.gz JOWFTEVNXKQXBA-AWEZNQCLSA-N 1 0 326.418 2.342 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235062 274457775 /nfs/dbraw/zinc/45/77/75/274457775.db2.gz JLSONIWPZOABDL-GXFFZTMASA-N 1 0 341.795 2.327 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969925 274922962 /nfs/dbraw/zinc/92/29/62/274922962.db2.gz IJISQSBFAPIQRK-QWHCGFSZSA-N 1 0 326.418 2.379 20 5 EEBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000287183122 274942644 /nfs/dbraw/zinc/94/26/44/274942644.db2.gz LSTVNXBILSRNCK-QMMMGPOBSA-N 1 0 344.209 2.346 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000157827412 274952450 /nfs/dbraw/zinc/95/24/50/274952450.db2.gz MUFVPXYNGVBGBD-PELKAZGASA-N 1 0 342.193 2.215 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000288406284 275055107 /nfs/dbraw/zinc/05/51/07/275055107.db2.gz NBZCLPIGWQPNIP-UHFFFAOYSA-N 1 0 333.388 2.098 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289483888 275120282 /nfs/dbraw/zinc/12/02/82/275120282.db2.gz CCICZSNEARIALO-UONOGXRCSA-N 1 0 334.420 2.210 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290036368 275173340 /nfs/dbraw/zinc/17/33/40/275173340.db2.gz SEWHSVYLEXEIAA-DLBZAZTESA-N 1 0 347.415 2.353 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1OC ZINC000290069866 275176650 /nfs/dbraw/zinc/17/66/50/275176650.db2.gz FZXOLFWCEAAEQD-OBJOEFQTSA-N 1 0 326.418 2.469 20 5 EEBDRO COCCCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000290807570 275241998 /nfs/dbraw/zinc/24/19/98/275241998.db2.gz ASBVLZCSOLSWPW-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290979026 275257451 /nfs/dbraw/zinc/25/74/51/275257451.db2.gz YHZSPBMOZIPYAV-LBPRGKRZSA-N 1 0 345.186 2.458 20 5 EEBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000349939104 278172013 /nfs/dbraw/zinc/17/20/13/278172013.db2.gz RERXZGHBNKUGSJ-CHWSQXEVSA-N 1 0 334.420 2.298 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000345313534 281015242 /nfs/dbraw/zinc/01/52/42/281015242.db2.gz JKIPCELLCJSCTK-INIZCTEOSA-N 1 0 349.431 2.471 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000357857828 281361236 /nfs/dbraw/zinc/36/12/36/281361236.db2.gz GNEJKVOUQIHGHE-IAQYHMDHSA-N 1 0 331.376 2.048 20 5 EEBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000284023571 293017591 /nfs/dbraw/zinc/01/75/91/293017591.db2.gz IWIRKGVTVDAYJV-CXAGYDPISA-N 1 0 336.436 2.184 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000293211627 293152715 /nfs/dbraw/zinc/15/27/15/293152715.db2.gz XQUZWCIJJBPVQF-AWEZNQCLSA-N 1 0 346.431 2.219 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000296815540 294074790 /nfs/dbraw/zinc/07/47/90/294074790.db2.gz FRXPCWGTQLWNLD-LBPRGKRZSA-N 1 0 339.367 2.055 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298367902 294481646 /nfs/dbraw/zinc/48/16/46/294481646.db2.gz TZLWSZJYXQONQY-UHFFFAOYSA-N 1 0 335.404 2.305 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237824631 295231883 /nfs/dbraw/zinc/23/18/83/295231883.db2.gz FZMPQOWAQFTSMG-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000346719208 300914145 /nfs/dbraw/zinc/91/41/45/300914145.db2.gz KVDOYJFIVXNEIY-AWEZNQCLSA-N 1 0 335.404 2.086 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000190083147 301549928 /nfs/dbraw/zinc/54/99/28/301549928.db2.gz HFBQXFWJRZNTSL-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160692730 311357289 /nfs/dbraw/zinc/35/72/89/311357289.db2.gz DCPPNBUXRRDFID-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000161648758 311368620 /nfs/dbraw/zinc/36/86/20/311368620.db2.gz IZSQIAWZRVJRKH-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000332640230 312039052 /nfs/dbraw/zinc/03/90/52/312039052.db2.gz QUGIQVJZUNDCAJ-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO COCC1(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414658070 313057752 /nfs/dbraw/zinc/05/77/52/313057752.db2.gz LBBLOUBXVGKQKG-UHFFFAOYSA-N 1 0 336.392 2.041 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414656104 313057941 /nfs/dbraw/zinc/05/79/41/313057941.db2.gz MJKHDFDXIAIPDV-CHWSQXEVSA-N 1 0 348.403 2.457 20 5 EEBDRO COc1cc(CNC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414895828 313109368 /nfs/dbraw/zinc/10/93/68/313109368.db2.gz ZXJAPHPGXQOLJE-NSHDSACASA-N 1 0 345.346 2.074 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000415502744 313134446 /nfs/dbraw/zinc/13/44/46/313134446.db2.gz NTMFSPRRYGFZSX-ZBFHGGJFSA-N 1 0 348.403 2.263 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415509658 313137472 /nfs/dbraw/zinc/13/74/72/313137472.db2.gz XAVHQVBIHGNMMA-SDDRHHMPSA-N 1 0 334.376 2.113 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CC(F)F)c2ccccc2)c1 ZINC000420993665 314017614 /nfs/dbraw/zinc/01/76/14/314017614.db2.gz MAYZZZNWERNPLQ-ZIAGYGMSSA-N 1 0 340.330 2.138 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000421709461 314147906 /nfs/dbraw/zinc/14/79/06/314147906.db2.gz FJFWKBIMHNWEEP-LBPRGKRZSA-N 1 0 328.372 2.309 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000425511986 314411245 /nfs/dbraw/zinc/41/12/45/314411245.db2.gz XPDQSCSMWKAUSA-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525727068 317070921 /nfs/dbraw/zinc/07/09/21/317070921.db2.gz VWLXCJKFVABVMT-LBPRGKRZSA-N 1 0 349.387 2.127 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000538016948 318031741 /nfs/dbraw/zinc/03/17/41/318031741.db2.gz OICLQHNVKUPYEF-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO CCc1nncn1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000545973075 318237262 /nfs/dbraw/zinc/23/72/62/318237262.db2.gz XCJNZAKRDWDFSP-OAHLLOKOSA-N 1 0 329.404 2.360 20 5 EEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000565005194 319137407 /nfs/dbraw/zinc/13/74/07/319137407.db2.gz RJTGPRUMRNLXPD-YUMQZZPRSA-N 1 0 330.182 2.213 20 5 EEBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCS1 ZINC000566004735 319234118 /nfs/dbraw/zinc/23/41/18/319234118.db2.gz ATLOETQBNZGDRC-IUODEOHRSA-N 1 0 326.418 2.210 20 5 EEBDRO CC(C)c1ccc(C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566063468 319239881 /nfs/dbraw/zinc/23/98/81/319239881.db2.gz WJBAHCISKXJCHC-KSSFIOAISA-N 1 0 346.431 2.496 20 5 EEBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000566673254 319310786 /nfs/dbraw/zinc/31/07/86/319310786.db2.gz GDACHOVNDKTBFJ-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3sc(Cl)cc32)c1 ZINC000567161620 319353587 /nfs/dbraw/zinc/35/35/87/319353587.db2.gz GGFPZKPSSZMEOO-KOLCDFICSA-N 1 0 342.808 2.144 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000567331540 319369737 /nfs/dbraw/zinc/36/97/37/319369737.db2.gz IQRSZAZLBYGFRR-IAQYHMDHSA-N 1 0 336.779 2.083 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOC2CCCCC2)c1 ZINC000567677031 319403518 /nfs/dbraw/zinc/40/35/18/319403518.db2.gz BRPSKCRAOQIXNZ-OAHLLOKOSA-N 1 0 338.404 2.273 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567691981 319405835 /nfs/dbraw/zinc/40/58/35/319405835.db2.gz LGCGDKABPFZTLD-GJZGRUSLSA-N 1 0 346.383 2.392 20 5 EEBDRO C[C@@H](CCc1cccn1C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567690749 319405929 /nfs/dbraw/zinc/40/59/29/319405929.db2.gz INPLEFMCIJDTSQ-WMLDXEAASA-N 1 0 347.415 2.284 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000573843871 319971816 /nfs/dbraw/zinc/97/18/16/319971816.db2.gz CMBNNXRAUICXKB-OLZOCXBDSA-N 1 0 339.417 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000574201123 320004778 /nfs/dbraw/zinc/00/47/78/320004778.db2.gz IMUDJLHVHMXVEB-RHSMWYFYSA-N 1 0 347.415 2.262 20 5 EEBDRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000574380918 320019920 /nfs/dbraw/zinc/01/99/20/320019920.db2.gz KOTAGHDEGXZFKW-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578010801 320288848 /nfs/dbraw/zinc/28/88/48/320288848.db2.gz RQHOJXNCGLAYOE-LBPRGKRZSA-N 1 0 347.371 2.070 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000581860360 324328890 /nfs/dbraw/zinc/32/88/90/324328890.db2.gz NYACYHKPZKOGMP-CHWSQXEVSA-N 1 0 346.330 2.454 20 5 EEBDRO Cc1nc(C)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000583199235 324613938 /nfs/dbraw/zinc/61/39/38/324613938.db2.gz FBBVPSZRBRSSFW-CYBMUJFWSA-N 1 0 337.401 2.198 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCSC1 ZINC000486968236 447826785 /nfs/dbraw/zinc/82/67/85/447826785.db2.gz MMJYNNUTKKPJCT-OAHLLOKOSA-N 1 0 349.416 2.494 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)o1 ZINC000292829133 464355975 /nfs/dbraw/zinc/35/59/75/464355975.db2.gz XRWZKKNGBUIYDJ-OCCSQVGLSA-N 1 0 332.356 2.484 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193305626 465028812 /nfs/dbraw/zinc/02/88/12/465028812.db2.gz USYMRTSEGUVTDM-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1cc(N2C[C@@H](CO)OC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000325751690 465029710 /nfs/dbraw/zinc/02/97/10/465029710.db2.gz BBMYVVQDFACFPF-ZDUSSCGKSA-N 1 0 331.372 2.428 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000326429596 465038136 /nfs/dbraw/zinc/03/81/36/465038136.db2.gz OKGYAZZKDHPFDV-GXTWGEPZSA-N 1 0 332.404 2.193 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000339115866 465092431 /nfs/dbraw/zinc/09/24/31/465092431.db2.gz GFZSFFTUPLAMOZ-ZDUSSCGKSA-N 1 0 331.372 2.454 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165382 465101005 /nfs/dbraw/zinc/10/10/05/465101005.db2.gz KSDVQQWQLCYBCJ-CRAIPNDOSA-N 1 0 347.415 2.277 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351517619 465198382 /nfs/dbraw/zinc/19/83/82/465198382.db2.gz OLLLAFJJGMHRCF-UONOGXRCSA-N 1 0 331.376 2.468 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000355000207 465216773 /nfs/dbraw/zinc/21/67/73/465216773.db2.gz MZQWYTYASMEZJT-NHYWBVRUSA-N 1 0 331.376 2.048 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351616903 465253946 /nfs/dbraw/zinc/25/39/46/465253946.db2.gz BGBADGUBRQNHAF-JSGCOSHPSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341801333 465261335 /nfs/dbraw/zinc/26/13/35/465261335.db2.gz VLRAQTLTJMTWPU-DGCLKSJQSA-N 1 0 328.376 2.214 20 5 EEBDRO O=C(CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000298074988 465294246 /nfs/dbraw/zinc/29/42/46/465294246.db2.gz LJJQZADNQKRDKJ-UHFFFAOYSA-N 1 0 340.383 2.385 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000113197729 462576158 /nfs/dbraw/zinc/57/61/58/462576158.db2.gz SGUGWTKUVWAKNP-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087008053 462582574 /nfs/dbraw/zinc/58/25/74/462582574.db2.gz CPHRVECNZKHWTM-KRWDZBQOSA-N 1 0 349.431 2.000 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127881529 462590829 /nfs/dbraw/zinc/59/08/29/462590829.db2.gz CNDRNVBPMUPZOX-ZDUSSCGKSA-N 1 0 335.404 2.273 20 5 EEBDRO CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775107 462633887 /nfs/dbraw/zinc/63/38/87/462633887.db2.gz KVMKLQPUHQPNNF-HNNXBMFYSA-N 1 0 329.404 2.429 20 5 EEBDRO CCc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000075624499 462741100 /nfs/dbraw/zinc/74/11/00/462741100.db2.gz VNSDAGKZNXGEKZ-GOSISDBHSA-N 1 0 344.415 2.379 20 5 EEBDRO CC(=O)c1ccc(NC2CCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000075669263 462748440 /nfs/dbraw/zinc/74/84/40/462748440.db2.gz ACEJGKIAJTWMSM-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007850967 462754464 /nfs/dbraw/zinc/75/44/64/462754464.db2.gz VUKCFODIXGJVIG-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc2C1 ZINC000090549303 462796327 /nfs/dbraw/zinc/79/63/27/462796327.db2.gz AWQWVYKXRJJLSW-MRXNPFEDSA-N 1 0 327.384 2.246 20 5 EEBDRO Nc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000076268115 462832221 /nfs/dbraw/zinc/83/22/21/462832221.db2.gz LJPPZOGGLAZAPB-UHFFFAOYSA-N 1 0 334.424 2.059 20 5 EEBDRO CCN(c1ccncc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000132378025 462853812 /nfs/dbraw/zinc/85/38/12/462853812.db2.gz URKKMBDYPXEMBQ-UHFFFAOYSA-N 1 0 337.357 2.214 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000133788143 462969721 /nfs/dbraw/zinc/96/97/21/462969721.db2.gz YIZOEEYECVFWFD-LLVKDONJSA-N 1 0 331.376 2.177 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000133787930 462969894 /nfs/dbraw/zinc/96/98/94/462969894.db2.gz YIZOEEYECVFWFD-NSHDSACASA-N 1 0 331.376 2.177 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](CC2CC2)CC1 ZINC000156122753 462981700 /nfs/dbraw/zinc/98/17/00/462981700.db2.gz QOAFFTIEQFJHRA-UHFFFAOYSA-N 1 0 342.399 2.173 20 5 EEBDRO CN(C)c1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534512 463039541 /nfs/dbraw/zinc/03/95/41/463039541.db2.gz GJNLBDLPXPYVDM-NSHDSACASA-N 1 0 348.432 2.199 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000067744367 463046068 /nfs/dbraw/zinc/04/60/68/463046068.db2.gz QTGPLNPUMXUJDP-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026156695 463152411 /nfs/dbraw/zinc/15/24/11/463152411.db2.gz VQFKPAOHPKXJDJ-TXEJJXNPSA-N 1 0 337.376 2.041 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000157827280 463174554 /nfs/dbraw/zinc/17/45/54/463174554.db2.gz MUFVPXYNGVBGBD-PRHODGIISA-N 1 0 342.193 2.215 20 5 EEBDRO Cc1nn(CCC(=O)Nc2cccc(C[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000069444443 463248090 /nfs/dbraw/zinc/24/80/90/463248090.db2.gz XYUQNFAGSMGMAE-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000029373430 463255216 /nfs/dbraw/zinc/25/52/16/463255216.db2.gz LGUBFYFAKXVPOG-UHFFFAOYSA-N 1 0 339.417 2.279 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000142363063 463361478 /nfs/dbraw/zinc/36/14/78/463361478.db2.gz RNPNPTMESZQZGF-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCn1cnnc1C1CC1 ZINC000124280796 463404374 /nfs/dbraw/zinc/40/43/74/463404374.db2.gz TWAFGCXXZLHPQG-UHFFFAOYSA-N 1 0 331.376 2.252 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000081363472 463425117 /nfs/dbraw/zinc/42/51/17/463425117.db2.gz DUGJIFBHXBUXFW-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1O ZINC000105442810 463452386 /nfs/dbraw/zinc/45/23/86/463452386.db2.gz NJVDXOMNZMDXAT-LLVKDONJSA-N 1 0 334.376 2.240 20 5 EEBDRO C[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000124831468 463469506 /nfs/dbraw/zinc/46/95/06/463469506.db2.gz ZKQMYCWDQDQQFW-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000124865118 463474036 /nfs/dbraw/zinc/47/40/36/463474036.db2.gz UHLMPLHIBFDHET-KRWDZBQOSA-N 1 0 343.383 2.394 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139554 463483142 /nfs/dbraw/zinc/48/31/42/463483142.db2.gz MHSRILMXVOGGOZ-RAEVTNRLSA-N 1 0 333.388 2.469 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000125114353 463504155 /nfs/dbraw/zinc/50/41/55/463504155.db2.gz RFQWJXGKCBLZJO-GFCCVEGCSA-N 1 0 336.392 2.080 20 5 EEBDRO CCOc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000162374472 463504744 /nfs/dbraw/zinc/50/47/44/463504744.db2.gz KEHOGIZSTISMGK-QWRGUYRKSA-N 1 0 337.376 2.002 20 5 EEBDRO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085362296 463646492 /nfs/dbraw/zinc/64/64/92/463646492.db2.gz RHOWUIYJANJNLH-CYBMUJFWSA-N 1 0 336.436 2.413 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000043884541 463661056 /nfs/dbraw/zinc/66/10/56/463661056.db2.gz ILCQMJROOCZVSW-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170902717 463737951 /nfs/dbraw/zinc/73/79/51/463737951.db2.gz QJXBMJOTCBKJOK-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000185041604 463740591 /nfs/dbraw/zinc/74/05/91/463740591.db2.gz ONANZYBCDJEJHQ-NEPJUHHUSA-N 1 0 337.401 2.450 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000261606435 463799790 /nfs/dbraw/zinc/79/97/90/463799790.db2.gz APXYIQUJJPHLRX-GFCCVEGCSA-N 1 0 349.778 2.066 20 5 EEBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000287126541 463808127 /nfs/dbraw/zinc/80/81/27/463808127.db2.gz ZMVWAMZBNFOEKI-ZDUSSCGKSA-N 1 0 337.376 2.184 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000553776944 468379153 /nfs/dbraw/zinc/37/91/53/468379153.db2.gz REHQEDDNUJXNDS-DOMZBBRYSA-N 1 0 332.404 2.335 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171655570 463899781 /nfs/dbraw/zinc/89/97/81/463899781.db2.gz BACRFKJYRBQABL-KRWDZBQOSA-N 1 0 346.431 2.407 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277188281 463903331 /nfs/dbraw/zinc/90/33/31/463903331.db2.gz OKPXLXXYGDCWRT-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO C[NH2+]CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000262025772 463928135 /nfs/dbraw/zinc/92/81/35/463928135.db2.gz ZGKBFYLNRFSPGG-UHFFFAOYSA-N 1 0 345.403 2.466 20 5 EEBDRO COc1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262084019 463942965 /nfs/dbraw/zinc/94/29/65/463942965.db2.gz UCEGDLCJTSFCCN-INIZCTEOSA-N 1 0 328.372 2.145 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000269325383 463953334 /nfs/dbraw/zinc/95/33/34/463953334.db2.gz CVVJMCHAWFKDHO-UHFFFAOYSA-N 1 0 337.424 2.245 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCC[NH2+]1 ZINC000178744957 463959612 /nfs/dbraw/zinc/95/96/12/463959612.db2.gz SZCLDPURWJNKHG-AWEZNQCLSA-N 1 0 335.407 2.023 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000186579050 464026658 /nfs/dbraw/zinc/02/66/58/464026658.db2.gz YXCYCZJBSFRVJP-WBVHZDCISA-N 1 0 338.404 2.259 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419490 464077563 /nfs/dbraw/zinc/07/75/63/464077563.db2.gz RRCIHCHYZJCXNV-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000269785287 464093873 /nfs/dbraw/zinc/09/38/73/464093873.db2.gz HQYIJHIGSYTLRZ-YPMHNXCESA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000173044688 464183166 /nfs/dbraw/zinc/18/31/66/464183166.db2.gz MDQKOBQXFBODID-JTQLQIEISA-N 1 0 333.392 2.177 20 5 EEBDRO Cc1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1[N+](=O)[O-] ZINC000173076675 464189113 /nfs/dbraw/zinc/18/91/13/464189113.db2.gz HCDAOQMSZMBHCR-GFCCVEGCSA-N 1 0 348.428 2.152 20 5 EEBDRO C[C@@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000263786243 464190857 /nfs/dbraw/zinc/19/08/57/464190857.db2.gz PKGNTVKMWLWQLD-GFCCVEGCSA-N 1 0 335.404 2.209 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000179875292 464202609 /nfs/dbraw/zinc/20/26/09/464202609.db2.gz AQCWVTZBGXHGKA-OAHLLOKOSA-N 1 0 349.431 2.097 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188254778 464236605 /nfs/dbraw/zinc/23/66/05/464236605.db2.gz AJXVEVVPRGQZRL-UHFFFAOYSA-N 1 0 341.433 2.091 20 5 EEBDRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180421931 464307714 /nfs/dbraw/zinc/30/77/14/464307714.db2.gz KLDDUYPZHDUBEU-GFCCVEGCSA-N 1 0 346.387 2.110 20 5 EEBDRO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000292713121 464315937 /nfs/dbraw/zinc/31/59/37/464315937.db2.gz SUVCCUUUUUMAMV-UHFFFAOYSA-N 1 0 325.384 2.325 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237451008 464322030 /nfs/dbraw/zinc/32/20/30/464322030.db2.gz PRVFETFDKMFQKR-LRDDRELGSA-N 1 0 343.387 2.122 20 5 EEBDRO CCC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000271492917 464322591 /nfs/dbraw/zinc/32/25/91/464322591.db2.gz MADYVUQHEZVCSQ-HNNXBMFYSA-N 1 0 344.433 2.087 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292865775 464370356 /nfs/dbraw/zinc/37/03/56/464370356.db2.gz SLVWIQHRXOEYEX-SFHVURJKSA-N 1 0 344.415 2.402 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294280672 464453815 /nfs/dbraw/zinc/45/38/15/464453815.db2.gz FIZSKABLIGHGBF-OAHLLOKOSA-N 1 0 333.388 2.158 20 5 EEBDRO CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000272107899 464480861 /nfs/dbraw/zinc/48/08/61/464480861.db2.gz NTZCUBGAWVMSMZ-UHFFFAOYSA-N 1 0 327.331 2.239 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175396398 464541068 /nfs/dbraw/zinc/54/10/68/464541068.db2.gz HLHHFCQIRFWVJC-CQSZACIVSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272349191 464573742 /nfs/dbraw/zinc/57/37/42/464573742.db2.gz OGLCVGQCPCFXTA-QMTHXVAHSA-N 1 0 339.342 2.286 20 5 EEBDRO COc1cc(C[NH2+]CC2(C)COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272519207 464641924 /nfs/dbraw/zinc/64/19/24/464641924.db2.gz YDHUTTOJPONJNT-UHFFFAOYSA-N 1 0 346.330 2.373 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568975909 468416252 /nfs/dbraw/zinc/41/62/52/468416252.db2.gz WIMUROAHQAYMIN-SWLSCSKDSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@@H](c1nc(N)nc(Cl)n1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000295153581 464724136 /nfs/dbraw/zinc/72/41/36/464724136.db2.gz GHGIADPLIOAQCU-VIFPVBQESA-N 1 0 336.783 2.251 20 5 EEBDRO CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176231721 464727334 /nfs/dbraw/zinc/72/73/34/464727334.db2.gz XKVOCLZGCNSBPL-UHFFFAOYSA-N 1 0 343.431 2.388 20 5 EEBDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288470 464739457 /nfs/dbraw/zinc/73/94/57/464739457.db2.gz OSYNDPBXHQRDBT-SFDCACGMSA-N 1 0 336.417 2.222 20 5 EEBDRO Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597014777 468417898 /nfs/dbraw/zinc/41/78/98/468417898.db2.gz RWNRFYWHOONOCA-CYBMUJFWSA-N 1 0 342.403 2.287 20 5 EEBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCO[C@H]21 ZINC000265971536 464754579 /nfs/dbraw/zinc/75/45/79/464754579.db2.gz KXMQZLHUOXRRSU-FVQBIDKESA-N 1 0 334.372 2.364 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295258072 464765208 /nfs/dbraw/zinc/76/52/08/464765208.db2.gz GQZYFTKHZGDZHO-LLVKDONJSA-N 1 0 339.367 2.345 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000286024992 464779165 /nfs/dbraw/zinc/77/91/65/464779165.db2.gz GBCGZYVSUQGETG-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266697935 464791438 /nfs/dbraw/zinc/79/14/38/464791438.db2.gz GHPMZPIRZBQXSD-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 ZINC000286133568 464815561 /nfs/dbraw/zinc/81/55/61/464815561.db2.gz VGYAMLKRTDFUIR-IXDOHACOSA-N 1 0 342.399 2.296 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000176857647 464867619 /nfs/dbraw/zinc/86/76/19/464867619.db2.gz ABCBGFMJFRCZRZ-OJXHRBAXSA-N 1 0 335.404 2.081 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192131289 464871794 /nfs/dbraw/zinc/87/17/94/464871794.db2.gz FEUKSIMVLJSMCD-HUUCEWRRSA-N 1 0 338.314 2.189 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000183646962 464890970 /nfs/dbraw/zinc/89/09/70/464890970.db2.gz YOOXVSLCEOPWGX-ZDUSSCGKSA-N 1 0 333.392 2.376 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000183644062 464891277 /nfs/dbraw/zinc/89/12/77/464891277.db2.gz SNGXWKPFFOHYIR-INIZCTEOSA-N 1 0 329.356 2.165 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240477 464987890 /nfs/dbraw/zinc/98/78/90/464987890.db2.gz USSXWZUKSJLVMX-MEBBXXQBSA-N 1 0 337.807 2.390 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593912807 468430348 /nfs/dbraw/zinc/43/03/48/468430348.db2.gz QPWXXUWMQBJICD-GRDNDAEWSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1ccc(NC(=O)[C@@H](C)SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000339742812 465481760 /nfs/dbraw/zinc/48/17/60/465481760.db2.gz NMSSZRHLLOLVDG-SNVBAGLBSA-N 1 0 327.406 2.225 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000348239937 465506598 /nfs/dbraw/zinc/50/65/98/465506598.db2.gz QBDAZZCVJRODPJ-QGZVFWFLSA-N 1 0 349.387 2.394 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299178362 465636650 /nfs/dbraw/zinc/63/66/50/465636650.db2.gz YPXRVWHWOWUABF-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371232648 465659274 /nfs/dbraw/zinc/65/92/74/465659274.db2.gz UANDWEZLESPFNQ-HNNXBMFYSA-N 1 0 348.359 2.107 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000356970565 465668627 /nfs/dbraw/zinc/66/86/27/465668627.db2.gz FRLYRBFDIGKXDC-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000356970567 465668917 /nfs/dbraw/zinc/66/89/17/465668917.db2.gz FRLYRBFDIGKXDC-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344611269 465722090 /nfs/dbraw/zinc/72/20/90/465722090.db2.gz MPZTYVPWCOBFIB-GFCCVEGCSA-N 1 0 337.424 2.121 20 5 EEBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3COC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348640625 465724981 /nfs/dbraw/zinc/72/49/81/465724981.db2.gz HTHJOAVSZMWAKR-HZPDHXFCSA-N 1 0 348.355 2.055 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344640610 465742214 /nfs/dbraw/zinc/74/22/14/465742214.db2.gz ISLJUODNYPLQIQ-OAHLLOKOSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871749 465839156 /nfs/dbraw/zinc/83/91/56/465839156.db2.gz RFTNUXQUXAFJAV-WMLDXEAASA-N 1 0 348.447 2.362 20 5 EEBDRO O=[N+]([O-])c1ccc(OC2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000361309358 465899713 /nfs/dbraw/zinc/89/97/13/465899713.db2.gz OPHQIFKEWBWEGH-UHFFFAOYSA-N 1 0 349.431 2.160 20 5 EEBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548740001 468463041 /nfs/dbraw/zinc/46/30/41/468463041.db2.gz PKDRFNCAAKJMOF-UHFFFAOYSA-N 1 0 329.360 2.209 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000340304801 465974275 /nfs/dbraw/zinc/97/42/75/465974275.db2.gz XCFKFWUKQUEKLS-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000349254830 466039467 /nfs/dbraw/zinc/03/94/67/466039467.db2.gz UVRJVBOFWDXSQC-INIZCTEOSA-N 1 0 335.404 2.168 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000349281212 466049009 /nfs/dbraw/zinc/04/90/09/466049009.db2.gz KALGKIPPDIVABK-HNNXBMFYSA-N 1 0 349.431 2.476 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000346289683 466063990 /nfs/dbraw/zinc/06/39/90/466063990.db2.gz GDPHIGVVPNGMPF-SFHVURJKSA-N 1 0 346.431 2.341 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302897819 466209970 /nfs/dbraw/zinc/20/99/70/466209970.db2.gz RNWNCUFPMRSFNG-CYBMUJFWSA-N 1 0 334.420 2.068 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000303038297 466219038 /nfs/dbraw/zinc/21/90/38/466219038.db2.gz ROJPUZTXEIMYFG-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000331921085 466306039 /nfs/dbraw/zinc/30/60/39/466306039.db2.gz CFFLOKNUZTYIRI-INIZCTEOSA-N 1 0 330.388 2.488 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578251 468486227 /nfs/dbraw/zinc/48/62/27/468486227.db2.gz GSURHVCANYFNRT-GOEBONIOSA-N 1 0 329.404 2.149 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054210 466363786 /nfs/dbraw/zinc/36/37/86/466363786.db2.gz VDWQUEVSBLSTPE-RHSMWYFYSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H]1CSCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070924 466371969 /nfs/dbraw/zinc/37/19/69/466371969.db2.gz WKINXLWQDGBZMO-LLVKDONJSA-N 1 0 337.401 2.330 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332120013 466397888 /nfs/dbraw/zinc/39/78/88/466397888.db2.gz FLXVLUUVSKGKEA-XJKSGUPXSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000332243060 466464726 /nfs/dbraw/zinc/46/47/26/466464726.db2.gz VZQIVCVTXKGYAS-UHFFFAOYSA-N 1 0 343.330 2.364 20 5 EEBDRO CN(CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000347324120 466565340 /nfs/dbraw/zinc/56/53/40/466565340.db2.gz SRHZTAYTXRVGAB-OAHLLOKOSA-N 1 0 346.431 2.164 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000317825107 466583641 /nfs/dbraw/zinc/58/36/41/466583641.db2.gz VURHSNMVIPKBAE-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO CCOc1ccc([C@H](C)NC[C@@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416446 466744072 /nfs/dbraw/zinc/74/40/72/466744072.db2.gz QNELANWWUSJKKL-SUMWQHHRSA-N 1 0 337.420 2.413 20 5 EEBDRO CCc1ccc([C@@H](NC[C@@H]2C[NH2+]CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580228 466777424 /nfs/dbraw/zinc/77/74/24/466777424.db2.gz XKVPUZHCZAHKFQ-WMZOPIPTSA-N 1 0 345.399 2.418 20 5 EEBDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447317 466881998 /nfs/dbraw/zinc/88/19/98/466881998.db2.gz MJHWVSTUDLYZEO-BBRMVZONSA-N 1 0 328.372 2.235 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000417707993 466914352 /nfs/dbraw/zinc/91/43/52/466914352.db2.gz BMCFKLWJLSTRNE-CZUORRHYSA-N 1 0 334.420 2.296 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058702 466988929 /nfs/dbraw/zinc/98/89/29/466988929.db2.gz VODYNRUKNPCFPL-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO COc1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000412098834 467007137 /nfs/dbraw/zinc/00/71/37/467007137.db2.gz YJNOZZFDCHTYBW-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424300879 467024845 /nfs/dbraw/zinc/02/48/45/467024845.db2.gz VBUYUXIVQOSVCY-AFAVFJNCSA-N 1 0 329.404 2.124 20 5 EEBDRO CC(C)(NC(=O)NCCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418634520 467138121 /nfs/dbraw/zinc/13/81/21/467138121.db2.gz FSNBNNANVXNECZ-UHFFFAOYSA-N 1 0 332.404 2.439 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427809903 467179343 /nfs/dbraw/zinc/17/93/43/467179343.db2.gz WPZGQBVJFDUQSO-LBPRGKRZSA-N 1 0 337.424 2.122 20 5 EEBDRO C[NH+]1CCC(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000427966694 467189344 /nfs/dbraw/zinc/18/93/44/467189344.db2.gz SROOZKOILMEFEV-UHFFFAOYSA-N 1 0 333.388 2.048 20 5 EEBDRO CC(C)[N@@H+]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000428244129 467215912 /nfs/dbraw/zinc/21/59/12/467215912.db2.gz ONOBNACBSQFVIB-QGZVFWFLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[N@H+](CCCCNc1c(Br)cncc1[N+](=O)[O-])C1CC1 ZINC000413347301 467221394 /nfs/dbraw/zinc/22/13/94/467221394.db2.gz KTZBNLUKJAISLL-UHFFFAOYSA-N 1 0 343.225 2.461 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420197931 467319895 /nfs/dbraw/zinc/31/98/95/467319895.db2.gz LVTQHVBTGZUJRB-HNNXBMFYSA-N 1 0 348.447 2.229 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420273354 467334574 /nfs/dbraw/zinc/33/45/74/467334574.db2.gz NFVHSUOIJGVMKT-HZMBPMFUSA-N 1 0 340.811 2.388 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420309742 467348737 /nfs/dbraw/zinc/34/87/37/467348737.db2.gz FIPIGDZFEGZBSN-NSHDSACASA-N 1 0 340.811 2.390 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405355651 467481103 /nfs/dbraw/zinc/48/11/03/467481103.db2.gz QSXRGQBMYWEQSS-FZMZJTMJSA-N 1 0 341.433 2.041 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CNCCO3)s2)cc1 ZINC000415093349 467488162 /nfs/dbraw/zinc/48/81/62/467488162.db2.gz HXSGKERSAOCASB-CQSZACIVSA-N 1 0 333.413 2.401 20 5 EEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000431032396 467489049 /nfs/dbraw/zinc/48/90/49/467489049.db2.gz CETPFFYCRPBUNF-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000415113438 467493209 /nfs/dbraw/zinc/49/32/09/467493209.db2.gz UBKOISBOWRXERZ-IRXDYDNUSA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447586424 467587909 /nfs/dbraw/zinc/58/79/09/467587909.db2.gz NSHKSIYZEWLWRK-BSAWIPCISA-N 1 0 328.438 2.022 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454934653 467625078 /nfs/dbraw/zinc/62/50/78/467625078.db2.gz QLBGBERCMXXXPO-GFCCVEGCSA-N 1 0 337.424 2.272 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457132130 467763205 /nfs/dbraw/zinc/76/32/05/467763205.db2.gz UJXZOWVXCAECBS-LBPRGKRZSA-N 1 0 331.376 2.026 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c(OC(F)F)c1 ZINC000450590953 467875817 /nfs/dbraw/zinc/87/58/17/467875817.db2.gz FJFUPPSQXZJRHC-GFCCVEGCSA-N 1 0 345.346 2.455 20 5 EEBDRO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]1OC ZINC000486018819 468011203 /nfs/dbraw/zinc/01/12/03/468011203.db2.gz NLYJPJMYZCQZKZ-BRWVUGGUSA-N 1 0 331.372 2.478 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533453998 468201226 /nfs/dbraw/zinc/20/12/26/468201226.db2.gz FTMRQPUFRLJMPI-DOMZBBRYSA-N 1 0 332.404 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000551040346 468230710 /nfs/dbraw/zinc/23/07/10/468230710.db2.gz YOCPZQDARPKCDY-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO COc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594195744 468508065 /nfs/dbraw/zinc/50/80/65/468508065.db2.gz IOVRLAUNMJFFON-KGLIPLIRSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594201691 468511337 /nfs/dbraw/zinc/51/13/37/468511337.db2.gz PGPZXFMAUZPWKO-OLZOCXBDSA-N 1 0 347.371 2.070 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591749469 468513864 /nfs/dbraw/zinc/51/38/64/468513864.db2.gz QZCNMBQALHBOOH-UKRRQHHQSA-N 1 0 331.372 2.123 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 ZINC000600770814 468652120 /nfs/dbraw/zinc/65/21/20/468652120.db2.gz GKBBRMUMYDDLBQ-SECBINFHSA-N 1 0 346.322 2.120 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCN3)s2)cc1 ZINC000600776060 468654170 /nfs/dbraw/zinc/65/41/70/468654170.db2.gz OIBUVOUKJBHDKA-CYBMUJFWSA-N 1 0 333.413 2.401 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000570661754 468672404 /nfs/dbraw/zinc/67/24/04/468672404.db2.gz JZZJYCOWDLVSBI-LEOMRAHMSA-N 1 0 344.415 2.468 20 5 EEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357195 468682307 /nfs/dbraw/zinc/68/23/07/468682307.db2.gz UMZDCQMWTIQZRW-VHSXEESVSA-N 1 0 335.368 2.007 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597853429 468693708 /nfs/dbraw/zinc/69/37/08/468693708.db2.gz AFNXSHVAGOSADK-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[NH2+]C12CCC2 ZINC000600951569 468694310 /nfs/dbraw/zinc/69/43/10/468694310.db2.gz RYYOREACJAPPPZ-JTQLQIEISA-N 1 0 327.182 2.449 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000592543933 468727485 /nfs/dbraw/zinc/72/74/85/468727485.db2.gz YKCQXYLJEOXMDQ-LSDHHAIUSA-N 1 0 346.431 2.197 20 5 EEBDRO COCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595010509 468742781 /nfs/dbraw/zinc/74/27/81/468742781.db2.gz XCUCENRWCDSEBC-ZDUSSCGKSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCSCC1 ZINC000595019018 468744194 /nfs/dbraw/zinc/74/41/94/468744194.db2.gz PKJABMAMQGKLQY-GFCCVEGCSA-N 1 0 325.434 2.303 20 5 EEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccsc1[N+](=O)[O-] ZINC000601110332 468744474 /nfs/dbraw/zinc/74/44/74/468744474.db2.gz ARWBRDLERKROJD-GFCCVEGCSA-N 1 0 326.422 2.011 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC)CC2)c1 ZINC000583824744 468762405 /nfs/dbraw/zinc/76/24/05/468762405.db2.gz IVUZIFSZHFIJKU-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220048 468797088 /nfs/dbraw/zinc/79/70/88/468797088.db2.gz OJCYUEVDIYTYFG-NSHDSACASA-N 1 0 335.408 2.017 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593058797 468855565 /nfs/dbraw/zinc/85/55/65/468855565.db2.gz OTYUGGPJHRUSHZ-CWRNSKLLSA-N 1 0 338.404 2.224 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595513267 468884274 /nfs/dbraw/zinc/88/42/74/468884274.db2.gz TZSDHNCYDISUFM-UHFFFAOYSA-N 1 0 339.411 2.306 20 5 EEBDRO CNc1c(C(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000598543159 468908099 /nfs/dbraw/zinc/90/80/99/468908099.db2.gz RLBKCELTFRJMTA-UHFFFAOYSA-N 1 0 346.431 2.488 20 5 EEBDRO CNc1c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598562571 468914650 /nfs/dbraw/zinc/91/46/50/468914650.db2.gz WQSOOUDVQCXDPV-AWEZNQCLSA-N 1 0 346.431 2.488 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595595024 468915328 /nfs/dbraw/zinc/91/53/28/468915328.db2.gz AURLPYRWXQILBO-INIZCTEOSA-N 1 0 338.379 2.391 20 5 EEBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595671133 468946932 /nfs/dbraw/zinc/94/69/32/468946932.db2.gz NRXPWXNFBJYZQQ-LRDDRELGSA-N 1 0 336.388 2.444 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595679058 468951480 /nfs/dbraw/zinc/95/14/80/468951480.db2.gz UQZUIOUYHQJMBZ-ZFWWWQNUSA-N 1 0 338.404 2.465 20 5 EEBDRO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000562588008 468999226 /nfs/dbraw/zinc/99/92/26/468999226.db2.gz AOIYQDGSKHUKST-SOUVJXGZSA-N 1 0 338.404 2.002 20 5 EEBDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598991606 469078787 /nfs/dbraw/zinc/07/87/87/469078787.db2.gz NUNHOYUTXGKCEB-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000602796677 469082750 /nfs/dbraw/zinc/08/27/50/469082750.db2.gz YLLOIJRVGBYCRE-MRXNPFEDSA-N 1 0 340.387 2.327 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000562977725 469120572 /nfs/dbraw/zinc/12/05/72/469120572.db2.gz LWADMYHASKALSF-HNNXBMFYSA-N 1 0 348.790 2.373 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593759198 469127049 /nfs/dbraw/zinc/12/70/49/469127049.db2.gz UDCNQBHBBRBYEE-ZENOOKHLSA-N 1 0 348.403 2.345 20 5 EEBDRO CC1(C)C[C@]1(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596070543 469138890 /nfs/dbraw/zinc/13/88/90/469138890.db2.gz RHSKNALFSRMUEM-AEFFLSMTSA-N 1 0 344.415 2.110 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086387 469147182 /nfs/dbraw/zinc/14/71/82/469147182.db2.gz YKVJWFLVINDPEX-XQQFMLRXSA-N 1 0 334.420 2.472 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091487 469151209 /nfs/dbraw/zinc/15/12/09/469151209.db2.gz KXQIWBIWLQXNFY-HNNXBMFYSA-N 1 0 346.431 2.076 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000563126204 469177445 /nfs/dbraw/zinc/17/74/45/469177445.db2.gz RDRVNIMDQHOXLA-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611409103 469242844 /nfs/dbraw/zinc/24/28/44/469242844.db2.gz NPNPBJVMGAZPPP-QMTHXVAHSA-N 1 0 335.360 2.290 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596561740 469301777 /nfs/dbraw/zinc/30/17/77/469301777.db2.gz GVJTZXGFOBWIOU-UHFFFAOYSA-N 1 0 332.404 2.228 20 5 EEBDRO CS(=O)(=O)Cc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602560962 469361313 /nfs/dbraw/zinc/36/13/13/469361313.db2.gz BBFMXZUOFBVADO-UHFFFAOYSA-N 1 0 348.424 2.472 20 5 EEBDRO Cc1cccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603423949 469391330 /nfs/dbraw/zinc/39/13/30/469391330.db2.gz RURQMTSRCZIYJD-MRXNPFEDSA-N 1 0 348.447 2.112 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000616209981 469398652 /nfs/dbraw/zinc/39/86/52/469398652.db2.gz ZDZUBYXCTJAJCC-CQSZACIVSA-N 1 0 334.420 2.433 20 5 EEBDRO COc1ccc(C)cc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603557386 469411890 /nfs/dbraw/zinc/41/18/90/469411890.db2.gz KAGMWVRIICQDBX-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000604544000 469489934 /nfs/dbraw/zinc/48/99/34/469489934.db2.gz HJUBPUROCJDWRM-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO COc1cc(C[NH2+]CC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000617857177 469824102 /nfs/dbraw/zinc/82/41/02/469824102.db2.gz OGZFSYXSZPEQRC-VIFPVBQESA-N 1 0 334.319 2.108 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000609153973 469897369 /nfs/dbraw/zinc/89/73/69/469897369.db2.gz LMJGXIASPXGWCA-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000609599085 469946310 /nfs/dbraw/zinc/94/63/10/469946310.db2.gz KPXHYYFUYKKUDE-INIZCTEOSA-N 1 0 349.431 2.336 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638942451 470334462 /nfs/dbraw/zinc/33/44/62/470334462.db2.gz UVZZKPZCVVZBFH-ZIAGYGMSSA-N 1 0 335.407 2.103 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183362946 533749392 /nfs/dbraw/zinc/74/93/92/533749392.db2.gz SLFSKRVFIWIVQY-RYUDHWBXSA-N 1 0 348.403 2.078 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000178561694 534691670 /nfs/dbraw/zinc/69/16/70/534691670.db2.gz KOBCSNNXJDGOOS-SNVBAGLBSA-N 1 0 332.385 2.139 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000192496887 534888580 /nfs/dbraw/zinc/88/85/80/534888580.db2.gz PLLFADBONLUTKI-NEPJUHHUSA-N 1 0 326.422 2.231 20 5 EEBDRO CC(C)OC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181831995 527804151 /nfs/dbraw/zinc/80/41/51/527804151.db2.gz UIGUZHZBTAXVBX-INIZCTEOSA-N 1 0 346.387 2.464 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000173801364 527836157 /nfs/dbraw/zinc/83/61/57/527836157.db2.gz ZLBOWYNMYYSCTH-AWEZNQCLSA-N 1 0 348.447 2.465 20 5 EEBDRO CCC[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000128981559 528238324 /nfs/dbraw/zinc/23/83/24/528238324.db2.gz YGWMKJMHKLOKMT-UHFFFAOYSA-N 1 0 330.388 2.173 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000153288194 528606090 /nfs/dbraw/zinc/60/60/90/528606090.db2.gz RERQMEHMVPQZHV-VIFPVBQESA-N 1 0 349.309 2.323 20 5 EEBDRO CCOC(=O)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153732342 528683817 /nfs/dbraw/zinc/68/38/17/528683817.db2.gz FNKIFNJOKXPDQE-INIZCTEOSA-N 1 0 336.388 2.293 20 5 EEBDRO Cc1c(NNC(=S)NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000727981570 576465431 /nfs/dbraw/zinc/46/54/31/576465431.db2.gz OFLOOUAXURUZIK-UHFFFAOYSA-N 1 0 339.465 2.282 20 5 EEBDRO COc1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000729327847 576630743 /nfs/dbraw/zinc/63/07/43/576630743.db2.gz BMJALRQYTZBZAY-UHFFFAOYSA-N 1 0 335.404 2.486 20 5 EEBDRO COC(=O)CC1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776592657 577463684 /nfs/dbraw/zinc/46/36/84/577463684.db2.gz XBRMWNZDUDWALV-HNNXBMFYSA-N 1 0 336.388 2.484 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764965894 577491928 /nfs/dbraw/zinc/49/19/28/577491928.db2.gz ZPOJZAVQWFVGBJ-ZDUSSCGKSA-N 1 0 345.403 2.188 20 5 EEBDRO Cc1nn(C[NH+]2CCC(C3OCCO3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765016625 577492902 /nfs/dbraw/zinc/49/29/02/577492902.db2.gz XLUJBAISVBMIRZ-UHFFFAOYSA-N 1 0 346.387 2.295 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000758212648 577618697 /nfs/dbraw/zinc/61/86/97/577618697.db2.gz ZQNMSOIUECHKTN-AWEZNQCLSA-N 1 0 346.431 2.408 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756950458 577853661 /nfs/dbraw/zinc/85/36/61/577853661.db2.gz DSCDUBCDMAEDKD-LLVKDONJSA-N 1 0 340.811 2.389 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962356 577984840 /nfs/dbraw/zinc/98/48/40/577984840.db2.gz VWUPJEZOEYWZEI-CQSZACIVSA-N 1 0 346.435 2.269 20 5 EEBDRO Cc1ncsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021860575 676523102 /nfs/dbraw/zinc/52/31/02/676523102.db2.gz RNPDPOLEQGGMAN-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1c(Br)c(NCC[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165821507 676702609 /nfs/dbraw/zinc/70/26/09/676702609.db2.gz KPHGRIJQDQIHIR-SECBINFHSA-N 1 0 329.198 2.472 20 5 EEBDRO Cc1noc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC001022254363 676769525 /nfs/dbraw/zinc/76/95/25/676769525.db2.gz AWSQCCCNIAALGC-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926300320 677739816 /nfs/dbraw/zinc/73/98/16/677739816.db2.gz BCWOIKMPWAHJEG-LLVKDONJSA-N 1 0 331.294 2.228 20 5 EEBDRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000891980372 677838696 /nfs/dbraw/zinc/83/86/96/677838696.db2.gz FJVBPTQZTPNEEJ-KBPBESRZSA-N 1 0 346.431 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cn4ccnc4s3)C2)nc1 ZINC000892078088 677977549 /nfs/dbraw/zinc/97/75/49/677977549.db2.gz GMHHRAGPHHFFBV-NSHDSACASA-N 1 0 344.400 2.385 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000178764501 678820804 /nfs/dbraw/zinc/82/08/04/678820804.db2.gz MKDKGTWNXNAZGE-ZDUSSCGKSA-N 1 0 332.404 2.067 20 5 EEBDRO COc1c(O)ccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000894604815 682985430 /nfs/dbraw/zinc/98/54/30/682985430.db2.gz GVCQNMQIGSYVAH-OAHLLOKOSA-N 1 0 346.383 2.344 20 5 EEBDRO O=C(C=C1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025733126 683256458 /nfs/dbraw/zinc/25/64/58/683256458.db2.gz FEQYSZQTZIUKFY-VQFNDLOPSA-N 1 0 327.384 2.252 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccns1 ZINC000983795001 683504473 /nfs/dbraw/zinc/50/44/73/683504473.db2.gz HRWKNYSWJWBSCX-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233479 683504995 /nfs/dbraw/zinc/50/49/95/683504995.db2.gz VMJSPZLNSWXMGS-SCZZXKLOSA-N 1 0 342.783 2.483 20 5 EEBDRO CC(C)N(CC[NH+](C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893198721 684117779 /nfs/dbraw/zinc/11/77/79/684117779.db2.gz WSXZRCDXOWIZNJ-UHFFFAOYSA-N 1 0 332.404 2.223 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000895277048 684424769 /nfs/dbraw/zinc/42/47/69/684424769.db2.gz XQBXUCPCVNKLKO-LBPRGKRZSA-N 1 0 344.346 2.480 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000896115739 684840774 /nfs/dbraw/zinc/84/07/74/684840774.db2.gz ILKGWUXKDQAOOK-ZDUSSCGKSA-N 1 0 342.399 2.496 20 5 EEBDRO Cn1cc(C[NH2+]CC[C@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898206097 691894276 /nfs/dbraw/zinc/89/42/76/691894276.db2.gz LQUMSLAXRABVKF-INIZCTEOSA-N 1 0 330.388 2.246 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c[nH]1 ZINC000990276983 692803780 /nfs/dbraw/zinc/80/37/80/692803780.db2.gz MERIJEGTNJOKGS-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677561 1186948757 /nfs/dbraw/zinc/94/87/57/1186948757.db2.gz OVZCUTWZNSWJEW-ZFWWWQNUSA-N 1 0 344.795 2.158 20 5 EEBDRO O=C(COc1ccc2c(c1)C[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000905615538 1189820302 /nfs/dbraw/zinc/82/03/02/1189820302.db2.gz UQUMPSXCARIZIQ-UHFFFAOYSA-N 1 0 339.351 2.166 20 5 EEBDRO C[N@H+](Cc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000905793637 1189919274 /nfs/dbraw/zinc/91/92/74/1189919274.db2.gz YBESBMSHWNQPHF-UHFFFAOYSA-N 1 0 333.392 2.496 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873023390 1198477102 /nfs/dbraw/zinc/47/71/02/1198477102.db2.gz ZXNDIOFOVUBSKN-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO COCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873081176 1198494287 /nfs/dbraw/zinc/49/42/87/1198494287.db2.gz ZYAZAOOCHCPTAH-UHFFFAOYSA-N 1 0 335.404 2.020 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc2c1OCC2 ZINC001134205264 1199384993 /nfs/dbraw/zinc/38/49/93/1199384993.db2.gz ONKMEMGFTKIDJV-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO CC(C)C[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877894444 1200151024 /nfs/dbraw/zinc/15/10/24/1200151024.db2.gz NHHBPVYRKMNJBN-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C)C1 ZINC000889207326 1204587861 /nfs/dbraw/zinc/58/78/61/1204587861.db2.gz ZNIDFHPRBKRURO-ZDUSSCGKSA-N 1 0 342.399 2.496 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931047107 1206602774 /nfs/dbraw/zinc/60/27/74/1206602774.db2.gz XPIUQEQAKLKTFG-GXFFZTMASA-N 1 0 340.811 2.211 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932297957 1207578021 /nfs/dbraw/zinc/57/80/21/1207578021.db2.gz GOOMSVVGNCMAIE-DJIMGWMZSA-N 1 0 329.400 2.299 20 5 EEBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000932447019 1207608829 /nfs/dbraw/zinc/60/88/29/1207608829.db2.gz QNVQDRLBEMFDIQ-UHFFFAOYSA-N 1 0 330.388 2.310 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933798437 1207844146 /nfs/dbraw/zinc/84/41/46/1207844146.db2.gz PGDZUYKYFDFRCH-RRQGHBQHSA-N 1 0 331.416 2.499 20 5 EEBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000933859714 1207854888 /nfs/dbraw/zinc/85/48/88/1207854888.db2.gz NMTPMCVQZGYXMK-UHFFFAOYSA-N 1 0 344.209 2.315 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778261298 1208017384 /nfs/dbraw/zinc/01/73/84/1208017384.db2.gz MGSBOUFPCPEHFL-NSHDSACASA-N 1 0 327.331 2.145 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+]1CCCC1 ZINC000076924411 1209600987 /nfs/dbraw/zinc/60/09/87/1209600987.db2.gz JLHJYMFZJOEXCH-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO CCCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001111310911 1210127959 /nfs/dbraw/zinc/12/79/59/1210127959.db2.gz BGULHKTWEMLIAI-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(CC1CC1)NCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001111311897 1210154226 /nfs/dbraw/zinc/15/42/26/1210154226.db2.gz BYPPWKBNJWDOPP-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000078422748 1210215423 /nfs/dbraw/zinc/21/54/23/1210215423.db2.gz CLPJXODXJNXEKF-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC000957547860 1215200360 /nfs/dbraw/zinc/20/03/60/1215200360.db2.gz SKFFZZWSRZGPCN-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)COC)CC1 ZINC000957654175 1215303878 /nfs/dbraw/zinc/30/38/78/1215303878.db2.gz NUDOQPJRRZFZSG-UHFFFAOYSA-N 1 0 349.431 2.302 20 5 EEBDRO CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713319 1215372717 /nfs/dbraw/zinc/37/27/17/1215372717.db2.gz XPJAUMZHAPVAIF-IAGOWNOFSA-N 1 0 337.464 2.402 20 5 EEBDRO O=C(CC1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020034746 1229451386 /nfs/dbraw/zinc/45/13/86/1229451386.db2.gz RZUGLATUHPXEIS-WKILWMFISA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001045437299 1233744815 /nfs/dbraw/zinc/74/48/15/1233744815.db2.gz MDXOJNWXLLQDOF-IAGOWNOFSA-N 1 0 345.443 2.439 20 5 EEBDRO CC1(NC(=O)c2cnco2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045516502 1233788779 /nfs/dbraw/zinc/78/87/79/1233788779.db2.gz YKJVKFXHAQUFQT-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO C[NH+](C)C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])c2ccccc2O1 ZINC000827095862 1249871065 /nfs/dbraw/zinc/87/10/65/1249871065.db2.gz MNYUSHQPZWTMHQ-ZDUSSCGKSA-N 1 0 335.404 2.178 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903789265 1241968698 /nfs/dbraw/zinc/96/86/98/1241968698.db2.gz VVVZZCYSHCMIJP-WDEREUQCSA-N 1 0 340.221 2.399 20 5 EEBDRO O=C(C1CC1)N1CC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001050396781 1243505238 /nfs/dbraw/zinc/50/52/38/1243505238.db2.gz BCDUCUXMKRDBTN-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101406616 1245777898 /nfs/dbraw/zinc/77/78/98/1245777898.db2.gz YMSBPYWKNAVOBO-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000893321341 1276725669 /nfs/dbraw/zinc/72/56/69/1276725669.db2.gz ZFJVOJQHYHQISE-ZDUSSCGKSA-N 1 0 342.779 2.260 20 5 EEBDRO Nc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000850720358 1277314098 /nfs/dbraw/zinc/31/40/98/1277314098.db2.gz AQKKIRSRAYULJW-AWEZNQCLSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCc3c[nH]cn3)CC2)c1 ZINC001110383532 1279176938 /nfs/dbraw/zinc/17/69/38/1279176938.db2.gz KPRODQRUPSFQJH-UHFFFAOYSA-N 1 0 343.387 2.320 20 5 EEBDRO CCCCOCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199911132 1285900522 /nfs/dbraw/zinc/90/05/22/1285900522.db2.gz IOYHXASOSOVIDX-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO CNC(=O)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000853115757 1292287533 /nfs/dbraw/zinc/28/75/33/1292287533.db2.gz CPGFNJUPNAOLMN-INIZCTEOSA-N 1 0 349.431 2.304 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000113437958 1293253695 /nfs/dbraw/zinc/25/36/95/1293253695.db2.gz NPFNFFBKQGFTSO-CYBMUJFWSA-N 1 0 334.420 2.480 20 5 EEBDRO Cn1nccc1[C@@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801561 1293639099 /nfs/dbraw/zinc/63/90/99/1293639099.db2.gz STGQNXPAAWTCLW-SFHVURJKSA-N 1 0 344.415 2.316 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218033507 1297552653 /nfs/dbraw/zinc/55/26/53/1297552653.db2.gz AIBQDEJTGVJUQB-RDDDGLTNSA-N 1 0 348.140 2.186 20 5 EEBDRO CCCOCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222563849 1299687731 /nfs/dbraw/zinc/68/77/31/1299687731.db2.gz GEYWZKVBDMXNMO-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546157 1301051911 /nfs/dbraw/zinc/05/19/11/1301051911.db2.gz MEAJCBHEDFQYIP-SNVBAGLBSA-N 1 0 333.348 2.066 20 5 EEBDRO Cc1ccc(Br)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225741034 1301142446 /nfs/dbraw/zinc/14/24/46/1301142446.db2.gz NXMPIINUWNFNSV-GFCCVEGCSA-N 1 0 331.230 2.120 20 5 EEBDRO CC(C)[NH+]1CCC(Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227095416 1301685927 /nfs/dbraw/zinc/68/59/27/1301685927.db2.gz IPMAFCYTYAALQL-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO C[NH+](C)CCC(=O)NC1(CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC001103455670 1302986138 /nfs/dbraw/zinc/98/61/38/1302986138.db2.gz KHQBINNVZGADHY-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC001122001838 1310196558 /nfs/dbraw/zinc/19/65/58/1310196558.db2.gz UKSPIARLHJLTHU-VIFPVBQESA-N 1 0 329.809 2.073 20 5 EEBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCc3cccc([N+](=O)[O-])c3)C[N@@H+]2C1 ZINC001123677502 1310672943 /nfs/dbraw/zinc/67/29/43/1310672943.db2.gz KJLHQOZLSCLRLB-FVQBIDKESA-N 1 0 331.416 2.374 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc2[nH]ccc21 ZINC001160741439 1320254642 /nfs/dbraw/zinc/25/46/42/1320254642.db2.gz RFRJKTJSTSSXBN-BDAKNGLRSA-N 1 0 329.282 2.423 20 5 EEBDRO [NH3+]CCCCCCCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000830356214 1314534766 /nfs/dbraw/zinc/53/47/66/1314534766.db2.gz WTPFACKQINCFQB-UHFFFAOYSA-N 1 0 332.198 2.428 20 5 EEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839537572 1315213426 /nfs/dbraw/zinc/21/34/26/1315213426.db2.gz WJZKVJVPGBCBHM-KBRIMQKVSA-N 1 0 331.416 2.200 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839637915 1315224111 /nfs/dbraw/zinc/22/41/11/1315224111.db2.gz ZDJLMXNLPJIPJK-FGTMMUONSA-N 1 0 328.368 2.436 20 5 EEBDRO CO[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000840121484 1315300833 /nfs/dbraw/zinc/30/08/33/1315300833.db2.gz ADNQOQANBZBMKF-WFASDCNBSA-N 1 0 331.376 2.168 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854849 1315624792 /nfs/dbraw/zinc/62/47/92/1315624792.db2.gz FLWCYXCUYQNXNQ-GHMZBOCLSA-N 1 0 326.784 2.317 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000842483085 1315714396 /nfs/dbraw/zinc/71/43/96/1315714396.db2.gz GHAPOLNQIOYLJY-GFCCVEGCSA-N 1 0 349.840 2.208 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000842478462 1315713472 /nfs/dbraw/zinc/71/34/72/1315713472.db2.gz JCVLPNCOLQDMDX-WDEREUQCSA-N 1 0 340.811 2.103 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000843116860 1315846848 /nfs/dbraw/zinc/84/68/48/1315846848.db2.gz IPFQEDOSYLXHQA-IPMKNSEASA-N 1 0 342.395 2.384 20 5 EEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000843151633 1315855580 /nfs/dbraw/zinc/85/55/80/1315855580.db2.gz PERDAHBWYOHDMQ-ZDUSSCGKSA-N 1 0 328.332 2.486 20 5 EEBDRO C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@H]1CCC[NH2+]C1 ZINC000843191304 1315863298 /nfs/dbraw/zinc/86/32/98/1315863298.db2.gz CZDUUAGBRAYYMQ-NEPJUHHUSA-N 1 0 331.376 2.142 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843345851 1315894718 /nfs/dbraw/zinc/89/47/18/1315894718.db2.gz HBPJDUYFOCNIOG-GWCFXTLKSA-N 1 0 340.811 2.388 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000843454056 1315917542 /nfs/dbraw/zinc/91/75/42/1315917542.db2.gz ILWPDWPUEDRMQL-DRZSPHRISA-N 1 0 348.359 2.011 20 5 EEBDRO Cc1ccc(OCC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001150136823 1316173346 /nfs/dbraw/zinc/17/33/46/1316173346.db2.gz ASDLMGMTDFWIIO-UHFFFAOYSA-N 1 0 349.412 2.250 20 5 EEBDRO COCc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001150636338 1316323471 /nfs/dbraw/zinc/32/34/71/1316323471.db2.gz YIRLKGKONNKXOQ-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1csc(C2CC2)n1 ZINC001153401981 1316822665 /nfs/dbraw/zinc/82/26/65/1316822665.db2.gz FZDXHWDSGOTWGU-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO COc1cncc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249279327 1317042450 /nfs/dbraw/zinc/04/24/50/1317042450.db2.gz ZDKXXAXRMMLZHL-CQSZACIVSA-N 1 0 341.327 2.291 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NCC[C@H]3CCOC34C[NH2+]C4)c2c1 ZINC001155478945 1317615118 /nfs/dbraw/zinc/61/51/18/1317615118.db2.gz QAUCKKSEGKBXBF-ZDUSSCGKSA-N 1 0 328.372 2.324 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155595926 1317666118 /nfs/dbraw/zinc/66/61/18/1317666118.db2.gz FFRKCUVZVWSCHY-YVEFUNNKSA-N 1 0 343.387 2.109 20 5 EEBDRO C[C@@]1(O)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1F ZINC001254474204 1318082864 /nfs/dbraw/zinc/08/28/64/1318082864.db2.gz NWKKXQLQZKQMIE-DLBZAZTESA-N 1 0 337.395 2.358 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C(=O)NCc2ccccc21 ZINC001254539991 1318116079 /nfs/dbraw/zinc/11/60/79/1318116079.db2.gz OBUUYGINIVSRLF-YVEFUNNKSA-N 1 0 325.368 2.487 20 5 EEBDRO COc1ccc([C@@H](O)C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577248 1318127840 /nfs/dbraw/zinc/12/78/40/1318127840.db2.gz DTASIGMRMLRTTE-YJBOKZPZSA-N 1 0 328.368 2.394 20 5 EEBDRO CCO[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]2CCCO[C@H]12 ZINC001254596264 1318138982 /nfs/dbraw/zinc/13/89/82/1318138982.db2.gz NEJLEHMENYHARL-MLHJIOFPSA-N 1 0 332.400 2.330 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ns1 ZINC001157208431 1318487957 /nfs/dbraw/zinc/48/79/57/1318487957.db2.gz HGSSFZRJPMHURO-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO COC(=O)c1ccnc(N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001157746147 1318830662 /nfs/dbraw/zinc/83/06/62/1318830662.db2.gz MSWCDVASUILVEP-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001158172528 1319057830 /nfs/dbraw/zinc/05/78/30/1319057830.db2.gz GYDPIWXAABJBMN-RKDXNWHRSA-N 1 0 342.783 2.007 20 5 EEBDRO Cc1ccccc1C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160098344 1320070184 /nfs/dbraw/zinc/07/01/84/1320070184.db2.gz YYAZHDUDKOIIFI-QZTJIDSGSA-N 1 0 343.427 2.299 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CCC[C@@H]3[NH+]3CCOCC3)nc21 ZINC001160726363 1320250323 /nfs/dbraw/zinc/25/03/23/1320250323.db2.gz SFODYGSPCMCRRD-AAEUAGOBSA-N 1 0 331.376 2.136 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC001161186770 1320413388 /nfs/dbraw/zinc/41/33/88/1320413388.db2.gz RPUUCTXZTOLOMA-ZDUSSCGKSA-N 1 0 335.408 2.378 20 5 EEBDRO O=C(CCc1ccncc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001161618179 1320561134 /nfs/dbraw/zinc/56/11/34/1320561134.db2.gz ASQIQQQDFCULJX-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162779388 1320956082 /nfs/dbraw/zinc/95/60/82/1320956082.db2.gz YXNRUEIJYYJKRZ-SECBINFHSA-N 1 0 341.327 2.135 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cn21 ZINC001162965605 1320999254 /nfs/dbraw/zinc/99/92/54/1320999254.db2.gz KWACHOVRVJZWON-AWEZNQCLSA-N 1 0 345.403 2.203 20 5 EEBDRO COCCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163052156 1321023822 /nfs/dbraw/zinc/02/38/22/1321023822.db2.gz PDFJOPOQXRHTFR-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c(C(F)(F)F)c1 ZINC001163090304 1321032794 /nfs/dbraw/zinc/03/27/94/1321032794.db2.gz SUJVENYLVADXAN-SECBINFHSA-N 1 0 346.309 2.189 20 5 EEBDRO COc1cc([N+](=O)[O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC001163285857 1321088368 /nfs/dbraw/zinc/08/83/68/1321088368.db2.gz WYTTVPWFOMAKBM-MEDUHNTESA-N 1 0 339.367 2.313 20 5 EEBDRO O=C(CCc1ccccn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163816011 1321224041 /nfs/dbraw/zinc/22/40/41/1321224041.db2.gz DEFSMCZXYRLNBT-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164062856 1321283490 /nfs/dbraw/zinc/28/34/90/1321283490.db2.gz OJAWVBUZVCBSQT-YUMQZZPRSA-N 1 0 331.829 2.324 20 5 EEBDRO COc1c(F)cc(NCC2([NH+](C)C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC001164213000 1321319792 /nfs/dbraw/zinc/31/97/92/1321319792.db2.gz LQZBMKJLOCIZNW-UHFFFAOYSA-N 1 0 340.399 2.180 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165411373 1321520465 /nfs/dbraw/zinc/52/04/65/1321520465.db2.gz UIRNJVPJLYPMJO-UHFFFAOYSA-N 1 0 332.191 2.127 20 5 EEBDRO C[NH+]1CCN(Cc2ccccc2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203574752 1321915216 /nfs/dbraw/zinc/91/52/16/1321915216.db2.gz JIKFOZUPLZQFSB-UHFFFAOYSA-N 1 0 327.388 2.481 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CCCN2CCSC[C@H]12 ZINC001307208861 1329871630 /nfs/dbraw/zinc/87/16/30/1329871630.db2.gz RYKDIINYJLMVNA-ZWNOBZJWSA-N 1 0 338.389 2.495 20 5 EEBDRO CN1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309924849 1331647775 /nfs/dbraw/zinc/64/77/75/1331647775.db2.gz IMNHRINUQRZDNM-LLVKDONJSA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001319328695 1332685511 /nfs/dbraw/zinc/68/55/11/1332685511.db2.gz PRJXNXMNAHNIFU-IUODEOHRSA-N 1 0 331.376 2.106 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001319328694 1332685639 /nfs/dbraw/zinc/68/56/39/1332685639.db2.gz PRJXNXMNAHNIFU-DOMZBBRYSA-N 1 0 331.376 2.106 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325311968 1333861825 /nfs/dbraw/zinc/86/18/25/1333861825.db2.gz CGQKROSQWJIWGQ-UHFFFAOYSA-N 1 0 332.404 2.270 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325326981 1333864298 /nfs/dbraw/zinc/86/42/98/1333864298.db2.gz RYYYJWNYIZCQTK-NJZAAPMLSA-N 1 0 330.388 2.008 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001331283862 1334990323 /nfs/dbraw/zinc/99/03/23/1334990323.db2.gz VYUSSXGEOUCBQF-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO CCOc1cc(Cn2cc(C[NH2+]CC3CC3)nn2)ccc1[N+](=O)[O-] ZINC001331884260 1335664750 /nfs/dbraw/zinc/66/47/50/1335664750.db2.gz LONXYRWHXAWUPD-UHFFFAOYSA-N 1 0 331.376 2.133 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1-c1nn[nH]n1 ZINC001609600214 1352030479 /nfs/dbraw/zinc/03/04/79/1352030479.db2.gz XCEDVNICFIZYGU-LBPRGKRZSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCC[NH2+]C1CCCCC1 ZINC001609602992 1352032027 /nfs/dbraw/zinc/03/20/27/1352032027.db2.gz SVEPUYZQKUKLTG-UHFFFAOYSA-N 1 0 345.407 2.499 20 5 EEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)N1CC[NH+](C)CC1 ZINC001333361437 1336019893 /nfs/dbraw/zinc/01/98/93/1336019893.db2.gz PEPUXDYDYWMFBK-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001334844271 1336302782 /nfs/dbraw/zinc/30/27/82/1336302782.db2.gz KZYILCILXHEHGQ-ZFWWWQNUSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001336704560 1336583305 /nfs/dbraw/zinc/58/33/05/1336583305.db2.gz VKSIZHWZYZEIRQ-JDFRZJQESA-N 1 0 332.404 2.426 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336721505 1336585543 /nfs/dbraw/zinc/58/55/43/1336585543.db2.gz HWXRQFHJAJJKJA-CYBMUJFWSA-N 1 0 347.327 2.033 20 5 EEBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001338209353 1336816891 /nfs/dbraw/zinc/81/68/91/1336816891.db2.gz IIQWPYUILUMKKT-GFCCVEGCSA-N 1 0 346.391 2.048 20 5 EEBDRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001576016926 1343945945 /nfs/dbraw/zinc/94/59/45/1343945945.db2.gz IJQGLIKRWKEQCG-OCVGTWLNSA-N 1 0 346.431 2.467 20 5 EEBDRO CC1(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C[NH2+]C1 ZINC001576369120 1344007067 /nfs/dbraw/zinc/00/70/67/1344007067.db2.gz XUXKUKQSYPBZQC-UHFFFAOYSA-N 1 0 329.150 2.010 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC001577227936 1344110845 /nfs/dbraw/zinc/11/08/45/1344110845.db2.gz PRLYRAPWNSOKSH-UHFFFAOYSA-N 1 0 343.387 2.124 20 5 EEBDRO COc1cc(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c([N+](=O)[O-])cc1F ZINC001579142204 1344343180 /nfs/dbraw/zinc/34/31/80/1344343180.db2.gz MRFPVTSJQPIRGO-GDBMZVCRSA-N 1 0 337.351 2.005 20 5 EEBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC001579268079 1344361997 /nfs/dbraw/zinc/36/19/97/1344361997.db2.gz KWWLRMGBKRHITI-OAHLLOKOSA-N 1 0 335.404 2.004 20 5 EEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001579623537 1344400633 /nfs/dbraw/zinc/40/06/33/1344400633.db2.gz HTDSCAIXWJAXCQ-DZGCQCFKSA-N 1 0 325.372 2.158 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC001579642871 1344402507 /nfs/dbraw/zinc/40/25/07/1344402507.db2.gz ZUNZKYDYFVLCCD-UHFFFAOYSA-N 1 0 326.356 2.350 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccccc2C[NH3+])c1 ZINC001579733795 1344410240 /nfs/dbraw/zinc/41/02/40/1344410240.db2.gz DHJMVHBNKNELHP-UHFFFAOYSA-N 1 0 343.383 2.447 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001580262166 1344502811 /nfs/dbraw/zinc/50/28/11/1344502811.db2.gz PUTUUGZHKGVUOE-AAEUAGOBSA-N 1 0 349.387 2.003 20 5 EEBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC001580289387 1344506953 /nfs/dbraw/zinc/50/69/53/1344506953.db2.gz JQMFFDGSEBAYCG-INIZCTEOSA-N 1 0 328.372 2.387 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC2(C1)CCC[NH2+]C2 ZINC001580812063 1344562090 /nfs/dbraw/zinc/56/20/90/1344562090.db2.gz OKBZTZGKGKUJCI-UHFFFAOYSA-N 1 0 341.314 2.022 20 5 EEBDRO O=[N+]([O-])c1cnccc1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001580876838 1344567815 /nfs/dbraw/zinc/56/78/15/1344567815.db2.gz XDNAILPYHAUCLF-DZGCQCFKSA-N 1 0 330.363 2.356 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589714199 1349024112 /nfs/dbraw/zinc/02/41/12/1349024112.db2.gz FFCJMDHCGWJVCO-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001590261878 1349238150 /nfs/dbraw/zinc/23/81/50/1349238150.db2.gz ZBFTYKOGMPJCHZ-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590625426 1349379524 /nfs/dbraw/zinc/37/95/24/1349379524.db2.gz ZAWJJFCEXKNVIL-UHFFFAOYSA-N 1 0 345.407 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCCC[NH2+]C1CCCCC1 ZINC001593474695 1349808538 /nfs/dbraw/zinc/80/85/38/1349808538.db2.gz GAJZXFCVCIMNOY-UHFFFAOYSA-N 1 0 345.407 2.499 20 5 EEBDRO COc1cc(C)sc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134752002 1367776821 /nfs/dbraw/zinc/77/68/21/1367776821.db2.gz QOZMJAHTONZVDJ-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCCCCN1CC[NH2+]CC1 ZINC000900358291 1369922447 /nfs/dbraw/zinc/92/24/47/1369922447.db2.gz PPXQMQTYXDSFGS-UHFFFAOYSA-N 1 0 327.816 2.131 20 5 EEBDRO Cc1nc(N[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001103652360 1371046411 /nfs/dbraw/zinc/04/64/11/1371046411.db2.gz BAKXDHMKUPWSCW-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])CC1 ZINC001103652501 1371047435 /nfs/dbraw/zinc/04/74/35/1371047435.db2.gz JIYSABWYOHPRBH-HDJSIYSDSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116039083 1371718572 /nfs/dbraw/zinc/71/85/72/1371718572.db2.gz KQMGLMSIAPFOOR-ZIAGYGMSSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@@H](c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123508545 1372148623 /nfs/dbraw/zinc/14/86/23/1372148623.db2.gz JAAPKSATBANKTF-ZFWWWQNUSA-N 1 0 348.451 2.090 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000848622073 1373161753 /nfs/dbraw/zinc/16/17/53/1373161753.db2.gz QZDNLKOQFKCFPX-SJKOYZFVSA-N 1 0 343.387 2.490 20 5 EEBDRO CC(C)n1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001753067743 1406662376 /nfs/dbraw/zinc/66/23/76/1406662376.db2.gz IPZFAZIDWADIEL-UHFFFAOYSA-N 1 0 345.403 2.234 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001576800762 1403607085 /nfs/dbraw/zinc/60/70/85/1403607085.db2.gz LJMXWEGHESNKEN-QWRGUYRKSA-N 1 0 340.811 2.103 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC001580268425 1403855199 /nfs/dbraw/zinc/85/51/99/1403855199.db2.gz GMVHNLDFJWEJNL-KCJUWKMLSA-N 1 0 332.282 2.196 20 5 EEBDRO [NH3+]CC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(F)F ZINC001580284667 1403857324 /nfs/dbraw/zinc/85/73/24/1403857324.db2.gz NQKKVJAMAASKGJ-SSDOTTSWSA-N 1 0 344.181 2.491 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164664318 719388317 /nfs/dbraw/zinc/38/83/17/719388317.db2.gz AZUGJYIANZJVNH-STQMWFEESA-N 1 0 348.790 2.316 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666616 719401697 /nfs/dbraw/zinc/40/16/97/719401697.db2.gz LKRCLAGLPQIFPM-UONOGXRCSA-N 1 0 348.790 2.316 20 5 EEBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000846649811 790310692 /nfs/dbraw/zinc/31/06/92/790310692.db2.gz NMXBKZLSLXNINL-UHFFFAOYSA-N 1 0 347.293 2.369 20 5 EEBDRO COc1ccccc1[C@@H](C)N(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167106757 757331551 /nfs/dbraw/zinc/33/15/51/757331551.db2.gz HZVFXGPBVBEWCR-LLVKDONJSA-N 1 0 343.387 2.278 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021049889 757654106 /nfs/dbraw/zinc/65/41/06/757654106.db2.gz XUVCMFIHKWXCJI-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO CCc1oncc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167462524 759676684 /nfs/dbraw/zinc/67/66/84/759676684.db2.gz YIUSQHFPGGUATH-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000780868063 760724860 /nfs/dbraw/zinc/72/48/60/760724860.db2.gz QBCKIPMWAJIGIN-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO Cc1ccccc1CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138648 776585980 /nfs/dbraw/zinc/58/59/80/776585980.db2.gz XEHHSRZQXQBPQX-QZTJIDSGSA-N 1 0 345.443 2.127 20 5 EEBDRO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000894084195 780494561 /nfs/dbraw/zinc/49/45/61/780494561.db2.gz RWXWLVBRQFYUNT-CQSZACIVSA-N 1 0 329.404 2.287 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894089852 780511848 /nfs/dbraw/zinc/51/18/48/780511848.db2.gz IHPGLRRLRHPCCQ-CYBMUJFWSA-N 1 0 344.415 2.367 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1c[nH]cc1C1CC1 ZINC001136072473 785099786 /nfs/dbraw/zinc/09/97/86/785099786.db2.gz YBNUJJMUAJQVJG-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO CCOc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000818534458 785274583 /nfs/dbraw/zinc/27/45/83/785274583.db2.gz NVPYLLLDOMLKHE-UHFFFAOYSA-N 1 0 343.383 2.425 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCSC(F)(F)F ZINC000818962726 785329769 /nfs/dbraw/zinc/32/97/69/785329769.db2.gz WVJJYJYCWXGADE-VIFPVBQESA-N 1 0 340.323 2.177 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000818950565 785339740 /nfs/dbraw/zinc/33/97/40/785339740.db2.gz WZSYSOWLLDNITA-ZJUUUORDSA-N 1 0 335.187 2.118 20 5 EEBDRO C[C@H](O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000819130512 785435937 /nfs/dbraw/zinc/43/59/37/785435937.db2.gz IXLOJDNBNXMHEF-SUMWQHHRSA-N 1 0 346.383 2.178 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819275491 785504158 /nfs/dbraw/zinc/50/41/58/785504158.db2.gz VWNBITBAOUKWCD-FZMZJTMJSA-N 1 0 339.392 2.131 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001107232831 786546164 /nfs/dbraw/zinc/54/61/64/786546164.db2.gz JCLJHKAUAIZXLV-WAYWQWQTSA-N 1 0 334.420 2.328 20 5 EEBDRO C[NH+]1CCC(C(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107239307 786591427 /nfs/dbraw/zinc/59/14/27/786591427.db2.gz JWZNZUNUYXRHBU-IHWYPQMZSA-N 1 0 332.404 2.021 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910294316 786653424 /nfs/dbraw/zinc/65/34/24/786653424.db2.gz OYPUAQRNAYEIAC-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO O=C(NCCC[NH+]1CCCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823985174 788009266 /nfs/dbraw/zinc/00/92/66/788009266.db2.gz YXTXFGJCAIJMGV-MRXNPFEDSA-N 1 0 335.404 2.011 20 5 EEBDRO Cc1nocc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996937312 788204712 /nfs/dbraw/zinc/20/47/12/788204712.db2.gz HWHFBJKNKZCUDS-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000825188851 788513632 /nfs/dbraw/zinc/51/36/32/788513632.db2.gz QHXHDZBEDYAALJ-ZIAGYGMSSA-N 1 0 346.431 2.442 20 5 EEBDRO Cc1c[n+]([O-])c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC001171092131 788668536 /nfs/dbraw/zinc/66/85/36/788668536.db2.gz YOJVXJOHKKTVPZ-GFCCVEGCSA-N 1 0 338.367 2.297 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)c1 ZINC000844918224 789460634 /nfs/dbraw/zinc/46/06/34/789460634.db2.gz ZZARSCYIXVVPEO-GXFFZTMASA-N 1 0 332.360 2.247 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001146288902 791162836 /nfs/dbraw/zinc/16/28/36/791162836.db2.gz JISDILHOUNDWPZ-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1coc(C2CCC2)n1 ZINC001147095441 791697597 /nfs/dbraw/zinc/69/75/97/791697597.db2.gz CICLYRXSGANWQB-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO CN(C)c1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001148954950 792806147 /nfs/dbraw/zinc/80/61/47/792806147.db2.gz LSNPXXBEVWXJDH-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCCOCC1)C1CC1 ZINC000903226854 793433591 /nfs/dbraw/zinc/43/35/91/793433591.db2.gz IKMRAJLKYHZOPW-KRWDZBQOSA-N 1 0 333.432 2.228 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCN(C)CC2)c1F ZINC001173175931 797277056 /nfs/dbraw/zinc/27/70/56/797277056.db2.gz VNYQCGAPKLTSDZ-LLVKDONJSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)CCSC)c1F ZINC001173176615 797277215 /nfs/dbraw/zinc/27/72/15/797277215.db2.gz KRESBSHNLJGPRF-MNOVXSKESA-N 1 0 346.424 2.377 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)c2cccnc2)c1F ZINC001173180526 797278558 /nfs/dbraw/zinc/27/85/58/797278558.db2.gz RGQLKUPKVQOYMC-RISCZKNCSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(C)(OC)OC)c1F ZINC001173194160 797282701 /nfs/dbraw/zinc/28/27/01/797282701.db2.gz YFJRKFOKUITNNI-JTQLQIEISA-N 1 0 330.356 2.272 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@H+](C)[C@H](C)C2)c1F ZINC001173197635 797284250 /nfs/dbraw/zinc/28/42/50/797284250.db2.gz VVIHRKGGQKGSIV-VXGBXAGGSA-N 1 0 325.384 2.309 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001173212268 797315057 /nfs/dbraw/zinc/31/50/57/797315057.db2.gz YSIUDYLGDLWBFT-LRDDRELGSA-N 1 0 330.388 2.163 20 5 EEBDRO CC(F)(F)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002222023 797739984 /nfs/dbraw/zinc/73/99/84/797739984.db2.gz PWGNVMIOGMEEKS-UHFFFAOYSA-N 1 0 327.331 2.331 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001110191328 798280736 /nfs/dbraw/zinc/28/07/36/798280736.db2.gz PHGPJYBTHNZIQF-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000843185155 798621619 /nfs/dbraw/zinc/62/16/19/798621619.db2.gz MVUUUIWPRJIVRP-GFCCVEGCSA-N 1 0 343.387 2.490 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000843185156 798621821 /nfs/dbraw/zinc/62/18/21/798621821.db2.gz MVUUUIWPRJIVRP-LBPRGKRZSA-N 1 0 343.387 2.490 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823678577 798757247 /nfs/dbraw/zinc/75/72/47/798757247.db2.gz QQODKWZKBYOUIO-XOKHGSTOSA-N 1 0 349.431 2.207 20 5 EEBDRO CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177313922 798854020 /nfs/dbraw/zinc/85/40/20/798854020.db2.gz WCRKSJJROXIWNX-HZPDHXFCSA-N 1 0 325.453 2.306 20 5 EEBDRO COCCC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001204231858 799668005 /nfs/dbraw/zinc/66/80/05/799668005.db2.gz RCYJUPOVBMBOQE-UHFFFAOYSA-N 1 0 341.433 2.021 20 5 EEBDRO CC(=O)NCCCCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001112641651 806916344 /nfs/dbraw/zinc/91/63/44/806916344.db2.gz YGAJBHGBQUIHSY-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cncs1 ZINC001086038828 801993254 /nfs/dbraw/zinc/99/32/54/801993254.db2.gz RUZFJSSYYNLGQJ-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC001086308548 802708737 /nfs/dbraw/zinc/70/87/37/802708737.db2.gz FFTBBQWMMDPXGK-NNUKFRKNSA-N 1 0 329.356 2.486 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962976 803551795 /nfs/dbraw/zinc/55/17/95/803551795.db2.gz NMRLHFCRWBCGLX-MQYQWHSLSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001168965630 803552770 /nfs/dbraw/zinc/55/27/70/803552770.db2.gz BENMNHFZPDPCTL-QZTJIDSGSA-N 1 0 333.432 2.054 20 5 EEBDRO CC(C)(C)OC(=O)C1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC([NH3+])CC1 ZINC001168973907 803556918 /nfs/dbraw/zinc/55/69/18/803556918.db2.gz PJQLWZDIJUNFED-ZBUZPQQSSA-N 1 0 341.452 2.003 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)C1 ZINC001168994082 803561354 /nfs/dbraw/zinc/56/13/54/803561354.db2.gz OTXZUYUBAIMOJC-UONOGXRCSA-N 1 0 335.404 2.174 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1OC ZINC001168998152 803563979 /nfs/dbraw/zinc/56/39/79/803563979.db2.gz IVQPFENTVQLFRA-GJZGRUSLSA-N 1 0 338.404 2.255 20 5 EEBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998271 803564015 /nfs/dbraw/zinc/56/40/15/803564015.db2.gz KSZAHODSFHKDDX-AJNGGQMLSA-N 1 0 325.453 2.495 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168998839 803564491 /nfs/dbraw/zinc/56/44/91/803564491.db2.gz QLASEPRNOIVATM-NOLJZWGESA-N 1 0 336.388 2.334 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ncccc2Br)C1 ZINC001169001520 803566396 /nfs/dbraw/zinc/56/63/96/803566396.db2.gz GUNYEUHPHVMDBD-MNOVXSKESA-N 1 0 328.210 2.422 20 5 EEBDRO CC(C)CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001169005933 803567735 /nfs/dbraw/zinc/56/77/35/803567735.db2.gz WDMDSBSRFIZZCU-KBPBESRZSA-N 1 0 332.466 2.015 20 5 EEBDRO COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169009086 803570153 /nfs/dbraw/zinc/57/01/53/803570153.db2.gz VDLJGGFXCYRGSZ-CABCVRRESA-N 1 0 339.436 2.376 20 5 EEBDRO CC(C)(C)OC(=O)NCCC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033945 803578726 /nfs/dbraw/zinc/57/87/26/803578726.db2.gz DVJKRQVFCWMPKE-JSGCOSHPSA-N 1 0 327.425 2.278 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034961 803579557 /nfs/dbraw/zinc/57/95/57/803579557.db2.gz IXDYJUXEFPXDQQ-BFHYXJOUSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169040262 803583468 /nfs/dbraw/zinc/58/34/68/803583468.db2.gz ZCEUWWBQUIADJI-CZUORRHYSA-N 1 0 329.404 2.064 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041013 803583610 /nfs/dbraw/zinc/58/36/10/803583610.db2.gz AJHXVUOQCKJHEE-HEHGZKQESA-N 1 0 345.415 2.371 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)C1 ZINC001169025891 803591101 /nfs/dbraw/zinc/59/11/01/803591101.db2.gz ZTVBDAMTLMNOJE-BRWVUGGUSA-N 1 0 338.448 2.482 20 5 EEBDRO COc1cccc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169054981 803596998 /nfs/dbraw/zinc/59/69/98/803596998.db2.gz OTKAFGNWNGXXDK-HIFRSBDPSA-N 1 0 334.420 2.094 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001169075060 803604843 /nfs/dbraw/zinc/60/48/43/803604843.db2.gz KVBZLLWJHGNDMB-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170296776 809869918 /nfs/dbraw/zinc/86/99/18/809869918.db2.gz IGRJUEIVDOOCOT-CHWSQXEVSA-N 1 0 337.420 2.381 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn3cccnc3n2)c([N+](=O)[O-])c1 ZINC001170298578 809870744 /nfs/dbraw/zinc/87/07/44/809870744.db2.gz MPCGOTMVWKLVLA-LBPRGKRZSA-N 1 0 341.371 2.367 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170304258 809873554 /nfs/dbraw/zinc/87/35/54/809873554.db2.gz AQLAZKSZTMFEMG-PXAZEXFGSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@@H](C)N(CC[NH3+])c2ccccn2)c([N+](=O)[O-])c1 ZINC001170305443 809875154 /nfs/dbraw/zinc/87/51/54/809875154.db2.gz KUGPIHHYHOAKOU-CYBMUJFWSA-N 1 0 330.388 2.395 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170305876 809876753 /nfs/dbraw/zinc/87/67/53/809876753.db2.gz RCXWXDRUIFXMMA-GXTWGEPZSA-N 1 0 335.404 2.133 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170306198 809883524 /nfs/dbraw/zinc/88/35/24/809883524.db2.gz RLSVZUKQNJIDRG-ZDUSSCGKSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170318906 809888598 /nfs/dbraw/zinc/88/85/98/809888598.db2.gz SBVYPDIIAFFFKP-GFCCVEGCSA-N 1 0 343.374 2.465 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C2CN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170328014 809892330 /nfs/dbraw/zinc/89/23/30/809892330.db2.gz TYJBUKVVURYKTO-SNVBAGLBSA-N 1 0 347.337 2.371 20 5 EEBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@@H]21 ZINC001170352085 809919792 /nfs/dbraw/zinc/91/97/92/809919792.db2.gz LFFOLXYJSUDPCR-ZYIUAKIQSA-N 1 0 348.399 2.275 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCCO1 ZINC000804650518 810987058 /nfs/dbraw/zinc/98/70/58/810987058.db2.gz OHZXGELYDUZOSS-GFCCVEGCSA-N 1 0 338.364 2.416 20 5 EEBDRO CC(C)c1n[nH]cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130728042 811967790 /nfs/dbraw/zinc/96/77/90/811967790.db2.gz NPMVKTUKXSNDAF-UHFFFAOYSA-N 1 0 337.405 2.022 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccn2ccccc12 ZINC001131173356 812507959 /nfs/dbraw/zinc/50/79/59/812507959.db2.gz JAVUXHQSAZKBPO-UHFFFAOYSA-N 1 0 338.367 2.367 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000808783238 812853530 /nfs/dbraw/zinc/85/35/30/812853530.db2.gz MJCWJIGRCCQGNC-VBNZEHGJSA-N 1 0 335.379 2.471 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000808783237 812853708 /nfs/dbraw/zinc/85/37/08/812853708.db2.gz MJCWJIGRCCQGNC-RCBQFDQVSA-N 1 0 335.379 2.471 20 5 EEBDRO CN(C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000052753584 214143705 /nfs/dbraw/zinc/14/37/05/214143705.db2.gz POSHQDRCDTZZSY-ZDUSSCGKSA-N 1 0 333.388 2.059 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175077512 231380650 /nfs/dbraw/zinc/38/06/50/231380650.db2.gz WYQSKXMWVQWBDO-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000101590888 219143542 /nfs/dbraw/zinc/14/35/42/219143542.db2.gz IJKALIQVGPYTIV-HNNXBMFYSA-N 1 0 336.319 2.271 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178072490 232074344 /nfs/dbraw/zinc/07/43/44/232074344.db2.gz RYBJOGWMRQOJBE-CYBMUJFWSA-N 1 0 343.449 2.225 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000183547161 235134824 /nfs/dbraw/zinc/13/48/24/235134824.db2.gz AOSAUZDLSINJMT-UHFFFAOYSA-N 1 0 329.360 2.373 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072510207 216265722 /nfs/dbraw/zinc/26/57/22/216265722.db2.gz CMHQILRVFKKEKN-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO CCS(=O)(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000131747775 223266144 /nfs/dbraw/zinc/26/61/44/223266144.db2.gz BDQACRCLWVKOSM-UHFFFAOYSA-N 1 0 343.449 2.135 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C[NH3+])C1CC1 ZINC000423951957 240756027 /nfs/dbraw/zinc/75/60/27/240756027.db2.gz PNRNNQIWCUKPLY-GFCCVEGCSA-N 1 0 342.193 2.167 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000424037012 240805794 /nfs/dbraw/zinc/80/57/94/240805794.db2.gz FZGXABYPJFUNGK-QGZVFWFLSA-N 1 0 346.431 2.243 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132861860 223368802 /nfs/dbraw/zinc/36/88/02/223368802.db2.gz YVPWNGWZAZMLFX-AWEZNQCLSA-N 1 0 334.397 2.454 20 5 EEBDRO Cc1c(CC(=O)N2CCC(OCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000438834405 242053373 /nfs/dbraw/zinc/05/33/73/242053373.db2.gz SMEJNQFRPAWOGL-UHFFFAOYSA-N 1 0 349.431 2.015 20 5 EEBDRO C[C@H]1[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803873 242318507 /nfs/dbraw/zinc/31/85/07/242318507.db2.gz CGYJVQSENZEGOF-GOEBONIOSA-N 1 0 348.447 2.322 20 5 EEBDRO CCOc1cc(C(=O)NCC([NH3+])(CC)CC)c([N+](=O)[O-])cc1OC ZINC000237034796 242453973 /nfs/dbraw/zinc/45/39/73/242453973.db2.gz GKKLGSUXSCDFOY-UHFFFAOYSA-N 1 0 339.392 2.249 20 5 EEBDRO Cn1cc(C[NH2+]CCCn2cccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237915050 242853075 /nfs/dbraw/zinc/85/30/75/242853075.db2.gz GQSLXLNGESDVLH-UHFFFAOYSA-N 1 0 340.387 2.372 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451602117 243173739 /nfs/dbraw/zinc/17/37/39/243173739.db2.gz INFUAJYNFABUMS-CRAIPNDOSA-N 1 0 347.415 2.228 20 5 EEBDRO CCOC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247130912 243377782 /nfs/dbraw/zinc/37/77/82/243377782.db2.gz ZMBZGYBFLLUSHU-YOEHRIQHSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262824074 245197842 /nfs/dbraw/zinc/19/78/42/245197842.db2.gz HCJASESIBMBUMV-RKDXNWHRSA-N 1 0 342.193 2.228 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772197 245243359 /nfs/dbraw/zinc/24/33/59/245243359.db2.gz SBSNARMRFKKJPA-JKSUJKDBSA-N 1 0 345.399 2.031 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264158692 246121333 /nfs/dbraw/zinc/12/13/33/246121333.db2.gz IOLOTLYPNVVORI-ZHACJKMWSA-N 1 0 349.431 2.425 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494705088 247008302 /nfs/dbraw/zinc/00/83/02/247008302.db2.gz XZEVASGLEGDWCS-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](C)CC1 ZINC000264954851 247083920 /nfs/dbraw/zinc/08/39/20/247083920.db2.gz WDICNYLPHKWQEK-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000266528394 248346997 /nfs/dbraw/zinc/34/69/97/248346997.db2.gz LEFPNSAJAPSSQG-AEFFLSMTSA-N 1 0 344.415 2.249 20 5 EEBDRO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534862 248349675 /nfs/dbraw/zinc/34/96/75/248349675.db2.gz NTTVNWGFBUDOKN-OAHLLOKOSA-N 1 0 336.367 2.202 20 5 EEBDRO COC[C@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153705683 533111382 /nfs/dbraw/zinc/11/13/82/533111382.db2.gz HDKWZCVCUGXUGO-CQSZACIVSA-N 1 0 337.401 2.205 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCCCC1 ZINC000117756413 221086659 /nfs/dbraw/zinc/08/66/59/221086659.db2.gz XVMYLKVARJEIGF-UHFFFAOYSA-N 1 0 325.796 2.393 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267134742 256031147 /nfs/dbraw/zinc/03/11/47/256031147.db2.gz BKOSUGIJDKSAEW-WAVCKPEOSA-N 1 0 335.429 2.162 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267863920 256092478 /nfs/dbraw/zinc/09/24/78/256092478.db2.gz BCEPWZNEJVFYNZ-GXTWGEPZSA-N 1 0 332.404 2.062 20 5 EEBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419608 256133676 /nfs/dbraw/zinc/13/36/76/256133676.db2.gz GIWUSFGTNLLWMC-SJKOYZFVSA-N 1 0 349.387 2.245 20 5 EEBDRO O=[N+]([O-])c1cc(CSCCN2CCOCC2)c2c(c1)COCO2 ZINC000270483998 256140321 /nfs/dbraw/zinc/14/03/21/256140321.db2.gz BLXPUZPJGIJQCW-UHFFFAOYSA-N 1 0 340.401 2.027 20 5 EEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000270491574 256140703 /nfs/dbraw/zinc/14/07/03/256140703.db2.gz MIMYLOVIBUQDLJ-VUCTXSBTSA-N 1 0 345.399 2.471 20 5 EEBDRO Cc1cc(N2CCC[C@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274095016 256353577 /nfs/dbraw/zinc/35/35/77/256353577.db2.gz UXFJQBAKHHDVER-ZDUSSCGKSA-N 1 0 349.412 2.465 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414504181 533559359 /nfs/dbraw/zinc/55/93/59/533559359.db2.gz XOPTUORHCHXKQX-CMPLNLGQSA-N 1 0 340.401 2.130 20 5 EEBDRO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000120782470 142397109 /nfs/dbraw/zinc/39/71/09/142397109.db2.gz PQOVLKISDUJHMX-ZDUSSCGKSA-N 1 0 336.436 2.413 20 5 EEBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2ccccc21 ZINC000374316187 154048105 /nfs/dbraw/zinc/04/81/05/154048105.db2.gz OGIQYVPCUQABPC-INIZCTEOSA-N 1 0 341.367 2.324 20 5 EEBDRO CN(C(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000077314974 159098940 /nfs/dbraw/zinc/09/89/40/159098940.db2.gz UMWZCQZJZKGKMF-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO CC[N@H+](CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078454455 159118395 /nfs/dbraw/zinc/11/83/95/159118395.db2.gz UHHUJBRHGINMRB-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000193850725 160187769 /nfs/dbraw/zinc/18/77/69/160187769.db2.gz OEGQVCRMZYDODN-GFCCVEGCSA-N 1 0 329.360 2.136 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000246874493 160298836 /nfs/dbraw/zinc/29/88/36/160298836.db2.gz USOWQWUIEXIXKT-DOTOQJQBSA-N 1 0 331.416 2.470 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248463603 160347891 /nfs/dbraw/zinc/34/78/91/160347891.db2.gz QRQTWBDOWBYIEV-CJNGLKHVSA-N 1 0 340.445 2.408 20 5 EEBDRO CC(C)[C@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342239831 161049703 /nfs/dbraw/zinc/04/97/03/161049703.db2.gz UKYHBIOUSNNZPT-HNNXBMFYSA-N 1 0 332.404 2.349 20 5 EEBDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000342318811 161055882 /nfs/dbraw/zinc/05/58/82/161055882.db2.gz MRSZJHJETUDLTK-PXAZEXFGSA-N 1 0 335.404 2.284 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343267660 161118657 /nfs/dbraw/zinc/11/86/57/161118657.db2.gz SSABHHWTDFTSFM-RYUDHWBXSA-N 1 0 328.372 2.433 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[N@@H+]1C ZINC000343572182 161147763 /nfs/dbraw/zinc/14/77/63/161147763.db2.gz VGJGCFHFWXWKRO-SMDDNHRTSA-N 1 0 328.372 2.356 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)o2)c1 ZINC000344036286 161192236 /nfs/dbraw/zinc/19/22/36/161192236.db2.gz SMACOWBLKUHRJY-IMJJTQAJSA-N 1 0 343.383 2.495 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000344099387 161198325 /nfs/dbraw/zinc/19/83/25/161198325.db2.gz AZCQMXKTYSVMRF-DUVNUKRYSA-N 1 0 335.379 2.471 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344499600 161234067 /nfs/dbraw/zinc/23/40/67/161234067.db2.gz WBLOGNROJCCGSU-UHFFFAOYSA-N 1 0 325.796 2.345 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000344845202 161250422 /nfs/dbraw/zinc/25/04/22/161250422.db2.gz ZOCVYHHWCCFHOG-ZIAGYGMSSA-N 1 0 335.404 2.271 20 5 EEBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000344976036 161260790 /nfs/dbraw/zinc/26/07/90/161260790.db2.gz MIHBMBYCGHDYAD-UHFFFAOYSA-N 1 0 329.422 2.142 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000345024172 161264721 /nfs/dbraw/zinc/26/47/21/161264721.db2.gz YFMBROUWTSJCBC-UHFFFAOYSA-N 1 0 347.415 2.440 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000345119436 161273363 /nfs/dbraw/zinc/27/33/63/161273363.db2.gz RETCFXKIOURAAX-CQSZACIVSA-N 1 0 332.404 2.015 20 5 EEBDRO COC(=O)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000345311804 161291105 /nfs/dbraw/zinc/29/11/05/161291105.db2.gz ZRVWUZWIGLQUQT-UHFFFAOYSA-N 1 0 349.387 2.199 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346125777 161359437 /nfs/dbraw/zinc/35/94/37/161359437.db2.gz AMGLXLREIXQGNA-RYUDHWBXSA-N 1 0 337.424 2.263 20 5 EEBDRO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCCC1 ZINC000348211270 161485280 /nfs/dbraw/zinc/48/52/80/161485280.db2.gz RDWPBHZSNBCWDO-CQSZACIVSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000351812322 161935670 /nfs/dbraw/zinc/93/56/70/161935670.db2.gz DRVYLUPIHVRNKP-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151839995 292480161 /nfs/dbraw/zinc/48/01/61/292480161.db2.gz LMCUXEMFEKXIRR-UHFFFAOYSA-N 1 0 345.403 2.193 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000360087231 164230002 /nfs/dbraw/zinc/23/00/02/164230002.db2.gz WFQBAAPXKYQECR-ZDUSSCGKSA-N 1 0 337.445 2.487 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374104002 167018502 /nfs/dbraw/zinc/01/85/02/167018502.db2.gz CKPPRVNQKGSJKS-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000374871963 167056791 /nfs/dbraw/zinc/05/67/91/167056791.db2.gz CSBPIKMMBQEDHD-SWLSCSKDSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000375870421 167215142 /nfs/dbraw/zinc/21/51/42/167215142.db2.gz HIEGGIXJDXJFOE-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO Cn1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000408449649 167794767 /nfs/dbraw/zinc/79/47/67/167794767.db2.gz ATNMYDMLSABSQI-OCCSQVGLSA-N 1 0 332.404 2.022 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163762819 226014131 /nfs/dbraw/zinc/01/41/31/226014131.db2.gz BXOKKNZYZPVORC-ZDUSSCGKSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122424355 222083312 /nfs/dbraw/zinc/08/33/12/222083312.db2.gz DJHUJYFSWRVQHB-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278406816 269229493 /nfs/dbraw/zinc/22/94/93/269229493.db2.gz FAFIGQKCQLNXIP-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO C[N@H+](CCCCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000278896327 269249051 /nfs/dbraw/zinc/24/90/51/269249051.db2.gz OVLXLVNIAIARPV-UHFFFAOYSA-N 1 0 327.356 2.157 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824232 269392604 /nfs/dbraw/zinc/39/26/04/269392604.db2.gz KHCNTJCVNUIDJY-WCQYABFASA-N 1 0 341.358 2.277 20 5 EEBDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000281900765 269452954 /nfs/dbraw/zinc/45/29/54/269452954.db2.gz BNSWZTFAAIFBAK-YOEHRIQHSA-N 1 0 346.431 2.022 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000237339766 274093155 /nfs/dbraw/zinc/09/31/55/274093155.db2.gz YXXXTWSIKQBJJL-CQSZACIVSA-N 1 0 348.447 2.416 20 5 EEBDRO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554451 274175216 /nfs/dbraw/zinc/17/52/16/274175216.db2.gz RYANZAOGAUAXQF-CXAGYDPISA-N 1 0 343.431 2.490 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277558680 274309177 /nfs/dbraw/zinc/30/91/77/274309177.db2.gz PDOSUJWMNZZHPJ-CYBMUJFWSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1nn(C)c(NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000278725734 274394523 /nfs/dbraw/zinc/39/45/23/274394523.db2.gz PLMTZRRBVABQJW-UHFFFAOYSA-N 1 0 330.392 2.108 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374314788 274723680 /nfs/dbraw/zinc/72/36/80/274723680.db2.gz XJAWXRMQTZDAOR-QAPCUYQASA-N 1 0 332.448 2.365 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000285903155 274812289 /nfs/dbraw/zinc/81/22/89/274812289.db2.gz RZBRCRPKZKRUAX-GJZGRUSLSA-N 1 0 347.415 2.449 20 5 EEBDRO O=C1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000175924182 275019693 /nfs/dbraw/zinc/01/96/93/275019693.db2.gz BNRXEXPUSIVGPA-DVOMOZLQSA-N 1 0 343.383 2.349 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C2CCOCC2)CC1 ZINC000450365579 275039587 /nfs/dbraw/zinc/03/95/87/275039587.db2.gz OZJIMSXKYNZDIT-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000288453598 275059985 /nfs/dbraw/zinc/05/99/85/275059985.db2.gz PPDWDDZZDZBRAC-JQWIXIFHSA-N 1 0 336.367 2.015 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)c2ccncc21 ZINC000289146857 275101307 /nfs/dbraw/zinc/10/13/07/275101307.db2.gz OTBWFSAEIRYWSJ-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000291095353 275269760 /nfs/dbraw/zinc/26/97/60/275269760.db2.gz ILUKZPLVDWNPDG-BRWVUGGUSA-N 1 0 349.431 2.162 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292089360 275374521 /nfs/dbraw/zinc/37/45/21/275374521.db2.gz FGCCPDCGOKIZGJ-INIZCTEOSA-N 1 0 335.429 2.485 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCS(C)(=O)=O ZINC000271074595 276628954 /nfs/dbraw/zinc/62/89/54/276628954.db2.gz GCSMWMWXGMUHOZ-GFCCVEGCSA-N 1 0 346.474 2.490 20 5 EEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000090538987 288043040 /nfs/dbraw/zinc/04/30/40/288043040.db2.gz MLGDMIPSDRBQOQ-AWEZNQCLSA-N 1 0 332.360 2.303 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCN1CCOCC1 ZINC000076897616 279966193 /nfs/dbraw/zinc/96/61/93/279966193.db2.gz RNGNEKOUGQOLBC-CQSZACIVSA-N 1 0 337.420 2.194 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193598822 280048561 /nfs/dbraw/zinc/04/85/61/280048561.db2.gz UJRJEZIQOKVQMF-LDYMZIIASA-N 1 0 342.193 2.228 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000152556301 290244365 /nfs/dbraw/zinc/24/43/65/290244365.db2.gz PCJVEOMXKJXUJN-HIFRSBDPSA-N 1 0 344.415 2.400 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000347510325 290453679 /nfs/dbraw/zinc/45/36/79/290453679.db2.gz DGEWAMSCMAOMLQ-ZDUSSCGKSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(=O)c1cc(N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000287395043 293053068 /nfs/dbraw/zinc/05/30/68/293053068.db2.gz RWLVPPFVKOFNDJ-UHFFFAOYSA-N 1 0 347.415 2.346 20 5 EEBDRO CC(C)[C@@]1(CO)CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000293048382 293111771 /nfs/dbraw/zinc/11/17/71/293111771.db2.gz MPXGYRLKZODVDL-SFHVURJKSA-N 1 0 349.431 2.288 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795140 294343124 /nfs/dbraw/zinc/34/31/24/294343124.db2.gz XSUNEOAYNLGPEV-DUVNUKRYSA-N 1 0 332.404 2.391 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348739 294427993 /nfs/dbraw/zinc/42/79/93/294427993.db2.gz UPAILUASNYGAGL-SJLPKXTDSA-N 1 0 343.431 2.397 20 5 EEBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298440708 294499561 /nfs/dbraw/zinc/49/95/61/294499561.db2.gz QPBMLVVNDWBCTM-UHFFFAOYSA-N 1 0 339.392 2.337 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000298559185 294528949 /nfs/dbraw/zinc/52/89/49/294528949.db2.gz FGHQZBFDGWBSNH-CHWSQXEVSA-N 1 0 334.420 2.275 20 5 EEBDRO COc1ccccc1[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+](C)C ZINC000301086826 294821152 /nfs/dbraw/zinc/82/11/52/294821152.db2.gz KIJTXHYCXSYQJT-ZDUSSCGKSA-N 1 0 333.392 2.360 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301760590 294891178 /nfs/dbraw/zinc/89/11/78/294891178.db2.gz BFQIHEWJZJKZCV-LBPRGKRZSA-N 1 0 329.347 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000346181177 295253291 /nfs/dbraw/zinc/25/32/91/295253291.db2.gz HWKFJEBLHJHXMT-PBFPGSCMSA-N 1 0 347.415 2.406 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000176432365 295345015 /nfs/dbraw/zinc/34/50/15/295345015.db2.gz CHLKZARZQAFDOS-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000190997620 295356855 /nfs/dbraw/zinc/35/68/55/295356855.db2.gz SAEXARGIYLGYNK-CQSZACIVSA-N 1 0 332.404 2.268 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424049122 295362836 /nfs/dbraw/zinc/36/28/36/295362836.db2.gz YVKCBVTYLYMREY-UHFFFAOYSA-N 1 0 344.415 2.060 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000237399538 301428928 /nfs/dbraw/zinc/42/89/28/301428928.db2.gz VRDMTZKZKOECMM-OCCSQVGLSA-N 1 0 341.433 2.102 20 5 EEBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414519906 313035774 /nfs/dbraw/zinc/03/57/74/313035774.db2.gz CRLDIXJFNYKYJJ-LRDDRELGSA-N 1 0 326.393 2.497 20 5 EEBDRO CC1(C)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414951987 313113855 /nfs/dbraw/zinc/11/38/55/313113855.db2.gz QGYNMWUMMUETKZ-UHFFFAOYSA-N 1 0 344.318 2.412 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000415767738 313182097 /nfs/dbraw/zinc/18/20/97/313182097.db2.gz UPIIQGBEMRKNTJ-KGLIPLIRSA-N 1 0 336.392 2.127 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000430551639 314543727 /nfs/dbraw/zinc/54/37/27/314543727.db2.gz MHSJUXJCRLDZRU-ZDUSSCGKSA-N 1 0 346.431 2.386 20 5 EEBDRO COc1cc(CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435373575 314897460 /nfs/dbraw/zinc/89/74/60/314897460.db2.gz FELLTXPAFAGQBE-SNVBAGLBSA-N 1 0 349.309 2.078 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443057935 315226503 /nfs/dbraw/zinc/22/65/03/315226503.db2.gz LTNFOFAFYNZPAT-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444670975 315315072 /nfs/dbraw/zinc/31/50/72/315315072.db2.gz HHGQOIJQKOQPHW-CQSZACIVSA-N 1 0 345.403 2.385 20 5 EEBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000444767360 315322945 /nfs/dbraw/zinc/32/29/45/315322945.db2.gz RWFMOXZSWGNPIK-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202120 315431566 /nfs/dbraw/zinc/43/15/66/315431566.db2.gz FGOLDRCKESFIHW-HOTGVXAUSA-N 1 0 331.416 2.376 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000496715123 316236384 /nfs/dbraw/zinc/23/63/84/316236384.db2.gz WAEWGHQNWXHLAB-LBPRGKRZSA-N 1 0 346.387 2.448 20 5 EEBDRO CC(C)[C@H](O)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000514673478 316410046 /nfs/dbraw/zinc/41/00/46/316410046.db2.gz LYAFVWINCQLRQI-INIZCTEOSA-N 1 0 335.404 2.310 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000515187869 316468689 /nfs/dbraw/zinc/46/86/89/316468689.db2.gz DLMRZAUJTFSREI-RDJZCZTQSA-N 1 0 330.388 2.128 20 5 EEBDRO CC1(C)C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000517359589 316662621 /nfs/dbraw/zinc/66/26/21/316662621.db2.gz JAMZPOTXGRHXIY-ZFWWWQNUSA-N 1 0 338.404 2.129 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000524417828 317015892 /nfs/dbraw/zinc/01/58/92/317015892.db2.gz ZYXWXPMUWVSONL-CQSZACIVSA-N 1 0 337.420 2.238 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546562753 318252800 /nfs/dbraw/zinc/25/28/00/318252800.db2.gz IDZZMJZWAWNJIF-LBPRGKRZSA-N 1 0 337.395 2.470 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548042933 318348128 /nfs/dbraw/zinc/34/81/28/318348128.db2.gz GPEFMPOSVBICKH-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000557221714 318675358 /nfs/dbraw/zinc/67/53/58/318675358.db2.gz OEOPMVYGTMWDJY-HDJSIYSDSA-N 1 0 346.431 2.428 20 5 EEBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563806486 319044716 /nfs/dbraw/zinc/04/47/16/319044716.db2.gz XKEGIDOAJHBLDW-WFASDCNBSA-N 1 0 326.418 2.250 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000564657838 319098606 /nfs/dbraw/zinc/09/86/06/319098606.db2.gz POYJTEXXPBFLNE-BDAKNGLRSA-N 1 0 344.209 2.142 20 5 EEBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000564848741 319118086 /nfs/dbraw/zinc/11/80/86/319118086.db2.gz GICZKPJOLXPMIO-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000565841045 319220294 /nfs/dbraw/zinc/22/02/94/319220294.db2.gz FOYRMRPLXQKQNH-ZDUSSCGKSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000566093712 319243650 /nfs/dbraw/zinc/24/36/50/319243650.db2.gz STCPIVHMBHAVKV-UHFFFAOYSA-N 1 0 335.389 2.109 20 5 EEBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377555 319375003 /nfs/dbraw/zinc/37/50/03/319375003.db2.gz SECZHLIBCWFBNV-LLVKDONJSA-N 1 0 331.376 2.316 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000571184049 319733598 /nfs/dbraw/zinc/73/35/98/319733598.db2.gz XNOIRNDGNIKMHS-INIZCTEOSA-N 1 0 332.404 2.268 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])cc(Br)c2=O)CC1 ZINC000572511657 319853089 /nfs/dbraw/zinc/85/30/89/319853089.db2.gz LESAGFOIZYVGQZ-MGCOHNPYSA-N 1 0 344.209 2.284 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000577408453 320254003 /nfs/dbraw/zinc/25/40/03/320254003.db2.gz XXBRECYZYMMVDL-NSHDSACASA-N 1 0 327.344 2.459 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000578226621 320302504 /nfs/dbraw/zinc/30/25/04/320302504.db2.gz KTJNKMMPBZFWII-OAHLLOKOSA-N 1 0 332.404 2.180 20 5 EEBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000182355850 323373441 /nfs/dbraw/zinc/37/34/41/323373441.db2.gz ZXJFEUCVONEMRS-XHSDSOJGSA-N 1 0 333.388 2.247 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000579948272 323961805 /nfs/dbraw/zinc/96/18/05/323961805.db2.gz XBTTVGLUFBSPQN-UHFFFAOYSA-N 1 0 334.397 2.201 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000582900327 324553045 /nfs/dbraw/zinc/55/30/45/324553045.db2.gz LLKAYUWFZCHUGL-XJKCOSOUSA-N 1 0 333.388 2.471 20 5 EEBDRO CC(C)NC(=O)c1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000184787962 465026375 /nfs/dbraw/zinc/02/63/75/465026375.db2.gz FVBKSCRYARFAIA-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO COC(=O)Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000295989275 465044602 /nfs/dbraw/zinc/04/46/02/465044602.db2.gz LVGKLGBEVAECMX-AGUYFDCRSA-N 1 0 333.388 2.347 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000327637409 465053888 /nfs/dbraw/zinc/05/38/88/465053888.db2.gz ARAVWJJXBDMCNZ-RHSMWYFYSA-N 1 0 346.431 2.151 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000341211751 465058377 /nfs/dbraw/zinc/05/83/77/465058377.db2.gz PMFJDJOJEREHAB-FUHWJXTLSA-N 1 0 346.383 2.048 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296083804 465075679 /nfs/dbraw/zinc/07/56/79/465075679.db2.gz SRHDGHRXZGXZTB-ZDUSSCGKSA-N 1 0 335.404 2.231 20 5 EEBDRO COc1cc(C(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000296105022 465081000 /nfs/dbraw/zinc/08/10/00/465081000.db2.gz GPROCMPGJAWUNG-UHFFFAOYSA-N 1 0 339.367 2.300 20 5 EEBDRO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCSC1 ZINC000341264339 465082265 /nfs/dbraw/zinc/08/22/65/465082265.db2.gz AIHGTSZGHJPCOE-LBPRGKRZSA-N 1 0 343.836 2.302 20 5 EEBDRO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000358767686 465310370 /nfs/dbraw/zinc/31/03/70/465310370.db2.gz ZGKHBVQCFBNTKT-OAHLLOKOSA-N 1 0 342.399 2.328 20 5 EEBDRO C[C@@H]1CC[N@H+](CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552048269 468302916 /nfs/dbraw/zinc/30/29/16/468302916.db2.gz MSZQGPGKSODDFY-PBHICJAKSA-N 1 0 343.431 2.349 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000085408908 462545628 /nfs/dbraw/zinc/54/56/28/462545628.db2.gz ZDHRVMTUOCAJHI-ZFWWWQNUSA-N 1 0 334.420 2.119 20 5 EEBDRO CCC1(CO)CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000128191883 462617493 /nfs/dbraw/zinc/61/74/93/462617493.db2.gz WFKSYBVFXXDLSA-UHFFFAOYSA-N 1 0 338.404 2.467 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114147976 462629291 /nfs/dbraw/zinc/62/92/91/462629291.db2.gz HXIDZJDAXOQQRX-OLZOCXBDSA-N 1 0 337.445 2.486 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000114748859 462677984 /nfs/dbraw/zinc/67/79/84/462677984.db2.gz FBFOAPCPRCHIDH-BXKDBHETSA-N 1 0 331.294 2.409 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000075216007 462694440 /nfs/dbraw/zinc/69/44/40/462694440.db2.gz HOKWQJQSZHXTMI-ZDUSSCGKSA-N 1 0 334.420 2.289 20 5 EEBDRO NC(=O)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065209165 462743360 /nfs/dbraw/zinc/74/33/60/462743360.db2.gz RPZQEQXJHKEZQS-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008222358 462774001 /nfs/dbraw/zinc/77/40/01/462774001.db2.gz FWCKMAHZFQNHPP-CHWSQXEVSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000047405761 462777565 /nfs/dbraw/zinc/77/75/65/462777565.db2.gz UYLOOWNCPHZFLR-GFCCVEGCSA-N 1 0 349.387 2.043 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCCO1 ZINC000117336383 462798113 /nfs/dbraw/zinc/79/81/13/462798113.db2.gz ATKDBMOBBCFTJD-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000090574073 462800289 /nfs/dbraw/zinc/80/02/89/462800289.db2.gz DYGNFFOAFUCVJV-DCGLDWPTSA-N 1 0 337.420 2.363 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000131282492 462803098 /nfs/dbraw/zinc/80/30/98/462803098.db2.gz LYSWDKSXPYYQCA-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)nc2)CC1 ZINC000077234573 462957758 /nfs/dbraw/zinc/95/77/58/462957758.db2.gz STKXLFQBHWFKKD-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067270852 462984998 /nfs/dbraw/zinc/98/49/98/462984998.db2.gz BFDUTYAZDDTOCN-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1O ZINC000077460402 462990724 /nfs/dbraw/zinc/99/07/24/462990724.db2.gz LNYWNPWGZWZZJE-OAHLLOKOSA-N 1 0 338.385 2.368 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000067382982 462998825 /nfs/dbraw/zinc/99/88/25/462998825.db2.gz JCBVJPOQVBSVMM-UHFFFAOYSA-N 1 0 343.387 2.067 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000156271401 463001269 /nfs/dbraw/zinc/00/12/69/463001269.db2.gz GKUKOONPBMAHJE-DGCLKSJQSA-N 1 0 332.404 2.369 20 5 EEBDRO Cc1nn(C)c(N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051502427 463038595 /nfs/dbraw/zinc/03/85/95/463038595.db2.gz NIFWCAZXJWSGIV-UHFFFAOYSA-N 1 0 329.404 2.349 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077786571 463048281 /nfs/dbraw/zinc/04/82/81/463048281.db2.gz NKGVKJGCUUUAFL-MRXNPFEDSA-N 1 0 332.404 2.017 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000025371517 463121769 /nfs/dbraw/zinc/12/17/69/463121769.db2.gz QKGQTGGBWVNFAY-UHFFFAOYSA-N 1 0 341.415 2.220 20 5 EEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468046 463140808 /nfs/dbraw/zinc/14/08/08/463140808.db2.gz WYBCJINSPUUMFJ-MRXNPFEDSA-N 1 0 344.415 2.492 20 5 EEBDRO CNC(=O)c1ccc(N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000053556759 463174568 /nfs/dbraw/zinc/17/45/68/463174568.db2.gz IHGAENXYQLTYGG-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000078985116 463175339 /nfs/dbraw/zinc/17/53/39/463175339.db2.gz PNFNGZSEADORCR-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053575090 463175860 /nfs/dbraw/zinc/17/58/60/463175860.db2.gz FIUXYDKQMWEYIG-ZDUSSCGKSA-N 1 0 334.420 2.488 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158329090 463226179 /nfs/dbraw/zinc/22/61/79/463226179.db2.gz MOTHERPGHSJMIG-UHFFFAOYSA-N 1 0 344.209 2.429 20 5 EEBDRO C[NH+](C)Cc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000568581320 468356700 /nfs/dbraw/zinc/35/67/00/468356700.db2.gz IZSZWENHGVFQMM-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104755534 463421664 /nfs/dbraw/zinc/42/16/64/463421664.db2.gz RITSJKALLWONGU-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000163281389 463577678 /nfs/dbraw/zinc/57/76/78/463577678.db2.gz UXWKPKHQASPFQM-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000125841750 463584429 /nfs/dbraw/zinc/58/44/29/463584429.db2.gz BEDXHCSBPSDXRF-KGLIPLIRSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000568619655 468363754 /nfs/dbraw/zinc/36/37/54/468363754.db2.gz FGJXDWZPQRBXOU-INIZCTEOSA-N 1 0 346.431 2.336 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346283 463600609 /nfs/dbraw/zinc/60/06/09/463600609.db2.gz IWXXOUHUTUZSLB-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000164964275 463637822 /nfs/dbraw/zinc/63/78/22/463637822.db2.gz PNKJHDCIJNKAFM-BBRMVZONSA-N 1 0 335.404 2.129 20 5 EEBDRO CC(C)(C)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000109331945 463639544 /nfs/dbraw/zinc/63/95/44/463639544.db2.gz HQBWCZWOUZWLPJ-HNNXBMFYSA-N 1 0 346.387 2.282 20 5 EEBDRO C[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000110771213 463663835 /nfs/dbraw/zinc/66/38/35/463663835.db2.gz GHGYQVMGGNVYQA-UHFFFAOYSA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000044583070 463683987 /nfs/dbraw/zinc/68/39/87/463683987.db2.gz FAGJSZBTFUHDDC-GJZGRUSLSA-N 1 0 349.431 2.458 20 5 EEBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000193384496 463708683 /nfs/dbraw/zinc/70/86/83/463708683.db2.gz DEXABLSHAZIMDA-CQSZACIVSA-N 1 0 334.420 2.468 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000283009290 463732428 /nfs/dbraw/zinc/73/24/28/463732428.db2.gz RUBWNDVUTPLQFH-LLVKDONJSA-N 1 0 337.767 2.004 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000177755461 463783308 /nfs/dbraw/zinc/78/33/08/463783308.db2.gz YESHIYJAJKZMGM-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000171265028 463830775 /nfs/dbraw/zinc/83/07/75/463830775.db2.gz AGKKRPXZQDQJEM-UPJWGTAASA-N 1 0 335.404 2.481 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261700166 463831334 /nfs/dbraw/zinc/83/13/34/463831334.db2.gz FNIKTURYTQCDQR-UHFFFAOYSA-N 1 0 335.429 2.289 20 5 EEBDRO CCC[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269059009 463862259 /nfs/dbraw/zinc/86/22/59/463862259.db2.gz UAEOBZIAHHUJMX-JTQLQIEISA-N 1 0 348.325 2.269 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261797950 463864283 /nfs/dbraw/zinc/86/42/83/463864283.db2.gz LMZRXRPGFCRCHC-WDEREUQCSA-N 1 0 341.795 2.213 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269397961 463976068 /nfs/dbraw/zinc/97/60/68/463976068.db2.gz NEQLFIAEOOJNBG-NEPJUHHUSA-N 1 0 337.424 2.292 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262280720 463989731 /nfs/dbraw/zinc/98/97/31/463989731.db2.gz XCBKNVLPECYDEK-GXTWGEPZSA-N 1 0 343.387 2.122 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195369757 464046563 /nfs/dbraw/zinc/04/65/63/464046563.db2.gz HKHZNWQTWCTKKA-UHFFFAOYSA-N 1 0 333.388 2.094 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270079287 464180342 /nfs/dbraw/zinc/18/03/42/464180342.db2.gz IJKCRKUYPLCUMO-INIZCTEOSA-N 1 0 331.416 2.328 20 5 EEBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)(C)C[NH+](C)C ZINC000173049040 464183965 /nfs/dbraw/zinc/18/39/65/464183965.db2.gz XXKCIHLPJFRGFF-VIFPVBQESA-N 1 0 326.372 2.022 20 5 EEBDRO C[C@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000263786245 464191531 /nfs/dbraw/zinc/19/15/31/464191531.db2.gz PKGNTVKMWLWQLD-LBPRGKRZSA-N 1 0 335.404 2.209 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000591040988 468398595 /nfs/dbraw/zinc/39/85/95/468398595.db2.gz VJQZIIUXMPVVQI-DOMZBBRYSA-N 1 0 349.387 2.043 20 5 EEBDRO C[NH2+]Cc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000237212387 464284378 /nfs/dbraw/zinc/28/43/78/464284378.db2.gz CCKGAJZDEQMIBX-UHFFFAOYSA-N 1 0 331.376 2.156 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000173617417 464294104 /nfs/dbraw/zinc/29/41/04/464294104.db2.gz AXMVAHJILGQMEC-ZDUSSCGKSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237424339 464317820 /nfs/dbraw/zinc/31/78/20/464317820.db2.gz ZJQIQKKGAVSNBU-QWRGUYRKSA-N 1 0 336.348 2.011 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238125785 464434230 /nfs/dbraw/zinc/43/42/30/464434230.db2.gz GXCJRMHYCMEXNX-LLVKDONJSA-N 1 0 332.385 2.200 20 5 EEBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+](C)C ZINC000271977585 464434845 /nfs/dbraw/zinc/43/48/45/464434845.db2.gz DFEMKTBCAWDMGD-TZMCWYRMSA-N 1 0 336.417 2.213 20 5 EEBDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146930 464495439 /nfs/dbraw/zinc/49/54/39/464495439.db2.gz WLGGWWJQKUTWIQ-DYVFJYSZSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000181830215 464531451 /nfs/dbraw/zinc/53/14/51/464531451.db2.gz HRRWEDCHUMZJLB-LLVKDONJSA-N 1 0 336.392 2.178 20 5 EEBDRO CC[N@@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996009 464547426 /nfs/dbraw/zinc/54/74/26/464547426.db2.gz RRZYBZVFFKUWOA-OAHLLOKOSA-N 1 0 331.372 2.252 20 5 EEBDRO CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000265464568 464569239 /nfs/dbraw/zinc/56/92/39/464569239.db2.gz YGNBQATWAXDAFP-MRXNPFEDSA-N 1 0 337.376 2.163 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285496254 464584169 /nfs/dbraw/zinc/58/41/69/464584169.db2.gz XEKNZPKIOPAFLZ-PBHICJAKSA-N 1 0 346.387 2.285 20 5 EEBDRO CC[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182195172 464595680 /nfs/dbraw/zinc/59/56/80/464595680.db2.gz RLUXCULKJFNWMQ-AWEZNQCLSA-N 1 0 327.812 2.137 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272523667 464643712 /nfs/dbraw/zinc/64/37/12/464643712.db2.gz LSDNQNZCUFHMKO-UHFFFAOYSA-N 1 0 349.416 2.013 20 5 EEBDRO C[C@@H](O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000272546462 464655291 /nfs/dbraw/zinc/65/52/91/464655291.db2.gz KCOGUBWEMGQJOE-OCCSQVGLSA-N 1 0 331.372 2.495 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294958793 464662540 /nfs/dbraw/zinc/66/25/40/464662540.db2.gz CLCGJXWENXQHSE-RHSMWYFYSA-N 1 0 346.431 2.151 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599928953 468415125 /nfs/dbraw/zinc/41/51/25/468415125.db2.gz UETILQWRFXLVQR-OAHLLOKOSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[N@H+](CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585594 464669674 /nfs/dbraw/zinc/66/96/74/464669674.db2.gz YXODWYZYGDDDNC-QGZVFWFLSA-N 1 0 343.431 2.492 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295084842 464699998 /nfs/dbraw/zinc/69/99/98/464699998.db2.gz IVFHMOZQDLDWHM-GFCCVEGCSA-N 1 0 343.811 2.335 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000295196888 464741561 /nfs/dbraw/zinc/74/15/61/464741561.db2.gz JRXZUDXWWSKPRL-HALDLXJZSA-N 1 0 338.367 2.286 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 ZINC000286133563 464815411 /nfs/dbraw/zinc/81/54/11/464815411.db2.gz VGYAMLKRTDFUIR-BRWVUGGUSA-N 1 0 342.399 2.296 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286271659 464863495 /nfs/dbraw/zinc/86/34/95/464863495.db2.gz BIOJRYQCKJPXEN-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286274581 464864455 /nfs/dbraw/zinc/86/44/55/464864455.db2.gz BKYDPYRPRXTIBL-GGIWKMKYSA-N 1 0 346.383 2.317 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000176897387 464879298 /nfs/dbraw/zinc/87/92/98/464879298.db2.gz DHUKCVGNNXDXRI-UHFFFAOYSA-N 1 0 330.344 2.069 20 5 EEBDRO C[C@H](CO)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000276463279 464941421 /nfs/dbraw/zinc/94/14/21/464941421.db2.gz OWXBFVSVUKQTTQ-CYBMUJFWSA-N 1 0 347.415 2.109 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593910707 468429396 /nfs/dbraw/zinc/42/93/96/468429396.db2.gz BJSXSMJZQKJLMS-JJRVBVJISA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337424511 465361447 /nfs/dbraw/zinc/36/14/47/465361447.db2.gz RIYDNWCMJVHYBI-IOASZLSFSA-N 1 0 335.404 2.405 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000356409270 465366628 /nfs/dbraw/zinc/36/66/28/465366628.db2.gz UYWHAPDIONQJNU-OCCSQVGLSA-N 1 0 349.435 2.353 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351902653 465431321 /nfs/dbraw/zinc/43/13/21/465431321.db2.gz VGYPAPBLJXLCGB-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359967842 465512846 /nfs/dbraw/zinc/51/28/46/465512846.db2.gz ZYAUGTDFYDVYLW-UONOGXRCSA-N 1 0 345.321 2.441 20 5 EEBDRO CCOCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000360329990 465556820 /nfs/dbraw/zinc/55/68/20/465556820.db2.gz QRVNDZBPHJMWRK-UHFFFAOYSA-N 1 0 347.419 2.410 20 5 EEBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000348441276 465609093 /nfs/dbraw/zinc/60/90/93/465609093.db2.gz KMKBOVLVYVREDS-CQSZACIVSA-N 1 0 339.392 2.193 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000299246938 465664708 /nfs/dbraw/zinc/66/47/08/465664708.db2.gz CXKKRSUDYOUVMD-GHMZBOCLSA-N 1 0 338.383 2.166 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081070 465752913 /nfs/dbraw/zinc/75/29/13/465752913.db2.gz PPFQKDLEPSJLLI-SJORKVTESA-N 1 0 346.431 2.291 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088615 465761374 /nfs/dbraw/zinc/76/13/74/465761374.db2.gz SYECEAVKQXDNLK-HIFRSBDPSA-N 1 0 346.431 2.243 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338027509 465761760 /nfs/dbraw/zinc/76/17/60/465761760.db2.gz JEBJZBNWQAWZFT-MCIONIFRSA-N 1 0 334.420 2.384 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361100534 465765381 /nfs/dbraw/zinc/76/53/81/465765381.db2.gz YRNASEUYXHPXIM-LSDHHAIUSA-N 1 0 335.429 2.191 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340146156 465812287 /nfs/dbraw/zinc/81/22/87/465812287.db2.gz CEMRTDZXLHDQED-GFCCVEGCSA-N 1 0 332.404 2.465 20 5 EEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000348844451 465834088 /nfs/dbraw/zinc/83/40/88/465834088.db2.gz JZUMTEKTUZGZDA-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000591352747 468456233 /nfs/dbraw/zinc/45/62/33/468456233.db2.gz CQRIHRRUKAVGRQ-HNNXBMFYSA-N 1 0 334.420 2.359 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000548748971 468466059 /nfs/dbraw/zinc/46/60/59/468466059.db2.gz VBUFERCYQUOGDA-CQSZACIVSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000331432683 466081432 /nfs/dbraw/zinc/08/14/32/466081432.db2.gz JSFLUJRCIAKVBY-HUUCEWRRSA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340492040 466127125 /nfs/dbraw/zinc/12/71/25/466127125.db2.gz KXPZBPUFOFSGHN-LBPRGKRZSA-N 1 0 343.387 2.243 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363018361 466179708 /nfs/dbraw/zinc/17/97/08/466179708.db2.gz STFCMXDQNDUVFO-VXGBXAGGSA-N 1 0 334.376 2.352 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302780958 466184072 /nfs/dbraw/zinc/18/40/72/466184072.db2.gz RSQHXRIVCWMWNW-CQSZACIVSA-N 1 0 348.403 2.453 20 5 EEBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000372297483 466286596 /nfs/dbraw/zinc/28/65/96/466286596.db2.gz INMKJIYDKNKUML-OAHLLOKOSA-N 1 0 326.356 2.292 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000340742090 466303626 /nfs/dbraw/zinc/30/36/26/466303626.db2.gz RYBRYJTUWZTUSH-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305652142 466416029 /nfs/dbraw/zinc/41/60/29/466416029.db2.gz NYDHJRBZCLEPKN-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305674681 466422010 /nfs/dbraw/zinc/42/20/10/466422010.db2.gz ZDITZVNBGYSTKY-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000332345158 466518930 /nfs/dbraw/zinc/51/89/30/466518930.db2.gz OIHYPSYPCRVBAN-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000368232035 466589998 /nfs/dbraw/zinc/58/99/98/466589998.db2.gz YYNIFUPPCZCTRD-MRXNPFEDSA-N 1 0 344.415 2.067 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000322638529 466634120 /nfs/dbraw/zinc/63/41/20/466634120.db2.gz XGQMTOOVGOHBGA-NEPJUHHUSA-N 1 0 339.417 2.037 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000324483091 466647667 /nfs/dbraw/zinc/64/76/67/466647667.db2.gz JKBHYLDPHTXYKM-MRXNPFEDSA-N 1 0 334.347 2.401 20 5 EEBDRO CC(=O)c1ccc(N2CCC(CO)([NH2+]CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000408522917 466676967 /nfs/dbraw/zinc/67/69/67/466676967.db2.gz NIEFSRDTCDCCTL-UHFFFAOYSA-N 1 0 349.431 2.374 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423250453 466703669 /nfs/dbraw/zinc/70/36/69/466703669.db2.gz QGFLKJNHCFPZER-XJKSGUPXSA-N 1 0 329.404 2.007 20 5 EEBDRO Cc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000373283296 466752747 /nfs/dbraw/zinc/75/27/47/466752747.db2.gz GGLWZUCGONTVRV-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375703251 466866320 /nfs/dbraw/zinc/86/63/20/466866320.db2.gz WQQPGYDEHMQANT-UHFFFAOYSA-N 1 0 349.387 2.091 20 5 EEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2O1 ZINC000370503800 466904463 /nfs/dbraw/zinc/90/44/63/466904463.db2.gz YTSBXYTUPUSAGW-LLVKDONJSA-N 1 0 331.328 2.157 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000373779306 466918228 /nfs/dbraw/zinc/91/82/28/466918228.db2.gz XSTNLMUTBARGHI-YXJHDRRASA-N 1 0 349.431 2.287 20 5 EEBDRO Nc1c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cccc1[N+](=O)[O-] ZINC000423975524 466934610 /nfs/dbraw/zinc/93/46/10/466934610.db2.gz CYDGQPQIFMCCFH-UHFFFAOYSA-N 1 0 347.400 2.353 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000423985751 466937415 /nfs/dbraw/zinc/93/74/15/466937415.db2.gz VLPXOLJJNMTSRD-OAHLLOKOSA-N 1 0 343.383 2.352 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425736991 467127798 /nfs/dbraw/zinc/12/77/98/467127798.db2.gz HWMFFNATDNCPKS-GOEBONIOSA-N 1 0 332.404 2.139 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418655366 467141619 /nfs/dbraw/zinc/14/16/19/467141619.db2.gz CCJQLFIQYWZQPI-LSDHHAIUSA-N 1 0 332.404 2.124 20 5 EEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000413115486 467172962 /nfs/dbraw/zinc/17/29/62/467172962.db2.gz NTHPLVKMLWHXPJ-SNVBAGLBSA-N 1 0 347.341 2.056 20 5 EEBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413171408 467183076 /nfs/dbraw/zinc/18/30/76/467183076.db2.gz ORLZRKZCJMSDBZ-UHFFFAOYSA-N 1 0 340.399 2.456 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970291 467189742 /nfs/dbraw/zinc/18/97/42/467189742.db2.gz YOYKVOBQFOVYGY-CHWSQXEVSA-N 1 0 333.388 2.189 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1CC(C)(C)O ZINC000413248559 467196798 /nfs/dbraw/zinc/19/67/98/467196798.db2.gz OFFMZTCLQSHVOW-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413259579 467199204 /nfs/dbraw/zinc/19/92/04/467199204.db2.gz QGZVKCNBLHODPS-ZDUSSCGKSA-N 1 0 330.388 2.036 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451080222 467242028 /nfs/dbraw/zinc/24/20/28/467242028.db2.gz BBNVEGUESJMCEW-ZDUSSCGKSA-N 1 0 346.431 2.258 20 5 EEBDRO CCc1cc(NC[C@H](C)C[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420196383 467319332 /nfs/dbraw/zinc/31/93/32/467319332.db2.gz KXYMORISVRZWAT-GFCCVEGCSA-N 1 0 329.404 2.304 20 5 EEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420258781 467331718 /nfs/dbraw/zinc/33/17/18/467331718.db2.gz LOQBGFMKLHKSBL-LSDHHAIUSA-N 1 0 339.399 2.406 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420336366 467364498 /nfs/dbraw/zinc/36/44/98/467364498.db2.gz MDIGEKOMAMKTMW-WFASDCNBSA-N 1 0 334.420 2.291 20 5 EEBDRO COc1cc(CN2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420376836 467385374 /nfs/dbraw/zinc/38/53/74/467385374.db2.gz AOOFCIAODBFQRG-VHSXEESVSA-N 1 0 345.346 2.387 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435424322 467468475 /nfs/dbraw/zinc/46/84/75/467468475.db2.gz UXAJNWFBBIHJPG-CQSZACIVSA-N 1 0 343.387 2.102 20 5 EEBDRO Cc1cc(OCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431571477 467525905 /nfs/dbraw/zinc/52/59/05/467525905.db2.gz PYHUPGCAOFMDAZ-CYBMUJFWSA-N 1 0 335.404 2.130 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000408221846 467530483 /nfs/dbraw/zinc/53/04/83/467530483.db2.gz LWRFCNGEQBWBFN-UHFFFAOYSA-N 1 0 335.408 2.142 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000448599874 467595446 /nfs/dbraw/zinc/59/54/46/467595446.db2.gz AGHXLLQORNJUDZ-UHFFFAOYSA-N 1 0 340.383 2.482 20 5 EEBDRO CNc1nc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454753112 467613903 /nfs/dbraw/zinc/61/39/03/467613903.db2.gz FGASLUCHLNYZLA-CHWSQXEVSA-N 1 0 349.435 2.129 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449639735 467674085 /nfs/dbraw/zinc/67/40/85/467674085.db2.gz QGCDDWXNSSJKOC-OCCSQVGLSA-N 1 0 343.387 2.028 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000457381242 467812014 /nfs/dbraw/zinc/81/20/14/467812014.db2.gz QJOASUOZWFRJIK-NEPJUHHUSA-N 1 0 335.429 2.388 20 5 EEBDRO Cc1nc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450305807 467822845 /nfs/dbraw/zinc/82/28/45/467822845.db2.gz RLCSFSCRSVEGQW-CHWSQXEVSA-N 1 0 349.435 2.019 20 5 EEBDRO C[N@H+](CCO)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493076121 467835677 /nfs/dbraw/zinc/83/56/77/467835677.db2.gz GQVKKZKAEFTALR-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO COC(=O)CN1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000450538743 467866203 /nfs/dbraw/zinc/86/62/03/467866203.db2.gz IFKXVTSGXXKLCI-GFCCVEGCSA-N 1 0 339.367 2.339 20 5 EEBDRO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]1OC ZINC000486018821 468010807 /nfs/dbraw/zinc/01/08/07/468010807.db2.gz NLYJPJMYZCQZKZ-GVDBMIGSSA-N 1 0 331.372 2.478 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487199517 468028072 /nfs/dbraw/zinc/02/80/72/468028072.db2.gz HLFGVGJUKZIKKE-CQSZACIVSA-N 1 0 336.392 2.407 20 5 EEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)n1C ZINC000494450730 468057215 /nfs/dbraw/zinc/05/72/15/468057215.db2.gz KVYDIGPNBWOLBQ-HUUCEWRRSA-N 1 0 345.403 2.072 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517600595 468090905 /nfs/dbraw/zinc/09/09/05/468090905.db2.gz HCQSPRFNZRQLCO-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000488692630 468097473 /nfs/dbraw/zinc/09/74/73/468097473.db2.gz TXZWTEILTKOWQZ-UHFFFAOYSA-N 1 0 345.355 2.397 20 5 EEBDRO C[C@@H]1CN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000532215460 468103666 /nfs/dbraw/zinc/10/36/66/468103666.db2.gz RHRRDDLFFDMVHT-RHSMWYFYSA-N 1 0 333.432 2.226 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000589494496 468156450 /nfs/dbraw/zinc/15/64/50/468156450.db2.gz SFZHQONUXDVHSJ-UHFFFAOYSA-N 1 0 347.415 2.442 20 5 EEBDRO CNc1nccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000578378608 468202342 /nfs/dbraw/zinc/20/23/42/468202342.db2.gz JZQLPIKUGBAHTK-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000590141940 468218281 /nfs/dbraw/zinc/21/82/81/468218281.db2.gz UFHBXWFJBITHOB-KRWDZBQOSA-N 1 0 327.388 2.460 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000490736201 468243986 /nfs/dbraw/zinc/24/39/86/468243986.db2.gz VBYMEJJJKWASBA-VMZPBXKQSA-N 1 0 347.415 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](NC[C@H](O)C[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000568043797 468263414 /nfs/dbraw/zinc/26/34/14/468263414.db2.gz VGYGJVPTCADFPK-UONOGXRCSA-N 1 0 347.337 2.245 20 5 EEBDRO Cc1ccc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000582215693 468506328 /nfs/dbraw/zinc/50/63/28/468506328.db2.gz ARIQYKVPDICYOZ-UHFFFAOYSA-N 1 0 341.415 2.448 20 5 EEBDRO COc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594195745 468508514 /nfs/dbraw/zinc/50/85/14/468508514.db2.gz IOVRLAUNMJFFON-UONOGXRCSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCS2)cc1 ZINC000591759428 468516473 /nfs/dbraw/zinc/51/64/73/468516473.db2.gz NHNCHCKACXOUOY-CYBMUJFWSA-N 1 0 344.458 2.244 20 5 EEBDRO CNc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594420556 468580990 /nfs/dbraw/zinc/58/09/90/468580990.db2.gz WRMWTDJPGJLLRJ-GJZGRUSLSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254494 468665099 /nfs/dbraw/zinc/66/50/99/468665099.db2.gz FFIXTWOMPXZPNF-HUUCEWRRSA-N 1 0 347.415 2.212 20 5 EEBDRO COCc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558120402 468666488 /nfs/dbraw/zinc/66/64/88/468666488.db2.gz WJZVUYZQSMTVTG-INIZCTEOSA-N 1 0 346.383 2.271 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597853964 468693569 /nfs/dbraw/zinc/69/35/69/468693569.db2.gz FOSVWVVLHCVPPM-LLVKDONJSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000595015588 468744160 /nfs/dbraw/zinc/74/41/60/468744160.db2.gz ZFIMSAIDWBCGFG-HZSPNIEDSA-N 1 0 337.420 2.363 20 5 EEBDRO Cn1c(Sc2ccsc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000601118655 468748549 /nfs/dbraw/zinc/74/85/49/468748549.db2.gz PBDXIJYXJNPNCQ-MRVPVSSYSA-N 1 0 325.419 2.403 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598261886 468809940 /nfs/dbraw/zinc/80/99/40/468809940.db2.gz HNOIXDHTDCCPMQ-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO CC[NH2+]CCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000561204059 468875322 /nfs/dbraw/zinc/87/53/22/468875322.db2.gz FKIIOMJYOGVMDX-OAHLLOKOSA-N 1 0 334.420 2.483 20 5 EEBDRO COc1c(C(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000598540494 468906701 /nfs/dbraw/zinc/90/67/01/468906701.db2.gz LFJGLMYZSOUYIY-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)c1ccnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598598863 468927755 /nfs/dbraw/zinc/92/77/55/468927755.db2.gz FGGWTIHBFWNDKF-CYBMUJFWSA-N 1 0 348.403 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650917 468946456 /nfs/dbraw/zinc/94/64/56/468946456.db2.gz QCLXDWLNKIMUHM-OCCSQVGLSA-N 1 0 335.404 2.182 20 5 EEBDRO O=C1CCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)N1 ZINC000602638394 468980708 /nfs/dbraw/zinc/98/07/08/468980708.db2.gz BVTLYFYRYNIBAF-ZETCQYMHSA-N 1 0 348.222 2.177 20 5 EEBDRO CCc1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602665954 468998078 /nfs/dbraw/zinc/99/80/78/468998078.db2.gz FMHZADOWUWFDHU-UHFFFAOYSA-N 1 0 348.432 2.162 20 5 EEBDRO CO[C@@H]([C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602681185 469008384 /nfs/dbraw/zinc/00/83/84/469008384.db2.gz MPXOBYANIWMVAL-PXAZEXFGSA-N 1 0 334.420 2.362 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595806036 469020809 /nfs/dbraw/zinc/02/08/09/469020809.db2.gz DOFIZVIMHWGALM-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587185697 469086673 /nfs/dbraw/zinc/08/66/73/469086673.db2.gz WOMAPLVQDAVECY-GFCCVEGCSA-N 1 0 347.419 2.072 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CC[NH2+]C2 ZINC000595928983 469087624 /nfs/dbraw/zinc/08/76/24/469087624.db2.gz UYQQGDWHLMYHHZ-UHFFFAOYSA-N 1 0 331.397 2.275 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CC[C@H](O)C2)c2ccccc2)c1 ZINC000599093389 469117306 /nfs/dbraw/zinc/11/73/06/469117306.db2.gz POYRLVXEZBOXGG-RBUKOAKNSA-N 1 0 341.411 2.340 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)c2ccncc21 ZINC000599101754 469120568 /nfs/dbraw/zinc/12/05/68/469120568.db2.gz AZICFQKNHYJCDF-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccs1 ZINC000596055213 469130340 /nfs/dbraw/zinc/13/03/40/469130340.db2.gz PRYYVWPLHYBAGJ-CYBMUJFWSA-N 1 0 334.401 2.470 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000611087482 469157021 /nfs/dbraw/zinc/15/70/21/469157021.db2.gz JWJVIBOYVDNSCX-ZDUSSCGKSA-N 1 0 330.388 2.102 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000611104247 469161580 /nfs/dbraw/zinc/16/15/80/469161580.db2.gz OJOYQHJOKRGJIY-OAHLLOKOSA-N 1 0 334.420 2.379 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)OCCO2 ZINC000611261555 469213202 /nfs/dbraw/zinc/21/32/02/469213202.db2.gz YYRAIZYPTZZMDW-GFCCVEGCSA-N 1 0 344.371 2.469 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc[nH]3)C1)OCCO2 ZINC000611261827 469213297 /nfs/dbraw/zinc/21/32/97/469213297.db2.gz HLIMKYHXVNOFHJ-GFCCVEGCSA-N 1 0 344.371 2.469 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573834686 469217703 /nfs/dbraw/zinc/21/77/03/469217703.db2.gz DWXQRXVDNXSHCT-AEFFLSMTSA-N 1 0 346.431 2.257 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC000611336514 469230190 /nfs/dbraw/zinc/23/01/90/469230190.db2.gz QHHARGWJPCBKJL-AWEZNQCLSA-N 1 0 328.376 2.027 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccccc2C)CC1 ZINC000611442839 469251280 /nfs/dbraw/zinc/25/12/80/469251280.db2.gz MPTNMEFQXOYFBY-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO CC1(C)CN(C(=O)C2CC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000611463176 469254370 /nfs/dbraw/zinc/25/43/70/469254370.db2.gz KXUAGXDWNMRDCK-UHFFFAOYSA-N 1 0 347.415 2.306 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083348 469254952 /nfs/dbraw/zinc/25/49/52/469254952.db2.gz LCPCXLNGQKPKET-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602433316 469314331 /nfs/dbraw/zinc/31/43/31/469314331.db2.gz RKMVDPGHVLMTKU-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO Nc1c(F)cccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602473243 469331516 /nfs/dbraw/zinc/33/15/16/469331516.db2.gz LADRWSIISFHIEH-GFCCVEGCSA-N 1 0 331.351 2.398 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486159 469336909 /nfs/dbraw/zinc/33/69/09/469336909.db2.gz SSFVULAZNRIWKS-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000602542481 469354775 /nfs/dbraw/zinc/35/47/75/469354775.db2.gz YKNLQBPNIRTBGF-DGCLKSJQSA-N 1 0 345.321 2.123 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000619871644 469693002 /nfs/dbraw/zinc/69/30/02/469693002.db2.gz RDRAPDAJHIOJBT-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+](C)C ZINC000609624004 469950298 /nfs/dbraw/zinc/95/02/98/469950298.db2.gz QTTJMYHAZNDIQK-NSHDSACASA-N 1 0 337.376 2.030 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000610069270 469978108 /nfs/dbraw/zinc/97/81/08/469978108.db2.gz ICZOZXUYVIJSLN-HNNXBMFYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000129978121 534577253 /nfs/dbraw/zinc/57/72/53/534577253.db2.gz QZMGCWILAOABFZ-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180635553 526628024 /nfs/dbraw/zinc/62/80/24/526628024.db2.gz ZAGWZPKPHVYAOT-GFCCVEGCSA-N 1 0 329.784 2.183 20 5 EEBDRO CC1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000183332544 527976356 /nfs/dbraw/zinc/97/63/56/527976356.db2.gz HYNVEULMUDOWMX-UHFFFAOYSA-N 1 0 346.431 2.315 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192651194 528175401 /nfs/dbraw/zinc/17/54/01/528175401.db2.gz RSZYOLWEHNCBPN-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCO[C@H]21 ZINC000265971540 535072929 /nfs/dbraw/zinc/07/29/29/535072929.db2.gz KXMQZLHUOXRRSU-NUEKZKHPSA-N 1 0 334.372 2.364 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459763258 535945056 /nfs/dbraw/zinc/94/50/56/535945056.db2.gz AVQJTEHGQMIJJD-OCCSQVGLSA-N 1 0 337.376 2.089 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000263283905 536553985 /nfs/dbraw/zinc/55/39/85/536553985.db2.gz USGRSVRVFNCHCQ-XJKSGUPXSA-N 1 0 335.360 2.228 20 5 EEBDRO CON1CCC([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000459577708 536845818 /nfs/dbraw/zinc/84/58/18/536845818.db2.gz HHRRLFHTJIRVPB-UHFFFAOYSA-N 1 0 347.375 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000730805295 577057789 /nfs/dbraw/zinc/05/77/89/577057789.db2.gz AHAFGAXYNHCOPG-MRXNPFEDSA-N 1 0 329.404 2.462 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005099 577141891 /nfs/dbraw/zinc/14/18/91/577141891.db2.gz BMPOJMAZAHUQRU-UHFFFAOYSA-N 1 0 333.344 2.405 20 5 EEBDRO CC(C)(C)OC(=O)[C@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586009 577463317 /nfs/dbraw/zinc/46/33/17/577463317.db2.gz HHZZFHXWDGDWMU-HUUCEWRRSA-N 1 0 336.388 2.434 20 5 EEBDRO CC(C)NC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764843399 577489301 /nfs/dbraw/zinc/48/93/01/577489301.db2.gz AFKKSPBIDQMCIM-UHFFFAOYSA-N 1 0 334.420 2.068 20 5 EEBDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847362 577508201 /nfs/dbraw/zinc/50/82/01/577508201.db2.gz BDDWJBWZNULATH-WMZOPIPTSA-N 1 0 330.384 2.476 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768773174 577562178 /nfs/dbraw/zinc/56/21/78/577562178.db2.gz SZXIHOYRWNRAEX-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c2ncccc12 ZINC000750179865 577988520 /nfs/dbraw/zinc/98/85/20/577988520.db2.gz KRSCBEVYUVDBKW-UHFFFAOYSA-N 1 0 330.388 2.038 20 5 EEBDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740003940 578076940 /nfs/dbraw/zinc/07/69/40/578076940.db2.gz DQAAPYFQPKGVKI-UHFFFAOYSA-N 1 0 340.855 2.365 20 5 EEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000741259919 578115786 /nfs/dbraw/zinc/11/57/86/578115786.db2.gz CXHZFISPAQOTEF-ZDUSSCGKSA-N 1 0 334.328 2.091 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064119 676628608 /nfs/dbraw/zinc/62/86/08/676628608.db2.gz WZWWMSOWJOUPTP-XMTFNYHQSA-N 1 0 339.395 2.242 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001023083719 679117836 /nfs/dbraw/zinc/11/78/36/679117836.db2.gz WAZCHRYZHZWCTK-TXEJJXNPSA-N 1 0 334.401 2.343 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000255832732 679946427 /nfs/dbraw/zinc/94/64/27/679946427.db2.gz DXFIKYOQEFDODU-VUEDLFODSA-N 1 0 347.415 2.176 20 5 EEBDRO COc1c(O)ccc(C[NH2+]CCN2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000892521724 681531581 /nfs/dbraw/zinc/53/15/81/681531581.db2.gz CKGDBZXNNANPHT-UHFFFAOYSA-N 1 0 343.383 2.414 20 5 EEBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CC=CC1 ZINC001026010577 683744177 /nfs/dbraw/zinc/74/41/77/683744177.db2.gz TZLMEAJANUAJNY-FVQHAEBGSA-N 1 0 341.411 2.498 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893103559 683769530 /nfs/dbraw/zinc/76/95/30/683769530.db2.gz QKDMCKHRJSXFAA-LBPRGKRZSA-N 1 0 326.784 2.142 20 5 EEBDRO C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1C[N@H+](C)CCN1C ZINC000895247918 684383946 /nfs/dbraw/zinc/38/39/46/684383946.db2.gz KERLVWXXPVJWGR-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893399960 685712830 /nfs/dbraw/zinc/71/28/30/685712830.db2.gz BSLJCQRDMPYAPG-ZYHUDNBSSA-N 1 0 346.836 2.204 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893399957 685713037 /nfs/dbraw/zinc/71/30/37/685713037.db2.gz BSLJCQRDMPYAPG-JQWIXIFHSA-N 1 0 346.836 2.204 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1C ZINC000897235508 686299489 /nfs/dbraw/zinc/29/94/89/686299489.db2.gz TZETYYMFIYXPOO-UHFFFAOYSA-N 1 0 349.431 2.130 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000262732107 688236884 /nfs/dbraw/zinc/23/68/84/688236884.db2.gz DNDPZKZJSNUSQY-STQMWFEESA-N 1 0 341.433 2.102 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000109807435 690059630 /nfs/dbraw/zinc/05/96/30/690059630.db2.gz MUSUYDVSTBEHKK-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898849983 693484506 /nfs/dbraw/zinc/48/45/06/693484506.db2.gz WIBSUWQNPWANGI-GJZGRUSLSA-N 1 0 333.388 2.206 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H](C4OCCO4)C3)c2)cc1 ZINC000905697016 1189892369 /nfs/dbraw/zinc/89/23/69/1189892369.db2.gz TTZLOOOTJYHPKV-AWEZNQCLSA-N 1 0 344.371 2.111 20 5 EEBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867402 1189943433 /nfs/dbraw/zinc/94/34/33/1189943433.db2.gz NJGRLFFPZDROAO-VYUIOLGVSA-N 1 0 327.768 2.200 20 5 EEBDRO CCS(=O)(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872032624 1198032312 /nfs/dbraw/zinc/03/23/12/1198032312.db2.gz WVIMNVVJHAUOQQ-JTQLQIEISA-N 1 0 332.447 2.402 20 5 EEBDRO COC(=O)[C@H]1[C@@H]2CN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000813621559 1199119639 /nfs/dbraw/zinc/11/96/39/1199119639.db2.gz ZYHVBEITXWUNIQ-VIKVFOODSA-N 1 0 327.340 2.307 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825829910 1199439910 /nfs/dbraw/zinc/43/99/10/1199439910.db2.gz GEZPOALCSNBXDE-KRWDZBQOSA-N 1 0 349.431 2.401 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876688344 1199722833 /nfs/dbraw/zinc/72/28/33/1199722833.db2.gz ROYFVCYKBFYDTA-QZTJIDSGSA-N 1 0 333.432 2.243 20 5 EEBDRO C[C@H]1CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877153340 1199871179 /nfs/dbraw/zinc/87/11/79/1199871179.db2.gz HJKNJXDKPOBEEP-AWEZNQCLSA-N 1 0 333.436 2.033 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC001133036585 1200338358 /nfs/dbraw/zinc/33/83/58/1200338358.db2.gz KOOMSVLPKJQJAG-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO C[C@]([NH3+])(C(=O)NC[C@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000870869208 1200921596 /nfs/dbraw/zinc/92/15/96/1200921596.db2.gz GBGZHQFWMDJJGA-FZKQIMNGSA-N 1 0 325.368 2.225 20 5 EEBDRO CCC[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000882147475 1201822443 /nfs/dbraw/zinc/82/24/43/1201822443.db2.gz LONDFEKHFNQROG-LBPRGKRZSA-N 1 0 326.372 2.066 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000882725937 1201928966 /nfs/dbraw/zinc/92/89/66/1201928966.db2.gz FTRCARASTPKTTM-AWEZNQCLSA-N 1 0 335.404 2.341 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000869210503 1201965394 /nfs/dbraw/zinc/96/53/94/1201965394.db2.gz SGDBEWNHUSJSHW-LSDHHAIUSA-N 1 0 335.379 2.410 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000884536384 1202333030 /nfs/dbraw/zinc/33/30/30/1202333030.db2.gz ZEGKDDBXBHBLET-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001095582806 1205881657 /nfs/dbraw/zinc/88/16/57/1205881657.db2.gz LWBCAQFRMKOYBH-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001095605572 1205888812 /nfs/dbraw/zinc/88/88/12/1205888812.db2.gz RWRVPOCCPACYKS-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CN(CCCNC(=O)CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001095637960 1205899595 /nfs/dbraw/zinc/89/95/95/1205899595.db2.gz UEIRSVDMUSPFNT-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931047442 1206602728 /nfs/dbraw/zinc/60/27/28/1206602728.db2.gz YRDDZTWBJWLWEP-XJKSGUPXSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931047441 1206602739 /nfs/dbraw/zinc/60/27/39/1206602739.db2.gz YRDDZTWBJWLWEP-CZUORRHYSA-N 1 0 334.420 2.256 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931959712 1207496903 /nfs/dbraw/zinc/49/69/03/1207496903.db2.gz FACOPNAWDVQTDM-IRXDYDNUSA-N 1 0 331.416 2.499 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000934164555 1207915066 /nfs/dbraw/zinc/91/50/66/1207915066.db2.gz YKAHBMXTYHUCIU-GUIRCDHDSA-N 1 0 338.408 2.089 20 5 EEBDRO CC(C)([NH2+]CCCNC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000795233663 1212158171 /nfs/dbraw/zinc/15/81/71/1212158171.db2.gz FQHDSVSWZBHZSF-UHFFFAOYSA-N 1 0 333.310 2.488 20 5 EEBDRO CC(C)[NH+](CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000119908552 1229627384 /nfs/dbraw/zinc/62/73/84/1229627384.db2.gz HYGMUMMYGNJBFU-UHFFFAOYSA-N 1 0 349.478 2.444 20 5 EEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119972843 1229640982 /nfs/dbraw/zinc/64/09/82/1229640982.db2.gz DNNCEADWKBEUGS-UHFFFAOYSA-N 1 0 347.462 2.151 20 5 EEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900305638 1234184636 /nfs/dbraw/zinc/18/46/36/1234184636.db2.gz KLIZNENPZPCMTN-VIFPVBQESA-N 1 0 329.759 2.459 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801909444 1236401987 /nfs/dbraw/zinc/40/19/87/1236401987.db2.gz BWSWWDCWCCTWPW-QWRGUYRKSA-N 1 0 338.383 2.261 20 5 EEBDRO CC[NH+]1CCC(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000902280760 1237333418 /nfs/dbraw/zinc/33/34/18/1237333418.db2.gz DVDCMTMWUNWFBW-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001097110220 1243714774 /nfs/dbraw/zinc/71/47/74/1243714774.db2.gz BOGNJCLKKDXUCB-SHTZXODSSA-N 1 0 346.431 2.447 20 5 EEBDRO Cc1ccc(NCCN(C)C(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001101917733 1246248952 /nfs/dbraw/zinc/24/89/52/1246248952.db2.gz WJGHVPQPCRILTN-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626973 1278154839 /nfs/dbraw/zinc/15/48/39/1278154839.db2.gz PQZRCKMKJIBZAQ-NCHVAJSOSA-N 1 0 329.356 2.322 20 5 EEBDRO Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000854497170 1292811011 /nfs/dbraw/zinc/81/10/11/1292811011.db2.gz JWWCVPNGMWZCTC-HNNXBMFYSA-N 1 0 341.371 2.175 20 5 EEBDRO C[N@@H+]1CCN[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211457291 1295906551 /nfs/dbraw/zinc/90/65/51/1295906551.db2.gz KJZAKCDDBRWUQH-OAHLLOKOSA-N 1 0 346.394 2.409 20 5 EEBDRO C[C@H]1CC[C@H](C)C1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000794603192 1296476289 /nfs/dbraw/zinc/47/62/89/1296476289.db2.gz HPMLNEBIXDSGEP-RYUDHWBXSA-N 1 0 326.418 2.393 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])cc1I ZINC001218033603 1297552445 /nfs/dbraw/zinc/55/24/45/1297552445.db2.gz FJBKAGRSDIMKDW-RDDDGLTNSA-N 1 0 348.140 2.186 20 5 EEBDRO CN1CC(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001220013317 1298219808 /nfs/dbraw/zinc/21/98/08/1298219808.db2.gz QTMKSYLYBBYMDM-FQEVSTJZSA-N 1 0 333.435 2.293 20 5 EEBDRO C[N+](C)(C)CCOC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001224775433 1300733332 /nfs/dbraw/zinc/73/33/32/1300733332.db2.gz KNTAIBAFBHBVSB-UHFFFAOYSA-N 1 0 326.392 2.426 20 5 EEBDRO O=C(NC1CC[NH+](CC/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001227257622 1301751642 /nfs/dbraw/zinc/75/16/42/1301751642.db2.gz CLNNZQVFIMHUCI-PLDKWVJVSA-N 1 0 343.427 2.336 20 5 EEBDRO C[N@@H+]1CCC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227448499 1301832858 /nfs/dbraw/zinc/83/28/58/1301832858.db2.gz FOXNSHZYROGBOT-AWEZNQCLSA-N 1 0 340.379 2.394 20 5 EEBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227466269 1301840347 /nfs/dbraw/zinc/84/03/47/1301840347.db2.gz DIXFVNQYCCMAJP-UHFFFAOYSA-N 1 0 339.348 2.383 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143160 1302123480 /nfs/dbraw/zinc/12/34/80/1302123480.db2.gz JXHNYRVZFQHYOG-GXTWGEPZSA-N 1 0 344.371 2.380 20 5 EEBDRO COC(=O)c1cc(Br)cc(O)c1O[C@H](C)C[N+](C)(C)C ZINC001229582955 1302867545 /nfs/dbraw/zinc/86/75/45/1302867545.db2.gz KXTKVEUNHLMKIF-SECBINFHSA-O 1 0 347.229 2.415 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001103455488 1302985441 /nfs/dbraw/zinc/98/54/41/1302985441.db2.gz DYAIAXFFFKBSOG-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001230146886 1303085631 /nfs/dbraw/zinc/08/56/31/1303085631.db2.gz ZBGWZMVKVKOHII-ZJOBFFGXSA-N 1 0 334.372 2.449 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC001230368339 1303180482 /nfs/dbraw/zinc/18/04/82/1303180482.db2.gz LLISQDQFQIUJIJ-NSHDSACASA-N 1 0 340.811 2.484 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780768304 1303700078 /nfs/dbraw/zinc/70/00/78/1303700078.db2.gz ROWHRPPOULCOLH-PBHICJAKSA-N 1 0 343.431 2.492 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780769021 1303700334 /nfs/dbraw/zinc/70/03/34/1303700334.db2.gz VURLEUZPHJISFV-RHSMWYFYSA-N 1 0 343.431 2.492 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111813367 1303927679 /nfs/dbraw/zinc/92/76/79/1303927679.db2.gz GRMIONXVFQWNDN-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCC1 ZINC001111827138 1303954454 /nfs/dbraw/zinc/95/44/54/1303954454.db2.gz SUKBQRJCOOESLF-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cc1cnc(NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001112360217 1304491773 /nfs/dbraw/zinc/49/17/73/1304491773.db2.gz IMVRTDHDCRPNOT-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CC2CC2)CCCCC1 ZINC001115377783 1305015589 /nfs/dbraw/zinc/01/55/89/1305015589.db2.gz BPKPKQFZSSVWKW-UHFFFAOYSA-N 1 0 349.435 2.037 20 5 EEBDRO O=C(NCC1([NH2+]CCC(F)(F)F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530519 1305285693 /nfs/dbraw/zinc/28/56/93/1305285693.db2.gz BHGDKDFGQQUPNH-GHMZBOCLSA-N 1 0 337.342 2.013 20 5 EEBDRO COc1ccc(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001116590932 1305903378 /nfs/dbraw/zinc/90/33/78/1305903378.db2.gz LBPMQEINLBNLSY-CYBMUJFWSA-N 1 0 344.371 2.386 20 5 EEBDRO COc1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001120469121 1309564332 /nfs/dbraw/zinc/56/43/32/1309564332.db2.gz WFJUHHBKTXZUCW-UHFFFAOYSA-N 1 0 344.371 2.159 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001120808471 1309764455 /nfs/dbraw/zinc/76/44/55/1309764455.db2.gz GOUJMYHULURIPQ-AWEZNQCLSA-N 1 0 330.388 2.219 20 5 EEBDRO [NH3+]CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001122107617 1310222719 /nfs/dbraw/zinc/22/27/19/1310222719.db2.gz AGJCVXRHAPGTPR-CYBMUJFWSA-N 1 0 341.367 2.453 20 5 EEBDRO Cc1cnccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248213364 1310864361 /nfs/dbraw/zinc/86/43/61/1310864361.db2.gz BOZHXCVZMKQOMH-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830528949 1314539785 /nfs/dbraw/zinc/53/97/85/1314539785.db2.gz CMKNJEWTGGWDBD-INIZCTEOSA-N 1 0 339.367 2.421 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000834861496 1314884763 /nfs/dbraw/zinc/88/47/63/1314884763.db2.gz IVVXWMIKOGARHX-SECBINFHSA-N 1 0 325.674 2.258 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837175877 1315059650 /nfs/dbraw/zinc/05/96/50/1315059650.db2.gz YWBKBIJUNLRUGI-UHFFFAOYSA-N 1 0 349.416 2.204 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000839706629 1315235385 /nfs/dbraw/zinc/23/53/85/1315235385.db2.gz YMRPZYWEAZFERT-BSDSXHPESA-N 1 0 343.427 2.165 20 5 EEBDRO [NH3+][C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000841161890 1315492881 /nfs/dbraw/zinc/49/28/81/1315492881.db2.gz PFBDUJVJHMECRK-JTQLQIEISA-N 1 0 343.181 2.216 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617701 1315734138 /nfs/dbraw/zinc/73/41/38/1315734138.db2.gz RAFPTCJWNZXYQW-XJKSGUPXSA-N 1 0 345.403 2.496 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000842623713 1315736246 /nfs/dbraw/zinc/73/62/46/1315736246.db2.gz ACWJDVKSBRGHES-LLVKDONJSA-N 1 0 331.376 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCCc2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000842664610 1315749096 /nfs/dbraw/zinc/74/90/96/1315749096.db2.gz XXVJTWWCFDCUJW-GFCCVEGCSA-N 1 0 331.376 2.490 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000843085616 1315838417 /nfs/dbraw/zinc/83/84/17/1315838417.db2.gz AIGAMHQCTURIPN-DOTOQJQBSA-N 1 0 346.383 2.048 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000843125417 1315849006 /nfs/dbraw/zinc/84/90/06/1315849006.db2.gz VYRZHANUVKJAQY-ZDUSSCGKSA-N 1 0 339.823 2.436 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000843291267 1315882693 /nfs/dbraw/zinc/88/26/93/1315882693.db2.gz IFYAQUIFPKXDSO-UHFFFAOYSA-N 1 0 336.348 2.203 20 5 EEBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843352426 1315897387 /nfs/dbraw/zinc/89/73/87/1315897387.db2.gz KVNKBCQHCGSUGE-NEPJUHHUSA-N 1 0 338.795 2.013 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000843454057 1315917757 /nfs/dbraw/zinc/91/77/57/1315917757.db2.gz ILWPDWPUEDRMQL-UHTWSYAYSA-N 1 0 348.359 2.011 20 5 EEBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001152275617 1316653083 /nfs/dbraw/zinc/65/30/83/1316653083.db2.gz KBXVOUQETFFUDN-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO Cc1nc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001154846172 1317348527 /nfs/dbraw/zinc/34/85/27/1317348527.db2.gz DXMHXHCDVFVLKJ-UHFFFAOYSA-N 1 0 327.266 2.148 20 5 EEBDRO COc1cc2ncnc(NC[C@]3(F)CCCC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001155116928 1317463731 /nfs/dbraw/zinc/46/37/31/1317463731.db2.gz MMBNALDHXQWQJN-INIZCTEOSA-N 1 0 349.366 2.440 20 5 EEBDRO CCCSCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155158341 1317479813 /nfs/dbraw/zinc/47/98/13/1317479813.db2.gz WPJNYJMAWYSXNW-UHFFFAOYSA-N 1 0 325.434 2.334 20 5 EEBDRO [NH3+]CC1CN([C@@H]2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001155383897 1317574321 /nfs/dbraw/zinc/57/43/21/1317574321.db2.gz UFPFQGHYMBHMGG-MRXNPFEDSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155595924 1317665926 /nfs/dbraw/zinc/66/59/26/1317665926.db2.gz FFRKCUVZVWSCHY-SJCJKPOMSA-N 1 0 343.387 2.109 20 5 EEBDRO CN(CC/C=C/c1cccnc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155975989 1317812966 /nfs/dbraw/zinc/81/29/66/1317812966.db2.gz AIBFDIMWEVKAPM-GORDUTHDSA-N 1 0 340.387 2.006 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001254562355 1318122052 /nfs/dbraw/zinc/12/20/52/1318122052.db2.gz KVFJLTJQHVHYBA-MRXNPFEDSA-N 1 0 346.475 2.238 20 5 EEBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580736 1318131251 /nfs/dbraw/zinc/13/12/51/1318131251.db2.gz FBWCHOTVTYCMOH-QGZVFWFLSA-N 1 0 339.395 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3cnccn3)C1)C2 ZINC001254612464 1318146117 /nfs/dbraw/zinc/14/61/17/1318146117.db2.gz WPAXIFPNGVVCJX-CVEARBPZSA-N 1 0 326.356 2.005 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001156922643 1318290662 /nfs/dbraw/zinc/29/06/62/1318290662.db2.gz LGVJLWLCRPEFSO-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cnoc3)CC2)ccc1[N+](=O)[O-] ZINC001256086884 1318645487 /nfs/dbraw/zinc/64/54/87/1318645487.db2.gz HEEUTUAMQLWKKD-UHFFFAOYSA-N 1 0 332.360 2.350 20 5 EEBDRO COc1cc(N2CCC(N3CCO[C@@H]4C[C@@H]43)CC2)ccc1[N+](=O)[O-] ZINC001256101677 1318647107 /nfs/dbraw/zinc/64/71/07/1318647107.db2.gz QTDVBSMMITVWJS-DOTOQJQBSA-N 1 0 333.388 2.045 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCOC4(CC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101317 1318647867 /nfs/dbraw/zinc/64/78/67/1318647867.db2.gz DWIXWHBGQHGGFQ-UHFFFAOYSA-N 1 0 347.415 2.437 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157689066 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CC1(C)CCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001328168725 1334409160 /nfs/dbraw/zinc/40/91/60/1334409160.db2.gz YWSQRIXMMIYQBH-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO COC1CCC([N@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609313648 1351929876 /nfs/dbraw/zinc/92/98/76/1351929876.db2.gz OZCIXZPZAXJDRH-UHFFFAOYSA-N 1 0 346.391 2.164 20 5 EEBDRO CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[NH2+]C1 ZINC001331001906 1334944854 /nfs/dbraw/zinc/94/48/54/1334944854.db2.gz XZABZLDNEIZZSM-HNNXBMFYSA-N 1 0 346.431 2.022 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC001335480933 1336382778 /nfs/dbraw/zinc/38/27/78/1336382778.db2.gz DBNCLHXAKWRWAQ-IUIKQTSFSA-N 1 0 334.372 2.356 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001335539104 1336392223 /nfs/dbraw/zinc/39/22/23/1336392223.db2.gz FMEGMTUVSYPONQ-ALQDCCJHSA-N 1 0 340.379 2.262 20 5 EEBDRO 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COc1ncnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001167087218 757234061 /nfs/dbraw/zinc/23/40/61/757234061.db2.gz OBBLBDFYXJRWBC-UHFFFAOYSA-N 1 0 343.318 2.122 20 5 EEBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc3nsnc3c2[N+](=O)[O-])c1 ZINC001167314576 757913271 /nfs/dbraw/zinc/91/32/71/757913271.db2.gz XSHGECGEXYDBIQ-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000780866704 760670395 /nfs/dbraw/zinc/67/03/95/760670395.db2.gz KVYLOQJMBWCWDT-JTQLQIEISA-N 1 0 347.824 2.011 20 5 EEBDRO CC(=O)Nc1ccc(-n2nc(C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001167698111 761860936 /nfs/dbraw/zinc/86/09/36/761860936.db2.gz MLJLXUIYSNXKBC-UHFFFAOYSA-N 1 0 325.328 2.351 20 5 EEBDRO [NH3+]Cc1nn(-c2ncnc3sc([N+](=O)[O-])cc32)c2ccccc12 ZINC001167698165 761862137 /nfs/dbraw/zinc/86/21/37/761862137.db2.gz UPNSRIGLORUMBI-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938184 780320196 /nfs/dbraw/zinc/32/01/96/780320196.db2.gz BXWFLHBCDIZMJF-TVQRCGJNSA-N 1 0 326.194 2.498 20 5 EEBDRO COc1cc2c(cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)OCO2 ZINC000809735015 783318917 /nfs/dbraw/zinc/31/89/17/783318917.db2.gz QAKJSLLLKYQOLU-UHFFFAOYSA-N 1 0 345.355 2.297 20 5 EEBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000818008404 785163891 /nfs/dbraw/zinc/16/38/91/785163891.db2.gz GCRIFHXDOCUZCZ-UONOGXRCSA-N 1 0 346.431 2.252 20 5 EEBDRO CC(C)CC(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818980209 785349767 /nfs/dbraw/zinc/34/97/67/785349767.db2.gz AHKHPPDVKVYFOO-QGZVFWFLSA-N 1 0 349.431 2.255 20 5 EEBDRO COc1cccc2c1OC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819014447 785383420 /nfs/dbraw/zinc/38/34/20/785383420.db2.gz PVNNQIOTHVPGHO-ZBFHGGJFSA-N 1 0 344.367 2.230 20 5 EEBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819112623 785430487 /nfs/dbraw/zinc/43/04/87/785430487.db2.gz GHFOESORRUGSBA-CORIIIEPSA-N 1 0 326.418 2.208 20 5 EEBDRO Cc1cccn2cc(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000819125383 785434614 /nfs/dbraw/zinc/43/46/14/785434614.db2.gz DTBPTXKVVURKOY-QGZVFWFLSA-N 1 0 340.383 2.417 20 5 EEBDRO COc1ccc(OC)c([C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000819190895 785455684 /nfs/dbraw/zinc/45/56/84/785455684.db2.gz LPZTVMFSLYFXTE-QGZVFWFLSA-N 1 0 346.383 2.478 20 5 EEBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819263271 785497250 /nfs/dbraw/zinc/49/72/50/785497250.db2.gz UKKQCEFWPIXKFU-SMDDNHRTSA-N 1 0 339.392 2.131 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819275493 785504111 /nfs/dbraw/zinc/50/41/11/785504111.db2.gz VWNBITBAOUKWCD-SMDDNHRTSA-N 1 0 339.392 2.131 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1C ZINC000908610071 785565612 /nfs/dbraw/zinc/56/56/12/785565612.db2.gz KUZLRCGWSWSKBE-UHFFFAOYSA-N 1 0 349.431 2.177 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])o1 ZINC000820070523 785769804 /nfs/dbraw/zinc/76/98/04/785769804.db2.gz DUMUELMXVDXJGF-VIKVFOODSA-N 1 0 327.340 2.048 20 5 EEBDRO CC(C)n1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001170951482 785998621 /nfs/dbraw/zinc/99/86/21/785998621.db2.gz GLTYTQHVGRCALQ-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822863803 787442244 /nfs/dbraw/zinc/44/22/44/787442244.db2.gz UZEXVNZAWHSVCH-NWDGAFQWSA-N 1 0 332.360 2.433 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001107565058 787665903 /nfs/dbraw/zinc/66/59/03/787665903.db2.gz MVKIZQNAPJKRPJ-ARJAWSKDSA-N 1 0 346.431 2.472 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636338 789244399 /nfs/dbraw/zinc/24/43/99/789244399.db2.gz PNYKMYZMUMGSDG-BBRMVZONSA-N 1 0 329.404 2.318 20 5 EEBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000846100828 790061858 /nfs/dbraw/zinc/06/18/58/790061858.db2.gz UVDHEKHLPMTDPM-BPLDGKMQSA-N 1 0 337.445 2.002 20 5 EEBDRO [NH3+]CC1(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846152628 790064553 /nfs/dbraw/zinc/06/45/53/790064553.db2.gz BATCEOGJPRMCTF-UHFFFAOYSA-N 1 0 326.784 2.176 20 5 EEBDRO O=C(CCCc1ccccn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148585656 792569889 /nfs/dbraw/zinc/56/98/89/792569889.db2.gz GVJZMAIYHDISLK-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO C[N@H+](CCC(=O)NCCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001094008787 795856514 /nfs/dbraw/zinc/85/65/14/795856514.db2.gz YJDONPACCTWRCU-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cc1ccnc(NCCCNC(=O)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001094455502 796265070 /nfs/dbraw/zinc/26/50/70/796265070.db2.gz SORLTXHSNXJYHL-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)NCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001094568272 796409736 /nfs/dbraw/zinc/40/97/36/796409736.db2.gz ODBUAQJRMXZRDS-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CC(C)(O)CN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912776 797170628 /nfs/dbraw/zinc/17/06/28/797170628.db2.gz MEDXQHJVYNBZPR-QGZVFWFLSA-N 1 0 347.459 2.231 20 5 EEBDRO C[C@]1(O)CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009600 797195200 /nfs/dbraw/zinc/19/52/00/797195200.db2.gz FEAYIOVWUFDPBM-INIZCTEOSA-N 1 0 341.358 2.299 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ccncn3)CC2)c(F)c1 ZINC001173012727 797196331 /nfs/dbraw/zinc/19/63/31/797196331.db2.gz XLBMNPWWAOJEGZ-UHFFFAOYSA-N 1 0 349.341 2.422 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2cccnc2)c1F ZINC001173194110 797282644 /nfs/dbraw/zinc/28/26/44/797282644.db2.gz XZLCPTYCPMXXBY-XHDPSFHLSA-N 1 0 349.362 2.392 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001173228900 797311394 /nfs/dbraw/zinc/31/13/94/797311394.db2.gz ZYJNSCRXYCTLTF-SKDZVZGDSA-N 1 0 343.427 2.326 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001173232373 797312735 /nfs/dbraw/zinc/31/27/35/797312735.db2.gz QSWIGCZSWQVXLZ-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001095270080 797667464 /nfs/dbraw/zinc/66/74/64/797667464.db2.gz XLXKPORLHRPCSU-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CN(c1ncccc1NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170053951 806659064 /nfs/dbraw/zinc/65/90/64/806659064.db2.gz ZFOVGLIRAFBUIF-UHFFFAOYSA-N 1 0 343.387 2.416 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463490 799486590 /nfs/dbraw/zinc/48/65/90/799486590.db2.gz FAXVGXGILHAINQ-ZIAGYGMSSA-N 1 0 325.434 2.180 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786832422 806897357 /nfs/dbraw/zinc/89/73/57/806897357.db2.gz YVWIUOQCJAPBNM-UHFFFAOYSA-N 1 0 334.420 2.369 20 5 EEBDRO CC1(C)CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001086082929 802111261 /nfs/dbraw/zinc/11/12/61/802111261.db2.gz IHDSWHGIVOHEGD-QKPAOTATSA-N 1 0 337.464 2.352 20 5 EEBDRO CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363529 802829684 /nfs/dbraw/zinc/82/96/84/802829684.db2.gz ZOHKGSSWOMOEKO-MOIQIXESSA-N 1 0 345.443 2.460 20 5 EEBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168986115 803541970 /nfs/dbraw/zinc/54/19/70/803541970.db2.gz VYOUABSKRLHFTJ-KSZLIROESA-N 1 0 345.443 2.255 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967110 803552742 /nfs/dbraw/zinc/55/27/42/803552742.db2.gz NHLPRDOYXLOHGD-SUMWQHHRSA-N 1 0 349.406 2.465 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168968791 803553478 /nfs/dbraw/zinc/55/34/78/803553478.db2.gz AKEKYMSIQMLOAS-QRTUWBSPSA-N 1 0 339.436 2.277 20 5 EEBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168993568 803561549 /nfs/dbraw/zinc/56/15/49/803561549.db2.gz NHAGQQOSTNKLAL-CHWSQXEVSA-N 1 0 327.425 2.469 20 5 EEBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cnc([N+](=O)[O-])cn1 ZINC001168996122 803562506 /nfs/dbraw/zinc/56/25/06/803562506.db2.gz PCYXWDCRATZMAR-UHFFFAOYSA-N 1 0 332.751 2.268 20 5 EEBDRO COc1cccnc1C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997564 803563168 /nfs/dbraw/zinc/56/31/68/803563168.db2.gz DLNUBCORKZLAOD-LSDHHAIUSA-N 1 0 349.431 2.173 20 5 EEBDRO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006332 803567800 /nfs/dbraw/zinc/56/78/00/803567800.db2.gz XNSRXSROGONUSH-XJFOESAGSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169007097 803568343 /nfs/dbraw/zinc/56/83/43/803568343.db2.gz KZYTWYALXMYFFH-AIEDFZFUSA-N 1 0 339.436 2.134 20 5 EEBDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018189 803587097 /nfs/dbraw/zinc/58/70/97/803587097.db2.gz CBTJUARQTABEJR-NOCIGQNYSA-N 1 0 343.427 2.038 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001169023498 803589641 /nfs/dbraw/zinc/58/96/41/803589641.db2.gz UYKYOCGHEHMWQI-XWTMOSNGSA-N 1 0 338.448 2.482 20 5 EEBDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054232 803596250 /nfs/dbraw/zinc/59/62/50/803596250.db2.gz KZJVGACDVOXPTB-BPUTZDHNSA-N 1 0 329.400 2.162 20 5 EEBDRO CN1Cc2cc(-n3cc(CC[NH3+])c4ncccc43)cc([N+](=O)[O-])c2N1 ZINC001169709469 803981134 /nfs/dbraw/zinc/98/11/34/803981134.db2.gz ORUWQTRLCBFTLA-UHFFFAOYSA-N 1 0 338.371 2.207 20 5 EEBDRO COC(=O)C12CC([NH2+][C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])(C1)C2 ZINC001170297220 809869577 /nfs/dbraw/zinc/86/95/77/809869577.db2.gz MGAKAGSYEXOUSO-LBWKMTJJSA-N 1 0 334.372 2.220 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170305877 809876656 /nfs/dbraw/zinc/87/66/56/809876656.db2.gz RCXWXDRUIFXMMA-JSGCOSHPSA-N 1 0 335.404 2.133 20 5 EEBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170279999 809877143 /nfs/dbraw/zinc/87/71/43/809877143.db2.gz RPHYTDUMRQOGOT-KFWWJZLASA-N 1 0 327.356 2.179 20 5 EEBDRO CC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170355849 809903982 /nfs/dbraw/zinc/90/39/82/809903982.db2.gz REBFVCGGMJMWRE-FVQBIDKESA-N 1 0 333.432 2.418 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000807925044 812388274 /nfs/dbraw/zinc/38/82/74/812388274.db2.gz FWBCJXLZSTVTOI-CQSZACIVSA-N 1 0 337.424 2.175 20 5 EEBDRO Cc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572778 813015141 /nfs/dbraw/zinc/01/51/41/813015141.db2.gz SBWKAQJCJPSCPN-IUODEOHRSA-N 1 0 343.387 2.149 20 5 EEBDRO COC(=O)c1cnc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001515986934 1118992811 /nfs/dbraw/zinc/99/28/11/1118992811.db2.gz FFSRAIRCMXJGFB-LBPRGKRZSA-N 1 0 348.403 2.230 20 5 EEBDRO CN(C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000052753586 214143643 /nfs/dbraw/zinc/14/36/43/214143643.db2.gz POSHQDRCDTZZSY-CYBMUJFWSA-N 1 0 333.388 2.059 20 5 EEBDRO Nc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000177418710 231887247 /nfs/dbraw/zinc/88/72/47/231887247.db2.gz NWAPUZHWBCWQKE-UHFFFAOYSA-N 1 0 332.404 2.314 20 5 EEBDRO CCC[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236770406 535159982 /nfs/dbraw/zinc/15/99/82/535159982.db2.gz ZMQAUTLFJHNAFU-UHFFFAOYSA-N 1 0 344.209 2.016 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000183636493 235176018 /nfs/dbraw/zinc/17/60/18/235176018.db2.gz LRCSCGJIHLMMKI-HNNXBMFYSA-N 1 0 332.356 2.305 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237399308 296024086 /nfs/dbraw/zinc/02/40/86/296024086.db2.gz POIZFOUKPCAHNT-KOLCDFICSA-N 1 0 347.824 2.139 20 5 EEBDRO COc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000191282647 239013933 /nfs/dbraw/zinc/01/39/33/239013933.db2.gz VDEVYQQTCFCPPK-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO C[C@H]1C[NH2+]CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422763221 240213040 /nfs/dbraw/zinc/21/30/40/240213040.db2.gz UENFMQKKYAULPV-VIFPVBQESA-N 1 0 329.809 2.161 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193673907 240259704 /nfs/dbraw/zinc/25/97/04/240259704.db2.gz SZTLWXPNLUXPRA-BDJLRTHQSA-N 1 0 329.356 2.469 20 5 EEBDRO COC[C@@]1(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423633288 240554730 /nfs/dbraw/zinc/55/47/30/240554730.db2.gz LDUKELSXZBNIKX-KRWDZBQOSA-N 1 0 335.404 2.018 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CC[NH2+]CC1 ZINC000237476972 242656924 /nfs/dbraw/zinc/65/69/24/242656924.db2.gz DBEULSRRPFUSMR-SNVBAGLBSA-N 1 0 341.795 2.226 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451222003 243038687 /nfs/dbraw/zinc/03/86/87/243038687.db2.gz LANRPLAUQGNGGV-IANCKSLQSA-N 1 0 331.416 2.451 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750003 245235518 /nfs/dbraw/zinc/23/55/18/245235518.db2.gz HFRNLVNQIGWREX-GJZGRUSLSA-N 1 0 333.388 2.389 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000049946159 214036867 /nfs/dbraw/zinc/03/68/67/214036867.db2.gz YGOXRRRBLVAPFD-UHFFFAOYSA-N 1 0 345.403 2.098 20 5 EEBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000078543765 217071428 /nfs/dbraw/zinc/07/14/28/217071428.db2.gz LFOMYAKZOLORDJ-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000079069784 217187144 /nfs/dbraw/zinc/18/71/44/217187144.db2.gz KDGFEHBFSJHERH-AWEZNQCLSA-N 1 0 346.431 2.394 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000494456699 246956452 /nfs/dbraw/zinc/95/64/52/246956452.db2.gz XVYIDMAWJIODPY-XJKSGUPXSA-N 1 0 347.371 2.050 20 5 EEBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000266561818 248361491 /nfs/dbraw/zinc/36/14/91/248361491.db2.gz JRNSRNBISRHODF-GOEBONIOSA-N 1 0 332.404 2.462 20 5 EEBDRO CC(C)[NH+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000012141582 211303893 /nfs/dbraw/zinc/30/38/93/211303893.db2.gz DSYXDLRSBVSZNW-UHFFFAOYSA-N 1 0 343.449 2.133 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000095415878 218354025 /nfs/dbraw/zinc/35/40/25/218354025.db2.gz IGEUTQAHWDOUSD-CYBMUJFWSA-N 1 0 330.388 2.300 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]([NH+]4CC=CC4)C3)n2)cc1 ZINC000486964013 285106876 /nfs/dbraw/zinc/10/68/76/285106876.db2.gz AJUWKHPXHSPJMP-AWEZNQCLSA-N 1 0 327.344 2.095 20 5 EEBDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094883 256112319 /nfs/dbraw/zinc/11/23/19/256112319.db2.gz CLTPCIAHFCIZID-WQGACYEGSA-N 1 0 332.404 2.438 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000270586931 256150396 /nfs/dbraw/zinc/15/03/96/256150396.db2.gz XLLPQCQEGKAQLP-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841883 221193339 /nfs/dbraw/zinc/19/33/39/221193339.db2.gz YDCODGWJSLUUGB-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270764081 256169261 /nfs/dbraw/zinc/16/92/61/256169261.db2.gz NFDAJCGCTIQECJ-UHFFFAOYSA-N 1 0 339.461 2.329 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014977 256346287 /nfs/dbraw/zinc/34/62/87/256346287.db2.gz MBVKOZHEGLBEOZ-GRYCIOLGSA-N 1 0 337.376 2.099 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000275964443 256391433 /nfs/dbraw/zinc/39/14/33/256391433.db2.gz CHRWTACCFAJOHX-QWRGUYRKSA-N 1 0 345.346 2.088 20 5 EEBDRO Cn1cc(CN2CC[NH2+]C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263259584 140897209 /nfs/dbraw/zinc/89/72/09/140897209.db2.gz SAVYTOXBMCNZFP-UHFFFAOYSA-N 1 0 329.404 2.179 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000262596546 152296334 /nfs/dbraw/zinc/29/63/34/152296334.db2.gz YLLXXBNKWVKBHW-UHFFFAOYSA-N 1 0 345.403 2.052 20 5 EEBDRO CC[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000122264574 292271726 /nfs/dbraw/zinc/27/17/26/292271726.db2.gz HXOWLNJIGYMACY-UHFFFAOYSA-N 1 0 332.404 2.147 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@H+](C)C1CC1 ZINC000359485799 153392023 /nfs/dbraw/zinc/39/20/23/153392023.db2.gz GRACDHZNBHMGCW-UHFFFAOYSA-N 1 0 325.340 2.417 20 5 EEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374306335 154043316 /nfs/dbraw/zinc/04/33/16/154043316.db2.gz DFTRNPGUTZMACY-ZWKOTPCHSA-N 1 0 339.395 2.351 20 5 EEBDRO CC[NH+](CC)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068265591 159018036 /nfs/dbraw/zinc/01/80/36/159018036.db2.gz JZLOQYRAJNTYRC-LLVKDONJSA-N 1 0 343.811 2.474 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000075635401 159075575 /nfs/dbraw/zinc/07/55/75/159075575.db2.gz INYOIOSKUFLJIF-AWEZNQCLSA-N 1 0 334.420 2.256 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080175509 159139894 /nfs/dbraw/zinc/13/98/94/159139894.db2.gz OZRHDUBPJKZARZ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000090552627 159197629 /nfs/dbraw/zinc/19/76/29/159197629.db2.gz GQAPHTOZOAZHTC-MRXNPFEDSA-N 1 0 328.372 2.297 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186511864 160073176 /nfs/dbraw/zinc/07/31/76/160073176.db2.gz LGPGQDMDFFMDQJ-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245930205 160257983 /nfs/dbraw/zinc/25/79/83/160257983.db2.gz ZVIGNZYPJNYVRV-GZBFAFLISA-N 1 0 335.404 2.238 20 5 EEBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(-n2cccn2)c1 ZINC000341869972 161020248 /nfs/dbraw/zinc/02/02/48/161020248.db2.gz QYQAHUOANJXDHX-LBPRGKRZSA-N 1 0 326.360 2.365 20 5 EEBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356138780 163346902 /nfs/dbraw/zinc/34/69/02/163346902.db2.gz CSWMRCHVAZQPJC-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)CCO1 ZINC000356168392 163356601 /nfs/dbraw/zinc/35/66/01/163356601.db2.gz HFZHFSQYHPXSCJ-LLVKDONJSA-N 1 0 338.383 2.006 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000356222837 163370931 /nfs/dbraw/zinc/37/09/31/163370931.db2.gz PIBSMLXJCPFHNL-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])nn3C)CC2)CC1 ZINC000356714062 163519799 /nfs/dbraw/zinc/51/97/99/163519799.db2.gz PIDTUYRFKVCVGI-UHFFFAOYSA-N 1 0 349.435 2.101 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000368034979 166040108 /nfs/dbraw/zinc/04/01/08/166040108.db2.gz KXDKXNHKAILCLP-ZDUSSCGKSA-N 1 0 347.371 2.024 20 5 EEBDRO Cc1cc(C(=O)NCc2ccc(-n3ccnc3)nc2)cc([N+](=O)[O-])c1 ZINC000364007383 165002897 /nfs/dbraw/zinc/00/28/97/165002897.db2.gz DZLYDJOQVKQZQI-UHFFFAOYSA-N 1 0 337.339 2.414 20 5 EEBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000369531471 166280163 /nfs/dbraw/zinc/28/01/63/166280163.db2.gz KTZRRLBQPPIETJ-IYBDPMFKSA-N 1 0 341.415 2.205 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160222309 225366042 /nfs/dbraw/zinc/36/60/42/225366042.db2.gz WKHQQTBMUWJYAV-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000122046414 222002396 /nfs/dbraw/zinc/00/23/96/222002396.db2.gz MMMQUWAJGQJRRF-LBPRGKRZSA-N 1 0 339.367 2.103 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000272625728 269000568 /nfs/dbraw/zinc/00/05/68/269000568.db2.gz VLAITBHGTNHODS-GHMZBOCLSA-N 1 0 341.795 2.226 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272697293 269010416 /nfs/dbraw/zinc/01/04/16/269010416.db2.gz YBRDGMCFMBSBEL-SMDDNHRTSA-N 1 0 335.429 2.483 20 5 EEBDRO COc1cc(C[NH2+]CCC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000274899878 269071367 /nfs/dbraw/zinc/07/13/67/269071367.db2.gz GVQBANBQBZRSDL-UHFFFAOYSA-N 1 0 348.346 2.498 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000277244424 269144809 /nfs/dbraw/zinc/14/48/09/269144809.db2.gz JMANFSICSAFKMG-LLVKDONJSA-N 1 0 349.416 2.156 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277907858 269196702 /nfs/dbraw/zinc/19/67/02/269196702.db2.gz XDDSLQVHAQTKSE-YEWWUXTCSA-N 1 0 344.415 2.406 20 5 EEBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279907762 269314839 /nfs/dbraw/zinc/31/48/39/269314839.db2.gz VLFSJFCGTGHHAI-UKRRQHHQSA-N 1 0 347.415 2.109 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000281155042 269408808 /nfs/dbraw/zinc/40/88/08/269408808.db2.gz BBCKIFSPXCYSES-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000269663632 274116762 /nfs/dbraw/zinc/11/67/62/274116762.db2.gz RJWDPTJZQCDEEA-ZFWWWQNUSA-N 1 0 332.360 2.199 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000272711102 274179029 /nfs/dbraw/zinc/17/90/29/274179029.db2.gz KSPOZXCSGKOJRY-GFCCVEGCSA-N 1 0 335.389 2.476 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000278517745 274363806 /nfs/dbraw/zinc/36/38/06/274363806.db2.gz MOUKNGPLLGWXEO-XVJNWHFHSA-N 1 0 347.415 2.225 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262602 274464199 /nfs/dbraw/zinc/46/41/99/274464199.db2.gz MKBMXIYQONJGBT-IMJJTQAJSA-N 1 0 345.399 2.131 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285533925 274748447 /nfs/dbraw/zinc/74/84/47/274748447.db2.gz LDGTWWZMJLECMZ-KFWWJZLASA-N 1 0 346.431 2.480 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000287695832 274984345 /nfs/dbraw/zinc/98/43/45/274984345.db2.gz DUJMAQVFPCDGEQ-UHFFFAOYSA-N 1 0 332.335 2.464 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000097349478 275033993 /nfs/dbraw/zinc/03/39/93/275033993.db2.gz MCNTZBVBOTYXBC-SECBINFHSA-N 1 0 347.156 2.363 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000288244051 275038392 /nfs/dbraw/zinc/03/83/92/275038392.db2.gz BCWORGSIUOJMBU-VIFPVBQESA-N 1 0 348.325 2.363 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000084134387 275041982 /nfs/dbraw/zinc/04/19/82/275041982.db2.gz MXFKPVFKYJHCNJ-INIZCTEOSA-N 1 0 330.388 2.125 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCc2occc2C1 ZINC000288869848 275089199 /nfs/dbraw/zinc/08/91/99/275089199.db2.gz QLDQXOJCGBKBFJ-CQSZACIVSA-N 1 0 332.356 2.376 20 5 EEBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966395 275166164 /nfs/dbraw/zinc/16/61/64/275166164.db2.gz ZGXYIIRRDLMVGH-JPQUEUOBSA-N 1 0 331.416 2.403 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290103936 275179931 /nfs/dbraw/zinc/17/99/31/275179931.db2.gz KDYTYHWYCJWQCY-CQSZACIVSA-N 1 0 333.388 2.065 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000290791305 275240148 /nfs/dbraw/zinc/24/01/48/275240148.db2.gz CYWTXBNTKWZCBX-NSHDSACASA-N 1 0 333.392 2.321 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291395662 275301386 /nfs/dbraw/zinc/30/13/86/275301386.db2.gz BMXFNNGHIWOTQT-HNNXBMFYSA-N 1 0 343.387 2.375 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136732622 276306357 /nfs/dbraw/zinc/30/63/57/276306357.db2.gz WGWSSAVSPQYTHB-ZDUSSCGKSA-N 1 0 344.415 2.419 20 5 EEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447586426 278175531 /nfs/dbraw/zinc/17/55/31/278175531.db2.gz NSHKSIYZEWLWRK-PHYLKHFNSA-N 1 0 328.438 2.022 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000424036966 278350797 /nfs/dbraw/zinc/35/07/97/278350797.db2.gz FVYBAKQAJNDPBQ-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263316190 280165745 /nfs/dbraw/zinc/16/57/45/280165745.db2.gz ZMSSTCTZORASRC-KSSFIOAISA-N 1 0 346.431 2.151 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000191365265 281838710 /nfs/dbraw/zinc/83/87/10/281838710.db2.gz VRSLXVJOIQOLJE-OAHLLOKOSA-N 1 0 346.431 2.394 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491532558 289137040 /nfs/dbraw/zinc/13/70/40/289137040.db2.gz LNDXDIKAWOFPJV-YDZSZYSISA-N 1 0 347.415 2.177 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000281597345 292768820 /nfs/dbraw/zinc/76/88/20/292768820.db2.gz RQMVIDZNEVUSKX-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293109102 293127981 /nfs/dbraw/zinc/12/79/81/293127981.db2.gz YILBICJHNRKTBD-KDOFPFPSSA-N 1 0 346.431 2.340 20 5 EEBDRO CCn1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000295269296 293666568 /nfs/dbraw/zinc/66/65/68/293666568.db2.gz ARCGIRXLKCWUGR-NWDGAFQWSA-N 1 0 331.376 2.489 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000295873350 293837936 /nfs/dbraw/zinc/83/79/36/293837936.db2.gz CTSWYFYRRVIDSS-UHFFFAOYSA-N 1 0 333.310 2.482 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296827745 294077202 /nfs/dbraw/zinc/07/72/02/294077202.db2.gz RLLMZDOUFZGLBZ-UHFFFAOYSA-N 1 0 347.415 2.406 20 5 EEBDRO C[N@@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000297888259 294366092 /nfs/dbraw/zinc/36/60/92/294366092.db2.gz NWLMBBHCBMQGLU-UHFFFAOYSA-N 1 0 330.388 2.430 20 5 EEBDRO C[C@H]1C[NH+](CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000302147943 294933926 /nfs/dbraw/zinc/93/39/26/294933926.db2.gz IYDHUMVULJXTOB-KBPBESRZSA-N 1 0 349.435 2.101 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000362782336 302037976 /nfs/dbraw/zinc/03/79/76/302037976.db2.gz QIDNRQQPDILGEZ-IJEWVQPXSA-N 1 0 347.415 2.227 20 5 EEBDRO CC(C)[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000332641642 312038951 /nfs/dbraw/zinc/03/89/51/312038951.db2.gz VZXRWCZRFLKYMM-QGZVFWFLSA-N 1 0 346.431 2.385 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(-n3ccnc3)c2)n1 ZINC000350899102 312351146 /nfs/dbraw/zinc/35/11/46/312351146.db2.gz JGUZQUMZJVIOBB-UHFFFAOYSA-N 1 0 337.299 2.231 20 5 EEBDRO COc1ccc(CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417186995 313443757 /nfs/dbraw/zinc/44/37/57/313443757.db2.gz GBYCJCRUZUNTJW-WCQYABFASA-N 1 0 336.392 2.015 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000417997899 313682904 /nfs/dbraw/zinc/68/29/04/313682904.db2.gz UQLDXGZXIYWWHW-GHMZBOCLSA-N 1 0 340.811 2.183 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418421675 313808733 /nfs/dbraw/zinc/80/87/33/313808733.db2.gz IEPGNKDEPGISAP-HOCLYGCPSA-N 1 0 334.420 2.296 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420435999 313957866 /nfs/dbraw/zinc/95/78/66/313957866.db2.gz AEAMXULVMYRAQB-LLVKDONJSA-N 1 0 347.824 2.059 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000420997334 314019120 /nfs/dbraw/zinc/01/91/20/314019120.db2.gz GYMKXYXQQSCDOY-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421022798 314028526 /nfs/dbraw/zinc/02/85/26/314028526.db2.gz VGCLRKWTDWULSP-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440403663 315129004 /nfs/dbraw/zinc/12/90/04/315129004.db2.gz DGXIXWJOCXXDEA-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441378021 315183579 /nfs/dbraw/zinc/18/35/79/315183579.db2.gz CPIQTKOCTAWGHF-WMZOPIPTSA-N 1 0 344.415 2.168 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(C)C ZINC000444176387 315280192 /nfs/dbraw/zinc/28/01/92/315280192.db2.gz PARYXQDRAGIWAP-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524314255 317013848 /nfs/dbraw/zinc/01/38/48/317013848.db2.gz JCGCPPARNKDPNU-UONOGXRCSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccc(CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000525165208 317041640 /nfs/dbraw/zinc/04/16/40/317041640.db2.gz DDTZQUKEDDEMOE-HNNXBMFYSA-N 1 0 349.431 2.479 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526066703 317113596 /nfs/dbraw/zinc/11/35/96/317113596.db2.gz OZXQOPQJOHCZLO-UHFFFAOYSA-N 1 0 337.376 2.127 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c(F)c1 ZINC000563218169 318985546 /nfs/dbraw/zinc/98/55/46/318985546.db2.gz RMMVUVAKPLWCNM-UHFFFAOYSA-N 1 0 337.395 2.060 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1(CCO)CCN(C)CC1 ZINC000563419447 319009466 /nfs/dbraw/zinc/00/94/66/319009466.db2.gz VTVMHDQGIHNDCL-QINSGFPZSA-N 1 0 333.432 2.435 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000566114269 319246794 /nfs/dbraw/zinc/24/67/94/319246794.db2.gz DXMOAROOKAZNMC-HIFRSBDPSA-N 1 0 336.388 2.026 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)o2)cc1 ZINC000566176701 319256420 /nfs/dbraw/zinc/25/64/20/319256420.db2.gz SSLZDDRNHXVOHB-OCCSQVGLSA-N 1 0 330.344 2.256 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570397931 319662644 /nfs/dbraw/zinc/66/26/44/319662644.db2.gz XIWVGUUFFVDMOH-OAHLLOKOSA-N 1 0 348.447 2.445 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000573339861 319925969 /nfs/dbraw/zinc/92/59/69/319925969.db2.gz ZSYZNOATAQQFCD-CHWSQXEVSA-N 1 0 346.387 2.389 20 5 EEBDRO CN(C(=O)C[NH2+][C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000576185254 320148410 /nfs/dbraw/zinc/14/84/10/320148410.db2.gz NEASTGCALDAQIT-MRXNPFEDSA-N 1 0 335.404 2.088 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000577721562 320271837 /nfs/dbraw/zinc/27/18/37/320271837.db2.gz RHDSDCYPEALELW-SNVBAGLBSA-N 1 0 345.186 2.249 20 5 EEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435857 320314088 /nfs/dbraw/zinc/31/40/88/320314088.db2.gz UZECUUGLRTZUQO-GXTWGEPZSA-N 1 0 326.393 2.128 20 5 EEBDRO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 ZINC000182807360 323388827 /nfs/dbraw/zinc/38/88/27/323388827.db2.gz RXDGEGBLZXBRBZ-VXGBXAGGSA-N 1 0 334.351 2.486 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000580066088 323986141 /nfs/dbraw/zinc/98/61/41/323986141.db2.gz LBRZVWVVZOJTQV-AAEUAGOBSA-N 1 0 337.401 2.184 20 5 EEBDRO Cc1c(C[NH2+]C2CCN(c3cnccn3)CC2)cccc1[N+](=O)[O-] ZINC000581285304 324220364 /nfs/dbraw/zinc/22/03/64/324220364.db2.gz IXQOOWRYXWAELO-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581908629 324339153 /nfs/dbraw/zinc/33/91/53/324339153.db2.gz PCTLFQXRXDQYRK-UHFFFAOYSA-N 1 0 349.387 2.272 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843291 449874427 /nfs/dbraw/zinc/87/44/27/449874427.db2.gz ZDGVFVKEAUQHOE-CYBMUJFWSA-N 1 0 345.403 2.451 20 5 EEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351518727 465198689 /nfs/dbraw/zinc/19/86/89/465198689.db2.gz SUFNBFCVLLKNTC-BBRMVZONSA-N 1 0 332.360 2.286 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000298281045 465353762 /nfs/dbraw/zinc/35/37/62/465353762.db2.gz XCMXWOBFXRPTOG-HOCLYGCPSA-N 1 0 349.387 2.185 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCC(C)CC1 ZINC000520866967 468276786 /nfs/dbraw/zinc/27/67/86/468276786.db2.gz LKTOAHMDYQCBIX-LBPRGKRZSA-N 1 0 349.387 2.174 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590663849 468298912 /nfs/dbraw/zinc/29/89/12/468298912.db2.gz VPHIWZLJDHRJBI-CQSZACIVSA-N 1 0 335.404 2.281 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000590665783 468299512 /nfs/dbraw/zinc/29/95/12/468299512.db2.gz ICWYPUNHFNIUJO-NSHDSACASA-N 1 0 339.367 2.345 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000074137187 462560443 /nfs/dbraw/zinc/56/04/43/462560443.db2.gz XEOVTBHUIPTYPK-AWEZNQCLSA-N 1 0 336.436 2.489 20 5 EEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000152882001 462591713 /nfs/dbraw/zinc/59/17/13/462591713.db2.gz PWZQXICUCSLUIA-UHFFFAOYSA-N 1 0 349.435 2.291 20 5 EEBDRO CCCNC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046054192 462642649 /nfs/dbraw/zinc/64/26/49/462642649.db2.gz BJAWHVYXSIHZPG-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153814379 462695436 /nfs/dbraw/zinc/69/54/36/462695436.db2.gz BRAIAWOTFYJOMU-QGZVFWFLSA-N 1 0 333.388 2.344 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054932 462771006 /nfs/dbraw/zinc/77/10/06/462771006.db2.gz VZKFNCAKAKZKIZ-WBMJQRKESA-N 1 0 338.404 2.432 20 5 EEBDRO C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008269394 462776276 /nfs/dbraw/zinc/77/62/76/462776276.db2.gz FWCKMAHZFQNHPP-STQMWFEESA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1cccc(OCC[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090511921 462794952 /nfs/dbraw/zinc/79/49/52/462794952.db2.gz HYMOYMHZYXBUEP-UHFFFAOYSA-N 1 0 331.372 2.076 20 5 EEBDRO Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010085465 462811816 /nfs/dbraw/zinc/81/18/16/462811816.db2.gz FGAZKYVYYZSLIZ-HNNXBMFYSA-N 1 0 340.383 2.181 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048267652 462883473 /nfs/dbraw/zinc/88/34/73/462883473.db2.gz QALOXYGYEGJDRA-BETUJISGSA-N 1 0 334.420 2.396 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155400570 462887347 /nfs/dbraw/zinc/88/73/47/462887347.db2.gz YXPPSQGQKMMAOD-CJNGLKHVSA-N 1 0 346.431 2.217 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000133219205 462909138 /nfs/dbraw/zinc/90/91/38/462909138.db2.gz VYJCFBHOVRSSHZ-ZDUSSCGKSA-N 1 0 332.404 2.019 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133514263 462940618 /nfs/dbraw/zinc/94/06/18/462940618.db2.gz LHYDLEBOCGWBNR-WDEREUQCSA-N 1 0 334.376 2.204 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000077525646 462999710 /nfs/dbraw/zinc/99/97/10/462999710.db2.gz AEHHZLFVIFIFQH-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067399423 463000273 /nfs/dbraw/zinc/00/02/73/463000273.db2.gz RQCOEGUNRMSZQN-QGZVFWFLSA-N 1 0 346.431 2.163 20 5 EEBDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000120929361 463055493 /nfs/dbraw/zinc/05/54/93/463055493.db2.gz LMWHUPOWKNZSCK-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000067915410 463067395 /nfs/dbraw/zinc/06/73/95/463067395.db2.gz AWFQBIFDYCFPPG-UHFFFAOYSA-N 1 0 349.431 2.479 20 5 EEBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077928873 463073469 /nfs/dbraw/zinc/07/34/69/463073469.db2.gz GICLSVMBSFJWSZ-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO COc1ccc(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026156538 463152657 /nfs/dbraw/zinc/15/26/57/463152657.db2.gz RTBLVMAEAPPRIL-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO CCN(CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000121551447 463155698 /nfs/dbraw/zinc/15/56/98/463155698.db2.gz IQFAXPWKPQSYMV-ZDUSSCGKSA-N 1 0 343.449 2.225 20 5 EEBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000026448032 463162573 /nfs/dbraw/zinc/16/25/73/463162573.db2.gz PDYGQILQUUPCKL-UHFFFAOYSA-N 1 0 347.415 2.375 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000069369180 463236251 /nfs/dbraw/zinc/23/62/51/463236251.db2.gz RTJASCYHZCHGOM-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000079795489 463250036 /nfs/dbraw/zinc/25/00/36/463250036.db2.gz DBINUWZVNWGECV-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CNc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055404155 463317040 /nfs/dbraw/zinc/31/70/40/463317040.db2.gz HCQSPRFNZRQLCO-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083782 463317674 /nfs/dbraw/zinc/31/76/74/463317674.db2.gz XBHDPGGKXIIDLE-NSHDSACASA-N 1 0 335.385 2.298 20 5 EEBDRO C[NH+](C)C1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000097113484 463328969 /nfs/dbraw/zinc/32/89/69/463328969.db2.gz HQJHJFREYFZURD-UHFFFAOYSA-N 1 0 343.181 2.135 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCc1ccccn1 ZINC000123417046 463339787 /nfs/dbraw/zinc/33/97/87/463339787.db2.gz BGLPJTJCDCFGFH-UHFFFAOYSA-N 1 0 328.372 2.411 20 5 EEBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000160725002 463365922 /nfs/dbraw/zinc/36/59/22/463365922.db2.gz QGSIFVKAECEEFR-UHFFFAOYSA-N 1 0 335.408 2.237 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056460008 463401870 /nfs/dbraw/zinc/40/18/70/463401870.db2.gz OWSBHWOPNFDONK-UHFFFAOYSA-N 1 0 341.371 2.022 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000161241389 463412718 /nfs/dbraw/zinc/41/27/18/463412718.db2.gz ALFFCLHJCHETEC-OAHLLOKOSA-N 1 0 349.434 2.365 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000161236486 463412728 /nfs/dbraw/zinc/41/27/28/463412728.db2.gz KAAUSSWDQWYEDJ-LBPRGKRZSA-N 1 0 349.840 2.242 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1C ZINC000161244906 463413135 /nfs/dbraw/zinc/41/31/35/463413135.db2.gz NUEJDZACOPXLEH-CQSZACIVSA-N 1 0 343.449 2.206 20 5 EEBDRO CCCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000104673828 463418774 /nfs/dbraw/zinc/41/87/74/463418774.db2.gz KBRSYVZAKDDMFT-UHFFFAOYSA-N 1 0 346.387 2.380 20 5 EEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000071847792 463439793 /nfs/dbraw/zinc/43/97/93/463439793.db2.gz FRSZVGZWOCPIMP-HNNXBMFYSA-N 1 0 335.404 2.086 20 5 EEBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042073366 463539151 /nfs/dbraw/zinc/53/91/51/463539151.db2.gz XDARWHFHCSCICE-UHFFFAOYSA-N 1 0 338.433 2.014 20 5 EEBDRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072719677 463539443 /nfs/dbraw/zinc/53/94/43/463539443.db2.gz JZIRVESMOHEWMJ-HNNXBMFYSA-N 1 0 346.431 2.341 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000568623764 468365009 /nfs/dbraw/zinc/36/50/09/468365009.db2.gz WPAQYTLLKNZDBW-CJNGLKHVSA-N 1 0 333.388 2.343 20 5 EEBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)CC1 ZINC000522334645 468369344 /nfs/dbraw/zinc/36/93/44/468369344.db2.gz JZUYMUBOSXQFGP-UHFFFAOYSA-N 1 0 334.420 2.270 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000170712670 463698726 /nfs/dbraw/zinc/69/87/26/463698726.db2.gz NJXJAIOHONSGNJ-HNNXBMFYSA-N 1 0 343.387 2.315 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000170774765 463704306 /nfs/dbraw/zinc/70/43/06/463704306.db2.gz WHDUKOQKRYRBBV-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO CC(C)(CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276663173 463709341 /nfs/dbraw/zinc/70/93/41/463709341.db2.gz CGFGVPNMBBGQKP-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286940450 463749492 /nfs/dbraw/zinc/74/94/92/463749492.db2.gz FCBSAKLOBSIGJR-XJKSGUPXSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCC[C@H](C)C1 ZINC000283432752 463883450 /nfs/dbraw/zinc/88/34/50/463883450.db2.gz JIQXJPGXBOIQMG-QWRGUYRKSA-N 1 0 338.383 2.166 20 5 EEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000194629724 463899502 /nfs/dbraw/zinc/89/95/02/463899502.db2.gz FBYMOLUUFYDPCB-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194641279 463902006 /nfs/dbraw/zinc/90/20/06/463902006.db2.gz GTHFBAAVPDDOJM-NXEZZACHSA-N 1 0 325.321 2.180 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269321551 463952121 /nfs/dbraw/zinc/95/21/21/463952121.db2.gz BMXHRRGVOAVPEG-UHFFFAOYSA-N 1 0 337.424 2.436 20 5 EEBDRO CC1(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000269657044 464049749 /nfs/dbraw/zinc/04/97/49/464049749.db2.gz OZHHFUKAYYZVNB-INIZCTEOSA-N 1 0 336.388 2.103 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186772150 464063488 /nfs/dbraw/zinc/06/34/88/464063488.db2.gz MWAQGOYADLQLFT-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]3CCO)n2)cc1 ZINC000279369957 464093025 /nfs/dbraw/zinc/09/30/25/464093025.db2.gz XADJQZFPDYUQAX-BXUZGUMPSA-N 1 0 332.360 2.286 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263772855 464184190 /nfs/dbraw/zinc/18/41/90/464184190.db2.gz WXUXPZDMNUSCOJ-UHFFFAOYSA-N 1 0 348.447 2.362 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987434 464218897 /nfs/dbraw/zinc/21/88/97/464218897.db2.gz AHCUQGVQPKVTEO-KGLIPLIRSA-N 1 0 336.388 2.476 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000236927402 464240476 /nfs/dbraw/zinc/24/04/76/464240476.db2.gz IESUAGIFUGVPIK-CYBMUJFWSA-N 1 0 334.420 2.442 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188482042 464292994 /nfs/dbraw/zinc/29/29/94/464292994.db2.gz UQUFYGMFICJTDL-ZDUSSCGKSA-N 1 0 334.420 2.275 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180533649 464330876 /nfs/dbraw/zinc/33/08/76/464330876.db2.gz SNBQKEGNRFUEPM-CHWSQXEVSA-N 1 0 349.435 2.060 20 5 EEBDRO COC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000188673624 464339686 /nfs/dbraw/zinc/33/96/86/464339686.db2.gz ACJIRSBLPBVEET-UHFFFAOYSA-N 1 0 344.371 2.038 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)C23CCCC3)c2c(c1)COCO2 ZINC000292788738 464343453 /nfs/dbraw/zinc/34/34/53/464343453.db2.gz QMDFQAWWUOJOKC-HNNXBMFYSA-N 1 0 334.372 2.341 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1C ZINC000237666866 464361001 /nfs/dbraw/zinc/36/10/01/464361001.db2.gz DUJQAINKVITPDJ-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237668486 464361316 /nfs/dbraw/zinc/36/13/16/464361316.db2.gz GWHAEYAPXCJKCQ-CQSZACIVSA-N 1 0 341.433 2.089 20 5 EEBDRO COc1cc(C[NH2+]CCc2nccnc2C)c([N+](=O)[O-])cc1OC ZINC000292856811 464364391 /nfs/dbraw/zinc/36/43/91/464364391.db2.gz AIQJTQLRAQOVLX-UHFFFAOYSA-N 1 0 332.360 2.043 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000271769940 464378834 /nfs/dbraw/zinc/37/88/34/464378834.db2.gz IKJGLMAFBCAMPX-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000238092958 464432083 /nfs/dbraw/zinc/43/20/83/464432083.db2.gz GJOOHHCZILWGQQ-HNNXBMFYSA-N 1 0 349.434 2.352 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000281514215 464487203 /nfs/dbraw/zinc/48/72/03/464487203.db2.gz VOPGXWVIJXQXDQ-HNNXBMFYSA-N 1 0 349.431 2.472 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272349172 464574016 /nfs/dbraw/zinc/57/40/16/464574016.db2.gz OGLCVGQCPCFXTA-HZMBPMFUSA-N 1 0 339.342 2.286 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175749167 464615620 /nfs/dbraw/zinc/61/56/20/464615620.db2.gz AUTJMQWGDBQNHC-INIZCTEOSA-N 1 0 335.404 2.004 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000272498695 464633732 /nfs/dbraw/zinc/63/37/32/464633732.db2.gz NRLAFAVUILHAJP-YVEFUNNKSA-N 1 0 342.399 2.171 20 5 EEBDRO C[C@@H]1CCCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527279 468415055 /nfs/dbraw/zinc/41/50/55/468415055.db2.gz ZRWFPZGSLRFBSY-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000190564121 464677898 /nfs/dbraw/zinc/67/78/98/464677898.db2.gz SXVVNUXSHPUEAD-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)c1 ZINC000182679348 464708438 /nfs/dbraw/zinc/70/84/38/464708438.db2.gz OJYMJGGIGCTQQF-RBUKOAKNSA-N 1 0 339.395 2.375 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176548463 464797928 /nfs/dbraw/zinc/79/79/28/464797928.db2.gz LIASSANRFBSNBB-YPMHNXCESA-N 1 0 343.387 2.170 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000295458676 464844101 /nfs/dbraw/zinc/84/41/01/464844101.db2.gz XEUKSEGJHCYKFT-CYBMUJFWSA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295477662 464852276 /nfs/dbraw/zinc/85/22/76/464852276.db2.gz YWNPNOIGZKFPAE-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286484238 464934953 /nfs/dbraw/zinc/93/49/53/464934953.db2.gz RAOTUTDLVMQFPS-JSGCOSHPSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240479 464988005 /nfs/dbraw/zinc/98/80/05/464988005.db2.gz USSXWZUKSJLVMX-ZUZCIYMTSA-N 1 0 337.807 2.390 20 5 EEBDRO CC(=O)c1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000286667821 464999245 /nfs/dbraw/zinc/99/92/45/464999245.db2.gz MKEODNCIIVYXPJ-LBPRGKRZSA-N 1 0 335.404 2.079 20 5 EEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000276624844 465005386 /nfs/dbraw/zinc/00/53/86/465005386.db2.gz NHHRYSNIQSVKNJ-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO CC[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000342639711 465335192 /nfs/dbraw/zinc/33/51/92/465335192.db2.gz OKHZRLIQFKNQGD-MRXNPFEDSA-N 1 0 345.399 2.030 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000339628861 465400716 /nfs/dbraw/zinc/40/07/16/465400716.db2.gz NTRXLVRSUNRBAW-OBJOEFQTSA-N 1 0 334.420 2.255 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000348312979 465544179 /nfs/dbraw/zinc/54/41/79/465544179.db2.gz FIZDZRXLCBXXOM-GFCCVEGCSA-N 1 0 331.376 2.316 20 5 EEBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(OCC[NH+](C)C)c1 ZINC000348459081 465617367 /nfs/dbraw/zinc/61/73/67/465617367.db2.gz KWSGDFMJFCIYAB-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000554835172 468445394 /nfs/dbraw/zinc/44/53/94/468445394.db2.gz PSMVXCAMIHDOOK-UHFFFAOYSA-N 1 0 335.408 2.237 20 5 EEBDRO COC[C@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[NH2+]1 ZINC000357276126 465907345 /nfs/dbraw/zinc/90/73/45/465907345.db2.gz SQNPNGXUSRRRFI-MRXNPFEDSA-N 1 0 349.412 2.308 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166680 465953757 /nfs/dbraw/zinc/95/37/57/465953757.db2.gz SAOANSKCSPKOHI-GRDNDAEWSA-N 1 0 331.416 2.326 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357384485 465993860 /nfs/dbraw/zinc/99/38/60/465993860.db2.gz FGJVGVGVRBKZGJ-HIFRSBDPSA-N 1 0 334.420 2.386 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000346292710 466067130 /nfs/dbraw/zinc/06/71/30/466067130.db2.gz JNQAZDRFGPUWKY-SFHVURJKSA-N 1 0 331.416 2.427 20 5 EEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000331407192 466069935 /nfs/dbraw/zinc/06/99/35/466069935.db2.gz IQCTVBGBMAOJLP-GJZGRUSLSA-N 1 0 347.415 2.229 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000591442929 468470226 /nfs/dbraw/zinc/47/02/26/468470226.db2.gz QTWMVVHEBZKAAN-LLVKDONJSA-N 1 0 333.417 2.425 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591458313 468472987 /nfs/dbraw/zinc/47/29/87/468472987.db2.gz IKGPUWDOQFJAFL-UHFFFAOYSA-N 1 0 334.420 2.250 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363018360 466178388 /nfs/dbraw/zinc/17/83/88/466178388.db2.gz STFCMXDQNDUVFO-RYUDHWBXSA-N 1 0 334.376 2.352 20 5 EEBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302780957 466183603 /nfs/dbraw/zinc/18/36/03/466183603.db2.gz RSQHXRIVCWMWNW-AWEZNQCLSA-N 1 0 348.403 2.453 20 5 EEBDRO CSC1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000346939846 466267120 /nfs/dbraw/zinc/26/71/20/466267120.db2.gz YBEIOPFJCJBHJZ-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO CCOc1cc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000340700683 466275929 /nfs/dbraw/zinc/27/59/29/466275929.db2.gz QAEWEMMTTVYDKW-GOSISDBHSA-N 1 0 348.447 2.115 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372305429 466291299 /nfs/dbraw/zinc/29/12/99/466291299.db2.gz QGSLHQACJZVDDR-CYBMUJFWSA-N 1 0 349.435 2.074 20 5 EEBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940732 466316481 /nfs/dbraw/zinc/31/64/81/466316481.db2.gz LWYOFLABSHINRH-DOMZBBRYSA-N 1 0 336.388 2.444 20 5 EEBDRO CNC(=O)CCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338711452 466327273 /nfs/dbraw/zinc/32/72/73/466327273.db2.gz YMAYFQUZAKMWQT-UHFFFAOYSA-N 1 0 347.371 2.479 20 5 EEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472742 466363682 /nfs/dbraw/zinc/36/36/82/466363682.db2.gz UREYHTSPRSQEDE-WEBJUUICSA-N 1 0 344.459 2.320 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000305449417 466408071 /nfs/dbraw/zinc/40/80/71/466408071.db2.gz QUTGTMGUOFSMDL-ZDUSSCGKSA-N 1 0 332.360 2.380 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000367697230 466499163 /nfs/dbraw/zinc/49/91/63/466499163.db2.gz CBELLQBEXQHYDO-LBPRGKRZSA-N 1 0 331.332 2.226 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354425842 466558889 /nfs/dbraw/zinc/55/88/89/466558889.db2.gz IOCWUXOTXVCACP-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000368302966 466595255 /nfs/dbraw/zinc/59/52/55/466595255.db2.gz ALODSAKWRWULAM-CYBMUJFWSA-N 1 0 341.209 2.284 20 5 EEBDRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000415412195 466669111 /nfs/dbraw/zinc/66/91/11/466669111.db2.gz BZOPWEYFXWKSJT-CYBMUJFWSA-N 1 0 348.403 2.122 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205240 466696593 /nfs/dbraw/zinc/69/65/93/466696593.db2.gz DZNFVZOGRLLSDW-CZUORRHYSA-N 1 0 329.404 2.007 20 5 EEBDRO COCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000411178843 466779046 /nfs/dbraw/zinc/77/90/46/466779046.db2.gz YZOQPKFHXZHZGA-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000423728716 466815573 /nfs/dbraw/zinc/81/55/73/466815573.db2.gz UAERHBAXSQZLJT-MNOVXSKESA-N 1 0 331.376 2.435 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417729490 466918740 /nfs/dbraw/zinc/91/87/40/466918740.db2.gz QHQRTRPWZNGMBY-SFHVURJKSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424017053 466953630 /nfs/dbraw/zinc/95/36/30/466953630.db2.gz ONIJIFWZCUKCDK-UONOGXRCSA-N 1 0 334.420 2.230 20 5 EEBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000412085679 467001317 /nfs/dbraw/zinc/00/13/17/467001317.db2.gz ZLEPOHVSPGVHKH-KRWDZBQOSA-N 1 0 349.387 2.199 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108085 467013400 /nfs/dbraw/zinc/01/34/00/467013400.db2.gz HFMFDQYLGHLMAI-XOKHGSTOSA-N 1 0 331.416 2.499 20 5 EEBDRO CC[C@]1(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000370844753 467024296 /nfs/dbraw/zinc/02/42/96/467024296.db2.gz DWAQRIKNKGJUHE-KRWDZBQOSA-N 1 0 334.420 2.211 20 5 EEBDRO CC(C)([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418095948 467043699 /nfs/dbraw/zinc/04/36/99/467043699.db2.gz WNGQKICDWWOTQX-UHFFFAOYSA-N 1 0 334.298 2.150 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000425501584 467100530 /nfs/dbraw/zinc/10/05/30/467100530.db2.gz FILHSIUOKWFDOI-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418380350 467102820 /nfs/dbraw/zinc/10/28/20/467102820.db2.gz HBJWALDOERNOFL-DZGCQCFKSA-N 1 0 334.420 2.339 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377755718 467134051 /nfs/dbraw/zinc/13/40/51/467134051.db2.gz KCVUQAMHFHQNKP-CYBMUJFWSA-N 1 0 333.388 2.065 20 5 EEBDRO C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000433231071 467310281 /nfs/dbraw/zinc/31/02/81/467310281.db2.gz HWLNARGCSWVEJO-LBPRGKRZSA-N 1 0 342.758 2.077 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000452089666 467319055 /nfs/dbraw/zinc/31/90/55/467319055.db2.gz PZPODAYEBWGLMU-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452098587 467322570 /nfs/dbraw/zinc/32/25/70/467322570.db2.gz UQOXKCLQADHRQF-ZDUSSCGKSA-N 1 0 341.433 2.006 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414928305 467451868 /nfs/dbraw/zinc/45/18/68/467451868.db2.gz APXYKFHKFYOUNR-RKDXNWHRSA-N 1 0 344.318 2.397 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN1CCCO)CCC2 ZINC000453250398 467469416 /nfs/dbraw/zinc/46/94/16/467469416.db2.gz ACUUZJPPOAULIE-AEFFLSMTSA-N 1 0 333.432 2.409 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC000453271036 467475280 /nfs/dbraw/zinc/47/52/80/467475280.db2.gz FYCWNPCUPQHXKG-RYUDHWBXSA-N 1 0 331.380 2.060 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000415113436 467492938 /nfs/dbraw/zinc/49/29/38/467492938.db2.gz UBKOISBOWRXERZ-IAGOWNOFSA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000449163560 467621686 /nfs/dbraw/zinc/62/16/86/467621686.db2.gz MPXHAUZLDXCPTQ-GRTSSRMGSA-N 1 0 340.445 2.471 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449399234 467639325 /nfs/dbraw/zinc/63/93/25/467639325.db2.gz YVFMATRACFNBMY-WBVHZDCISA-N 1 0 335.448 2.352 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000449517381 467654980 /nfs/dbraw/zinc/65/49/80/467654980.db2.gz JWJVMDLLGPOVPK-MFKMUULPSA-N 1 0 327.331 2.332 20 5 EEBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450319763 467826362 /nfs/dbraw/zinc/82/63/62/467826362.db2.gz RYFRAXRKBZEXRF-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000493498574 467925846 /nfs/dbraw/zinc/92/58/46/467925846.db2.gz QOJHQHALQSBTIH-OGZRUICASA-N 1 0 329.400 2.456 20 5 EEBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000493498573 467925980 /nfs/dbraw/zinc/92/59/80/467925980.db2.gz QOJHQHALQSBTIH-KJPDOMRESA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484496040 468008903 /nfs/dbraw/zinc/00/89/03/468008903.db2.gz GUFMDEQLGTVEAR-IHRRRGAJSA-N 1 0 335.404 2.453 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000531703758 468070705 /nfs/dbraw/zinc/07/07/05/468070705.db2.gz CBCRZKUUYIFJMT-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000517795917 468097813 /nfs/dbraw/zinc/09/78/13/468097813.db2.gz TZSLMLVLHJPDMX-NSHDSACASA-N 1 0 325.796 2.249 20 5 EEBDRO COc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000518795788 468126934 /nfs/dbraw/zinc/12/69/34/468126934.db2.gz DQRGRIPKNCVTPD-CQSZACIVSA-N 1 0 335.404 2.295 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489383058 468130566 /nfs/dbraw/zinc/13/05/66/468130566.db2.gz DQRMSXYIVDQHMZ-INIZCTEOSA-N 1 0 334.420 2.195 20 5 EEBDRO Cc1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000532918313 468152578 /nfs/dbraw/zinc/15/25/78/468152578.db2.gz VHDUKYHPBBNUSN-UHFFFAOYSA-N 1 0 341.371 2.080 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000590386602 468244074 /nfs/dbraw/zinc/24/40/74/468244074.db2.gz CEXRPMPWLVRIFE-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591757444 468515174 /nfs/dbraw/zinc/51/51/74/468515174.db2.gz CMXYQLQOGZVRGW-HNNXBMFYSA-N 1 0 345.399 2.297 20 5 EEBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000591769547 468518704 /nfs/dbraw/zinc/51/87/04/468518704.db2.gz RMEVXAUOKBWLDY-HNNXBMFYSA-N 1 0 345.399 2.297 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594420424 468579792 /nfs/dbraw/zinc/57/97/92/468579792.db2.gz TUYFNDSAPFPLDG-CABCVRRESA-N 1 0 332.404 2.140 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000592356617 468682658 /nfs/dbraw/zinc/68/26/58/468682658.db2.gz BAVGAZAELUACIU-GFCCVEGCSA-N 1 0 332.316 2.246 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000592487999 468709612 /nfs/dbraw/zinc/70/96/12/468709612.db2.gz FGQAUZIPWJQJAZ-GWCFXTLKSA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000592488726 468709808 /nfs/dbraw/zinc/70/98/08/468709808.db2.gz MMBWGFKQVOGBCS-SMDDNHRTSA-N 1 0 331.376 2.204 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554081 468729635 /nfs/dbraw/zinc/72/96/35/468729635.db2.gz BRRAKALUKHQLNQ-HUUCEWRRSA-N 1 0 346.431 2.245 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569074 468731653 /nfs/dbraw/zinc/73/16/53/468731653.db2.gz YNGMZPFUNYBBDA-GFCCVEGCSA-N 1 0 333.388 2.398 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC(OC)CC1 ZINC000595010706 468743130 /nfs/dbraw/zinc/74/31/30/468743130.db2.gz DJPLGTCHBLMWLU-CYBMUJFWSA-N 1 0 337.420 2.365 20 5 EEBDRO COCCC[NH+]1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601111020 468744408 /nfs/dbraw/zinc/74/44/08/468744408.db2.gz OSDTUESXMCZDQP-UHFFFAOYSA-N 1 0 344.415 2.478 20 5 EEBDRO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CC[NH+](C)CC1 ZINC000601116521 468747785 /nfs/dbraw/zinc/74/77/85/468747785.db2.gz MLJHDLHOHDAMKW-MRVPVSSYSA-N 1 0 335.330 2.489 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3COC[C@H]3O)o2)c(Cl)c1 ZINC000601140345 468758323 /nfs/dbraw/zinc/75/83/23/468758323.db2.gz XCFBBKZMOUAXAG-UONOGXRCSA-N 1 0 338.747 2.358 20 5 EEBDRO COc1cc(CN2C[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000601330520 468828911 /nfs/dbraw/zinc/82/89/11/468828911.db2.gz UMNDKIVGROGIFN-PSASIEDQSA-N 1 0 331.319 2.126 20 5 EEBDRO CNc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000560759891 468845538 /nfs/dbraw/zinc/84/55/38/468845538.db2.gz ICSSSTSPLSJDIO-GXTWGEPZSA-N 1 0 332.404 2.335 20 5 EEBDRO C[C@H](CO)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000593085073 468864855 /nfs/dbraw/zinc/86/48/55/468864855.db2.gz UWQPECVOEPINOI-CXAGYDPISA-N 1 0 347.415 2.041 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCCC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000593235470 468913130 /nfs/dbraw/zinc/91/31/30/468913130.db2.gz RXJKBWDBJSCXRF-UHFFFAOYSA-N 1 0 343.387 2.100 20 5 EEBDRO COC(=O)c1ccnc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598587835 468923953 /nfs/dbraw/zinc/92/39/53/468923953.db2.gz DPBPQYXFSCKKLQ-NWDGAFQWSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598650914 468946471 /nfs/dbraw/zinc/94/64/71/468946471.db2.gz QCLXDWLNKIMUHM-JSGCOSHPSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598675991 468955410 /nfs/dbraw/zinc/95/54/10/468955410.db2.gz CBIMVFPHHSHXFC-CZUORRHYSA-N 1 0 344.415 2.446 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784846 469009341 /nfs/dbraw/zinc/00/93/41/469009341.db2.gz BXXRTSBYHSTRGP-GDBMZVCRSA-N 1 0 335.404 2.038 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000602716794 469029850 /nfs/dbraw/zinc/02/98/50/469029850.db2.gz DLQLMODTLSAXGD-CQSZACIVSA-N 1 0 346.387 2.079 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000602758893 469055342 /nfs/dbraw/zinc/05/53/42/469055342.db2.gz IVKJCWMLVWGUHS-UHFFFAOYSA-N 1 0 329.404 2.230 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598956468 469065204 /nfs/dbraw/zinc/06/52/04/469065204.db2.gz VLRJUDJOOVHXGO-UHFFFAOYSA-N 1 0 344.209 2.429 20 5 EEBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800521 469083537 /nfs/dbraw/zinc/08/35/37/469083537.db2.gz XMZVJKLLPFNSJH-ZDUSSCGKSA-N 1 0 338.408 2.011 20 5 EEBDRO COc1cc(C(=O)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000595941875 469093143 /nfs/dbraw/zinc/09/31/43/469093143.db2.gz DGJXACDHJBTXSJ-UHFFFAOYSA-N 1 0 347.318 2.014 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000602816221 469093769 /nfs/dbraw/zinc/09/37/69/469093769.db2.gz CDLFNTKARMUQTG-UHFFFAOYSA-N 1 0 349.366 2.177 20 5 EEBDRO Cc1cc(N[C@H]2CCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601985814 469129567 /nfs/dbraw/zinc/12/95/67/469129567.db2.gz YWEWAMJKWSXZIE-AWEZNQCLSA-N 1 0 327.388 2.336 20 5 EEBDRO O=c1[nH]ccc(N2CC[NH+](CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000596086026 469148135 /nfs/dbraw/zinc/14/81/35/469148135.db2.gz SMSMWSRYPMKVQT-UHFFFAOYSA-N 1 0 334.401 2.122 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091488 469150459 /nfs/dbraw/zinc/15/04/59/469150459.db2.gz KXQIWBIWLQXNFY-OAHLLOKOSA-N 1 0 346.431 2.076 20 5 EEBDRO CC[NH+]1CCC(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253691 469210567 /nfs/dbraw/zinc/21/05/67/469210567.db2.gz DYGORVAOXMFWGX-UHFFFAOYSA-N 1 0 335.404 2.282 20 5 EEBDRO Cc1cc(N2CC(C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596246522 469219258 /nfs/dbraw/zinc/21/92/58/469219258.db2.gz GONHTTPQJGHMSE-UHFFFAOYSA-N 1 0 327.388 2.358 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285409 469220046 /nfs/dbraw/zinc/22/00/46/469220046.db2.gz VSHDELSHCMANOQ-CABCVRRESA-N 1 0 347.415 2.425 20 5 EEBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611374163 469237144 /nfs/dbraw/zinc/23/71/44/469237144.db2.gz MYTSTIVMEUVRSF-HNNXBMFYSA-N 1 0 338.477 2.257 20 5 EEBDRO Cc1nn(C)c(NCC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596441144 469266883 /nfs/dbraw/zinc/26/68/83/469266883.db2.gz OXALQPINQPBLPX-UHFFFAOYSA-N 1 0 344.419 2.356 20 5 EEBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611554188 469277479 /nfs/dbraw/zinc/27/74/79/469277479.db2.gz HRDONQMJVLTIAA-GHMZBOCLSA-N 1 0 333.310 2.419 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712261 469307444 /nfs/dbraw/zinc/30/74/44/469307444.db2.gz ZCLGUMVPSQEJMH-WBMJQRKESA-N 1 0 327.388 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC(F)(F)F)CC2)cn1 ZINC000602506685 469342695 /nfs/dbraw/zinc/34/26/95/469342695.db2.gz KVFPOFHEUCCARB-UHFFFAOYSA-N 1 0 348.325 2.127 20 5 EEBDRO C[C@H]1CCCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602514324 469345460 /nfs/dbraw/zinc/34/54/60/469345460.db2.gz JICFFOQFWWONFC-HNNXBMFYSA-N 1 0 347.463 2.280 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3n[nH]cc3C2)n1 ZINC000616008170 469352929 /nfs/dbraw/zinc/35/29/29/469352929.db2.gz VZBBOHVWYNDVCF-NWANDNLSSA-N 1 0 330.392 2.145 20 5 EEBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602541261 469354441 /nfs/dbraw/zinc/35/44/41/469354441.db2.gz PHEPCXQRSHEFBM-UHFFFAOYSA-N 1 0 340.323 2.138 20 5 EEBDRO CCN(CC)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602548252 469356259 /nfs/dbraw/zinc/35/62/59/469356259.db2.gz CWTKWJCXOQXSHG-CQSZACIVSA-N 1 0 335.452 2.279 20 5 EEBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602546745 469356381 /nfs/dbraw/zinc/35/63/81/469356381.db2.gz KRPHAHQQIRIPCX-ZDUSSCGKSA-N 1 0 347.337 2.424 20 5 EEBDRO CO[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602605890 469382825 /nfs/dbraw/zinc/38/28/25/469382825.db2.gz URSZJWOVVIONCJ-DOMZBBRYSA-N 1 0 328.796 2.432 20 5 EEBDRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000616178575 469391767 /nfs/dbraw/zinc/39/17/67/469391767.db2.gz XFVPCZZAHOKRBO-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000603848403 469436197 /nfs/dbraw/zinc/43/61/97/469436197.db2.gz SADVLJOQYZKQOD-MRXNPFEDSA-N 1 0 349.431 2.160 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CNc2ccnn2C1)C1CC1 ZINC000619264445 469562630 /nfs/dbraw/zinc/56/26/30/469562630.db2.gz FKDZEVCWNOVBCC-CYBMUJFWSA-N 1 0 327.388 2.498 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+](C)Cc1ccccc1 ZINC000609506196 469934774 /nfs/dbraw/zinc/93/47/74/469934774.db2.gz LRYIVMPJIKGOCL-ZDUSSCGKSA-N 1 0 330.388 2.184 20 5 EEBDRO Cc1c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184175291 533773992 /nfs/dbraw/zinc/77/39/92/533773992.db2.gz FJPFJBIGICRWHT-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000159311348 534472489 /nfs/dbraw/zinc/47/24/89/534472489.db2.gz OTDKOZIMHQEZHO-UHFFFAOYSA-N 1 0 332.404 2.063 20 5 EEBDRO CC(C)OC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181826563 527805003 /nfs/dbraw/zinc/80/50/03/527805003.db2.gz BLMLWFSONABYHA-HNNXBMFYSA-N 1 0 346.387 2.464 20 5 EEBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]CC1 ZINC000183335632 527975686 /nfs/dbraw/zinc/97/56/86/527975686.db2.gz LXYQSIKTLLKRGT-UHFFFAOYSA-N 1 0 346.431 2.315 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000153555470 528607165 /nfs/dbraw/zinc/60/71/65/528607165.db2.gz OIVCLGODAXPDDC-NSHDSACASA-N 1 0 330.406 2.079 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000162791004 528951476 /nfs/dbraw/zinc/95/14/76/528951476.db2.gz HITXPWCHPPDBMY-LLVKDONJSA-N 1 0 339.392 2.249 20 5 EEBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165144273 529201157 /nfs/dbraw/zinc/20/11/57/529201157.db2.gz HNTXAQWFVADXDW-JKSUJKDBSA-N 1 0 335.404 2.273 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000773063071 577313388 /nfs/dbraw/zinc/31/33/88/577313388.db2.gz AGLKZNSJOFKATF-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009579 577470960 /nfs/dbraw/zinc/47/09/60/577470960.db2.gz JAJWCPZJVHAGMB-CABZTGNLSA-N 1 0 349.309 2.479 20 5 EEBDRO COC(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000777221679 577475244 /nfs/dbraw/zinc/47/52/44/577475244.db2.gz LEHPCWALSLBODJ-UHFFFAOYSA-N 1 0 333.388 2.106 20 5 EEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742309576 577870783 /nfs/dbraw/zinc/87/07/83/577870783.db2.gz POIUPWOWXYRQFU-GXSJLCMTSA-N 1 0 347.824 2.009 20 5 EEBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000745438599 577913883 /nfs/dbraw/zinc/91/38/83/577913883.db2.gz XSSORQBLPXCOCJ-ZDUSSCGKSA-N 1 0 332.360 2.320 20 5 EEBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000746520078 577929382 /nfs/dbraw/zinc/92/93/82/577929382.db2.gz NMUIZGMMTGIVLN-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000749662764 577979530 /nfs/dbraw/zinc/97/95/30/577979530.db2.gz CPPJNMAEWRUIQI-DYVFJYSZSA-N 1 0 328.368 2.469 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958489 577984757 /nfs/dbraw/zinc/98/47/57/577984757.db2.gz DPQYSCDLCXPETO-CQSZACIVSA-N 1 0 346.435 2.269 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021949305 676559646 /nfs/dbraw/zinc/55/96/46/676559646.db2.gz QNVBTPQNZUQHPV-TXEJJXNPSA-N 1 0 334.401 2.343 20 5 EEBDRO CCn1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000891469449 676668164 /nfs/dbraw/zinc/66/81/64/676668164.db2.gz HRPTUNFFMVGJLJ-UHFFFAOYSA-N 1 0 329.404 2.442 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000891848825 676864398 /nfs/dbraw/zinc/86/43/98/676864398.db2.gz LUXXXKKBTFUIBW-CQSZACIVSA-N 1 0 334.420 2.481 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC(C)(C)C)c2)CC1 ZINC000934042286 677767296 /nfs/dbraw/zinc/76/72/96/677767296.db2.gz CYULLPAWOWLFGD-UHFFFAOYSA-N 1 0 335.408 2.267 20 5 EEBDRO CCc1ncoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022683512 678223493 /nfs/dbraw/zinc/22/34/93/678223493.db2.gz BUJQOGDFKSSPBM-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000894131176 681623998 /nfs/dbraw/zinc/62/39/98/681623998.db2.gz OWNVZWDRXUEZIG-CYBMUJFWSA-N 1 0 344.415 2.366 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000983007360 681647039 /nfs/dbraw/zinc/64/70/39/681647039.db2.gz WMNNOUCAXBOCDC-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)cc1[N+](=O)[O-] ZINC000892715042 682826623 /nfs/dbraw/zinc/82/66/23/682826623.db2.gz VDUMKSTUHKTZRR-CHWSQXEVSA-N 1 0 340.351 2.327 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000894674053 683023567 /nfs/dbraw/zinc/02/35/67/683023567.db2.gz SHUPOOJPEZINSC-AWEZNQCLSA-N 1 0 327.812 2.185 20 5 EEBDRO CC(C)c1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983656282 683080567 /nfs/dbraw/zinc/08/05/67/683080567.db2.gz AHXLRWLREOELPC-MOIQIXESSA-N 1 0 345.443 2.460 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025729124 683251512 /nfs/dbraw/zinc/25/15/12/683251512.db2.gz GMCNQQTXVLVBGM-FVQHAEBGSA-N 1 0 340.383 2.092 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)[C@H]1C[C@H]2C[C@H]2C1 ZINC001025962981 683691266 /nfs/dbraw/zinc/69/12/66/683691266.db2.gz WPERNTVFWXGYOR-HIIFRAMHSA-N 1 0 341.411 2.187 20 5 EEBDRO Cc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1[N+](=O)[O-] ZINC000450286353 1177286130 /nfs/dbraw/zinc/28/61/30/1177286130.db2.gz OYSNPUNTWKLGCP-UHFFFAOYSA-N 1 0 329.360 2.269 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CCCC[NH+](C)C ZINC001105438264 1187117765 /nfs/dbraw/zinc/11/77/65/1187117765.db2.gz MZGMQJDWVPTZOF-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001105519409 1188136562 /nfs/dbraw/zinc/13/65/62/1188136562.db2.gz RWWDYGZOQLPNJO-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC001134270054 1199437936 /nfs/dbraw/zinc/43/79/36/1199437936.db2.gz VKQWHRIBEZEJAW-UHFFFAOYSA-N 1 0 339.395 2.216 20 5 EEBDRO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000814649069 1199643160 /nfs/dbraw/zinc/64/31/60/1199643160.db2.gz IUSGUHYCRGLOSS-ROUUACIJSA-N 1 0 330.384 2.164 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000810843452 1199775654 /nfs/dbraw/zinc/77/56/54/1199775654.db2.gz FWGRLBDONSDWES-AAEUAGOBSA-N 1 0 348.355 2.150 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000878188752 1200311315 /nfs/dbraw/zinc/31/13/15/1200311315.db2.gz NYQCORBYNVTOHB-UONOGXRCSA-N 1 0 334.376 2.281 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCO[C@@H]1CCOC1 ZINC000866281618 1201482575 /nfs/dbraw/zinc/48/25/75/1201482575.db2.gz BDEUKPUBFKEUBP-IUODEOHRSA-N 1 0 326.368 2.450 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866707455 1201585918 /nfs/dbraw/zinc/58/59/18/1201585918.db2.gz ADOKWJVXDHPHIL-HIFRSBDPSA-N 1 0 335.379 2.219 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867950743 1201713130 /nfs/dbraw/zinc/71/31/30/1201713130.db2.gz FAPJVCQLAUBKNM-NSHDSACASA-N 1 0 337.323 2.138 20 5 EEBDRO COc1ccc2c(c1)CN(C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C2 ZINC000867983058 1201720153 /nfs/dbraw/zinc/72/01/53/1201720153.db2.gz IVMFGPLOTHPPBK-SFHVURJKSA-N 1 0 341.367 2.320 20 5 EEBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000882916332 1201974435 /nfs/dbraw/zinc/97/44/35/1201974435.db2.gz MYXJKDHKHKGTOW-HNNXBMFYSA-N 1 0 332.404 2.492 20 5 EEBDRO COc1ccc(Cn2cc(CN3CCC(C)CC3)nn2)cc1[N+](=O)[O-] ZINC000883994578 1202193140 /nfs/dbraw/zinc/19/31/40/1202193140.db2.gz FJORLBSCCWBQQA-UHFFFAOYSA-N 1 0 345.403 2.475 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929302479 1206463408 /nfs/dbraw/zinc/46/34/08/1206463408.db2.gz SNSVTHKBRIOYFV-QGZVFWFLSA-N 1 0 346.431 2.116 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930523179 1206564514 /nfs/dbraw/zinc/56/45/14/1206564514.db2.gz MOYHDGOGBWQSHE-CQSZACIVSA-N 1 0 327.425 2.232 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(F)c1 ZINC000778105863 1207642447 /nfs/dbraw/zinc/64/24/47/1207642447.db2.gz JNYNGMOPGUBPTD-RHSMWYFYSA-N 1 0 334.347 2.308 20 5 EEBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934233334 1207927682 /nfs/dbraw/zinc/92/76/82/1207927682.db2.gz JUGVYBJZRGWSQQ-CXAGYDPISA-N 1 0 340.383 2.316 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778273070 1208034294 /nfs/dbraw/zinc/03/42/94/1208034294.db2.gz NIFBGAAIPZXMQZ-UHFFFAOYSA-N 1 0 349.416 2.013 20 5 EEBDRO CN(CCOCC1CC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000088507484 1212343241 /nfs/dbraw/zinc/34/32/41/1212343241.db2.gz PNLOMWRQSUHBPK-UHFFFAOYSA-N 1 0 331.376 2.169 20 5 EEBDRO CCN(CCCNC(=O)C[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1 ZINC001095884676 1213700333 /nfs/dbraw/zinc/70/03/33/1213700333.db2.gz MVZDITXUBXNYMT-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795782893 1215064308 /nfs/dbraw/zinc/06/43/08/1215064308.db2.gz ZHEUXHTXQHZFQX-UHFFFAOYSA-N 1 0 335.408 2.092 20 5 EEBDRO C[NH+](C)C1(C(=O)N[C@H]2C[C@H](CNc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001114796351 1215331404 /nfs/dbraw/zinc/33/14/04/1215331404.db2.gz GHJVYWNFGBZFTL-HDJSIYSDSA-N 1 0 346.431 2.386 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CC3(CCC3)C1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963791876 1218041465 /nfs/dbraw/zinc/04/14/65/1218041465.db2.gz SSXXPHGKDJAEEB-UFSDWWJCSA-N 1 0 347.459 2.249 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC001019991083 1229432260 /nfs/dbraw/zinc/43/22/60/1229432260.db2.gz IZFMDVACFPFPCN-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020130823 1229500579 /nfs/dbraw/zinc/50/05/79/1229500579.db2.gz LGKMTAUAKDZKHI-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119619442 1229563567 /nfs/dbraw/zinc/56/35/67/1229563567.db2.gz LGIRGZVMYIAPBG-UHFFFAOYSA-N 1 0 347.462 2.198 20 5 EEBDRO CC1(Nc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001067263689 1229952231 /nfs/dbraw/zinc/95/22/31/1229952231.db2.gz NXSJZINLQBTUTC-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CCN(CCCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095981325 1232962210 /nfs/dbraw/zinc/96/22/10/1232962210.db2.gz QSVJPRRLEUITIG-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO Cc1ccc(CC[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001045437198 1233745059 /nfs/dbraw/zinc/74/50/59/1233745059.db2.gz IHGJEDMBYGAESB-IAGOWNOFSA-N 1 0 345.443 2.173 20 5 EEBDRO O=C(/C=C\C1CC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048746669 1238503221 /nfs/dbraw/zinc/50/32/21/1238503221.db2.gz XEGZSWFWXLKALM-HGGBWVLCSA-N 1 0 341.411 2.451 20 5 EEBDRO O=C(NCC1=CC[N@H+](CCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675224 1240710192 /nfs/dbraw/zinc/71/01/92/1240710192.db2.gz UIIYMMOEBCKFSE-QZTJIDSGSA-N 1 0 343.427 2.033 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001097230983 1243857499 /nfs/dbraw/zinc/85/74/99/1243857499.db2.gz IAQJFFKHFQGUTP-BETUJISGSA-N 1 0 349.435 2.088 20 5 EEBDRO Cc1ccc(C)c(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1 ZINC001072725864 1255329970 /nfs/dbraw/zinc/32/99/70/1255329970.db2.gz UNONKANRYBMZNG-IAGOWNOFSA-N 1 0 343.427 2.003 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000723696516 1277809965 /nfs/dbraw/zinc/80/99/65/1277809965.db2.gz WNMLIAXDOOROBO-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO O=C(COCC1CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199471524 1285669785 /nfs/dbraw/zinc/66/97/85/1285669785.db2.gz ZSPQINVUWLTXDQ-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO C[NH+]1CCN(c2ncccc2Nc2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001199801784 1285837229 /nfs/dbraw/zinc/83/72/29/1285837229.db2.gz JNVUZAVSYRNXEL-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000852206102 1292039436 /nfs/dbraw/zinc/03/94/36/1292039436.db2.gz YKPINNKWEXEFND-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)CC(C)(C)C ZINC001101972313 1300093439 /nfs/dbraw/zinc/09/34/39/1300093439.db2.gz VVYHSDBNXXEAOK-UHFFFAOYSA-N 1 0 336.436 2.443 20 5 EEBDRO COC(=O)c1cnc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226220906 1301307167 /nfs/dbraw/zinc/30/71/67/1301307167.db2.gz BTQVDTZVCHJWKV-VIFPVBQESA-N 1 0 332.218 2.104 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3F)C[C@H]1[N@@H+]2C ZINC001226271415 1301331073 /nfs/dbraw/zinc/33/10/73/1301331073.db2.gz ZFTUAAFSVPMGJS-CAVOSLQRSA-N 1 0 338.335 2.280 20 5 EEBDRO COCC[NH+]1CCC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227246817 1301746844 /nfs/dbraw/zinc/74/68/44/1301746844.db2.gz MAYOBUHNVMTDFR-UHFFFAOYSA-N 1 0 349.309 2.498 20 5 EEBDRO CN1[C@@H]2C[C@H](Oc3nc4ccc([N+](=O)[O-])cc4s3)[C@H]1CC(=O)C2 ZINC001228208788 1302155983 /nfs/dbraw/zinc/15/59/83/1302155983.db2.gz FVVGGOGVCZXZAX-BIMULSAOSA-N 1 0 333.369 2.388 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC001228661925 1302366977 /nfs/dbraw/zinc/36/69/77/1302366977.db2.gz RAIOVLSOMQFRLO-ZSBIGDGJSA-N 1 0 340.401 2.002 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001229113813 1302624205 /nfs/dbraw/zinc/62/42/05/1302624205.db2.gz FMJUNRQZMZVJFG-SKFKFUCRSA-N 1 0 346.383 2.480 20 5 EEBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001229452023 1302787286 /nfs/dbraw/zinc/78/72/86/1302787286.db2.gz MJOUZJUTPDZMQZ-OAHLLOKOSA-N 1 0 329.356 2.272 20 5 EEBDRO C[NH+]1CCC2(CC[C@H](COc3cc4n[nH]cc4cc3[N+](=O)[O-])O2)CC1 ZINC001230593827 1303300816 /nfs/dbraw/zinc/30/08/16/1303300816.db2.gz BRTDIBKQIRSVNN-CYBMUJFWSA-N 1 0 346.387 2.493 20 5 EEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000784147823 1304424933 /nfs/dbraw/zinc/42/49/33/1304424933.db2.gz PAGGAHORCSMWTP-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC001115888471 1305844113 /nfs/dbraw/zinc/84/41/13/1305844113.db2.gz UCXUILBKGDXHJC-UHFFFAOYSA-N 1 0 343.387 2.485 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001116027338 1305849847 /nfs/dbraw/zinc/84/98/47/1305849847.db2.gz XGBBAMHLSXGVCD-KBPBESRZSA-N 1 0 335.404 2.353 20 5 EEBDRO O=C(CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1)Nc1cccnc1 ZINC001120558263 1309610036 /nfs/dbraw/zinc/61/00/36/1309610036.db2.gz CQKPWOWDKXQALZ-UHFFFAOYSA-N 1 0 329.360 2.020 20 5 EEBDRO COc1ccc(C[C@@H](C)N2C[C@H]([NH3+])CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001246583501 1310348872 /nfs/dbraw/zinc/34/88/72/1310348872.db2.gz HBAAQEQBFGGOMK-ZYHUDNBSSA-N 1 0 329.347 2.203 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC001123358750 1310537551 /nfs/dbraw/zinc/53/75/51/1310537551.db2.gz AXJJYEQYCVALPZ-ZIAGYGMSSA-N 1 0 338.433 2.413 20 5 EEBDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840877499 1315425960 /nfs/dbraw/zinc/42/59/60/1315425960.db2.gz XYAUHGHESLPRJF-JTQLQIEISA-N 1 0 329.422 2.041 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161047 1315492954 /nfs/dbraw/zinc/49/29/54/1315492954.db2.gz HYCRXDVZOCXCNR-MRVPVSSYSA-N 1 0 343.181 2.170 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@H]4CCC[NH2+]C4)no3)n2)cc1 ZINC000842670270 1315750682 /nfs/dbraw/zinc/75/06/82/1315750682.db2.gz SLVOGFLMPUGKEC-NSHDSACASA-N 1 0 340.343 2.298 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000843093983 1315840571 /nfs/dbraw/zinc/84/05/71/1315840571.db2.gz SEYJMEITNSTFLQ-ZWKOTPCHSA-N 1 0 330.384 2.212 20 5 EEBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(C3CC[NH2+]CC3)no2)n1 ZINC000843140087 1315853190 /nfs/dbraw/zinc/85/31/90/1315853190.db2.gz WAYMZHZKKSXADY-UHFFFAOYSA-N 1 0 340.343 2.298 20 5 EEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000843154892 1315856933 /nfs/dbraw/zinc/85/69/33/1315856933.db2.gz RQZDWAWUKULWIH-ZDUSSCGKSA-N 1 0 328.332 2.486 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000843470868 1315919979 /nfs/dbraw/zinc/91/99/79/1315919979.db2.gz FWWVEIFTHCXJKU-XJKSGUPXSA-N 1 0 346.431 2.394 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000843500851 1315924476 /nfs/dbraw/zinc/92/44/76/1315924476.db2.gz AWGGAELPCRBFFJ-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc2c1 ZINC001155593095 1317664563 /nfs/dbraw/zinc/66/45/63/1317664563.db2.gz XOYCOAUUPOZOFW-YVEFUNNKSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC001155616247 1317675692 /nfs/dbraw/zinc/67/56/92/1317675692.db2.gz COSNCAICEMERSK-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001156125137 1317888241 /nfs/dbraw/zinc/88/82/41/1317888241.db2.gz IQOODDHYKZPLDG-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO Cc1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254467131 1318081474 /nfs/dbraw/zinc/08/14/74/1318081474.db2.gz ZMFJKDIGBJUYDZ-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254482986 1318084777 /nfs/dbraw/zinc/08/47/77/1318084777.db2.gz NYCIIZHZSYXZSQ-SFHVURJKSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC001254558485 1318120039 /nfs/dbraw/zinc/12/00/39/1318120039.db2.gz BPHXECWEOHEVDL-HNNXBMFYSA-N 1 0 333.432 2.322 20 5 EEBDRO CCOC(=O)c1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577212 1318127496 /nfs/dbraw/zinc/12/74/96/1318127496.db2.gz CZFKLHZNAGQNQQ-HNNXBMFYSA-N 1 0 341.367 2.424 20 5 EEBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCCC1 ZINC001254576523 1318128127 /nfs/dbraw/zinc/12/81/27/1318128127.db2.gz WWYJGTBOGRNZLC-MRXNPFEDSA-N 1 0 331.416 2.491 20 5 EEBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586473 1318135152 /nfs/dbraw/zinc/13/51/52/1318135152.db2.gz JXPQASMRTCJHOL-ZDUSSCGKSA-N 1 0 329.356 2.269 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCC1 ZINC001254600976 1318140411 /nfs/dbraw/zinc/14/04/11/1318140411.db2.gz TVFLFQFGXYDMLT-GOSISDBHSA-N 1 0 343.427 2.443 20 5 EEBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606115 1318141802 /nfs/dbraw/zinc/14/18/02/1318141802.db2.gz DZJCDSOXCZJPFC-IAGOWNOFSA-N 1 0 340.383 2.314 20 5 EEBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001254606094 1318142559 /nfs/dbraw/zinc/14/25/59/1318142559.db2.gz DNYSXGACPPKHGL-XYPHTWIQSA-N 1 0 329.400 2.005 20 5 EEBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001255573504 1318466579 /nfs/dbraw/zinc/46/65/79/1318466579.db2.gz JFRTYDSVLBFUGY-UHFFFAOYSA-N 1 0 338.327 2.318 20 5 EEBDRO CCN1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C1 ZINC001256089468 1318644194 /nfs/dbraw/zinc/64/41/94/1318644194.db2.gz VKZBNEKRNIWDEL-OAHLLOKOSA-N 1 0 348.447 2.256 20 5 EEBDRO COc1cc(N2CCC(n3cc(CC[NH3+])cn3)CC2)ccc1[N+](=O)[O-] ZINC001256087720 1318645455 /nfs/dbraw/zinc/64/54/55/1318645455.db2.gz NBZIRPBHBIFLPP-UHFFFAOYSA-N 1 0 345.403 2.143 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC(=O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093029 1318645784 /nfs/dbraw/zinc/64/57/84/1318645784.db2.gz DFVXTRNAFYISED-ZDUSSCGKSA-N 1 0 347.415 2.483 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157689068 1318798214 /nfs/dbraw/zinc/79/82/14/1318798214.db2.gz GDGLTHFJXFZAAJ-QWRGUYRKSA-N 1 0 325.800 2.125 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767427 1318847361 /nfs/dbraw/zinc/84/73/61/1318847361.db2.gz MLIAROFTCHORQX-CHWSQXEVSA-N 1 0 346.214 2.255 20 5 EEBDRO COc1cc2ncnc(N(C(C)C)[C@H]3CC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001158025702 1318974963 /nfs/dbraw/zinc/97/49/63/1318974963.db2.gz OVIRRXDIWXIPJF-NSHDSACASA-N 1 0 331.376 2.123 20 5 EEBDRO Cc1ccnc(NCc2ccccc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160108423 1320071448 /nfs/dbraw/zinc/07/14/48/1320071448.db2.gz NPELMJGBAOERTP-UHFFFAOYSA-N 1 0 327.388 2.320 20 5 EEBDRO CCOc1nc(NCC2(CCOC)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161502474 1320519983 /nfs/dbraw/zinc/51/99/83/1320519983.db2.gz ADCNWZOJCDLOOB-UHFFFAOYSA-N 1 0 338.408 2.207 20 5 EEBDRO CC(=O)Nc1cc(NCC[NH+](C)C)c([N+](=O)[O-])cc1Br ZINC001161672732 1320582542 /nfs/dbraw/zinc/58/25/42/1320582542.db2.gz DRCRDBBJEGEWOC-UHFFFAOYSA-N 1 0 345.197 2.289 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001162465019 1320864322 /nfs/dbraw/zinc/86/43/22/1320864322.db2.gz BEOUKFIESGCCLO-JSGCOSHPSA-N 1 0 335.404 2.358 20 5 EEBDRO NC1=CC=C(C2CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163131105 1321046507 /nfs/dbraw/zinc/04/65/07/1321046507.db2.gz OIQOIZJYMBXICO-UHFFFAOYSA-N 1 0 335.795 2.189 20 5 EEBDRO O=[N+]([O-])c1cccc2cnc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279402 1321086348 /nfs/dbraw/zinc/08/63/48/1321086348.db2.gz MHIDIUUWLHMTJH-PXAZEXFGSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1cccc2cnc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279405 1321086412 /nfs/dbraw/zinc/08/64/12/1321086412.db2.gz MHIDIUUWLHMTJH-SJKOYZFVSA-N 1 0 343.387 2.109 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)s1 ZINC001163280947 1321087004 /nfs/dbraw/zinc/08/70/04/1321087004.db2.gz VHRAIWXFXTXZNK-MEBBXXQBSA-N 1 0 349.416 2.170 20 5 EEBDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001163686787 1321192830 /nfs/dbraw/zinc/19/28/30/1321192830.db2.gz DEHAUVWMFGQECQ-UHFFFAOYSA-N 1 0 345.403 2.180 20 5 EEBDRO C[NH+](C)Cc1cccc(CNc2cc([N+](=O)[O-])c3nncn3c2)c1 ZINC001163999502 1321267274 /nfs/dbraw/zinc/26/72/74/1321267274.db2.gz ZQZUMMMYWFRLBF-UHFFFAOYSA-N 1 0 326.360 2.311 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@](C)(C[NH3+])CC1 ZINC001164247276 1321329677 /nfs/dbraw/zinc/32/96/77/1321329677.db2.gz IIFGHRCTFFZKRE-MRXNPFEDSA-N 1 0 336.392 2.122 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165091023 1321452982 /nfs/dbraw/zinc/45/29/82/1321452982.db2.gz YJBZDEDMZBHMDS-WMLDXEAASA-N 1 0 339.399 2.283 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165270397 1321488138 /nfs/dbraw/zinc/48/81/38/1321488138.db2.gz MLXMFAMFAXDAQG-LBPRGKRZSA-N 1 0 345.325 2.083 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1Cl ZINC001165430446 1321524966 /nfs/dbraw/zinc/52/49/66/1321524966.db2.gz NGISFGHEDDUMHO-ZJUUUORDSA-N 1 0 328.775 2.465 20 5 EEBDRO N=c1sc2c(n1-c1nccc3cc([N+](=O)[O-])ccc31)CC[NH2+]C2 ZINC001166862532 1321803888 /nfs/dbraw/zinc/80/38/88/1321803888.db2.gz YMDDOQSDSFZGNF-UHFFFAOYSA-N 1 0 327.369 2.120 20 5 EEBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203571680 1321914987 /nfs/dbraw/zinc/91/49/87/1321914987.db2.gz NHEIFTWYCWOMTI-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001261775325 1322175802 /nfs/dbraw/zinc/17/58/02/1322175802.db2.gz DTDUXYGZZHHWRM-UHFFFAOYSA-N 1 0 346.431 2.488 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC(C)C ZINC001306696557 1331485169 /nfs/dbraw/zinc/48/51/69/1331485169.db2.gz QKAOQWBCSKMGLU-LBPRGKRZSA-N 1 0 338.408 2.182 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC001307156811 1331511729 /nfs/dbraw/zinc/51/17/29/1331511729.db2.gz OOSWDGQPTKKFPZ-UHFFFAOYSA-N 1 0 336.355 2.260 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609083954 1351835406 /nfs/dbraw/zinc/83/54/06/1351835406.db2.gz XJQOJEJJCJDXBW-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001609095736 1351840685 /nfs/dbraw/zinc/84/06/85/1351840685.db2.gz MCCKDZFVAJUBHW-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC001323204877 1333410923 /nfs/dbraw/zinc/41/09/23/1333410923.db2.gz GIMLHVWQGMPZSY-UHFFFAOYSA-N 1 0 348.403 2.472 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC001609113742 1351849720 /nfs/dbraw/zinc/84/97/20/1351849720.db2.gz FRGMDWPRKDZKAD-GFCCVEGCSA-N 1 0 345.407 2.309 20 5 EEBDRO CCCN(CC[NH+](CC)CC)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609213292 1351895077 /nfs/dbraw/zinc/89/50/77/1351895077.db2.gz VQSZRNUQKHNCSN-UHFFFAOYSA-N 1 0 347.423 2.333 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCN1C ZINC001334744463 1336291322 /nfs/dbraw/zinc/29/13/22/1336291322.db2.gz GCFRFBXCNGMOKH-NSHDSACASA-N 1 0 328.372 2.106 20 5 EEBDRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335335711 1336364502 /nfs/dbraw/zinc/36/45/02/1336364502.db2.gz GLMHATPCJKSYBB-INIZCTEOSA-N 1 0 349.431 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOCC2CCOCC2)cc1 ZINC001335396986 1336370651 /nfs/dbraw/zinc/37/06/51/1336370651.db2.gz BATPISBTZSQYOK-QGZVFWFLSA-N 1 0 338.404 2.051 20 5 EEBDRO O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335991122 1336461370 /nfs/dbraw/zinc/46/13/70/1336461370.db2.gz NRNILCBELNBTQF-QGZVFWFLSA-N 1 0 329.400 2.496 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001336724303 1336585845 /nfs/dbraw/zinc/58/58/45/1336585845.db2.gz TUXDZKXWEIEHME-INIZCTEOSA-N 1 0 346.343 2.238 20 5 EEBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001338717652 1336898805 /nfs/dbraw/zinc/89/88/05/1336898805.db2.gz CBWVEJRGGROTLL-KRWDZBQOSA-N 1 0 344.367 2.327 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001345073905 1337424030 /nfs/dbraw/zinc/42/40/30/1337424030.db2.gz DENBDPPZISFMCJ-NSHDSACASA-N 1 0 334.376 2.375 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580288710 1344506704 /nfs/dbraw/zinc/50/67/04/1344506704.db2.gz VEOUQKAJNISOOY-SECBINFHSA-N 1 0 331.294 2.425 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001580693558 1344551397 /nfs/dbraw/zinc/55/13/97/1344551397.db2.gz BDPTZOHLDCLMOY-COXVUDFISA-N 1 0 347.415 2.401 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC001590259678 1349235616 /nfs/dbraw/zinc/23/56/16/1349235616.db2.gz LWXMNDAFVBQVST-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001590376968 1349292715 /nfs/dbraw/zinc/29/27/15/1349292715.db2.gz DJJISANSCJUYFZ-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001593471994 1349807448 /nfs/dbraw/zinc/80/74/48/1349807448.db2.gz XIJGWTKVRBOFGU-CYBMUJFWSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCc1ccc2c[nH+]cn2c1 ZINC001593474355 1349808430 /nfs/dbraw/zinc/80/84/30/1349808430.db2.gz DHAVJLSJFOBWMC-UHFFFAOYSA-N 1 0 336.315 2.035 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110595689 1369124259 /nfs/dbraw/zinc/12/42/59/1369124259.db2.gz BHYCKRJMEOTIAA-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637059 1369591622 /nfs/dbraw/zinc/59/16/22/1369591622.db2.gz OXXFLXNSCPINBL-ZDUSSCGKSA-N 1 0 348.403 2.124 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001115144931 1371529956 /nfs/dbraw/zinc/52/99/56/1371529956.db2.gz UHVYWJBTGQVTSM-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccc1 ZINC001122262468 1371957296 /nfs/dbraw/zinc/95/72/96/1371957296.db2.gz XFCYWNRFGRYHGX-HNNXBMFYSA-N 1 0 343.383 2.164 20 5 EEBDRO Cc1c(NC(=O)CN(CC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001348942738 1372978083 /nfs/dbraw/zinc/97/80/83/1372978083.db2.gz ZNHKAWLEQWBWAB-UHFFFAOYSA-N 1 0 342.399 2.303 20 5 EEBDRO CSCC[C@H]([NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001357315641 1373214944 /nfs/dbraw/zinc/21/49/44/1373214944.db2.gz VEHJJGLNGXNJFZ-LBPRGKRZSA-N 1 0 325.434 2.417 20 5 EEBDRO CC/C=C(\C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001752844171 1406478979 /nfs/dbraw/zinc/47/89/79/1406478979.db2.gz LAZLUUAZERWLES-RLRZRAGISA-N 1 0 329.400 2.498 20 5 EEBDRO [NH3+][C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001580130129 1403831701 /nfs/dbraw/zinc/83/17/01/1403831701.db2.gz NSVSZRYCYJJJEK-INIZCTEOSA-N 1 0 343.387 2.006 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001100278865 1410625418 /nfs/dbraw/zinc/62/54/18/1410625418.db2.gz UFTHSCRRBLQZRF-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO Cc1c(C)c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001164726777 720517637 /nfs/dbraw/zinc/51/76/37/720517637.db2.gz DSEXFMXGJVEZKU-CQSZACIVSA-N 1 0 344.419 2.001 20 5 EEBDRO CC[NH+](CC)C1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001165052747 722003599 /nfs/dbraw/zinc/00/35/99/722003599.db2.gz AGZZOGSQCRPWMW-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001104396733 760147289 /nfs/dbraw/zinc/14/72/89/760147289.db2.gz AWIJGUYUSLKPJQ-UHFFFAOYSA-N 1 0 349.435 2.171 20 5 EEBDRO Cc1nc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001104424841 760689791 /nfs/dbraw/zinc/68/97/91/760689791.db2.gz ARXAPLGXISWFLW-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO [NH3+]Cc1nn(-c2ccc3nsnc3c2[N+](=O)[O-])c2ccccc12 ZINC001167698196 761862104 /nfs/dbraw/zinc/86/21/04/761862104.db2.gz PRKASZOEYYRJEM-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000846694148 790419263 /nfs/dbraw/zinc/41/92/63/790419263.db2.gz NFQGHYGAIAOXIE-QMTHXVAHSA-N 1 0 336.348 2.093 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846954336 790774448 /nfs/dbraw/zinc/77/44/48/790774448.db2.gz FGIBZKXROSXYFM-ZEGGKSINSA-N 1 0 341.795 2.324 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC(=N)SCC[NH3+] ZINC001167915983 780844812 /nfs/dbraw/zinc/84/48/12/780844812.db2.gz MVKAIYRGEAGTQP-UHFFFAOYSA-N 1 0 332.769 2.073 20 5 EEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818001671 785118155 /nfs/dbraw/zinc/11/81/55/785118155.db2.gz PTZMBBAYEBXAMR-ZDUSSCGKSA-N 1 0 336.348 2.059 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC001149218535 791088867 /nfs/dbraw/zinc/08/88/67/791088867.db2.gz UZCMIIKUFBNNKH-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO CN(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000818957117 785343480 /nfs/dbraw/zinc/34/34/80/785343480.db2.gz RLSSJVGVDHPACN-ZDUSSCGKSA-N 1 0 335.326 2.102 20 5 EEBDRO O=C(CC1CCCCC1)NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818992947 785355817 /nfs/dbraw/zinc/35/58/17/785355817.db2.gz UWVHQJRHQMQMHO-QGZVFWFLSA-N 1 0 349.431 2.304 20 5 EEBDRO C[C@H](COc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818970558 785365231 /nfs/dbraw/zinc/36/52/31/785365231.db2.gz WJVGLHPJURHMQZ-CABCVRRESA-N 1 0 346.383 2.392 20 5 EEBDRO COc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819014442 785383186 /nfs/dbraw/zinc/38/31/86/785383186.db2.gz PVNNQIOTHVPGHO-GDBMZVCRSA-N 1 0 344.367 2.230 20 5 EEBDRO CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1CC ZINC000819163389 785440711 /nfs/dbraw/zinc/44/07/11/785440711.db2.gz PHGSMZRBVJSHBC-INIZCTEOSA-N 1 0 346.387 2.038 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819165155 785441845 /nfs/dbraw/zinc/44/18/45/785441845.db2.gz ZIAMFDRVJPEGJT-WBVHZDCISA-N 1 0 347.415 2.009 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000819178055 785449734 /nfs/dbraw/zinc/44/97/34/785449734.db2.gz ZIAVYBIJNSGSHH-CYBMUJFWSA-N 1 0 344.293 2.133 20 5 EEBDRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819311168 785490357 /nfs/dbraw/zinc/49/03/57/785490357.db2.gz LICWEZZEGNDIHJ-MZNJEOGPSA-N 1 0 348.424 2.297 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908574417 785540223 /nfs/dbraw/zinc/54/02/23/785540223.db2.gz XLXYLDAAFHYPJB-UHFFFAOYSA-N 1 0 349.435 2.361 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000996439511 786377027 /nfs/dbraw/zinc/37/70/27/786377027.db2.gz DTXQOHDSEOETAX-HZPDHXFCSA-N 1 0 335.448 2.203 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107204747 786395573 /nfs/dbraw/zinc/39/55/73/786395573.db2.gz RNWXKRHYTZKNDK-AATRIKPKSA-N 1 0 338.383 2.160 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000996429731 786396850 /nfs/dbraw/zinc/39/68/50/786396850.db2.gz VAKMIHPVKGCQQS-HUUCEWRRSA-N 1 0 337.807 2.086 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000805753733 786440150 /nfs/dbraw/zinc/44/01/50/786440150.db2.gz RVPGTHRLUMMQJG-ROUUACIJSA-N 1 0 343.383 2.314 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1ccco1 ZINC000821581671 786802300 /nfs/dbraw/zinc/80/23/00/786802300.db2.gz RVAKHICSJJLCGB-ZDUSSCGKSA-N 1 0 343.347 2.083 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001109605199 805756484 /nfs/dbraw/zinc/75/64/84/805756484.db2.gz RMNBECBFLAOMHI-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CCC[NH+](C)C)c1 ZINC001107474015 787346451 /nfs/dbraw/zinc/34/64/51/787346451.db2.gz JRUHHDCZZQGIBX-SNAWJCMRSA-N 1 0 334.420 2.329 20 5 EEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000823605375 787828912 /nfs/dbraw/zinc/82/89/12/787828912.db2.gz JPSGNARKVXQPAO-MSOLQXFVSA-N 1 0 330.384 2.468 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823899863 787973041 /nfs/dbraw/zinc/97/30/41/787973041.db2.gz YRWFOFNZFUHKHB-XJKSGUPXSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939437 787994453 /nfs/dbraw/zinc/99/44/53/787994453.db2.gz UIKIPDQXOIAADV-BXUZGUMPSA-N 1 0 333.392 2.268 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825035871 788408037 /nfs/dbraw/zinc/40/80/37/788408037.db2.gz UKDLACCFGSVUDA-IRXDYDNUSA-N 1 0 349.431 2.255 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001171401098 794783585 /nfs/dbraw/zinc/78/35/85/794783585.db2.gz RHPLLHPDFWEACQ-GFCCVEGCSA-N 1 0 337.339 2.396 20 5 EEBDRO O=C(CCC[NH+]1CCCC1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094454788 796263968 /nfs/dbraw/zinc/26/39/68/796263968.db2.gz ATZXKABBEFHKMU-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCC[NH+]1CCCC1 ZINC001106780080 796523840 /nfs/dbraw/zinc/52/38/40/796523840.db2.gz UEMQANCHYWCKGJ-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000921839449 796939948 /nfs/dbraw/zinc/93/99/48/796939948.db2.gz ZBQNUBYROAMOSD-UHFFFAOYSA-N 1 0 340.811 2.184 20 5 EEBDRO COCCn1cncc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902169 797130473 /nfs/dbraw/zinc/13/04/73/797130473.db2.gz WJDQIHYQXQIWIJ-MRXNPFEDSA-N 1 0 344.415 2.475 20 5 EEBDRO CNC(=O)N1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905960 797132078 /nfs/dbraw/zinc/13/20/78/797132078.db2.gz VGZQVPMPZXVULD-HNNXBMFYSA-N 1 0 346.431 2.236 20 5 EEBDRO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912909 797170561 /nfs/dbraw/zinc/17/05/61/797170561.db2.gz CYPFHGHKGSMEBY-DLBZAZTESA-N 1 0 331.416 2.443 20 5 EEBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009842 797195206 /nfs/dbraw/zinc/19/52/06/797195206.db2.gz IORXYPBNMSXOLV-ZWNOBZJWSA-N 1 0 341.358 2.297 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1F ZINC001173180664 797278640 /nfs/dbraw/zinc/27/86/40/797278640.db2.gz YDBRGYNYOVWLAT-NEPJUHHUSA-N 1 0 325.384 2.357 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC001173230701 797311727 /nfs/dbraw/zinc/31/17/27/797311727.db2.gz ZMSHPCGIWIFBLW-CQSZACIVSA-N 1 0 327.388 2.138 20 5 EEBDRO CCOC(=O)C1(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC001173233543 797312388 /nfs/dbraw/zinc/31/23/88/797312388.db2.gz JMOZCZKOBFPARA-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095187941 797499039 /nfs/dbraw/zinc/49/90/39/797499039.db2.gz BXERATKCHTXZJQ-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO C[NH+](C)CCCCC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001095233385 797565405 /nfs/dbraw/zinc/56/54/05/797565405.db2.gz UTKFVMZGJUNQCM-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO Cn1c2ccccc2c(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1=O ZINC000829035586 800914324 /nfs/dbraw/zinc/91/43/24/800914324.db2.gz UCHWSJOLBJKREG-UHFFFAOYSA-N 1 0 342.399 2.121 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC001086028225 801970926 /nfs/dbraw/zinc/97/09/26/801970926.db2.gz FFTBBQWMMDPXGK-JNSHFYNHSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084081 802115237 /nfs/dbraw/zinc/11/52/37/802115237.db2.gz BSLDWODHIHPXJA-BVPBIZIASA-N 1 0 343.427 2.214 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC001086150319 802306955 /nfs/dbraw/zinc/30/69/55/802306955.db2.gz CIWYKSXUYLAYTH-XBXGTLAGSA-N 1 0 346.362 2.360 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC001086294461 802683740 /nfs/dbraw/zinc/68/37/40/802683740.db2.gz ZUCIESNMFRBRMS-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c1F ZINC001168887801 803502388 /nfs/dbraw/zinc/50/23/88/803502388.db2.gz NKTXWWNRJGBFRT-UHFFFAOYSA-N 1 0 328.307 2.144 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001168979858 803544183 /nfs/dbraw/zinc/54/41/83/803544183.db2.gz BNQQMLJSSCFYGP-AITUJVMLSA-N 1 0 347.459 2.311 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041009 803583874 /nfs/dbraw/zinc/58/38/74/803583874.db2.gz AJHXVUOQCKJHEE-DVOMOZLQSA-N 1 0 345.415 2.371 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)C1 ZINC001169019346 803587555 /nfs/dbraw/zinc/58/75/55/803587555.db2.gz HXUIYMWGAKSEHL-NUJGCVRESA-N 1 0 345.447 2.214 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001169023499 803589684 /nfs/dbraw/zinc/58/96/84/803589684.db2.gz UYKYOCGHEHMWQI-ZJPYXAASSA-N 1 0 338.448 2.482 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169025445 803591019 /nfs/dbraw/zinc/59/10/19/803591019.db2.gz IYZQJVWQOSGQRH-CZUORRHYSA-N 1 0 335.379 2.029 20 5 EEBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001169074306 803604356 /nfs/dbraw/zinc/60/43/56/803604356.db2.gz JIWQSSKPXFJRHA-OAHLLOKOSA-N 1 0 338.367 2.310 20 5 EEBDRO CC(C)[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+](C)C ZINC000787958361 807314733 /nfs/dbraw/zinc/31/47/33/807314733.db2.gz BKPOXENXXHOHSU-AWEZNQCLSA-N 1 0 338.360 2.091 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000791063085 809057786 /nfs/dbraw/zinc/05/77/86/809057786.db2.gz WETUOSHQZCDSBG-AWEZNQCLSA-N 1 0 334.420 2.336 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn(CCF)cn2)c([N+](=O)[O-])c1 ZINC001170325920 809891651 /nfs/dbraw/zinc/89/16/51/809891651.db2.gz YFAFRRCWBUNHPN-GFCCVEGCSA-N 1 0 336.367 2.490 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170353427 809902009 /nfs/dbraw/zinc/90/20/09/809902009.db2.gz YAVBVBZZPCPUFT-GFCCVEGCSA-N 1 0 349.387 2.109 20 5 EEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792869387 810038270 /nfs/dbraw/zinc/03/82/70/810038270.db2.gz BORHPPCZGHIWAR-AWEZNQCLSA-N 1 0 325.321 2.324 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000804561893 810931228 /nfs/dbraw/zinc/93/12/28/810931228.db2.gz SZEUQHPDXGHHRC-LBPRGKRZSA-N 1 0 336.348 2.168 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccn2c1CCCC2 ZINC001129696879 810960241 /nfs/dbraw/zinc/96/02/41/810960241.db2.gz BFYNNRARYIXNKV-UHFFFAOYSA-N 1 0 348.428 2.314 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000808191105 812505059 /nfs/dbraw/zinc/50/50/59/812505059.db2.gz KSAPMGSDNGCORJ-CHWSQXEVSA-N 1 0 346.387 2.019 20 5 EEBDRO CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000050784514 214071032 /nfs/dbraw/zinc/07/10/32/214071032.db2.gz CZHVNVMMAKORJK-SWLSCSKDSA-N 1 0 331.372 2.349 20 5 EEBDRO CCC[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000054359166 214233365 /nfs/dbraw/zinc/23/33/65/214233365.db2.gz AVIKWTXWZPCPLJ-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645039 214247458 /nfs/dbraw/zinc/24/74/58/214247458.db2.gz OANVADUXCCKKOS-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000132567527 530049456 /nfs/dbraw/zinc/04/94/56/530049456.db2.gz AUFXYISFFGKHAE-UHFFFAOYSA-N 1 0 328.372 2.215 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000179710195 233345906 /nfs/dbraw/zinc/34/59/06/233345906.db2.gz QJRCMPRDMRETLA-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO Cn1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188846413 236681326 /nfs/dbraw/zinc/68/13/26/236681326.db2.gz ZJXYFGGBZCMVRZ-BLLLJJGKSA-N 1 0 330.388 2.246 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420397182 239804184 /nfs/dbraw/zinc/80/41/84/239804184.db2.gz FCMQNDSLFJQIBF-JSGCOSHPSA-N 1 0 340.383 2.312 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000193564459 240215796 /nfs/dbraw/zinc/21/57/96/240215796.db2.gz KRDFJAYTUIKTPJ-XJKSGUPXSA-N 1 0 346.431 2.455 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NCC([NH3+])(CC)CC)cc([N+](=O)[O-])c1 ZINC000422881335 240273271 /nfs/dbraw/zinc/27/32/71/240273271.db2.gz QDRRKYCKLXRSRS-UHFFFAOYSA-N 1 0 337.376 2.019 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000426208240 241236119 /nfs/dbraw/zinc/23/61/19/241236119.db2.gz BRERKGWBTFEJFT-DAXOMENPSA-N 1 0 335.404 2.466 20 5 EEBDRO CC(C)(C[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429787829 241820362 /nfs/dbraw/zinc/82/03/62/241820362.db2.gz IBHUWRHZAYCVRO-UHFFFAOYSA-N 1 0 348.325 2.127 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449649726 242582438 /nfs/dbraw/zinc/58/24/38/242582438.db2.gz SNQIDURYEUYOHY-OLZOCXBDSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@H]([NH2+][C@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451597820 243171600 /nfs/dbraw/zinc/17/16/00/243171600.db2.gz DLUPKRYTQYNYTO-KHIZAZIESA-N 1 0 347.415 2.309 20 5 EEBDRO O=C(CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451617075 243177746 /nfs/dbraw/zinc/17/77/46/243177746.db2.gz XGDUYPFCTAUWTI-FUHWJXTLSA-N 1 0 347.415 2.310 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451634337 243184722 /nfs/dbraw/zinc/18/47/22/243184722.db2.gz UHXBRDKZMSOOMI-PSOPSSQASA-N 1 0 337.376 2.088 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451733941 243233168 /nfs/dbraw/zinc/23/31/68/243233168.db2.gz VUSAWSTZNHYWKU-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452132710 243351067 /nfs/dbraw/zinc/35/10/67/243351067.db2.gz QXVBHFKCYULCOK-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO COCC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000262330133 244925790 /nfs/dbraw/zinc/92/57/90/244925790.db2.gz FEQLZBIETLSLMY-UHFFFAOYSA-N 1 0 349.431 2.050 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000262576668 245040859 /nfs/dbraw/zinc/04/08/59/245040859.db2.gz JVTQSOOVLNJQJX-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353393259 296206414 /nfs/dbraw/zinc/20/64/14/296206414.db2.gz ZIINXMWCFNEFMR-VHSXEESVSA-N 1 0 343.305 2.295 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491574594 246079234 /nfs/dbraw/zinc/07/92/34/246079234.db2.gz FHHQEKWTHOJOQA-DBGMKRSLSA-N 1 0 333.363 2.348 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000266243610 248198303 /nfs/dbraw/zinc/19/83/03/248198303.db2.gz YFGLZZNBZYETTR-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000266540494 248351730 /nfs/dbraw/zinc/35/17/30/248351730.db2.gz GUFZDRORXJYZPX-CVEARBPZSA-N 1 0 334.351 2.128 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261832256 284617001 /nfs/dbraw/zinc/61/70/01/284617001.db2.gz IHFDZJSNQLFOSV-CQSZACIVSA-N 1 0 334.763 2.363 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270990166 256195921 /nfs/dbraw/zinc/19/59/21/256195921.db2.gz DWLLMGSDCJUTSR-RYUDHWBXSA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1cc(N2CCC[C@@H](OCCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272863986 256245284 /nfs/dbraw/zinc/24/52/84/256245284.db2.gz RBXWYRUHJBSHHP-CQSZACIVSA-N 1 0 331.372 2.429 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1O ZINC000273063328 256261800 /nfs/dbraw/zinc/26/18/00/256261800.db2.gz FMEPOFHWDBCRSK-HNNXBMFYSA-N 1 0 346.383 2.392 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000348530317 152962788 /nfs/dbraw/zinc/96/27/88/152962788.db2.gz LNWJXNOSEFZHLY-MRVWCRGKSA-N 1 0 346.330 2.084 20 5 EEBDRO C[NH+]1CCC2(CCCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374155406 153981763 /nfs/dbraw/zinc/98/17/63/153981763.db2.gz AVRHQCJHYFHOFU-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000068256497 159017547 /nfs/dbraw/zinc/01/75/47/159017547.db2.gz CESOKHLMSVOCQO-CQSZACIVSA-N 1 0 334.420 2.243 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074123980 159060432 /nfs/dbraw/zinc/06/04/32/159060432.db2.gz OYVXGJCGTNQYRO-INIZCTEOSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1cc(C)c2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000186720721 160081318 /nfs/dbraw/zinc/08/13/18/160081318.db2.gz HCMFPQIPMBDNAT-UHFFFAOYSA-N 1 0 327.384 2.432 20 5 EEBDRO CSC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187897990 160111925 /nfs/dbraw/zinc/11/19/25/160111925.db2.gz XAWSTPBWPISHHE-CYBMUJFWSA-N 1 0 326.418 2.162 20 5 EEBDRO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247246324 160317030 /nfs/dbraw/zinc/31/70/30/160317030.db2.gz ZQJWAORQBLOEBQ-TZMCWYRMSA-N 1 0 328.434 2.408 20 5 EEBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341390068 160986275 /nfs/dbraw/zinc/98/62/75/160986275.db2.gz KQPPFTGHCARTKJ-XHDPSFHLSA-N 1 0 341.433 2.016 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154090 161044164 /nfs/dbraw/zinc/04/41/64/161044164.db2.gz UMOPNJAZJHWQPB-YVEFUNNKSA-N 1 0 344.415 2.145 20 5 EEBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000342734612 161086844 /nfs/dbraw/zinc/08/68/44/161086844.db2.gz MAJGYYVNZLIGCE-APHBMKBZSA-N 1 0 331.416 2.458 20 5 EEBDRO [NH3+]Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000344106389 161198863 /nfs/dbraw/zinc/19/88/63/161198863.db2.gz KSGXXIOZLHAEET-UHFFFAOYSA-N 1 0 326.356 2.253 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344438407 161227479 /nfs/dbraw/zinc/22/74/79/161227479.db2.gz HSBAIANCBVTLGT-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000345165463 161278270 /nfs/dbraw/zinc/27/82/70/161278270.db2.gz AGPDWPZAASUAOP-LBPRGKRZSA-N 1 0 341.433 2.285 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346107810 161357632 /nfs/dbraw/zinc/35/76/32/161357632.db2.gz RBZPNXBTIGWOBH-BLLLJJGKSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351830435 161943660 /nfs/dbraw/zinc/94/36/60/161943660.db2.gz RWKZNSHZKPXGDL-DCAQKATOSA-N 1 0 341.795 2.211 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352502158 162161185 /nfs/dbraw/zinc/16/11/85/162161185.db2.gz ZNMMHEDQKJTKRT-CQSZACIVSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237398022 286918219 /nfs/dbraw/zinc/91/82/19/286918219.db2.gz LPVOPPVJUGCDEW-KOLCDFICSA-N 1 0 347.824 2.139 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352697135 162250121 /nfs/dbraw/zinc/25/01/21/162250121.db2.gz XYBILCVRBBAAFD-FRRDWIJNSA-N 1 0 334.420 2.472 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352803001 162292585 /nfs/dbraw/zinc/29/25/85/162292585.db2.gz NHWBBGHMCXSOGM-GOEBONIOSA-N 1 0 346.431 2.400 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000352807209 162295866 /nfs/dbraw/zinc/29/58/66/162295866.db2.gz WQMIDUYOIBAJMO-GXFFZTMASA-N 1 0 339.417 2.273 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736096 163285606 /nfs/dbraw/zinc/28/56/06/163285606.db2.gz WCTMRHSFUMYWTI-MFKMUULPSA-N 1 0 348.334 2.388 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000359133823 164068124 /nfs/dbraw/zinc/06/81/24/164068124.db2.gz BOWFUYAQFAEMJB-CQSZACIVSA-N 1 0 337.445 2.033 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1SC ZINC000364169105 165038907 /nfs/dbraw/zinc/03/89/07/165038907.db2.gz KUDUAXSCBRUQKA-SNVBAGLBSA-N 1 0 339.417 2.197 20 5 EEBDRO Cn1cc(C[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370008699 166375372 /nfs/dbraw/zinc/37/53/72/166375372.db2.gz LVRHSSVQMBCLSG-CQSZACIVSA-N 1 0 330.388 2.272 20 5 EEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000362712605 292598273 /nfs/dbraw/zinc/59/82/73/292598273.db2.gz BATQWWTZWPZCNH-YSVLISHTSA-N 1 0 338.404 2.374 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000124186446 222388635 /nfs/dbraw/zinc/38/86/35/222388635.db2.gz LYTDLCROEOFKSC-OAHLLOKOSA-N 1 0 348.447 2.491 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171962957 227393146 /nfs/dbraw/zinc/39/31/46/227393146.db2.gz ARAPZXNFAFKJHG-CQSZACIVSA-N 1 0 337.395 2.278 20 5 EEBDRO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272740141 269015118 /nfs/dbraw/zinc/01/51/18/269015118.db2.gz CQBMACXWUMLQLY-ZDUSSCGKSA-N 1 0 332.404 2.387 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000274457395 269034329 /nfs/dbraw/zinc/03/43/29/269034329.db2.gz JWRIFJLFNHPLPE-UHFFFAOYSA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000275160655 269099442 /nfs/dbraw/zinc/09/94/42/269099442.db2.gz OLGZCZVCTMWECR-KWQFWETISA-N 1 0 342.193 2.085 20 5 EEBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278508850 269234708 /nfs/dbraw/zinc/23/47/08/269234708.db2.gz XZWMFBXOHOPWJG-VIFPVBQESA-N 1 0 334.298 2.141 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266050110 274105587 /nfs/dbraw/zinc/10/55/87/274105587.db2.gz AKGLNAXNDMNWJV-INIZCTEOSA-N 1 0 331.416 2.472 20 5 EEBDRO CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275101921 274222791 /nfs/dbraw/zinc/22/27/91/274222791.db2.gz KDCHDDFJYKLNAP-NEPJUHHUSA-N 1 0 341.458 2.308 20 5 EEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275431571 274248367 /nfs/dbraw/zinc/24/83/67/274248367.db2.gz FJMYTZKDYQNKTC-UHFFFAOYSA-N 1 0 339.367 2.299 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917584 274273035 /nfs/dbraw/zinc/27/30/35/274273035.db2.gz ONOHTYQSPBUTLG-MRXNPFEDSA-N 1 0 349.431 2.148 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000277597820 274318193 /nfs/dbraw/zinc/31/81/93/274318193.db2.gz OGNLHGOXTYVCBA-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000278517743 274363788 /nfs/dbraw/zinc/36/37/88/274363788.db2.gz MOUKNGPLLGWXEO-HVHJFMEUSA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186784900 274485366 /nfs/dbraw/zinc/48/53/66/274485366.db2.gz FSKKVGIZMCRUQX-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285791664 274793354 /nfs/dbraw/zinc/79/33/54/274793354.db2.gz FKBVVMGIHXIALL-UHFFFAOYSA-N 1 0 334.420 2.002 20 5 EEBDRO O=C1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000175924152 275020654 /nfs/dbraw/zinc/02/06/54/275020654.db2.gz BNRXEXPUSIVGPA-ZENOOKHLSA-N 1 0 343.383 2.349 20 5 EEBDRO COC(=O)c1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000291314396 275293228 /nfs/dbraw/zinc/29/32/28/275293228.db2.gz YDDVYOPIWJHZQW-UHFFFAOYSA-N 1 0 331.372 2.361 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291998825 275362349 /nfs/dbraw/zinc/36/23/49/275362349.db2.gz XFKJSOHCRNLHEH-CQSZACIVSA-N 1 0 343.387 2.375 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000236668918 278551620 /nfs/dbraw/zinc/55/16/20/278551620.db2.gz RNQYZEABVZXJEB-AWEZNQCLSA-N 1 0 346.431 2.265 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684382 280167873 /nfs/dbraw/zinc/16/78/73/280167873.db2.gz NNXLLJSMFJVJKB-CYBMUJFWSA-N 1 0 348.359 2.203 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292886714 293069687 /nfs/dbraw/zinc/06/96/87/293069687.db2.gz YLHPOYDSYNQCIV-OAHLLOKOSA-N 1 0 333.388 2.221 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000293237201 293159115 /nfs/dbraw/zinc/15/91/15/293159115.db2.gz YYOQTCJIYHEVRC-CYBMUJFWSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+](C2CCC2)C1 ZINC000293658126 293263324 /nfs/dbraw/zinc/26/33/24/293263324.db2.gz JAYAIBMFQFABAC-LBPRGKRZSA-N 1 0 332.404 2.123 20 5 EEBDRO CCc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294171171 293387121 /nfs/dbraw/zinc/38/71/21/293387121.db2.gz SOYNAJKBAJYFSW-UHFFFAOYSA-N 1 0 331.376 2.168 20 5 EEBDRO CO[C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000423523908 293748914 /nfs/dbraw/zinc/74/89/14/293748914.db2.gz WJMNXCZBBHOKHC-UONOGXRCSA-N 1 0 335.404 2.297 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000298026246 294399908 /nfs/dbraw/zinc/39/99/08/294399908.db2.gz RXIWOWMASTYSMU-GOSISDBHSA-N 1 0 346.431 2.265 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000298160605 294434564 /nfs/dbraw/zinc/43/45/64/294434564.db2.gz QBSOMSSRTHVVRF-UHFFFAOYSA-N 1 0 341.433 2.088 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170713175 311394247 /nfs/dbraw/zinc/39/42/47/311394247.db2.gz AVIFHDIOJHFRQR-HNNXBMFYSA-N 1 0 332.404 2.012 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000332440680 312007881 /nfs/dbraw/zinc/00/78/81/312007881.db2.gz ZSTCAIGMKIQEFY-HIFRSBDPSA-N 1 0 346.431 2.250 20 5 EEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000351489084 312385148 /nfs/dbraw/zinc/38/51/48/312385148.db2.gz BZNYHOKPZUKMSF-XJKSGUPXSA-N 1 0 332.360 2.286 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414656109 313057830 /nfs/dbraw/zinc/05/78/30/313057830.db2.gz MJKHDFDXIAIPDV-QWHCGFSZSA-N 1 0 348.403 2.457 20 5 EEBDRO CO[C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000415576385 313147390 /nfs/dbraw/zinc/14/73/90/313147390.db2.gz GCDMCQKVWMRWRW-QWHCGFSZSA-N 1 0 336.392 2.182 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH2+]C)CC1 ZINC000415657783 313163542 /nfs/dbraw/zinc/16/35/42/313163542.db2.gz MQWOQNVVASYIGO-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000417990122 313679297 /nfs/dbraw/zinc/67/92/97/313679297.db2.gz MANYIDMYPSMNAV-LLVKDONJSA-N 1 0 340.811 2.090 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430645474 314564902 /nfs/dbraw/zinc/56/49/02/314564902.db2.gz UXEFWYBPHNSFNY-GFCCVEGCSA-N 1 0 331.376 2.076 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441650735 315190467 /nfs/dbraw/zinc/19/04/67/315190467.db2.gz VJDMMANBPOXFEY-KBPBESRZSA-N 1 0 333.388 2.200 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000444176614 315280149 /nfs/dbraw/zinc/28/01/49/315280149.db2.gz QCTIRACXSHAGAH-UHFFFAOYSA-N 1 0 349.840 2.257 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449198922 315430977 /nfs/dbraw/zinc/43/09/77/315430977.db2.gz ANCXFKNXYPFOMU-IBGZPJMESA-N 1 0 339.395 2.485 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000517940264 316700009 /nfs/dbraw/zinc/70/00/09/316700009.db2.gz CELJDXAFMMDWBH-ZFWWWQNUSA-N 1 0 346.431 2.068 20 5 EEBDRO C[NH+](C)[C@]1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCSC1 ZINC000531359796 317789625 /nfs/dbraw/zinc/78/96/25/317789625.db2.gz HITDSNBNDLKPRC-HNNXBMFYSA-N 1 0 349.416 2.093 20 5 EEBDRO COc1ccc(CC(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000546973797 318270938 /nfs/dbraw/zinc/27/09/38/318270938.db2.gz NHTXPELZQXTTMV-UHFFFAOYSA-N 1 0 347.415 2.233 20 5 EEBDRO COc1ccc(CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000560768311 318811684 /nfs/dbraw/zinc/81/16/84/318811684.db2.gz KCXXLPZLAVPYQV-DZGCQCFKSA-N 1 0 347.415 2.231 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000560860161 318816261 /nfs/dbraw/zinc/81/62/61/318816261.db2.gz PNSIVLXUGQHUCV-CYBMUJFWSA-N 1 0 338.310 2.403 20 5 EEBDRO C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000564565768 319091573 /nfs/dbraw/zinc/09/15/73/319091573.db2.gz WVBDOFJAXRXPIN-AAEUAGOBSA-N 1 0 329.360 2.416 20 5 EEBDRO COc1ccc(CC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000564817209 319113575 /nfs/dbraw/zinc/11/35/75/319113575.db2.gz JLWLDGKGZDPVGA-UHFFFAOYSA-N 1 0 344.371 2.241 20 5 EEBDRO COC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000567709981 319409203 /nfs/dbraw/zinc/40/92/03/319409203.db2.gz FBSVDRSDQNEAFG-AWEZNQCLSA-N 1 0 338.404 2.273 20 5 EEBDRO O=C(CC[NH2+][C@@H](CO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000570332883 319656116 /nfs/dbraw/zinc/65/61/16/319656116.db2.gz YGUYADJJYCHNTB-OAHLLOKOSA-N 1 0 343.383 2.117 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000574232826 320006971 /nfs/dbraw/zinc/00/69/71/320006971.db2.gz KHBUFJHOPCBUDO-AWEZNQCLSA-N 1 0 330.388 2.102 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000336813231 465048988 /nfs/dbraw/zinc/04/89/88/465048988.db2.gz UAJMKBXUSVPFCH-QMMMGPOBSA-N 1 0 330.182 2.215 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000347509834 465064809 /nfs/dbraw/zinc/06/48/09/465064809.db2.gz WVFRHGGSLYYHEA-MRXNPFEDSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CC(F)(F)F ZINC000358348707 465071198 /nfs/dbraw/zinc/07/11/98/465071198.db2.gz CXYKSKARBKJFKY-GXSJLCMTSA-N 1 0 349.309 2.215 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000358390930 465095738 /nfs/dbraw/zinc/09/57/38/465095738.db2.gz IJJVFNDONCBDSO-OAHLLOKOSA-N 1 0 335.379 2.363 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358416635 465108798 /nfs/dbraw/zinc/10/87/98/465108798.db2.gz DDDHIPBZDAUVEQ-CQSZACIVSA-N 1 0 349.406 2.467 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000074137026 462561066 /nfs/dbraw/zinc/56/10/66/462561066.db2.gz QHJUQGHELITZGR-GFCCVEGCSA-N 1 0 333.392 2.177 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c2c(c1)COCO2 ZINC000046092699 462647475 /nfs/dbraw/zinc/64/74/75/462647475.db2.gz WICWEHZAZBXVHR-GFCCVEGCSA-N 1 0 334.372 2.462 20 5 EEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128574608 462654776 /nfs/dbraw/zinc/65/47/76/462654776.db2.gz GOCZKYUJFOPEOC-XHDPSFHLSA-N 1 0 339.367 2.298 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115274829 462703765 /nfs/dbraw/zinc/70/37/65/462703765.db2.gz QIIGADLGLNJELY-ZBFHGGJFSA-N 1 0 349.431 2.462 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047119592 462745459 /nfs/dbraw/zinc/74/54/59/462745459.db2.gz MYIPVXCAAXROBV-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054939 462770837 /nfs/dbraw/zinc/77/08/37/462770837.db2.gz VZKFNCAKAKZKIZ-BLLLJJGKSA-N 1 0 338.404 2.432 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000065440594 462771602 /nfs/dbraw/zinc/77/16/02/462771602.db2.gz FVFDHEUNENBRMP-CQSZACIVSA-N 1 0 349.435 2.036 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C ZINC000552214901 468318830 /nfs/dbraw/zinc/31/88/30/468318830.db2.gz SVQVMAIVOHJNRO-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO COc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067273327 462986257 /nfs/dbraw/zinc/98/62/57/462986257.db2.gz DWKFQISEGMRUEB-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000134016332 462995541 /nfs/dbraw/zinc/99/55/41/462995541.db2.gz MPDCTGYFURIQBA-JSGCOSHPSA-N 1 0 343.387 2.101 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000051504698 463039179 /nfs/dbraw/zinc/03/91/79/463039179.db2.gz JETDOYBZFGBOBO-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000022992074 463059695 /nfs/dbraw/zinc/05/96/95/463059695.db2.gz JUKCQGBADFLDNA-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CCN(c1ccncc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120982931 463062332 /nfs/dbraw/zinc/06/23/32/463062332.db2.gz OBZMPOYBTVCGCI-UHFFFAOYSA-N 1 0 335.385 2.389 20 5 EEBDRO CCOc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000068473691 463141735 /nfs/dbraw/zinc/14/17/35/463141735.db2.gz VVABNYWHWLOACR-LLVKDONJSA-N 1 0 339.392 2.072 20 5 EEBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000025924995 463143831 /nfs/dbraw/zinc/14/38/31/463143831.db2.gz CSLXYKURONQKIJ-LBPRGKRZSA-N 1 0 349.412 2.435 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCOCC23CCC3)cccc1[N+](=O)[O-] ZINC000135498123 463165232 /nfs/dbraw/zinc/16/52/32/463165232.db2.gz HRMTWKCBIDVRIB-UHFFFAOYSA-N 1 0 333.388 2.487 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000027647584 463200383 /nfs/dbraw/zinc/20/03/83/463200383.db2.gz FNZYAENXCCHDBX-NWDGAFQWSA-N 1 0 337.376 2.041 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000032730718 463390336 /nfs/dbraw/zinc/39/03/36/463390336.db2.gz ZTYLLFOTBHDYCF-KGLIPLIRSA-N 1 0 335.404 2.353 20 5 EEBDRO COCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000056307663 463391159 /nfs/dbraw/zinc/39/11/59/463391159.db2.gz UICGOKQOSPWVRB-UHFFFAOYSA-N 1 0 349.431 2.268 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000124302805 463407327 /nfs/dbraw/zinc/40/73/27/463407327.db2.gz CFYRHRSMRLANQL-CYBMUJFWSA-N 1 0 334.420 2.275 20 5 EEBDRO C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000071954271 463478743 /nfs/dbraw/zinc/47/87/43/463478743.db2.gz GOJIEPNTZQJVCW-NEPJUHHUSA-N 1 0 345.403 2.364 20 5 EEBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000151399464 463524682 /nfs/dbraw/zinc/52/46/82/463524682.db2.gz PWTZRUVUVHTRDG-UHFFFAOYSA-N 1 0 334.420 2.170 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000041967401 463527560 /nfs/dbraw/zinc/52/75/60/463527560.db2.gz WZWFINXAHSVRBF-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111290742 463674463 /nfs/dbraw/zinc/67/44/63/463674463.db2.gz HTUUPHKJAZWBKW-OAHLLOKOSA-N 1 0 333.388 2.060 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](OC)C1 ZINC000170821155 463713584 /nfs/dbraw/zinc/71/35/84/463713584.db2.gz TUSMRRHKJAFWEA-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000177778667 463788942 /nfs/dbraw/zinc/78/89/42/463788942.db2.gz QKQNLEBWBQTPMT-KGLIPLIRSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2CN1 ZINC000261758728 463851660 /nfs/dbraw/zinc/85/16/60/463851660.db2.gz VOXRYSQBFXGKLR-LBPRGKRZSA-N 1 0 347.396 2.282 20 5 EEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185718986 463867159 /nfs/dbraw/zinc/86/71/59/463867159.db2.gz SZZOKIMYTLIUOM-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000287329584 463871235 /nfs/dbraw/zinc/87/12/35/463871235.db2.gz XTOBYAMQIJBWGV-AWEZNQCLSA-N 1 0 337.423 2.221 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261943787 463907199 /nfs/dbraw/zinc/90/71/99/463907199.db2.gz LWAQSRQBHGHHBR-NSHDSACASA-N 1 0 347.824 2.140 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000269209288 463909903 /nfs/dbraw/zinc/90/99/03/463909903.db2.gz OVVVGDPYYUCXJR-KGLIPLIRSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000178691362 463943325 /nfs/dbraw/zinc/94/33/25/463943325.db2.gz YWXYDCOOOCHPQC-NEPJUHHUSA-N 1 0 329.360 2.371 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178759760 463965238 /nfs/dbraw/zinc/96/52/38/463965238.db2.gz VTMCSJBOVCCSOX-LLVKDONJSA-N 1 0 332.385 2.200 20 5 EEBDRO O=c1c(Br)cn(CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000195037342 463980687 /nfs/dbraw/zinc/98/06/87/463980687.db2.gz KGNTXFGNHFTDAA-UHFFFAOYSA-N 1 0 330.182 2.005 20 5 EEBDRO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643062 464044530 /nfs/dbraw/zinc/04/45/30/464044530.db2.gz JTPHYUHAOMIKIN-RHSMWYFYSA-N 1 0 349.431 2.257 20 5 EEBDRO Cc1noc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000269668783 464051803 /nfs/dbraw/zinc/05/18/03/464051803.db2.gz TWRVGHJNQQCCNI-HNNXBMFYSA-N 1 0 332.360 2.199 20 5 EEBDRO C[C@@H]1OCC[C@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279837507 464154746 /nfs/dbraw/zinc/15/47/46/464154746.db2.gz RJSOVQRVBYCMBY-KEYYUXOJSA-N 1 0 336.388 2.242 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(CC)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000188117660 464203962 /nfs/dbraw/zinc/20/39/62/464203962.db2.gz LXWVUUMLJWBTKH-UHFFFAOYSA-N 1 0 337.424 2.218 20 5 EEBDRO Cn1nccc1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284573437 464246171 /nfs/dbraw/zinc/24/61/71/464246171.db2.gz ZBESUSNXEYSYNH-UHFFFAOYSA-N 1 0 330.388 2.414 20 5 EEBDRO COc1ccc(OCCN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173441559 464260883 /nfs/dbraw/zinc/26/08/83/464260883.db2.gz SNUVOCDKEPFDQG-UHFFFAOYSA-N 1 0 337.420 2.256 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c2c(c1)COCO2 ZINC000292788739 464342990 /nfs/dbraw/zinc/34/29/90/464342990.db2.gz QMDFQAWWUOJOKC-OAHLLOKOSA-N 1 0 334.372 2.341 20 5 EEBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000271641358 464349279 /nfs/dbraw/zinc/34/92/79/464349279.db2.gz HICVOLSGWFKLSI-CYBMUJFWSA-N 1 0 331.372 2.424 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292879347 464374525 /nfs/dbraw/zinc/37/45/25/464374525.db2.gz DUXYHTCFLYUWRY-JSGCOSHPSA-N 1 0 331.376 2.077 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237916705 464402000 /nfs/dbraw/zinc/40/20/00/464402000.db2.gz RBVKENYBJITROG-UHFFFAOYSA-N 1 0 347.293 2.018 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237934458 464406402 /nfs/dbraw/zinc/40/64/02/464406402.db2.gz OXAPZGNLPZPYNG-JOYOIKCWSA-N 1 0 347.824 2.044 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccnc1 ZINC000181655753 464518529 /nfs/dbraw/zinc/51/85/29/464518529.db2.gz OVFXCSDAMQYJTH-MLGOLLRUSA-N 1 0 326.356 2.446 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272226277 464526522 /nfs/dbraw/zinc/52/65/22/464526522.db2.gz CWXXDBQLIIYURN-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCOCC1 ZINC000189782754 464548418 /nfs/dbraw/zinc/54/84/18/464548418.db2.gz BHPKJURCSKOXEB-UHFFFAOYSA-N 1 0 338.404 2.355 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000246644231 464607668 /nfs/dbraw/zinc/60/76/68/464607668.db2.gz JWWRJYCCCUODGT-JSGCOSHPSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@H]1CSCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000190470927 464652822 /nfs/dbraw/zinc/65/28/22/464652822.db2.gz GZQZOTBZNWWYSW-OCCSQVGLSA-N 1 0 326.418 2.019 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000176236639 464727690 /nfs/dbraw/zinc/72/76/90/464727690.db2.gz PNTKMUCVLINFNQ-KRWDZBQOSA-N 1 0 348.378 2.376 20 5 EEBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176256962 464733156 /nfs/dbraw/zinc/73/31/56/464733156.db2.gz UFHKAKVJKMRLLE-UHFFFAOYSA-N 1 0 348.428 2.443 20 5 EEBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCO[C@@H]21 ZINC000265971534 464754489 /nfs/dbraw/zinc/75/44/89/464754489.db2.gz KXMQZLHUOXRRSU-BMFZPTHFSA-N 1 0 334.372 2.364 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CO)CCOCC1 ZINC000191006638 464759966 /nfs/dbraw/zinc/75/99/66/464759966.db2.gz RHIRZTHINZEDQZ-UHFFFAOYSA-N 1 0 338.404 2.355 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000282347469 464784297 /nfs/dbraw/zinc/78/42/97/464784297.db2.gz AGZQECKJLJBCRG-CQSZACIVSA-N 1 0 337.395 2.278 20 5 EEBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286040545 464784468 /nfs/dbraw/zinc/78/44/68/464784468.db2.gz AAAAVLUAMOFFAE-YIONKMFJSA-N 1 0 347.415 2.447 20 5 EEBDRO CCn1ccnc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295565529 464883406 /nfs/dbraw/zinc/88/34/06/464883406.db2.gz FSYLOLUSJNBYQE-UHFFFAOYSA-N 1 0 331.376 2.320 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+](C2CC2)C1 ZINC000295781405 464962772 /nfs/dbraw/zinc/96/27/72/464962772.db2.gz XZNQPVVOTXRSTP-ZDUSSCGKSA-N 1 0 346.431 2.217 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCN2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000295908604 465002562 /nfs/dbraw/zinc/00/25/62/465002562.db2.gz JADQNTNTWRPOPP-KRWDZBQOSA-N 1 0 333.432 2.364 20 5 EEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361861 465519263 /nfs/dbraw/zinc/51/92/63/465519263.db2.gz SOWYZVLSPOZLNY-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000343550899 465526981 /nfs/dbraw/zinc/52/69/81/465526981.db2.gz LZHLDQKUOWCPQL-LBPRGKRZSA-N 1 0 330.331 2.312 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CCCOC)CC1 ZINC000360952820 465658892 /nfs/dbraw/zinc/65/88/92/465658892.db2.gz FXMHWSPLDVRCDC-UHFFFAOYSA-N 1 0 325.413 2.032 20 5 EEBDRO CNc1c(C(=O)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361124483 465780922 /nfs/dbraw/zinc/78/09/22/465780922.db2.gz SMJGRZGIPZZMCL-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO Cc1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000361260655 465869697 /nfs/dbraw/zinc/86/96/97/465869697.db2.gz HSUULDMGTJICEK-SFHVURJKSA-N 1 0 342.399 2.347 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000371752254 465978915 /nfs/dbraw/zinc/97/89/15/465978915.db2.gz GDWKGBZIGVLCOA-LBPRGKRZSA-N 1 0 335.795 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000301861557 466047953 /nfs/dbraw/zinc/04/79/53/466047953.db2.gz FBHKGVVKJBOIKA-JKSUJKDBSA-N 1 0 328.372 2.037 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439451 468469776 /nfs/dbraw/zinc/46/97/76/468469776.db2.gz VFKCAGJPHXCMBV-XHDPSFHLSA-N 1 0 328.372 2.340 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000340500391 466134510 /nfs/dbraw/zinc/13/45/10/466134510.db2.gz SAXPGKMBFNQQDW-KFWWJZLASA-N 1 0 349.435 2.045 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362963505 466148567 /nfs/dbraw/zinc/14/85/67/466148567.db2.gz AHUYHPBTWCKSST-CYBMUJFWSA-N 1 0 343.387 2.172 20 5 EEBDRO CCC[C@H]([NH2+]CCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346802110 466164686 /nfs/dbraw/zinc/16/46/86/466164686.db2.gz TVWTUUDCDYFHAL-HNNXBMFYSA-N 1 0 343.387 2.246 20 5 EEBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)C1CC[NH+](CCO)CC1 ZINC000357612138 466176085 /nfs/dbraw/zinc/17/60/85/466176085.db2.gz HQPRKKHVFGOVRP-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2ccccc21 ZINC000367236278 466210448 /nfs/dbraw/zinc/21/04/48/466210448.db2.gz DYFFNZVZTZQYDH-MRXNPFEDSA-N 1 0 341.367 2.324 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349783469 466239042 /nfs/dbraw/zinc/23/90/42/466239042.db2.gz LZVKBGJZGXILFP-SNVBAGLBSA-N 1 0 349.840 2.255 20 5 EEBDRO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000340691943 466266737 /nfs/dbraw/zinc/26/67/37/466266737.db2.gz NYFDOXKETHAJAS-HNNXBMFYSA-N 1 0 342.399 2.490 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000354007949 466322880 /nfs/dbraw/zinc/32/28/80/466322880.db2.gz UZJDGAZVHNHMBW-GFCCVEGCSA-N 1 0 332.404 2.335 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312096 466554834 /nfs/dbraw/zinc/55/48/34/466554834.db2.gz PMUARBFIKFCLIT-ZFWWWQNUSA-N 1 0 342.399 2.499 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000315182081 466558565 /nfs/dbraw/zinc/55/85/65/466558565.db2.gz YFYSVBIYLXOYFH-LLVKDONJSA-N 1 0 329.422 2.141 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591677278 468500936 /nfs/dbraw/zinc/50/09/36/468500936.db2.gz FBHRFIIPHIXHCC-SNVBAGLBSA-N 1 0 331.294 2.486 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H](c2ccccc2)C1 ZINC000372854042 466616037 /nfs/dbraw/zinc/61/60/37/466616037.db2.gz BLJIXPAFTAXYCM-GJZGRUSLSA-N 1 0 340.383 2.005 20 5 EEBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000324671881 466648724 /nfs/dbraw/zinc/64/87/24/466648724.db2.gz KZMWJWMROUTDHX-KRWDZBQOSA-N 1 0 330.384 2.475 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC2(CCC2)C1 ZINC000363910889 466651357 /nfs/dbraw/zinc/65/13/57/466651357.db2.gz SDCODFQWPRVALQ-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591678803 468501607 /nfs/dbraw/zinc/50/16/07/468501607.db2.gz QMKWDDSQSJFVIW-SNVBAGLBSA-N 1 0 342.193 2.311 20 5 EEBDRO Cc1c(CC(=O)N(CC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000423570894 466775884 /nfs/dbraw/zinc/77/58/84/466775884.db2.gz XHVRTFQGRVXPPM-UHFFFAOYSA-N 1 0 327.384 2.433 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCC3(O)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000411659287 466868489 /nfs/dbraw/zinc/86/84/89/466868489.db2.gz OUXLNNHGZXRVLZ-UHFFFAOYSA-N 1 0 349.431 2.421 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365669952 466903107 /nfs/dbraw/zinc/90/31/07/466903107.db2.gz LLKGKLDTMOFSBB-HNNXBMFYSA-N 1 0 346.431 2.453 20 5 EEBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000411862995 466920607 /nfs/dbraw/zinc/92/06/07/466920607.db2.gz GMXCZYATMYRBSR-LSDHHAIUSA-N 1 0 333.388 2.280 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411964363 466949724 /nfs/dbraw/zinc/94/97/24/466949724.db2.gz INLFTDSPZSZJFF-SFHVURJKSA-N 1 0 325.368 2.224 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424039460 466960665 /nfs/dbraw/zinc/96/06/65/466960665.db2.gz JYMYJEPTDHYVOE-OAHLLOKOSA-N 1 0 332.404 2.148 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417951979 467001115 /nfs/dbraw/zinc/00/11/15/467001115.db2.gz XOCBIUGGIPXQBJ-MRXNPFEDSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424318571 467029284 /nfs/dbraw/zinc/02/92/84/467029284.db2.gz PSFTWNIGOKUXLT-VMGRFDJRSA-N 1 0 330.388 2.379 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000377142480 467040768 /nfs/dbraw/zinc/04/07/68/467040768.db2.gz QRTZQNMVOVQARY-OAHLLOKOSA-N 1 0 347.415 2.346 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418624911 467137391 /nfs/dbraw/zinc/13/73/91/467137391.db2.gz PQBRKBWVUQVOLK-INIZCTEOSA-N 1 0 334.420 2.296 20 5 EEBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413173724 467183820 /nfs/dbraw/zinc/18/38/20/467183820.db2.gz SLVQLJFECOECFT-CYBMUJFWSA-N 1 0 330.388 2.036 20 5 EEBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000419831578 467257645 /nfs/dbraw/zinc/25/76/45/467257645.db2.gz UVQIUDXSWRPHDU-ZBFHGGJFSA-N 1 0 334.372 2.466 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645457 467264206 /nfs/dbraw/zinc/26/42/06/467264206.db2.gz AVJLLODIVUVSFD-UKRRQHHQSA-N 1 0 338.429 2.162 20 5 EEBDRO COc1ccc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000428861897 467277129 /nfs/dbraw/zinc/27/71/29/467277129.db2.gz LNZLTVCZVYXTPU-PXAZEXFGSA-N 1 0 343.383 2.351 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000378402355 467292448 /nfs/dbraw/zinc/29/24/48/467292448.db2.gz LNFIWPAQHHTWKT-UHFFFAOYSA-N 1 0 342.355 2.043 20 5 EEBDRO COC(=O)c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433808498 467354766 /nfs/dbraw/zinc/35/47/66/467354766.db2.gz CWACYXXIEOIWOV-CYBMUJFWSA-N 1 0 334.376 2.205 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429694857 467359939 /nfs/dbraw/zinc/35/99/39/467359939.db2.gz CKWZSRNHVNWJPS-CVEARBPZSA-N 1 0 334.420 2.421 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000433935634 467365124 /nfs/dbraw/zinc/36/51/24/467365124.db2.gz CYDIAYFPXMYDIH-UHFFFAOYSA-N 1 0 335.408 2.142 20 5 EEBDRO COc1ccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000429922124 467382379 /nfs/dbraw/zinc/38/23/79/467382379.db2.gz WBEOQTQZXUKGAO-JSGCOSHPSA-N 1 0 335.404 2.245 20 5 EEBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000414192340 467388723 /nfs/dbraw/zinc/38/87/23/467388723.db2.gz SYTCZBUJIHZUIX-OAHLLOKOSA-N 1 0 349.431 2.127 20 5 EEBDRO Cc1c(NC(=O)CCN2CCCC[C@@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000430630223 467452990 /nfs/dbraw/zinc/45/29/90/467452990.db2.gz XWQCLRCBVAVVFJ-CZUORRHYSA-N 1 0 334.420 2.434 20 5 EEBDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000435733010 467491960 /nfs/dbraw/zinc/49/19/60/467491960.db2.gz RNJZTLMZPRUJKA-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420924700 467515503 /nfs/dbraw/zinc/51/55/03/467515503.db2.gz KGVYXFVUOYOJDF-STQMWFEESA-N 1 0 338.408 2.234 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@H]1CCC[NH2+]1 ZINC000444261695 467582339 /nfs/dbraw/zinc/58/23/39/467582339.db2.gz HCTQWJDERCTSPZ-OAHLLOKOSA-N 1 0 349.434 2.413 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449399232 467639995 /nfs/dbraw/zinc/63/99/95/467639995.db2.gz YVFMATRACFNBMY-NVXWUHKLSA-N 1 0 335.448 2.352 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449582322 467665794 /nfs/dbraw/zinc/66/57/94/467665794.db2.gz FRCJWYASSXXYLN-STQMWFEESA-N 1 0 345.403 2.266 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000449579114 467665808 /nfs/dbraw/zinc/66/58/08/467665808.db2.gz XGYUSCBTKSIQPU-AWEZNQCLSA-N 1 0 327.384 2.432 20 5 EEBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585492 467666849 /nfs/dbraw/zinc/66/68/49/467666849.db2.gz FERCIIRHCYHWCB-WBMJQRKESA-N 1 0 334.351 2.477 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000449725688 467701191 /nfs/dbraw/zinc/70/11/91/467701191.db2.gz VOEQOSTZODOYMN-NSHDSACASA-N 1 0 331.250 2.351 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H](O)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449739325 467703662 /nfs/dbraw/zinc/70/36/62/467703662.db2.gz KFFGDEJZWIDZMY-MRXNPFEDSA-N 1 0 330.388 2.246 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000492721869 467727701 /nfs/dbraw/zinc/72/77/01/467727701.db2.gz LTOJDRVMIKIIQM-KRWDZBQOSA-N 1 0 333.388 2.096 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000458158756 467779540 /nfs/dbraw/zinc/77/95/40/467779540.db2.gz DTQBRSYPRUJUHY-CQSZACIVSA-N 1 0 344.415 2.398 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494204374 468036881 /nfs/dbraw/zinc/03/68/81/468036881.db2.gz JDKCRBGFWMHULT-BZNIZROVSA-N 1 0 337.376 2.089 20 5 EEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517080162 468070248 /nfs/dbraw/zinc/07/02/48/468070248.db2.gz LONPAKVMLGQDQQ-GFCCVEGCSA-N 1 0 331.376 2.027 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000490053522 468189476 /nfs/dbraw/zinc/18/94/76/468189476.db2.gz LKXOKJKZXTVWGP-MCIONIFRSA-N 1 0 333.388 2.140 20 5 EEBDRO Cc1c(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000590389031 468244648 /nfs/dbraw/zinc/24/46/48/468244648.db2.gz RDUQLLWJMOGTOY-ZDUSSCGKSA-N 1 0 347.415 2.229 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197150 468508726 /nfs/dbraw/zinc/50/87/26/468508726.db2.gz AMDJYUMUWTYNJQ-UONOGXRCSA-N 1 0 333.388 2.350 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597440395 468556468 /nfs/dbraw/zinc/55/64/68/468556468.db2.gz MMERJLBCBAPWHI-INIZCTEOSA-N 1 0 344.415 2.411 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000582661525 468574486 /nfs/dbraw/zinc/57/44/86/468574486.db2.gz NCLXWBAIGZKBJA-UHFFFAOYSA-N 1 0 342.193 2.087 20 5 EEBDRO CNc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594420558 468580284 /nfs/dbraw/zinc/58/02/84/468580284.db2.gz WRMWTDJPGJLLRJ-LSDHHAIUSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1cnc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594576941 468625032 /nfs/dbraw/zinc/62/50/32/468625032.db2.gz HMQAKOUNYDWHJE-HNNXBMFYSA-N 1 0 345.399 2.179 20 5 EEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629024 468639686 /nfs/dbraw/zinc/63/96/86/468639686.db2.gz WRPONMUWKFAAHH-UHFFFAOYSA-N 1 0 347.371 2.072 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2COCCN2)s1 ZINC000600771854 468653442 /nfs/dbraw/zinc/65/34/42/468653442.db2.gz BPWOFWNXBBGCBE-LBPRGKRZSA-N 1 0 333.413 2.401 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)n2)cc1 ZINC000592356758 468682478 /nfs/dbraw/zinc/68/24/78/468682478.db2.gz IKZUZLMHQLKWIX-LBPRGKRZSA-N 1 0 326.316 2.255 20 5 EEBDRO Cn1cc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592432449 468696597 /nfs/dbraw/zinc/69/65/97/468696597.db2.gz JWWLFVCJWIGJTP-DYVFJYSZSA-N 1 0 341.415 2.179 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592484968 468708632 /nfs/dbraw/zinc/70/86/32/468708632.db2.gz LDGCFWLKAOKFSQ-MRXNPFEDSA-N 1 0 334.420 2.162 20 5 EEBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485019 468708643 /nfs/dbraw/zinc/70/86/43/468708643.db2.gz NSSDDKORUDXHQI-CYBMUJFWSA-N 1 0 340.811 2.117 20 5 EEBDRO C[C@@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000597993325 468734549 /nfs/dbraw/zinc/73/45/49/468734549.db2.gz RIFXNBDTKGZFLE-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594992944 468740449 /nfs/dbraw/zinc/74/04/49/468740449.db2.gz LZCAKLRCLRTHTD-RCFWFJCLSA-N 1 0 331.416 2.451 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000595009400 468743207 /nfs/dbraw/zinc/74/32/07/468743207.db2.gz RXQKKJLSTJHEKM-ZDUSSCGKSA-N 1 0 337.420 2.365 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000601123366 468750719 /nfs/dbraw/zinc/75/07/19/468750719.db2.gz AVINYRYDACVTHD-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000601183644 468774442 /nfs/dbraw/zinc/77/44/42/468774442.db2.gz AGHFJYJTOWGIKP-ZJUUUORDSA-N 1 0 341.209 2.140 20 5 EEBDRO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000584111144 468801814 /nfs/dbraw/zinc/80/18/14/468801814.db2.gz NUFKHOJBOBYTKS-GUYCJALGSA-N 1 0 343.383 2.426 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1SC ZINC000584226488 468824506 /nfs/dbraw/zinc/82/45/06/468824506.db2.gz LPAJAIHHVPXDQS-HNNXBMFYSA-N 1 0 339.417 2.183 20 5 EEBDRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965754 468829018 /nfs/dbraw/zinc/82/90/18/468829018.db2.gz IFTLDQLOHOOCGB-CYBMUJFWSA-N 1 0 335.429 2.181 20 5 EEBDRO CCCc1nc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000584287245 468836787 /nfs/dbraw/zinc/83/67/87/468836787.db2.gz ZGKSSBUQVGKVJL-CYBMUJFWSA-N 1 0 349.387 2.373 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561212816 468876644 /nfs/dbraw/zinc/87/66/44/468876644.db2.gz UCMYUAJKNPHHGY-INIZCTEOSA-N 1 0 346.431 2.441 20 5 EEBDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000561224863 468878885 /nfs/dbraw/zinc/87/88/85/468878885.db2.gz GAOKQSBWEIGOOZ-SJORKVTESA-N 1 0 330.388 2.202 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504431 468879969 /nfs/dbraw/zinc/87/99/69/468879969.db2.gz JAVNYKACVFGJLJ-GOSISDBHSA-N 1 0 346.431 2.259 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505170 468880955 /nfs/dbraw/zinc/88/09/55/468880955.db2.gz QFTRQKTWPCVLJY-KSSFIOAISA-N 1 0 346.431 2.340 20 5 EEBDRO CNc1nccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000561308889 468885824 /nfs/dbraw/zinc/88/58/24/468885824.db2.gz JHWFDVVSKABRJP-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598560442 468913821 /nfs/dbraw/zinc/91/38/21/468913821.db2.gz LXZTZKLYWJEZHY-CQSZACIVSA-N 1 0 346.431 2.488 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598668611 468952055 /nfs/dbraw/zinc/95/20/55/468952055.db2.gz BJUQEXQWXFJUGX-OZVIIMIRSA-N 1 0 335.429 2.415 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682099 468957738 /nfs/dbraw/zinc/95/77/38/468957738.db2.gz LLCFSEQZKMWJJS-SUMWQHHRSA-N 1 0 332.404 2.045 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2nccn21 ZINC000602684414 469009761 /nfs/dbraw/zinc/00/97/61/469009761.db2.gz XWAANZNGFFXINA-DOMZBBRYSA-N 1 0 342.403 2.451 20 5 EEBDRO C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](C)O1 ZINC000602690484 469013392 /nfs/dbraw/zinc/01/33/92/469013392.db2.gz NOSCSIBAAVMJSR-MGPQQGTHSA-N 1 0 334.420 2.362 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714609 469047564 /nfs/dbraw/zinc/04/75/64/469047564.db2.gz VMHKVZIXJSLRAW-QLJPJBMISA-N 1 0 328.372 2.289 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595870094 469053943 /nfs/dbraw/zinc/05/39/43/469053943.db2.gz GAYUMLKJLIDAFW-DYVFJYSZSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595870535 469054819 /nfs/dbraw/zinc/05/48/19/469054819.db2.gz HGRVSTAIJXFOIZ-SJCJKPOMSA-N 1 0 335.404 2.182 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC000595881741 469062430 /nfs/dbraw/zinc/06/24/30/469062430.db2.gz VNICZRBQBGGQEG-RDJZCZTQSA-N 1 0 336.436 2.445 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1C ZINC000610800416 469076348 /nfs/dbraw/zinc/07/63/48/469076348.db2.gz QNUAAILKGNZBIG-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000602812783 469091921 /nfs/dbraw/zinc/09/19/21/469091921.db2.gz ZPJBOXCHLUDPEC-AWEZNQCLSA-N 1 0 338.408 2.153 20 5 EEBDRO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599040603 469096046 /nfs/dbraw/zinc/09/60/46/469096046.db2.gz LMIUSVPTHFANIW-AWEZNQCLSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C(C)(C)C[NH+](C)C ZINC000587984712 469099145 /nfs/dbraw/zinc/09/91/45/469099145.db2.gz GZNMJHBOQQAWMT-LLVKDONJSA-N 1 0 349.435 2.173 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593759195 469126937 /nfs/dbraw/zinc/12/69/37/469126937.db2.gz UDCNQBHBBRBYEE-IOASZLSFSA-N 1 0 348.403 2.345 20 5 EEBDRO Cc1cccc(C[NH+]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596057131 469131715 /nfs/dbraw/zinc/13/17/15/469131715.db2.gz GUXLLLAAGZANEN-UHFFFAOYSA-N 1 0 328.372 2.326 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000563195806 469193788 /nfs/dbraw/zinc/19/37/88/469193788.db2.gz UFZLYRUNQBJLBZ-LLVKDONJSA-N 1 0 337.424 2.073 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244104 469207795 /nfs/dbraw/zinc/20/77/95/469207795.db2.gz AXGLRTQEFNGFKB-CXAGYDPISA-N 1 0 346.431 2.070 20 5 EEBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187843 469210248 /nfs/dbraw/zinc/21/02/48/469210248.db2.gz ZGXYIIRRDLMVGH-AAQZWPSQSA-N 1 0 331.416 2.403 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+](C3CCC3)CC1)OCCO2 ZINC000611271753 469215645 /nfs/dbraw/zinc/21/56/45/469215645.db2.gz UNPVTRCGMVXEKB-UHFFFAOYSA-N 1 0 333.388 2.036 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCC[N@H+](CC4CC4)C3)c2c1 ZINC000596571535 469304095 /nfs/dbraw/zinc/30/40/95/469304095.db2.gz VBJQNLAFQVPULO-CQSZACIVSA-N 1 0 341.415 3.072 20 5 EEBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547004 469356464 /nfs/dbraw/zinc/35/64/64/469356464.db2.gz WDLLUHBUFPHGLJ-DYVFJYSZSA-N 1 0 336.436 2.345 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](C[NH+]4CCCC4)C3)c21 ZINC000612443803 469466797 /nfs/dbraw/zinc/46/67/97/469466797.db2.gz HVHGQSALGPFJLD-CYBMUJFWSA-N 1 0 327.388 2.460 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612610711 469508187 /nfs/dbraw/zinc/50/81/87/469508187.db2.gz HTQYILWFBFJBEQ-UHFFFAOYSA-N 1 0 345.334 2.483 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000608836704 469882309 /nfs/dbraw/zinc/88/23/09/469882309.db2.gz GFSVZGFOVHIJIF-MQDFFIGUSA-N 1 0 342.399 2.464 20 5 EEBDRO CC(C)[NH2+]CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000608895627 469884868 /nfs/dbraw/zinc/88/48/68/469884868.db2.gz FPUKANMXGUWJKV-UHFFFAOYSA-N 1 0 348.325 2.140 20 5 EEBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583451 469943268 /nfs/dbraw/zinc/94/32/68/469943268.db2.gz JDOYARUASRIWSR-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610297288 470000969 /nfs/dbraw/zinc/00/09/69/470000969.db2.gz YVRWWNJDAVABLW-HNNXBMFYSA-N 1 0 342.399 2.280 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000610391144 470010011 /nfs/dbraw/zinc/01/00/11/470010011.db2.gz XJHIVGFQRNJNTA-GOSISDBHSA-N 1 0 343.383 2.339 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602538260 485641359 /nfs/dbraw/zinc/64/13/59/485641359.db2.gz BUYAEGSNWDWTKO-DTWKUNHWSA-N 1 0 337.323 2.256 20 5 EEBDRO O=C(CC[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411167310 534392777 /nfs/dbraw/zinc/39/27/77/534392777.db2.gz NXCZKKUEZFHCQZ-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000174843960 534889160 /nfs/dbraw/zinc/88/91/60/534889160.db2.gz MLWDTZHBFDQPKJ-HNNXBMFYSA-N 1 0 344.371 2.400 20 5 EEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191660630 528436805 /nfs/dbraw/zinc/43/68/05/528436805.db2.gz JBYWTKXFSMUPQJ-GOSISDBHSA-N 1 0 349.431 2.431 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194641299 535440286 /nfs/dbraw/zinc/44/02/86/535440286.db2.gz GTHFBAAVPDDOJM-UWVGGRQHSA-N 1 0 325.321 2.180 20 5 EEBDRO CC[NH+](CC)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447802355 535542105 /nfs/dbraw/zinc/54/21/05/535542105.db2.gz JYJOKYKAVJHJAJ-UHFFFAOYSA-N 1 0 336.436 2.181 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451496337 536839665 /nfs/dbraw/zinc/83/96/65/536839665.db2.gz UKORGCQEQOBAKG-JLJPHGGASA-N 1 0 338.404 2.128 20 5 EEBDRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000771460556 577213737 /nfs/dbraw/zinc/21/37/37/577213737.db2.gz QEMXHCCJPCSLDR-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H](CC[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773046077 577312197 /nfs/dbraw/zinc/31/21/97/577312197.db2.gz ZTYVHMZYIQBPNY-NPMABZOXSA-N 1 0 339.461 2.310 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000765013425 577492806 /nfs/dbraw/zinc/49/28/06/577492806.db2.gz HFECBTCTJVPQEN-QGZVFWFLSA-N 1 0 331.420 2.482 20 5 EEBDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847361 577508195 /nfs/dbraw/zinc/50/81/95/577508195.db2.gz BDDWJBWZNULATH-SJLPKXTDSA-N 1 0 330.384 2.476 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c2nonc21 ZINC000763376181 577720202 /nfs/dbraw/zinc/72/02/02/577720202.db2.gz NONNWDJJQKHQPN-DGCLKSJQSA-N 1 0 347.375 2.186 20 5 EEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000742413110 577872630 /nfs/dbraw/zinc/87/26/30/577872630.db2.gz ZWCHZQZIYAXUEH-DGCLKSJQSA-N 1 0 332.404 2.382 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC3(C2)CCOCC3)c2ncc([N+](=O)[O-])cc12 ZINC000749961086 577984857 /nfs/dbraw/zinc/98/48/57/577984857.db2.gz YWJMUFITRPVDIU-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020530207 675021213 /nfs/dbraw/zinc/02/12/13/675021213.db2.gz OGVIEUMOYGDYLI-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020808539 675505942 /nfs/dbraw/zinc/50/59/42/675505942.db2.gz AFSFHWTXCBRRKF-JOCQHMNTSA-N 1 0 345.355 2.247 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000892143519 676911085 /nfs/dbraw/zinc/91/10/85/676911085.db2.gz JCYRVDMJARPUKG-AWEZNQCLSA-N 1 0 349.431 2.473 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)C1CC1 ZINC000840879098 680023718 /nfs/dbraw/zinc/02/37/18/680023718.db2.gz LWTYQTKSHOUHHS-OAHLLOKOSA-N 1 0 338.429 2.083 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000983105471 681802905 /nfs/dbraw/zinc/80/29/05/681802905.db2.gz KDPFVHKAMBWCML-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(Cc1ccoc1)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025752265 683259864 /nfs/dbraw/zinc/25/98/64/683259864.db2.gz CBMJLMWQBJEULR-VIKVFOODSA-N 1 0 347.396 2.038 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2CCCCCC2)C1 ZINC001020022065 683530761 /nfs/dbraw/zinc/53/07/61/683530761.db2.gz PYBSJTGOQSRVLK-HDJSIYSDSA-N 1 0 349.435 2.036 20 5 EEBDRO O=C(Cc1cncs1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020265648 683573980 /nfs/dbraw/zinc/57/39/80/683573980.db2.gz VHTDSMCLEIWKTI-JOCQHMNTSA-N 1 0 346.412 2.031 20 5 EEBDRO CC[NH+]1CCN(c2cccc(Nc3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000893240457 684216406 /nfs/dbraw/zinc/21/64/06/684216406.db2.gz WYZWOAYZJWDBCO-UHFFFAOYSA-N 1 0 330.392 2.214 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000895278489 684431835 /nfs/dbraw/zinc/43/18/35/684431835.db2.gz KTUNTLDZYKKCBQ-NSHDSACASA-N 1 0 332.385 2.402 20 5 EEBDRO CC1=NO[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000895311739 684477182 /nfs/dbraw/zinc/47/71/82/684477182.db2.gz QTQCOHSLEVTDNN-HNNXBMFYSA-N 1 0 329.360 2.250 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000896980325 686022895 /nfs/dbraw/zinc/02/28/95/686022895.db2.gz BGRIVGAANTWPOD-UHFFFAOYSA-N 1 0 349.431 2.177 20 5 EEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000866962947 689712422 /nfs/dbraw/zinc/71/24/22/689712422.db2.gz TUFWTFOWTLDXPP-UHFFFAOYSA-N 1 0 334.781 2.051 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905057987 694522084 /nfs/dbraw/zinc/52/20/84/694522084.db2.gz BEHVCVPJPKGVCQ-UHFFFAOYSA-N 1 0 333.392 2.474 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001105467695 1187537058 /nfs/dbraw/zinc/53/70/58/1187537058.db2.gz ZGTFQDUVGFLMEQ-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000159428334 1188716050 /nfs/dbraw/zinc/71/60/50/1188716050.db2.gz QUIAYMFXDZMJNR-JTQLQIEISA-N 1 0 328.210 2.493 20 5 EEBDRO O=C(CCCC1CCOCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128846008 1195800125 /nfs/dbraw/zinc/80/01/25/1195800125.db2.gz CIRWPPLXEFERAI-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=C(CCCC1CCOCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128846381 1195801374 /nfs/dbraw/zinc/80/13/74/1195801374.db2.gz TWGMLCCLFOZZPF-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000794575247 1197936798 /nfs/dbraw/zinc/93/67/98/1197936798.db2.gz VICHXBRQOAGDAO-PWSUYJOCSA-N 1 0 341.795 2.327 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000125036596 1198905679 /nfs/dbraw/zinc/90/56/79/1198905679.db2.gz SVEAQGSLBDMFLL-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000813630124 1199110251 /nfs/dbraw/zinc/11/02/51/1199110251.db2.gz HTWKUHCVFLWPDO-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH+](C)CCCC1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828139105 1199318297 /nfs/dbraw/zinc/31/82/97/1199318297.db2.gz XYJJQRMCOSAKTE-KRWDZBQOSA-N 1 0 349.431 2.209 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001134387203 1199539316 /nfs/dbraw/zinc/53/93/16/1199539316.db2.gz ICNDOGSYMIMVEQ-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000877095958 1199861817 /nfs/dbraw/zinc/86/18/17/1199861817.db2.gz WIHDCCBFRJQSNJ-IHRRRGAJSA-N 1 0 348.447 2.496 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000812387923 1200688084 /nfs/dbraw/zinc/68/80/84/1200688084.db2.gz VJVQDALYXMRLIF-CYBMUJFWSA-N 1 0 347.419 2.181 20 5 EEBDRO Cc1c[n+]([O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170679930 1200772421 /nfs/dbraw/zinc/77/24/21/1200772421.db2.gz MRKMQMCLCSCWNY-LBPRGKRZSA-N 1 0 339.355 2.409 20 5 EEBDRO CN1CC[NH+](C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213683 1201467806 /nfs/dbraw/zinc/46/78/06/1201467806.db2.gz VPDHGNRGJXIDRE-UHFFFAOYSA-N 1 0 338.839 2.464 20 5 EEBDRO COC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866241696 1201474090 /nfs/dbraw/zinc/47/40/90/1201474090.db2.gz FVEUMCUULOTLAZ-NSHDSACASA-N 1 0 339.367 2.485 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867953475 1201713763 /nfs/dbraw/zinc/71/37/63/1201713763.db2.gz XPGDWYZNYWNKMG-LJQANCHMSA-N 1 0 339.395 2.300 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884062056 1202219879 /nfs/dbraw/zinc/21/98/79/1202219879.db2.gz FABIIWJNHLRMSZ-GFCCVEGCSA-N 1 0 325.796 2.452 20 5 EEBDRO C[NH+](C)C1(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001095434679 1205742858 /nfs/dbraw/zinc/74/28/58/1205742858.db2.gz VLKMCKNKFPREPS-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000931041308 1206602135 /nfs/dbraw/zinc/60/21/35/1206602135.db2.gz CEUSYCOHKDNXRD-CZUORRHYSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000195625032 1211444805 /nfs/dbraw/zinc/44/48/05/1211444805.db2.gz GIWMTPZLUSLSOC-UPJWGTAASA-N 1 0 334.420 2.273 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1C ZINC000246969421 1213458754 /nfs/dbraw/zinc/45/87/54/1213458754.db2.gz PXPYZCVCFKWIQL-BWACUDIHSA-N 1 0 346.387 2.050 20 5 EEBDRO Cc1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020044046 1229456220 /nfs/dbraw/zinc/45/62/20/1229456220.db2.gz RMQOWFGCPAGFEZ-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000119620693 1229563427 /nfs/dbraw/zinc/56/34/27/1229563427.db2.gz KZBWVYUSCDVFNC-NSHDSACASA-N 1 0 347.462 2.057 20 5 EEBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801519344 1235765848 /nfs/dbraw/zinc/76/58/48/1235765848.db2.gz MDDLMQKXQXXILZ-UHFFFAOYSA-N 1 0 326.368 2.486 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000802142393 1236990916 /nfs/dbraw/zinc/99/09/16/1236990916.db2.gz VXESYXGBIQHBCN-SBSDFTTDSA-N 1 0 334.372 2.260 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001048814495 1238717934 /nfs/dbraw/zinc/71/79/34/1238717934.db2.gz OGDPJBOPTQKUAV-XMTFNYHQSA-N 1 0 349.475 2.402 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000826733435 1248045185 /nfs/dbraw/zinc/04/51/85/1248045185.db2.gz HDEBGFIVOBENAM-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000827500565 1248298913 /nfs/dbraw/zinc/29/89/13/1248298913.db2.gz CXBPBOPQINHIOU-XBXGTLAGSA-N 1 0 333.388 2.105 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000827505831 1248305905 /nfs/dbraw/zinc/30/59/05/1248305905.db2.gz BOHAVAXLYXZOIX-CQSZACIVSA-N 1 0 335.404 2.088 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000827506818 1248321396 /nfs/dbraw/zinc/32/13/96/1248321396.db2.gz ZEWYVRQKAHMPHS-AWEZNQCLSA-N 1 0 335.404 2.277 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001072725840 1255329327 /nfs/dbraw/zinc/32/93/27/1255329327.db2.gz SGTOEHUKUHCRNC-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])CC2 ZINC000867193743 1284196356 /nfs/dbraw/zinc/19/63/56/1284196356.db2.gz ICJXJLQNCIFMIV-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000856478204 1293541001 /nfs/dbraw/zinc/54/10/01/1293541001.db2.gz XTMPTXOIOCGDCT-AWEZNQCLSA-N 1 0 346.431 2.337 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000856739769 1293613664 /nfs/dbraw/zinc/61/36/64/1293613664.db2.gz ZPBSTTBIFQWYSE-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000857763854 1293910883 /nfs/dbraw/zinc/91/08/83/1293910883.db2.gz AALPBQYDDUUGTD-GHMZBOCLSA-N 1 0 343.330 2.071 20 5 EEBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858586197 1294160056 /nfs/dbraw/zinc/16/00/56/1294160056.db2.gz GXEWVRSTDTUWPF-UMVBOHGHSA-N 1 0 335.404 2.304 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859960382 1294727648 /nfs/dbraw/zinc/72/76/48/1294727648.db2.gz GRSBZRLKTSAVMS-NSHDSACASA-N 1 0 343.811 2.335 20 5 EEBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC001226430091 1301409222 /nfs/dbraw/zinc/40/92/22/1301409222.db2.gz CFJPUJMUXYUBMF-NSHDSACASA-N 1 0 338.360 2.253 20 5 EEBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226433481 1301410540 /nfs/dbraw/zinc/41/05/40/1301410540.db2.gz DSEBVVKYWZXKFR-NSHDSACASA-N 1 0 338.360 2.253 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001226789151 1301555308 /nfs/dbraw/zinc/55/53/08/1301555308.db2.gz JSJHWMBCVZIUTN-LLVKDONJSA-N 1 0 345.193 2.457 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1 ZINC001226862830 1301587922 /nfs/dbraw/zinc/58/79/22/1301587922.db2.gz MLJSHNHIGZAGBN-QGZVFWFLSA-O 1 0 330.404 2.422 20 5 EEBDRO O=[N+]([O-])c1nc(Br)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227257357 1301751855 /nfs/dbraw/zinc/75/18/55/1301751855.db2.gz XAVHIYUFBTXBFN-SNVBAGLBSA-N 1 0 328.166 2.225 20 5 EEBDRO C[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227498168 1301853707 /nfs/dbraw/zinc/85/37/07/1301853707.db2.gz LXEGUIGGKRRMTB-JTQLQIEISA-N 1 0 340.292 2.274 20 5 EEBDRO COCC[NH+]1CCC(Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC001228806639 1302458544 /nfs/dbraw/zinc/45/85/44/1302458544.db2.gz PEMCBCIOQRSHQU-UHFFFAOYSA-N 1 0 348.355 2.191 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3C)C[C@H]1[N@@H+]2C ZINC001228922212 1302525743 /nfs/dbraw/zinc/52/57/43/1302525743.db2.gz WRBLRYLANGSYSW-LJIGWXMPSA-N 1 0 334.372 2.449 20 5 EEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000782757609 1304114088 /nfs/dbraw/zinc/11/40/88/1304114088.db2.gz GYMQGBJVLMBFSR-UHFFFAOYSA-N 1 0 342.783 2.092 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(C)(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001112359592 1304491039 /nfs/dbraw/zinc/49/10/39/1304491039.db2.gz ZQGSICXODXGZTC-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246119963 1310240487 /nfs/dbraw/zinc/24/04/87/1310240487.db2.gz YGBSJBIAOXAUGK-NQBHXWOUSA-N 1 0 325.384 2.261 20 5 EEBDRO COc1cc(N2CCC(N3CC[C@@H](C)[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246570665 1310345680 /nfs/dbraw/zinc/34/56/80/1310345680.db2.gz RZEUIEVIIMUGHY-CJNGLKHVSA-N 1 0 348.447 2.241 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838102655 1315138438 /nfs/dbraw/zinc/13/84/38/1315138438.db2.gz WBTSTDDWUXVJMU-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000841693839 1315599329 /nfs/dbraw/zinc/59/93/29/1315599329.db2.gz WCNRNQBNAGUTOL-FRRDWIJNSA-N 1 0 346.387 2.297 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000842478460 1315713223 /nfs/dbraw/zinc/71/32/23/1315713223.db2.gz JCVLPNCOLQDMDX-QWRGUYRKSA-N 1 0 340.811 2.103 20 5 EEBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC(=O)C1 ZINC000842801133 1315776250 /nfs/dbraw/zinc/77/62/50/1315776250.db2.gz CURJJWYKUHEOSH-CJNGLKHVSA-N 1 0 332.356 2.082 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc(F)c1 ZINC000843104888 1315842980 /nfs/dbraw/zinc/84/29/80/1315842980.db2.gz RBABCXJIZFQYPT-MZPVMMEZSA-N 1 0 334.347 2.479 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000843116863 1315846957 /nfs/dbraw/zinc/84/69/57/1315846957.db2.gz IPFQEDOSYLXHQA-OTWHNJEPSA-N 1 0 342.395 2.384 20 5 EEBDRO CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000843348945 1315896050 /nfs/dbraw/zinc/89/60/50/1315896050.db2.gz ZVJLTHKNEVEDCN-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843353404 1315898306 /nfs/dbraw/zinc/89/83/06/1315898306.db2.gz HLIUXKFNMLNODH-QWRGUYRKSA-N 1 0 340.811 2.246 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000843361397 1315900771 /nfs/dbraw/zinc/90/07/71/1315900771.db2.gz ZMFFYUQWNXJIMV-SFESLNEESA-N 1 0 332.404 2.268 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001153014570 1316759313 /nfs/dbraw/zinc/75/93/13/1316759313.db2.gz DLKMMTXBFQEMPY-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC001249342334 1317057183 /nfs/dbraw/zinc/05/71/83/1317057183.db2.gz LIXOZKGHGBMGCY-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO Cn1ccc2cc(CNc3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)ccc21 ZINC001154806071 1317324659 /nfs/dbraw/zinc/32/46/59/1317324659.db2.gz MQGRDFDMAVMWSQ-UHFFFAOYSA-N 1 0 338.371 2.175 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155268110 1317531994 /nfs/dbraw/zinc/53/19/94/1317531994.db2.gz SGKQEJKTEHINDX-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001155599111 1317668164 /nfs/dbraw/zinc/66/81/64/1317668164.db2.gz RYLRLPHBBSGHAW-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001155823666 1317749147 /nfs/dbraw/zinc/74/91/47/1317749147.db2.gz CNBRUNDGBWRKEL-SMDDNHRTSA-N 1 0 326.784 2.356 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c(Cl)c1 ZINC001155824876 1317749765 /nfs/dbraw/zinc/74/97/65/1317749765.db2.gz WYLMBULHEGXPFA-GXTWGEPZSA-N 1 0 326.784 2.356 20 5 EEBDRO CCc1cc(-n2ccnc2CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156484600 1318033947 /nfs/dbraw/zinc/03/39/47/1318033947.db2.gz RBPDMECQWNUVDE-UHFFFAOYSA-N 1 0 338.371 2.301 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001254531698 1318110585 /nfs/dbraw/zinc/11/05/85/1318110585.db2.gz HDEICUOFJSQSLL-CJNGLKHVSA-N 1 0 327.384 2.212 20 5 EEBDRO Cc1ncc(CO)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC001254537677 1318114407 /nfs/dbraw/zinc/11/44/07/1318114407.db2.gz FYRRYMDTHCXZSZ-NSHDSACASA-N 1 0 331.372 2.217 20 5 EEBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC001254587327 1318134682 /nfs/dbraw/zinc/13/46/82/1318134682.db2.gz WGPNJTZNALBUBB-OAHLLOKOSA-N 1 0 329.331 2.429 20 5 EEBDRO O=C(NCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254588840 1318136564 /nfs/dbraw/zinc/13/65/64/1318136564.db2.gz IXHGGZSXFUXOIL-ZDUSSCGKSA-N 1 0 331.397 2.143 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001157987181 1318959924 /nfs/dbraw/zinc/95/99/24/1318959924.db2.gz SNKNIEOOBIYIRC-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158309513 1319164398 /nfs/dbraw/zinc/16/43/98/1319164398.db2.gz MCOMKNOPXQFFNY-OAHLLOKOSA-N 1 0 342.399 2.444 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1ccc([C@@H](C)[NH3+])n1 ZINC001158347955 1319189891 /nfs/dbraw/zinc/18/98/91/1319189891.db2.gz ASKQSMOJXQYEID-SSDOTTSWSA-N 1 0 339.739 2.025 20 5 EEBDRO CC[C@]([NH3+])(CO)Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001159747864 1319978182 /nfs/dbraw/zinc/97/81/82/1319978182.db2.gz IEYFLGURSVJKCL-CQSZACIVSA-N 1 0 337.767 2.174 20 5 EEBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc3cccc(C[NH3+])c32)n1 ZINC001160459528 1320167361 /nfs/dbraw/zinc/16/73/61/1320167361.db2.gz RGAZUUJHCCVVNA-UHFFFAOYSA-N 1 0 340.343 2.054 20 5 EEBDRO CN(C)/C=C/c1cc(-n2c(C[NH3+])cc3ccncc32)ncc1[N+](=O)[O-] ZINC001160961869 1320334393 /nfs/dbraw/zinc/33/43/93/1320334393.db2.gz FPCKWEUBUZQXJI-GQCTYLIASA-N 1 0 338.371 2.320 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001161364594 1320475722 /nfs/dbraw/zinc/47/57/22/1320475722.db2.gz SSTHTSPUYRBTRU-XYPYZODXSA-N 1 0 332.339 2.327 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001162586187 1320905155 /nfs/dbraw/zinc/90/51/55/1320905155.db2.gz COMRRUKWYXPGJW-OAHLLOKOSA-N 1 0 325.340 2.275 20 5 EEBDRO COc1nc(C)nc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001162759030 1320951760 /nfs/dbraw/zinc/95/17/60/1320951760.db2.gz NUMKALRSXQEIBY-QMMMGPOBSA-N 1 0 328.332 2.060 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCc3c2c(F)ccc3F)nc1C1C[NH2+]C1 ZINC001162939575 1320992104 /nfs/dbraw/zinc/99/21/04/1320992104.db2.gz YOISZOWWGKLYEK-GFCCVEGCSA-N 1 0 347.325 2.449 20 5 EEBDRO COc1ccnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163049398 1321023264 /nfs/dbraw/zinc/02/32/64/1321023264.db2.gz GGOOQZDCKOVEBY-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163159666 1321054311 /nfs/dbraw/zinc/05/43/11/1321054311.db2.gz LYIMEYJGWCAPPQ-HSMVNMDESA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163312920 1321094777 /nfs/dbraw/zinc/09/47/77/1321094777.db2.gz WMXHIVFMMGGPMC-QLJPJBMISA-N 1 0 347.350 2.000 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001163367002 1321106121 /nfs/dbraw/zinc/10/61/21/1321106121.db2.gz XNDSRKQNEWPLDY-GHMZBOCLSA-N 1 0 328.800 2.412 20 5 EEBDRO COc1ccc([N+](=O)[O-])nc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163910544 1321246157 /nfs/dbraw/zinc/24/61/57/1321246157.db2.gz ZSELVCGVJZFQEJ-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165185573 1321468879 /nfs/dbraw/zinc/46/88/79/1321468879.db2.gz ZIHWNOKUDOUTJZ-SDBXPKJASA-N 1 0 343.840 2.148 20 5 EEBDRO COC(=O)C1(Nc2cc3cccnc3c3ncccc23)CC[NH2+]CC1 ZINC001166969242 1321828175 /nfs/dbraw/zinc/82/81/75/1321828175.db2.gz VFZBOZMTCIYQJP-UHFFFAOYSA-N 1 0 336.395 2.490 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001205224367 1322320090 /nfs/dbraw/zinc/32/00/90/1322320090.db2.gz QLHBYSVIGKIUMK-DSCOKBBTSA-N 1 0 343.427 2.193 20 5 EEBDRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262557488 1322322633 /nfs/dbraw/zinc/32/26/33/1322322633.db2.gz CWQOYYCAOWFEKA-INIZCTEOSA-N 1 0 349.431 2.255 20 5 EEBDRO CC(C)=CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872420 1331551971 /nfs/dbraw/zinc/55/19/71/1331551971.db2.gz QYZVIKKMDPAHAD-UHFFFAOYSA-N 1 0 341.433 2.161 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001310517703 1331694289 /nfs/dbraw/zinc/69/42/89/1331694289.db2.gz ACDXADKSGUMZDJ-CQSZACIVSA-N 1 0 349.435 2.496 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(F)c1 ZINC001320619280 1332922423 /nfs/dbraw/zinc/92/24/23/1332922423.db2.gz SSGHKKGCMTWOBG-CABZTGNLSA-N 1 0 342.758 2.296 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC(CO)CC1 ZINC001320637166 1332926195 /nfs/dbraw/zinc/92/61/95/1332926195.db2.gz LWOMATZAKYEWIR-RVDMUPIBSA-N 1 0 333.432 2.292 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609075839 1351832397 /nfs/dbraw/zinc/83/23/97/1351832397.db2.gz LFXMRKHRBMWSHJ-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC001327151188 1334235142 /nfs/dbraw/zinc/23/51/42/1334235142.db2.gz PFPRANYTAUCVAG-WBMJQRKESA-N 1 0 327.388 2.184 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001328476539 1334465009 /nfs/dbraw/zinc/46/50/09/1334465009.db2.gz BBPJXHMLVZMAGB-VIFPVBQESA-N 1 0 331.825 2.455 20 5 EEBDRO Cc1cc(NCCC[N@@H+](C)C(C)C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409593 1351965261 /nfs/dbraw/zinc/96/52/61/1351965261.db2.gz PKHXIZLXPHPTMZ-UHFFFAOYSA-N 1 0 333.396 2.226 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC001333502966 1336059907 /nfs/dbraw/zinc/05/99/07/1336059907.db2.gz SSWCAWCOMQMJTR-CHWSQXEVSA-N 1 0 342.396 2.243 20 5 EEBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001335444701 1336376440 /nfs/dbraw/zinc/37/64/40/1336376440.db2.gz NYQKUHSUXVUECW-IAGOWNOFSA-N 1 0 334.347 2.265 20 5 EEBDRO C[C@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001336794996 1336596420 /nfs/dbraw/zinc/59/64/20/1336596420.db2.gz QESIZHDHQINWEO-IRXDYDNUSA-N 1 0 334.347 2.265 20 5 EEBDRO CC[NH+](CC)CC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC001338302238 1336836191 /nfs/dbraw/zinc/83/61/91/1336836191.db2.gz RGHZKHGUZRGGTA-GFCCVEGCSA-N 1 0 349.435 2.318 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340122899 1337125485 /nfs/dbraw/zinc/12/54/85/1337125485.db2.gz GRAONIHDKRUGGY-UHFFFAOYSA-N 1 0 348.407 2.387 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC001341873176 1337303723 /nfs/dbraw/zinc/30/37/23/1337303723.db2.gz RNPFZODURXGGLJ-HNNXBMFYSA-N 1 0 349.434 2.352 20 5 EEBDRO CN(CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100347188 1338290417 /nfs/dbraw/zinc/29/04/17/1338290417.db2.gz YYVZBXSARNICOC-UHFFFAOYSA-N 1 0 336.436 2.125 20 5 EEBDRO CN(CCNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC001100391982 1338339371 /nfs/dbraw/zinc/33/93/71/1338339371.db2.gz MYCVZAKYULVMPG-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266265 1338475768 /nfs/dbraw/zinc/47/57/68/1338475768.db2.gz JEEUNPSJGFFSHW-GUYCJALGSA-N 1 0 343.431 2.498 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@@H]1C ZINC000848485761 1338707301 /nfs/dbraw/zinc/70/73/01/1338707301.db2.gz WJDRADVDLJNWDG-OCCSQVGLSA-N 1 0 344.371 2.299 20 5 EEBDRO COc1ccc(CCNC(=[NH2+])NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000849017885 1338824172 /nfs/dbraw/zinc/82/41/72/1338824172.db2.gz LOFDNCMXWUTLMS-UHFFFAOYSA-N 1 0 328.372 2.460 20 5 EEBDRO CC[NH2+][C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001577890547 1344210425 /nfs/dbraw/zinc/21/04/25/1344210425.db2.gz KBHXSWPECAQWPN-CYBMUJFWSA-N 1 0 344.419 2.452 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001578497173 1344285306 /nfs/dbraw/zinc/28/53/06/1344285306.db2.gz LNBHAXKQMVNWRB-UHFFFAOYSA-N 1 0 344.371 2.322 20 5 EEBDRO COC(=O)Cc1ccc(NCc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001578820987 1344306625 /nfs/dbraw/zinc/30/66/25/1344306625.db2.gz RYPICNOOGOOCPW-UHFFFAOYSA-N 1 0 329.356 2.381 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC001578852934 1344308638 /nfs/dbraw/zinc/30/86/38/1344308638.db2.gz GOGCQMWXIZLARC-NSHDSACASA-N 1 0 334.376 2.171 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1CC[NH3+] ZINC001579242549 1344357814 /nfs/dbraw/zinc/35/78/14/1344357814.db2.gz RWXRDATXEBGHHA-UHFFFAOYSA-N 1 0 329.356 2.035 20 5 EEBDRO [NH3+][C@@H]1CCSC2(CC(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001580198692 1344488351 /nfs/dbraw/zinc/48/83/51/1344488351.db2.gz FXRLVAUSKZXEOC-MFOWVQHXSA-N 1 0 335.429 2.214 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604679870 1350983529 /nfs/dbraw/zinc/98/35/29/1350983529.db2.gz OGOGRTPLJDVPFJ-KBPBESRZSA-N 1 0 331.380 2.060 20 5 EEBDRO C[NH+](C)CCC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110610093 1369201507 /nfs/dbraw/zinc/20/15/07/1369201507.db2.gz MWRLETCWGLXNNR-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1noc(CON=C(N)C[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000853699822 1369369500 /nfs/dbraw/zinc/36/95/00/1369369500.db2.gz PABQPGXLPTUTQL-NXEZZACHSA-N 1 0 325.369 2.153 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001116039753 1371718517 /nfs/dbraw/zinc/71/85/17/1371718517.db2.gz UGDOWWVBPLSICX-GXTWGEPZSA-N 1 0 341.433 2.054 20 5 EEBDRO O=C(CSCC1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830470323 1372329213 /nfs/dbraw/zinc/32/92/13/1372329213.db2.gz NKQKJVIHNRBMCP-UHFFFAOYSA-N 1 0 327.381 2.405 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001576468662 1403575572 /nfs/dbraw/zinc/57/55/72/1403575572.db2.gz BHCHKNORMAJKQI-HNNXBMFYSA-N 1 0 347.419 2.419 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001576881379 1403615375 /nfs/dbraw/zinc/61/53/75/1403615375.db2.gz UDSPJIYNQLPVEO-VWYCJHECSA-N 1 0 327.331 2.284 20 5 EEBDRO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@H]1CC12CC[NH2+]CC2 ZINC001580794045 1403870385 /nfs/dbraw/zinc/87/03/85/1403870385.db2.gz QFOQLIRFPDGHCY-CYBMUJFWSA-N 1 0 341.371 2.313 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000246565534 1405715346 /nfs/dbraw/zinc/71/53/46/1405715346.db2.gz HMMANHFWVDSXGX-BBRMVZONSA-N 1 0 333.388 2.343 20 5 EEBDRO COc1cc2ncnc(N3CCC(C[NH+](C)C)CC3)c2cc1[N+](=O)[O-] ZINC001165042500 721945809 /nfs/dbraw/zinc/94/58/09/721945809.db2.gz UGNVRMXUCAIMNC-UHFFFAOYSA-N 1 0 345.403 2.325 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1cc(C)ccc1[N+](=O)[O-] ZINC001100576652 760307670 /nfs/dbraw/zinc/30/76/70/760307670.db2.gz MUDUIVDANFEPSF-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000843751983 781343747 /nfs/dbraw/zinc/34/37/47/781343747.db2.gz GOSICGYHTLEUTK-UHFFFAOYSA-N 1 0 344.346 2.400 20 5 EEBDRO [NH3+]CCc1cn(-c2cccc3ncc([N+](=O)[O-])n32)c2ccc(O)cc12 ZINC001167987420 781395111 /nfs/dbraw/zinc/39/51/11/781395111.db2.gz MTQNKJBJPZVAFD-UHFFFAOYSA-N 1 0 337.339 2.393 20 5 EEBDRO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091503114 790994220 /nfs/dbraw/zinc/99/42/20/790994220.db2.gz NLWNEOMZKOHNMZ-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001091512497 791029683 /nfs/dbraw/zinc/02/96/83/791029683.db2.gz XETCEAUAYHURNA-HDJSIYSDSA-N 1 0 334.420 2.162 20 5 EEBDRO C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000818008805 785162647 /nfs/dbraw/zinc/16/26/47/785162647.db2.gz JBYNZMLBTLLRRT-ONGXEEELSA-N 1 0 343.786 2.373 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819045449 785374281 /nfs/dbraw/zinc/37/42/81/785374281.db2.gz CJKJMVAABRSZMA-MRXNPFEDSA-N 1 0 347.327 2.205 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000819171624 785446217 /nfs/dbraw/zinc/44/62/17/785446217.db2.gz KOHCWYPNDKWAMA-JKSUJKDBSA-N 1 0 344.367 2.448 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)cc1 ZINC000819299078 785491506 /nfs/dbraw/zinc/49/15/06/785491506.db2.gz SFPULZZGFOCSBO-CYBMUJFWSA-N 1 0 339.298 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000820582070 785985235 /nfs/dbraw/zinc/98/52/35/785985235.db2.gz XCBIPEPOOKSNEY-INIZCTEOSA-N 1 0 337.445 2.379 20 5 EEBDRO O=C(c1ccns1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996637236 786907639 /nfs/dbraw/zinc/90/76/39/786907639.db2.gz CRAULYVOJLFAPR-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001107471250 787331378 /nfs/dbraw/zinc/33/13/78/787331378.db2.gz QRFGLGHXISDLLP-SNAWJCMRSA-N 1 0 346.431 2.329 20 5 EEBDRO COc1cc(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000822861755 787441214 /nfs/dbraw/zinc/44/12/14/787441214.db2.gz FTCPYFVCAJPALY-BDJLRTHQSA-N 1 0 330.344 2.044 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147006 787565762 /nfs/dbraw/zinc/56/57/62/787565762.db2.gz SREZTIGFQYNDDV-FXAINCCUSA-N 1 0 346.343 2.009 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001107564773 787664297 /nfs/dbraw/zinc/66/42/97/787664297.db2.gz GGMKBVFGONJPSB-ONEGZZNKSA-N 1 0 346.431 2.472 20 5 EEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000911704338 787666058 /nfs/dbraw/zinc/66/60/58/787666058.db2.gz SAQGITXQDJTVTM-LLVKDONJSA-N 1 0 325.796 2.297 20 5 EEBDRO Cc1nn(CN2CC[NH+](CCc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000028812479 787998409 /nfs/dbraw/zinc/99/84/09/787998409.db2.gz WPSXROJQTMXVGA-UHFFFAOYSA-N 1 0 343.431 2.226 20 5 EEBDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824008642 787998645 /nfs/dbraw/zinc/99/86/45/787998645.db2.gz RYEVLKIEBZDJFF-UHFFFAOYSA-N 1 0 335.408 2.421 20 5 EEBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824708957 788282774 /nfs/dbraw/zinc/28/27/74/788282774.db2.gz LOPHGJOZVHDFMH-KBXCAEBGSA-N 1 0 349.431 2.205 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825111825 788442179 /nfs/dbraw/zinc/44/21/79/788442179.db2.gz PZRODKXCNHNCEU-RHSMWYFYSA-N 1 0 349.431 2.257 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000845668439 789914254 /nfs/dbraw/zinc/91/42/54/789914254.db2.gz LUJRPEXCBUAPCJ-NSHDSACASA-N 1 0 336.344 2.007 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001171301054 791766373 /nfs/dbraw/zinc/76/63/73/791766373.db2.gz GPCBXDWJFATAJB-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001093166601 794799301 /nfs/dbraw/zinc/79/93/01/794799301.db2.gz OASWGEULYCQISG-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO O=C1NCC[C@]12CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172905755 797132129 /nfs/dbraw/zinc/13/21/29/797132129.db2.gz UCTWQHDQTHLAFI-CRAIPNDOSA-N 1 0 329.400 2.054 20 5 EEBDRO NC(=O)c1cncc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172907983 797133135 /nfs/dbraw/zinc/13/31/35/797133135.db2.gz VVRFLFKLBHKBSG-MRXNPFEDSA-N 1 0 340.383 2.126 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCCCO2)c1F ZINC001173176146 797277392 /nfs/dbraw/zinc/27/73/92/797277392.db2.gz YQTIPHYITJVORX-LBPRGKRZSA-N 1 0 341.383 2.291 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](CO)[C@H]2C)c1F ZINC001173180087 797278534 /nfs/dbraw/zinc/27/85/34/797278534.db2.gz IIBAXCFQKJYNTG-TUAOUCFPSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)c2ccncc2)c1F ZINC001173182679 797280590 /nfs/dbraw/zinc/28/05/90/797280590.db2.gz JTMATQOVDHIJCR-SMDDNHRTSA-N 1 0 349.362 2.392 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001173219359 797300292 /nfs/dbraw/zinc/30/02/92/797300292.db2.gz BMDHSKDHWPOLPA-CYBMUJFWSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001173231499 797312547 /nfs/dbraw/zinc/31/25/47/797312547.db2.gz LTQSIWFVMKBSFQ-HNNXBMFYSA-N 1 0 335.448 2.304 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(OC(F)F)c1 ZINC000785802538 806605087 /nfs/dbraw/zinc/60/50/87/806605087.db2.gz VRROXYLROFBVSY-NWDGAFQWSA-N 1 0 343.330 2.471 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110227941 799756449 /nfs/dbraw/zinc/75/64/49/799756449.db2.gz TTXLXWZCYOTKRW-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)CN1CCOCC1 ZINC000922588894 801419253 /nfs/dbraw/zinc/41/92/53/801419253.db2.gz DHOABJWJZCUQHR-HNNXBMFYSA-N 1 0 337.420 2.194 20 5 EEBDRO CCC(=O)NCCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001112640765 806911996 /nfs/dbraw/zinc/91/19/96/806911996.db2.gz ZEZWUOWLFQVDIV-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001086363148 802829761 /nfs/dbraw/zinc/82/97/61/802829761.db2.gz DVBVUNICQUPWMR-YFHUEUNASA-N 1 0 345.443 2.261 20 5 EEBDRO CC(C)(C)C(=O)CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991926 803559653 /nfs/dbraw/zinc/55/96/53/803559653.db2.gz IHWRAKHZPXENKG-ZFWWWQNUSA-N 1 0 325.453 2.101 20 5 EEBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168993569 803561384 /nfs/dbraw/zinc/56/13/84/803561384.db2.gz NHAGQQOSTNKLAL-OLZOCXBDSA-N 1 0 327.425 2.469 20 5 EEBDRO O=C1Nc2ccccc2C12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169011305 803570910 /nfs/dbraw/zinc/57/09/10/803570910.db2.gz JPQWFWLRYVKSNL-UONOGXRCSA-N 1 0 329.400 2.418 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169018030 803586377 /nfs/dbraw/zinc/58/63/77/803586377.db2.gz BIOFWDBLZKTWDB-ZIAGYGMSSA-N 1 0 327.425 2.375 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)C1 ZINC001169024913 803590444 /nfs/dbraw/zinc/59/04/44/803590444.db2.gz HSVWNGIMHJEFHW-HUUCEWRRSA-N 1 0 336.436 2.096 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)C1 ZINC001169025894 803591740 /nfs/dbraw/zinc/59/17/40/803591740.db2.gz ZTVBDAMTLMNOJE-ZACQAIPSSA-N 1 0 338.448 2.482 20 5 EEBDRO COC[C@@H]1COCCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026440 803592185 /nfs/dbraw/zinc/59/21/85/803592185.db2.gz XCLGRYCBEPQFJR-XHSDSOJGSA-N 1 0 326.437 2.197 20 5 EEBDRO CCC1(NC(=O)OC(C)(C)C)C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047852 803593602 /nfs/dbraw/zinc/59/36/02/803593602.db2.gz RWPZYXQZEHLSKP-OLZOCXBDSA-N 1 0 327.425 2.421 20 5 EEBDRO Cc1cc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc(C)n1 ZINC001169048629 803594728 /nfs/dbraw/zinc/59/47/28/803594728.db2.gz AGBYMBCWANCZLN-GOEBONIOSA-N 1 0 333.436 2.097 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169057877 803598459 /nfs/dbraw/zinc/59/84/59/803598459.db2.gz YNQKHLSZLPKPLN-MWQQHZPXSA-N 1 0 332.400 2.320 20 5 EEBDRO CCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001169489242 803811739 /nfs/dbraw/zinc/81/17/39/803811739.db2.gz ONVIMNIARWLFCR-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO [NH3+]Cc1ccc2c(n1)N(c1ncc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001169590886 803863143 /nfs/dbraw/zinc/86/31/43/803863143.db2.gz QZSASUPCAFYIRY-UHFFFAOYSA-N 1 0 336.355 2.476 20 5 EEBDRO COc1nc(C)c(N2CCCc3ccc(C[NH3+])nc32)cc1[N+](=O)[O-] ZINC001169591931 803864430 /nfs/dbraw/zinc/86/44/30/803864430.db2.gz DFKGSVJUZVVSML-UHFFFAOYSA-N 1 0 329.360 2.245 20 5 EEBDRO CC(C)[C@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](C)C ZINC000787962075 807317843 /nfs/dbraw/zinc/31/78/43/807317843.db2.gz NSKCCAWSAZUZQI-CQSZACIVSA-N 1 0 348.359 2.274 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788914654 807757755 /nfs/dbraw/zinc/75/77/55/807757755.db2.gz ZRDAFQLRZXFNDG-WDEREUQCSA-N 1 0 347.462 2.055 20 5 EEBDRO Cc1c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000790541522 808810275 /nfs/dbraw/zinc/81/02/75/808810275.db2.gz FAXRACYGTOBTRF-LLVKDONJSA-N 1 0 331.294 2.156 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170312722 809886536 /nfs/dbraw/zinc/88/65/36/809886536.db2.gz HHLJXXMMWMGJIH-LRDDRELGSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170326832 809891665 /nfs/dbraw/zinc/89/16/65/809891665.db2.gz OJEQUPHTWIWADO-SJKOYZFVSA-N 1 0 343.383 2.351 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)C1 ZINC000793766436 810503460 /nfs/dbraw/zinc/50/34/60/810503460.db2.gz LBDBCYRKLBYTKL-SFHVURJKSA-N 1 0 341.415 2.443 20 5 EEBDRO CC(C)(C)c1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001130732236 811978802 /nfs/dbraw/zinc/97/88/02/811978802.db2.gz GKWBQYGKDKGHPH-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO Cc1noc(C2CC2)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131440932 812832312 /nfs/dbraw/zinc/83/23/12/812832312.db2.gz DFLMSLOXVCWYSX-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO C[C@@H](COC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001519998001 1119119643 /nfs/dbraw/zinc/11/96/43/1119119643.db2.gz DRHJKSFRJMALME-CQSZACIVSA-N 1 0 336.388 2.039 20 5 EEBDRO C[NH+](C)CCCC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342545826 282083383 /nfs/dbraw/zinc/08/33/83/282083383.db2.gz OQNFKZJYWDTPIT-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC(C)(C)C ZINC000056196663 214364839 /nfs/dbraw/zinc/36/48/39/214364839.db2.gz DVRRWBKXVWLSOY-GHMZBOCLSA-N 1 0 336.392 2.258 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174875609 231331225 /nfs/dbraw/zinc/33/12/25/231331225.db2.gz CVDQWFQYHFRCJJ-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430250 282210567 /nfs/dbraw/zinc/21/05/67/282210567.db2.gz RWKMPJBFQNOYDC-DJIMGWMZSA-N 1 0 337.395 2.417 20 5 EEBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447541490 282261627 /nfs/dbraw/zinc/26/16/27/282261627.db2.gz MQCOTQURUZEYJL-CABCVRRESA-N 1 0 332.408 2.415 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178072475 232074153 /nfs/dbraw/zinc/07/41/53/232074153.db2.gz RYBJOGWMRQOJBE-ZDUSSCGKSA-N 1 0 343.449 2.225 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000178691392 232381501 /nfs/dbraw/zinc/38/15/01/232381501.db2.gz YWXYDCOOOCHPQC-VXGBXAGGSA-N 1 0 329.360 2.371 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000066533606 215051111 /nfs/dbraw/zinc/05/11/11/215051111.db2.gz XWIOHCGWBLHGAP-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000181412126 234177653 /nfs/dbraw/zinc/17/76/53/234177653.db2.gz AQKGUABLTGMQTR-CYBMUJFWSA-N 1 0 326.303 2.047 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000040513534 213330896 /nfs/dbraw/zinc/33/08/96/213330896.db2.gz YGBZNTOZQOFFJG-MRXNPFEDSA-N 1 0 348.403 2.313 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000189729068 237192830 /nfs/dbraw/zinc/19/28/30/237192830.db2.gz MVWHSILHLIFLKB-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451416859 243106479 /nfs/dbraw/zinc/10/64/79/243106479.db2.gz KVIJTQIVFOPCHK-UAGQMJEPSA-N 1 0 347.415 2.467 20 5 EEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCC[C@H]1O ZINC000245554277 243125334 /nfs/dbraw/zinc/12/53/34/243125334.db2.gz SBTXIIIRZABJKC-MLGOLLRUSA-N 1 0 336.388 2.444 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451699571 243213291 /nfs/dbraw/zinc/21/32/91/243213291.db2.gz VTQLKCYJLNBPLB-CKEIUWERSA-N 1 0 347.415 2.406 20 5 EEBDRO COc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459539531 245159741 /nfs/dbraw/zinc/15/97/41/245159741.db2.gz UDHHHHOHLBYOFV-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000110490837 220039254 /nfs/dbraw/zinc/03/92/54/220039254.db2.gz HAVUSPWFXBZIOP-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491533252 246062414 /nfs/dbraw/zinc/06/24/14/246062414.db2.gz OMNCNUFLFXHCKG-PYUISTEWSA-N 1 0 347.415 2.177 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000264233213 246217980 /nfs/dbraw/zinc/21/79/80/246217980.db2.gz YJOQZIZVDUPTFK-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493346069 246671258 /nfs/dbraw/zinc/67/12/58/246671258.db2.gz AWTGMRSHWCMQJI-FLELRFNZSA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000269226104 255548426 /nfs/dbraw/zinc/54/84/26/255548426.db2.gz UGKRRRPOCFOLNY-PRHODGIISA-N 1 0 342.193 2.167 20 5 EEBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270419607 256133569 /nfs/dbraw/zinc/13/35/69/256133569.db2.gz GIWUSFGTNLLWMC-SJCJKPOMSA-N 1 0 349.387 2.245 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270373432 256128302 /nfs/dbraw/zinc/12/83/02/256128302.db2.gz NHSUZTZFJGENMG-DIFFPNOSSA-N 1 0 342.399 2.218 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000270736331 256166199 /nfs/dbraw/zinc/16/61/99/256166199.db2.gz KLAKHTMHMWFERE-OLZOCXBDSA-N 1 0 343.836 2.366 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1[NH+](C)C ZINC000271122445 256210468 /nfs/dbraw/zinc/21/04/68/256210468.db2.gz LAIFHQNAIMXQSZ-KBPBESRZSA-N 1 0 348.428 2.194 20 5 EEBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000270857320 256179951 /nfs/dbraw/zinc/17/99/51/256179951.db2.gz HSPVKFURXAHWBS-MISXGVKJSA-N 1 0 332.360 2.409 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000273272006 256282741 /nfs/dbraw/zinc/28/27/41/256282741.db2.gz GPXWJDWHLZEUIJ-VXGBXAGGSA-N 1 0 331.376 2.315 20 5 EEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc([N+](=O)[O-])cn1 ZINC000273707962 256320040 /nfs/dbraw/zinc/32/00/40/256320040.db2.gz DWZNYROYRKJBNZ-UHFFFAOYSA-N 1 0 335.330 2.485 20 5 EEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000273914899 256338094 /nfs/dbraw/zinc/33/80/94/256338094.db2.gz IZWDDNOLPSEWBS-UHFFFAOYSA-N 1 0 332.360 2.225 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1C ZINC000261848301 291991935 /nfs/dbraw/zinc/99/19/35/291991935.db2.gz ZRLGZNXJCBPSQJ-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159816517 143802932 /nfs/dbraw/zinc/80/29/32/143802932.db2.gz URPVHOZUQYEVKQ-UPJWGTAASA-N 1 0 335.429 2.428 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000113229997 292229560 /nfs/dbraw/zinc/22/95/60/292229560.db2.gz GLFXIYLWWJSOOH-QKOWSDGPSA-N 1 0 333.363 2.442 20 5 EEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000172597143 152097997 /nfs/dbraw/zinc/09/79/97/152097997.db2.gz JNBSTORWMURVEU-UHFFFAOYSA-N 1 0 348.384 2.069 20 5 EEBDRO C[NH2+]CCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000121028271 292260394 /nfs/dbraw/zinc/26/03/94/292260394.db2.gz XKDBKLSITFSOLO-CYBMUJFWSA-N 1 0 334.420 2.170 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054510010 158962945 /nfs/dbraw/zinc/96/29/45/158962945.db2.gz NTCFNIWFKKABPY-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000081364072 159151348 /nfs/dbraw/zinc/15/13/48/159151348.db2.gz STOWFBDVORWCTC-GFCCVEGCSA-N 1 0 345.403 2.275 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185503014 160039312 /nfs/dbraw/zinc/03/93/12/160039312.db2.gz UNJOBKAJFVCTMJ-UHFFFAOYSA-N 1 0 337.424 2.012 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188484260 160124556 /nfs/dbraw/zinc/12/45/56/160124556.db2.gz USZSCKOYPXAMTN-PXAZEXFGSA-N 1 0 344.415 2.266 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000342272582 161052756 /nfs/dbraw/zinc/05/27/56/161052756.db2.gz TWMXWLMTZSZSMN-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1[N+](=O)[O-] ZINC000342428286 161064652 /nfs/dbraw/zinc/06/46/52/161064652.db2.gz FYZLBUPDQJPCCM-BZUAXINKSA-N 1 0 347.415 2.340 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000345894640 161340166 /nfs/dbraw/zinc/34/01/66/161340166.db2.gz WMGFFALWPJWYLQ-GJZGRUSLSA-N 1 0 342.399 2.293 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000345974133 161346854 /nfs/dbraw/zinc/34/68/54/161346854.db2.gz XRJIAGGZALTGIK-WDEREUQCSA-N 1 0 331.376 2.026 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000346327859 161363578 /nfs/dbraw/zinc/36/35/78/161363578.db2.gz IRNOIJYWMPOLFB-XJKCOSOUSA-N 1 0 334.420 2.384 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000349212401 161532837 /nfs/dbraw/zinc/53/28/37/161532837.db2.gz AIIIOFGVVKRWAT-CYBMUJFWSA-N 1 0 341.433 2.229 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000352855901 162314878 /nfs/dbraw/zinc/31/48/78/162314878.db2.gz DDDDDRUOZDYPNN-UHFFFAOYSA-N 1 0 339.395 2.480 20 5 EEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000367814670 166006532 /nfs/dbraw/zinc/00/65/32/166006532.db2.gz CGEQUZPZKIFHEX-GUYCJALGSA-N 1 0 334.372 2.379 20 5 EEBDRO COc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000356248717 163379655 /nfs/dbraw/zinc/37/96/55/163379655.db2.gz DXFVLNHYUGLHQG-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000358915165 164015182 /nfs/dbraw/zinc/01/51/82/164015182.db2.gz NUNZEYUNESTAOL-NXEZZACHSA-N 1 0 329.784 2.130 20 5 EEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](CCO)CC1 ZINC000360003080 164212893 /nfs/dbraw/zinc/21/28/93/164212893.db2.gz HIBYJAXKGLZEIA-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000360618259 164353119 /nfs/dbraw/zinc/35/31/19/164353119.db2.gz HQJHWEIQPJNING-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO CCOc1cc(N2CC[NH+](CC3(O)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000360739558 164371964 /nfs/dbraw/zinc/37/19/64/164371964.db2.gz SJTHLCITROQULT-UHFFFAOYSA-N 1 0 349.431 2.421 20 5 EEBDRO C[C@H]1COCCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361109552 164428539 /nfs/dbraw/zinc/42/85/39/164428539.db2.gz FMLUHHIIEVLVMK-WMLDXEAASA-N 1 0 333.432 2.226 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000371253927 166565202 /nfs/dbraw/zinc/56/52/02/166565202.db2.gz POXBFJHMMSGQEA-VQFNDLOPSA-N 1 0 337.379 2.455 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000377512165 167480348 /nfs/dbraw/zinc/48/03/48/167480348.db2.gz QFEUDQSYUNXNEP-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272670518 269006410 /nfs/dbraw/zinc/00/64/10/269006410.db2.gz SZJYTISOTHQRMD-WMLDXEAASA-N 1 0 346.431 2.340 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272674314 269006718 /nfs/dbraw/zinc/00/67/18/269006718.db2.gz UKDWBHQHQZZZDM-ABAIWWIYSA-N 1 0 337.807 2.343 20 5 EEBDRO Cc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000274822530 269059176 /nfs/dbraw/zinc/05/91/76/269059176.db2.gz OZUDFZBONUQNJF-HNNXBMFYSA-N 1 0 338.433 2.462 20 5 EEBDRO CC[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](CC)CC ZINC000277871870 269193000 /nfs/dbraw/zinc/19/30/00/269193000.db2.gz DQNHFBOWHXVIJV-AWEZNQCLSA-N 1 0 333.392 2.208 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131283073 273975710 /nfs/dbraw/zinc/97/57/10/273975710.db2.gz OZJDVHRMYZTKAM-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO COC(=O)C(C)(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000338544085 273976336 /nfs/dbraw/zinc/97/63/36/273976336.db2.gz JGKCKJRVABUYEM-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@]1(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000271184988 274122509 /nfs/dbraw/zinc/12/25/09/274122509.db2.gz IXMNOOSGCPSUMA-QGZVFWFLSA-N 1 0 335.404 2.185 20 5 EEBDRO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275841566 274267845 /nfs/dbraw/zinc/26/78/45/274267845.db2.gz UXIZBFSJZBCCRY-UHFFFAOYSA-N 1 0 349.412 2.500 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+]2CCCC2)cc1 ZINC000285111440 274680006 /nfs/dbraw/zinc/68/00/06/274680006.db2.gz HXDCAWWBHSOWKT-HNNXBMFYSA-N 1 0 343.387 2.193 20 5 EEBDRO CC(C)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000285956846 274820816 /nfs/dbraw/zinc/82/08/16/274820816.db2.gz ADIPEZYYLFESST-UHFFFAOYSA-N 1 0 331.376 2.022 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285973409 274822991 /nfs/dbraw/zinc/82/29/91/274822991.db2.gz NQTOOAWYKCUNJL-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582891 275072483 /nfs/dbraw/zinc/07/24/83/275072483.db2.gz XOWRMMNVTBARAK-WCQYABFASA-N 1 0 343.387 2.170 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000289262789 275106575 /nfs/dbraw/zinc/10/65/75/275106575.db2.gz DGDBGFQOXITEJR-OAHLLOKOSA-N 1 0 340.383 2.468 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000289479175 275119769 /nfs/dbraw/zinc/11/97/69/275119769.db2.gz RNSGCTVPQFCBDY-UHFFFAOYSA-N 1 0 344.406 2.188 20 5 EEBDRO CCc1nn(C)c(CC)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289717979 275142364 /nfs/dbraw/zinc/14/23/64/275142364.db2.gz HBLXOBOXBQJGEK-UHFFFAOYSA-N 1 0 331.420 2.418 20 5 EEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289823077 275152060 /nfs/dbraw/zinc/15/20/60/275152060.db2.gz AVHGWVHYWCXNQF-CMPLNLGQSA-N 1 0 331.397 2.491 20 5 EEBDRO CCC(CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000290538336 275216480 /nfs/dbraw/zinc/21/64/80/275216480.db2.gz OZYOUHIEWXHKQT-CQSZACIVSA-N 1 0 349.435 2.401 20 5 EEBDRO CC[N@H+](CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000338833142 276127297 /nfs/dbraw/zinc/12/72/97/276127297.db2.gz ZBAVRQISOFCUQG-UHFFFAOYSA-N 1 0 338.408 2.133 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000077389527 276131226 /nfs/dbraw/zinc/13/12/26/276131226.db2.gz FUFDVZLJQKGCME-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000078496212 276348561 /nfs/dbraw/zinc/34/85/61/276348561.db2.gz SZPPBMJJCDPUME-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242686 277028292 /nfs/dbraw/zinc/02/82/92/277028292.db2.gz MTYSUGUSPUTTKY-LLVKDONJSA-N 1 0 339.827 2.224 20 5 EEBDRO CNc1nc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455560088 277303501 /nfs/dbraw/zinc/30/35/01/277303501.db2.gz XIYRXZNZNMHGQC-CYBMUJFWSA-N 1 0 347.419 2.122 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000269230170 279646698 /nfs/dbraw/zinc/64/66/98/279646698.db2.gz VINRJHHYVZPODB-ZDUSSCGKSA-N 1 0 349.387 2.003 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC2(C1)CC[NH2+]CC2 ZINC000423496009 280190333 /nfs/dbraw/zinc/19/03/33/280190333.db2.gz VRVGORJTPZSYHR-UHFFFAOYSA-N 1 0 340.383 2.359 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261790223 280356925 /nfs/dbraw/zinc/35/69/25/280356925.db2.gz YUDCHWYKKURTID-LBPRGKRZSA-N 1 0 344.337 2.098 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000357857830 281389224 /nfs/dbraw/zinc/38/92/24/281389224.db2.gz GNEJKVOUQIHGHE-NHYWBVRUSA-N 1 0 331.376 2.048 20 5 EEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000261928335 281417339 /nfs/dbraw/zinc/41/73/39/281417339.db2.gz JHAWTPUJBZISPP-INIZCTEOSA-N 1 0 342.399 2.282 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCC(C)CC1 ZINC000283565761 292965235 /nfs/dbraw/zinc/96/52/35/292965235.db2.gz VGUVXPBMNPONEO-NSHDSACASA-N 1 0 338.383 2.166 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000294940997 293586549 /nfs/dbraw/zinc/58/65/49/293586549.db2.gz XZMAHZSNLGMVME-UHFFFAOYSA-N 1 0 340.445 2.330 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000295211733 293648339 /nfs/dbraw/zinc/64/83/39/293648339.db2.gz LSHXPCSRSUFDBI-UHFFFAOYSA-N 1 0 346.431 2.393 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000296073534 293885365 /nfs/dbraw/zinc/88/53/65/293885365.db2.gz GQPRKUHYIPXUKD-CSMYWGQOSA-N 1 0 345.399 2.471 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000297590300 294287986 /nfs/dbraw/zinc/28/79/86/294287986.db2.gz UCFBECZLNOCXHL-UHFFFAOYSA-N 1 0 333.388 2.031 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000163195395 311382585 /nfs/dbraw/zinc/38/25/85/311382585.db2.gz UVKBTZCSHXATLP-UHFFFAOYSA-N 1 0 349.435 2.052 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000164917788 311390048 /nfs/dbraw/zinc/39/00/48/311390048.db2.gz JDBRAFLSNRMSBT-PBHICJAKSA-N 1 0 349.431 2.437 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ncccc12 ZINC000368531933 312424583 /nfs/dbraw/zinc/42/45/83/312424583.db2.gz ANGNBERZNRYXRH-RDJZCZTQSA-N 1 0 342.399 2.178 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411641614 312556214 /nfs/dbraw/zinc/55/62/14/312556214.db2.gz GMCRXGVYXVBZRJ-LLVKDONJSA-N 1 0 341.383 2.132 20 5 EEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000411891657 312587201 /nfs/dbraw/zinc/58/72/01/312587201.db2.gz HQOGERWKNBZEGX-WBVHZDCISA-N 1 0 341.367 2.096 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411985575 312596053 /nfs/dbraw/zinc/59/60/53/312596053.db2.gz DSVHTGKSUKUUSR-XJKSGUPXSA-N 1 0 338.404 2.259 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414349827 313002038 /nfs/dbraw/zinc/00/20/38/313002038.db2.gz ZLXRKGZLRCGSDF-HNNXBMFYSA-N 1 0 340.445 2.330 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)n2)CCC1 ZINC000414632281 313051802 /nfs/dbraw/zinc/05/18/02/313051802.db2.gz ZXOXSSTZRNEBGN-UHFFFAOYSA-N 1 0 326.316 2.373 20 5 EEBDRO Cc1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414668003 313060123 /nfs/dbraw/zinc/06/01/23/313060123.db2.gz YJKBYRPOZXZAEJ-ZBFHGGJFSA-N 1 0 348.403 2.263 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)C[NH+]1CCCC1)CCCC2 ZINC000417306842 313479377 /nfs/dbraw/zinc/47/93/77/313479377.db2.gz AXYCOTGEPVRIHG-SJLPKXTDSA-N 1 0 333.432 2.409 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238163 313760629 /nfs/dbraw/zinc/76/06/29/313760629.db2.gz WZVJFFMYTORVMF-SPWCGHHHSA-N 1 0 332.404 2.343 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418337067 313786495 /nfs/dbraw/zinc/78/64/95/313786495.db2.gz JCCGOPZMKCBQLP-ZBFHGGJFSA-N 1 0 346.431 2.483 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1C ZINC000420442900 313959997 /nfs/dbraw/zinc/95/99/97/313959997.db2.gz KXQJIHJBECFWOF-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO O=C1[C@H]([N@@H+]2CCC[C@H](CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000421009552 314023365 /nfs/dbraw/zinc/02/33/65/314023365.db2.gz FLXAUVLHCQWUFT-WMLDXEAASA-N 1 0 347.415 2.185 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000421793778 314165378 /nfs/dbraw/zinc/16/53/78/314165378.db2.gz YDURAQBDYPEGJL-UHFFFAOYSA-N 1 0 349.431 2.130 20 5 EEBDRO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430221601 314505228 /nfs/dbraw/zinc/50/52/28/314505228.db2.gz RQUAMMGFXWFOMF-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000431571450 314643019 /nfs/dbraw/zinc/64/30/19/314643019.db2.gz RGCNXXDUFBNAQK-QWHCGFSZSA-N 1 0 337.424 2.257 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255360 315177127 /nfs/dbraw/zinc/17/71/27/315177127.db2.gz KQRJWERUICDCIM-OAUYIBNBSA-N 1 0 337.395 2.417 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000443600533 315251578 /nfs/dbraw/zinc/25/15/78/315251578.db2.gz DNYYYUCUINYXPI-ZDUSSCGKSA-N 1 0 335.408 2.044 20 5 EEBDRO O=C1CCCN1CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525283687 317053061 /nfs/dbraw/zinc/05/30/61/317053061.db2.gz RYBLPWUOCRCICB-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 ZINC000536568361 318001641 /nfs/dbraw/zinc/00/16/41/318001641.db2.gz LCRGTXXMIJHODI-GFCCVEGCSA-N 1 0 328.372 2.357 20 5 EEBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574347 318132819 /nfs/dbraw/zinc/13/28/19/318132819.db2.gz NGAQUCPNOOVJRB-CJNGLKHVSA-N 1 0 348.403 2.463 20 5 EEBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000542964556 318148649 /nfs/dbraw/zinc/14/86/49/318148649.db2.gz RMGBDRCYZPVQPO-LBPRGKRZSA-N 1 0 336.392 2.455 20 5 EEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000554876675 318576824 /nfs/dbraw/zinc/57/68/24/318576824.db2.gz AHYIKQDTOUYBLW-UHFFFAOYSA-N 1 0 349.435 2.291 20 5 EEBDRO COC(C)(C)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558437388 318709938 /nfs/dbraw/zinc/70/99/38/318709938.db2.gz VDSNDZDYISCZKZ-LBPRGKRZSA-N 1 0 344.433 2.162 20 5 EEBDRO C[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1 ZINC000562969052 318951115 /nfs/dbraw/zinc/95/11/15/318951115.db2.gz CZQTVCRWZHPSHL-KRWDZBQOSA-N 1 0 333.388 2.107 20 5 EEBDRO COCc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569266825 319561300 /nfs/dbraw/zinc/56/13/00/319561300.db2.gz MGWORERTAKOKGZ-INIZCTEOSA-N 1 0 346.383 2.271 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2cccc(Cl)c2)c1 ZINC000570444573 319666130 /nfs/dbraw/zinc/66/61/30/319666130.db2.gz RZESLMLDDRFZPO-HNNXBMFYSA-N 1 0 338.795 2.028 20 5 EEBDRO CCc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000572479178 319849654 /nfs/dbraw/zinc/84/96/54/319849654.db2.gz KIJXQNPEVSWABM-UHFFFAOYSA-N 1 0 343.449 2.023 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155778 320146140 /nfs/dbraw/zinc/14/61/40/320146140.db2.gz GBFOULBJHWFNOT-DOMZBBRYSA-N 1 0 347.371 2.004 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000182298050 323371541 /nfs/dbraw/zinc/37/15/41/323371541.db2.gz RPKBAWGBJPURPM-JSGCOSHPSA-N 1 0 337.376 2.089 20 5 EEBDRO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000580194585 324013530 /nfs/dbraw/zinc/01/35/30/324013530.db2.gz VFTFYZREMGOCCE-ZJUUUORDSA-N 1 0 347.362 2.463 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000582541245 324474247 /nfs/dbraw/zinc/47/42/47/324474247.db2.gz FDGARQXALXEMAM-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO CNc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000326351591 465037123 /nfs/dbraw/zinc/03/71/23/465037123.db2.gz VHSVQPAOCFRSQA-ZDUSSCGKSA-N 1 0 332.404 2.337 20 5 EEBDRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000326387620 465038527 /nfs/dbraw/zinc/03/85/27/465038527.db2.gz KJCKTFMUAUBPIA-OAHLLOKOSA-N 1 0 346.431 2.023 20 5 EEBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036328 465058862 /nfs/dbraw/zinc/05/88/62/465058862.db2.gz FBIFNVCIUXELDF-PBHICJAKSA-N 1 0 335.404 2.351 20 5 EEBDRO CCN(C)C(=O)[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000296120919 465086988 /nfs/dbraw/zinc/08/69/88/465086988.db2.gz FMVCCHUKUYCFOZ-HNNXBMFYSA-N 1 0 341.383 2.335 20 5 EEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000339398921 465247737 /nfs/dbraw/zinc/24/77/37/465247737.db2.gz XCABDLHOHOGBPX-SNVBAGLBSA-N 1 0 334.332 2.462 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CCN(CC[C@H](O)c2ccccc2)CC1 ZINC000298095353 465299659 /nfs/dbraw/zinc/29/96/59/465299659.db2.gz MYOPRLFARWDYQF-KRWDZBQOSA-N 1 0 342.399 2.236 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000590566423 468273759 /nfs/dbraw/zinc/27/37/59/468273759.db2.gz HXYHDKGAMRHHNI-UONOGXRCSA-N 1 0 335.404 2.223 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCOCC1 ZINC000127868570 462589828 /nfs/dbraw/zinc/58/98/28/462589828.db2.gz UQRDAHGQESPHNZ-GFCCVEGCSA-N 1 0 336.392 2.054 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000046034121 462639137 /nfs/dbraw/zinc/63/91/37/462639137.db2.gz QOCXFKZVSGDKML-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000063692811 462662355 /nfs/dbraw/zinc/66/23/55/462662355.db2.gz CXDFUTCIIGAPIP-NSHDSACASA-N 1 0 338.383 2.166 20 5 EEBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)c1 ZINC000046708147 462697205 /nfs/dbraw/zinc/69/72/05/462697205.db2.gz DWAVFWDDKNKBGF-CYBMUJFWSA-N 1 0 333.344 2.229 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000075955160 462778170 /nfs/dbraw/zinc/77/81/70/462778170.db2.gz RHPLJNRIPHFJEI-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO COc1ccc(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000047405773 462778650 /nfs/dbraw/zinc/77/86/50/462778650.db2.gz AZKDOMSCGSIHHF-GFCCVEGCSA-N 1 0 349.387 2.043 20 5 EEBDRO COC[C@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000117946141 462818928 /nfs/dbraw/zinc/81/89/28/462818928.db2.gz DNKAOYQMYUMPAE-MRXNPFEDSA-N 1 0 345.399 2.460 20 5 EEBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000091482623 462883738 /nfs/dbraw/zinc/88/37/38/462883738.db2.gz AQHVFPMSSMXTLC-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000076966211 462928811 /nfs/dbraw/zinc/92/88/11/462928811.db2.gz DLCKWFKYKPIWAY-UHFFFAOYSA-N 1 0 338.383 2.310 20 5 EEBDRO COc1cc(CN(C)CCC[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000568393546 468330422 /nfs/dbraw/zinc/33/04/22/468330422.db2.gz GJVFVZLHVPRPCM-UHFFFAOYSA-N 1 0 333.335 2.028 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000094123181 463059846 /nfs/dbraw/zinc/05/98/46/463059846.db2.gz MSGOBQFQNQKKEZ-OAHLLOKOSA-N 1 0 349.431 2.361 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068421172 463132991 /nfs/dbraw/zinc/13/29/91/463132991.db2.gz WLIWOMISEBAADF-OAHLLOKOSA-N 1 0 330.388 2.150 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157465361 463134648 /nfs/dbraw/zinc/13/46/48/463134648.db2.gz LSRIQXIWUKNMNX-KRWDZBQOSA-N 1 0 345.403 2.274 20 5 EEBDRO Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 ZINC000078664831 463138628 /nfs/dbraw/zinc/13/86/28/463138628.db2.gz RBMAMMSFSSSCLA-SNVBAGLBSA-N 1 0 334.405 2.045 20 5 EEBDRO CSC[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135424390 463154282 /nfs/dbraw/zinc/15/42/82/463154282.db2.gz JDXLXFYUBZQJBZ-CQSZACIVSA-N 1 0 335.429 2.311 20 5 EEBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000157750845 463166210 /nfs/dbraw/zinc/16/62/10/463166210.db2.gz CILPBEUPXROZOO-UHFFFAOYSA-N 1 0 335.452 2.379 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054646779 463251213 /nfs/dbraw/zinc/25/12/13/463251213.db2.gz SMSJFOKAOBUTTC-JKSUJKDBSA-N 1 0 332.404 2.063 20 5 EEBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC000122406823 463261681 /nfs/dbraw/zinc/26/16/81/463261681.db2.gz MLJZQTPYFBAXGU-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069514638 463265126 /nfs/dbraw/zinc/26/51/26/463265126.db2.gz DWEPEBQBGSTRRR-LSDHHAIUSA-N 1 0 332.404 2.140 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000072608721 463525297 /nfs/dbraw/zinc/52/52/97/463525297.db2.gz RRYCJFFMFZPCHP-IAGOWNOFSA-N 1 0 330.388 2.283 20 5 EEBDRO CCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000125336695 463533282 /nfs/dbraw/zinc/53/32/82/463533282.db2.gz CEHZGDGWZXTJPM-GFCCVEGCSA-N 1 0 329.422 2.041 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000042593964 463579138 /nfs/dbraw/zinc/57/91/38/463579138.db2.gz QZWVLWDLZZLYNQ-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108890518 463627195 /nfs/dbraw/zinc/62/71/95/463627195.db2.gz ADOXPSWUEWVSHE-LLVKDONJSA-N 1 0 348.359 2.026 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073664536 463640443 /nfs/dbraw/zinc/64/04/43/463640443.db2.gz JPVXLANFVPGQOR-CQSZACIVSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000060063826 463648835 /nfs/dbraw/zinc/64/88/35/463648835.db2.gz FOISVYPKTDFPSP-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000287051064 463783935 /nfs/dbraw/zinc/78/39/35/463783935.db2.gz JHMQIPUCFKZBAH-UKRRQHHQSA-N 1 0 332.404 2.092 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287217274 463837889 /nfs/dbraw/zinc/83/78/89/463837889.db2.gz QBKZUXMZLRUPOT-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000287221594 463838942 /nfs/dbraw/zinc/83/89/42/463838942.db2.gz FLQIOPGKZKQDEE-SNVBAGLBSA-N 1 0 329.784 2.280 20 5 EEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000287236281 463842537 /nfs/dbraw/zinc/84/25/37/463842537.db2.gz GEXJEVFNUPBFKC-GFCCVEGCSA-N 1 0 339.392 2.025 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287269017 463853298 /nfs/dbraw/zinc/85/32/98/463853298.db2.gz SENGCRKAKJVJSM-IINYFYTJSA-N 1 0 336.367 2.015 20 5 EEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000262175736 463964686 /nfs/dbraw/zinc/96/46/86/463964686.db2.gz IFETZXIBXJOOJR-HNNXBMFYSA-N 1 0 328.372 2.272 20 5 EEBDRO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000172017107 463969583 /nfs/dbraw/zinc/96/95/83/463969583.db2.gz HZNUJTGXTQLKTN-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287817905 464011094 /nfs/dbraw/zinc/01/10/94/464011094.db2.gz CEEQRPXPGDWNLO-XYPWUTKMSA-N 1 0 346.431 2.404 20 5 EEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195244552 464023955 /nfs/dbraw/zinc/02/39/55/464023955.db2.gz NQLKNITZTNBCLC-TXEJJXNPSA-N 1 0 344.396 2.010 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284291419 464139314 /nfs/dbraw/zinc/13/93/14/464139314.db2.gz GCZUMRSFMXBDGF-LLVKDONJSA-N 1 0 338.383 2.024 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172789532 464143673 /nfs/dbraw/zinc/14/36/73/464143673.db2.gz GARNLVNLWCMZHK-ZDUSSCGKSA-N 1 0 332.404 2.400 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270084058 464181877 /nfs/dbraw/zinc/18/18/77/464181877.db2.gz JDZMWDHAABOSME-OAHLLOKOSA-N 1 0 347.415 2.164 20 5 EEBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000179920866 464209792 /nfs/dbraw/zinc/20/97/92/464209792.db2.gz BJJNFMSQMCGRPA-NSHDSACASA-N 1 0 335.335 2.255 20 5 EEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000280754456 464245566 /nfs/dbraw/zinc/24/55/66/464245566.db2.gz BZYYTOKCOQTDTR-HNNXBMFYSA-N 1 0 343.330 2.154 20 5 EEBDRO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000270577836 464260648 /nfs/dbraw/zinc/26/06/48/464260648.db2.gz CFFJLSZIAZMOSS-CQSZACIVSA-N 1 0 337.379 2.189 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000264399754 464310671 /nfs/dbraw/zinc/31/06/71/464310671.db2.gz MDGNBDYSJRYCTR-MRXNPFEDSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000264445157 464328375 /nfs/dbraw/zinc/32/83/75/464328375.db2.gz RIVZOJYZXWNGPF-SMDDNHRTSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237563714 464339738 /nfs/dbraw/zinc/33/97/38/464339738.db2.gz XINCVLWFSGHONH-GXTWGEPZSA-N 1 0 343.387 2.122 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188846389 464380833 /nfs/dbraw/zinc/38/08/33/464380833.db2.gz ZJXYFGGBZCMVRZ-MLGOLLRUSA-N 1 0 330.388 2.246 20 5 EEBDRO [NH3+]Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000237954640 464410635 /nfs/dbraw/zinc/41/06/35/464410635.db2.gz OCANFTXUQDUOKJ-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000238003322 464418086 /nfs/dbraw/zinc/41/80/86/464418086.db2.gz JCBLBRNYIBSFEA-BBRMVZONSA-N 1 0 346.431 2.442 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175392218 464538847 /nfs/dbraw/zinc/53/88/47/464538847.db2.gz AYTXQAKXIRSBPL-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000294604859 464550562 /nfs/dbraw/zinc/55/05/62/464550562.db2.gz WQRLXIQFKFTAJJ-CQSZACIVSA-N 1 0 325.384 2.380 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000272293759 464551479 /nfs/dbraw/zinc/55/14/79/464551479.db2.gz BVSZEYUSXRNRRS-UONOGXRCSA-N 1 0 338.433 2.413 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000281704810 464553869 /nfs/dbraw/zinc/55/38/69/464553869.db2.gz ZZTRVCYJOQANIU-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272304085 464555919 /nfs/dbraw/zinc/55/59/19/464555919.db2.gz QWSCLZFNYYZQOP-BDAKNGLRSA-N 1 0 331.294 2.423 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175556342 464574320 /nfs/dbraw/zinc/57/43/20/464574320.db2.gz YXBQXMKCNKAXAE-UHFFFAOYSA-N 1 0 348.403 2.232 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000182136880 464580196 /nfs/dbraw/zinc/58/01/96/464580196.db2.gz ULEGJTPTJAQKFO-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000182178906 464592090 /nfs/dbraw/zinc/59/20/90/464592090.db2.gz VVVDFSOAARMCFJ-MRXNPFEDSA-N 1 0 343.383 2.394 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265573807 464606422 /nfs/dbraw/zinc/60/64/22/464606422.db2.gz LZJDZDQHQZGXHR-ZDUSSCGKSA-N 1 0 348.403 2.231 20 5 EEBDRO COc1ccc([C@H](CCO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395565 464645061 /nfs/dbraw/zinc/64/50/61/464645061.db2.gz HYQUVUOBRLDLEV-ROUUACIJSA-N 1 0 346.383 2.350 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000281955205 464648184 /nfs/dbraw/zinc/64/81/84/464648184.db2.gz SNSUQTCKQNRIHH-UHFFFAOYSA-N 1 0 332.404 2.402 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCOCCO ZINC000272552137 464658056 /nfs/dbraw/zinc/65/80/56/464658056.db2.gz MHWGVBMIFXXWSG-ZDUSSCGKSA-N 1 0 328.434 2.454 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000295020581 464680894 /nfs/dbraw/zinc/68/08/94/464680894.db2.gz CFRIXBVDBHEPFE-UHFFFAOYSA-N 1 0 332.447 2.349 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000282067273 464687830 /nfs/dbraw/zinc/68/78/30/464687830.db2.gz NANHTSIAISMMGD-GFCCVEGCSA-N 1 0 349.309 2.169 20 5 EEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000182699604 464711487 /nfs/dbraw/zinc/71/14/87/464711487.db2.gz AQUQCESQGKZWDA-GFCCVEGCSA-N 1 0 327.344 2.367 20 5 EEBDRO COC[C@]1(C(=O)OC)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000295137981 464718675 /nfs/dbraw/zinc/71/86/75/464718675.db2.gz ZAULZPDOUMPTHY-HNNXBMFYSA-N 1 0 342.779 2.260 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000273870667 464726520 /nfs/dbraw/zinc/72/65/20/464726520.db2.gz QAQJLXZRBXXHCQ-SJORKVTESA-N 1 0 330.388 2.379 20 5 EEBDRO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182917249 464758132 /nfs/dbraw/zinc/75/81/32/464758132.db2.gz PJQYBKCNAIVPHK-WBMJQRKESA-N 1 0 336.388 2.210 20 5 EEBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CO)CCOCC1 ZINC000191018064 464763040 /nfs/dbraw/zinc/76/30/40/464763040.db2.gz LDEOXQTVBHSTJK-UHFFFAOYSA-N 1 0 347.371 2.223 20 5 EEBDRO Cc1cc(NC(=O)CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282346134 464783769 /nfs/dbraw/zinc/78/37/69/464783769.db2.gz CGIUVPQKNDCISM-UHFFFAOYSA-N 1 0 332.360 2.394 20 5 EEBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295477660 464851674 /nfs/dbraw/zinc/85/16/74/464851674.db2.gz YWNPNOIGZKFPAE-AWEZNQCLSA-N 1 0 331.416 2.470 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286317723 464878883 /nfs/dbraw/zinc/87/88/83/464878883.db2.gz KQSDMZNNLWELJC-WCQYABFASA-N 1 0 343.387 2.307 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286425360 464913034 /nfs/dbraw/zinc/91/30/34/464913034.db2.gz IPFWLCDVRPMCLU-CUOATXAZSA-N 1 0 341.795 2.420 20 5 EEBDRO COC(=O)c1cnc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000276596126 464992786 /nfs/dbraw/zinc/99/27/86/464992786.db2.gz CGXSQGJNIFQUPA-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)c1nc2sccn2c1[N+](=O)[O-] ZINC000268297829 465010745 /nfs/dbraw/zinc/01/07/45/465010745.db2.gz GEDRFPMZCFATFK-UHFFFAOYSA-N 1 0 335.389 2.465 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000298188049 465327181 /nfs/dbraw/zinc/32/71/81/465327181.db2.gz JNDYDMDBKONQBD-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538400 465441757 /nfs/dbraw/zinc/44/17/57/465441757.db2.gz AXVPRXZYJKGSIY-GXSJLCMTSA-N 1 0 335.364 2.079 20 5 EEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356724007 465506362 /nfs/dbraw/zinc/50/63/62/465506362.db2.gz FZECSVGYRRZOBZ-DLBZAZTESA-N 1 0 341.367 2.128 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352358085 465519002 /nfs/dbraw/zinc/51/90/02/465519002.db2.gz WFQDLDJFNUAFKM-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000343630270 465537198 /nfs/dbraw/zinc/53/71/98/465537198.db2.gz LQVFMYKYBHAHKR-UHFFFAOYSA-N 1 0 340.383 2.014 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000352816687 465558561 /nfs/dbraw/zinc/55/85/61/465558561.db2.gz PQYSKNRFDXCYBT-CABCVRRESA-N 1 0 346.431 2.400 20 5 EEBDRO CSC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000362335284 465662848 /nfs/dbraw/zinc/66/28/48/465662848.db2.gz WVYMSWNRJDJJQL-UHFFFAOYSA-N 1 0 337.445 2.081 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCC(F)(F)F ZINC000353394701 465852553 /nfs/dbraw/zinc/85/25/53/465852553.db2.gz NJYJDNRUDMAGJL-UHFFFAOYSA-N 1 0 335.282 2.426 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000299734010 465875091 /nfs/dbraw/zinc/87/50/91/465875091.db2.gz ZFWYBGRJFMJISE-INIZCTEOSA-N 1 0 349.387 2.043 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000301129530 465906537 /nfs/dbraw/zinc/90/65/37/465906537.db2.gz ZCIOAJDHEKJEHB-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000346149444 465937175 /nfs/dbraw/zinc/93/71/75/465937175.db2.gz XTOBYAMQIJBWGV-CQSZACIVSA-N 1 0 337.423 2.221 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301290806 465937459 /nfs/dbraw/zinc/93/74/59/465937459.db2.gz NPRICKDSESABLV-AWEZNQCLSA-N 1 0 338.839 2.464 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349060175 465945292 /nfs/dbraw/zinc/94/52/92/465945292.db2.gz UMJQCJSHYQTZQI-LBPRGKRZSA-N 1 0 326.356 2.367 20 5 EEBDRO CCCC[N@H+](C)CC1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357325743 465948929 /nfs/dbraw/zinc/94/89/29/465948929.db2.gz CNFGEMOZHWUXHA-UHFFFAOYSA-N 1 0 349.435 2.037 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000361404821 465966346 /nfs/dbraw/zinc/96/63/46/465966346.db2.gz OBIRABJIYAFERI-SJORKVTESA-N 1 0 330.388 2.379 20 5 EEBDRO O=C(c1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591440667 468470549 /nfs/dbraw/zinc/47/05/49/468470549.db2.gz IIKZWERSVNXBRI-CZUORRHYSA-N 1 0 344.415 2.019 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CC[C@H](CO)O3)o2)c1 ZINC000353707322 466084747 /nfs/dbraw/zinc/08/47/47/466084747.db2.gz QGFVKFSMATWIIM-GDBMZVCRSA-N 1 0 332.356 2.484 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331451754 466091291 /nfs/dbraw/zinc/09/12/91/466091291.db2.gz OWQPPBYOJNTXIV-ZDUSSCGKSA-N 1 0 349.435 2.389 20 5 EEBDRO CC[C@H](C)[NH2+][C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000357543609 466117580 /nfs/dbraw/zinc/11/75/80/466117580.db2.gz HQGAKQIUJJKQQQ-JQWIXIFHSA-N 1 0 347.375 2.223 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000353760752 466126957 /nfs/dbraw/zinc/12/69/57/466126957.db2.gz AZMSRCGMPDOABK-LBPRGKRZSA-N 1 0 340.401 2.132 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155565 466191757 /nfs/dbraw/zinc/19/17/57/466191757.db2.gz GFSSXXGEAMNCGL-CHWSQXEVSA-N 1 0 334.372 2.320 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372156312 466193262 /nfs/dbraw/zinc/19/32/62/466193262.db2.gz NWSREJFDMLNXSJ-HZSPNIEDSA-N 1 0 333.388 2.280 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349785898 466239883 /nfs/dbraw/zinc/23/98/83/466239883.db2.gz WASHIVOCGCHIKP-CYBMUJFWSA-N 1 0 343.449 2.219 20 5 EEBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940760 466316126 /nfs/dbraw/zinc/31/61/26/466316126.db2.gz LWYOFLABSHINRH-SWLSCSKDSA-N 1 0 336.388 2.444 20 5 EEBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331975098 466330412 /nfs/dbraw/zinc/33/04/12/466330412.db2.gz SWYXFHLXMJSVBI-GFCCVEGCSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000332019774 466349349 /nfs/dbraw/zinc/34/93/49/466349349.db2.gz FYLMSSCLXVOJCC-DGCLKSJQSA-N 1 0 330.388 2.218 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000305202072 466377834 /nfs/dbraw/zinc/37/78/34/466377834.db2.gz BBKYQSUELJWHLK-KGLIPLIRSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000361887590 466379760 /nfs/dbraw/zinc/37/97/60/466379760.db2.gz FQKVPRIAPITZAK-GJZGRUSLSA-N 1 0 348.447 2.362 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332120010 466398284 /nfs/dbraw/zinc/39/82/84/466398284.db2.gz FLXVLUUVSKGKEA-BBRMVZONSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000569439542 468490110 /nfs/dbraw/zinc/49/01/10/468490110.db2.gz AFAKGPKNTYDCFI-IAQYHMDHSA-N 1 0 326.418 2.385 20 5 EEBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332225068 466456514 /nfs/dbraw/zinc/45/65/14/466456514.db2.gz BNOQDNPWQAUEGZ-ZDUSSCGKSA-N 1 0 346.387 2.264 20 5 EEBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332225067 466456675 /nfs/dbraw/zinc/45/66/75/466456675.db2.gz BNOQDNPWQAUEGZ-CYBMUJFWSA-N 1 0 346.387 2.264 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341047243 466539999 /nfs/dbraw/zinc/53/99/99/466539999.db2.gz LRFSJZOPDAXINY-UHFFFAOYSA-N 1 0 349.479 2.461 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccncc1OCC[NH+](C)C ZINC000341059133 466548872 /nfs/dbraw/zinc/54/88/72/466548872.db2.gz WSJLWIKHPJQJLQ-UHFFFAOYSA-N 1 0 348.407 2.067 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC000324698128 466649204 /nfs/dbraw/zinc/64/92/04/466649204.db2.gz WULIKHNNDPYSOI-OAHLLOKOSA-N 1 0 334.347 2.306 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000410636734 466720728 /nfs/dbraw/zinc/72/07/28/466720728.db2.gz NGATVSHBOLVQEB-QWRGUYRKSA-N 1 0 339.367 2.297 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423701026 466808342 /nfs/dbraw/zinc/80/83/42/466808342.db2.gz UQKKDTZJSFBQAB-NWDGAFQWSA-N 1 0 328.372 2.390 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423718606 466812418 /nfs/dbraw/zinc/81/24/18/466812418.db2.gz LKUXANGUBYBQSA-KGLIPLIRSA-N 1 0 347.415 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)C[NH+]1CCCC1)CCCC2 ZINC000417306843 466827979 /nfs/dbraw/zinc/82/79/79/466827979.db2.gz AXYCOTGEPVRIHG-WMZOPIPTSA-N 1 0 333.432 2.409 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411933218 466939229 /nfs/dbraw/zinc/93/92/29/466939229.db2.gz JLMORORQYAHADF-ZDUSSCGKSA-N 1 0 335.404 2.292 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000411977060 466954148 /nfs/dbraw/zinc/95/41/48/466954148.db2.gz XRCXSIJFLCPOPU-SFHVURJKSA-N 1 0 325.368 2.224 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000424037009 466959649 /nfs/dbraw/zinc/95/96/49/466959649.db2.gz FZGXABYPJFUNGK-KRWDZBQOSA-N 1 0 346.431 2.243 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127157 467020375 /nfs/dbraw/zinc/02/03/75/467020375.db2.gz KWAUNEZJUDDUGU-VJUNAUMWSA-N 1 0 331.416 2.497 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418715336 467149614 /nfs/dbraw/zinc/14/96/14/467149614.db2.gz BIEAJROLGVBJJY-DOMZBBRYSA-N 1 0 332.404 2.180 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000413207041 467189847 /nfs/dbraw/zinc/18/98/47/467189847.db2.gz LNONXIGWHIJZFL-HIFRSBDPSA-N 1 0 346.362 2.176 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C[C@H]4CCOC4)CC3)ccnc21 ZINC000432325520 467231514 /nfs/dbraw/zinc/23/15/14/467231514.db2.gz LEYHBDCMNSOCJH-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)[C@H]2CCCSC2)cc1 ZINC000433212989 467309199 /nfs/dbraw/zinc/30/91/99/467309199.db2.gz NFWZVAYGMQUFTA-AWEZNQCLSA-N 1 0 326.418 2.164 20 5 EEBDRO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420271307 467333785 /nfs/dbraw/zinc/33/37/85/467333785.db2.gz HLPSRBOBRNJMCX-OCCSQVGLSA-N 1 0 327.388 2.321 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000452973181 467449734 /nfs/dbraw/zinc/44/97/34/467449734.db2.gz JWNBEGNHGXCAMG-ABAIWWIYSA-N 1 0 335.379 2.174 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430648420 467455414 /nfs/dbraw/zinc/45/54/14/467455414.db2.gz QZDRYTHBDVNANC-CJNGLKHVSA-N 1 0 334.420 2.434 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CNCCO3)s2)cc1 ZINC000415093348 467488427 /nfs/dbraw/zinc/48/84/27/467488427.db2.gz HXSGKERSAOCASB-AWEZNQCLSA-N 1 0 333.413 2.401 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000453432041 467489463 /nfs/dbraw/zinc/48/94/63/467489463.db2.gz VIMBVMHIXUUVTB-OAHLLOKOSA-N 1 0 344.419 2.309 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000415129573 467497141 /nfs/dbraw/zinc/49/71/41/467497141.db2.gz VCDFQHIIQKOTMM-UONOGXRCSA-N 1 0 325.434 2.375 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000408194144 467525458 /nfs/dbraw/zinc/52/54/58/467525458.db2.gz GXCNPRSBPBCEPS-GXTWGEPZSA-N 1 0 327.388 2.459 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000437933789 467558196 /nfs/dbraw/zinc/55/81/96/467558196.db2.gz AOQMLYPPRXSVRQ-KBRIMQKVSA-N 1 0 347.415 2.227 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447529715 467587783 /nfs/dbraw/zinc/58/77/83/467587783.db2.gz MHXKWNHGNKRGRG-LSDHHAIUSA-N 1 0 349.435 2.267 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000447801534 467588737 /nfs/dbraw/zinc/58/87/37/467588737.db2.gz CTUTZSSYHAOPMJ-AWEZNQCLSA-N 1 0 329.404 3.070 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750652 467707115 /nfs/dbraw/zinc/70/71/15/467707115.db2.gz JPPBEFKXEYZUMS-NOZJJQNGSA-N 1 0 341.795 2.272 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450306925 467822543 /nfs/dbraw/zinc/82/25/43/467822543.db2.gz VHPOOIFEZBMLSR-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458456573 467838096 /nfs/dbraw/zinc/83/80/96/467838096.db2.gz AMJNOOPAXPIICR-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CCC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450602045 467877796 /nfs/dbraw/zinc/87/77/96/467877796.db2.gz ZORIMMCWPVOFGM-CQSZACIVSA-N 1 0 335.404 2.446 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352097 467892800 /nfs/dbraw/zinc/89/28/00/467892800.db2.gz MIHMKKAZVVSWMZ-LZNQSLFOSA-N 1 0 347.415 2.225 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530520861 467990769 /nfs/dbraw/zinc/99/07/69/467990769.db2.gz CGDGOFBJAFBGAL-UHFFFAOYSA-N 1 0 349.431 2.480 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000567700792 468188679 /nfs/dbraw/zinc/18/86/79/468188679.db2.gz RJYPUSWWKSHFPH-DGCLKSJQSA-N 1 0 330.331 2.360 20 5 EEBDRO CNC(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594596945 468630962 /nfs/dbraw/zinc/63/09/62/468630962.db2.gz BJSOGHUFGDXHPP-ZFWWWQNUSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1c(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cccc1[N+](=O)[O-] ZINC000592476776 468706884 /nfs/dbraw/zinc/70/68/84/468706884.db2.gz YSRJWWPSQJFCKV-LLVKDONJSA-N 1 0 329.360 2.188 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ccccc2)c1 ZINC000559238707 468731828 /nfs/dbraw/zinc/73/18/28/468731828.db2.gz JBCVPGRJDDNWOR-OAHLLOKOSA-N 1 0 332.356 2.003 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104718 468742977 /nfs/dbraw/zinc/74/29/77/468742977.db2.gz DRLYFICHWQHNBG-CQSZACIVSA-N 1 0 343.431 2.003 20 5 EEBDRO CCC[N@@H+]1CC[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595097583 468757886 /nfs/dbraw/zinc/75/78/86/468757886.db2.gz YALXYQOTNSFSEV-DOTOQJQBSA-N 1 0 343.431 2.492 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000560093031 468766467 /nfs/dbraw/zinc/76/64/67/468766467.db2.gz AEFGGDNWKYZHMV-LLVKDONJSA-N 1 0 339.367 2.203 20 5 EEBDRO COC(=O)c1ccnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598598864 468927373 /nfs/dbraw/zinc/92/73/73/468927373.db2.gz FGGWTIHBFWNDKF-ZDUSSCGKSA-N 1 0 348.403 2.089 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC3CCC3)CC2)cn1 ZINC000602637105 468981046 /nfs/dbraw/zinc/98/10/46/468981046.db2.gz CMKUDNAKEWDLDW-HNNXBMFYSA-N 1 0 334.420 2.099 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595741251 468981652 /nfs/dbraw/zinc/98/16/52/468981652.db2.gz MCSPVORSAMQJPP-DOMZBBRYSA-N 1 0 333.388 2.094 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000593484864 469000976 /nfs/dbraw/zinc/00/09/76/469000976.db2.gz QQDKQGPLBYXORR-CYBMUJFWSA-N 1 0 335.379 2.221 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000602807289 469089007 /nfs/dbraw/zinc/08/90/07/469089007.db2.gz XHKNEUCHDSCHLV-UHFFFAOYSA-N 1 0 330.344 2.107 20 5 EEBDRO C[NH+]1CCN(CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599020832 469090700 /nfs/dbraw/zinc/09/07/00/469090700.db2.gz PGSNAANBJODRDD-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO C[C@@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595985797 469105906 /nfs/dbraw/zinc/10/59/06/469105906.db2.gz MFGJNQJGTKDKHS-CYBMUJFWSA-N 1 0 329.809 2.209 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593730860 469113178 /nfs/dbraw/zinc/11/31/78/469113178.db2.gz JFANTWQTAGHBDA-GLJUWKHASA-N 1 0 346.431 2.291 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610928949 469114324 /nfs/dbraw/zinc/11/43/24/469114324.db2.gz SVBUBYUSQKUGBO-CYBMUJFWSA-N 1 0 340.811 2.334 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593759197 469126450 /nfs/dbraw/zinc/12/64/50/469126450.db2.gz UDCNQBHBBRBYEE-XJKCOSOUSA-N 1 0 348.403 2.345 20 5 EEBDRO C[NH+]1CCN(CCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596062701 469134835 /nfs/dbraw/zinc/13/48/35/469134835.db2.gz LHXOWVMZQFMRNQ-UHFFFAOYSA-N 1 0 343.225 2.017 20 5 EEBDRO CCSC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000596065471 469135320 /nfs/dbraw/zinc/13/53/20/469135320.db2.gz JDDLNCLPJYANGP-CYBMUJFWSA-N 1 0 326.418 2.210 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000588311623 469138087 /nfs/dbraw/zinc/13/80/87/469138087.db2.gz ISXNUVIGORYCQI-BBRMVZONSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccsc1 ZINC000596075617 469141259 /nfs/dbraw/zinc/14/12/59/469141259.db2.gz KQJFBXUJYPWHGR-AWEZNQCLSA-N 1 0 334.401 2.470 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596077691 469142846 /nfs/dbraw/zinc/14/28/46/469142846.db2.gz NQOYKAHUXVDBQJ-BETUJISGSA-N 1 0 334.420 2.474 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602043214 469158792 /nfs/dbraw/zinc/15/87/92/469158792.db2.gz BNKASUBOXFWNEY-MRXNPFEDSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CCC[C@@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000589051788 469189369 /nfs/dbraw/zinc/18/93/69/469189369.db2.gz GLIWGMKZQOFUSZ-CJNGLKHVSA-N 1 0 343.383 2.349 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573834831 469217442 /nfs/dbraw/zinc/21/74/42/469217442.db2.gz DWXQRXVDNXSHCT-SJLPKXTDSA-N 1 0 346.431 2.257 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573834688 469217874 /nfs/dbraw/zinc/21/78/74/469217874.db2.gz DWXQRXVDNXSHCT-FUHWJXTLSA-N 1 0 346.431 2.257 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000596437875 469266391 /nfs/dbraw/zinc/26/63/91/469266391.db2.gz YUDDUPIKAMXLJH-UHFFFAOYSA-N 1 0 333.417 2.770 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596441895 469267260 /nfs/dbraw/zinc/26/72/60/469267260.db2.gz RRZJZJLKRDXVKB-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EEBDRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602432245 469314438 /nfs/dbraw/zinc/31/44/38/469314438.db2.gz XTQXUDIOQBSPTA-CQSZACIVSA-N 1 0 334.420 2.007 20 5 EEBDRO COc1cccc(C[C@H]([NH3+])C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000602445232 469318749 /nfs/dbraw/zinc/31/87/49/469318749.db2.gz UUGYLCWUODNSPK-INIZCTEOSA-N 1 0 343.383 2.132 20 5 EEBDRO Cc1cc(NCCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925110 469345759 /nfs/dbraw/zinc/34/57/59/469345759.db2.gz JZIQAVHKAFRHMN-ZDUSSCGKSA-N 1 0 331.372 2.338 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000602542368 469354537 /nfs/dbraw/zinc/35/45/37/469354537.db2.gz VXRQHGGZWRFURD-YUMQZZPRSA-N 1 0 337.323 2.256 20 5 EEBDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120839 469399629 /nfs/dbraw/zinc/39/96/29/469399629.db2.gz YKTXECCJVPZGLO-ZIAGYGMSSA-N 1 0 331.372 2.389 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000618935275 469475868 /nfs/dbraw/zinc/47/58/68/469475868.db2.gz CMUDMSKZCDVEKJ-OCCSQVGLSA-N 1 0 343.387 2.101 20 5 EEBDRO COc1ccc(OCCN2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000610391084 470010033 /nfs/dbraw/zinc/01/00/33/470010033.db2.gz ORMVWZXPUPFSQL-CQSZACIVSA-N 1 0 337.420 2.445 20 5 EEBDRO COc1cc(C[N@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000190151106 533780460 /nfs/dbraw/zinc/78/04/60/533780460.db2.gz VXIVMOBGHFPOAL-UHFFFAOYSA-N 1 0 346.330 2.408 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000415448452 534116033 /nfs/dbraw/zinc/11/60/33/534116033.db2.gz UYKNAPRFEFTPFB-WCFLWFBJSA-N 1 0 334.376 2.195 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129517897 534359306 /nfs/dbraw/zinc/35/93/06/534359306.db2.gz HGXISQABSMTAIN-YIONKMFJSA-N 1 0 332.404 2.186 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000172427701 534886715 /nfs/dbraw/zinc/88/67/15/534886715.db2.gz BDSCAQDZBBDODC-UHFFFAOYSA-N 1 0 349.431 2.018 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424042 528596042 /nfs/dbraw/zinc/59/60/42/528596042.db2.gz MTOFKXCGFRGSSO-MLGOLLRUSA-N 1 0 326.393 2.432 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)CSc2ncccc2[N+](=O)[O-])CC1 ZINC000114218380 535157962 /nfs/dbraw/zinc/15/79/62/535157962.db2.gz NMJZFBWHLRMXDG-UHFFFAOYSA-N 1 0 338.433 2.071 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000246850392 535524186 /nfs/dbraw/zinc/52/41/86/535524186.db2.gz QSHPPIPCZWUUKL-STQMWFEESA-N 1 0 339.392 2.055 20 5 EEBDRO COc1cccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000452168702 537082045 /nfs/dbraw/zinc/08/20/45/537082045.db2.gz DPECRNPNVMZDBR-GFCCVEGCSA-N 1 0 333.388 2.160 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)sc2c1 ZINC000731209928 577086616 /nfs/dbraw/zinc/08/66/16/577086616.db2.gz FECKPYBFHIHZFR-ZIAGYGMSSA-N 1 0 348.428 2.240 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581334 577463142 /nfs/dbraw/zinc/46/31/42/577463142.db2.gz CXRUUSSBWODWRS-IAGOWNOFSA-N 1 0 347.415 2.105 20 5 EEBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596477 577463904 /nfs/dbraw/zinc/46/39/04/577463904.db2.gz FBVPIQYHKFWAGZ-CQSZACIVSA-N 1 0 337.420 2.159 20 5 EEBDRO COc1cc(COC(=O)[C@H]2CCCCN2C)c([N+](=O)[O-])cc1F ZINC000766205924 577515045 /nfs/dbraw/zinc/51/50/45/577515045.db2.gz GHYPXUDLDXPBFR-GFCCVEGCSA-N 1 0 326.324 2.270 20 5 EEBDRO C[C@H]1CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766382613 577518289 /nfs/dbraw/zinc/51/82/89/577518289.db2.gz MTKSLZWTXHAZLV-HNNXBMFYSA-N 1 0 332.448 2.495 20 5 EEBDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000769703752 577582641 /nfs/dbraw/zinc/58/26/41/577582641.db2.gz CYRXADSUGFWLJA-UHFFFAOYSA-N 1 0 334.420 2.337 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000758184495 577617874 /nfs/dbraw/zinc/61/78/74/577617874.db2.gz DLSPKWGKSVDQPY-QZTJIDSGSA-N 1 0 330.384 2.212 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000759756317 577649516 /nfs/dbraw/zinc/64/95/16/577649516.db2.gz OHCOSYAWVAWRTM-QGZVFWFLSA-N 1 0 344.371 2.301 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000755922628 577834551 /nfs/dbraw/zinc/83/45/51/577834551.db2.gz YROMXPWWEAXQGQ-CQSZACIVSA-N 1 0 346.431 2.123 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000742237650 577869387 /nfs/dbraw/zinc/86/93/87/577869387.db2.gz NLIOBQNZLYCNDS-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736254018 578191036 /nfs/dbraw/zinc/19/10/36/578191036.db2.gz XLDJDXWBRZENPY-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccnc(F)c1 ZINC001021887973 676537093 /nfs/dbraw/zinc/53/70/93/676537093.db2.gz QRUQJDNPWIDGDO-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021949453 676559676 /nfs/dbraw/zinc/55/96/76/676559676.db2.gz WGHOTJDDJQWNCG-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000891795423 676835555 /nfs/dbraw/zinc/83/55/55/676835555.db2.gz LXQRSZYMANJFMA-UHFFFAOYSA-N 1 0 329.404 2.447 20 5 EEBDRO CCCCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934048283 677769178 /nfs/dbraw/zinc/76/91/78/677769178.db2.gz NQCKZZFOLBKUQR-UHFFFAOYSA-N 1 0 335.408 2.268 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC001022592950 677966597 /nfs/dbraw/zinc/96/65/97/677966597.db2.gz GCBGDKJXVUMEBQ-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000892187012 678228400 /nfs/dbraw/zinc/22/84/00/678228400.db2.gz HBRMQUCFLONPCZ-QLFBSQMISA-N 1 0 332.404 2.091 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000176916404 679611941 /nfs/dbraw/zinc/61/19/41/679611941.db2.gz IPDWQUKSDIJZNE-UHFFFAOYSA-N 1 0 345.315 2.212 20 5 EEBDRO C[NH+](C)CC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000923881772 681592348 /nfs/dbraw/zinc/59/23/48/681592348.db2.gz OEYAPVIATXESRE-UHFFFAOYSA-N 1 0 331.376 2.226 20 5 EEBDRO COc1c(O)ccc(CN(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000894465785 682913231 /nfs/dbraw/zinc/91/32/31/682913231.db2.gz TUOSAKFJMAHIBL-UHFFFAOYSA-N 1 0 349.387 2.466 20 5 EEBDRO C[C@]1(NC(=O)CSc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892781369 683038944 /nfs/dbraw/zinc/03/89/44/683038944.db2.gz XATWDOPDQXBHQU-INIZCTEOSA-N 1 0 335.429 2.287 20 5 EEBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC000983656403 683081028 /nfs/dbraw/zinc/08/10/28/683081028.db2.gz BLSXLHVRXWBIET-NMFUWQPSSA-N 1 0 337.445 2.015 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001019995101 683511164 /nfs/dbraw/zinc/51/11/64/683511164.db2.gz QRGLKAMYIUGZQD-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001059304666 684079786 /nfs/dbraw/zinc/07/97/86/684079786.db2.gz VLKARVQRPBFXQD-WKILWMFISA-N 1 0 346.431 2.386 20 5 EEBDRO CC[C@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893292403 684548438 /nfs/dbraw/zinc/54/84/38/684548438.db2.gz WURZBEYNJCPPLF-LLVKDONJSA-N 1 0 338.360 2.253 20 5 EEBDRO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000985430295 686689098 /nfs/dbraw/zinc/68/90/98/686689098.db2.gz FCIGLAPQGKXMJP-IAGOWNOFSA-N 1 0 331.416 2.083 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000989908610 692453768 /nfs/dbraw/zinc/45/37/68/692453768.db2.gz KIFMGQFFTPRJND-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162666 1186670227 /nfs/dbraw/zinc/67/02/27/1186670227.db2.gz ZYHKCYBARNNMMP-VIFPVBQESA-N 1 0 343.181 2.231 20 5 EEBDRO Cc1c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095922 1198498694 /nfs/dbraw/zinc/49/86/94/1198498694.db2.gz RLZGGTWSJDQPPR-AEFFLSMTSA-N 1 0 330.384 2.477 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000825692775 1198693765 /nfs/dbraw/zinc/69/37/65/1198693765.db2.gz JWRCAUFGHIJFLX-OAHLLOKOSA-N 1 0 347.415 2.375 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000874465294 1198902045 /nfs/dbraw/zinc/90/20/45/1198902045.db2.gz UNYVFQYBDVERQT-UHFFFAOYSA-N 1 0 349.431 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131601 1199286194 /nfs/dbraw/zinc/28/61/94/1199286194.db2.gz MESNSHYDMSVZOQ-LSDHHAIUSA-N 1 0 336.779 2.425 20 5 EEBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000876529747 1199658728 /nfs/dbraw/zinc/65/87/28/1199658728.db2.gz GXJCDOFIMSIUPT-GOSISDBHSA-N 1 0 349.431 2.158 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000877574617 1199969600 /nfs/dbraw/zinc/96/96/00/1199969600.db2.gz PGGSWBHQQWDDJO-CQSZACIVSA-N 1 0 334.420 2.447 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000877902589 1200155523 /nfs/dbraw/zinc/15/55/23/1200155523.db2.gz RYTLCCJQQZJOKI-HNNXBMFYSA-N 1 0 348.403 2.360 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961165 1201323552 /nfs/dbraw/zinc/32/35/52/1201323552.db2.gz ADMMIHCPMKINQW-OLZOCXBDSA-N 1 0 335.404 2.405 20 5 EEBDRO CCC[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000882147474 1201822389 /nfs/dbraw/zinc/82/23/89/1201822389.db2.gz LONDFEKHFNQROG-GFCCVEGCSA-N 1 0 326.372 2.066 20 5 EEBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@H]1CSCC[NH2+]1 ZINC000882729356 1201929607 /nfs/dbraw/zinc/92/96/07/1201929607.db2.gz ZNSZVPIFLSVDKF-QMMMGPOBSA-N 1 0 332.223 2.474 20 5 EEBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000884049675 1202212747 /nfs/dbraw/zinc/21/27/47/1202212747.db2.gz AAIHEJPIFFDXAO-INIZCTEOSA-N 1 0 348.447 2.253 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000884855946 1202366633 /nfs/dbraw/zinc/36/66/33/1202366633.db2.gz VIDHYJMJWBWZDU-LLVKDONJSA-N 1 0 331.351 2.426 20 5 EEBDRO Cc1cc(OCC(=O)NCc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000927699547 1206292588 /nfs/dbraw/zinc/29/25/88/1206292588.db2.gz ZAZRLGUMHLOCDG-UHFFFAOYSA-N 1 0 344.371 2.059 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929459001 1206476880 /nfs/dbraw/zinc/47/68/80/1206476880.db2.gz FEAHVGXZTYOKHX-IAGOWNOFSA-N 1 0 331.416 2.499 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931045959 1206602540 /nfs/dbraw/zinc/60/25/40/1206602540.db2.gz ZSRNGERJZZBVEX-IAQYHMDHSA-N 1 0 338.383 2.087 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H]([NH+]4CC=CC4)C3)c2)c1 ZINC000777956453 1206608094 /nfs/dbraw/zinc/60/80/94/1206608094.db2.gz HBGDLRDXWMQINR-SFHVURJKSA-N 1 0 339.399 2.362 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933292109 1207754502 /nfs/dbraw/zinc/75/45/02/1207754502.db2.gz DDYJMKUWDHWIDL-ZACQAIPSSA-N 1 0 331.416 2.497 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778246286 1207969351 /nfs/dbraw/zinc/96/93/51/1207969351.db2.gz KTJSXBFXDSOEAX-CYBMUJFWSA-N 1 0 327.331 2.143 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778301161 1208087709 /nfs/dbraw/zinc/08/77/09/1208087709.db2.gz GTNSSZXCEHZFOS-UHFFFAOYSA-N 1 0 337.405 2.061 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000078231739 1210117995 /nfs/dbraw/zinc/11/79/95/1210117995.db2.gz OSZXOHYGNLKXEF-GFCCVEGCSA-N 1 0 336.348 2.026 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001019937405 1229411413 /nfs/dbraw/zinc/41/14/13/1229411413.db2.gz HKWAIWXYEXPUMX-SHTZXODSSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019980834 1229426962 /nfs/dbraw/zinc/42/69/62/1229426962.db2.gz HEYRZKRFRMGFMM-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001045437316 1233745183 /nfs/dbraw/zinc/74/51/83/1233745183.db2.gz NICRIJHIYOQPEB-IAGOWNOFSA-N 1 0 345.443 2.439 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097184936 1243797728 /nfs/dbraw/zinc/79/77/28/1243797728.db2.gz OWVQJMIKMKAJOJ-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)ccc1[N+](=O)[O-] ZINC001097227799 1243851378 /nfs/dbraw/zinc/85/13/78/1243851378.db2.gz PEXLYKSCNLWYDK-GASCZTMLSA-N 1 0 346.431 2.447 20 5 EEBDRO CSc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812335730 1277833254 /nfs/dbraw/zinc/83/32/54/1277833254.db2.gz WQOXDADMCFOCHE-QWHCGFSZSA-N 1 0 335.429 2.340 20 5 EEBDRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000110455407 1292033309 /nfs/dbraw/zinc/03/33/09/1292033309.db2.gz PMRZADKDTWODGH-UHFFFAOYSA-N 1 0 349.387 2.008 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000110998314 1292245565 /nfs/dbraw/zinc/24/55/65/1292245565.db2.gz DIGQNJIEAZQOAR-CQSZACIVSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000856486367 1293544591 /nfs/dbraw/zinc/54/45/91/1293544591.db2.gz YNFUTZBZJLSFPE-INIZCTEOSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000857232291 1293766690 /nfs/dbraw/zinc/76/66/90/1293766690.db2.gz UWQSUXGZLZRIDI-UHFFFAOYSA-N 1 0 341.433 2.102 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000794640021 1296482233 /nfs/dbraw/zinc/48/22/33/1296482233.db2.gz NZSSLIUBSANLPA-CYBMUJFWSA-N 1 0 347.371 2.351 20 5 EEBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001217957581 1297536518 /nfs/dbraw/zinc/53/65/18/1297536518.db2.gz LWZAILBTIMXVNL-DTORHVGOSA-N 1 0 348.140 2.329 20 5 EEBDRO O=c1oc2cc(O)ccc2c2cc(O[C@H]3CCC[NH2+]C3)c(O)cc12 ZINC001218283524 1297621194 /nfs/dbraw/zinc/62/11/94/1297621194.db2.gz LDOYJWCJZBUPSA-NSHDSACASA-N 1 0 327.336 2.488 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCCc3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001224333851 1300549984 /nfs/dbraw/zinc/54/99/84/1300549984.db2.gz NBIPJNAGWVGHOK-WNRNVDISSA-N 1 0 348.399 2.321 20 5 EEBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C(F)(F)F ZINC001225774314 1301154295 /nfs/dbraw/zinc/15/42/95/1301154295.db2.gz IGDTXWTXOXHTFW-LLVKDONJSA-N 1 0 348.341 2.271 20 5 EEBDRO COCC[NH+]1CCC(Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])CC1 ZINC001225888816 1301188926 /nfs/dbraw/zinc/18/89/26/1301188926.db2.gz GOQBTQGNOQPQOC-UHFFFAOYSA-N 1 0 343.311 2.132 20 5 EEBDRO COC(=O)c1cc(OC)c(O[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226431022 1301409416 /nfs/dbraw/zinc/40/94/16/1301409416.db2.gz LSSOUDIJCHQQFQ-LLVKDONJSA-N 1 0 338.360 2.252 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1-c1ccno1 ZINC001226534708 1301451978 /nfs/dbraw/zinc/45/19/78/1301451978.db2.gz KWRXWTBIDSZZFN-GFCCVEGCSA-N 1 0 339.799 2.358 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001227725771 1301941951 /nfs/dbraw/zinc/94/19/51/1301941951.db2.gz ZLAKWVPMAOTVDZ-LBPRGKRZSA-N 1 0 337.444 2.201 20 5 EEBDRO CC(C)[NH+]1CCC(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)CC1 ZINC001228243134 1302171584 /nfs/dbraw/zinc/17/15/84/1302171584.db2.gz UXXNADYIDVIIHO-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO C[C@H](c1cccc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1)[NH+](C)C ZINC001229629035 1302900645 /nfs/dbraw/zinc/90/06/45/1302900645.db2.gz ZFQLMNGBXUIHCL-RISCZKNCSA-N 1 0 332.360 2.254 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001103431194 1302951304 /nfs/dbraw/zinc/95/13/04/1302951304.db2.gz QPVHJRBAIQRSOJ-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2cc(F)cc(F)c2n1 ZINC001230219623 1303115142 /nfs/dbraw/zinc/11/51/42/1303115142.db2.gz LXOPGPSUXDNQCJ-GFCCVEGCSA-N 1 0 339.362 2.184 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190971 1305180219 /nfs/dbraw/zinc/18/02/19/1305180219.db2.gz VXOZUBXADAJTFH-HUUCEWRRSA-N 1 0 343.383 2.219 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1F ZINC001246882482 1310458608 /nfs/dbraw/zinc/45/86/08/1310458608.db2.gz RDGSJPGHIQVXBQ-RWMBFGLXSA-N 1 0 337.395 2.500 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1F ZINC000830015640 1314523319 /nfs/dbraw/zinc/52/33/19/1314523319.db2.gz ABPIBHUXTZGJIY-MWLCHTKSSA-N 1 0 339.342 2.394 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000841011329 1315454399 /nfs/dbraw/zinc/45/43/99/1315454399.db2.gz NHWYAZVMQBLFOA-AWEZNQCLSA-N 1 0 342.783 2.138 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857439 1315625057 /nfs/dbraw/zinc/62/50/57/1315625057.db2.gz YVAYTINPPAIWBT-SNVBAGLBSA-N 1 0 326.784 2.047 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843336793 1315893061 /nfs/dbraw/zinc/89/30/61/1315893061.db2.gz LXYSDFXWAARUND-UHFFFAOYSA-N 1 0 331.775 2.434 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000843351769 1315897340 /nfs/dbraw/zinc/89/73/40/1315897340.db2.gz CTJZNBNJGYZEJP-GMTAPVOTSA-N 1 0 340.811 2.257 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)n1 ZINC001154848929 1317349497 /nfs/dbraw/zinc/34/94/97/1317349497.db2.gz CWQJRBQSBFWAKM-UHFFFAOYSA-N 1 0 341.293 2.457 20 5 EEBDRO CN(C)/C=C/c1cc(-n2cncc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155063991 1317439725 /nfs/dbraw/zinc/43/97/25/1317439725.db2.gz LEKWORRPZFEHHZ-VMPITWQZSA-N 1 0 342.403 2.175 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001155094829 1317454703 /nfs/dbraw/zinc/45/47/03/1317454703.db2.gz DLLSWXDAVZRSNW-RKDXNWHRSA-N 1 0 342.783 2.230 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592040 1317663453 /nfs/dbraw/zinc/66/34/53/1317663453.db2.gz LSITUHYBLGSSCV-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc2c1 ZINC001155593093 1317664253 /nfs/dbraw/zinc/66/42/53/1317664253.db2.gz XOYCOAUUPOZOFW-SJCJKPOMSA-N 1 0 343.387 2.109 20 5 EEBDRO COC(=O)C1(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529948 1318057684 /nfs/dbraw/zinc/05/76/84/1318057684.db2.gz XXEIWGFNFDGUJP-UHFFFAOYSA-N 1 0 349.174 2.004 20 5 EEBDRO COC(=O)C[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483438 1318084468 /nfs/dbraw/zinc/08/44/68/1318084468.db2.gz UNJAGPUGHBDJTI-CQSZACIVSA-N 1 0 347.415 2.449 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCCC(F)(F)C1)C2 ZINC001254582008 1318131274 /nfs/dbraw/zinc/13/12/74/1318131274.db2.gz RSGTVUNTRYYBOY-AWEZNQCLSA-N 1 0 325.359 2.383 20 5 EEBDRO CCC(=O)N(C)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606095 1318141651 /nfs/dbraw/zinc/14/16/51/1318141651.db2.gz DOSOHKIJXWSDHF-KRWDZBQOSA-N 1 0 331.416 2.395 20 5 EEBDRO [NH3+]Cc1ccc2c(n1)N(c1ncnc3cccc([N+](=O)[O-])c31)CCC2 ZINC001158656030 1319360320 /nfs/dbraw/zinc/36/03/20/1319360320.db2.gz SIGFWXQARSPCFT-UHFFFAOYSA-N 1 0 336.355 2.476 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ncc([N+](=O)[O-])cc2Cl)C2COC2)CC1 ZINC001161275199 1320441918 /nfs/dbraw/zinc/44/19/18/1320441918.db2.gz NWJKNZHAIZYTDR-MGCOHNPYSA-N 1 0 326.784 2.118 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC001161473465 1320512040 /nfs/dbraw/zinc/51/20/40/1320512040.db2.gz YFYWTKWNCSNBQO-MRXNPFEDSA-N 1 0 341.415 2.381 20 5 EEBDRO [NH3+]C1(CC2CCC2)CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001161571821 1320542378 /nfs/dbraw/zinc/54/23/78/1320542378.db2.gz VRFKTKVVPAJZAF-UHFFFAOYSA-N 1 0 340.811 2.370 20 5 EEBDRO COC(=O)c1cnc(N2CCC([NH3+])(CC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001161571223 1320542815 /nfs/dbraw/zinc/54/28/15/1320542815.db2.gz BERQURRMACJCKU-UHFFFAOYSA-N 1 0 348.403 2.264 20 5 EEBDRO CCOc1cnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001163056017 1321025068 /nfs/dbraw/zinc/02/50/68/1321025068.db2.gz LZJUJJNZYRTCCE-CYBMUJFWSA-N 1 0 345.403 2.412 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163303696 1321091913 /nfs/dbraw/zinc/09/19/13/1321091913.db2.gz FAAPBNSKHWJTNO-YVEFUNNKSA-N 1 0 328.372 2.466 20 5 EEBDRO COCCC[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001165096915 1321454623 /nfs/dbraw/zinc/45/46/23/1321454623.db2.gz NWNVCXLWMJTLAQ-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165303779 1321497018 /nfs/dbraw/zinc/49/70/18/1321497018.db2.gz KRQAIHDTYHFLII-LLVKDONJSA-N 1 0 345.325 2.347 20 5 EEBDRO Nc1cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165305189 1321497647 /nfs/dbraw/zinc/49/76/47/1321497647.db2.gz KCCNJYVYJMOSGB-LLVKDONJSA-N 1 0 345.325 2.225 20 5 EEBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001166701574 1321769593 /nfs/dbraw/zinc/76/95/93/1321769593.db2.gz QZEDEUCGJYSEDP-LBPRGKRZSA-N 1 0 336.355 2.233 20 5 EEBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1(F)F ZINC001166962274 1321827062 /nfs/dbraw/zinc/82/70/62/1321827062.db2.gz VDOYVXVBLWTMEI-SNVBAGLBSA-N 1 0 343.721 2.364 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205224067 1322319897 /nfs/dbraw/zinc/31/98/97/1322319897.db2.gz LGYGFBAXDMPUKB-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO O=[N+]([O-])c1cnccc1Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001307197863 1331515911 /nfs/dbraw/zinc/51/59/11/1331515911.db2.gz GKJSJFGALIBHHX-INIZCTEOSA-N 1 0 339.399 2.440 20 5 EEBDRO CC(C)(C)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC001317890660 1332441882 /nfs/dbraw/zinc/44/18/82/1332441882.db2.gz BPZAMJVIXGYTMQ-UHFFFAOYSA-N 1 0 332.404 2.400 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318829989 1332606015 /nfs/dbraw/zinc/60/60/15/1332606015.db2.gz ZDFXBOCCMVMICT-HOTGVXAUSA-N 1 0 330.388 2.247 20 5 EEBDRO CC(C)c1[nH]nc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320327153 1332862574 /nfs/dbraw/zinc/86/25/74/1332862574.db2.gz JWHAJDNWIAOYLQ-SNVBAGLBSA-N 1 0 332.364 2.301 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC(CO)CC1 ZINC001320637163 1332926456 /nfs/dbraw/zinc/92/64/56/1332926456.db2.gz LWOMATZAKYEWIR-PTNGSMBKSA-N 1 0 333.432 2.292 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001322539141 1333278528 /nfs/dbraw/zinc/27/85/28/1333278528.db2.gz VFZSRELRSIMFQG-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001324418388 1333678231 /nfs/dbraw/zinc/67/82/31/1333678231.db2.gz VIMDOKCVVMNNAR-TZMCWYRMSA-N 1 0 341.433 2.283 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001327488021 1334300630 /nfs/dbraw/zinc/30/06/30/1334300630.db2.gz WMKGXCBLISTGJG-SECBINFHSA-N 1 0 348.325 2.411 20 5 EEBDRO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001335307009 1336362272 /nfs/dbraw/zinc/36/22/72/1336362272.db2.gz BFPYHZDNXOAYLZ-DLBZAZTESA-N 1 0 325.368 2.473 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC([NH2+]C4CCOCC4)CC3)nc2c1 ZINC001337266834 1336673497 /nfs/dbraw/zinc/67/34/97/1336673497.db2.gz GPLFWQXITWATAY-UHFFFAOYSA-N 1 0 345.403 2.209 20 5 EEBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001337276716 1336675141 /nfs/dbraw/zinc/67/51/41/1336675141.db2.gz ZPLXAXDLGKCEPN-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO CCOCCCNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849076951 1338835657 /nfs/dbraw/zinc/83/56/57/1338835657.db2.gz AKYVQLQSCMRIAN-UHFFFAOYSA-N 1 0 328.800 2.331 20 5 EEBDRO C[C@@H](C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001575070848 1343728438 /nfs/dbraw/zinc/72/84/38/1343728438.db2.gz UQIWWGRISUGDFA-NXEZZACHSA-N 1 0 345.321 2.198 20 5 EEBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC001575115581 1343737994 /nfs/dbraw/zinc/73/79/94/1343737994.db2.gz HWGNDDRXJZZSHF-KRWDZBQOSA-N 1 0 349.387 2.161 20 5 EEBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001575114943 1343738308 /nfs/dbraw/zinc/73/83/08/1343738308.db2.gz ACSYWTPNVHQBNY-KRWDZBQOSA-N 1 0 334.420 2.230 20 5 EEBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001576648007 1344044937 /nfs/dbraw/zinc/04/49/37/1344044937.db2.gz KRAIBDQVXWGAOG-RDBSUJKOSA-N 1 0 335.404 2.338 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001576749154 1344055349 /nfs/dbraw/zinc/05/53/49/1344055349.db2.gz QCWCWAIZVGXMSI-JRPNMDOOSA-N 1 0 331.376 2.121 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC001579734433 1344410975 /nfs/dbraw/zinc/41/09/75/1344410975.db2.gz TZMVJVRDZXRBHX-JOCQHMNTSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580770278 1344556544 /nfs/dbraw/zinc/55/65/44/1344556544.db2.gz KBYGTEDRFQPXOH-KOLCDFICSA-N 1 0 330.266 2.192 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001589136563 1348964229 /nfs/dbraw/zinc/96/42/29/1348964229.db2.gz SIONYHSUNBKNDE-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CC1CC[NH+](CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590270971 1349241522 /nfs/dbraw/zinc/24/15/22/1349241522.db2.gz DKBHBVFQNHYASB-UHFFFAOYSA-N 1 0 349.370 2.058 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590272106 1349243174 /nfs/dbraw/zinc/24/31/74/1349243174.db2.gz NKOMMRBQEJHFCS-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001593471297 1349807147 /nfs/dbraw/zinc/80/71/47/1349807147.db2.gz QPDRLTYXBIZIOZ-CYBMUJFWSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001593481748 1349812853 /nfs/dbraw/zinc/81/28/53/1349812853.db2.gz KAYVOHWGJRCTCA-UHFFFAOYSA-N 1 0 346.366 2.489 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001604006813 1350827856 /nfs/dbraw/zinc/82/78/56/1350827856.db2.gz JSRVPBAMDPWKPL-GFCCVEGCSA-N 1 0 345.407 2.004 20 5 EEBDRO O=C(/C=C\[C@H]1CCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835458018 1372626224 /nfs/dbraw/zinc/62/62/24/1372626224.db2.gz NDYZWMHLGIGZFE-YXVLKGNQSA-N 1 0 346.383 2.305 20 5 EEBDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001577236965 1403628528 /nfs/dbraw/zinc/62/85/28/1403628528.db2.gz OBYRQEUKWSFRON-SWLSCSKDSA-N 1 0 344.419 2.437 20 5 EEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580250906 1403854272 /nfs/dbraw/zinc/85/42/72/1403854272.db2.gz WRDPUWYVTHJUOG-VFZGTOFNSA-N 1 0 325.315 2.217 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001164672377 719446987 /nfs/dbraw/zinc/44/69/87/719446987.db2.gz RCRRVLLXWPFLMA-GJZGRUSLSA-N 1 0 348.790 2.316 20 5 EEBDRO CCn1nc(C)cc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167263355 757600144 /nfs/dbraw/zinc/60/01/44/757600144.db2.gz BVJSDGOPYIBSGM-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO Cc1nc(N)ccc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001167786718 770250379 /nfs/dbraw/zinc/25/03/79/770250379.db2.gz KATPHJKEZXZDPH-UHFFFAOYSA-N 1 0 345.403 2.433 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001135316618 783600782 /nfs/dbraw/zinc/60/07/82/783600782.db2.gz HTJXHYYYWBJTBS-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO C[N+](C)(C)CCOC[C@@H]1COc2cc(Br)ccc2O1 ZINC001224775570 785166612 /nfs/dbraw/zinc/16/66/12/785166612.db2.gz MSPUIPJRVAPQQE-GFCCVEGCSA-N 1 0 331.230 2.312 20 5 EEBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000818340444 785245935 /nfs/dbraw/zinc/24/59/35/785245935.db2.gz MNWGOFXGCALGIW-ZWKOPEQDSA-N 1 0 340.811 2.435 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818518101 785269001 /nfs/dbraw/zinc/26/90/01/785269001.db2.gz CPDJTPAKZUJMBN-XPTSAGLGSA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@@H](O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000819130509 785435963 /nfs/dbraw/zinc/43/59/63/785435963.db2.gz IXLOJDNBNXMHEF-DYVFJYSZSA-N 1 0 346.383 2.178 20 5 EEBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819201830 785458909 /nfs/dbraw/zinc/45/89/09/785458909.db2.gz WJXUHVREMZIWRV-WMLDXEAASA-N 1 0 344.367 2.230 20 5 EEBDRO COc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000820669894 786011979 /nfs/dbraw/zinc/01/19/79/786011979.db2.gz CAAOWVMQTHDGRM-CQSZACIVSA-N 1 0 335.404 2.070 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107321626 786858718 /nfs/dbraw/zinc/85/87/18/786858718.db2.gz HQJXWSSECFSBOF-AATRIKPKSA-N 1 0 334.420 2.329 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1nccc(C)c1[N+](=O)[O-] ZINC001107391507 787104504 /nfs/dbraw/zinc/10/45/04/787104504.db2.gz JPPDQONNUCPYKF-BQYQJAHWSA-N 1 0 349.435 2.113 20 5 EEBDRO COc1cc(Cc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000822861756 787441323 /nfs/dbraw/zinc/44/13/23/787441323.db2.gz FTCPYFVCAJPALY-BZNIZROVSA-N 1 0 330.344 2.044 20 5 EEBDRO Cc1cc(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001109652823 805829903 /nfs/dbraw/zinc/82/99/03/805829903.db2.gz DGOVKHZVZWULRU-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000912815633 788391968 /nfs/dbraw/zinc/39/19/68/788391968.db2.gz OFTVUJMKAPBIKF-DOMZBBRYSA-N 1 0 334.420 2.369 20 5 EEBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913294246 788771877 /nfs/dbraw/zinc/77/18/77/788771877.db2.gz JNYKOAJTTLAGKW-CALCHBBNSA-N 1 0 349.456 2.487 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923445002 789554517 /nfs/dbraw/zinc/55/45/17/789554517.db2.gz SRKJACJKLUUPOS-HZSPNIEDSA-N 1 0 334.420 2.303 20 5 EEBDRO O=C(NOCc1cccnc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000153235285 795758973 /nfs/dbraw/zinc/75/89/73/795758973.db2.gz SPAAGLOKFMRGCQ-UHFFFAOYSA-N 1 0 339.311 2.037 20 5 EEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000915624034 796342489 /nfs/dbraw/zinc/34/24/89/796342489.db2.gz YDEOPJGIQZSTKQ-LBPRGKRZSA-N 1 0 339.417 2.030 20 5 EEBDRO C[NH+](C)Cc1ccoc1C(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094738254 796554747 /nfs/dbraw/zinc/55/47/47/796554747.db2.gz PAUXXLXPHOBWNZ-UHFFFAOYSA-N 1 0 346.387 2.481 20 5 EEBDRO Cc1cc(NCCCNC(=O)C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001094853532 796782349 /nfs/dbraw/zinc/78/23/49/796782349.db2.gz QQQDUHSIQOFDKV-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnco1 ZINC001001693084 797119455 /nfs/dbraw/zinc/11/94/55/797119455.db2.gz SRLROBUNSIFZIL-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO CCN1C[C@@H](C)[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172921821 797152038 /nfs/dbraw/zinc/15/20/38/797152038.db2.gz UKAYMMYSJHMJPC-CZUORRHYSA-N 1 0 331.416 2.395 20 5 EEBDRO O=c1[nH]n([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2c1C[NH2+]CC2 ZINC001172921852 797152102 /nfs/dbraw/zinc/15/21/02/797152102.db2.gz UUMVJPHRAGUVNQ-CYBMUJFWSA-N 1 0 328.372 2.263 20 5 EEBDRO COc1nccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172911565 797169762 /nfs/dbraw/zinc/16/97/62/797169762.db2.gz JUQQTLDVWJPYBA-AWEZNQCLSA-N 1 0 328.372 2.431 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cccnn3)CC2)c(F)c1 ZINC001173012208 797196072 /nfs/dbraw/zinc/19/60/72/797196072.db2.gz QBWISFQCHOXRNC-UHFFFAOYSA-N 1 0 349.341 2.422 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1F ZINC001173175345 797276444 /nfs/dbraw/zinc/27/64/44/797276444.db2.gz ALTPDUDQZNRQOL-SRVKXCTJSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2noc(C)n2)c1F ZINC001173176662 797277415 /nfs/dbraw/zinc/27/74/15/797277415.db2.gz LIXLBGBSEUOPCV-SECBINFHSA-N 1 0 338.339 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1F ZINC001173181325 797279564 /nfs/dbraw/zinc/27/95/64/797279564.db2.gz OMZKOWPRZPNVPA-VHRBIJSZSA-N 1 0 344.358 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH+]3CCC2CC3)c1F ZINC001173196804 797283523 /nfs/dbraw/zinc/28/35/23/797283523.db2.gz PBLJICSUOAMMMO-LBPRGKRZSA-N 1 0 337.395 2.454 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C(=O)NCc2ccccc21 ZINC001173231534 797301588 /nfs/dbraw/zinc/30/15/88/797301588.db2.gz ANGFRANVJYEYKK-YVEFUNNKSA-N 1 0 325.368 2.487 20 5 EEBDRO CCC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1 ZINC001173225646 797309324 /nfs/dbraw/zinc/30/93/24/797309324.db2.gz UBIASMQYCUBJGD-ZDUSSCGKSA-N 1 0 340.445 2.473 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccncn2)CC1 ZINC001173231187 797312253 /nfs/dbraw/zinc/31/22/53/797312253.db2.gz KIOHCGOTUYGZPH-AWEZNQCLSA-N 1 0 327.388 2.138 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@H](C)[NH2+]1 ZINC000153880600 797542958 /nfs/dbraw/zinc/54/29/58/797542958.db2.gz NWVLJMVGGQUASA-ZIAGYGMSSA-N 1 0 346.431 2.408 20 5 EEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925430280 797753346 /nfs/dbraw/zinc/75/33/46/797753346.db2.gz LITJFMGQWQTGJG-GDBMZVCRSA-N 1 0 332.404 2.188 20 5 EEBDRO [NH3+][C@H]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC001166960453 798397452 /nfs/dbraw/zinc/39/74/52/798397452.db2.gz JDHPJAHXUMVOQE-ZETCQYMHSA-N 1 0 327.118 2.469 20 5 EEBDRO O=C(CCCn1cccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176790110 798563705 /nfs/dbraw/zinc/56/37/05/798563705.db2.gz HGPVLXDUSATIFZ-UHFFFAOYSA-N 1 0 344.415 2.473 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001168715757 800010202 /nfs/dbraw/zinc/01/02/02/800010202.db2.gz XMHNNIDUTNRWHS-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000828304196 800672531 /nfs/dbraw/zinc/67/25/31/800672531.db2.gz HFZNCOSPJXSIKZ-OAHLLOKOSA-N 1 0 329.356 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000922796905 801922643 /nfs/dbraw/zinc/92/26/43/801922643.db2.gz CDDOKDLAHDALJA-UHFFFAOYSA-N 1 0 344.314 2.439 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001086013170 801940187 /nfs/dbraw/zinc/94/01/87/801940187.db2.gz IIURUZDGFIUIOI-XBXGTLAGSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168986114 803541874 /nfs/dbraw/zinc/54/18/74/803541874.db2.gz VYOUABSKRLHFTJ-BZSNNMDCSA-N 1 0 345.443 2.255 20 5 EEBDRO O=C(NC1CCCC1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990386 803573844 /nfs/dbraw/zinc/57/38/44/803573844.db2.gz CEYAJECLFIQJCC-CJNGLKHVSA-N 1 0 338.452 2.138 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018258 803587287 /nfs/dbraw/zinc/58/72/87/803587287.db2.gz AGNMVOBMDBTHOM-RDJZCZTQSA-N 1 0 345.443 2.104 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)C1 ZINC001169022000 803588584 /nfs/dbraw/zinc/58/85/84/803588584.db2.gz MCCFRAUDVFFDSV-ONIAQPFYSA-N 1 0 347.415 2.139 20 5 EEBDRO COc1cccnc1N([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169057625 803597624 /nfs/dbraw/zinc/59/76/24/803597624.db2.gz WJRWXSCYCCICFP-ZFWWWQNUSA-N 1 0 334.420 2.094 20 5 EEBDRO CC1(C)C[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C[C@](C)(C[NH3+])C1 ZINC001169140429 803643699 /nfs/dbraw/zinc/64/36/99/803643699.db2.gz GFERQBJTLILOPM-BMIGLBTASA-N 1 0 326.372 2.323 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790626211 808848910 /nfs/dbraw/zinc/84/89/10/808848910.db2.gz DFVJKWYAEUHSOG-UHFFFAOYSA-N 1 0 331.775 2.386 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000808190730 812505818 /nfs/dbraw/zinc/50/58/18/812505818.db2.gz IHRDZSLXJJHBRV-CZUORRHYSA-N 1 0 329.404 2.461 20 5 EEBDRO Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001517936457 1119047947 /nfs/dbraw/zinc/04/79/47/1119047947.db2.gz JEPIVDIZWKQIPC-CQSZACIVSA-N 1 0 348.403 2.089 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001521229979 1119225773 /nfs/dbraw/zinc/22/57/73/1119225773.db2.gz REGKAJXJXWRJMF-NFAWXSAZSA-N 1 0 347.415 2.340 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189616451 529562768 /nfs/dbraw/zinc/56/27/68/529562768.db2.gz LRCBCBNQTWZZJD-INIZCTEOSA-N 1 0 332.360 2.382 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237059244 290721310 /nfs/dbraw/zinc/72/13/10/290721310.db2.gz JZIPMYAQIHDUGG-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Cl ZINC000178024723 232063028 /nfs/dbraw/zinc/06/30/28/232063028.db2.gz LQESSMSEESRDII-CQSZACIVSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000179718587 233365110 /nfs/dbraw/zinc/36/51/10/233365110.db2.gz QXLUGDXNRCLSHC-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262820400 291079797 /nfs/dbraw/zinc/07/97/97/291079797.db2.gz GTLNBWQJPCXBOQ-JSGCOSHPSA-N 1 0 332.404 2.065 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000342236682 283237562 /nfs/dbraw/zinc/23/75/62/283237562.db2.gz AWMRORTZJATENI-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186796606 236024064 /nfs/dbraw/zinc/02/40/64/236024064.db2.gz QFCUQFIYMZKJAV-CYBMUJFWSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071911876 215957420 /nfs/dbraw/zinc/95/74/20/215957420.db2.gz BNGJYDRTTUONDI-YOEHRIQHSA-N 1 0 346.431 2.482 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000416305127 239176679 /nfs/dbraw/zinc/17/66/79/239176679.db2.gz ANBHCKALSVBCRL-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000422778965 240222554 /nfs/dbraw/zinc/22/25/54/240222554.db2.gz BHZNSAYVFGXYEF-LLVKDONJSA-N 1 0 328.372 2.342 20 5 EEBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000423983975 240770515 /nfs/dbraw/zinc/77/05/15/240770515.db2.gz WEIHKJQGGBEGKF-DLBZAZTESA-N 1 0 339.395 2.318 20 5 EEBDRO CCOCC[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450313739 242784921 /nfs/dbraw/zinc/78/49/21/242784921.db2.gz RVIKWNSJPWRIFQ-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543144 243151587 /nfs/dbraw/zinc/15/15/87/243151587.db2.gz AZOYLCBASFWIJC-WMLDXEAASA-N 1 0 336.388 2.088 20 5 EEBDRO CNc1nc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000455995944 244127939 /nfs/dbraw/zinc/12/79/39/244127939.db2.gz NJNPKSCFOPMGJV-CYBMUJFWSA-N 1 0 349.435 2.129 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262565451 245037318 /nfs/dbraw/zinc/03/73/18/245037318.db2.gz CQHRTGNGHDCWAQ-NSHDSACASA-N 1 0 346.412 2.448 20 5 EEBDRO COC(=O)CC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000459384525 245100259 /nfs/dbraw/zinc/10/02/59/245100259.db2.gz DDZKJSXKLANFFE-UHFFFAOYSA-N 1 0 338.360 2.058 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459764435 245240610 /nfs/dbraw/zinc/24/06/10/245240610.db2.gz ONUPXJZADPDSEN-LSDHHAIUSA-N 1 0 349.387 2.089 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CCCC1 ZINC000471616288 245380835 /nfs/dbraw/zinc/38/08/35/245380835.db2.gz AOUHYZFUZFRVAU-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079318237 217208289 /nfs/dbraw/zinc/20/82/89/217208289.db2.gz ORKODHHINDHHMM-OAHLLOKOSA-N 1 0 348.447 2.412 20 5 EEBDRO Nc1nc(Nc2cccc(C[NH+]3CCSCC3)c2)ncc1[N+](=O)[O-] ZINC000264067435 246034119 /nfs/dbraw/zinc/03/41/19/246034119.db2.gz AXPJMECXOBIWBC-UHFFFAOYSA-N 1 0 346.416 2.259 20 5 EEBDRO C[N@@H+](Cc1csc2ccccc12)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266395942 248281105 /nfs/dbraw/zinc/28/11/05/248281105.db2.gz DDNQFLSGZUMCLF-CQSZACIVSA-N 1 0 346.412 2.499 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000012141580 211302698 /nfs/dbraw/zinc/30/26/98/211302698.db2.gz HBPCTWUWSUSWEM-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO COCCOC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116886282 221004093 /nfs/dbraw/zinc/00/40/93/221004093.db2.gz XWJXMHNHXSYYKA-UHFFFAOYSA-N 1 0 338.404 2.491 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000267939305 256098284 /nfs/dbraw/zinc/09/82/84/256098284.db2.gz HCVRCABAEKOCDM-CYBMUJFWSA-N 1 0 348.403 2.163 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000270457523 256137408 /nfs/dbraw/zinc/13/74/08/256137408.db2.gz LTZVVEAFYAZZBE-NSHDSACASA-N 1 0 339.417 2.369 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC000270961204 256192800 /nfs/dbraw/zinc/19/28/00/256192800.db2.gz XQYRLDNSAXCIMW-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO COc1ccc(OCC[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000272910182 256248540 /nfs/dbraw/zinc/24/85/40/256248540.db2.gz HHIJYSYPRZQLLY-UHFFFAOYSA-N 1 0 338.404 2.467 20 5 EEBDRO CCC(CC)[N@H+](CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039263 256259301 /nfs/dbraw/zinc/25/93/01/256259301.db2.gz ONYNOBFRRQBZPN-OAHLLOKOSA-N 1 0 340.420 2.472 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000273602538 256310846 /nfs/dbraw/zinc/31/08/46/256310846.db2.gz JTCHHUNLAWGWIQ-HNNXBMFYSA-N 1 0 327.388 2.486 20 5 EEBDRO Cc1ccncc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273639615 256314058 /nfs/dbraw/zinc/31/40/58/256314058.db2.gz XYWKHWATXSRPQB-CYBMUJFWSA-N 1 0 349.412 2.423 20 5 EEBDRO CCOc1cccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000273872895 256334490 /nfs/dbraw/zinc/33/44/90/256334490.db2.gz OYDOTWVCTRHZNE-OCCSQVGLSA-N 1 0 325.434 2.475 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000273408926 256293977 /nfs/dbraw/zinc/29/39/77/256293977.db2.gz SMDVICGPSDFIMJ-LLVKDONJSA-N 1 0 347.375 2.016 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274076291 256351964 /nfs/dbraw/zinc/35/19/64/256351964.db2.gz RXHXYUVEXOREFE-VXGBXAGGSA-N 1 0 337.376 2.101 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119512486 221337146 /nfs/dbraw/zinc/33/71/46/221337146.db2.gz WXZILQUABQACSB-FNORWQNLSA-N 1 0 344.459 2.321 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000155912148 224493631 /nfs/dbraw/zinc/49/36/31/224493631.db2.gz PORVOBRCVWWWMH-GXTWGEPZSA-N 1 0 332.404 2.042 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCCC2=O)c1 ZINC000181395710 533406844 /nfs/dbraw/zinc/40/68/44/533406844.db2.gz KGDBUWPTSORPNL-CYBMUJFWSA-N 1 0 343.387 2.269 20 5 EEBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000057151652 132198713 /nfs/dbraw/zinc/19/87/13/132198713.db2.gz WLMSMEXDIDOALK-UHFFFAOYSA-N 1 0 336.411 2.198 20 5 EEBDRO CCN(CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000127915782 292332645 /nfs/dbraw/zinc/33/26/45/292332645.db2.gz MFHMPKYVMUTNEW-UHFFFAOYSA-N 1 0 345.403 2.283 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000249279987 160377551 /nfs/dbraw/zinc/37/75/51/160377551.db2.gz NANNISJBUABXIG-RISCZKNCSA-N 1 0 334.376 2.161 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261965747 160429959 /nfs/dbraw/zinc/42/99/59/160429959.db2.gz MVYDCOVLVAVWBL-OUAUKWLOSA-N 1 0 341.795 2.211 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000076315738 159083339 /nfs/dbraw/zinc/08/33/39/159083339.db2.gz KWYRHJXGSQDLPA-INIZCTEOSA-N 1 0 335.404 2.004 20 5 EEBDRO CC(C)OCC[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000081636887 159156315 /nfs/dbraw/zinc/15/63/15/159156315.db2.gz BMIIPPPIPXAGRL-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO CSc1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000186344806 160068096 /nfs/dbraw/zinc/06/80/96/160068096.db2.gz AKFBMOCNRXKTTG-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO COC(=O)c1cnc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000190165018 160155745 /nfs/dbraw/zinc/15/57/45/160155745.db2.gz JXWJCFHUKXEKON-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000245397116 160231271 /nfs/dbraw/zinc/23/12/71/160231271.db2.gz NXWYDAYZAWNHKD-LSDHHAIUSA-N 1 0 346.431 2.400 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245465850 160237606 /nfs/dbraw/zinc/23/76/06/160237606.db2.gz YPVHOXGZBWBGHM-KGLIPLIRSA-N 1 0 334.420 2.195 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000248217411 160340529 /nfs/dbraw/zinc/34/05/29/160340529.db2.gz ZWKOCDLNHNZTEG-XHDPSFHLSA-N 1 0 343.387 2.027 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000248217407 160340573 /nfs/dbraw/zinc/34/05/73/160340573.db2.gz ZWKOCDLNHNZTEG-IAQYHMDHSA-N 1 0 343.387 2.027 20 5 EEBDRO C[NH+](C)CCc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000341711120 161007668 /nfs/dbraw/zinc/00/76/68/161007668.db2.gz CFZCCYLKLKQRES-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000342213133 161048213 /nfs/dbraw/zinc/04/82/13/161048213.db2.gz WGQGWPJOJOEELO-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000342734622 161086606 /nfs/dbraw/zinc/08/66/06/161086606.db2.gz MAJGYYVNZLIGCE-VBNZEHGJSA-N 1 0 331.416 2.458 20 5 EEBDRO CNc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000342738413 161087052 /nfs/dbraw/zinc/08/70/52/161087052.db2.gz JGLPCWMFXSGDKQ-OLZOCXBDSA-N 1 0 332.404 2.335 20 5 EEBDRO CNc1c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000342738412 161087139 /nfs/dbraw/zinc/08/71/39/161087139.db2.gz JGLPCWMFXSGDKQ-CHWSQXEVSA-N 1 0 332.404 2.335 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343833618 161172164 /nfs/dbraw/zinc/17/21/64/161172164.db2.gz RNPPHECEEWDVOS-LSDHHAIUSA-N 1 0 338.404 2.129 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346125775 161359249 /nfs/dbraw/zinc/35/92/49/161359249.db2.gz AMGLXLREIXQGNA-NWDGAFQWSA-N 1 0 337.424 2.263 20 5 EEBDRO NC(=O)c1ccc(CN(CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000352509505 162164742 /nfs/dbraw/zinc/16/47/42/162164742.db2.gz KZZLOITWHCVUKM-UHFFFAOYSA-N 1 0 334.420 2.035 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000358014610 163813515 /nfs/dbraw/zinc/81/35/15/163813515.db2.gz NXUQWPMMMPJWOQ-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO CC1CC[NH+](CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000153965959 292514794 /nfs/dbraw/zinc/51/47/94/292514794.db2.gz PNTBCIISWFKNMM-OAHLLOKOSA-N 1 0 333.436 2.208 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368238756 166074596 /nfs/dbraw/zinc/07/45/96/166074596.db2.gz CHJFJOHUAKMSJZ-WCVJEAGWSA-N 1 0 336.436 2.443 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000369067103 166182659 /nfs/dbraw/zinc/18/26/59/166182659.db2.gz UDZKVYPDKNTDHB-CQSZACIVSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000369771333 166328635 /nfs/dbraw/zinc/32/86/35/166328635.db2.gz GTDJBPLBLDHERA-IAGOWNOFSA-N 1 0 340.383 2.126 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000374429925 167040724 /nfs/dbraw/zinc/04/07/24/167040724.db2.gz QOQIJWSICUXFIC-NXHRZFHOSA-N 1 0 349.431 2.157 20 5 EEBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000120602045 221623697 /nfs/dbraw/zinc/62/36/97/221623697.db2.gz DCZMGIXAYCEVBT-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122658460 222132801 /nfs/dbraw/zinc/13/28/01/222132801.db2.gz NEHCPMNZLIBRDL-DTWKUNHWSA-N 1 0 342.193 2.180 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160222207 533687514 /nfs/dbraw/zinc/68/75/14/533687514.db2.gz WKHQQTBMUWJYAV-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238131259 268667851 /nfs/dbraw/zinc/66/78/51/268667851.db2.gz VUJKPLAQEPXQFE-KCXAZCMYSA-N 1 0 332.404 2.044 20 5 EEBDRO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272780298 269019852 /nfs/dbraw/zinc/01/98/52/269019852.db2.gz RXCNSQHPVIOEIU-LLVKDONJSA-N 1 0 339.342 2.453 20 5 EEBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279294434 269268565 /nfs/dbraw/zinc/26/85/65/269268565.db2.gz KQYJAIFZILYLHB-LBPRGKRZSA-N 1 0 331.294 2.324 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280184107 269335858 /nfs/dbraw/zinc/33/58/58/269335858.db2.gz AJSOKZCKOUBRIU-CFVMTHIKSA-N 1 0 338.404 2.289 20 5 EEBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000280202150 269337759 /nfs/dbraw/zinc/33/77/59/269337759.db2.gz JXSYOEOCIMWMGM-UHFFFAOYSA-N 1 0 344.415 2.187 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284048686 269566880 /nfs/dbraw/zinc/56/68/80/269566880.db2.gz QFVVYESSJIRGIE-UHFFFAOYSA-N 1 0 326.372 2.168 20 5 EEBDRO CNc1nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455723268 273975654 /nfs/dbraw/zinc/97/56/54/273975654.db2.gz ZJAAMTOLBIQEIU-CYBMUJFWSA-N 1 0 347.419 2.122 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892894 274119068 /nfs/dbraw/zinc/11/90/68/274119068.db2.gz BXYADEIUFGTYDB-DANNLKNASA-N 1 0 345.399 2.469 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000277586783 274315012 /nfs/dbraw/zinc/31/50/12/274315012.db2.gz MTDHMVBGHGERJH-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000278743065 274398180 /nfs/dbraw/zinc/39/81/80/274398180.db2.gz VPDDRKRSCJCHJF-SJKOYZFVSA-N 1 0 332.356 2.484 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000286020436 274828310 /nfs/dbraw/zinc/82/83/10/274828310.db2.gz HKEVPBLQVMOVCQ-SMDDNHRTSA-N 1 0 339.367 2.203 20 5 EEBDRO CCOC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286223096 274849823 /nfs/dbraw/zinc/84/98/23/274849823.db2.gz QZHDHOSMNSVBQB-OAHLLOKOSA-N 1 0 344.433 2.019 20 5 EEBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287930416 275006900 /nfs/dbraw/zinc/00/69/00/275006900.db2.gz QMHHBPNVDOVQIE-NHYWBVRUSA-N 1 0 344.371 2.117 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364388762 275034501 /nfs/dbraw/zinc/03/45/01/275034501.db2.gz SYGLQFHXCOLZBB-NVXWUHKLSA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000420247670 275037021 /nfs/dbraw/zinc/03/70/21/275037021.db2.gz PBRWYROVLNFSRJ-BETUJISGSA-N 1 0 328.347 2.452 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000266029559 275041999 /nfs/dbraw/zinc/04/19/99/275041999.db2.gz RMQMIOUKWPXTPY-KRWDZBQOSA-N 1 0 330.388 2.163 20 5 EEBDRO CN(C)C(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000289369332 275111807 /nfs/dbraw/zinc/11/18/07/275111807.db2.gz LFNXFLWHZCBAAX-UHFFFAOYSA-N 1 0 330.388 2.299 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000290196288 275188417 /nfs/dbraw/zinc/18/84/17/275188417.db2.gz MKPPETXRSHEMTN-LLVKDONJSA-N 1 0 347.412 2.133 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000290592085 275221049 /nfs/dbraw/zinc/22/10/49/275221049.db2.gz MLCCCVWTXFLUME-GFCCVEGCSA-N 1 0 339.440 2.035 20 5 EEBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000291223887 275283926 /nfs/dbraw/zinc/28/39/26/275283926.db2.gz LSVATLORASYZIT-NWDGAFQWSA-N 1 0 339.392 2.287 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000157252308 277182638 /nfs/dbraw/zinc/18/26/38/277182638.db2.gz RIIXWSNJKULJPJ-ABAIWWIYSA-N 1 0 348.359 2.059 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000488713370 277186575 /nfs/dbraw/zinc/18/65/75/277186575.db2.gz COWWWWXOJLQSAS-INIZCTEOSA-N 1 0 329.360 2.177 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713466 277283717 /nfs/dbraw/zinc/28/37/17/277283717.db2.gz WVHJWXYNQXJUBK-SECBINFHSA-N 1 0 329.198 2.188 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000359203812 278893685 /nfs/dbraw/zinc/89/36/85/278893685.db2.gz UYDINQTWFWMITF-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000265076788 279057288 /nfs/dbraw/zinc/05/72/88/279057288.db2.gz YSBYYXGGEPLPCW-UHFFFAOYSA-N 1 0 329.784 2.280 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422636668 281261133 /nfs/dbraw/zinc/26/11/33/281261133.db2.gz NJSYPBYNYQYXJA-MCIONIFRSA-N 1 0 334.420 2.147 20 5 EEBDRO COC(=O)c1cc(C)nc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000283694591 292975527 /nfs/dbraw/zinc/97/55/27/292975527.db2.gz ZGEFHMZJSRYHGE-UHFFFAOYSA-N 1 0 348.403 2.149 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+](C2CCC2)C1 ZINC000293684319 293270335 /nfs/dbraw/zinc/27/03/35/293270335.db2.gz LSOBVOXQJZTOEV-LBPRGKRZSA-N 1 0 332.404 2.123 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000294027769 293352742 /nfs/dbraw/zinc/35/27/42/293352742.db2.gz JUMMLBIKQQMWKD-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000297149690 294165073 /nfs/dbraw/zinc/16/50/73/294165073.db2.gz OGFYSEDXLOGBMP-GXTWGEPZSA-N 1 0 337.424 2.242 20 5 EEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297405442 294235046 /nfs/dbraw/zinc/23/50/46/294235046.db2.gz CMXXXHNFBSSMJM-OKZBNKHCSA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000299320430 294714146 /nfs/dbraw/zinc/71/41/46/294714146.db2.gz FCJHKVNUAZVGTE-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301542382 294867048 /nfs/dbraw/zinc/86/70/48/294867048.db2.gz CPBGNGVHZAMAHI-AWEZNQCLSA-N 1 0 333.388 2.446 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000301688943 294883276 /nfs/dbraw/zinc/88/32/76/294883276.db2.gz MWHHXTNTNCQACC-LLVKDONJSA-N 1 0 339.193 2.203 20 5 EEBDRO C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301903428 294909500 /nfs/dbraw/zinc/90/95/00/294909500.db2.gz XHAXACVGDPUYPP-LLVKDONJSA-N 1 0 343.449 2.387 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(C[NH+](C)C)CCCC1 ZINC000302177904 294937798 /nfs/dbraw/zinc/93/77/98/294937798.db2.gz XWVIIAMZNDIYBB-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000166405291 311391451 /nfs/dbraw/zinc/39/14/51/311391451.db2.gz BXUDBHMWABZVOP-UHFFFAOYSA-N 1 0 345.403 2.052 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332399479 312001341 /nfs/dbraw/zinc/00/13/41/312001341.db2.gz RRHOZWVXNXOSIL-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1cc(CN[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414898402 313109362 /nfs/dbraw/zinc/10/93/62/313109362.db2.gz SYVBWEHWGBFXDW-VIFPVBQESA-N 1 0 333.335 2.074 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC[NH2+]CC1 ZINC000414952004 313113975 /nfs/dbraw/zinc/11/39/75/313113975.db2.gz QJMLKBDVEYCARN-UHFFFAOYSA-N 1 0 330.291 2.070 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000415762280 313181007 /nfs/dbraw/zinc/18/10/07/313181007.db2.gz MPNAYTKEZJSUEI-MRXNPFEDSA-N 1 0 336.392 2.047 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000416500572 313239101 /nfs/dbraw/zinc/23/91/01/313239101.db2.gz HKMIRIXPDZGUSN-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417948573 313663536 /nfs/dbraw/zinc/66/35/36/313663536.db2.gz UFRWXWGDLNJIKH-QGZVFWFLSA-N 1 0 346.431 2.311 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087429 313708570 /nfs/dbraw/zinc/70/85/70/313708570.db2.gz HBQJFMPWWMKAKJ-SECBINFHSA-N 1 0 348.325 2.411 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420940746 314003779 /nfs/dbraw/zinc/00/37/79/314003779.db2.gz NDXVLFQCSWGJIF-GXTWGEPZSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000422638727 314297912 /nfs/dbraw/zinc/29/79/12/314297912.db2.gz RGKCMADODZUYBY-DYEKYZERSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430639222 314563811 /nfs/dbraw/zinc/56/38/11/314563811.db2.gz OPJWBZVYWIJOCT-SMDDNHRTSA-N 1 0 331.376 2.347 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000432994630 314739040 /nfs/dbraw/zinc/73/90/40/314739040.db2.gz ALMLKRZMAFJGKW-DGAVXFQQSA-N 1 0 336.392 2.206 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000433238189 314756536 /nfs/dbraw/zinc/75/65/36/314756536.db2.gz DVNMEGVTVWNJKL-OAHLLOKOSA-N 1 0 343.387 2.060 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448726047 315382237 /nfs/dbraw/zinc/38/22/37/315382237.db2.gz RDLHIHFZMLEAFK-LSDHHAIUSA-N 1 0 345.399 2.301 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000514602163 316401829 /nfs/dbraw/zinc/40/18/29/316401829.db2.gz NFHUXGOQIXCQCT-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000517378162 316664624 /nfs/dbraw/zinc/66/46/24/316664624.db2.gz PWBKREYBJLDEJH-INIZCTEOSA-N 1 0 329.400 2.476 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000525785001 317076372 /nfs/dbraw/zinc/07/63/72/317076372.db2.gz SXXCFYBMOFVZPI-OAHLLOKOSA-N 1 0 348.378 2.171 20 5 EEBDRO CCCC(CCC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540138983 318071145 /nfs/dbraw/zinc/07/11/45/318071145.db2.gz IAIYLPYIDUVLJH-UHFFFAOYSA-N 1 0 343.449 2.432 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000541107257 318093144 /nfs/dbraw/zinc/09/31/44/318093144.db2.gz URTPWADWSLYEQX-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000563446835 319012496 /nfs/dbraw/zinc/01/24/96/319012496.db2.gz YSJPNNBTTFTASJ-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO COC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000567709982 319409071 /nfs/dbraw/zinc/40/90/71/319409071.db2.gz FBSVDRSDQNEAFG-CQSZACIVSA-N 1 0 338.404 2.273 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154750 319550912 /nfs/dbraw/zinc/55/09/12/319550912.db2.gz NWCCYCSUPSEDSI-RYUDHWBXSA-N 1 0 343.387 2.307 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cccs2)cc1 ZINC000574313229 320014448 /nfs/dbraw/zinc/01/44/48/320014448.db2.gz RHAUHDPVLJLQMX-UHFFFAOYSA-N 1 0 340.426 2.262 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000182319168 323372278 /nfs/dbraw/zinc/37/22/78/323372278.db2.gz QYPUFYFHURDNFF-GDBMZVCRSA-N 1 0 333.388 2.031 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389757986 323543533 /nfs/dbraw/zinc/54/35/33/323543533.db2.gz SNWFYSHJXWGZIM-UFBFGSQYSA-N 1 0 342.193 2.085 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1COCc2ccccc21 ZINC000581066874 324178706 /nfs/dbraw/zinc/17/87/06/324178706.db2.gz LKBQIWASBDGCDE-HOCLYGCPSA-N 1 0 344.367 2.196 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000491347820 448000651 /nfs/dbraw/zinc/00/06/51/448000651.db2.gz DOUHIXBFFOFKMT-FPLPWBNLSA-N 1 0 329.360 2.005 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165902240 463649215 /nfs/dbraw/zinc/64/92/15/463649215.db2.gz OIZUIPVXWMYSOF-NSHDSACASA-N 1 0 344.209 2.461 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000296143377 465093780 /nfs/dbraw/zinc/09/37/80/465093780.db2.gz RZIXYMZQSWFFDR-GFCCVEGCSA-N 1 0 343.387 2.051 20 5 EEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358388483 465094954 /nfs/dbraw/zinc/09/49/54/465094954.db2.gz DRLNPOPPVYIBNN-WFASDCNBSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000351522263 465201675 /nfs/dbraw/zinc/20/16/75/465201675.db2.gz JVTWEISZKQLMBR-BBRMVZONSA-N 1 0 332.360 2.286 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351616902 465253883 /nfs/dbraw/zinc/25/38/83/465253883.db2.gz BGBADGUBRQNHAF-GXTWGEPZSA-N 1 0 335.404 2.325 20 5 EEBDRO CCOc1cc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000339426959 465263641 /nfs/dbraw/zinc/26/36/41/465263641.db2.gz DJTWDYBVSSPSPH-OAHLLOKOSA-N 1 0 348.447 2.115 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000358698699 465272044 /nfs/dbraw/zinc/27/20/44/465272044.db2.gz MBDLZUDOKBKFNR-ZYHUDNBSSA-N 1 0 341.795 2.226 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000590632611 468292994 /nfs/dbraw/zinc/29/29/94/468292994.db2.gz PUNXLLCKHPCCBY-OAHLLOKOSA-N 1 0 345.399 2.158 20 5 EEBDRO O=C1NCCN1C1CC[NH+](CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000127577162 462566204 /nfs/dbraw/zinc/56/62/04/462566204.db2.gz PUNSWBIMCGXINE-HWKANZROSA-N 1 0 330.388 2.098 20 5 EEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087304186 462599366 /nfs/dbraw/zinc/59/93/66/462599366.db2.gz ICTXAUUISMXPAR-KRWDZBQOSA-N 1 0 349.431 2.097 20 5 EEBDRO CCOC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000113938768 462617774 /nfs/dbraw/zinc/61/77/74/462617774.db2.gz ZMBZGYBFLLUSHU-WMLDXEAASA-N 1 0 347.415 2.449 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128472446 462642070 /nfs/dbraw/zinc/64/20/70/462642070.db2.gz BYWUNIXECXZCJN-ZDUSSCGKSA-N 1 0 338.383 2.089 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCCC1 ZINC000075723153 462754944 /nfs/dbraw/zinc/75/49/44/462754944.db2.gz QRBFEYQPSFZKRA-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075777474 462757994 /nfs/dbraw/zinc/75/79/94/462757994.db2.gz VTKPOTWVUVBUKR-LJQANCHMSA-N 1 0 341.411 2.104 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000155334564 462876330 /nfs/dbraw/zinc/87/63/30/462876330.db2.gz YRCDIFVRXPUJLF-BBRMVZONSA-N 1 0 335.379 2.219 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091453705 462880745 /nfs/dbraw/zinc/88/07/45/462880745.db2.gz XDYMJACBQBIJCW-CYBMUJFWSA-N 1 0 335.404 2.293 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076774535 462908465 /nfs/dbraw/zinc/90/84/65/462908465.db2.gz LRXFAIMENVQCTG-ZDUSSCGKSA-N 1 0 348.403 2.217 20 5 EEBDRO COc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1[N+](=O)[O-] ZINC000155607851 462917267 /nfs/dbraw/zinc/91/72/67/462917267.db2.gz DWLOCVXUTBFHLW-UHFFFAOYSA-N 1 0 331.376 2.107 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000155663151 462925439 /nfs/dbraw/zinc/92/54/39/462925439.db2.gz IJEJCSIFKATSFG-AWEZNQCLSA-N 1 0 336.348 2.140 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000016599282 462982809 /nfs/dbraw/zinc/98/28/09/462982809.db2.gz WXBWGJGIZPWAEB-INIZCTEOSA-N 1 0 343.383 2.393 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000018179120 463008210 /nfs/dbraw/zinc/00/82/10/463008210.db2.gz HVBUGJLTQXWJCF-OAHLLOKOSA-N 1 0 336.392 2.073 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000077929932 463072849 /nfs/dbraw/zinc/07/28/49/463072849.db2.gz DHZPXANLAWBDGQ-CYBMUJFWSA-N 1 0 348.403 2.231 20 5 EEBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000121493707 463145556 /nfs/dbraw/zinc/14/55/56/463145556.db2.gz DJODVJXCXYZXBE-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO CC(C)[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000069083747 463205702 /nfs/dbraw/zinc/20/57/02/463205702.db2.gz BGZZEPWGCSTNEC-UHFFFAOYSA-N 1 0 335.404 2.377 20 5 EEBDRO CNc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054281613 463224107 /nfs/dbraw/zinc/22/41/07/463224107.db2.gz CGORLQWVXJHVCN-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079927655 463262166 /nfs/dbraw/zinc/26/21/66/463262166.db2.gz WRKRHVCJWHXECK-STQMWFEESA-N 1 0 334.420 2.474 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000030196627 463288897 /nfs/dbraw/zinc/28/88/97/463288897.db2.gz OFNKBZJDGCTDPD-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069857408 463340319 /nfs/dbraw/zinc/34/03/19/463340319.db2.gz FBDCIVSMBVRCME-INIZCTEOSA-N 1 0 349.431 2.148 20 5 EEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141201951 463349809 /nfs/dbraw/zinc/34/98/09/463349809.db2.gz VUKIJGAUMSERSJ-UHFFFAOYSA-N 1 0 325.368 2.293 20 5 EEBDRO C[C@@]1(O)CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000124267122 463403921 /nfs/dbraw/zinc/40/39/21/463403921.db2.gz FEMOPVBKELAJDV-CQSZACIVSA-N 1 0 327.768 2.034 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124653394 463448232 /nfs/dbraw/zinc/44/82/32/463448232.db2.gz QVRFUQWATJTWEH-UHFFFAOYSA-N 1 0 332.404 2.323 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000126450576 463636623 /nfs/dbraw/zinc/63/66/23/463636623.db2.gz DJHHOOICJLTEOF-UHFFFAOYSA-N 1 0 349.416 2.021 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000286811314 463711834 /nfs/dbraw/zinc/71/18/34/463711834.db2.gz UFNGAOVRVJWDNZ-YOEHRIQHSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177553440 463735759 /nfs/dbraw/zinc/73/57/59/463735759.db2.gz WOROAJSMFKRHCM-JQFCIGGWSA-N 1 0 330.388 2.030 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000185083714 463749825 /nfs/dbraw/zinc/74/98/25/463749825.db2.gz WKBIRRVEYXQMDQ-CYBMUJFWSA-N 1 0 336.344 2.289 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177664295 463760173 /nfs/dbraw/zinc/76/01/73/463760173.db2.gz OGFNLXUMNWTRNB-AAEUAGOBSA-N 1 0 348.403 2.028 20 5 EEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261811609 463868270 /nfs/dbraw/zinc/86/82/70/463868270.db2.gz SQCGHQKSUNCPAM-AWEZNQCLSA-N 1 0 335.795 2.128 20 5 EEBDRO Cn1c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000568754816 468382838 /nfs/dbraw/zinc/38/28/38/468382838.db2.gz SXBKIUSGZSRFJJ-SFHVURJKSA-N 1 0 342.399 2.328 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000283464455 463893859 /nfs/dbraw/zinc/89/38/59/463893859.db2.gz LXPXQHTZEYOSPP-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277168650 463896877 /nfs/dbraw/zinc/89/68/77/463896877.db2.gz KODIHWQISSKYKD-ZFWWWQNUSA-N 1 0 334.420 2.338 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1[N+](=O)[O-] ZINC000261963346 463912859 /nfs/dbraw/zinc/91/28/59/463912859.db2.gz AKRCXLDRLHGSCJ-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([NH2+]C2CC2)CC1 ZINC000269903300 464125554 /nfs/dbraw/zinc/12/55/54/464125554.db2.gz ZXBLPYAJOOISNZ-UHFFFAOYSA-N 1 0 341.209 2.473 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000225344788 464155486 /nfs/dbraw/zinc/15/54/86/464155486.db2.gz MCNIEKTVNZHQMS-NSHDSACASA-N 1 0 343.225 2.015 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C2)CC1 ZINC000270157708 464202798 /nfs/dbraw/zinc/20/27/98/464202798.db2.gz ITTRCXOPCNZKGK-GFCCVEGCSA-N 1 0 331.376 2.299 20 5 EEBDRO CS[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270495594 464257177 /nfs/dbraw/zinc/25/71/77/464257177.db2.gz OYHVGDGMSNXEAS-PQAPVRDISA-N 1 0 335.429 2.112 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237487843 464327434 /nfs/dbraw/zinc/32/74/34/464327434.db2.gz GLKNDVXMJZBEIX-BDAKNGLRSA-N 1 0 342.193 2.309 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237492434 464329679 /nfs/dbraw/zinc/32/96/79/464329679.db2.gz HZVRWWNYMMSPRT-OCCSQVGLSA-N 1 0 332.404 2.147 20 5 EEBDRO C[C@H](CN1CCOCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180696823 464372666 /nfs/dbraw/zinc/37/26/66/464372666.db2.gz ZWTSWQPCLJDIMI-OAHLLOKOSA-N 1 0 349.431 2.159 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000180825120 464403310 /nfs/dbraw/zinc/40/33/10/464403310.db2.gz YTGSAQGFOKYVOU-CYBMUJFWSA-N 1 0 332.404 2.171 20 5 EEBDRO [NH3+]Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000237955048 464410515 /nfs/dbraw/zinc/41/05/15/464410515.db2.gz UHHQCVQLJVQNSQ-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000294289964 464455566 /nfs/dbraw/zinc/45/55/66/464455566.db2.gz BKDBFRPEBURFFK-QWHCGFSZSA-N 1 0 337.351 2.099 20 5 EEBDRO CCOc1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000174918695 464469180 /nfs/dbraw/zinc/46/91/80/464469180.db2.gz NZCOQZMMSYUDQH-UHFFFAOYSA-N 1 0 335.404 2.295 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1(c2ccccc2)CC1 ZINC000189311752 464473213 /nfs/dbraw/zinc/47/32/13/464473213.db2.gz CSVIFVNHOJITFK-UHFFFAOYSA-N 1 0 327.384 2.420 20 5 EEBDRO CC(=O)c1ccc(N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])c1 ZINC000265265341 464514653 /nfs/dbraw/zinc/51/46/53/464514653.db2.gz ZDXLEMDLJQKUIO-UHFFFAOYSA-N 1 0 335.404 2.080 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000272228695 464527957 /nfs/dbraw/zinc/52/79/57/464527957.db2.gz VHLKGRVJUGMXCU-CQSZACIVSA-N 1 0 348.447 2.220 20 5 EEBDRO Cc1cc(NC(=O)[C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000285401310 464550127 /nfs/dbraw/zinc/55/01/27/464550127.db2.gz UARAMBWXIQUTPN-LBPRGKRZSA-N 1 0 332.360 2.393 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000265425761 464553492 /nfs/dbraw/zinc/55/34/92/464553492.db2.gz SPGBLWYLCWCOHI-LLVKDONJSA-N 1 0 342.783 2.090 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccsc1 ZINC000272462279 464621382 /nfs/dbraw/zinc/62/13/82/464621382.db2.gz OPZVEDPBCQCZFS-CYBMUJFWSA-N 1 0 334.401 2.271 20 5 EEBDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000281900757 464628206 /nfs/dbraw/zinc/62/82/06/464628206.db2.gz BNSWZTFAAIFBAK-PBHICJAKSA-N 1 0 346.431 2.022 20 5 EEBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000272541778 464652624 /nfs/dbraw/zinc/65/26/24/464652624.db2.gz NRPUJKPYHDBTDN-BBRMVZONSA-N 1 0 335.404 2.041 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000281976023 464655513 /nfs/dbraw/zinc/65/55/13/464655513.db2.gz OHSVMYALYSJUAG-UHFFFAOYSA-N 1 0 334.376 2.377 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295207044 464745971 /nfs/dbraw/zinc/74/59/71/464745971.db2.gz ZMGXVFROUYCNKR-ZDUSSCGKSA-N 1 0 327.812 2.185 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176459146 464778627 /nfs/dbraw/zinc/77/86/27/464778627.db2.gz ASOIQQWWLCJHGN-ZBFHGGJFSA-N 1 0 332.404 2.363 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248842189 464808402 /nfs/dbraw/zinc/80/84/02/464808402.db2.gz GIEWZFCDTRYDME-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295423691 464826508 /nfs/dbraw/zinc/82/65/08/464826508.db2.gz WBUROMVAISTMEH-UHFFFAOYSA-N 1 0 340.399 2.262 20 5 EEBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286337070 464883991 /nfs/dbraw/zinc/88/39/91/464883991.db2.gz GHZXKXABSYBTCN-HNNXBMFYSA-N 1 0 346.387 2.343 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000176912564 464884130 /nfs/dbraw/zinc/88/41/30/464884130.db2.gz BLPFRKPNSLCSLC-OAHLLOKOSA-N 1 0 337.420 2.244 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[N@@H+]1C1CC1 ZINC000177089732 464927935 /nfs/dbraw/zinc/92/79/35/464927935.db2.gz OQMTZIGNYGSUDI-RYUDHWBXSA-N 1 0 332.404 2.016 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192608147 464956421 /nfs/dbraw/zinc/95/64/21/464956421.db2.gz BIZPCVXMIZAMHT-ZDUSSCGKSA-N 1 0 337.424 2.032 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238805 464987297 /nfs/dbraw/zinc/98/72/97/464987297.db2.gz OKPOBBSVYUZVHD-HZMBPMFUSA-N 1 0 328.372 2.289 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282908675 464997729 /nfs/dbraw/zinc/99/77/29/464997729.db2.gz YKSPRMOYAHWJRT-GUYCJALGSA-N 1 0 346.431 2.261 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000295931840 465008485 /nfs/dbraw/zinc/00/84/85/465008485.db2.gz FZUCJGZBJDXDNB-AWEZNQCLSA-N 1 0 337.420 2.398 20 5 EEBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000177429524 465012630 /nfs/dbraw/zinc/01/26/30/465012630.db2.gz PBCIKKGMCQFVKU-UHFFFAOYSA-N 1 0 348.403 2.222 20 5 EEBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cn1ccnc1 ZINC000342932002 465396581 /nfs/dbraw/zinc/39/65/81/465396581.db2.gz DEUKGHAMSXSVJP-NSHDSACASA-N 1 0 327.344 2.339 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000593918124 468432658 /nfs/dbraw/zinc/43/26/58/468432658.db2.gz AUXBZHDXOSIVAQ-AGIUHOORSA-N 1 0 339.417 2.157 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593918428 468432958 /nfs/dbraw/zinc/43/29/58/468432958.db2.gz DCZRFMPKJBFJOF-IAOVAPTHSA-N 1 0 347.415 2.404 20 5 EEBDRO CC[NH+](CC)CCOCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356302 465518838 /nfs/dbraw/zinc/51/88/38/465518838.db2.gz MJZUFBZCFDPDHW-UHFFFAOYSA-N 1 0 332.404 2.913 20 5 EEBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299131147 465617516 /nfs/dbraw/zinc/61/75/16/465617516.db2.gz VKYATLSGOZZFOV-UHFFFAOYSA-N 1 0 332.360 2.253 20 5 EEBDRO CNc1c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000360938049 465646348 /nfs/dbraw/zinc/64/63/48/465646348.db2.gz QECFRFXSSXMVIG-GFCCVEGCSA-N 1 0 334.420 2.439 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371233170 465659298 /nfs/dbraw/zinc/65/92/98/465659298.db2.gz WUSKTIRUJCQBKC-MCIONIFRSA-N 1 0 333.388 2.280 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357043708 465723349 /nfs/dbraw/zinc/72/33/49/465723349.db2.gz RDXIOMQYIGIPSN-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330598331 465724498 /nfs/dbraw/zinc/72/44/98/465724498.db2.gz SSSKGYUBDYRJMO-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO COc1cc(CN[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000597126728 468451656 /nfs/dbraw/zinc/45/16/56/468451656.db2.gz HOHQRUFECHZKAZ-JTQLQIEISA-N 1 0 347.362 2.287 20 5 EEBDRO CNc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125159 465783666 /nfs/dbraw/zinc/78/36/66/465783666.db2.gz VRJSZRYDBODQPS-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000330767833 465796615 /nfs/dbraw/zinc/79/66/15/465796615.db2.gz XEGLQOHRWTUKFQ-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000371599020 465896006 /nfs/dbraw/zinc/89/60/06/465896006.db2.gz ZHPNCPKKAYILMX-LBPRGKRZSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331045355 465910324 /nfs/dbraw/zinc/91/03/24/465910324.db2.gz UAZFUQHNEZPSDY-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000353498046 465932478 /nfs/dbraw/zinc/93/24/78/465932478.db2.gz RDIBCNSIHPHDEO-PBHICJAKSA-N 1 0 341.415 2.244 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000357352149 465972653 /nfs/dbraw/zinc/97/26/53/465972653.db2.gz UHEHJRCQHYNKSX-SNVBAGLBSA-N 1 0 341.795 2.226 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000371752253 465979100 /nfs/dbraw/zinc/97/91/00/465979100.db2.gz GDWKGBZIGVLCOA-GFCCVEGCSA-N 1 0 335.795 2.350 20 5 EEBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301568800 465988151 /nfs/dbraw/zinc/98/81/51/465988151.db2.gz QOBINBCDYFXKRQ-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331393140 466062546 /nfs/dbraw/zinc/06/25/46/466062546.db2.gz KOKAOOBEHQLFCC-LLVKDONJSA-N 1 0 335.408 2.188 20 5 EEBDRO O=C(c1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591440668 468470110 /nfs/dbraw/zinc/47/01/10/468470110.db2.gz IIKZWERSVNXBRI-XJKSGUPXSA-N 1 0 344.415 2.019 20 5 EEBDRO O=C1[C@@H]([NH+]2CCC(CCCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331629215 466171281 /nfs/dbraw/zinc/17/12/81/466171281.db2.gz ICVHANMPBSXZKT-KRWDZBQOSA-N 1 0 347.415 2.185 20 5 EEBDRO COC(=O)c1cnc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761153 466180289 /nfs/dbraw/zinc/18/02/89/466180289.db2.gz KFZHVJPRMCWGLE-VXGBXAGGSA-N 1 0 336.392 2.309 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372159253 466193754 /nfs/dbraw/zinc/19/37/54/466193754.db2.gz ZENIBFUMRXXPKN-UONOGXRCSA-N 1 0 333.388 2.282 20 5 EEBDRO COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338544449 466210664 /nfs/dbraw/zinc/21/06/64/466210664.db2.gz AQKLXDHKGJBGIO-LBPRGKRZSA-N 1 0 336.392 2.065 20 5 EEBDRO COc1ccc(CN2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000372206213 466225635 /nfs/dbraw/zinc/22/56/35/466225635.db2.gz QEQJHSQBKBRTQF-UHFFFAOYSA-N 1 0 336.388 2.375 20 5 EEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597218228 468482987 /nfs/dbraw/zinc/48/29/87/468482987.db2.gz NGNYBVIRWKBYBB-WAAGHKOSSA-N 1 0 330.287 2.237 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367461262 466352696 /nfs/dbraw/zinc/35/26/96/466352696.db2.gz UBXHQAKWPRUSCZ-RYECEPHISA-N 1 0 331.416 2.139 20 5 EEBDRO CC1CCC(O)(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000305227038 466384115 /nfs/dbraw/zinc/38/41/15/466384115.db2.gz KUQLNPXCUNNDAG-XOYHFGRZSA-N 1 0 334.420 2.417 20 5 EEBDRO COc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332098400 466386466 /nfs/dbraw/zinc/38/64/66/466386466.db2.gz XSUSTGKLRWHZQK-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332220055 466453845 /nfs/dbraw/zinc/45/38/45/466453845.db2.gz AGAILKHJXGIMTH-KRWDZBQOSA-N 1 0 344.415 2.348 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000332386240 466537310 /nfs/dbraw/zinc/53/73/10/466537310.db2.gz JLYOOTYOUOLHMH-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO COC1CC[NH+](C2(CNc3c([N+](=O)[O-])ncn3C)CCCC2)CC1 ZINC000341114462 466594564 /nfs/dbraw/zinc/59/45/64/466594564.db2.gz ZVQCRCXMMXPEOM-UHFFFAOYSA-N 1 0 337.424 2.164 20 5 EEBDRO Cc1c(CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591681375 468502403 /nfs/dbraw/zinc/50/24/03/468502403.db2.gz NCKBFSIZZDDEFT-UHFFFAOYSA-N 1 0 326.356 2.125 20 5 EEBDRO CC[C@@H]([NH2+]C1CCN(C(=O)COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000324930704 466650911 /nfs/dbraw/zinc/65/09/11/466650911.db2.gz XMRLGBVBDNDMKB-MRXNPFEDSA-N 1 0 335.404 2.273 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423710289 466810625 /nfs/dbraw/zinc/81/06/25/466810625.db2.gz XHIHUJXIEYBKHX-LBPRGKRZSA-N 1 0 328.372 2.405 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411382197 466817601 /nfs/dbraw/zinc/81/76/01/466817601.db2.gz JYYNXQYJKCFTOA-OAUYIBNBSA-N 1 0 329.400 2.299 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000370287836 466825488 /nfs/dbraw/zinc/82/54/88/466825488.db2.gz KCMVUJCOXSGPJW-CABCVRRESA-N 1 0 333.388 2.237 20 5 EEBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447318 466882015 /nfs/dbraw/zinc/88/20/15/466882015.db2.gz MJHWVSTUDLYZEO-CJNGLKHVSA-N 1 0 328.372 2.235 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417726640 466918809 /nfs/dbraw/zinc/91/88/09/466918809.db2.gz MVGMPVDYKQPAOL-JKSUJKDBSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412041213 466976978 /nfs/dbraw/zinc/97/69/78/466976978.db2.gz RPFNKVZMOGJLGO-MISXGVKJSA-N 1 0 332.360 2.409 20 5 EEBDRO NC(=O)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000374248077 467035031 /nfs/dbraw/zinc/03/50/31/467035031.db2.gz UHFMBZNRGZQEGI-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418076621 467039177 /nfs/dbraw/zinc/03/91/77/467039177.db2.gz GRDNBAQYOFKLRX-RBSFLKMASA-N 1 0 332.404 2.091 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412242367 467048461 /nfs/dbraw/zinc/04/84/61/467048461.db2.gz DCVORKRDGPLQKB-XBVQOTNRSA-N 1 0 329.400 2.251 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000432136681 467218726 /nfs/dbraw/zinc/21/87/26/467218726.db2.gz DNMMLUKCQYUGCP-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 ZINC000378510920 467327607 /nfs/dbraw/zinc/32/76/07/467327607.db2.gz JLXJPRVHMVSCIS-UHFFFAOYSA-N 1 0 348.359 2.203 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414504184 467416793 /nfs/dbraw/zinc/41/67/93/467416793.db2.gz XOPTUORHCHXKQX-PWSUYJOCSA-N 1 0 340.401 2.130 20 5 EEBDRO COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370250 467462690 /nfs/dbraw/zinc/46/26/90/467462690.db2.gz IFGJZFDBSDIFFP-UWVGGRQHSA-N 1 0 345.346 2.374 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000453622476 467506060 /nfs/dbraw/zinc/50/60/60/467506060.db2.gz XGYUSCBTKSIQPU-CQSZACIVSA-N 1 0 327.384 2.432 20 5 EEBDRO CSCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000449329393 467631299 /nfs/dbraw/zinc/63/12/99/467631299.db2.gz NXBGSENQYPHUJG-OCCSQVGLSA-N 1 0 339.461 2.325 20 5 EEBDRO COCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000449393836 467637309 /nfs/dbraw/zinc/63/73/09/467637309.db2.gz OOIYLRGQYWCSJL-UHFFFAOYSA-N 1 0 342.367 2.036 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000457081385 467748268 /nfs/dbraw/zinc/74/82/68/467748268.db2.gz CUTQWDIDNXTDMR-CQSZACIVSA-N 1 0 335.404 2.467 20 5 EEBDRO CC(C)(C)OC(=O)NCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496976290 467765071 /nfs/dbraw/zinc/76/50/71/467765071.db2.gz GBKSHKJKPLGCGT-AWEZNQCLSA-N 1 0 339.392 2.133 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450600933 467877554 /nfs/dbraw/zinc/87/75/54/467877554.db2.gz XHABSJRSMHBZEO-SNVBAGLBSA-N 1 0 348.325 2.267 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494230435 468038641 /nfs/dbraw/zinc/03/86/41/468038641.db2.gz KFSFMXGLIHTSGP-LYOVBCGYSA-N 1 0 337.376 2.088 20 5 EEBDRO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000488980221 468114675 /nfs/dbraw/zinc/11/46/75/468114675.db2.gz JCVIGZBOCHYIAP-LBPRGKRZSA-N 1 0 345.403 2.169 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000565483213 468132510 /nfs/dbraw/zinc/13/25/10/468132510.db2.gz TVEXXQBXOWUTIX-UONOGXRCSA-N 1 0 337.423 2.397 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000589512778 468158178 /nfs/dbraw/zinc/15/81/78/468158178.db2.gz DUKLILLISXEWFB-MRXNPFEDSA-N 1 0 335.404 2.153 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000490045164 468189566 /nfs/dbraw/zinc/18/95/66/468189566.db2.gz SINXSRXYWVMBHZ-DFBGVHRSSA-N 1 0 333.388 2.140 20 5 EEBDRO Cc1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728889 468512352 /nfs/dbraw/zinc/51/23/52/468512352.db2.gz RCXBQWHOPVBLIC-MRXNPFEDSA-N 1 0 330.384 2.475 20 5 EEBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759158 468515865 /nfs/dbraw/zinc/51/58/65/468515865.db2.gz HGQGWYGEMVDFQQ-ILXRZTDVSA-N 1 0 338.404 2.129 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600314186 468530182 /nfs/dbraw/zinc/53/01/82/468530182.db2.gz MNZRLHBXJRMWLH-ZDUSSCGKSA-N 1 0 344.415 2.467 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600315297 468530328 /nfs/dbraw/zinc/53/03/28/468530328.db2.gz RLDYTBDVBAGWQL-AWEZNQCLSA-N 1 0 335.404 2.130 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000592432353 468696907 /nfs/dbraw/zinc/69/69/07/468696907.db2.gz FEIFACFOXGPZEE-MFKMUULPSA-N 1 0 327.331 2.380 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594914212 468721839 /nfs/dbraw/zinc/72/18/39/468721839.db2.gz FSRGPFVGEXLNOJ-ZDUSSCGKSA-N 1 0 335.404 2.330 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597993347 468734523 /nfs/dbraw/zinc/73/45/23/468734523.db2.gz RZIKNVOFGKNXFL-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000595015595 468744148 /nfs/dbraw/zinc/74/41/48/468744148.db2.gz ZFIMSAIDWBCGFG-MELADBBJSA-N 1 0 337.420 2.363 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559640829 468749530 /nfs/dbraw/zinc/74/95/30/468749530.db2.gz SBDUJMGWPNLENU-AWEZNQCLSA-N 1 0 326.356 2.078 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)CC1CC1 ZINC000595088960 468756054 /nfs/dbraw/zinc/75/60/54/468756054.db2.gz MUJSTMOWOYXZDF-GXTWGEPZSA-N 1 0 335.404 2.310 20 5 EEBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097185 468758358 /nfs/dbraw/zinc/75/83/58/468758358.db2.gz RUCFNYYDKIESBW-DZGCQCFKSA-N 1 0 334.420 2.386 20 5 EEBDRO CNc1c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598265420 468811738 /nfs/dbraw/zinc/81/17/38/468811738.db2.gz SVOZYIZZVPKQJM-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO CCN1CC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000595330594 468814630 /nfs/dbraw/zinc/81/46/30/468814630.db2.gz MNLANDIEOWJGFI-INIZCTEOSA-N 1 0 333.388 2.059 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000595536700 468891152 /nfs/dbraw/zinc/89/11/52/468891152.db2.gz SYDSLAYZOCWDRK-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CNc1c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598562572 468914263 /nfs/dbraw/zinc/91/42/63/468914263.db2.gz WQSOOUDVQCXDPV-CQSZACIVSA-N 1 0 346.431 2.488 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598589788 468924793 /nfs/dbraw/zinc/92/47/93/468924793.db2.gz JNIWZUKAJSJIQH-RYUDHWBXSA-N 1 0 336.392 2.451 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000562402309 468951184 /nfs/dbraw/zinc/95/11/84/468951184.db2.gz VFEGUCFGVFMSQZ-KCPJHIHWSA-N 1 0 337.445 2.202 20 5 EEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000598669998 468952542 /nfs/dbraw/zinc/95/25/42/468952542.db2.gz PQROKARMCUVDBX-SJKOYZFVSA-N 1 0 330.388 2.123 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595698626 468960149 /nfs/dbraw/zinc/96/01/49/468960149.db2.gz NGVOXNIUTXOCMR-HIFRSBDPSA-N 1 0 335.404 2.406 20 5 EEBDRO CCN1C[C@H](C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)Oc2ccccc21 ZINC000610447491 468970664 /nfs/dbraw/zinc/97/06/64/468970664.db2.gz LYQVCNGEJJXDDP-HNNXBMFYSA-N 1 0 345.403 2.011 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000602644935 468984505 /nfs/dbraw/zinc/98/45/05/468984505.db2.gz PJMJNACIMZTQCG-RYUDHWBXSA-N 1 0 348.321 2.348 20 5 EEBDRO CC(C)N(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602668054 468999641 /nfs/dbraw/zinc/99/96/41/468999641.db2.gz AHVCGMWUBXSDSC-AWEZNQCLSA-N 1 0 335.452 2.277 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000610576900 469008464 /nfs/dbraw/zinc/00/84/64/469008464.db2.gz DLSADEHBBDXTPP-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000593535068 469021825 /nfs/dbraw/zinc/02/18/25/469021825.db2.gz UNMWVHWANLCVLJ-ZFWWWQNUSA-N 1 0 335.379 2.219 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714608 469047445 /nfs/dbraw/zinc/04/74/45/469047445.db2.gz VMHKVZIXJSLRAW-QFYYESIMSA-N 1 0 328.372 2.289 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000602795605 469080793 /nfs/dbraw/zinc/08/07/93/469080793.db2.gz BPHKLUPUFICPAI-CQSZACIVSA-N 1 0 332.404 2.373 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc2c1CC[NH2+]C2 ZINC000595923457 469085488 /nfs/dbraw/zinc/08/54/88/469085488.db2.gz VWHUDIZOUANTIZ-UHFFFAOYSA-N 1 0 340.383 2.082 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936088 469091614 /nfs/dbraw/zinc/09/16/14/469091614.db2.gz XCGPFCVNOXUCBD-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969766 469118684 /nfs/dbraw/zinc/11/86/84/469118684.db2.gz SVSIZSNDSKQNSD-CMPLNLGQSA-N 1 0 337.401 2.450 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599137666 469132542 /nfs/dbraw/zinc/13/25/42/469132542.db2.gz BGXZDNIDCIQCHT-LBPRGKRZSA-N 1 0 336.392 2.310 20 5 EEBDRO CC[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000602983695 469205459 /nfs/dbraw/zinc/20/54/59/469205459.db2.gz QNKXSMKGSUADSV-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000615496294 469249874 /nfs/dbraw/zinc/24/98/74/469249874.db2.gz SFFIVPMFTVXIAE-NWDGAFQWSA-N 1 0 332.404 2.016 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712260 469307233 /nfs/dbraw/zinc/30/72/33/469307233.db2.gz ZCLGUMVPSQEJMH-MLGOLLRUSA-N 1 0 327.388 2.459 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000615835268 469324150 /nfs/dbraw/zinc/32/41/50/469324150.db2.gz GTZIYPJZBRYJKL-PTNGSMBKSA-N 1 0 333.432 2.387 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486160 469336384 /nfs/dbraw/zinc/33/63/84/469336384.db2.gz CFFKYRJFNJCLEN-RKDXNWHRSA-N 1 0 342.193 2.357 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486151 469336768 /nfs/dbraw/zinc/33/67/68/469336768.db2.gz CFFKYRJFNJCLEN-DTWKUNHWSA-N 1 0 342.193 2.357 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3c[nH]nc3C2)n1 ZINC000618571438 469393390 /nfs/dbraw/zinc/39/33/90/469393390.db2.gz QISVHTCLFVXBSW-KCQAQPDRSA-N 1 0 330.392 2.145 20 5 EEBDRO CN(C)[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccco1 ZINC000604532410 469488149 /nfs/dbraw/zinc/48/81/49/469488149.db2.gz QZWDHVHRHVLKIV-CQSZACIVSA-N 1 0 347.371 2.352 20 5 EEBDRO O=C(NCC12CCC[NH+]1CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619574081 469642027 /nfs/dbraw/zinc/64/20/27/469642027.db2.gz NJOBZRKTOZLRGP-UHFFFAOYSA-N 1 0 328.372 2.434 20 5 EEBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000610336856 470005043 /nfs/dbraw/zinc/00/50/43/470005043.db2.gz PFFJTTFCNPBZDG-YRGRVCCFSA-N 1 0 326.418 2.160 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202834 485603078 /nfs/dbraw/zinc/60/30/78/485603078.db2.gz SKKAWRUVFIOXOA-ZIAGYGMSSA-N 1 0 333.388 2.107 20 5 EEBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2cccs2)c([N+](=O)[O-])cc1O ZINC000152997225 533881639 /nfs/dbraw/zinc/88/16/39/533881639.db2.gz BXXYQCVHEASHDT-OAHLLOKOSA-N 1 0 338.385 2.368 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415437055 534105014 /nfs/dbraw/zinc/10/50/14/534105014.db2.gz KGTXNVSFDOHSCW-QWHCGFSZSA-N 1 0 348.403 2.457 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132828753 534325010 /nfs/dbraw/zinc/32/50/10/534325010.db2.gz SLGWDQRNDVVTOC-ZBFHGGJFSA-N 1 0 334.420 2.478 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174526739 534627828 /nfs/dbraw/zinc/62/78/28/534627828.db2.gz JXELFVPIXAUNRH-OAHLLOKOSA-N 1 0 347.415 2.308 20 5 EEBDRO CNC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000266242422 536429653 /nfs/dbraw/zinc/42/96/53/536429653.db2.gz LOQVYMFMKCQMBL-AWEZNQCLSA-N 1 0 334.420 2.265 20 5 EEBDRO C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266479224 536473987 /nfs/dbraw/zinc/47/39/87/536473987.db2.gz SPIZCJYNIHPYFX-GOSISDBHSA-N 1 0 340.383 2.437 20 5 EEBDRO CC1(c2ccccc2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153929831 528065657 /nfs/dbraw/zinc/06/56/57/528065657.db2.gz QEXKEMYVMZMSLJ-KRWDZBQOSA-N 1 0 344.415 2.206 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000131702327 528272597 /nfs/dbraw/zinc/27/25/97/528272597.db2.gz GMRXCWKFPQJQGO-CYBMUJFWSA-N 1 0 348.403 2.089 20 5 EEBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191359720 529115915 /nfs/dbraw/zinc/11/59/15/529115915.db2.gz DBJLIZIGXRYEID-LSDHHAIUSA-N 1 0 335.404 2.377 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459763211 535944299 /nfs/dbraw/zinc/94/42/99/535944299.db2.gz ARFGBWCZLWCNTC-OCCSQVGLSA-N 1 0 335.360 2.050 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000459754363 536476723 /nfs/dbraw/zinc/47/67/23/536476723.db2.gz JKBDSVJWCQMAOC-HZSPNIEDSA-N 1 0 334.372 2.425 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000730805846 577058136 /nfs/dbraw/zinc/05/81/36/577058136.db2.gz FBTWEVYXIOAWRW-MRXNPFEDSA-N 1 0 329.404 2.462 20 5 EEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168228 577821109 /nfs/dbraw/zinc/82/11/09/577821109.db2.gz GCGCFHOHOOQKPY-OTYXRUKQSA-N 1 0 327.768 2.344 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000756291443 577841529 /nfs/dbraw/zinc/84/15/29/577841529.db2.gz GTDVPLLPNNWLFR-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO CCc1oncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020656761 675352079 /nfs/dbraw/zinc/35/20/79/675352079.db2.gz JANBYTQERXCCPB-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO CC1(C)CC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[NH2+]C1 ZINC000891409558 676572914 /nfs/dbraw/zinc/57/29/14/676572914.db2.gz HRWCLEUYHCNQFR-CQSZACIVSA-N 1 0 334.420 2.215 20 5 EEBDRO CCc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001021995909 676574371 /nfs/dbraw/zinc/57/43/71/676574371.db2.gz QWUSYWQTXJJQRS-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022013187 676583448 /nfs/dbraw/zinc/58/34/48/676583448.db2.gz DRZVMWVLOBLLDK-BETUJISGSA-N 1 0 348.428 2.354 20 5 EEBDRO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000891980374 677838577 /nfs/dbraw/zinc/83/85/77/677838577.db2.gz FJVBPTQZTPNEEJ-UONOGXRCSA-N 1 0 346.431 2.482 20 5 EEBDRO CCc1ncoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022684018 678221862 /nfs/dbraw/zinc/22/18/62/678221862.db2.gz XFIFJYDZLCHGNA-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000892187075 678228334 /nfs/dbraw/zinc/22/83/34/678228334.db2.gz IFSRYYHEXBUOID-XJFOESAGSA-N 1 0 332.404 2.343 20 5 EEBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000892187014 678228446 /nfs/dbraw/zinc/22/84/46/678228446.db2.gz HBRMQUCFLONPCZ-RRFJBIMHSA-N 1 0 332.404 2.091 20 5 EEBDRO Cc1ocnc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983271617 682158554 /nfs/dbraw/zinc/15/85/54/682158554.db2.gz KLYSTEGBKHLSAZ-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CC[N@@H+]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000894178299 682175649 /nfs/dbraw/zinc/17/56/49/682175649.db2.gz LNZXIPOJJHCBLK-ZDUSSCGKSA-N 1 0 344.415 2.367 20 5 EEBDRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892867066 683149757 /nfs/dbraw/zinc/14/97/57/683149757.db2.gz VKACYRGOUOPBAR-AWEZNQCLSA-N 1 0 327.812 2.449 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000893135228 683832169 /nfs/dbraw/zinc/83/21/69/683832169.db2.gz NYISDIOXEOZSKK-UHFFFAOYSA-N 1 0 335.311 2.142 20 5 EEBDRO C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-])C1CC1 ZINC000899906754 693919816 /nfs/dbraw/zinc/91/98/16/693919816.db2.gz NOPPMXCTDXFKPD-JTQLQIEISA-N 1 0 334.294 2.448 20 5 EEBDRO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000985425281 686650694 /nfs/dbraw/zinc/65/06/94/686650694.db2.gz DQGOVGUNQMQHRP-HUUCEWRRSA-N 1 0 337.445 2.145 20 5 EEBDRO Cn1cc(C[NH2+]CC[C@@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898206099 691894249 /nfs/dbraw/zinc/89/42/49/691894249.db2.gz LQUMSLAXRABVKF-MRXNPFEDSA-N 1 0 330.388 2.246 20 5 EEBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865915823 1198422932 /nfs/dbraw/zinc/42/29/32/1198422932.db2.gz IHXOBXMKEUOPES-UHFFFAOYSA-N 1 0 340.374 2.216 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000877345107 1199909297 /nfs/dbraw/zinc/90/92/97/1199909297.db2.gz VWIFSXVBDLJNOO-MRXNPFEDSA-N 1 0 325.368 2.348 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000878042096 1200229249 /nfs/dbraw/zinc/22/92/49/1200229249.db2.gz VFZZETYLURPEEJ-CYBMUJFWSA-N 1 0 343.387 2.315 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878340932 1200408494 /nfs/dbraw/zinc/40/84/94/1200408494.db2.gz VLDFDDRLNNVZGW-NWDGAFQWSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879962575 1201325496 /nfs/dbraw/zinc/32/54/96/1201325496.db2.gz SRXVFYPKHQJRMF-CHWSQXEVSA-N 1 0 335.404 2.405 20 5 EEBDRO COC(=O)c1ccnc(N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000866054665 1201416113 /nfs/dbraw/zinc/41/61/13/1201416113.db2.gz GHMWWNRLFKEVOJ-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866280766 1201482156 /nfs/dbraw/zinc/48/21/56/1201482156.db2.gz ZUVLGFFJTTUZPQ-JMSVASOKSA-N 1 0 326.368 2.449 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000868573027 1201837799 /nfs/dbraw/zinc/83/77/99/1201837799.db2.gz XLKWOOLMYUVCIA-KRWDZBQOSA-N 1 0 335.379 2.221 20 5 EEBDRO CC1(C)[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000884353669 1202299936 /nfs/dbraw/zinc/29/99/36/1202299936.db2.gz DDZSXSWPWVYEQN-WDEREUQCSA-N 1 0 342.193 2.213 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887132896 1204213036 /nfs/dbraw/zinc/21/30/36/1204213036.db2.gz PMZRSBZVUTXVOR-KBXCAEBGSA-N 1 0 342.399 2.234 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095605268 1205889179 /nfs/dbraw/zinc/88/91/79/1205889179.db2.gz BWMWQADEPAUMSO-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246862 1206363714 /nfs/dbraw/zinc/36/37/14/1206363714.db2.gz MEWOJCJGUPROFS-CYBMUJFWSA-N 1 0 335.404 2.130 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933904607 1207866778 /nfs/dbraw/zinc/86/67/78/1207866778.db2.gz ZBTIATBOFSPKQY-HNNXBMFYSA-N 1 0 349.387 2.069 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(F)c1 ZINC000195131354 1211321756 /nfs/dbraw/zinc/32/17/56/1211321756.db2.gz GHCOBWLQCOLJJY-INIZCTEOSA-N 1 0 346.362 2.349 20 5 EEBDRO COC(=O)[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000827812128 1248792322 /nfs/dbraw/zinc/79/23/22/1248792322.db2.gz CXBPBOPQINHIOU-MQMHXKEQSA-N 1 0 333.388 2.105 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC001019991069 1229432123 /nfs/dbraw/zinc/43/21/23/1229432123.db2.gz IRVOLSBFXPBPRJ-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138844 1229504876 /nfs/dbraw/zinc/50/48/76/1229504876.db2.gz DHKVUZOVWRQKLB-AAVRWANBSA-N 1 0 339.342 2.026 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000903371226 1240330925 /nfs/dbraw/zinc/33/09/25/1240330925.db2.gz QGAYMPUSPUYSPE-HNNXBMFYSA-N 1 0 348.399 2.220 20 5 EEBDRO O=C(N1CCC(Nc2ccccc2[N+](=O)[O-])CC1)C12CC[NH+](CC1)C2 ZINC001057349050 1243400432 /nfs/dbraw/zinc/40/04/32/1243400432.db2.gz KWTSXARKZOZLSU-UHFFFAOYSA-N 1 0 344.415 2.094 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001097051246 1243628272 /nfs/dbraw/zinc/62/82/72/1243628272.db2.gz SVRBLMFZQJCBGV-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097056605 1243667149 /nfs/dbraw/zinc/66/71/49/1243667149.db2.gz CFSVKOLFBVQEMY-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO CCCN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001101227384 1245543038 /nfs/dbraw/zinc/54/30/38/1245543038.db2.gz JSLOEZIKIYJFGB-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001101228580 1245544453 /nfs/dbraw/zinc/54/44/53/1245544453.db2.gz GLWVRSNOUPCLLC-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO Cc1ccc(N(CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001101352503 1245701897 /nfs/dbraw/zinc/70/18/97/1245701897.db2.gz DSCBKHFKJHKMOE-UHFFFAOYSA-N 1 0 348.447 2.328 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580943 1278145040 /nfs/dbraw/zinc/14/50/40/1278145040.db2.gz UHLGNJCTKJQERA-YUTCNCBUSA-N 1 0 334.420 2.475 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627647 1278154604 /nfs/dbraw/zinc/15/46/04/1278154604.db2.gz FRWYDLZBVAWCOA-LLVKDONJSA-N 1 0 328.372 2.056 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853127799 1292291346 /nfs/dbraw/zinc/29/13/46/1292291346.db2.gz UNDWOFJASBFEDX-XWIAVFTESA-N 1 0 330.384 2.382 20 5 EEBDRO COc1cc(N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000853322081 1292353352 /nfs/dbraw/zinc/35/33/52/1292353352.db2.gz LKZHRZUDZUNXGV-UHFFFAOYSA-N 1 0 337.420 2.459 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765538 1293910880 /nfs/dbraw/zinc/91/08/80/1293910880.db2.gz CEOZMUQSAMEUCI-GFCCVEGCSA-N 1 0 343.330 2.071 20 5 EEBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858578105 1294159317 /nfs/dbraw/zinc/15/93/17/1294159317.db2.gz GXEWVRSTDTUWPF-GUTXKFCHSA-N 1 0 335.404 2.304 20 5 EEBDRO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC001218144385 1297582459 /nfs/dbraw/zinc/58/24/59/1297582459.db2.gz JEXBJHPNNHMZBV-LJWDBELGSA-N 1 0 330.344 2.011 20 5 EEBDRO COc1ccc2ccccc2c1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223212771 1300022459 /nfs/dbraw/zinc/02/24/59/1300022459.db2.gz GIUASDDHQDWCMV-OAHLLOKOSA-N 1 0 332.420 2.349 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(nn1)CN(Cc1ccccc1)C2 ZINC001228723417 1302409162 /nfs/dbraw/zinc/40/91/62/1302409162.db2.gz RHDAFJYGCBCCDW-OAHLLOKOSA-N 1 0 327.452 2.466 20 5 EEBDRO CN1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879453 1302974451 /nfs/dbraw/zinc/97/44/51/1302974451.db2.gz DEWHPYDDDXTZIM-QMMMGPOBSA-N 1 0 348.140 2.282 20 5 EEBDRO C[NH+]1CCN(c2cccc3nc(O[C@H](C[N+](=O)[O-])C4CC4)oc32)CC1 ZINC001230102839 1303061406 /nfs/dbraw/zinc/06/14/06/1303061406.db2.gz APOPYRZGBLOXIP-OAHLLOKOSA-N 1 0 346.387 2.014 20 5 EEBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001230602007 1303308516 /nfs/dbraw/zinc/30/85/16/1303308516.db2.gz TVMJAVFXUJZBOS-HDJSIYSDSA-N 1 0 346.387 2.493 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001230621868 1303331749 /nfs/dbraw/zinc/33/17/49/1303331749.db2.gz DSDCZFQMFNJFJD-CYBMUJFWSA-N 1 0 333.364 2.111 20 5 EEBDRO C[C@]1(CO)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219478 1304041390 /nfs/dbraw/zinc/04/13/90/1304041390.db2.gz URJRNUQAVSOUQY-YLJYHZDGSA-N 1 0 337.423 2.348 20 5 EEBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234410381 1304912931 /nfs/dbraw/zinc/91/29/31/1304912931.db2.gz MDPLCEFJDVFIJE-GFCCVEGCSA-N 1 0 325.385 2.174 20 5 EEBDRO C[N@H+](CCCNC(=O)C1=COCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001235463805 1305241627 /nfs/dbraw/zinc/24/16/27/1305241627.db2.gz DUBTVWRFJXHQNL-UHFFFAOYSA-N 1 0 333.388 2.227 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]([NH3+])CC(F)(F)C2)c1F ZINC001246596130 1310354094 /nfs/dbraw/zinc/35/40/94/1310354094.db2.gz ZJSLSACBZKJANK-NXEZZACHSA-N 1 0 347.337 2.342 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+]CC2(C)C)c1F ZINC001246811749 1310435702 /nfs/dbraw/zinc/43/57/02/1310435702.db2.gz WFHYSJUESYFESA-LLVKDONJSA-N 1 0 325.384 2.357 20 5 EEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000841162604 1315493323 /nfs/dbraw/zinc/49/33/23/1315493323.db2.gz XJXQNHAWUWOFRY-JTQLQIEISA-N 1 0 343.181 2.216 20 5 EEBDRO Cc1nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c2ncc([N+](=O)[O-])cc12 ZINC000842639601 1315741642 /nfs/dbraw/zinc/74/16/42/1315741642.db2.gz REFKEERZETZDGI-LBPRGKRZSA-N 1 0 345.403 2.496 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)ccc1-n1ccnc1 ZINC000842663045 1315749216 /nfs/dbraw/zinc/74/92/16/1315749216.db2.gz XBYKGPAOMIGMRS-LBPRGKRZSA-N 1 0 340.343 2.298 20 5 EEBDRO C[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H]([NH3+])c1ccccc1 ZINC000843222677 1315870353 /nfs/dbraw/zinc/87/03/53/1315870353.db2.gz ILMOWVJHRXYGDF-ONGXEEELSA-N 1 0 328.332 2.182 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843482212 1315921030 /nfs/dbraw/zinc/92/10/30/1315921030.db2.gz KNKYYEWYFGJILS-TVQRCGJNSA-N 1 0 341.770 2.140 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC001150492173 1316280566 /nfs/dbraw/zinc/28/05/66/1316280566.db2.gz PUFLBJADADNXEZ-UHFFFAOYSA-N 1 0 330.388 2.070 20 5 EEBDRO CCc1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001153203130 1316790535 /nfs/dbraw/zinc/79/05/35/1316790535.db2.gz CDCMFVKIPOAAAD-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2n(c1)CCCC2 ZINC001153924100 1316917044 /nfs/dbraw/zinc/91/70/44/1316917044.db2.gz JLMGYYNYYWOHQE-UHFFFAOYSA-N 1 0 348.428 2.314 20 5 EEBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155248591 1317520797 /nfs/dbraw/zinc/52/07/97/1317520797.db2.gz VVSMOHKGZLTJCW-QMMMGPOBSA-N 1 0 328.288 2.257 20 5 EEBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155248590 1317521384 /nfs/dbraw/zinc/52/13/84/1317521384.db2.gz VVSMOHKGZLTJCW-MRVPVSSYSA-N 1 0 328.288 2.257 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001155553656 1317648952 /nfs/dbraw/zinc/64/89/52/1317648952.db2.gz VGMBIZXJSBSBPI-DOMZBBRYSA-N 1 0 342.355 2.292 20 5 EEBDRO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476995 1318084317 /nfs/dbraw/zinc/08/43/17/1318084317.db2.gz YWVUQJCWNUUZRR-KSSFIOAISA-N 1 0 332.448 2.493 20 5 EEBDRO Cn1cnc2c1CCN(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254480276 1318084437 /nfs/dbraw/zinc/08/44/37/1318084437.db2.gz COTCKIMBENBTNI-UHFFFAOYSA-N 1 0 341.415 2.355 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)C2(C[NH3+])COC2)n1 ZINC001156632435 1318122064 /nfs/dbraw/zinc/12/20/64/1318122064.db2.gz QDOPUWJCLNRNPP-UHFFFAOYSA-N 1 0 342.399 2.341 20 5 EEBDRO COc1ccc([C@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577663 1318128740 /nfs/dbraw/zinc/12/87/40/1318128740.db2.gz GFXUOLPQNYYZKS-YJBOKZPZSA-N 1 0 328.368 2.394 20 5 EEBDRO COC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H](O)c1ccccc1 ZINC001254584756 1318132695 /nfs/dbraw/zinc/13/26/95/1318132695.db2.gz JPBUJQITNZQETR-WDSOQIARSA-N 1 0 342.395 2.400 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC001156922285 1318289711 /nfs/dbraw/zinc/28/97/11/1318289711.db2.gz FSGGRBSMYAUMPL-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO [NH3+]CCc1cn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001157218310 1318497232 /nfs/dbraw/zinc/49/72/32/1318497232.db2.gz PHUXUXGXEOWYFG-UHFFFAOYSA-N 1 0 348.746 2.032 20 5 EEBDRO Nc1nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001157435473 1318638632 /nfs/dbraw/zinc/63/86/32/1318638632.db2.gz PPDVIQOIWBNTRG-CQSZACIVSA-N 1 0 327.388 2.331 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC001256083462 1318642930 /nfs/dbraw/zinc/64/29/30/1318642930.db2.gz PQXMBZVKXGGUSI-UHFFFAOYSA-N 1 0 345.403 2.096 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC001256085268 1318643345 /nfs/dbraw/zinc/64/33/45/1318643345.db2.gz MMZHRBPAXCCKIS-MRXNPFEDSA-N 1 0 348.447 2.256 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3C[NH2+]CC[C@H]3F)c2c1 ZINC001157448026 1318644076 /nfs/dbraw/zinc/64/40/76/1318644076.db2.gz RZUBJKRFGPPZFW-KOLCDFICSA-N 1 0 325.731 2.303 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3[C@@H](C)CC[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256093738 1318645668 /nfs/dbraw/zinc/64/56/68/1318645668.db2.gz PRKWCIYCAIUFND-BBRMVZONSA-N 1 0 349.431 2.417 20 5 EEBDRO COc1cc2ncnc(N3CC[N@H+](C(C)C)[C@@H](C)C3)c2cc1[N+](=O)[O-] ZINC001158494647 1319270701 /nfs/dbraw/zinc/27/07/01/1319270701.db2.gz OEEMUNGRWFFWSD-LBPRGKRZSA-N 1 0 345.403 2.466 20 5 EEBDRO C[N@H+](C1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1)[C@H]1CCOC1 ZINC001158730962 1319406915 /nfs/dbraw/zinc/40/69/15/1319406915.db2.gz DHXCUPQFGYKBHX-LBPRGKRZSA-N 1 0 328.372 2.052 20 5 EEBDRO COc1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001159352595 1319755025 /nfs/dbraw/zinc/75/50/25/1319755025.db2.gz ZJZGJTYZSHBZHI-GFCCVEGCSA-N 1 0 330.344 2.483 20 5 EEBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001160004025 1320047518 /nfs/dbraw/zinc/04/75/18/1320047518.db2.gz IZEUXBLWNXCSRG-GFCCVEGCSA-N 1 0 326.356 2.370 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccccc23)nc1C1C[NH2+]C1 ZINC001160781835 1320266858 /nfs/dbraw/zinc/26/68/58/1320266858.db2.gz RSVOIKLAVXPCQR-UHFFFAOYSA-N 1 0 338.371 2.208 20 5 EEBDRO Cc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)ncc1[N+](=O)[O-] ZINC001161137004 1320398727 /nfs/dbraw/zinc/39/87/27/1320398727.db2.gz DKVUHMRIVQDXNI-UHFFFAOYSA-N 1 0 343.387 2.475 20 5 EEBDRO COCc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001162135259 1320759264 /nfs/dbraw/zinc/75/92/64/1320759264.db2.gz ZUOZAKOVXCQENV-UHFFFAOYSA-N 1 0 347.371 2.244 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001162853921 1320975215 /nfs/dbraw/zinc/97/52/15/1320975215.db2.gz PAAIUCVKPLBTFF-CYBMUJFWSA-N 1 0 327.340 2.403 20 5 EEBDRO CN(C)/C=C/c1cc(NC2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001162981923 1321004105 /nfs/dbraw/zinc/00/41/05/1321004105.db2.gz JFIXCULBESVTMJ-QPJJXVBHSA-N 1 0 331.420 2.466 20 5 EEBDRO Cc1c(F)cnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163056609 1321025700 /nfs/dbraw/zinc/02/57/00/1321025700.db2.gz TZQVGHGIUALKLE-GFCCVEGCSA-N 1 0 333.367 2.460 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163059006 1321026157 /nfs/dbraw/zinc/02/61/57/1321026157.db2.gz APMIZUZLNCMHMO-LLVKDONJSA-N 1 0 335.795 2.088 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001163304351 1321092219 /nfs/dbraw/zinc/09/22/19/1321092219.db2.gz IDQNJHRPPJLDQF-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(-n2c3ccccc3nc2C2CC[NH2+]CC2)c1 ZINC001163758938 1321211358 /nfs/dbraw/zinc/21/13/58/1321211358.db2.gz WKOHIBLNLOSQQA-UHFFFAOYSA-N 1 0 339.355 2.034 20 5 EEBDRO CCc1ccccc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164491054 1321395241 /nfs/dbraw/zinc/39/52/41/1321395241.db2.gz YQSOBBVEUCNDKR-IAGOWNOFSA-N 1 0 345.443 2.290 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001165095911 1321453881 /nfs/dbraw/zinc/45/38/81/1321453881.db2.gz YYMHTPGTXPXWOK-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001165325130 1321501147 /nfs/dbraw/zinc/50/11/47/1321501147.db2.gz XEUMHYLOQKFDPC-CYBMUJFWSA-N 1 0 335.408 2.060 20 5 EEBDRO CCc1ncoc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001166282292 1321691980 /nfs/dbraw/zinc/69/19/80/1321691980.db2.gz ARLYUTUOQWNJBM-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1conc1C1CC1 ZINC001166432499 1321718619 /nfs/dbraw/zinc/71/86/19/1321718619.db2.gz GNDIHGANEAWGLW-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO [NH3+][C@@H]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC001166962107 1321826463 /nfs/dbraw/zinc/82/64/63/1321826463.db2.gz RDSJYOIPEINGIV-SNVBAGLBSA-N 1 0 343.721 2.364 20 5 EEBDRO [NH3+]CCN(Cc1cc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001308739272 1331603254 /nfs/dbraw/zinc/60/32/54/1331603254.db2.gz AIAYYUNPJPRYND-UHFFFAOYSA-N 1 0 338.371 2.345 20 5 EEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001326571858 1334117837 /nfs/dbraw/zinc/11/78/37/1334117837.db2.gz KXSAHWASXKDACP-KBPBESRZSA-N 1 0 349.387 2.163 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001326881334 1334176331 /nfs/dbraw/zinc/17/63/31/1334176331.db2.gz GGQZFJOGHGWFSW-KRWDZBQOSA-N 1 0 340.383 2.253 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001331436575 1335013700 /nfs/dbraw/zinc/01/37/00/1335013700.db2.gz YLIDRWIEKDZKQH-CYBMUJFWSA-N 1 0 332.404 2.352 20 5 EEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001345371234 1337441446 /nfs/dbraw/zinc/44/14/46/1337441446.db2.gz QPLXPHGMLMXJED-SJLPKXTDSA-N 1 0 325.368 2.268 20 5 EEBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC001349797415 1337648074 /nfs/dbraw/zinc/64/80/74/1337648074.db2.gz XZSHZGVGEGGXON-UHFFFAOYSA-N 1 0 346.431 2.408 20 5 EEBDRO CN1CCC[C@@H]1c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C ZINC001350516598 1337720097 /nfs/dbraw/zinc/72/00/97/1337720097.db2.gz CKKFCMJVNXSDSF-OAHLLOKOSA-N 1 0 342.403 2.053 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576613669 1344040127 /nfs/dbraw/zinc/04/01/27/1344040127.db2.gz XTHWBZOAJQPOFT-SCZZXKLOSA-N 1 0 337.767 2.220 20 5 EEBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC001580289388 1344507231 /nfs/dbraw/zinc/50/72/31/1344507231.db2.gz JQMFFDGSEBAYCG-MRXNPFEDSA-N 1 0 328.372 2.387 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC001580419827 1344518532 /nfs/dbraw/zinc/51/85/32/1344518532.db2.gz OMBSHQURAMPZPU-HDJSIYSDSA-N 1 0 332.404 2.195 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580682702 1344550123 /nfs/dbraw/zinc/55/01/23/1344550123.db2.gz QCCSQHHZIPBCEZ-KBMXLJTQSA-N 1 0 332.404 2.110 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C1CCC1)C1C[NH2+]C1 ZINC001580815507 1344562890 /nfs/dbraw/zinc/56/28/90/1344562890.db2.gz JERCEJGDLSGTQR-UHFFFAOYSA-N 1 0 330.388 2.136 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH2+][C@H](CCO)C1 ZINC001580872424 1344567204 /nfs/dbraw/zinc/56/72/04/1344567204.db2.gz GUAYMQJRIQSFGN-LLVKDONJSA-N 1 0 334.203 2.058 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589137373 1348964492 /nfs/dbraw/zinc/96/44/92/1348964492.db2.gz ZKDBIFLQCRNIOB-SNVBAGLBSA-N 1 0 331.380 2.060 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591184471 1349444537 /nfs/dbraw/zinc/44/45/37/1349444537.db2.gz OVAPOCNXLQTWQR-JTQLQIEISA-N 1 0 349.370 2.058 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604102882 1350858619 /nfs/dbraw/zinc/85/86/19/1350858619.db2.gz JDADTKAMUREJJD-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000853660767 1369364487 /nfs/dbraw/zinc/36/44/87/1369364487.db2.gz KDQKOAHZZITMKV-UHFFFAOYSA-N 1 0 343.374 2.450 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286343625 1369749767 /nfs/dbraw/zinc/74/97/67/1369749767.db2.gz VYTZEQCLZXDXDK-FUNVUKJBSA-N 1 0 348.359 2.200 20 5 EEBDRO CC[NH+](CC)C1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC001118992556 1371788498 /nfs/dbraw/zinc/78/84/98/1371788498.db2.gz NPEUUTARLXPWRA-SFHVURJKSA-N 1 0 348.447 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000838948752 1372878743 /nfs/dbraw/zinc/87/87/43/1372878743.db2.gz WZCGWKPUSUGQSX-GDAAHCPNSA-N 1 0 342.395 2.382 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001576484392 1403578332 /nfs/dbraw/zinc/57/83/32/1403578332.db2.gz VJJMOKYRZKKISF-WMLDXEAASA-N 1 0 335.404 2.090 20 5 EEBDRO CC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC001577818710 1403687752 /nfs/dbraw/zinc/68/77/52/1403687752.db2.gz ZGUNMRKWIQQMBA-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@H]21 ZINC001164666614 719400718 /nfs/dbraw/zinc/40/07/18/719400718.db2.gz LKRCLAGLPQIFPM-KGLIPLIRSA-N 1 0 348.790 2.316 20 5 EEBDRO COc1ncnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165050001 721970096 /nfs/dbraw/zinc/97/00/96/721970096.db2.gz XUKLTZFQVILGTE-CYBMUJFWSA-N 1 0 335.408 2.238 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)no1 ZINC001167462352 759672667 /nfs/dbraw/zinc/67/26/67/759672667.db2.gz PEFLLQRDIREBOV-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167674418 761104575 /nfs/dbraw/zinc/10/45/75/761104575.db2.gz PAQYQISLOZKZEH-UHFFFAOYSA-N 1 0 327.266 2.046 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000921077023 770954801 /nfs/dbraw/zinc/95/48/01/770954801.db2.gz DMLJBFJKUGRHRR-JTQLQIEISA-N 1 0 338.364 2.272 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000846694146 790419122 /nfs/dbraw/zinc/41/91/22/790419122.db2.gz NFQGHYGAIAOXIE-HZMBPMFUSA-N 1 0 336.348 2.093 20 5 EEBDRO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137556 776582772 /nfs/dbraw/zinc/58/27/72/776582772.db2.gz WPSFTIWXBLAZGX-NVXWUHKLSA-N 1 0 331.416 2.003 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001091397649 790548722 /nfs/dbraw/zinc/54/87/22/790548722.db2.gz LTESXRHBPGAJRV-OTVXOJSOSA-N 1 0 334.420 2.162 20 5 EEBDRO O=C(C(F)F)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981570662 777688875 /nfs/dbraw/zinc/68/88/75/777688875.db2.gz AQRCNTXRLXYCPE-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3(Br)CC3)CC2)n1 ZINC000846880597 790693212 /nfs/dbraw/zinc/69/32/12/790693212.db2.gz IQNXGLJXWSJPES-UHFFFAOYSA-N 1 0 329.198 2.356 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893877117 780267582 /nfs/dbraw/zinc/26/75/82/780267582.db2.gz UBULLUIIWMZRIA-UHFFFAOYSA-N 1 0 346.431 2.453 20 5 EEBDRO CC(C)(O)CC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997728701 790909290 /nfs/dbraw/zinc/90/92/90/790909290.db2.gz USUKSWSBEBYNJY-UHFFFAOYSA-N 1 0 349.431 2.084 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000906711819 784094354 /nfs/dbraw/zinc/09/43/54/784094354.db2.gz SGZPRSXELGCFCF-SNVBAGLBSA-N 1 0 340.811 2.244 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001135643769 784148924 /nfs/dbraw/zinc/14/89/24/784148924.db2.gz WRJYYTRGRQIHDR-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000817277777 784655605 /nfs/dbraw/zinc/65/56/05/784655605.db2.gz MLVFVLNKMCUTSM-VXGBXAGGSA-N 1 0 339.367 2.013 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000818982343 785350531 /nfs/dbraw/zinc/35/05/31/785350531.db2.gz LAFSQCSDJVKPPE-CQSZACIVSA-N 1 0 347.337 2.245 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083316 785394149 /nfs/dbraw/zinc/39/41/49/785394149.db2.gz ZFRIRDLUGQBBKS-WBVHZDCISA-N 1 0 328.372 2.394 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000910287571 786620037 /nfs/dbraw/zinc/62/00/37/786620037.db2.gz LHVARBZRPZBQAV-LBPRGKRZSA-N 1 0 339.367 2.055 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3CC[NH2+][C@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823146280 787567238 /nfs/dbraw/zinc/56/72/38/787567238.db2.gz NXXMKLJYTDFKNK-JOYOIKCWSA-N 1 0 348.359 2.051 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000823456946 787758635 /nfs/dbraw/zinc/75/86/35/787758635.db2.gz UNOKPCXSCSGDTO-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000823671718 787864427 /nfs/dbraw/zinc/86/44/27/787864427.db2.gz UGYWQVFMJGOQRL-IRXDYDNUSA-N 1 0 343.383 2.047 20 5 EEBDRO Cc1conc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997153453 789264875 /nfs/dbraw/zinc/26/48/75/789264875.db2.gz SVWMNJKKZNLZFZ-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncccc1Cl ZINC001148497787 792490032 /nfs/dbraw/zinc/49/00/32/792490032.db2.gz PDCSGQGDSBOBPQ-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CCCCCCOCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149025636 792856643 /nfs/dbraw/zinc/85/66/43/792856643.db2.gz IFELLRQZNFLKIT-UHFFFAOYSA-N 1 0 343.449 2.459 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(Br)c(F)nc21 ZINC001234552041 795296897 /nfs/dbraw/zinc/29/68/97/795296897.db2.gz CYEDGRCFUILARV-QMMMGPOBSA-N 1 0 344.208 2.400 20 5 EEBDRO Cc1cnc(NCCNC(=O)CCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001093648109 795512664 /nfs/dbraw/zinc/51/26/64/795512664.db2.gz GBMNMPCDGFDZLD-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089958101 795580869 /nfs/dbraw/zinc/58/08/69/795580869.db2.gz IPLHENCRRGQAJD-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001093889062 795767165 /nfs/dbraw/zinc/76/71/65/795767165.db2.gz PDFFMCVJHJDHMY-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[NH+](C)C1(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001094622933 796494185 /nfs/dbraw/zinc/49/41/85/796494185.db2.gz XZSANOODYNHCMZ-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C)CC1 ZINC001106789461 796565714 /nfs/dbraw/zinc/56/57/14/796565714.db2.gz OIARJSYVEZZNDM-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)CC2 ZINC001172914160 797148477 /nfs/dbraw/zinc/14/84/77/797148477.db2.gz DJJCJEOBBKQCSD-IEBWSBKVSA-N 1 0 345.443 2.249 20 5 EEBDRO C[N@H+](CCN1CCOCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909576 797168204 /nfs/dbraw/zinc/16/82/04/797168204.db2.gz SRSPTKURBNKEON-QGZVFWFLSA-N 1 0 333.432 2.106 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2noc(C)n2)c1F ZINC001173176670 797277437 /nfs/dbraw/zinc/27/74/37/797277437.db2.gz LIXLBGBSEUOPCV-VIFPVBQESA-N 1 0 338.339 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2(C)OCCO2)c1F ZINC001173178765 797277858 /nfs/dbraw/zinc/27/78/58/797277858.db2.gz LZDHOMDKHNHPKE-NSHDSACASA-N 1 0 342.367 2.416 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)c1F ZINC001173192785 797282954 /nfs/dbraw/zinc/28/29/54/797282954.db2.gz RBGATJHPHXZZFI-WDEREUQCSA-N 1 0 342.367 2.415 20 5 EEBDRO COC(=O)c1cccnc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219642 797300661 /nfs/dbraw/zinc/30/06/61/797300661.db2.gz OQOUKYXZSHUQDL-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO CCOC(=O)c1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1C[NH3+] ZINC001173229159 797310901 /nfs/dbraw/zinc/31/09/01/797310901.db2.gz QPXHBAUENXHSBV-NSHDSACASA-N 1 0 332.360 2.230 20 5 EEBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227125 797310935 /nfs/dbraw/zinc/31/09/35/797310935.db2.gz OFRBZEVGOBRFQD-CZUORRHYSA-N 1 0 348.399 2.370 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001173237162 797321550 /nfs/dbraw/zinc/32/15/50/797321550.db2.gz INUSATZKKXLXTL-FRFSOERESA-N 1 0 331.416 2.469 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000823484749 798737877 /nfs/dbraw/zinc/73/78/77/798737877.db2.gz XELQPFMDBMBOND-DGCLKSJQSA-N 1 0 337.424 2.073 20 5 EEBDRO COCCC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177692041 799084379 /nfs/dbraw/zinc/08/43/79/799084379.db2.gz QXTTYJGCJNGUKR-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001168707470 799565789 /nfs/dbraw/zinc/56/57/89/799565789.db2.gz ITLGCXFZLPOZDD-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO CC(C)CCCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001168715613 800008974 /nfs/dbraw/zinc/00/89/74/800008974.db2.gz PNPUUNCXWHIQBR-UHFFFAOYSA-N 1 0 339.440 2.141 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000786813871 806910080 /nfs/dbraw/zinc/91/00/80/806910080.db2.gz NIXVOZQDYNPIPH-BUSCQBHZSA-N 1 0 331.416 2.451 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2CC1 ZINC000946589389 801544087 /nfs/dbraw/zinc/54/40/87/801544087.db2.gz WUUOCJSLSHQABW-XMTFNYHQSA-N 1 0 349.475 2.402 20 5 EEBDRO CN(C(=O)C(F)F)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005017729 803466717 /nfs/dbraw/zinc/46/67/17/803466717.db2.gz MITZTEQZVJQIHG-UHFFFAOYSA-N 1 0 327.331 2.283 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168962422 803551157 /nfs/dbraw/zinc/55/11/57/803551157.db2.gz MOZLJFHGGCSRTK-IATRGZMQSA-N 1 0 325.409 2.031 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962964 803551526 /nfs/dbraw/zinc/55/15/26/803551526.db2.gz NMRLHFCRWBCGLX-CRWXNKLISA-N 1 0 345.415 2.369 20 5 EEBDRO COc1ccccc1Cn1cncc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997429 803563441 /nfs/dbraw/zinc/56/34/41/803563441.db2.gz ZILQEXLDPWNPAV-GDBMZVCRSA-N 1 0 344.415 2.475 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)C1 ZINC001168998814 803563832 /nfs/dbraw/zinc/56/38/32/803563832.db2.gz QGYOMQHTCSYYKN-DZGCQCFKSA-N 1 0 337.395 2.304 20 5 EEBDRO Cc1cccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168999998 803565392 /nfs/dbraw/zinc/56/53/92/803565392.db2.gz WRLVGTQIGHXQSJ-JKSUJKDBSA-N 1 0 333.432 2.473 20 5 EEBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCO2 ZINC001169001865 803567011 /nfs/dbraw/zinc/56/70/11/803567011.db2.gz IEBJXYMJUKTXNC-OSAQELSMSA-N 1 0 334.372 2.332 20 5 EEBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCO2 ZINC001169001868 803567147 /nfs/dbraw/zinc/56/71/47/803567147.db2.gz IEBJXYMJUKTXNC-UXIGCNINSA-N 1 0 334.372 2.332 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010301 803570780 /nfs/dbraw/zinc/57/07/80/803570780.db2.gz CMPXHEAJXRZUQG-XQLPTFJDSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169012488 803571398 /nfs/dbraw/zinc/57/13/98/803571398.db2.gz QOIZOCFUGXGGTE-BYNSBNAKSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169014053 803571736 /nfs/dbraw/zinc/57/17/36/803571736.db2.gz YNKKAHLUKYIYIG-ZBUZPQQSSA-N 1 0 339.436 2.421 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038439 803582230 /nfs/dbraw/zinc/58/22/30/803582230.db2.gz YWEPFXYCXPBGKH-MCIONIFRSA-N 1 0 327.425 2.421 20 5 EEBDRO COC(=O)c1ccccc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039790 803582743 /nfs/dbraw/zinc/58/27/43/803582743.db2.gz TZGCDILIGKETFO-HUUCEWRRSA-N 1 0 347.415 2.041 20 5 EEBDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022224 803588522 /nfs/dbraw/zinc/58/85/22/803588522.db2.gz QWRZCNJRMGTTJB-MWDXBVQZSA-N 1 0 326.437 2.339 20 5 EEBDRO COc1ccc(CN2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169022458 803589399 /nfs/dbraw/zinc/58/93/99/803589399.db2.gz BSEJHXABJPSRLJ-SJORKVTESA-N 1 0 333.432 2.258 20 5 EEBDRO COc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169050620 803595026 /nfs/dbraw/zinc/59/50/26/803595026.db2.gz BYRBVNDDNZMDKD-SQWLQELKSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1ccc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc1 ZINC001169056354 803597583 /nfs/dbraw/zinc/59/75/83/803597583.db2.gz SJIPCVVSPULFPG-HIFRSBDPSA-N 1 0 334.420 2.094 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169057876 803598256 /nfs/dbraw/zinc/59/82/56/803598256.db2.gz YNQKHLSZLPKPLN-LLLHUVSDSA-N 1 0 332.400 2.320 20 5 EEBDRO CC(C)[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+](C)C ZINC000787958365 807314750 /nfs/dbraw/zinc/31/47/50/807314750.db2.gz BKPOXENXXHOHSU-CQSZACIVSA-N 1 0 338.360 2.091 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000789509353 808033498 /nfs/dbraw/zinc/03/34/98/808033498.db2.gz UMCAPBRSTZHVPL-LSDHHAIUSA-N 1 0 331.376 2.249 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000792122542 809624559 /nfs/dbraw/zinc/62/45/59/809624559.db2.gz YGPFVKVINSAKLQ-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO COC(=O)C1(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170297182 809870001 /nfs/dbraw/zinc/87/00/01/809870001.db2.gz LSBZXNJFSDFYAB-GFCCVEGCSA-N 1 0 336.388 2.467 20 5 EEBDRO CCOc1cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001170284062 809879802 /nfs/dbraw/zinc/87/98/02/809879802.db2.gz ORKUEHHNNYDTQG-OAGGEKHMSA-N 1 0 339.392 2.130 20 5 EEBDRO COCCn1cnc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170323384 809890148 /nfs/dbraw/zinc/89/01/48/809890148.db2.gz JHFZIXQEANHQIE-CYBMUJFWSA-N 1 0 348.403 2.167 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C2CN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170328012 809892408 /nfs/dbraw/zinc/89/24/08/809892408.db2.gz TYJBUKVVURYKTO-JTQLQIEISA-N 1 0 347.337 2.371 20 5 EEBDRO COCc1ccccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130771167 812015773 /nfs/dbraw/zinc/01/57/73/812015773.db2.gz HNAMKUUKLYZPGG-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001131094352 812388398 /nfs/dbraw/zinc/38/83/98/812388398.db2.gz OOHYUPPGEXUIMS-UHFFFAOYSA-N 1 0 349.431 2.253 20 5 EEBDRO C[N@H+](CCCCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174737890 529885675 /nfs/dbraw/zinc/88/56/75/529885675.db2.gz XMIXCXLZKMSERV-QGZVFWFLSA-N 1 0 332.404 2.107 20 5 EEBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261707940 290827646 /nfs/dbraw/zinc/82/76/46/290827646.db2.gz JSXOYOOWFWKQSC-MGPQQGTHSA-N 1 0 348.447 2.415 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104149555 219352863 /nfs/dbraw/zinc/35/28/63/219352863.db2.gz UIPPCCZKUCUNGW-ZDUSSCGKSA-N 1 0 334.420 2.336 20 5 EEBDRO Cc1ncsc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181863878 234357906 /nfs/dbraw/zinc/35/79/06/234357906.db2.gz CWJVHBBBIXAPAI-GFCCVEGCSA-N 1 0 337.401 2.231 20 5 EEBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000072897776 216326374 /nfs/dbraw/zinc/32/63/74/216326374.db2.gz XLFFBCQJNAZJCS-PBHICJAKSA-N 1 0 335.404 2.329 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000422729535 240196239 /nfs/dbraw/zinc/19/62/39/240196239.db2.gz KVDXJWPMCYYMQW-JTQLQIEISA-N 1 0 329.809 2.209 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422782289 240222675 /nfs/dbraw/zinc/22/26/75/240222675.db2.gz JRXKOFMQUIXHPJ-NSHDSACASA-N 1 0 339.370 2.302 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193673935 240260445 /nfs/dbraw/zinc/26/04/45/240260445.db2.gz SZTLWXPNLUXPRA-BZNIZROVSA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000236721302 242333534 /nfs/dbraw/zinc/33/35/34/242333534.db2.gz GBIPAINQMLKLOV-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000451547150 243154285 /nfs/dbraw/zinc/15/42/85/243154285.db2.gz KIQAYWRTNANUDV-INIZCTEOSA-N 1 0 347.415 2.023 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCN3CCOCC3)C2)cc1 ZINC000451553154 243155845 /nfs/dbraw/zinc/15/58/45/243155845.db2.gz XQNZTLKKPAZRSE-KRWDZBQOSA-N 1 0 333.432 2.497 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451498166 243134439 /nfs/dbraw/zinc/13/44/39/243134439.db2.gz MVQAAVZQCBGHAI-GJZGRUSLSA-N 1 0 349.387 2.296 20 5 EEBDRO Cc1sc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451886782 243290377 /nfs/dbraw/zinc/29/03/77/243290377.db2.gz IYHWBXNWHQKHBQ-UHFFFAOYSA-N 1 0 349.478 2.363 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000451890137 243295601 /nfs/dbraw/zinc/29/56/01/243295601.db2.gz OOYPNCUPUWFFDR-WBMJQRKESA-N 1 0 343.387 2.267 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000453030447 243378761 /nfs/dbraw/zinc/37/87/61/243378761.db2.gz HDSZHIVUEBHONC-NJAFHUGGSA-N 1 0 332.400 2.455 20 5 EEBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000111264726 220125442 /nfs/dbraw/zinc/12/54/42/220125442.db2.gz GVCZJTCKLAPHNJ-ZDUSSCGKSA-N 1 0 335.404 2.340 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264209629 246185914 /nfs/dbraw/zinc/18/59/14/246185914.db2.gz RZKPILHRAGPAOQ-ZDUSSCGKSA-N 1 0 345.355 2.287 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265206536 247297140 /nfs/dbraw/zinc/29/71/40/247297140.db2.gz AEHUKUMCCZSISX-AWEZNQCLSA-N 1 0 344.415 2.350 20 5 EEBDRO COC1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265266899 247353762 /nfs/dbraw/zinc/35/37/62/247353762.db2.gz ZPJBBNKMKHGXRS-OGVSOVDVSA-N 1 0 338.404 2.224 20 5 EEBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266542862 248352209 /nfs/dbraw/zinc/35/22/09/248352209.db2.gz QLJNWOLXCVPEDC-ZMSDIMECSA-N 1 0 344.415 2.339 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000339937646 284716208 /nfs/dbraw/zinc/71/62/08/284716208.db2.gz SZCRMBMLHSNARO-ZDUSSCGKSA-N 1 0 337.424 2.036 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000097349182 219013350 /nfs/dbraw/zinc/01/33/50/219013350.db2.gz KLRBJDLOWQKVRK-VIFPVBQESA-N 1 0 347.156 2.363 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267654678 256076338 /nfs/dbraw/zinc/07/63/38/256076338.db2.gz LQLAMQAKJCULFG-UHFFFAOYSA-N 1 0 347.415 2.484 20 5 EEBDRO NC(=O)CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000271091206 256207349 /nfs/dbraw/zinc/20/73/49/256207349.db2.gz HNKNZNMZWNUPEU-UHFFFAOYSA-N 1 0 332.360 2.214 20 5 EEBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000271323012 256233004 /nfs/dbraw/zinc/23/30/04/256233004.db2.gz PHJWZDPZPLVRAO-SNVBAGLBSA-N 1 0 349.416 2.061 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271725248 256237903 /nfs/dbraw/zinc/23/79/03/256237903.db2.gz RBKVJSUDQHZRTC-LSDHHAIUSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1ccnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273250746 256280725 /nfs/dbraw/zinc/28/07/25/256280725.db2.gz UXYUHBDYAQXEGE-MRXNPFEDSA-N 1 0 342.399 2.477 20 5 EEBDRO CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000273506719 256302398 /nfs/dbraw/zinc/30/23/98/256302398.db2.gz NATCHHOQLFWUOE-HZPDHXFCSA-N 1 0 349.456 2.176 20 5 EEBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273640566 256314576 /nfs/dbraw/zinc/31/45/76/256314576.db2.gz SBALGXNRDDJIID-AWEZNQCLSA-N 1 0 342.403 2.007 20 5 EEBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275994142 256393901 /nfs/dbraw/zinc/39/39/01/256393901.db2.gz NWZBBEXNRARYSF-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864210 286220104 /nfs/dbraw/zinc/22/01/04/286220104.db2.gz WSIVUOJXFPBPSK-VHSXEESVSA-N 1 0 345.346 2.374 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262522369 152287739 /nfs/dbraw/zinc/28/77/39/152287739.db2.gz YCHLFTDRUDQQGL-UHFFFAOYSA-N 1 0 332.385 2.200 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261797941 160418267 /nfs/dbraw/zinc/41/82/67/160418267.db2.gz LMZRXRPGFCRCHC-MNOVXSKESA-N 1 0 341.795 2.213 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1SC ZINC000261994974 160432349 /nfs/dbraw/zinc/43/23/49/160432349.db2.gz PIDYHYQQFFPAJZ-ZJUUUORDSA-N 1 0 339.417 2.135 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC000067269876 159009232 /nfs/dbraw/zinc/00/92/32/159009232.db2.gz NWJLPCHMDPVHGQ-NSHDSACASA-N 1 0 338.383 2.166 20 5 EEBDRO O=[N+]([O-])c1cccc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000075777487 159076872 /nfs/dbraw/zinc/07/68/72/159076872.db2.gz MVXHKCALXJYLKC-IBGZPJMESA-N 1 0 341.411 2.104 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000078593397 159120554 /nfs/dbraw/zinc/12/05/54/159120554.db2.gz ZGOPOMQXHDJDEM-LBPRGKRZSA-N 1 0 337.424 2.121 20 5 EEBDRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000194928263 160202500 /nfs/dbraw/zinc/20/25/00/160202500.db2.gz GOXSXNAIBBROFN-ZDUSSCGKSA-N 1 0 331.376 2.423 20 5 EEBDRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000194933005 160202675 /nfs/dbraw/zinc/20/26/75/160202675.db2.gz BODHIMPVAWXLPD-ZDUSSCGKSA-N 1 0 331.376 2.423 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000341976486 161028866 /nfs/dbraw/zinc/02/88/66/161028866.db2.gz XWNCJNBASRDTFL-SNVBAGLBSA-N 1 0 349.478 2.363 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342761915 161088627 /nfs/dbraw/zinc/08/86/27/161088627.db2.gz UAORBGJDKMUZBZ-NILFDRSVSA-N 1 0 335.429 2.273 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000343057135 161098935 /nfs/dbraw/zinc/09/89/35/161098935.db2.gz QORMLTQXDMTNRL-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO Cn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000343380240 161130016 /nfs/dbraw/zinc/13/00/16/161130016.db2.gz ASLFWHFAIKLBJJ-CQPIPWFBSA-N 1 0 328.372 2.461 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000343759502 161165691 /nfs/dbraw/zinc/16/56/91/161165691.db2.gz CNNBKHQXXPEBLJ-VXGBXAGGSA-N 1 0 333.388 2.349 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000343934993 161181988 /nfs/dbraw/zinc/18/19/88/161181988.db2.gz WFOOZPZSHQJFAP-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000344845201 161250626 /nfs/dbraw/zinc/25/06/26/161250626.db2.gz ZOCVYHHWCCFHOG-UONOGXRCSA-N 1 0 335.404 2.271 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000352915379 162345134 /nfs/dbraw/zinc/34/51/34/162345134.db2.gz OOTLNHMTOFGYOQ-YOEHRIQHSA-N 1 0 348.447 2.456 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1csc([N+](=O)[O-])c1 ZINC000355226940 163115773 /nfs/dbraw/zinc/11/57/73/163115773.db2.gz ULHNQFPVLZEGCI-MGPQQGTHSA-N 1 0 325.434 2.340 20 5 EEBDRO CN(CC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000355342060 163152693 /nfs/dbraw/zinc/15/26/93/163152693.db2.gz NSHBAVNEUWUXND-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000360173569 164250749 /nfs/dbraw/zinc/25/07/49/164250749.db2.gz PSRWMWQVOOJXKT-CQSZACIVSA-N 1 0 341.367 2.499 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295966 164277874 /nfs/dbraw/zinc/27/78/74/164277874.db2.gz KOQKGLAMUIGLJQ-HIFRSBDPSA-N 1 0 342.399 2.184 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000360407730 164302740 /nfs/dbraw/zinc/30/27/40/164302740.db2.gz OVWOSRZNZWPFIE-STQMWFEESA-N 1 0 334.376 2.352 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000364659794 165224157 /nfs/dbraw/zinc/22/41/57/165224157.db2.gz PXWMQSSKKKTPCU-NXEZZACHSA-N 1 0 345.446 2.099 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000374429920 167041159 /nfs/dbraw/zinc/04/11/59/167041159.db2.gz QOQIJWSICUXFIC-KBAYOESNSA-N 1 0 349.431 2.157 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000375469445 167141382 /nfs/dbraw/zinc/14/13/82/167141382.db2.gz AJIVRBUZVYTFGC-JKSUJKDBSA-N 1 0 349.431 2.207 20 5 EEBDRO [NH3+]C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000159133001 225153413 /nfs/dbraw/zinc/15/34/13/225153413.db2.gz DZMLUMIFPGTIKP-INIZCTEOSA-N 1 0 335.407 2.008 20 5 EEBDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000245994286 292597662 /nfs/dbraw/zinc/59/76/62/292597662.db2.gz DYPBTRUOQMQJAG-PMPSAXMXSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123814382 222335615 /nfs/dbraw/zinc/33/56/15/222335615.db2.gz TWKOSXUQVNSSIM-WFASDCNBSA-N 1 0 335.404 2.376 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123473975 222283942 /nfs/dbraw/zinc/28/39/42/222283942.db2.gz YYENGYYIIZJPHF-UHFFFAOYSA-N 1 0 328.372 2.359 20 5 EEBDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000274352474 269026767 /nfs/dbraw/zinc/02/67/67/269026767.db2.gz DKODRZUNPCPLQX-CQSZACIVSA-N 1 0 326.393 2.315 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278444754 269232278 /nfs/dbraw/zinc/23/22/78/269232278.db2.gz HUQVTIUJJKLVSX-OAHLLOKOSA-N 1 0 349.431 2.145 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000358041727 273748200 /nfs/dbraw/zinc/74/82/00/273748200.db2.gz UTORBFLJUZPLQJ-NFAWXSAZSA-N 1 0 340.445 2.453 20 5 EEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000189002899 274091421 /nfs/dbraw/zinc/09/14/21/274091421.db2.gz UONJHICLCKFDOH-GFCCVEGCSA-N 1 0 335.404 2.374 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCC(F)F ZINC000188758838 533689225 /nfs/dbraw/zinc/68/92/25/533689225.db2.gz LSQVBYBSLWKLIP-SNVBAGLBSA-N 1 0 331.319 2.183 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279044363 274428457 /nfs/dbraw/zinc/42/84/57/274428457.db2.gz JOWFTEVNXKQXBA-CQSZACIVSA-N 1 0 326.418 2.342 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285997427 274825727 /nfs/dbraw/zinc/82/57/27/274825727.db2.gz YCOWWKNLXLZZRF-ZFWWWQNUSA-N 1 0 333.388 2.059 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287771327 274991037 /nfs/dbraw/zinc/99/10/37/274991037.db2.gz NSYDCYOSYYOFPI-UHFFFAOYSA-N 1 0 331.376 2.166 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246977314 275030172 /nfs/dbraw/zinc/03/01/72/275030172.db2.gz XZTVTCMKPROHCH-IAOVAPTHSA-N 1 0 345.399 2.201 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000288180474 275032388 /nfs/dbraw/zinc/03/23/88/275032388.db2.gz RAASCZUROUZONY-UHFFFAOYSA-N 1 0 343.431 2.484 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000289132574 275100746 /nfs/dbraw/zinc/10/07/46/275100746.db2.gz RNZJGPMQHHGMOZ-UHFFFAOYSA-N 1 0 346.378 2.492 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000289262788 275106595 /nfs/dbraw/zinc/10/65/95/275106595.db2.gz DGDBGFQOXITEJR-HNNXBMFYSA-N 1 0 340.383 2.468 20 5 EEBDRO Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290775899 275238463 /nfs/dbraw/zinc/23/84/63/275238463.db2.gz MRHSPBWHDLRLJN-TXEJJXNPSA-N 1 0 349.412 2.463 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000292176115 275388550 /nfs/dbraw/zinc/38/85/50/275388550.db2.gz WKEZXTMRXFYZBS-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000261574439 279727299 /nfs/dbraw/zinc/72/72/99/279727299.db2.gz XOOMGQAUJGJNAR-DTWKUNHWSA-N 1 0 329.198 2.173 20 5 EEBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000342471405 279878627 /nfs/dbraw/zinc/87/86/27/279878627.db2.gz JCZCQFASHVOABE-DZGCQCFKSA-N 1 0 336.411 2.196 20 5 EEBDRO Cc1cc(N[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322414762 280629349 /nfs/dbraw/zinc/62/93/49/280629349.db2.gz XEUDUNIFNURKDK-LLVKDONJSA-N 1 0 335.385 2.441 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000282038248 292806093 /nfs/dbraw/zinc/80/60/93/292806093.db2.gz UISDXIOCHBMQBY-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO CC(C)[C@]1(CO)CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000293048379 293111435 /nfs/dbraw/zinc/11/14/35/293111435.db2.gz MPXGYRLKZODVDL-GOSISDBHSA-N 1 0 349.431 2.288 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCC(F)(F)F ZINC000293496188 293223078 /nfs/dbraw/zinc/22/30/78/293223078.db2.gz ZHKLONSRTUXQOB-LBPRGKRZSA-N 1 0 336.310 2.009 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000293714828 293276851 /nfs/dbraw/zinc/27/68/51/293276851.db2.gz ORUCDLFKRFPDDB-CQSZACIVSA-N 1 0 331.416 2.470 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000297959581 294383272 /nfs/dbraw/zinc/38/32/72/294383272.db2.gz VBLKZJLKUGHBNZ-OAHLLOKOSA-N 1 0 325.315 2.041 20 5 EEBDRO C[NH+](C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000412557251 312686030 /nfs/dbraw/zinc/68/60/30/312686030.db2.gz IHAJEHASWXSZBV-UHFFFAOYSA-N 1 0 335.339 2.021 20 5 EEBDRO Cc1cccc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000413483552 312870914 /nfs/dbraw/zinc/87/09/14/312870914.db2.gz RPHVALJBVMOQPO-UHFFFAOYSA-N 1 0 348.447 2.112 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415572474 313146564 /nfs/dbraw/zinc/14/65/64/313146564.db2.gz BHBZAMFZRIAICC-DGCLKSJQSA-N 1 0 336.392 2.446 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415661247 313164082 /nfs/dbraw/zinc/16/40/82/313164082.db2.gz QAJMBDCNZWUSTH-VXGBXAGGSA-N 1 0 334.376 2.067 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417770955 313590463 /nfs/dbraw/zinc/59/04/63/313590463.db2.gz UWZXRZMEBJDISQ-HNNXBMFYSA-N 1 0 334.420 2.215 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425070264 314329321 /nfs/dbraw/zinc/32/93/21/314329321.db2.gz WHMABMJSFIIVIG-BLLLJJGKSA-N 1 0 333.388 2.160 20 5 EEBDRO C[S@](=O)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000436295764 314955189 /nfs/dbraw/zinc/95/51/89/314955189.db2.gz ZTIFPUADKLPKKX-XCMOZONUSA-N 1 0 340.449 2.166 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000515621222 316508640 /nfs/dbraw/zinc/50/86/40/316508640.db2.gz JGLXGDANUBBFNU-NWANDNLSSA-N 1 0 344.415 2.051 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000524672493 317021175 /nfs/dbraw/zinc/02/11/75/317021175.db2.gz GJAGFJXUJQHRGB-CQSZACIVSA-N 1 0 347.415 2.279 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)COC ZINC000535063895 317961830 /nfs/dbraw/zinc/96/18/30/317961830.db2.gz JQTBRLZXJOALCJ-SWLSCSKDSA-N 1 0 328.434 2.453 20 5 EEBDRO CC(C)OC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542278840 318125650 /nfs/dbraw/zinc/12/56/50/318125650.db2.gz RXBKUYISDDCMRM-AWEZNQCLSA-N 1 0 338.404 2.224 20 5 EEBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000543503342 318159990 /nfs/dbraw/zinc/15/99/90/318159990.db2.gz NDYICHPIOJKPBM-UKRRQHHQSA-N 1 0 348.403 2.463 20 5 EEBDRO CCc1nncn1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000545973074 318237312 /nfs/dbraw/zinc/23/73/12/318237312.db2.gz XCJNZAKRDWDFSP-HNNXBMFYSA-N 1 0 329.404 2.360 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000546704396 318261847 /nfs/dbraw/zinc/26/18/47/318261847.db2.gz CNTCKARRLKSGDL-NSHDSACASA-N 1 0 331.376 2.180 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553169961 318524816 /nfs/dbraw/zinc/52/48/16/318524816.db2.gz JGJSFKMRDBZFFW-NEPJUHHUSA-N 1 0 347.371 2.022 20 5 EEBDRO Cc1nn(C)c(C)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558580993 318717328 /nfs/dbraw/zinc/71/73/28/318717328.db2.gz ZYFVRTLKCOAVAU-UHFFFAOYSA-N 1 0 331.376 2.064 20 5 EEBDRO O=C(CC[NH2+][C@@H]1c2ccccc2C[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000564571301 319091929 /nfs/dbraw/zinc/09/19/29/319091929.db2.gz LTWJJBIMDDRVBR-FUHWJXTLSA-N 1 0 341.367 2.171 20 5 EEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000566231239 319262880 /nfs/dbraw/zinc/26/28/80/319262880.db2.gz NUVKWIIMECWHJZ-NOZJJQNGSA-N 1 0 349.309 2.215 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567363175 319373937 /nfs/dbraw/zinc/37/39/37/319373937.db2.gz IUSUHZMURFQWEC-ZKHDCCDFSA-N 1 0 344.415 2.178 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000567876039 319429789 /nfs/dbraw/zinc/42/97/89/319429789.db2.gz HCMDCHUPTCLYLR-WBVHZDCISA-N 1 0 346.431 2.448 20 5 EEBDRO CCOC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000568976678 319535279 /nfs/dbraw/zinc/53/52/79/319535279.db2.gz BVHUCPMAQKIADD-CQSZACIVSA-N 1 0 338.404 2.273 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571396418 319752045 /nfs/dbraw/zinc/75/20/45/319752045.db2.gz FPHRUNYMWCRIGE-FZMZJTMJSA-N 1 0 349.387 2.333 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CC[C@H](CC3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000575476544 320106598 /nfs/dbraw/zinc/10/65/98/320106598.db2.gz LNRIGDXQUKVTEZ-CJNGLKHVSA-N 1 0 343.383 2.349 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000182500969 323376892 /nfs/dbraw/zinc/37/68/92/323376892.db2.gz GZJBTFZASCCWHC-ZBFHGGJFSA-N 1 0 332.404 2.221 20 5 EEBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000581860362 324329345 /nfs/dbraw/zinc/32/93/45/324329345.db2.gz NYACYHKPZKOGMP-QWHCGFSZSA-N 1 0 346.330 2.454 20 5 EEBDRO C[NH+](C)CC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000341181025 465036047 /nfs/dbraw/zinc/03/60/47/465036047.db2.gz FJZMKSVZYLKLOW-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296283975 465142870 /nfs/dbraw/zinc/14/28/70/465142870.db2.gz OXCLEYNIERQSHI-MAZHCROVSA-N 1 0 336.388 2.385 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000351501640 465188768 /nfs/dbraw/zinc/18/87/68/465188768.db2.gz JILNQYYVHMRLHW-WBVHZDCISA-N 1 0 335.404 2.373 20 5 EEBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859862 465197604 /nfs/dbraw/zinc/19/76/04/465197604.db2.gz CRWRJZHQZCWBNN-RDJZCZTQSA-N 1 0 347.394 2.031 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154087 465296588 /nfs/dbraw/zinc/29/65/88/465296588.db2.gz UMOPNJAZJHWQPB-SJKOYZFVSA-N 1 0 344.415 2.145 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000590569619 468274731 /nfs/dbraw/zinc/27/47/31/468274731.db2.gz PGRHJNXVPPUXOY-GZMMTYOYSA-N 1 0 329.198 2.281 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590658703 468298583 /nfs/dbraw/zinc/29/85/83/468298583.db2.gz YNUDBZQEWSPOCM-DFBGVHRSSA-N 1 0 349.387 2.243 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590663660 468299118 /nfs/dbraw/zinc/29/91/18/468299118.db2.gz VOIFZMSPPZOWON-UHFFFAOYSA-N 1 0 335.404 2.330 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000074137024 462560824 /nfs/dbraw/zinc/56/08/24/462560824.db2.gz QHJUQGHELITZGR-LBPRGKRZSA-N 1 0 333.392 2.177 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074297251 462581819 /nfs/dbraw/zinc/58/18/19/462581819.db2.gz BRWQSFMTONWXJY-MRXNPFEDSA-N 1 0 331.416 2.328 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127882745 462590761 /nfs/dbraw/zinc/59/07/61/462590761.db2.gz UTBHROLSCALHLD-AWEZNQCLSA-N 1 0 346.431 2.219 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000114198174 462631634 /nfs/dbraw/zinc/63/16/34/462631634.db2.gz ZWCPKMUHPLNPIA-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114460264 462648871 /nfs/dbraw/zinc/64/88/71/462648871.db2.gz XZKHURBPKTUUCO-CVEARBPZSA-N 1 0 335.404 2.183 20 5 EEBDRO CCC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CCN1CCOC ZINC000128545623 462650495 /nfs/dbraw/zinc/65/04/95/462650495.db2.gz TZYZKCLSBRKTEX-MRXNPFEDSA-N 1 0 349.431 2.476 20 5 EEBDRO Cc1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644995 462702695 /nfs/dbraw/zinc/70/26/95/462702695.db2.gz LXBKSPCWQHSVBW-JKSUJKDBSA-N 1 0 342.399 2.346 20 5 EEBDRO CN(CC[NH+]1CCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000118887971 462859557 /nfs/dbraw/zinc/85/95/57/462859557.db2.gz CQNJOVBPMJZITL-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133289233 462916764 /nfs/dbraw/zinc/91/67/64/462916764.db2.gz JQCBPSGLEJBNES-UHFFFAOYSA-N 1 0 334.420 2.492 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000077703420 463026224 /nfs/dbraw/zinc/02/62/24/463026224.db2.gz PITLNGZGXAGNMB-UHFFFAOYSA-N 1 0 347.824 2.012 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077786573 463048202 /nfs/dbraw/zinc/04/82/02/463048202.db2.gz NKGVKJGCUUUAFL-INIZCTEOSA-N 1 0 332.404 2.017 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000068264135 463113346 /nfs/dbraw/zinc/11/33/46/463113346.db2.gz XLUXCYMDMOSLBO-UHFFFAOYSA-N 1 0 325.413 2.119 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000078504744 463123276 /nfs/dbraw/zinc/12/32/76/463123276.db2.gz RJBILCDGDVKNQV-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000068798956 463177725 /nfs/dbraw/zinc/17/77/25/463177725.db2.gz ZEFYRSLZHUKFJG-UHFFFAOYSA-N 1 0 334.420 2.217 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000158131083 463208305 /nfs/dbraw/zinc/20/83/05/463208305.db2.gz HEXXOYJXOJDWON-UHFFFAOYSA-N 1 0 339.392 2.025 20 5 EEBDRO C[C@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995051 468346149 /nfs/dbraw/zinc/34/61/49/468346149.db2.gz CVTBWKJTZYPGOJ-QWHCGFSZSA-N 1 0 326.418 2.394 20 5 EEBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000069571250 463278906 /nfs/dbraw/zinc/27/89/06/463278906.db2.gz PMAGDCWNZWYJLF-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160387959 463333761 /nfs/dbraw/zinc/33/37/61/463333761.db2.gz LMIOJQUIABWGOO-LBPRGKRZSA-N 1 0 332.385 2.282 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000081553726 463457888 /nfs/dbraw/zinc/45/78/88/463457888.db2.gz QQIDIFDZFZOUME-QWRGUYRKSA-N 1 0 347.375 2.020 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488100 463491054 /nfs/dbraw/zinc/49/10/54/463491054.db2.gz LQICZFRUHCDLJU-UHFFFAOYSA-N 1 0 349.435 2.179 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163029183 463557662 /nfs/dbraw/zinc/55/76/62/463557662.db2.gz OBAPXLCYBUUNFU-UWVGGRQHSA-N 1 0 327.768 2.201 20 5 EEBDRO Cc1nn(C)c2ncc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cc12 ZINC000553445925 468366924 /nfs/dbraw/zinc/36/69/24/468366924.db2.gz IDUULNIQCOLOKM-UHFFFAOYSA-N 1 0 341.371 2.354 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000193877826 463753351 /nfs/dbraw/zinc/75/33/51/463753351.db2.gz ZXLROQMUWODHNU-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO CNC(=O)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000286993873 463766219 /nfs/dbraw/zinc/76/62/19/463766219.db2.gz PQQGJHQTBRQBOO-CYBMUJFWSA-N 1 0 325.340 2.444 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000171047389 463767937 /nfs/dbraw/zinc/76/79/37/463767937.db2.gz HVBYRCFNICTDAJ-LBPRGKRZSA-N 1 0 338.408 2.133 20 5 EEBDRO Cc1nnc([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268507741 463771760 /nfs/dbraw/zinc/77/17/60/463771760.db2.gz UDGGBULOTIZIRI-ZDUSSCGKSA-N 1 0 331.376 2.280 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000194452035 463865091 /nfs/dbraw/zinc/86/50/91/463865091.db2.gz HLDDWXYXTIEYMP-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO COCC1=CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000185896045 463900951 /nfs/dbraw/zinc/90/09/51/463900951.db2.gz WAQDDTKEBABJCK-UHFFFAOYSA-N 1 0 349.387 2.211 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000269209293 463910059 /nfs/dbraw/zinc/91/00/59/463910059.db2.gz OVVVGDPYYUCXJR-ZIAGYGMSSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269318658 463950814 /nfs/dbraw/zinc/95/08/14/463950814.db2.gz IDVINOBAWNXZFV-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000283662810 463965396 /nfs/dbraw/zinc/96/53/96/463965396.db2.gz DVXVNZBKDQENKL-NSHDSACASA-N 1 0 336.367 2.017 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000178821812 463983843 /nfs/dbraw/zinc/98/38/43/463983843.db2.gz HBEFOMQSEFYONN-ZDUSSCGKSA-N 1 0 346.431 2.394 20 5 EEBDRO CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178898309 464006339 /nfs/dbraw/zinc/00/63/39/464006339.db2.gz BKTRSFXXZVQVGV-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000178979928 464028962 /nfs/dbraw/zinc/02/89/62/464028962.db2.gz YBBHVCVKIZCWPK-WFASDCNBSA-N 1 0 341.433 2.089 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CC2CCOCC2)CC1 ZINC000172427541 464078783 /nfs/dbraw/zinc/07/87/83/464078783.db2.gz YELCHYXGKUVBKG-UHFFFAOYSA-N 1 0 349.431 2.018 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000172839898 464152402 /nfs/dbraw/zinc/15/24/02/464152402.db2.gz OBTADIPKRXILCJ-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(C)C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000179565529 464158155 /nfs/dbraw/zinc/15/81/55/464158155.db2.gz UXRCCFLFBQWFOL-JTQLQIEISA-N 1 0 349.478 2.448 20 5 EEBDRO CSC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313683 464194189 /nfs/dbraw/zinc/19/41/89/464194189.db2.gz DVKIJZUIHLUUMV-KGLIPLIRSA-N 1 0 340.445 2.410 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000179844880 464197558 /nfs/dbraw/zinc/19/75/58/464197558.db2.gz IZCIAFMVSFXSAJ-UHFFFAOYSA-N 1 0 343.330 2.362 20 5 EEBDRO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292367901 464210194 /nfs/dbraw/zinc/21/01/94/464210194.db2.gz DCAUQTJXLUIUDC-LBPRGKRZSA-N 1 0 325.384 2.324 20 5 EEBDRO CCCC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236768761 464224510 /nfs/dbraw/zinc/22/45/10/464224510.db2.gz UWVZNBZDSIBLRD-INIZCTEOSA-N 1 0 335.404 2.482 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000237638411 464355544 /nfs/dbraw/zinc/35/55/44/464355544.db2.gz NYPUAEXWBNIWFO-ZDUSSCGKSA-N 1 0 342.193 2.215 20 5 EEBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(O)CCOCC1 ZINC000188843523 464380688 /nfs/dbraw/zinc/38/06/88/464380688.db2.gz ACRVJZKVJBSXHB-UHFFFAOYSA-N 1 0 346.330 2.170 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264659488 464411287 /nfs/dbraw/zinc/41/12/87/464411287.db2.gz YJERUMVUENSRGX-CYBMUJFWSA-N 1 0 348.359 2.203 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000294264450 464448844 /nfs/dbraw/zinc/44/88/44/464448844.db2.gz DNWIXYOLUHJJOO-CQSZACIVSA-N 1 0 325.384 2.380 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+](C)C ZINC000294266874 464449668 /nfs/dbraw/zinc/44/96/68/464449668.db2.gz PTRLCVKKIQBVOE-NWDGAFQWSA-N 1 0 325.434 2.389 20 5 EEBDRO COC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225429 464526444 /nfs/dbraw/zinc/52/64/44/464526444.db2.gz SVHAMYOINBTEFD-SWLSCSKDSA-N 1 0 333.388 2.220 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272233827 464528975 /nfs/dbraw/zinc/52/89/75/464528975.db2.gz VCCFDQFFSQRFFM-GUYCJALGSA-N 1 0 346.431 2.263 20 5 EEBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285346950 464531905 /nfs/dbraw/zinc/53/19/05/464531905.db2.gz YYBJPNSUCANAOZ-LLVKDONJSA-N 1 0 349.416 2.021 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272258097 464539792 /nfs/dbraw/zinc/53/97/92/464539792.db2.gz AIFDWGUXKYNZSR-SJKOYZFVSA-N 1 0 344.415 2.335 20 5 EEBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CC(C)(C)O ZINC000189947300 464568210 /nfs/dbraw/zinc/56/82/10/464568210.db2.gz ITFKCOSZTHRQOC-LBPRGKRZSA-N 1 0 348.403 2.013 20 5 EEBDRO CN(C)C(=O)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000182223123 464603741 /nfs/dbraw/zinc/60/37/41/464603741.db2.gz AFUVLGXZINQSJU-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO C[C@H](CCCO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000294802383 464609181 /nfs/dbraw/zinc/60/91/81/464609181.db2.gz NABAOAJIMCLKAZ-CYBMUJFWSA-N 1 0 332.404 2.494 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-])o1 ZINC000294805092 464610361 /nfs/dbraw/zinc/61/03/61/464610361.db2.gz UQIFQZIZGITCIY-UHFFFAOYSA-N 1 0 325.409 2.314 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000294848596 464624331 /nfs/dbraw/zinc/62/43/31/464624331.db2.gz NEFMYJXIRIFPDG-ZDUSSCGKSA-N 1 0 332.404 2.431 20 5 EEBDRO COc1ccc([C@@H](CCO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395546 464644995 /nfs/dbraw/zinc/64/49/95/464644995.db2.gz HYQUVUOBRLDLEV-MSOLQXFVSA-N 1 0 346.383 2.350 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247337649 464669480 /nfs/dbraw/zinc/66/94/80/464669480.db2.gz JBIAAHJKHQWBST-NHYWBVRUSA-N 1 0 345.403 2.273 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182643028 464700483 /nfs/dbraw/zinc/70/04/83/464700483.db2.gz RFRQABWOUPOGFI-LBPRGKRZSA-N 1 0 345.403 2.131 20 5 EEBDRO CC(C)CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248471391 464756208 /nfs/dbraw/zinc/75/62/08/464756208.db2.gz VQJSBGGDEYSAQY-HUUCEWRRSA-N 1 0 338.404 2.081 20 5 EEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183015717 464777690 /nfs/dbraw/zinc/77/76/90/464777690.db2.gz DQXROKRLGZFLHB-MRXNPFEDSA-N 1 0 349.412 2.483 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000176519423 464793047 /nfs/dbraw/zinc/79/30/47/464793047.db2.gz KJSAFWIGNFFUJL-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276070152 464797662 /nfs/dbraw/zinc/79/76/62/464797662.db2.gz MIIUMQTZNYEGKJ-UHFFFAOYSA-N 1 0 329.422 2.141 20 5 EEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266744554 464806224 /nfs/dbraw/zinc/80/62/24/464806224.db2.gz OEHIWFUHNVJBHE-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO C[S@@](=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183197820 464820614 /nfs/dbraw/zinc/82/06/14/464820614.db2.gz FJHRYDUTBNJCHY-WOGXIUBCSA-N 1 0 348.424 2.338 20 5 EEBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286170214 464827554 /nfs/dbraw/zinc/82/75/54/464827554.db2.gz KDJQTSSDYOSWSP-PBWFPOADSA-N 1 0 332.404 2.090 20 5 EEBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183290389 464843225 /nfs/dbraw/zinc/84/32/25/464843225.db2.gz YZXGSKWAMJNOIB-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183357187 464854593 /nfs/dbraw/zinc/85/45/93/464854593.db2.gz YYZJUNFCTHAHHA-MRXNPFEDSA-N 1 0 347.346 2.049 20 5 EEBDRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000295488711 464855118 /nfs/dbraw/zinc/85/51/18/464855118.db2.gz GWPRGAVJYMKEFF-HNNXBMFYSA-N 1 0 337.376 2.136 20 5 EEBDRO C[NH+](C)CCc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000276335951 464893840 /nfs/dbraw/zinc/89/38/40/464893840.db2.gz RHPUZEHZLALGSZ-UHFFFAOYSA-N 1 0 342.399 2.410 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000192674672 464974709 /nfs/dbraw/zinc/97/47/09/464974709.db2.gz HRZPXKLBGROUTL-STQMWFEESA-N 1 0 339.440 2.421 20 5 EEBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337424512 465361778 /nfs/dbraw/zinc/36/17/78/465361778.db2.gz RIYDNWCMJVHYBI-WWGRRREGSA-N 1 0 335.404 2.405 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[NH+](C(C)C)C(C)C)n1 ZINC000342939719 465402927 /nfs/dbraw/zinc/40/29/27/465402927.db2.gz DVXWYOGIZOJJNF-UHFFFAOYSA-N 1 0 338.408 2.331 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000348163219 465460927 /nfs/dbraw/zinc/46/09/27/465460927.db2.gz NDVFQMMACGKKPI-UHFFFAOYSA-N 1 0 343.811 2.336 20 5 EEBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000298660474 465464066 /nfs/dbraw/zinc/46/40/66/465464066.db2.gz CCQHDOBWNJFHLY-QMMMGPOBSA-N 1 0 332.307 2.268 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000359810315 465492471 /nfs/dbraw/zinc/49/24/71/465492471.db2.gz OWZJBJXCKVDIRF-WFASDCNBSA-N 1 0 328.372 2.316 20 5 EEBDRO Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954152 465510424 /nfs/dbraw/zinc/51/04/24/465510424.db2.gz JTOHWOIPXOPIKH-STQMWFEESA-N 1 0 333.310 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344549757 465667107 /nfs/dbraw/zinc/66/71/07/465667107.db2.gz ORZGLHPLDPLLPK-LJQANCHMSA-N 1 0 341.411 2.321 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000348683241 465740104 /nfs/dbraw/zinc/74/01/04/465740104.db2.gz OFXLVAUPXAWQDI-MRXNPFEDSA-N 1 0 349.435 2.180 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081069 465752957 /nfs/dbraw/zinc/75/29/57/465752957.db2.gz PPFQKDLEPSJLLI-IRXDYDNUSA-N 1 0 346.431 2.291 20 5 EEBDRO Cc1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000361260654 465869736 /nfs/dbraw/zinc/86/97/36/465869736.db2.gz HSUULDMGTJICEK-GOSISDBHSA-N 1 0 342.399 2.347 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301173963 465915457 /nfs/dbraw/zinc/91/54/57/465915457.db2.gz FUTXTWCQHYEDKN-UHFFFAOYSA-N 1 0 331.376 2.022 20 5 EEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000346202940 465987562 /nfs/dbraw/zinc/98/75/62/465987562.db2.gz AUBACIYYBDMKTN-CQSZACIVSA-N 1 0 344.419 2.536 20 5 EEBDRO COc1cccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331229834 465989080 /nfs/dbraw/zinc/98/90/80/465989080.db2.gz POZFBPVVVUMCHB-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346249695 466027799 /nfs/dbraw/zinc/02/77/99/466027799.db2.gz XKRKEQOOVYECLO-KCQAQPDRSA-N 1 0 347.415 2.406 20 5 EEBDRO C[NH+](C)Cc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000301916835 466061728 /nfs/dbraw/zinc/06/17/28/466061728.db2.gz DTGIFSKDTXVTDL-UHFFFAOYSA-N 1 0 344.350 2.450 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000591444692 468470637 /nfs/dbraw/zinc/47/06/37/468470637.db2.gz FRAQKVGMOQLTPG-GHMZBOCLSA-N 1 0 333.417 2.425 20 5 EEBDRO O=C(c1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591439806 468470433 /nfs/dbraw/zinc/47/04/33/468470433.db2.gz YDQJCJAKNDTVGR-XJKSGUPXSA-N 1 0 344.415 2.019 20 5 EEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000349379615 466090542 /nfs/dbraw/zinc/09/05/42/466090542.db2.gz CGTHMHKHLROFTH-LRDDRELGSA-N 1 0 330.388 2.198 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](CCO)CC1)OCCO2 ZINC000591504125 468478484 /nfs/dbraw/zinc/47/84/84/468478484.db2.gz OLXXXVCWNWXEOV-ZDUSSCGKSA-N 1 0 336.388 2.351 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577834 468486289 /nfs/dbraw/zinc/48/62/89/468486289.db2.gz IPCJMPINUKIFPC-HOCLYGCPSA-N 1 0 329.404 2.149 20 5 EEBDRO C[C@@H](O)[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000305183990 466372362 /nfs/dbraw/zinc/37/23/62/466372362.db2.gz OSRZVICJYDFNJX-YPMHNXCESA-N 1 0 332.360 2.238 20 5 EEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597241416 468492992 /nfs/dbraw/zinc/49/29/92/468492992.db2.gz DBCXFRUSJDVRHV-MQMHXKEQSA-N 1 0 344.371 2.037 20 5 EEBDRO COC(=O)c1cnc(NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000358123272 466474941 /nfs/dbraw/zinc/47/49/41/466474941.db2.gz JOSUJQYLYCJSPI-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347250443 466509191 /nfs/dbraw/zinc/50/91/91/466509191.db2.gz NWJDTAADTTYYAA-TZMCWYRMSA-N 1 0 328.372 2.488 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1nccc(C)c1[N+](=O)[O-] ZINC000341026193 466522353 /nfs/dbraw/zinc/52/23/53/466522353.db2.gz CRUKJZURZYEFSK-UHFFFAOYSA-N 1 0 335.452 2.152 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368021463 466567490 /nfs/dbraw/zinc/56/74/90/466567490.db2.gz RJAAUZLUKSFAPS-DZGCQCFKSA-N 1 0 332.404 2.454 20 5 EEBDRO Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000363763809 466601902 /nfs/dbraw/zinc/60/19/02/466601902.db2.gz HMXHXJYKTFGRSU-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000347401549 466613559 /nfs/dbraw/zinc/61/35/59/466613559.db2.gz CWDSCMOYNASLPZ-JTQLQIEISA-N 1 0 343.225 2.449 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368380397 466616399 /nfs/dbraw/zinc/61/63/99/466616399.db2.gz WFHJKOFCHPDOAR-SMDDNHRTSA-N 1 0 335.429 2.334 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354561701 466642234 /nfs/dbraw/zinc/64/22/34/466642234.db2.gz NUASJWAAWADEMC-SECBINFHSA-N 1 0 335.451 2.202 20 5 EEBDRO Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000324010670 466642582 /nfs/dbraw/zinc/64/25/82/466642582.db2.gz LDZXVZVGAHHNRK-UHFFFAOYSA-N 1 0 327.388 2.284 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000324161647 466643908 /nfs/dbraw/zinc/64/39/08/466643908.db2.gz BDYJQOQVNDHXIG-UHFFFAOYSA-N 1 0 327.384 2.465 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cccn1C1CC[NH2+]CC1 ZINC000324652317 466648871 /nfs/dbraw/zinc/64/88/71/466648871.db2.gz CLROJMBASOQKGC-UHFFFAOYSA-N 1 0 328.372 2.251 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CC[N@H+](C)C2CC2)c1F ZINC000408523650 466678209 /nfs/dbraw/zinc/67/82/09/466678209.db2.gz UKXFCSOOMWAYGE-UHFFFAOYSA-N 1 0 327.331 2.348 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415448450 466682969 /nfs/dbraw/zinc/68/29/69/466682969.db2.gz UYKNAPRFEFTPFB-UHTWSYAYSA-N 1 0 334.376 2.195 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374618606 466694117 /nfs/dbraw/zinc/69/41/17/466694117.db2.gz HSYHZQWVYCCPFK-OAHLLOKOSA-N 1 0 341.367 2.177 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423563862 466774801 /nfs/dbraw/zinc/77/48/01/466774801.db2.gz XKNROWATCBKSLD-MWLCHTKSSA-N 1 0 343.836 2.455 20 5 EEBDRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411226982 466788050 /nfs/dbraw/zinc/78/80/50/466788050.db2.gz OIYMRTDUEJJLEO-QGZVFWFLSA-N 1 0 346.431 2.484 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000417171219 466794846 /nfs/dbraw/zinc/79/48/46/466794846.db2.gz DMHUUMDMAISHAW-SMDDNHRTSA-N 1 0 336.392 2.015 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC000423648189 466795671 /nfs/dbraw/zinc/79/56/71/466795671.db2.gz ZKROFVXMPPNNPO-AWEZNQCLSA-N 1 0 347.415 2.374 20 5 EEBDRO COCC1(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423659563 466797768 /nfs/dbraw/zinc/79/77/68/466797768.db2.gz ZPMFVHRAOROMFA-UHFFFAOYSA-N 1 0 349.431 2.464 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820092 466855241 /nfs/dbraw/zinc/85/52/41/466855241.db2.gz BNQLHKDWVRKCQE-CABCVRRESA-N 1 0 332.404 2.172 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423941691 466921435 /nfs/dbraw/zinc/92/14/35/466921435.db2.gz PBXJKPHOANDMNQ-HNNXBMFYSA-N 1 0 346.431 2.442 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000373821136 466932178 /nfs/dbraw/zinc/93/21/78/466932178.db2.gz APILJCUBLOSYNW-AWEZNQCLSA-N 1 0 330.344 2.369 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423973996 466933863 /nfs/dbraw/zinc/93/38/63/466933863.db2.gz RKFRQBCWCZOOSG-HNNXBMFYSA-N 1 0 345.403 2.086 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000424045236 466962701 /nfs/dbraw/zinc/96/27/01/466962701.db2.gz HNFPZIFZIZGMQV-UHFFFAOYSA-N 1 0 337.423 2.398 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000412097318 467008107 /nfs/dbraw/zinc/00/81/07/467008107.db2.gz OLDLKPIEIPSJQV-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO CN1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000413105207 467170413 /nfs/dbraw/zinc/17/04/13/467170413.db2.gz NDWUMYCZDZAGNS-UHFFFAOYSA-N 1 0 337.399 2.099 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000432994631 467282664 /nfs/dbraw/zinc/28/26/64/467282664.db2.gz ALMLKRZMAFJGKW-REWJHTLYSA-N 1 0 336.392 2.206 20 5 EEBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000413726135 467299728 /nfs/dbraw/zinc/29/97/28/467299728.db2.gz RTRUSAHKISYTPZ-AFAVFJNCSA-N 1 0 329.400 2.465 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420219987 467323149 /nfs/dbraw/zinc/32/31/49/467323149.db2.gz SRQKHLZTHFRNNA-DOOHLRMFSA-N 1 0 343.387 2.963 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](CCCO)C3)n2)c1 ZINC000452127665 467333425 /nfs/dbraw/zinc/33/34/25/467333425.db2.gz LHUTXCJQJDJXKZ-GFCCVEGCSA-N 1 0 332.360 2.239 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420363810 467378348 /nfs/dbraw/zinc/37/83/48/467378348.db2.gz JUYWJEHHCJCJGT-ZETOZRRWSA-N 1 0 331.376 2.121 20 5 EEBDRO Cc1c(NC(=O)CCN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000420381197 467386770 /nfs/dbraw/zinc/38/67/70/467386770.db2.gz ZAEHVLAUVVTJBI-CJBNDPTMSA-N 1 0 334.420 2.208 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000420401777 467395791 /nfs/dbraw/zinc/39/57/91/467395791.db2.gz JKZQBJCDVBOCAS-AAEUAGOBSA-N 1 0 331.376 2.062 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389757983 467401706 /nfs/dbraw/zinc/40/17/06/467401706.db2.gz SNWFYSHJXWGZIM-PELKAZGASA-N 1 0 342.193 2.085 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000414342333 467405644 /nfs/dbraw/zinc/40/56/44/467405644.db2.gz PDQYQOZIIAEJLQ-LBPRGKRZSA-N 1 0 344.433 2.469 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420584044 467428736 /nfs/dbraw/zinc/42/87/36/467428736.db2.gz KGEXPHFEBCWRSV-BETUJISGSA-N 1 0 334.420 2.474 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430550226 467438675 /nfs/dbraw/zinc/43/86/75/467438675.db2.gz KBHFULWIUCZUKU-YGRLFVJLSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652566 467455744 /nfs/dbraw/zinc/45/57/44/467455744.db2.gz NKUZTQYNPHHCPA-JSGCOSHPSA-N 1 0 348.403 2.095 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]Cc2ccccc21 ZINC000430926357 467476821 /nfs/dbraw/zinc/47/68/21/467476821.db2.gz OBCZXGJMVLSJCI-UHFFFAOYSA-N 1 0 340.383 2.452 20 5 EEBDRO CC[N@H+](CCOc1ccccc1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000420971140 467522867 /nfs/dbraw/zinc/52/28/67/467522867.db2.gz HMLOQMZTTXRPLX-UHFFFAOYSA-N 1 0 345.399 2.466 20 5 EEBDRO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441542856 467573014 /nfs/dbraw/zinc/57/30/14/467573014.db2.gz HGVFPNLYZYFUSE-QGZVFWFLSA-N 1 0 332.404 2.310 20 5 EEBDRO CNc1nc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454718818 467611612 /nfs/dbraw/zinc/61/16/12/467611612.db2.gz IPNDEZVRNNEEOG-OAHLLOKOSA-N 1 0 349.435 2.272 20 5 EEBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449152518 467620910 /nfs/dbraw/zinc/62/09/10/467620910.db2.gz GEFOASCEPLEWMG-KRWDZBQOSA-N 1 0 325.368 2.488 20 5 EEBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)NC ZINC000449775118 467712860 /nfs/dbraw/zinc/71/28/60/467712860.db2.gz MWGZTVBLNOROGQ-AWEZNQCLSA-N 1 0 347.371 2.478 20 5 EEBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000450474930 467856067 /nfs/dbraw/zinc/85/60/67/467856067.db2.gz UDGPNYSCWTXMPT-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494265642 468040951 /nfs/dbraw/zinc/04/09/51/468040951.db2.gz QSQYTHSKWQUKRD-XPTSAGLGSA-N 1 0 327.768 2.344 20 5 EEBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cn1cccn1 ZINC000567677881 468181488 /nfs/dbraw/zinc/18/14/88/468181488.db2.gz CWNADWFRGDTRID-ZDUSSCGKSA-N 1 0 331.376 2.046 20 5 EEBDRO CC1=CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000567710403 468192152 /nfs/dbraw/zinc/19/21/52/468192152.db2.gz KPTPGBIAJAMLRR-UHFFFAOYSA-N 1 0 332.404 2.165 20 5 EEBDRO O=C(NC1CC1)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000549852962 468199276 /nfs/dbraw/zinc/19/92/76/468199276.db2.gz JFXUSCUDDAAINK-LBPRGKRZSA-N 1 0 344.415 2.383 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000591744668 468513119 /nfs/dbraw/zinc/51/31/19/468513119.db2.gz VAUHDVACWYUJLV-QGZVFWFLSA-N 1 0 330.384 2.305 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000591749384 468514417 /nfs/dbraw/zinc/51/44/17/468514417.db2.gz OEXYECDPPCSLRY-CJNGLKHVSA-N 1 0 331.372 2.123 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000556959371 468602394 /nfs/dbraw/zinc/60/23/94/468602394.db2.gz UXKUGYYYFLAFEF-AHIWAGSCSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000556959372 468602881 /nfs/dbraw/zinc/60/28/81/468602881.db2.gz UXKUGYYYFLAFEF-OGHNNQOOSA-N 1 0 335.404 2.453 20 5 EEBDRO CNc1c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597710849 468646784 /nfs/dbraw/zinc/64/67/84/468646784.db2.gz PGSUBJBUMZJTMJ-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592247838 468664827 /nfs/dbraw/zinc/66/48/27/468664827.db2.gz VBOSWSUPCQPRBY-MRXNPFEDSA-N 1 0 334.420 2.243 20 5 EEBDRO CC[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592332520 468678885 /nfs/dbraw/zinc/67/88/85/468678885.db2.gz ZOZUCEXRUJRVDH-BBRMVZONSA-N 1 0 334.420 2.373 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000592446730 468700578 /nfs/dbraw/zinc/70/05/78/468700578.db2.gz RSDIHMVHNWSSTI-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO COc1cc(CN2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000592473614 468705179 /nfs/dbraw/zinc/70/51/79/468705179.db2.gz GOGKZKUFQAVAPG-UHFFFAOYSA-N 1 0 345.346 2.389 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594957134 468731557 /nfs/dbraw/zinc/73/15/57/468731557.db2.gz NXKGBEBHGYKFAN-ZDUSSCGKSA-N 1 0 335.404 2.328 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000595010033 468743142 /nfs/dbraw/zinc/74/31/42/468743142.db2.gz FNFHVXOLXHOUGI-CYBMUJFWSA-N 1 0 337.420 2.365 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000595102737 468759393 /nfs/dbraw/zinc/75/93/93/468759393.db2.gz LNYXJLKEYHSHMY-PBHICJAKSA-N 1 0 331.416 2.425 20 5 EEBDRO COc1ccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261043 468809921 /nfs/dbraw/zinc/80/99/21/468809921.db2.gz CYSNDNFBZOSDGU-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000571626842 468813673 /nfs/dbraw/zinc/81/36/73/468813673.db2.gz MFHRZIVAGGUIDZ-CLWVCHIJSA-N 1 0 333.436 2.490 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593033570 468846551 /nfs/dbraw/zinc/84/65/51/468846551.db2.gz VXEQKNUDGOBXOD-UHFFFAOYSA-N 1 0 337.395 2.060 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595490303 468874242 /nfs/dbraw/zinc/87/42/42/468874242.db2.gz PGTBQVALGKGPGC-IMJJTQAJSA-N 1 0 335.379 2.471 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000593189343 468899203 /nfs/dbraw/zinc/89/92/03/468899203.db2.gz MCFQNRFSYHHKDQ-RAIGVLPGSA-N 1 0 335.404 2.465 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558079 468911786 /nfs/dbraw/zinc/91/17/86/468911786.db2.gz CFXYBNNRXBCMNA-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000601551290 468915161 /nfs/dbraw/zinc/91/51/61/468915161.db2.gz GNSMQZIZQIVRON-ZDUSSCGKSA-N 1 0 341.367 2.138 20 5 EEBDRO O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1 ZINC000602639404 468983166 /nfs/dbraw/zinc/98/31/66/468983166.db2.gz ICIDUOMCBGSSFL-LLVKDONJSA-N 1 0 331.294 2.372 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000610514560 468991597 /nfs/dbraw/zinc/99/15/97/468991597.db2.gz WRLDEXNEXCVTNG-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602657440 468993625 /nfs/dbraw/zinc/99/36/25/468993625.db2.gz XIQBQSBKTKXZOM-ZIAGYGMSSA-N 1 0 334.420 2.221 20 5 EEBDRO C[C@@H](COCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602712403 469027424 /nfs/dbraw/zinc/02/74/24/469027424.db2.gz NWDXXTXYKLLZQM-ZDUSSCGKSA-N 1 0 334.420 2.363 20 5 EEBDRO O=C(CC[NH2+]C1CCN(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000572992352 469037277 /nfs/dbraw/zinc/03/72/77/469037277.db2.gz GWDXKSYCHQGTBQ-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC000595881739 469061482 /nfs/dbraw/zinc/06/14/82/469061482.db2.gz VNICZRBQBGGQEG-DOTOQJQBSA-N 1 0 336.436 2.445 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c1 ZINC000595881740 469061577 /nfs/dbraw/zinc/06/15/77/469061577.db2.gz VNICZRBQBGGQEG-NVXWUHKLSA-N 1 0 336.436 2.445 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000593664058 469082753 /nfs/dbraw/zinc/08/27/53/469082753.db2.gz DYXXWYFGQBCZSY-UHFFFAOYSA-N 1 0 335.379 2.267 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000595940584 469093393 /nfs/dbraw/zinc/09/33/93/469093393.db2.gz HIGXLTMHPHDWMJ-UHFFFAOYSA-N 1 0 342.193 2.359 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000602841792 469110483 /nfs/dbraw/zinc/11/04/83/469110483.db2.gz SEOGTOGFTUYOBX-MEBBXXQBSA-N 1 0 336.417 2.453 20 5 EEBDRO Cc1nn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000601957035 469112201 /nfs/dbraw/zinc/11/22/01/469112201.db2.gz SVSQACBCAHOFCZ-KRWDZBQOSA-N 1 0 330.388 2.045 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc12 ZINC000563008359 469133492 /nfs/dbraw/zinc/13/34/92/469133492.db2.gz WLLVVUZUAONYME-INIZCTEOSA-N 1 0 340.383 2.404 20 5 EEBDRO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])s1 ZINC000596110811 469158466 /nfs/dbraw/zinc/15/84/66/469158466.db2.gz TWFCIOOLVAPWQV-CYBMUJFWSA-N 1 0 340.449 2.319 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000602954760 469188506 /nfs/dbraw/zinc/18/85/06/469188506.db2.gz FETYKDGZPPJSKJ-UHFFFAOYSA-N 1 0 347.419 2.202 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CCC[C@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000589051786 469189892 /nfs/dbraw/zinc/18/98/92/469189892.db2.gz GLIWGMKZQOFUSZ-BBRMVZONSA-N 1 0 343.383 2.349 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000615293364 469210954 /nfs/dbraw/zinc/21/09/54/469210954.db2.gz ZNPKCCUGYUSOSS-GHMZBOCLSA-N 1 0 347.824 2.009 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000596249847 469221967 /nfs/dbraw/zinc/22/19/67/469221967.db2.gz AVCBMWXPZRSPEQ-UHFFFAOYSA-N 1 0 344.415 2.472 20 5 EEBDRO CS[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000611713192 469307890 /nfs/dbraw/zinc/30/78/90/469307890.db2.gz ZURIOVIDWAKYPM-KGLIPLIRSA-N 1 0 333.417 2.020 20 5 EEBDRO O=[N+]([O-])c1sc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000602493806 469340037 /nfs/dbraw/zinc/34/00/37/469340037.db2.gz LVDSNOGEEHKSPY-HTQZYQBOSA-N 1 0 332.223 2.070 20 5 EEBDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939750 469348102 /nfs/dbraw/zinc/34/81/02/469348102.db2.gz NORAGUHWHUCOKT-HIFRSBDPSA-N 1 0 331.372 2.389 20 5 EEBDRO CC1(C)CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000616063287 469360341 /nfs/dbraw/zinc/36/03/41/469360341.db2.gz GHSSNBQQGNZVHV-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(c1ccccc1)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000603833451 469434418 /nfs/dbraw/zinc/43/44/18/469434418.db2.gz NJRXUPNALZQJMN-HZPDHXFCSA-N 1 0 337.379 2.481 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000618935276 469475836 /nfs/dbraw/zinc/47/58/36/469475836.db2.gz CMUDMSKZCDVEKJ-TZMCWYRMSA-N 1 0 343.387 2.101 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC000619511668 469630133 /nfs/dbraw/zinc/63/01/33/469630133.db2.gz KMMWMZMOUGUUOZ-HNNXBMFYSA-N 1 0 335.404 2.295 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000619584067 469645240 /nfs/dbraw/zinc/64/52/40/469645240.db2.gz VSPGOAQCXXFIPF-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])c1 ZINC000608866671 469883358 /nfs/dbraw/zinc/88/33/58/469883358.db2.gz PAEIVIFCLIOUKU-UHFFFAOYSA-N 1 0 341.367 2.000 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609382851 469923208 /nfs/dbraw/zinc/92/32/08/469923208.db2.gz FKCSHIMQBNAZHJ-ZDUSSCGKSA-N 1 0 328.372 2.290 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@H]21 ZINC000627654735 469967452 /nfs/dbraw/zinc/96/74/52/469967452.db2.gz MPPPYASRUTVOSA-MNZLEMJZSA-N 1 0 347.418 2.313 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209674 469988140 /nfs/dbraw/zinc/98/81/40/469988140.db2.gz WNXASGLVSAMPCX-SMDDNHRTSA-N 1 0 332.404 2.382 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602538253 485641370 /nfs/dbraw/zinc/64/13/70/485641370.db2.gz BPNKWGFNJKFARD-ZYHUDNBSSA-N 1 0 331.294 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(CO)c3)CC2)cn1 ZINC000602539122 485641771 /nfs/dbraw/zinc/64/17/71/485641771.db2.gz DCEGIMFPKZYPCY-UHFFFAOYSA-N 1 0 342.399 2.241 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000191928314 534345133 /nfs/dbraw/zinc/34/51/33/534345133.db2.gz VVIORTJEYMXXCL-UHFFFAOYSA-N 1 0 349.412 2.053 20 5 EEBDRO Cc1nc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132971092 534486654 /nfs/dbraw/zinc/48/66/54/534486654.db2.gz NEGCHUROCYFOLP-CVEARBPZSA-N 1 0 334.420 2.478 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418795556 534772543 /nfs/dbraw/zinc/77/25/43/534772543.db2.gz QKMNZALFPMWREC-OFQRWUPVSA-N 1 0 344.415 2.051 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181931523 528748184 /nfs/dbraw/zinc/74/81/84/528748184.db2.gz QRQTWBDOWBYIEV-BBRMVZONSA-N 1 0 340.445 2.408 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181136996 529023944 /nfs/dbraw/zinc/02/39/44/529023944.db2.gz BNXDXWGNOSPDSL-GFCCVEGCSA-N 1 0 349.387 2.174 20 5 EEBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000459478475 535869621 /nfs/dbraw/zinc/86/96/21/535869621.db2.gz ISIRFNQNYIIHCY-UHFFFAOYSA-N 1 0 349.416 2.069 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000425054933 536487745 /nfs/dbraw/zinc/48/77/45/536487745.db2.gz GDEBYTBBEPCWCJ-WMLDXEAASA-N 1 0 342.399 2.102 20 5 EEBDRO CC(C)[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726584161 576277676 /nfs/dbraw/zinc/27/76/76/576277676.db2.gz ACVCTUSWYGBHKZ-UHFFFAOYSA-N 1 0 332.360 2.194 20 5 EEBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C ZINC000726972017 576363225 /nfs/dbraw/zinc/36/32/25/576363225.db2.gz RHZCQMHMOZRYFH-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cn1nccc1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279117 577456632 /nfs/dbraw/zinc/45/66/32/577456632.db2.gz XHSMUGWAECVNDF-WMLDXEAASA-N 1 0 330.388 2.241 20 5 EEBDRO CC1(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000776590058 577463520 /nfs/dbraw/zinc/46/35/20/577463520.db2.gz ASTSGDZPRNZIIK-INIZCTEOSA-N 1 0 336.388 2.103 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccco1 ZINC000766180830 577514338 /nfs/dbraw/zinc/51/43/38/577514338.db2.gz ANNOGTBBANUVEY-SJCJKPOMSA-N 1 0 347.371 2.402 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000766378520 577518196 /nfs/dbraw/zinc/51/81/96/577518196.db2.gz XJKPWFBHYRHNQI-HUUCEWRRSA-N 1 0 329.404 2.344 20 5 EEBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)cc1[N+](=O)[O-] ZINC000768317218 577553630 /nfs/dbraw/zinc/55/36/30/577553630.db2.gz IMSQINPEAJRVMN-UHFFFAOYSA-N 1 0 349.431 2.039 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000762816407 577708505 /nfs/dbraw/zinc/70/85/05/577708505.db2.gz ZORYKWLYTNOCQN-NSHDSACASA-N 1 0 349.416 2.202 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000754704118 577811145 /nfs/dbraw/zinc/81/11/45/577811145.db2.gz LGIOSHYQAKTZPH-CMPLNLGQSA-N 1 0 347.400 2.113 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695102 577980187 /nfs/dbraw/zinc/98/01/87/577980187.db2.gz ZYCGVDAIPSNOBR-SFHVURJKSA-N 1 0 329.400 2.350 20 5 EEBDRO Cc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020530121 675021133 /nfs/dbraw/zinc/02/11/33/675021133.db2.gz JUCGVSFSQCFHJV-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063553 676629007 /nfs/dbraw/zinc/62/90/07/676629007.db2.gz DHKVUZOVWRQKLB-XJFOESAGSA-N 1 0 339.342 2.026 20 5 EEBDRO CC1(C)CC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000891608687 676720397 /nfs/dbraw/zinc/72/03/97/676720397.db2.gz XGRFGHLFRZAZMG-AWEZNQCLSA-N 1 0 334.420 2.215 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001022594899 677969683 /nfs/dbraw/zinc/96/96/83/677969683.db2.gz JPXSSUWXPHFBPO-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000892756228 682999454 /nfs/dbraw/zinc/99/94/54/682999454.db2.gz XCVSEIMZQCOEKU-JTQLQIEISA-N 1 0 349.309 2.035 20 5 EEBDRO C[C@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000892875650 683159015 /nfs/dbraw/zinc/15/90/15/683159015.db2.gz HPPZRFNXINAJIO-RYUDHWBXSA-N 1 0 342.399 2.484 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)n1 ZINC000893012011 683553234 /nfs/dbraw/zinc/55/32/34/683553234.db2.gz FPEBFHVRFLKCII-CHWSQXEVSA-N 1 0 337.424 2.146 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC001059250107 683657058 /nfs/dbraw/zinc/65/70/58/683657058.db2.gz BVOVWCLGPNMIQX-SHTZXODSSA-N 1 0 346.431 2.304 20 5 EEBDRO CC(C)(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000429227660 683991121 /nfs/dbraw/zinc/99/11/21/683991121.db2.gz PXGLVLIZZFLEDY-OAHLLOKOSA-N 1 0 347.415 2.199 20 5 EEBDRO C[C@H](C(=O)OCCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893386443 685165659 /nfs/dbraw/zinc/16/56/59/685165659.db2.gz UDUCXTXJENDNCM-KGLIPLIRSA-N 1 0 336.388 2.352 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424021969 694480104 /nfs/dbraw/zinc/48/01/04/694480104.db2.gz BYHQAZVYQOZYNY-QGZVFWFLSA-N 1 0 332.404 2.141 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000905291624 694588420 /nfs/dbraw/zinc/58/84/20/694588420.db2.gz OHAURTRSJHUGGG-UHFFFAOYSA-N 1 0 342.237 2.280 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000872036688 1198032326 /nfs/dbraw/zinc/03/23/26/1198032326.db2.gz VFQSJPQCHZKGKE-TZMCWYRMSA-N 1 0 338.477 2.213 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874192909 1198818922 /nfs/dbraw/zinc/81/89/22/1198818922.db2.gz AOIWBFXOVWQFTR-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ocnc1C(F)F ZINC001133925741 1199175813 /nfs/dbraw/zinc/17/58/13/1199175813.db2.gz SQHJVHVXPPTIRV-UHFFFAOYSA-N 1 0 340.286 2.040 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001134387537 1199538816 /nfs/dbraw/zinc/53/88/16/1199538816.db2.gz NVEXSVORQKAZRR-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000877028553 1199848902 /nfs/dbraw/zinc/84/89/02/1199848902.db2.gz ZPJYJIIUXWBFGK-GFCCVEGCSA-N 1 0 348.325 2.126 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000869735685 1200244805 /nfs/dbraw/zinc/24/48/05/1200244805.db2.gz XIWYWKRYEOUGII-FRRDWIJNSA-N 1 0 345.321 2.090 20 5 EEBDRO O=C(Cc1c(F)cccc1F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133054151 1200362771 /nfs/dbraw/zinc/36/27/71/1200362771.db2.gz DGRMMODLSAUVDG-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880296916 1201449897 /nfs/dbraw/zinc/44/98/97/1201449897.db2.gz GRXYHPOFBZDCSF-NSHDSACASA-N 1 0 325.340 2.223 20 5 EEBDRO O=[N+]([O-])c1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)cc1F ZINC000881212834 1201658381 /nfs/dbraw/zinc/65/83/81/1201658381.db2.gz JOBILMLTYJDFAT-UHFFFAOYSA-N 1 0 333.367 2.402 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000886243223 1202484014 /nfs/dbraw/zinc/48/40/14/1202484014.db2.gz RQOVNFABUIADHD-LYILDCAHSA-N 1 0 334.397 2.297 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930369125 1206552879 /nfs/dbraw/zinc/55/28/79/1206552879.db2.gz YMZXLCVBZKCRMZ-VUCTXSBTSA-N 1 0 329.400 2.299 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000931048879 1206602862 /nfs/dbraw/zinc/60/28/62/1206602862.db2.gz LTMBXOSFSBUBFA-BXUZGUMPSA-N 1 0 331.376 2.169 20 5 EEBDRO CC[C@H](C)[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000931760106 1207457071 /nfs/dbraw/zinc/45/70/71/1207457071.db2.gz ACVUDALODXLIKZ-UFBFGSQYSA-N 1 0 344.209 2.347 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000932375117 1207593433 /nfs/dbraw/zinc/59/34/33/1207593433.db2.gz JSNDPTBZOQDKKW-YJBOKZPZSA-N 1 0 343.383 2.470 20 5 EEBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000778255992 1207992885 /nfs/dbraw/zinc/99/28/85/1207992885.db2.gz BOTSSERHOWGBLD-JTQLQIEISA-N 1 0 327.331 2.286 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778283083 1208054950 /nfs/dbraw/zinc/05/49/50/1208054950.db2.gz CKSOPBLICOQKSM-NSHDSACASA-N 1 0 349.416 2.204 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195177127 1211333749 /nfs/dbraw/zinc/33/37/49/1211333749.db2.gz HCYBAZXZWOLVSR-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO Cc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020055347 1229462915 /nfs/dbraw/zinc/46/29/15/1229462915.db2.gz MWMAOUKYJGXHAS-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119994836 1229646707 /nfs/dbraw/zinc/64/67/07/1229646707.db2.gz MSAUDEWTQBZDRL-KGLIPLIRSA-N 1 0 348.447 2.456 20 5 EEBDRO C[NH+](C)CCC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096070896 1234417863 /nfs/dbraw/zinc/41/78/63/1234417863.db2.gz RUALAFSEQNPBIN-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097244824 1243871809 /nfs/dbraw/zinc/87/18/09/1243871809.db2.gz RCVJIVHKVCLCNJ-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO CCCN(CCNC(=O)C[N@H+](C)CCC)c1ccccc1[N+](=O)[O-] ZINC001101163617 1245470926 /nfs/dbraw/zinc/47/09/26/1245470926.db2.gz ZRWOSUPVGDWUOS-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1scnc1C1CC1 ZINC001134996316 1278109662 /nfs/dbraw/zinc/10/96/62/1278109662.db2.gz WRPPYEJBMXFEPW-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000850590910 1277273283 /nfs/dbraw/zinc/27/32/83/1277273283.db2.gz YSTQLOMUYAODOA-UHFFFAOYSA-N 1 0 347.824 2.106 20 5 EEBDRO COc1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1C ZINC000853460269 1292390264 /nfs/dbraw/zinc/39/02/64/1292390264.db2.gz FAOIAWPWUFKXDT-HIFRSBDPSA-N 1 0 325.434 2.394 20 5 EEBDRO CC(C)OC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886729056 1296689994 /nfs/dbraw/zinc/68/99/94/1296689994.db2.gz ZDFJXMCMJRZIDT-MRXNPFEDSA-N 1 0 336.388 2.292 20 5 EEBDRO O=[N+]([O-])c1ccc(F)c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001215673194 1296967907 /nfs/dbraw/zinc/96/79/07/1296967907.db2.gz MIUPLHMQCZBWLD-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc3c2CC[NH2+]C3)n1 ZINC001217563369 1297462004 /nfs/dbraw/zinc/46/20/04/1297462004.db2.gz TYZWSCVEIXQWRX-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Oc1c(OC)cc(C(=O)OC)cc1[N+](=O)[O-] ZINC001226360948 1301376763 /nfs/dbraw/zinc/37/67/63/1301376763.db2.gz GTDZDWQUWPFJSU-NSHDSACASA-N 1 0 340.376 2.499 20 5 EEBDRO COC(=O)N1CCC(c2cc(O[C@@H](C)C[N+](C)(C)C)no2)CC1 ZINC001228967061 1302548513 /nfs/dbraw/zinc/54/85/13/1302548513.db2.gz RCKCPLNIEYXJFG-LBPRGKRZSA-N 1 0 326.417 2.094 20 5 EEBDRO CC[C@@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001230506412 1303234331 /nfs/dbraw/zinc/23/43/31/1303234331.db2.gz SFALOYANEMMMNK-BMFZPTHFSA-N 1 0 332.404 2.391 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000799024968 1305137037 /nfs/dbraw/zinc/13/70/37/1305137037.db2.gz FWLPIBPXELPHJD-UHFFFAOYSA-N 1 0 339.367 2.057 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190970 1305180779 /nfs/dbraw/zinc/18/07/79/1305180779.db2.gz VXOZUBXADAJTFH-GJZGRUSLSA-N 1 0 343.383 2.219 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccco3)c2)CC1 ZINC001121160857 1309938048 /nfs/dbraw/zinc/93/80/48/1309938048.db2.gz RPCBNBSCASOIQH-UHFFFAOYSA-N 1 0 330.344 2.192 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]([NH3+])C[C@H](F)C2)c1F ZINC001246576157 1310347342 /nfs/dbraw/zinc/34/73/42/1310347342.db2.gz FHTBVYXPSGFMKL-DCAQKATOSA-N 1 0 329.347 2.045 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2nccc2C[NH3+])n1 ZINC001162586184 1320905224 /nfs/dbraw/zinc/90/52/24/1320905224.db2.gz SBJYMPLFOXTMEN-UHFFFAOYSA-N 1 0 328.785 2.185 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccc(F)n3)CC2)cc1 ZINC000831478153 1314593677 /nfs/dbraw/zinc/59/36/77/1314593677.db2.gz YTTLXJYYWIGOFK-UHFFFAOYSA-N 1 0 330.363 2.494 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836369085 1314991300 /nfs/dbraw/zinc/99/13/00/1314991300.db2.gz DPQBKDOSEMWWRW-UHFFFAOYSA-N 1 0 343.811 2.255 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841858814 1315625421 /nfs/dbraw/zinc/62/54/21/1315625421.db2.gz VEUZTQYBNJNRAI-YGRLFVJLSA-N 1 0 338.795 2.142 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000842737021 1315764702 /nfs/dbraw/zinc/76/47/02/1315764702.db2.gz GILPSHVSKAQOCN-UHFFFAOYSA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842869756 1315788064 /nfs/dbraw/zinc/78/80/64/1315788064.db2.gz QMRFGRCLHYFWPK-VIFPVBQESA-N 1 0 335.813 2.044 20 5 EEBDRO CCOC(=O)c1cc(-c2nc(C3CC[NH2+]CC3)no2)cc([N+](=O)[O-])c1 ZINC000843136456 1315852863 /nfs/dbraw/zinc/85/28/63/1315852863.db2.gz FNKQMHCWAPJPBX-UHFFFAOYSA-N 1 0 346.343 2.289 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843347583 1315895882 /nfs/dbraw/zinc/89/58/82/1315895882.db2.gz WBAYKOXTKYLGJI-NSHDSACASA-N 1 0 340.811 2.118 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000843361069 1315900812 /nfs/dbraw/zinc/90/08/12/1315900812.db2.gz SUZFIUUHTHZEJF-AGUYFDCRSA-N 1 0 343.387 2.489 20 5 EEBDRO C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000843455540 1315918720 /nfs/dbraw/zinc/91/87/20/1315918720.db2.gz QQAUZRWNPFTQKM-IUCAKERBSA-N 1 0 329.759 2.139 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000843505753 1315925417 /nfs/dbraw/zinc/92/54/17/1315925417.db2.gz LSDXAHDNZAQYOW-UHFFFAOYSA-N 1 0 334.420 2.444 20 5 EEBDRO O=C(Cc1ccc(F)cc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149610331 1315998359 /nfs/dbraw/zinc/99/83/59/1315998359.db2.gz OBIMWTDGCCCFMX-UHFFFAOYSA-N 1 0 331.347 2.182 20 5 EEBDRO O=C(COc1ccccc1F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150950393 1316417068 /nfs/dbraw/zinc/41/70/68/1316417068.db2.gz OPDLETWAVAVGHX-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2n(c1)CCCC2 ZINC001153924239 1316917014 /nfs/dbraw/zinc/91/70/14/1316917014.db2.gz LHUNKHWQBAEEKF-UHFFFAOYSA-N 1 0 342.399 2.252 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155460795 1317606504 /nfs/dbraw/zinc/60/65/04/1317606504.db2.gz AIVAJXZRZTUWAO-SECBINFHSA-N 1 0 333.175 2.087 20 5 EEBDRO Cc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)nc2ccc([N+](=O)[O-])cc12 ZINC001155510250 1317629155 /nfs/dbraw/zinc/62/91/55/1317629155.db2.gz PLPWODYIJNQHEL-SJCJKPOMSA-N 1 0 328.372 2.099 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc1-c1ccccc1 ZINC001155510006 1317629208 /nfs/dbraw/zinc/62/92/08/1317629208.db2.gz OPCLKMPZNXPNCI-MGPQQGTHSA-N 1 0 326.356 2.056 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155620580 1317677278 /nfs/dbraw/zinc/67/72/78/1317677278.db2.gz LUOXRHKLFHDCQL-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001156048571 1317851087 /nfs/dbraw/zinc/85/10/87/1317851087.db2.gz VBGFKMMRKRWHNM-UHFFFAOYSA-N 1 0 331.376 2.376 20 5 EEBDRO Cc1cnc(CC[NH3+])n1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465993 1318081511 /nfs/dbraw/zinc/08/15/11/1318081511.db2.gz UCUVDLLTWGGVJW-UHFFFAOYSA-N 1 0 329.404 2.442 20 5 EEBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586917 1318134506 /nfs/dbraw/zinc/13/45/06/1318134506.db2.gz NBYYXOMZQGFHKN-BZUAXINKSA-N 1 0 331.416 2.489 20 5 EEBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596929 1318138687 /nfs/dbraw/zinc/13/86/87/1318138687.db2.gz SMGQJKCFBXMEKJ-IUNXBHMESA-N 1 0 341.411 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(N3CC(F)(F)C3)CC1)C2 ZINC001254604967 1318142539 /nfs/dbraw/zinc/14/25/39/1318142539.db2.gz ZPJWODARLRAXAO-MRXNPFEDSA-N 1 0 337.370 2.477 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3ncccn3)C1)C2 ZINC001254606588 1318142616 /nfs/dbraw/zinc/14/26/16/1318142616.db2.gz GRUNVOFYSKVLSS-JKSUJKDBSA-N 1 0 326.356 2.005 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157435927 1318640893 /nfs/dbraw/zinc/64/08/93/1318640893.db2.gz SZLGXRXKMXGAIB-AWEZNQCLSA-N 1 0 327.388 2.331 20 5 EEBDRO COc1cc(N2CCC([NH2+]C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256083503 1318643208 /nfs/dbraw/zinc/64/32/08/1318643208.db2.gz QYWKUONGCXVFKK-UHFFFAOYSA-N 1 0 348.447 2.256 20 5 EEBDRO COc1ccc(C(C)C)cc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767030 1318845360 /nfs/dbraw/zinc/84/53/60/1318845360.db2.gz DJWBXONCMALFKD-HZPDHXFCSA-N 1 0 349.431 2.080 20 5 EEBDRO COc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1[N+](=O)[O-] ZINC001159333958 1319746277 /nfs/dbraw/zinc/74/62/77/1319746277.db2.gz OFUPBJCLPPSWKM-CYBMUJFWSA-N 1 0 330.344 2.483 20 5 EEBDRO Cc1cc(Cl)nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161277528 1320442537 /nfs/dbraw/zinc/44/25/37/1320442537.db2.gz WFNPVAIWQFSQQJ-XYPYZODXSA-N 1 0 340.811 2.427 20 5 EEBDRO COCCC1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC001161503480 1320519813 /nfs/dbraw/zinc/51/98/13/1320519813.db2.gz KFDRWCSWQNSIII-UHFFFAOYSA-N 1 0 345.403 2.356 20 5 EEBDRO Cc1cnc(CCNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)nc1 ZINC001162245488 1320794349 /nfs/dbraw/zinc/79/43/49/1320794349.db2.gz XBDANDFKXYNUTP-UHFFFAOYSA-N 1 0 345.403 2.288 20 5 EEBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162470046 1320865912 /nfs/dbraw/zinc/86/59/12/1320865912.db2.gz HHJCCUWPDIGYSQ-NEPJUHHUSA-N 1 0 341.433 2.046 20 5 EEBDRO COC(=O)COc1c(C)cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC001162987879 1321006141 /nfs/dbraw/zinc/00/61/41/1321006141.db2.gz LRQUAYRXXGTSAL-WMLDXEAASA-N 1 0 349.387 2.152 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC001163052159 1321024462 /nfs/dbraw/zinc/02/44/62/1321024462.db2.gz CSCZEGRZIDWGLB-GFCCVEGCSA-N 1 0 339.355 2.316 20 5 EEBDRO Cc1c(NCc2noc3c2C[NH2+]CC3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163132134 1321046952 /nfs/dbraw/zinc/04/69/52/1321046952.db2.gz ULXQOORZGYQGMP-UHFFFAOYSA-N 1 0 333.304 2.057 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1[N+](=O)[O-] ZINC001163203180 1321066503 /nfs/dbraw/zinc/06/65/03/1321066503.db2.gz UQWCOPSQCYRFKT-PXAZEXFGSA-N 1 0 349.387 2.093 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2C1 ZINC001165151869 1321466713 /nfs/dbraw/zinc/46/67/13/1321466713.db2.gz SDCJRJAACVYDHD-AOOOYVTPSA-N 1 0 333.779 2.189 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165434255 1321526025 /nfs/dbraw/zinc/52/60/25/1321526025.db2.gz QMBLIZNMGYVLKL-PXHZSSHCSA-N 1 0 349.410 2.035 20 5 EEBDRO COC(=O)C1(Nc2nccc3c2ccc(C)c3[N+](=O)[O-])CC[NH2+]CC1 ZINC001166923022 1321818330 /nfs/dbraw/zinc/81/83/30/1321818330.db2.gz RYERNJDPTXRJAS-UHFFFAOYSA-N 1 0 344.371 2.159 20 5 EEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1COCCO1 ZINC001261642062 1322146779 /nfs/dbraw/zinc/14/67/79/1322146779.db2.gz UZTQVUWPAYJVQC-LBPRGKRZSA-N 1 0 345.193 2.205 20 5 EEBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001263653680 1322499385 /nfs/dbraw/zinc/49/93/85/1322499385.db2.gz CCOCTVYJNMJRHF-UHFFFAOYSA-N 1 0 346.387 2.448 20 5 EEBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001263712184 1322506817 /nfs/dbraw/zinc/50/68/17/1322506817.db2.gz XOOHHZKEMQRRTF-FRFSOERESA-N 1 0 331.416 2.374 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[C@@H]1O ZINC001307594513 1331540700 /nfs/dbraw/zinc/54/07/00/1331540700.db2.gz GBOFYBAAFMSMMC-RISCZKNCSA-N 1 0 332.360 2.238 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609145186 1351860598 /nfs/dbraw/zinc/86/05/98/1351860598.db2.gz DIRMEAQZEKVJSK-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCC(CO)CC1)CCC2 ZINC001324760894 1333754237 /nfs/dbraw/zinc/75/42/37/1333754237.db2.gz NFSJSRWEFWBXCR-SFHVURJKSA-N 1 0 333.432 2.266 20 5 EEBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001327312066 1334264353 /nfs/dbraw/zinc/26/43/53/1334264353.db2.gz HBNHZDSRUNXREI-HNNXBMFYSA-N 1 0 349.387 2.341 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC001329498487 1334663164 /nfs/dbraw/zinc/66/31/64/1334663164.db2.gz GUXUVZSXJMYAQO-MRXNPFEDSA-N 1 0 346.431 2.487 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1=O ZINC001333630860 1336091559 /nfs/dbraw/zinc/09/15/59/1336091559.db2.gz XEFFXTOEDMHQPL-STQMWFEESA-N 1 0 342.399 2.485 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001336762285 1336591245 /nfs/dbraw/zinc/59/12/45/1336591245.db2.gz BXMUJFQQPXAGTG-JKSUJKDBSA-N 1 0 338.310 2.230 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC001336800605 1336597066 /nfs/dbraw/zinc/59/70/66/1336597066.db2.gz HRQXTVZUVNTRKD-ROUUACIJSA-N 1 0 328.368 2.052 20 5 EEBDRO CSCC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001340621484 1337216596 /nfs/dbraw/zinc/21/65/96/1337216596.db2.gz OESYOQJKTQBGSQ-CQSZACIVSA-N 1 0 325.434 2.412 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001340943062 1337268051 /nfs/dbraw/zinc/26/80/51/1337268051.db2.gz KGCKQENZWAIOGK-UHFFFAOYSA-N 1 0 347.423 2.122 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001345001169 1337417463 /nfs/dbraw/zinc/41/74/63/1337417463.db2.gz ZGBWPNWXBVFRPK-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO CNc1nccc(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000848790089 1338764605 /nfs/dbraw/zinc/76/46/05/1338764605.db2.gz JRVQGHKXTUJTLM-LBPRGKRZSA-N 1 0 336.392 2.451 20 5 EEBDRO CC[NH2+]CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001577849845 1344206510 /nfs/dbraw/zinc/20/65/10/1344206510.db2.gz ATGFHWOPCGOECF-UHFFFAOYSA-N 1 0 330.182 2.005 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)n1 ZINC001579642865 1344402417 /nfs/dbraw/zinc/40/24/17/1344402417.db2.gz ZJOQPFTWZMBFOI-ZDUSSCGKSA-N 1 0 340.383 2.466 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2C[C@@H]([NH3+])C23CCC3)c([N+](=O)[O-])c1=O ZINC001579947067 1344438121 /nfs/dbraw/zinc/43/81/21/1344438121.db2.gz GYVIHOQLAAURMY-CHWSQXEVSA-N 1 0 328.372 2.129 20 5 EEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579992996 1344445198 /nfs/dbraw/zinc/44/51/98/1344445198.db2.gz PQONRTVNNCDTKI-PRHODGIISA-N 1 0 333.314 2.291 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001580340347 1344511668 /nfs/dbraw/zinc/51/16/68/1344511668.db2.gz WMACYLFITWIQAC-UHFFFAOYSA-N 1 0 335.751 2.023 20 5 EEBDRO Nc1c(Cl)cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC001580432271 1344519303 /nfs/dbraw/zinc/51/93/03/1344519303.db2.gz JNFZNAIZGRIZJE-GUDFOSOFSA-N 1 0 338.795 2.091 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001580699686 1344552012 /nfs/dbraw/zinc/55/20/12/1344552012.db2.gz XLUDHRICQKAYSQ-GOSISDBHSA-N 1 0 346.431 2.455 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590624294 1349378697 /nfs/dbraw/zinc/37/86/97/1349378697.db2.gz IPIMESWTQLMNJZ-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000823921503 1368096294 /nfs/dbraw/zinc/09/62/94/1368096294.db2.gz VSRYVVLXBOCGDO-KBPBESRZSA-N 1 0 333.392 2.315 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1(C)COC1 ZINC000859570829 1369438913 /nfs/dbraw/zinc/43/89/13/1369438913.db2.gz IXSWWGTZMXPAOU-UHFFFAOYSA-N 1 0 325.340 2.031 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886672906 1369643271 /nfs/dbraw/zinc/64/32/71/1369643271.db2.gz WUSSUYAJHGZGTK-UGFHNGPFSA-N 1 0 326.368 2.185 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909972 1372575271 /nfs/dbraw/zinc/57/52/71/1372575271.db2.gz BWKNMNBMSUOAEN-GHJWDPDVSA-N 1 0 345.403 2.481 20 5 EEBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578486681 1403763296 /nfs/dbraw/zinc/76/32/96/1403763296.db2.gz WBQWEAXPXGOSEU-WOFXILAISA-N 1 0 326.194 2.007 20 5 EEBDRO CC(F)(F)C(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001755879339 1407932778 /nfs/dbraw/zinc/93/27/78/1407932778.db2.gz HYRFYZDSBYKBGP-UHFFFAOYSA-N 1 0 339.342 2.498 20 5 EEBDRO COc1ccccc1[C@H](C)N(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167106758 757331018 /nfs/dbraw/zinc/33/10/18/757331018.db2.gz HZVFXGPBVBEWCR-NSHDSACASA-N 1 0 343.387 2.278 20 5 EEBDRO CCCn1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001167449774 759521599 /nfs/dbraw/zinc/52/15/99/759521599.db2.gz YEBZOGVTKWWRCH-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1C ZINC000174954877 773407931 /nfs/dbraw/zinc/40/79/31/773407931.db2.gz PXPYZCVCFKWIQL-PSTGCABASA-N 1 0 346.387 2.050 20 5 EEBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CCCC1 ZINC000060460873 790377327 /nfs/dbraw/zinc/37/73/27/790377327.db2.gz NZBISWMFUPLFDB-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112120640 780858241 /nfs/dbraw/zinc/85/82/41/780858241.db2.gz DVFOSYZTGDFIFZ-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091469550 790938889 /nfs/dbraw/zinc/93/88/89/790938889.db2.gz GONDXUPHMRBHID-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO CC[C@]([NH3+])(CO)Nc1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170863092 784708159 /nfs/dbraw/zinc/70/81/59/784708159.db2.gz MLRRZFFZVNEKJH-OAHLLOKOSA-N 1 0 325.365 2.019 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972249 785366743 /nfs/dbraw/zinc/36/67/43/785366743.db2.gz HSAMNWFJKURSDN-RISCZKNCSA-N 1 0 347.337 2.102 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819083313 785394229 /nfs/dbraw/zinc/39/42/29/785394229.db2.gz ZFRIRDLUGQBBKS-NVXWUHKLSA-N 1 0 328.372 2.394 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107231251 786532114 /nfs/dbraw/zinc/53/21/14/786532114.db2.gz BCSLVRDHDPRYDO-SNAWJCMRSA-N 1 0 338.383 2.158 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000910286610 786618827 /nfs/dbraw/zinc/61/88/27/786618827.db2.gz HLKVJFNMIPYJNS-AWEZNQCLSA-N 1 0 344.415 2.492 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910286592 786619003 /nfs/dbraw/zinc/61/90/03/786619003.db2.gz CNACNFHPAFMYCT-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107475576 787319467 /nfs/dbraw/zinc/31/94/67/787319467.db2.gz LCHFQTCTNGYEHO-PLNGDYQASA-N 1 0 334.420 2.329 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C[N@@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001107565241 787666733 /nfs/dbraw/zinc/66/67/33/787666733.db2.gz ROWZXWZHLHCKNS-ONEGZZNKSA-N 1 0 346.431 2.472 20 5 EEBDRO Nc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000823949977 787986452 /nfs/dbraw/zinc/98/64/52/787986452.db2.gz AIIRPCRMPLAGMF-UHFFFAOYSA-N 1 0 333.392 2.173 20 5 EEBDRO Cc1nocc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996933350 788182012 /nfs/dbraw/zinc/18/20/12/788182012.db2.gz DVUBEIOCZUFYDJ-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001109664437 805855893 /nfs/dbraw/zinc/85/58/93/805855893.db2.gz ZCDKPRUDRVPINJ-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847155 788336567 /nfs/dbraw/zinc/33/65/67/788336567.db2.gz WQTFYKHHTGISLI-ZBFHGGJFSA-N 1 0 335.360 2.390 20 5 EEBDRO O=C(N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC000996984669 788345352 /nfs/dbraw/zinc/34/53/52/788345352.db2.gz NLOZUBORUIJRRY-UHFFFAOYSA-N 1 0 335.379 2.425 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825110771 788440430 /nfs/dbraw/zinc/44/04/30/788440430.db2.gz INQUESLSKXZHMB-PBHICJAKSA-N 1 0 349.431 2.399 20 5 EEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825394333 788609461 /nfs/dbraw/zinc/60/94/61/788609461.db2.gz ZJFALDSQTWSSCS-XJKSGUPXSA-N 1 0 349.431 2.255 20 5 EEBDRO C[NH+]1C[C@]2(C)CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913294247 788772479 /nfs/dbraw/zinc/77/24/79/788772479.db2.gz JNYKOAJTTLAGKW-IAGOWNOFSA-N 1 0 349.456 2.487 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001112353182 795289011 /nfs/dbraw/zinc/28/90/11/795289011.db2.gz VDQRSIGWAAHGAG-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO C[C@H]1COCCN1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901014 797129880 /nfs/dbraw/zinc/12/98/80/797129880.db2.gz FLYOMDVLMJIVNR-YOEHRIQHSA-N 1 0 333.432 2.153 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@H]3C[C@@H](CO)C[C@@H]31)CC2 ZINC001172903914 797131067 /nfs/dbraw/zinc/13/10/67/797131067.db2.gz JPBWNKYBVUSKMW-KRDRHDLTSA-N 1 0 346.427 2.314 20 5 EEBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911841 797170643 /nfs/dbraw/zinc/17/06/43/797170643.db2.gz GISQVWLDORKEDO-HOTGVXAUSA-N 1 0 346.431 2.236 20 5 EEBDRO [NH3+]Cc1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173008502 797195384 /nfs/dbraw/zinc/19/53/84/797195384.db2.gz AFDVNBAOGJHFAO-UHFFFAOYSA-N 1 0 337.330 2.370 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CC[N@H+](C)CC ZINC001106841530 797259613 /nfs/dbraw/zinc/25/96/13/797259613.db2.gz IJDJWUAIXSFVNU-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO Cc1ccc(OCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001150138005 797267104 /nfs/dbraw/zinc/26/71/04/797267104.db2.gz YUFHEZGWQFZGOJ-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@H]2CC[N@H+](C)C2)c1F ZINC001173190510 797282048 /nfs/dbraw/zinc/28/20/48/797282048.db2.gz ULDKJCQHFMWJNS-NEPJUHHUSA-N 1 0 325.384 2.309 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC001173190979 797282085 /nfs/dbraw/zinc/28/20/85/797282085.db2.gz YWSUFZHNGNDMPG-OLZOCXBDSA-N 1 0 337.395 2.454 20 5 EEBDRO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173190375 797282259 /nfs/dbraw/zinc/28/22/59/797282259.db2.gz WQLLPSWWWYYHMC-WMFXKJRFSA-N 1 0 341.383 2.163 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001173221969 797303149 /nfs/dbraw/zinc/30/31/49/797303149.db2.gz RNAAXHUDBXLSSR-ZBFHGGJFSA-N 1 0 333.432 2.369 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc2n1CCOC2 ZINC000921976613 798512514 /nfs/dbraw/zinc/51/25/14/798512514.db2.gz QBUJLOXOTFYJFG-UHFFFAOYSA-N 1 0 336.779 2.307 20 5 EEBDRO Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001178458595 799484207 /nfs/dbraw/zinc/48/42/07/799484207.db2.gz NMBSVVQDEDFSCU-IAGOWNOFSA-N 1 0 333.432 2.426 20 5 EEBDRO CS[C@H]1CCC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000922327794 800601592 /nfs/dbraw/zinc/60/15/92/800601592.db2.gz HSLJRQJNZVKEBC-ARLBYUKCSA-N 1 0 340.445 2.253 20 5 EEBDRO Cc1ocnc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086319710 802734668 /nfs/dbraw/zinc/73/46/68/802734668.db2.gz SFSPTZGKHKQDQZ-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363484 802829739 /nfs/dbraw/zinc/82/97/39/802829739.db2.gz WWWDKHOUMFWKKB-QBPKDAKJSA-N 1 0 337.464 2.497 20 5 EEBDRO Cc1ncn(-c2ccc(N(C)C)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168790557 803338800 /nfs/dbraw/zinc/33/88/00/803338800.db2.gz OLCMKULHYBKURJ-UHFFFAOYSA-N 1 0 335.433 2.347 20 5 EEBDRO [NH3+]Cc1ccc2ncn(-c3ccc4nsnc4c3[N+](=O)[O-])c2c1 ZINC001168847030 803480314 /nfs/dbraw/zinc/48/03/14/803480314.db2.gz ASPNRCCFLJKQND-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964235 803551972 /nfs/dbraw/zinc/55/19/72/803551972.db2.gz SCVALJDVWOZTJP-FQUUOJAGSA-N 1 0 327.425 2.325 20 5 EEBDRO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168964719 803552000 /nfs/dbraw/zinc/55/20/00/803552000.db2.gz VLAODZRRQRYGEA-YIYPIFLZSA-N 1 0 327.425 2.419 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC001168966509 803552708 /nfs/dbraw/zinc/55/27/08/803552708.db2.gz IVPXKAIBPVNBBM-HOTGVXAUSA-N 1 0 325.453 2.057 20 5 EEBDRO O=C1NCCCN1c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168998040 803563845 /nfs/dbraw/zinc/56/38/45/803563845.db2.gz HPEDBGMFZLNJEG-GJZGRUSLSA-N 1 0 332.404 2.141 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001206 803566513 /nfs/dbraw/zinc/56/65/13/803566513.db2.gz DOMQYUPALAODLG-AAVRWANBSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009691 803570414 /nfs/dbraw/zinc/57/04/14/803570414.db2.gz XHAVJBAEMKLTFD-IHRRRGAJSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034965 803579296 /nfs/dbraw/zinc/57/92/96/803579296.db2.gz IXDYJUXEFPXDQQ-MELADBBJSA-N 1 0 327.425 2.278 20 5 EEBDRO C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042848 803584508 /nfs/dbraw/zinc/58/45/08/803584508.db2.gz GMRGNKWUPAAEHH-GBESFXJTSA-N 1 0 347.459 2.265 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)C1 ZINC001169025830 803591228 /nfs/dbraw/zinc/59/12/28/803591228.db2.gz ZCMYEKMCSAQXHL-VYDXJSESSA-N 1 0 346.431 2.261 20 5 EEBDRO Cc1ccc(NCCCN(C)C(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001109454644 805491971 /nfs/dbraw/zinc/49/19/71/805491971.db2.gz KPZHETVXVSGONW-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000788472315 807541293 /nfs/dbraw/zinc/54/12/93/807541293.db2.gz BCXNSQNZLBPTJD-INIZCTEOSA-N 1 0 346.387 2.142 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000789509351 808033713 /nfs/dbraw/zinc/03/37/13/808033713.db2.gz UMCAPBRSTZHVPL-HUUCEWRRSA-N 1 0 331.376 2.249 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)CCSC)c([N+](=O)[O-])c1 ZINC001170297199 809870015 /nfs/dbraw/zinc/87/00/15/809870015.db2.gz LWAPALQZNGNPQH-YPMHNXCESA-N 1 0 328.434 2.238 20 5 EEBDRO COc1ccc(C[C@H](C)n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001170305544 809874811 /nfs/dbraw/zinc/87/48/11/809874811.db2.gz MVJNBLPHDIPXHM-SMDDNHRTSA-N 1 0 330.388 2.420 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3cnn(C)c3C2)c([N+](=O)[O-])c1 ZINC001170352425 809901092 /nfs/dbraw/zinc/90/10/92/809901092.db2.gz NGCPJQBCSVKXST-GFCCVEGCSA-N 1 0 330.388 2.326 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351514 809919932 /nfs/dbraw/zinc/91/99/32/809919932.db2.gz CWFBHVGBXBHDGI-DOMZBBRYSA-N 1 0 335.404 2.087 20 5 EEBDRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000902357978 980851349 /nfs/dbraw/zinc/85/13/49/980851349.db2.gz DVDKGMUNGNIASS-UHFFFAOYSA-N 1 0 335.404 2.056 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001520821153 1119196524 /nfs/dbraw/zinc/19/65/24/1119196524.db2.gz XUDVEGYHXYOZBY-ZDUSSCGKSA-N 1 0 336.440 2.090 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051469726 214094986 /nfs/dbraw/zinc/09/49/86/214094986.db2.gz PFLUOCQDTGYYGZ-UHFFFAOYSA-N 1 0 334.401 2.400 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757381 214341190 /nfs/dbraw/zinc/34/11/90/214341190.db2.gz ZQFXNNLMCIWZFI-XQQFMLRXSA-N 1 0 334.420 2.394 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174558202 231241390 /nfs/dbraw/zinc/24/13/90/231241390.db2.gz WMUNYLNTBMSQCM-CYBMUJFWSA-N 1 0 332.404 2.125 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418788770 530004285 /nfs/dbraw/zinc/00/42/85/530004285.db2.gz KNICAFXOQRSTTH-BPLDGKMQSA-N 1 0 332.404 2.124 20 5 EEBDRO Cn1cc(CN2C[C@H](F)C[C@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000354836068 282641342 /nfs/dbraw/zinc/64/13/42/282641342.db2.gz AQENZCXAOAUWOW-CVEARBPZSA-N 1 0 347.394 2.031 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423243535 282749453 /nfs/dbraw/zinc/74/94/53/282749453.db2.gz GLHBQFHEFKIPRG-CJNGLKHVSA-N 1 0 329.404 2.007 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236729249 295893977 /nfs/dbraw/zinc/89/39/77/295893977.db2.gz QYZQNLMDWDCWCB-ZDUSSCGKSA-N 1 0 334.420 2.250 20 5 EEBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262530868 295897300 /nfs/dbraw/zinc/89/73/00/295897300.db2.gz NMVJTDPPHQRCIL-UPJWGTAASA-N 1 0 334.420 2.154 20 5 EEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188037984 236396775 /nfs/dbraw/zinc/39/67/75/236396775.db2.gz YZHSBIIIBLSJHZ-FZMZJTMJSA-N 1 0 335.404 2.324 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ncccc2F)n1 ZINC000447583547 242290888 /nfs/dbraw/zinc/29/08/88/242290888.db2.gz BWZLITLHZADTKL-KBPBESRZSA-N 1 0 349.366 2.478 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000236850727 242383218 /nfs/dbraw/zinc/38/32/18/242383218.db2.gz DUYCJUGCQZZPDB-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246142860 243199806 /nfs/dbraw/zinc/19/98/06/243199806.db2.gz DWAOXYSIRGHJOZ-BBRMVZONSA-N 1 0 332.404 2.092 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456269182 244203035 /nfs/dbraw/zinc/20/30/35/244203035.db2.gz JQQSMFUNEYUVMU-OAHLLOKOSA-N 1 0 343.387 2.287 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459748323 245234330 /nfs/dbraw/zinc/23/43/30/245234330.db2.gz KERTWAYBMGQALN-NWDGAFQWSA-N 1 0 331.376 2.396 20 5 EEBDRO CC(C)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000078344765 217041938 /nfs/dbraw/zinc/04/19/38/217041938.db2.gz KEOGAGQZWTWPAG-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000079069779 217186286 /nfs/dbraw/zinc/18/62/86/217186286.db2.gz KDGFEHBFSJHERH-CQSZACIVSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495458148 247163746 /nfs/dbraw/zinc/16/37/46/247163746.db2.gz HIMJNYPPBVJRQQ-JQIVSHAJSA-N 1 0 331.372 2.428 20 5 EEBDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000495614758 247210464 /nfs/dbraw/zinc/21/04/64/247210464.db2.gz BORQMWBVHIAUPR-UHFFFAOYSA-N 1 0 337.376 2.171 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000266133132 248120041 /nfs/dbraw/zinc/12/00/41/248120041.db2.gz KSDNOAYPUVEIRU-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266546134 248353994 /nfs/dbraw/zinc/35/39/94/248353994.db2.gz RMZXMHJCBITWRU-OAHLLOKOSA-N 1 0 348.447 2.142 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093899751 218256614 /nfs/dbraw/zinc/25/66/14/218256614.db2.gz QUFAGZCJMWHKQP-SECBINFHSA-N 1 0 331.319 2.010 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000267411258 256057499 /nfs/dbraw/zinc/05/74/99/256057499.db2.gz OPPDSELSIUTDIP-CABCVRRESA-N 1 0 334.420 2.309 20 5 EEBDRO COc1cc(N2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000267251404 256042438 /nfs/dbraw/zinc/04/24/38/256042438.db2.gz UQYWPZJWNIXNKE-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000270474932 256139241 /nfs/dbraw/zinc/13/92/41/256139241.db2.gz MLMOXJWESQPERB-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268126294 256115902 /nfs/dbraw/zinc/11/59/02/256115902.db2.gz AOWYQHVWVIAAAK-FZMZJTMJSA-N 1 0 343.387 2.019 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)CC1(C)C ZINC000271059490 256203863 /nfs/dbraw/zinc/20/38/63/256203863.db2.gz SAOKHXKIWDDEFE-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106379 256354696 /nfs/dbraw/zinc/35/46/96/256354696.db2.gz VFXVNPBZHAEXAM-UTUOFQBUSA-N 1 0 337.376 2.099 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000119709462 221383067 /nfs/dbraw/zinc/38/30/67/221383067.db2.gz ZMRNLOFRDWXMOX-GFCCVEGCSA-N 1 0 349.412 2.136 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000179139610 296514446 /nfs/dbraw/zinc/51/44/46/296514446.db2.gz PFTZZUKWXCVWFM-GDBMZVCRSA-N 1 0 334.416 2.437 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC000123188191 292279664 /nfs/dbraw/zinc/27/96/64/292279664.db2.gz SUHQESXNELNIJD-IUODEOHRSA-N 1 0 344.415 2.288 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354151779 153140639 /nfs/dbraw/zinc/14/06/39/153140639.db2.gz YNPHTXRGUIINTG-UHFFFAOYSA-N 1 0 342.399 2.385 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000354164356 153146840 /nfs/dbraw/zinc/14/68/40/153146840.db2.gz SBSHMYLDJATDCG-UYZDIKGJSA-N 1 0 343.387 2.029 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000359479211 153387982 /nfs/dbraw/zinc/38/79/82/153387982.db2.gz YUENWYKHBDKKGK-BETUJISGSA-N 1 0 330.413 2.370 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000252441529 160391523 /nfs/dbraw/zinc/39/15/23/160391523.db2.gz NHLSEIVVVUQRSE-GHMZBOCLSA-N 1 0 348.359 2.447 20 5 EEBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000160323417 159708222 /nfs/dbraw/zinc/70/82/22/159708222.db2.gz HCOCSGIWYMHDRH-HOTGVXAUSA-N 1 0 341.415 2.420 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]CCCNC(C)=O)o2)c([N+](=O)[O-])c1 ZINC000237287595 160220451 /nfs/dbraw/zinc/22/04/51/160220451.db2.gz LLPATRNECZWJSF-UHFFFAOYSA-N 1 0 347.371 2.479 20 5 EEBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245699990 160248509 /nfs/dbraw/zinc/24/85/09/160248509.db2.gz NCVVFRRLJXSEFK-XJKSGUPXSA-N 1 0 331.372 2.423 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000247013517 160305838 /nfs/dbraw/zinc/30/58/38/160305838.db2.gz ZESMKQNUHJSWJH-IOASZLSFSA-N 1 0 333.388 2.423 20 5 EEBDRO CC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247571347 160329458 /nfs/dbraw/zinc/32/94/58/160329458.db2.gz RUMXVGRPRGUYNI-HIFRSBDPSA-N 1 0 326.418 2.162 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)c(F)c1 ZINC000337819734 160675235 /nfs/dbraw/zinc/67/52/35/160675235.db2.gz QDTXQHBALDOJBU-UHFFFAOYSA-N 1 0 342.334 2.042 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341980933 161028941 /nfs/dbraw/zinc/02/89/41/161028941.db2.gz DFUDJCGDOOYWDT-UHFFFAOYSA-N 1 0 333.310 2.421 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343388419 161131129 /nfs/dbraw/zinc/13/11/29/161131129.db2.gz PRXUYKHLJSGYQE-INIZCTEOSA-N 1 0 335.404 2.352 20 5 EEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000345762476 161330070 /nfs/dbraw/zinc/33/00/70/161330070.db2.gz IFMSEGBCXGTIAU-UHFFFAOYSA-N 1 0 349.435 2.048 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000345990784 161348133 /nfs/dbraw/zinc/34/81/33/161348133.db2.gz ZKAASLSOSMGNGW-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351604743 161847692 /nfs/dbraw/zinc/84/76/92/161847692.db2.gz VZXUHYHOKWKRPR-UHFFFAOYSA-N 1 0 345.403 2.302 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000352576712 162196718 /nfs/dbraw/zinc/19/67/18/162196718.db2.gz LHKNFSAAAMWKBR-JTQLQIEISA-N 1 0 349.478 2.363 20 5 EEBDRO Cc1c(C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cccc1[N+](=O)[O-] ZINC000359031616 164041422 /nfs/dbraw/zinc/04/14/22/164041422.db2.gz PZTGSYOKWOWVMG-OAHLLOKOSA-N 1 0 331.347 2.229 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000359051457 164046952 /nfs/dbraw/zinc/04/69/52/164046952.db2.gz FCTZGUDKLYMYBH-CQSZACIVSA-N 1 0 334.420 2.306 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368053777 166042802 /nfs/dbraw/zinc/04/28/02/166042802.db2.gz BOONPIPYGYUODN-KRWDZBQOSA-N 1 0 335.404 2.264 20 5 EEBDRO CC(=O)N[C@H](C)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000360615628 164351672 /nfs/dbraw/zinc/35/16/72/164351672.db2.gz ZOCXZMKIIBHMHA-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360667402 164360670 /nfs/dbraw/zinc/36/06/70/164360670.db2.gz XCMPHAIJDZSNMN-ZJUUUORDSA-N 1 0 347.824 2.009 20 5 EEBDRO CCc1nn(C)c(CC)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369555371 166284296 /nfs/dbraw/zinc/28/42/96/166284296.db2.gz BSRJBJZYBVAMMF-UHFFFAOYSA-N 1 0 346.435 2.487 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000374032013 167006457 /nfs/dbraw/zinc/00/64/57/167006457.db2.gz IMCCIARAPJZWHH-OAHLLOKOSA-N 1 0 347.415 2.369 20 5 EEBDRO COC(=O)C1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278703741 269241782 /nfs/dbraw/zinc/24/17/82/269241782.db2.gz NYRCVULGEIORQP-UHFFFAOYSA-N 1 0 332.360 2.293 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000184187193 274020056 /nfs/dbraw/zinc/02/00/56/274020056.db2.gz ZWRUFUCPUNKZON-UHFFFAOYSA-N 1 0 342.399 2.384 20 5 EEBDRO CN(CC(=O)NCC1([NH3+])CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000237055645 274086781 /nfs/dbraw/zinc/08/67/81/274086781.db2.gz LBVXLHQVJSZRLP-UHFFFAOYSA-N 1 0 334.420 2.199 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000275847485 274268944 /nfs/dbraw/zinc/26/89/44/274268944.db2.gz RDCUOORDKUZIGX-SNVBAGLBSA-N 1 0 333.310 2.116 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278566440 274374365 /nfs/dbraw/zinc/37/43/65/274374365.db2.gz CYYMWNXMKAIBPA-SJCJKPOMSA-N 1 0 332.356 2.484 20 5 EEBDRO Cc1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350073 274749509 /nfs/dbraw/zinc/74/95/09/274749509.db2.gz PIVDPROPVSYCKZ-HOTGVXAUSA-N 1 0 332.448 2.365 20 5 EEBDRO O=C(NCC[NH+]1CCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426263485 274980837 /nfs/dbraw/zinc/98/08/37/274980837.db2.gz MVCHUGLFESSRNK-UHFFFAOYSA-N 1 0 346.309 2.119 20 5 EEBDRO O=c1[nH]c(N2CCC[C@H]([NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376158901 275038849 /nfs/dbraw/zinc/03/88/49/275038849.db2.gz RLFXOGPQZVDTJJ-ZDUSSCGKSA-N 1 0 343.387 2.308 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000288362360 275050500 /nfs/dbraw/zinc/05/05/00/275050500.db2.gz HDRXDJNXVHDMPU-MRXNPFEDSA-N 1 0 343.431 2.483 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600225 275074439 /nfs/dbraw/zinc/07/44/39/275074439.db2.gz YPDGTBFCTGQYIZ-NHYWBVRUSA-N 1 0 348.359 2.202 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359066747 276033120 /nfs/dbraw/zinc/03/31/20/276033120.db2.gz UYXNEFRQGWSYKE-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO C[C@@H]1C[NH+](CC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263768476 277886697 /nfs/dbraw/zinc/88/66/97/277886697.db2.gz RXNRJJYXUUHNMT-ZIAGYGMSSA-N 1 0 334.420 2.315 20 5 EEBDRO CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271137613 278148408 /nfs/dbraw/zinc/14/84/08/278148408.db2.gz OICZDORUCKZKRP-LSDHHAIUSA-N 1 0 337.445 2.031 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000358201190 278384786 /nfs/dbraw/zinc/38/47/86/278384786.db2.gz JGGMXXIGUQCBEF-WBMJQRKESA-N 1 0 333.388 2.025 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420254277 279602891 /nfs/dbraw/zinc/60/28/91/279602891.db2.gz CMRLXXIBTUMNHE-JSGCOSHPSA-N 1 0 334.420 2.297 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)c(F)c1 ZINC000293081383 293120101 /nfs/dbraw/zinc/12/01/01/293120101.db2.gz WGXCZPPPZQVQBL-GFCCVEGCSA-N 1 0 344.350 2.467 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293979586 293342647 /nfs/dbraw/zinc/34/26/47/293342647.db2.gz MVBPLKSEMAKDBG-TXEJJXNPSA-N 1 0 332.404 2.334 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000294780628 293542290 /nfs/dbraw/zinc/54/22/90/293542290.db2.gz GRTJLHNEIMAONE-CYBMUJFWSA-N 1 0 343.387 2.043 20 5 EEBDRO C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1=CC[N@H+](C)CC1 ZINC000332500388 312016052 /nfs/dbraw/zinc/01/60/52/312016052.db2.gz QZVNAKNBDPHNID-CYBMUJFWSA-N 1 0 344.415 2.313 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000332514798 312018257 /nfs/dbraw/zinc/01/82/57/312018257.db2.gz JMOJYLIIZOWRLB-GXTWGEPZSA-N 1 0 333.388 2.160 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2cccnc21 ZINC000413160623 312806636 /nfs/dbraw/zinc/80/66/36/312806636.db2.gz DGPMSARQSODRDL-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO Cc1cc(N2CC[C@@](C)([NH2+]CC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000416431444 313221746 /nfs/dbraw/zinc/22/17/46/313221746.db2.gz BFZDHBXLOCHENX-QGZVFWFLSA-N 1 0 344.371 2.094 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417237391 313460258 /nfs/dbraw/zinc/46/02/58/313460258.db2.gz WGDLMCYZJYTDAX-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000417708148 313572433 /nfs/dbraw/zinc/57/24/33/313572433.db2.gz BMCFKLWJLSTRNE-XJKSGUPXSA-N 1 0 334.420 2.296 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417992695 313679857 /nfs/dbraw/zinc/67/98/57/313679857.db2.gz PCHUMRWKBRXXTI-UHFFFAOYSA-N 1 0 340.811 2.232 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420436001 313958047 /nfs/dbraw/zinc/95/80/47/313958047.db2.gz AEAMXULVMYRAQB-NSHDSACASA-N 1 0 347.824 2.059 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000421705163 314145800 /nfs/dbraw/zinc/14/58/00/314145800.db2.gz QRIJQDAJMJSMJP-CYBMUJFWSA-N 1 0 325.796 2.343 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000433516615 314779891 /nfs/dbraw/zinc/77/98/91/314779891.db2.gz HGLASKMGYLEELR-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000438996801 315062683 /nfs/dbraw/zinc/06/26/83/315062683.db2.gz ICKYFBPUKWEJJB-ZDUSSCGKSA-N 1 0 326.418 2.164 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(Cc3ccccc3)CCOCC2)n1 ZINC000451943236 315470861 /nfs/dbraw/zinc/47/08/61/315470861.db2.gz VMOPWTUZAZOCHX-UHFFFAOYSA-N 1 0 330.388 2.173 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459794500 315760104 /nfs/dbraw/zinc/76/01/04/315760104.db2.gz POIIAECKSBSTII-LBPRGKRZSA-N 1 0 331.376 2.316 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000524417827 317016265 /nfs/dbraw/zinc/01/62/65/317016265.db2.gz ZYXWXPMUWVSONL-AWEZNQCLSA-N 1 0 337.420 2.238 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532228581 317849449 /nfs/dbraw/zinc/84/94/49/317849449.db2.gz BLGDRNGCFUQIGX-ZDUSSCGKSA-N 1 0 335.404 2.191 20 5 EEBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000533068606 317896572 /nfs/dbraw/zinc/89/65/72/317896572.db2.gz HXGHRLNBBRWVRQ-UHFFFAOYSA-N 1 0 349.387 2.389 20 5 EEBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862646 318011423 /nfs/dbraw/zinc/01/14/23/318011423.db2.gz KHXLBFHIRHMLBU-OLZOCXBDSA-N 1 0 341.433 2.041 20 5 EEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000542527631 318131514 /nfs/dbraw/zinc/13/15/14/318131514.db2.gz WBPLHXKACAPVTM-CQSZACIVSA-N 1 0 339.392 2.193 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000546705245 318262463 /nfs/dbraw/zinc/26/24/63/318262463.db2.gz RJGYLDYQRGDCHZ-LLVKDONJSA-N 1 0 331.376 2.180 20 5 EEBDRO CC1CC[NH+](CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000564209124 319072758 /nfs/dbraw/zinc/07/27/58/319072758.db2.gz GZHAFOODGIRDEH-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO [NH3+][C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000564833177 319115604 /nfs/dbraw/zinc/11/56/04/319115604.db2.gz LEULWGYELYMJNU-MRXNPFEDSA-N 1 0 327.384 2.214 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000570910778 319708897 /nfs/dbraw/zinc/70/88/97/319708897.db2.gz CSRZUBXHGZIPKS-UHFFFAOYSA-N 1 0 332.404 2.270 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000576120258 320143366 /nfs/dbraw/zinc/14/33/66/320143366.db2.gz AWMBWWVCEFPGLU-UHFFFAOYSA-N 1 0 330.388 2.102 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000576254377 320156153 /nfs/dbraw/zinc/15/61/53/320156153.db2.gz JJSMUSCWQHTLQS-SMDDNHRTSA-N 1 0 331.376 2.048 20 5 EEBDRO CC[C@H](C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578316780 320307204 /nfs/dbraw/zinc/30/72/04/320307204.db2.gz LXDHXDIQCQAZKW-WFASDCNBSA-N 1 0 344.433 2.019 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CC2CC2)CC1 ZINC000193514420 323487245 /nfs/dbraw/zinc/48/72/45/323487245.db2.gz DDHQRXADTUHBAA-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000580075670 323988448 /nfs/dbraw/zinc/98/84/48/323988448.db2.gz WPOYUIFZVNVJJV-UHFFFAOYSA-N 1 0 348.447 2.255 20 5 EEBDRO [NH3+][C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000580542264 324083565 /nfs/dbraw/zinc/08/35/65/324083565.db2.gz KUDXCVWNOWJXJE-AWEZNQCLSA-N 1 0 325.368 2.444 20 5 EEBDRO CC[NH+](CC)CCOCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000612453106 449714724 /nfs/dbraw/zinc/71/47/24/449714724.db2.gz HEQIRZXKQLAJEA-UHFFFAOYSA-N 1 0 333.392 2.308 20 5 EEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1c([N+](=O)[O-])ncn1C ZINC000339038492 465043137 /nfs/dbraw/zinc/04/31/37/465043137.db2.gz UBTKTLUMNGTKCS-UHFFFAOYSA-N 1 0 337.346 2.429 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000341291263 465095459 /nfs/dbraw/zinc/09/54/59/465095459.db2.gz VIQCGJVRJBFVAQ-IPYPFGDCSA-N 1 0 334.420 2.384 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358416634 465108917 /nfs/dbraw/zinc/10/89/17/465108917.db2.gz DDDHIPBZDAUVEQ-AWEZNQCLSA-N 1 0 349.406 2.467 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000341328139 465113914 /nfs/dbraw/zinc/11/39/14/465113914.db2.gz KCMDLYFZWJZMBL-UHFFFAOYSA-N 1 0 335.404 2.214 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296209158 465117786 /nfs/dbraw/zinc/11/77/86/465117786.db2.gz FYVLKAQINXTQFV-ZBFHGGJFSA-N 1 0 333.432 2.459 20 5 EEBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635785 465139424 /nfs/dbraw/zinc/13/94/24/465139424.db2.gz YDDDWPHDCBBJJN-SWLSCSKDSA-N 1 0 347.371 2.089 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000296451669 465199885 /nfs/dbraw/zinc/19/98/85/465199885.db2.gz XBBJGGPANTWGFL-AOOOYVTPSA-N 1 0 343.305 2.247 20 5 EEBDRO Nc1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000590569981 468275154 /nfs/dbraw/zinc/27/51/54/468275154.db2.gz SLBULWYYDKPBDC-LBPRGKRZSA-N 1 0 333.417 2.883 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590568352 468275464 /nfs/dbraw/zinc/27/54/64/468275464.db2.gz DJFUMHRCFYDWMM-NSHDSACASA-N 1 0 334.332 2.084 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000085620859 462555173 /nfs/dbraw/zinc/55/51/73/462555173.db2.gz NWEOKZAYHDKARC-UHFFFAOYSA-N 1 0 338.408 2.301 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000045313720 462576667 /nfs/dbraw/zinc/57/66/67/462576667.db2.gz VJYYIYWRVGIPRC-LBPRGKRZSA-N 1 0 328.372 2.100 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128020082 462602725 /nfs/dbraw/zinc/60/27/25/462602725.db2.gz MUCVZVCTKKNLKI-HNNXBMFYSA-N 1 0 346.431 2.341 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000074763849 462631845 /nfs/dbraw/zinc/63/18/45/462631845.db2.gz LKRBVWZVSWTZNM-INIZCTEOSA-N 1 0 346.431 2.407 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063464812 462645940 /nfs/dbraw/zinc/64/59/40/462645940.db2.gz QUCIMCLBUFWYEK-UHFFFAOYSA-N 1 0 345.403 2.098 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063722023 462665392 /nfs/dbraw/zinc/66/53/92/462665392.db2.gz VCLHQOHHVGMELN-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO CC(C)C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000046503376 462686279 /nfs/dbraw/zinc/68/62/79/462686279.db2.gz YEWXMPKNBXCJQB-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000064299854 462692742 /nfs/dbraw/zinc/69/27/42/462692742.db2.gz QMHCSQXLSCWWAP-INIZCTEOSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](C)CC1 ZINC000129610603 462715521 /nfs/dbraw/zinc/71/55/21/462715521.db2.gz ZVBPOYOEIOVUPH-LLVKDONJSA-N 1 0 341.795 2.180 20 5 EEBDRO CCC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000007365690 462732347 /nfs/dbraw/zinc/73/23/47/462732347.db2.gz HBIIFZLYNMIHOH-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116372494 462757173 /nfs/dbraw/zinc/75/71/73/462757173.db2.gz FRLAHRQSMAGIBJ-AWEZNQCLSA-N 1 0 343.449 2.240 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072485 462800699 /nfs/dbraw/zinc/80/06/99/462800699.db2.gz RUMXVGRPRGUYNI-DZGCQCFKSA-N 1 0 326.418 2.162 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155760976 462940223 /nfs/dbraw/zinc/94/02/23/462940223.db2.gz OIVCSOYKZCRMDE-NHYWBVRUSA-N 1 0 348.359 2.059 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000133767283 462967860 /nfs/dbraw/zinc/96/78/60/462967860.db2.gz IUTBPLQZMSLLAR-ULQDDVLXSA-N 1 0 330.388 2.078 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000050995355 463015195 /nfs/dbraw/zinc/01/51/95/463015195.db2.gz RTHOUHRKJRDSSY-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000120605690 463017890 /nfs/dbraw/zinc/01/78/90/463017890.db2.gz RMKDIQQAZFLMNC-GJZGRUSLSA-N 1 0 335.404 2.329 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000068443409 463137979 /nfs/dbraw/zinc/13/79/79/463137979.db2.gz CEYRGMFIWOWSSP-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC12CCC2 ZINC000135547985 463172389 /nfs/dbraw/zinc/17/23/89/463172389.db2.gz JYYGJWONMWLTNE-UHFFFAOYSA-N 1 0 333.388 2.487 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053721566 463185837 /nfs/dbraw/zinc/18/58/37/463185837.db2.gz NUGSMHNSBNSGSY-UHFFFAOYSA-N 1 0 328.372 2.271 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079697447 463242397 /nfs/dbraw/zinc/24/23/97/463242397.db2.gz BRQKIRKLMZDCEX-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000123183504 463323341 /nfs/dbraw/zinc/32/33/41/463323341.db2.gz WWIKFDOWYPXNQN-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000124437220 463422816 /nfs/dbraw/zinc/42/28/16/463422816.db2.gz JFOFIQOAWWONIF-UHFFFAOYSA-N 1 0 335.448 2.428 20 5 EEBDRO CC(C)N(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125763791 463576328 /nfs/dbraw/zinc/57/63/28/463576328.db2.gz SBKPXXWMMATWML-GASCZTMLSA-N 1 0 349.431 2.441 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170713196 463699026 /nfs/dbraw/zinc/69/90/26/463699026.db2.gz MYOIUTXDKQNVGB-OAHLLOKOSA-N 1 0 332.404 2.012 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000170741326 463701867 /nfs/dbraw/zinc/70/18/67/463701867.db2.gz CWFNDUXCLUTDFV-OAHLLOKOSA-N 1 0 343.387 2.315 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000177451906 463707860 /nfs/dbraw/zinc/70/78/60/463707860.db2.gz HRTGWPWBZQMABD-MNOVXSKESA-N 1 0 331.376 2.074 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]12 ZINC000185105699 463753491 /nfs/dbraw/zinc/75/34/91/463753491.db2.gz FMIVFUHYWPSUPY-DAXOMENPSA-N 1 0 344.415 2.004 20 5 EEBDRO COc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276836688 463774680 /nfs/dbraw/zinc/77/46/80/463774680.db2.gz PGFLPJIOBNVLIN-UHFFFAOYSA-N 1 0 335.404 2.374 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000171126086 463791932 /nfs/dbraw/zinc/79/19/32/463791932.db2.gz ZWOULIOGAAEKAV-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1cccc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000568744796 468381637 /nfs/dbraw/zinc/38/16/37/468381637.db2.gz GBINSEYSUPIYSV-HNNXBMFYSA-N 1 0 327.388 2.422 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269113378 463879511 /nfs/dbraw/zinc/87/95/11/463879511.db2.gz YHFDGWLOKZOOTK-TZMCWYRMSA-N 1 0 348.403 2.087 20 5 EEBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000283443925 463887217 /nfs/dbraw/zinc/88/72/17/463887217.db2.gz QSOWDDOMPCFUAQ-ZDUSSCGKSA-N 1 0 334.420 2.169 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194618800 463896409 /nfs/dbraw/zinc/89/64/09/463896409.db2.gz OWPZKOUCNXHJBP-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194773023 463926041 /nfs/dbraw/zinc/92/60/41/463926041.db2.gz NJTCFJRCXLBSFT-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000194935621 463962110 /nfs/dbraw/zinc/96/21/10/463962110.db2.gz VTYGUPOYGZCQMN-QGZVFWFLSA-N 1 0 335.404 2.475 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262224215 463976813 /nfs/dbraw/zinc/97/68/13/463976813.db2.gz NAWUEEFHOXAJJG-ZWKOTPCHSA-N 1 0 339.395 2.481 20 5 EEBDRO COc1ccc(NC(=O)CN2CCSCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279233834 464072050 /nfs/dbraw/zinc/07/20/50/464072050.db2.gz JKQSOKVGSHNIJZ-NSHDSACASA-N 1 0 339.417 2.369 20 5 EEBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279235590 464073533 /nfs/dbraw/zinc/07/35/33/464073533.db2.gz FIXJJTFLDTYNMO-WBMJQRKESA-N 1 0 333.388 2.057 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179765692 464183232 /nfs/dbraw/zinc/18/32/32/464183232.db2.gz RHLOXXNLZXDQGC-QGZVFWFLSA-N 1 0 344.371 2.303 20 5 EEBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000284447972 464194912 /nfs/dbraw/zinc/19/49/12/464194912.db2.gz CJJDYZBAPFFZPV-CHWSQXEVSA-N 1 0 343.330 2.106 20 5 EEBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229936176 464200715 /nfs/dbraw/zinc/20/07/15/464200715.db2.gz AKHQAMWFKGSVOJ-SNVBAGLBSA-N 1 0 340.181 2.407 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188117197 464203829 /nfs/dbraw/zinc/20/38/29/464203829.db2.gz NIWNUBSYWLTHCH-UHFFFAOYSA-N 1 0 345.403 2.419 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000270259435 464236586 /nfs/dbraw/zinc/23/65/86/464236586.db2.gz XAEWPFVFHJNSRM-UHFFFAOYSA-N 1 0 331.294 2.391 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270990164 464272509 /nfs/dbraw/zinc/27/25/09/464272509.db2.gz DWLLMGSDCJUTSR-NWDGAFQWSA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1c(CNC(=O)NCC2(C)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000359553509 465451011 /nfs/dbraw/zinc/45/10/11/465451011.db2.gz SGNDKVNDNKXGDA-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173931569 464333583 /nfs/dbraw/zinc/33/35/83/464333583.db2.gz KUHZPXNDIOCONS-UHFFFAOYSA-N 1 0 346.391 2.017 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237663516 464361134 /nfs/dbraw/zinc/36/11/34/464361134.db2.gz ZVFGWONLMUETBA-OAHLLOKOSA-N 1 0 349.412 2.190 20 5 EEBDRO CCCC[N@H+](CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264553380 464369953 /nfs/dbraw/zinc/36/99/53/464369953.db2.gz KAHHSSGSNGQRHO-HNNXBMFYSA-N 1 0 326.393 2.083 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000271773878 464380142 /nfs/dbraw/zinc/38/01/42/464380142.db2.gz JDDPIZILMKPSJN-MWLCHTKSSA-N 1 0 342.758 2.296 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000174246942 464383281 /nfs/dbraw/zinc/38/32/81/464383281.db2.gz MAOMVITUSWWJBW-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000237823689 464384868 /nfs/dbraw/zinc/38/48/68/464384868.db2.gz VAESSSRWRWTJQK-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264594334 464387326 /nfs/dbraw/zinc/38/73/26/464387326.db2.gz WSJLGEBRHKOJTG-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000281257410 464389735 /nfs/dbraw/zinc/38/97/35/464389735.db2.gz VGFFTJXDDKCJSP-KRWDZBQOSA-N 1 0 335.404 2.340 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000293357121 464401813 /nfs/dbraw/zinc/40/18/13/464401813.db2.gz ZQQLODPFEJJHPF-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO CSc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294230813 464438931 /nfs/dbraw/zinc/43/89/31/464438931.db2.gz AQONBOGYFGQAFK-GFCCVEGCSA-N 1 0 349.416 2.073 20 5 EEBDRO CCC[N@H+](CCO)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272237617 464531159 /nfs/dbraw/zinc/53/11/59/464531159.db2.gz FVWBLOYGEWYEAL-UHFFFAOYSA-N 1 0 348.346 2.452 20 5 EEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2)CC1 ZINC000294672515 464570832 /nfs/dbraw/zinc/57/08/32/464570832.db2.gz XFFXMPBSYCTCOZ-UHFFFAOYSA-N 1 0 348.447 2.208 20 5 EEBDRO CCCC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000182140731 464581683 /nfs/dbraw/zinc/58/16/83/464581683.db2.gz GQSWVPKSBWSEJX-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246696137 464612329 /nfs/dbraw/zinc/61/23/29/464612329.db2.gz IVMDIJCMKIQPEW-ZWNOBZJWSA-N 1 0 340.330 2.123 20 5 EEBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182287634 464619810 /nfs/dbraw/zinc/61/98/10/464619810.db2.gz IPUQKLQUPDVAOP-ZFWWWQNUSA-N 1 0 331.372 2.423 20 5 EEBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182287104 464620476 /nfs/dbraw/zinc/62/04/76/464620476.db2.gz IJIYPPHVUVEKAD-ZFWWWQNUSA-N 1 0 331.372 2.423 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285668711 464651600 /nfs/dbraw/zinc/65/16/00/464651600.db2.gz FTNPENBLANFLTM-CABCVRRESA-N 1 0 346.431 2.116 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[C@@H]1CCC[NH2+]1 ZINC000294941275 464656300 /nfs/dbraw/zinc/65/63/00/464656300.db2.gz VIWUEQKLIXBLKD-LBPRGKRZSA-N 1 0 325.796 2.439 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838675 464705175 /nfs/dbraw/zinc/70/51/75/464705175.db2.gz FTJDWMUPVSYPCG-QWHCGFSZSA-N 1 0 342.417 2.049 20 5 EEBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1C ZINC000176192859 464716292 /nfs/dbraw/zinc/71/62/92/464716292.db2.gz DZKDNYGLJRUJQZ-UHFFFAOYSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244410 464728955 /nfs/dbraw/zinc/72/89/55/464728955.db2.gz HRZQRCFRBCAGCO-HZPDHXFCSA-N 1 0 335.452 2.378 20 5 EEBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000182831784 464736628 /nfs/dbraw/zinc/73/66/28/464736628.db2.gz QJCZRTDVKNLDIJ-CABCVRRESA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285977062 464762298 /nfs/dbraw/zinc/76/22/98/464762298.db2.gz WXFWFVHZAKFOEH-CABCVRRESA-N 1 0 347.415 2.367 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000282373543 464794012 /nfs/dbraw/zinc/79/40/12/464794012.db2.gz ABEOJGMULRSTPO-GDBMZVCRSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266750733 464808594 /nfs/dbraw/zinc/80/85/94/464808594.db2.gz PRYWAFCQXGYRTC-GUYCJALGSA-N 1 0 330.388 2.378 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000295552989 464879782 /nfs/dbraw/zinc/87/97/82/464879782.db2.gz XEJDEKDUGIWNHG-PXAZEXFGSA-N 1 0 330.388 2.380 20 5 EEBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958926 464885517 /nfs/dbraw/zinc/88/55/17/464885517.db2.gz XEBDVWYRURWUTD-UWWQBHOKSA-N 1 0 344.415 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298737115 465489068 /nfs/dbraw/zinc/48/90/68/465489068.db2.gz NCGXTJBAKCNCSW-OCCSQVGLSA-N 1 0 334.376 2.352 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CC2(OCCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000282761146 464936961 /nfs/dbraw/zinc/93/69/61/464936961.db2.gz OGFJGVJAVWSIHF-AWEZNQCLSA-N 1 0 338.404 2.112 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000295903876 465001106 /nfs/dbraw/zinc/00/11/06/465001106.db2.gz GTRJNTHKIWUVRL-SJORKVTESA-N 1 0 342.399 2.379 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593911155 468430530 /nfs/dbraw/zinc/43/05/30/468430530.db2.gz FEEDZVXQQIGWFO-ZOBUZTSGSA-N 1 0 347.415 2.262 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000356443718 465383241 /nfs/dbraw/zinc/38/32/41/465383241.db2.gz GJOODNBWLPWGST-UHFFFAOYSA-N 1 0 343.387 2.219 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343388420 465513261 /nfs/dbraw/zinc/51/32/61/465513261.db2.gz PRXUYKHLJSGYQE-MRXNPFEDSA-N 1 0 335.404 2.352 20 5 EEBDRO C[C@H]1CSC[C@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000352816610 465559013 /nfs/dbraw/zinc/55/90/13/465559013.db2.gz PPEZAIQXLVSVSC-CMPLNLGQSA-N 1 0 337.401 2.234 20 5 EEBDRO CC(=O)N[C@]1(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC[NH2+]C1 ZINC000356892762 465606190 /nfs/dbraw/zinc/60/61/90/465606190.db2.gz MASQFLNWANAQJL-OAHLLOKOSA-N 1 0 332.385 2.043 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000330506456 465686125 /nfs/dbraw/zinc/68/61/25/465686125.db2.gz HIUAOVFVJWPTRE-JTQLQIEISA-N 1 0 344.209 2.393 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCOc1ccccc1[N+](=O)[O-] ZINC000371293831 465694069 /nfs/dbraw/zinc/69/40/69/465694069.db2.gz HXUMZGBXXLLMQG-IIDMSEBBSA-N 1 0 349.431 2.157 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000299431325 465745880 /nfs/dbraw/zinc/74/58/80/465745880.db2.gz DDILSNIVAZKPOK-AWEZNQCLSA-N 1 0 343.387 2.193 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000591348327 468454922 /nfs/dbraw/zinc/45/49/22/468454922.db2.gz SLMUKUZUVDAQIS-KRWDZBQOSA-N 1 0 340.383 2.281 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331007263 465895600 /nfs/dbraw/zinc/89/56/00/465895600.db2.gz TVUXHXHBRCTRLV-OAHLLOKOSA-N 1 0 345.403 2.417 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000301114811 465905624 /nfs/dbraw/zinc/90/56/24/465905624.db2.gz PDMKUSHVMJWOIS-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345843 466047065 /nfs/dbraw/zinc/04/70/65/466047065.db2.gz RZMSQGYYJZBTOJ-VXGBXAGGSA-N 1 0 335.335 2.219 20 5 EEBDRO CN1CC[NH+](CC2(C)CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000366980673 466052216 /nfs/dbraw/zinc/05/22/16/466052216.db2.gz HUIJRXAQZNWAHE-UHFFFAOYSA-N 1 0 347.463 2.031 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000353771297 466135856 /nfs/dbraw/zinc/13/58/56/466135856.db2.gz BBWNFJKDBRDZDR-LBPRGKRZSA-N 1 0 340.401 2.132 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000357616887 466179876 /nfs/dbraw/zinc/17/98/76/466179876.db2.gz KDZCOIJEZVIKDC-NWDGAFQWSA-N 1 0 332.187 2.421 20 5 EEBDRO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305709903 466432190 /nfs/dbraw/zinc/43/21/90/466432190.db2.gz XFJGMYJLHHEVEM-LBPRGKRZSA-N 1 0 342.758 2.077 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(CO)CC1 ZINC000361980088 466456893 /nfs/dbraw/zinc/45/68/93/466456893.db2.gz GUFMDEQLGTVEAR-HSBZDZAISA-N 1 0 335.404 2.453 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332380064 466535268 /nfs/dbraw/zinc/53/52/68/466535268.db2.gz GHWODJNBWKNQDW-IAGOWNOFSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313334806 466539508 /nfs/dbraw/zinc/53/95/08/466539508.db2.gz BCHDFWQSEJZIQF-QGZVFWFLSA-N 1 0 325.368 2.310 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591685793 468502891 /nfs/dbraw/zinc/50/28/91/468502891.db2.gz OYHSIFMBIDOYJQ-LBPRGKRZSA-N 1 0 343.305 2.486 20 5 EEBDRO COc1ccc(CNc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000373310550 466762446 /nfs/dbraw/zinc/76/24/46/466762446.db2.gz WDBGZPZMFCZRLF-UHFFFAOYSA-N 1 0 345.403 2.679 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375255406 466832030 /nfs/dbraw/zinc/83/20/30/466832030.db2.gz FOFGSFDHCVSHFO-UHFFFAOYSA-N 1 0 348.359 2.109 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411616100 466856518 /nfs/dbraw/zinc/85/65/18/466856518.db2.gz JGBPCYDJKHYJAU-CYBMUJFWSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417714484 466915590 /nfs/dbraw/zinc/91/55/90/466915590.db2.gz HPECYHSVSMNDPO-KGLIPLIRSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000417715304 466916509 /nfs/dbraw/zinc/91/65/09/466916509.db2.gz JSSUMTNMRKSWKN-KBPBESRZSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417719808 466917406 /nfs/dbraw/zinc/91/74/06/466917406.db2.gz QPEXUPVJPVDEJW-KGLIPLIRSA-N 1 0 349.435 2.097 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H]([NH3+])c2ccccc2CC)c1[N+](=O)[O-] ZINC000423975655 466934876 /nfs/dbraw/zinc/93/48/76/466934876.db2.gz LVTLJZGGFIMMMM-ZDUSSCGKSA-N 1 0 345.403 2.263 20 5 EEBDRO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365818715 466949606 /nfs/dbraw/zinc/94/96/06/466949606.db2.gz GOSCKXHEWBMUNO-CHWSQXEVSA-N 1 0 337.424 2.122 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418076620 467039354 /nfs/dbraw/zinc/03/93/54/467039354.db2.gz GRDNBAQYOFKLRX-QLFBSQMISA-N 1 0 332.404 2.091 20 5 EEBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])o1 ZINC000428546469 467245769 /nfs/dbraw/zinc/24/57/69/467245769.db2.gz NBASQRPYTQULFA-ZDUSSCGKSA-N 1 0 331.328 2.007 20 5 EEBDRO [NH3+]C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000420184125 467317535 /nfs/dbraw/zinc/31/75/35/467317535.db2.gz IYYJQHFWKXICQA-CQSZACIVSA-N 1 0 331.376 2.964 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452103281 467323729 /nfs/dbraw/zinc/32/37/29/467323729.db2.gz KDLHTDHSMVLFOY-CYBMUJFWSA-N 1 0 341.433 2.006 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000452111921 467326758 /nfs/dbraw/zinc/32/67/58/467326758.db2.gz WFWGGZSHLRVJNT-HIFRSBDPSA-N 1 0 336.388 2.339 20 5 EEBDRO Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000378510162 467327423 /nfs/dbraw/zinc/32/74/23/467327423.db2.gz CJSNVGAIVXRFAU-UHFFFAOYSA-N 1 0 332.404 2.186 20 5 EEBDRO C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420258024 467332138 /nfs/dbraw/zinc/33/21/38/467332138.db2.gz JMGFYFUNMZZQAW-FZMZJTMJSA-N 1 0 332.404 2.051 20 5 EEBDRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420294869 467341820 /nfs/dbraw/zinc/34/18/20/467341820.db2.gz OTXXGCJFUBVEFE-JTQLQIEISA-N 1 0 340.811 2.246 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420353198 467373764 /nfs/dbraw/zinc/37/37/64/467373764.db2.gz BJMNHFQEHYPHFV-AWEZNQCLSA-N 1 0 334.420 2.339 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000414539414 467419904 /nfs/dbraw/zinc/41/99/04/467419904.db2.gz DJGHSSLVHRGXNZ-RAXLEYEMSA-N 1 0 326.418 2.413 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430542441 467436219 /nfs/dbraw/zinc/43/62/19/467436219.db2.gz KFTVFIDRTLDVBZ-AWEZNQCLSA-N 1 0 333.392 2.450 20 5 EEBDRO C[C@H]1COCCN1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436416144 467534511 /nfs/dbraw/zinc/53/45/11/467534511.db2.gz YNDIMHZLXONOAX-VIFPVBQESA-N 1 0 334.298 2.141 20 5 EEBDRO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441542855 467572933 /nfs/dbraw/zinc/57/29/33/467572933.db2.gz HGVFPNLYZYFUSE-KRWDZBQOSA-N 1 0 332.404 2.310 20 5 EEBDRO C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[NH+]1CCCC1 ZINC000443434739 467580005 /nfs/dbraw/zinc/58/00/05/467580005.db2.gz FISXOPFAWWDGRE-LBPRGKRZSA-N 1 0 331.376 2.789 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448907210 467605285 /nfs/dbraw/zinc/60/52/85/467605285.db2.gz CLOTWWIZNIBLJU-UHFFFAOYSA-N 1 0 345.403 2.399 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449609914 467670768 /nfs/dbraw/zinc/67/07/68/467670768.db2.gz DLIAHSLAIFLBGH-GZMMTYOYSA-N 1 0 333.360 2.174 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449723299 467700445 /nfs/dbraw/zinc/70/04/45/467700445.db2.gz XBXJOUCYFQHIRT-PSASIEDQSA-N 1 0 342.193 2.215 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000458171394 467782564 /nfs/dbraw/zinc/78/25/64/467782564.db2.gz PVSQNNRGQPQRGL-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457443452 467824008 /nfs/dbraw/zinc/82/40/08/467824008.db2.gz AXUPGYMYGMCZLK-UHFFFAOYSA-N 1 0 347.415 2.484 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450340740 467830379 /nfs/dbraw/zinc/83/03/79/467830379.db2.gz XIHOUXKUVKQKIJ-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3CCC[N@H+]3CCCO)ccnc21 ZINC000450598514 467876955 /nfs/dbraw/zinc/87/69/55/467876955.db2.gz QZAVNMCBZSOFHT-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CO2 ZINC000515348236 467986823 /nfs/dbraw/zinc/98/68/23/467986823.db2.gz XISSKCPZTDSCPP-UKRRQHHQSA-N 1 0 344.367 2.366 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488001883 468066166 /nfs/dbraw/zinc/06/61/66/468066166.db2.gz VQCLVVPWMWDKNG-OAHLLOKOSA-N 1 0 334.420 2.114 20 5 EEBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000488761111 468103372 /nfs/dbraw/zinc/10/33/72/468103372.db2.gz FSTNYYYYGPTDDR-TZMCWYRMSA-N 1 0 331.372 2.495 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC(C(F)(F)F)C2)c1 ZINC000518364502 468113316 /nfs/dbraw/zinc/11/33/16/468113316.db2.gz PSRSWUJFJXCWDG-CBINBANVSA-N 1 0 334.294 2.265 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000489398229 468131435 /nfs/dbraw/zinc/13/14/35/468131435.db2.gz XVJMIKJFDYTFJL-INIZCTEOSA-N 1 0 330.388 2.488 20 5 EEBDRO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CC[NH+]1CCCCC1 ZINC000520582051 468260328 /nfs/dbraw/zinc/26/03/28/468260328.db2.gz KZNWICQQWYTGST-UHFFFAOYSA-N 1 0 336.779 2.444 20 5 EEBDRO C[C@H](CCc1cccn1C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744951 468513520 /nfs/dbraw/zinc/51/35/20/468513520.db2.gz ZPUNYGXEENTTAO-GDBMZVCRSA-N 1 0 347.415 2.284 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000594523787 468614571 /nfs/dbraw/zinc/61/45/71/468614571.db2.gz DEZVBZYVRCMGCI-GFCCVEGCSA-N 1 0 346.309 2.158 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592379983 468685872 /nfs/dbraw/zinc/68/58/72/468685872.db2.gz GWNALFWYZOCGHV-CMPLNLGQSA-N 1 0 340.401 2.130 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597854332 468694349 /nfs/dbraw/zinc/69/43/49/468694349.db2.gz GKDJQKYFKDEPSS-JTQLQIEISA-N 1 0 338.383 2.166 20 5 EEBDRO Nc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595222601 468787994 /nfs/dbraw/zinc/78/79/94/468787994.db2.gz QBTYJOLUWIAXIU-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000598220441 468796832 /nfs/dbraw/zinc/79/68/32/468796832.db2.gz PDRPLABTFDOQBO-ZDUSSCGKSA-N 1 0 349.435 2.050 20 5 EEBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601376721 468847535 /nfs/dbraw/zinc/84/75/35/468847535.db2.gz PUCURNWHBZBKKE-UHFFFAOYSA-N 1 0 347.412 2.003 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NCc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595439444 468853845 /nfs/dbraw/zinc/85/38/45/468853845.db2.gz IAALPZHOKMJJRT-JSGCOSHPSA-N 1 0 340.424 2.118 20 5 EEBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572112334 468887696 /nfs/dbraw/zinc/88/76/96/468887696.db2.gz DHPFRCHVTLMLGW-BBRMVZONSA-N 1 0 346.383 2.261 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598587836 468923825 /nfs/dbraw/zinc/92/38/25/468923825.db2.gz DPBPQYXFSCKKLQ-RYUDHWBXSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C1CCCC1 ZINC000584869209 468952119 /nfs/dbraw/zinc/95/21/19/468952119.db2.gz WOTBCSTYBDZFHE-BLLLJJGKSA-N 1 0 335.404 2.453 20 5 EEBDRO COc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1[N+](=O)[O-] ZINC000595806764 469020213 /nfs/dbraw/zinc/02/02/13/469020213.db2.gz FZGJHVGFOSWHKX-UHFFFAOYSA-N 1 0 349.431 2.148 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595832045 469031692 /nfs/dbraw/zinc/03/16/92/469031692.db2.gz OUHZTZJSKOKPKL-CQSZACIVSA-N 1 0 347.415 2.438 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595833116 469032011 /nfs/dbraw/zinc/03/20/11/469032011.db2.gz RQTGEIMMBAGAFF-ZDUSSCGKSA-N 1 0 333.388 2.048 20 5 EEBDRO Cn1cncc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598918254 469047872 /nfs/dbraw/zinc/04/78/72/469047872.db2.gz VQTVTIYQICFRMD-UHFFFAOYSA-N 1 0 326.303 2.262 20 5 EEBDRO Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000602758450 469055331 /nfs/dbraw/zinc/05/53/31/469055331.db2.gz GPQTZRLJGBHCDH-UHFFFAOYSA-N 1 0 348.428 2.498 20 5 EEBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]1(C)CO ZINC000595872625 469056348 /nfs/dbraw/zinc/05/63/48/469056348.db2.gz KEQKEQWTTMBMCF-MEDUHNTESA-N 1 0 332.360 2.095 20 5 EEBDRO C[C@@H]1COCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610991124 469132747 /nfs/dbraw/zinc/13/27/47/469132747.db2.gz KUHWBDKKXCJDNZ-SNVBAGLBSA-N 1 0 327.768 2.298 20 5 EEBDRO CCOc1ccc(NC(=O)CN2CCCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610991106 469132833 /nfs/dbraw/zinc/13/28/33/469132833.db2.gz HCFDMOGFWBBHHD-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([NH2+]CCO)CC3)o2)c1 ZINC000602021641 469149381 /nfs/dbraw/zinc/14/93/81/469149381.db2.gz QUDGSPOHYCIOFC-UHFFFAOYSA-N 1 0 345.399 2.401 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000611091812 469159795 /nfs/dbraw/zinc/15/97/95/469159795.db2.gz TVIVJVQHQXKBLA-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611092523 469159958 /nfs/dbraw/zinc/15/99/58/469159958.db2.gz XKONBBCTVYUNBD-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611092473 469160741 /nfs/dbraw/zinc/16/07/41/469160741.db2.gz VDSCBXMEXKUEHL-OCCSQVGLSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602955154 469188495 /nfs/dbraw/zinc/18/84/95/469188495.db2.gz YGRTWTBWMHHROC-QWHCGFSZSA-N 1 0 335.408 2.057 20 5 EEBDRO CCOc1cc(N2CCC(CO)([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596251802 469221853 /nfs/dbraw/zinc/22/18/53/469221853.db2.gz YOONWMLCRSRDFC-UHFFFAOYSA-N 1 0 337.420 2.323 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000564913760 469263162 /nfs/dbraw/zinc/26/31/62/469263162.db2.gz ZHFMVKIGLDKVEJ-GUYCJALGSA-N 1 0 343.387 2.831 20 5 EEBDRO COc1cc(C[NH2+]CC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520856 469270881 /nfs/dbraw/zinc/27/08/81/469270881.db2.gz DRJCVLDGTBBOAB-UHFFFAOYSA-N 1 0 348.346 2.355 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCn2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000603202047 469307850 /nfs/dbraw/zinc/30/78/50/469307850.db2.gz SIAITVJEFQBEDB-UHFFFAOYSA-N 1 0 345.403 2.294 20 5 EEBDRO CS[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000611713195 469308297 /nfs/dbraw/zinc/30/82/97/469308297.db2.gz ZURIOVIDWAKYPM-ZIAGYGMSSA-N 1 0 333.417 2.020 20 5 EEBDRO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602432963 469313581 /nfs/dbraw/zinc/31/35/81/469313581.db2.gz IVZBEAIYKJXBTD-WCBMZHEXSA-N 1 0 342.193 2.167 20 5 EEBDRO COCC(=O)NC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836028 469324011 /nfs/dbraw/zinc/32/40/11/469324011.db2.gz IVESAURVEVAQAQ-GXDHUFHOSA-N 1 0 347.415 2.225 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000602546202 469355704 /nfs/dbraw/zinc/35/57/04/469355704.db2.gz GZUBNMAEJYPQRX-AWEZNQCLSA-N 1 0 348.321 2.491 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000602554476 469359129 /nfs/dbraw/zinc/35/91/29/469359129.db2.gz YXNOPHSUNDTVQB-CJNGLKHVSA-N 1 0 334.420 2.099 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CSCC[NH2+]1 ZINC000603418604 469389281 /nfs/dbraw/zinc/38/92/81/469389281.db2.gz HLROQEJKLXNTAL-MRVPVSSYSA-N 1 0 332.223 2.474 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000618935274 469475452 /nfs/dbraw/zinc/47/54/52/469475452.db2.gz CMUDMSKZCDVEKJ-JSGCOSHPSA-N 1 0 343.387 2.101 20 5 EEBDRO COC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000613779189 469789759 /nfs/dbraw/zinc/78/97/59/469789759.db2.gz CXGLASLINURBMP-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000614185470 469874108 /nfs/dbraw/zinc/87/41/08/469874108.db2.gz SNEVKDOLTORFQU-ZDUSSCGKSA-N 1 0 345.403 2.020 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430596821 485704675 /nfs/dbraw/zinc/70/46/75/485704675.db2.gz POQZGSNEXZOAQC-WBMJQRKESA-N 1 0 334.420 2.291 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171692332 527734542 /nfs/dbraw/zinc/73/45/42/527734542.db2.gz OCNICPMRUOGZFM-CYBMUJFWSA-N 1 0 334.420 2.384 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000174652603 527974797 /nfs/dbraw/zinc/97/47/97/527974797.db2.gz MKIMCFHEKMPUDA-UHFFFAOYSA-N 1 0 338.364 2.273 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424053 528607269 /nfs/dbraw/zinc/60/72/69/528607269.db2.gz MTOFKXCGFRGSSO-BLLLJJGKSA-N 1 0 326.393 2.432 20 5 EEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191644682 528622173 /nfs/dbraw/zinc/62/21/73/528622173.db2.gz FOQDYEZDMRELDV-KRWDZBQOSA-N 1 0 335.404 2.067 20 5 EEBDRO CC(C)(O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000426774174 535299662 /nfs/dbraw/zinc/29/96/62/535299662.db2.gz STMDJRRQYCJCPK-UHFFFAOYSA-N 1 0 349.387 2.128 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451782740 535546011 /nfs/dbraw/zinc/54/60/11/535546011.db2.gz LCMHYSFEUHWVQL-NEPJUHHUSA-N 1 0 332.360 2.293 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738081066 577998672 /nfs/dbraw/zinc/99/86/72/577998672.db2.gz KEPKMSPFPGVUPA-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000734004957 577269793 /nfs/dbraw/zinc/26/97/93/577269793.db2.gz NMSMLZNGPCVPTF-SFHVURJKSA-N 1 0 344.367 2.363 20 5 EEBDRO C[C@H](CC[S@@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773045964 577312150 /nfs/dbraw/zinc/31/21/50/577312150.db2.gz ZTYVHMZYIQBPNY-JCQPUDPBSA-N 1 0 339.461 2.310 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588134 577463543 /nfs/dbraw/zinc/46/35/43/577463543.db2.gz LBRPDBNIOVZZEN-YJBOKZPZSA-N 1 0 333.432 2.292 20 5 EEBDRO CCC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766432687 577519280 /nfs/dbraw/zinc/51/92/80/577519280.db2.gz UYKLKRPKXOSUDY-CQSZACIVSA-N 1 0 347.419 2.180 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC(C(F)F)C2)cc1 ZINC000769553588 577580420 /nfs/dbraw/zinc/58/04/20/577580420.db2.gz IRIFZARDJSLCMI-UHFFFAOYSA-N 1 0 334.344 2.002 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1OC ZINC000761509910 577685148 /nfs/dbraw/zinc/68/51/48/577685148.db2.gz BJSNNZHZOCQLIS-RCCFBDPRSA-N 1 0 349.431 2.346 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000755921220 577834401 /nfs/dbraw/zinc/83/44/01/577834401.db2.gz IRNDHSPCMCCOKS-MLGOLLRUSA-N 1 0 344.371 2.157 20 5 EEBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000744439639 577897845 /nfs/dbraw/zinc/89/78/45/577897845.db2.gz BGDKBGORUQHQSH-QWHCGFSZSA-N 1 0 346.387 2.441 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000749639753 577979327 /nfs/dbraw/zinc/97/93/27/577979327.db2.gz QNMOJYNXOALIJC-HNNXBMFYSA-N 1 0 330.340 2.189 20 5 EEBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000824956525 607449642 /nfs/dbraw/zinc/44/96/42/607449642.db2.gz SOIQJGAORHULMP-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=C(CC1=CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020552058 675091174 /nfs/dbraw/zinc/09/11/74/675091174.db2.gz WLYQHSQJSVTNSY-WKILWMFISA-N 1 0 345.399 2.068 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000121060420 675965802 /nfs/dbraw/zinc/96/58/02/675965802.db2.gz PBAORBOXFVRXNC-MRXNPFEDSA-N 1 0 339.355 2.450 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001021774010 676433880 /nfs/dbraw/zinc/43/38/80/676433880.db2.gz HKWAIWXYEXPUMX-GASCZTMLSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001021927969 676549632 /nfs/dbraw/zinc/54/96/32/676549632.db2.gz KDHKXXVJUGJYHE-OKILXGFUSA-N 1 0 346.412 2.410 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCC3CC3)c2)CC1 ZINC000934041606 677766589 /nfs/dbraw/zinc/76/65/89/677766589.db2.gz FCIFQJNMMXWUOG-UHFFFAOYSA-N 1 0 347.419 2.268 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022875823 678694711 /nfs/dbraw/zinc/69/47/11/678694711.db2.gz KYRMUSITCWONMJ-TXEJJXNPSA-N 1 0 335.385 2.229 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCOCC1 ZINC000982989260 681617751 /nfs/dbraw/zinc/61/77/51/681617751.db2.gz ZWMCRZRLKZEDSC-KOMQPUFPSA-N 1 0 347.415 2.006 20 5 EEBDRO Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000892536547 681626729 /nfs/dbraw/zinc/62/67/29/681626729.db2.gz HGUWBLUISMIHDE-KRWDZBQOSA-N 1 0 332.404 2.188 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000984947818 685570450 /nfs/dbraw/zinc/57/04/50/685570450.db2.gz WOXCSJUZVNJXIM-AULYBMBSSA-N 1 0 349.412 2.476 20 5 EEBDRO COCC[NH+]1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892724098 682921050 /nfs/dbraw/zinc/92/10/50/682921050.db2.gz OZVWKLQLJZEMJZ-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO CCOc1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892797610 683065535 /nfs/dbraw/zinc/06/55/35/683065535.db2.gz QANRQYCCHFURKF-QGZVFWFLSA-N 1 0 333.388 2.208 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)co1 ZINC001025755476 683265122 /nfs/dbraw/zinc/26/51/22/683265122.db2.gz GVRHCIPGQMGEAV-FVQHAEBGSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245028 684369108 /nfs/dbraw/zinc/36/91/08/684369108.db2.gz CKDYKRYVCHNNFP-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000905247331 694578096 /nfs/dbraw/zinc/57/80/96/694578096.db2.gz OHVYWAMZKNHTEQ-UHFFFAOYSA-N 1 0 340.548 2.311 20 5 EEBDRO CN(C(=O)c1ncc[nH]1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005367145 1195287963 /nfs/dbraw/zinc/28/79/63/1195287963.db2.gz QSFFMYQNHOFNDH-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005381344 1195313576 /nfs/dbraw/zinc/31/35/76/1195313576.db2.gz JFNKKPTZDOZTLR-HZPDHXFCSA-N 1 0 335.448 2.155 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001005378017 1195331837 /nfs/dbraw/zinc/33/18/37/1195331837.db2.gz HTCGCHLXCVJCMN-HEAXLZMOSA-N 1 0 343.427 2.288 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001005379549 1195337147 /nfs/dbraw/zinc/33/71/47/1195337147.db2.gz VEVVLYLBLNXMKA-IAGOWNOFSA-N 1 0 349.406 2.244 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000872090083 1198044984 /nfs/dbraw/zinc/04/49/84/1198044984.db2.gz LIWFIMMDBODCDQ-DGCLKSJQSA-N 1 0 325.434 2.034 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825568486 1198276979 /nfs/dbraw/zinc/27/69/79/1198276979.db2.gz RGNIRBCBQMZOGM-LLVKDONJSA-N 1 0 340.399 2.260 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC(N2CC[C@@H](O)C2)C1 ZINC000865899500 1198418139 /nfs/dbraw/zinc/41/81/39/1198418139.db2.gz FNOCXRCPCABAFA-SECBINFHSA-N 1 0 332.187 2.157 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(C2CC2)on1 ZINC001132000676 1199187300 /nfs/dbraw/zinc/18/73/00/1199187300.db2.gz MWSBLPILGZICQQ-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO O=C(CCC1CCOCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134725310 1199772596 /nfs/dbraw/zinc/77/25/96/1199772596.db2.gz AMBDOVYMVICYIZ-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877346313 1199909264 /nfs/dbraw/zinc/90/92/64/1199909264.db2.gz QZYZSVNLUKKNBC-CQSZACIVSA-N 1 0 341.367 2.048 20 5 EEBDRO COC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000880041115 1201360693 /nfs/dbraw/zinc/36/06/93/1201360693.db2.gz HAAGDRHUEWVODF-BBRMVZONSA-N 1 0 336.388 2.293 20 5 EEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866336982 1201495554 /nfs/dbraw/zinc/49/55/54/1201495554.db2.gz HXUUDJZIMNLILL-HZUKXOBISA-N 1 0 326.368 2.449 20 5 EEBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000866803095 1201609469 /nfs/dbraw/zinc/60/94/69/1201609469.db2.gz BLXGVKXTQIIBMJ-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000867850726 1201693528 /nfs/dbraw/zinc/69/35/28/1201693528.db2.gz IVKGNJPLMTWTEQ-UHFFFAOYSA-N 1 0 335.379 2.267 20 5 EEBDRO CS[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000882200408 1201829922 /nfs/dbraw/zinc/82/99/22/1201829922.db2.gz HYTLAXGVTZXDAZ-RYUDHWBXSA-N 1 0 326.397 2.145 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000131351709 1202037505 /nfs/dbraw/zinc/03/75/05/1202037505.db2.gz KYFRLZBJHIVARI-CQSZACIVSA-N 1 0 329.404 2.320 20 5 EEBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000886478430 1202513775 /nfs/dbraw/zinc/51/37/75/1202513775.db2.gz WOUVWGXIHOADSA-CHWSQXEVSA-N 1 0 327.768 2.032 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000925891040 1206164640 /nfs/dbraw/zinc/16/46/40/1206164640.db2.gz NCFGRZZJYUHILP-MRXNPFEDSA-N 1 0 334.376 2.353 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932279085 1207574406 /nfs/dbraw/zinc/57/44/06/1207574406.db2.gz UOLNXAWXFVUOJF-OLMNPRSZSA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778295886 1208081531 /nfs/dbraw/zinc/08/15/31/1208081531.db2.gz XKHZTXKUJGUGKB-LLVKDONJSA-N 1 0 327.331 2.145 20 5 EEBDRO CN(CCc1nccs1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157171669 1208369582 /nfs/dbraw/zinc/36/95/82/1208369582.db2.gz NEKCCGXZMKDKBK-UHFFFAOYSA-N 1 0 344.400 2.442 20 5 EEBDRO CC(C)C(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001111313011 1210175610 /nfs/dbraw/zinc/17/56/10/1210175610.db2.gz INSPZGOBVFVMLG-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000420399233 1217529228 /nfs/dbraw/zinc/52/92/28/1217529228.db2.gz HRCFAAWWUMBMEI-DYVFJYSZSA-N 1 0 332.404 2.058 20 5 EEBDRO COC[C@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000112960287 1226369541 /nfs/dbraw/zinc/36/95/41/1226369541.db2.gz RXHSYEQUGIXBMZ-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139656 1229505425 /nfs/dbraw/zinc/50/54/25/1229505425.db2.gz KIWRIPLZIFKKIK-AAVRWANBSA-N 1 0 339.342 2.026 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001039485495 1230650963 /nfs/dbraw/zinc/65/09/63/1230650963.db2.gz BBERHBUAWPMDFA-IAGOWNOFSA-N 1 0 335.448 2.155 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900287876 1234163856 /nfs/dbraw/zinc/16/38/56/1234163856.db2.gz OIAPITNGWBNYNR-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326081 1243351802 /nfs/dbraw/zinc/35/18/02/1243351802.db2.gz QSQMUDGKAPXJGJ-DNNBLBMLSA-N 1 0 349.406 2.256 20 5 EEBDRO CCN(CCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1[N+](=O)[O-] ZINC001100763687 1259230239 /nfs/dbraw/zinc/23/02/39/1259230239.db2.gz MGOAZVATHHTDNW-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000721069367 1277782248 /nfs/dbraw/zinc/78/22/48/1277782248.db2.gz ZBXFCCPYGPWEOF-RKDXNWHRSA-N 1 0 329.198 2.410 20 5 EEBDRO [NH3+]CCCCCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763099 1293910674 /nfs/dbraw/zinc/91/06/74/1293910674.db2.gz PMUZDGADDWYKDK-UHFFFAOYSA-N 1 0 331.319 2.202 20 5 EEBDRO Cc1ncc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1[N+](=O)[O-] ZINC001213212274 1295941247 /nfs/dbraw/zinc/94/12/47/1295941247.db2.gz MBJUBBWDZNNPON-UHFFFAOYSA-N 1 0 338.327 2.056 20 5 EEBDRO CCOC(=O)c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217978828 1297540878 /nfs/dbraw/zinc/54/08/78/1297540878.db2.gz RHQWDUJWTPHMMD-FZMZJTMJSA-N 1 0 326.324 2.240 20 5 EEBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001217994313 1297544531 /nfs/dbraw/zinc/54/45/31/1297544531.db2.gz ZEUFSZADYOZTAV-VXNVDRBHSA-N 1 0 335.282 2.481 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CCC[C@]23CC[NH2+]C3)[nH]1 ZINC001218096154 1297570967 /nfs/dbraw/zinc/57/09/67/1297570967.db2.gz STPKECWQZYTDKJ-CZUORRHYSA-N 1 0 330.344 2.155 20 5 EEBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1CCC[NH2+]C1 ZINC001218283092 1297621806 /nfs/dbraw/zinc/62/18/06/1297621806.db2.gz FALKAIKCVGHDGR-QMMMGPOBSA-N 1 0 348.140 2.330 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001101858945 1299951270 /nfs/dbraw/zinc/95/12/70/1299951270.db2.gz KWDKFAVPDRJLNZ-UHFFFAOYSA-N 1 0 339.355 2.427 20 5 EEBDRO O=c1[nH]cnc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228143893 1302123676 /nfs/dbraw/zinc/12/36/76/1302123676.db2.gz QXCRYVZMVWJYOX-ZDUSSCGKSA-N 1 0 330.344 2.134 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[O-] ZINC001228811000 1302462202 /nfs/dbraw/zinc/46/22/02/1302462202.db2.gz MHWVBSBGVOGXPD-URLYPYJESA-N 1 0 336.344 2.091 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140617 1302639261 /nfs/dbraw/zinc/63/92/61/1302639261.db2.gz FMWNOCRPBVYVJF-GFCCVEGCSA-N 1 0 345.193 2.457 20 5 EEBDRO CC(C)c1cc2c(ncnc2OC(=O)C[C@@H](O)C[N+](C)(C)C)s1 ZINC001233813943 1304603113 /nfs/dbraw/zinc/60/31/13/1304603113.db2.gz HTTIZSKOZPFPSF-LLVKDONJSA-N 1 0 338.453 2.177 20 5 EEBDRO [NH3+]CC1([C@@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001122279041 1310254494 /nfs/dbraw/zinc/25/44/94/1310254494.db2.gz QXTVXFUDCGCEET-INIZCTEOSA-N 1 0 347.415 2.484 20 5 EEBDRO Cc1nn(CCC(=O)O[C@@H](C)CC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC001123366810 1310538824 /nfs/dbraw/zinc/53/88/24/1310538824.db2.gz KLVMTHSOUCTSKZ-LBPRGKRZSA-N 1 0 338.408 2.216 20 5 EEBDRO [NH3+]Cc1ccccc1Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248207938 1310863537 /nfs/dbraw/zinc/86/35/37/1310863537.db2.gz JHFKFGZNFKFGTR-UHFFFAOYSA-N 1 0 329.291 2.228 20 5 EEBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843088391 1315838971 /nfs/dbraw/zinc/83/89/71/1315838971.db2.gz MZYIDZOUKQZHON-AGIUHOORSA-N 1 0 336.310 2.166 20 5 EEBDRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843092467 1315839998 /nfs/dbraw/zinc/83/99/98/1315839998.db2.gz DDPLGNSLVUNZNM-FUHWJXTLSA-N 1 0 330.384 2.130 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001151441523 1316535965 /nfs/dbraw/zinc/53/59/65/1316535965.db2.gz LJLLIQAPQAIPHF-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155035038 1317427612 /nfs/dbraw/zinc/42/76/12/1317427612.db2.gz ZYCRFDQGDMSAMF-VXGBXAGGSA-N 1 0 336.392 2.214 20 5 EEBDRO Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155102566 1317457798 /nfs/dbraw/zinc/45/77/98/1317457798.db2.gz XYCAXLHRXJFDQR-DGCLKSJQSA-N 1 0 327.388 2.192 20 5 EEBDRO O=C(CC1CCOCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155979172 1317812917 /nfs/dbraw/zinc/81/29/17/1317812917.db2.gz XDBFJJXXDBHIRF-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO COC(=O)[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473866 1318082552 /nfs/dbraw/zinc/08/25/52/1318082552.db2.gz IWNBHVWWTKRXGB-ZDUSSCGKSA-N 1 0 333.388 2.059 20 5 EEBDRO COC(=O)c1cncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546572 1318117589 /nfs/dbraw/zinc/11/75/89/1318117589.db2.gz GYPFBXBHCDZCMX-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)C2 ZINC001254571752 1318126420 /nfs/dbraw/zinc/12/64/20/1318126420.db2.gz BFOPJDBUJNPCJC-NVXWUHKLSA-N 1 0 328.368 2.092 20 5 EEBDRO CC(C)(CC(=O)N1CCCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580303 1318129468 /nfs/dbraw/zinc/12/94/68/1318129468.db2.gz DOUJYEQZPVJACM-OAHLLOKOSA-N 1 0 331.416 2.443 20 5 EEBDRO O=C1CCCN1C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607721 1318141763 /nfs/dbraw/zinc/14/17/63/1318141763.db2.gz MOHJJJYWWJOXEX-QGZVFWFLSA-N 1 0 329.400 2.149 20 5 EEBDRO CSc1nc(Cl)nc(-n2ccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001157443591 1318644531 /nfs/dbraw/zinc/64/45/31/1318644531.db2.gz BDHLAHXSACQHKT-UHFFFAOYSA-N 1 0 325.781 2.197 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](O)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256100991 1318646854 /nfs/dbraw/zinc/64/68/54/1318646854.db2.gz XNKFBJSGVFNZLU-CJNGLKHVSA-N 1 0 349.431 2.417 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001157758712 1318841539 /nfs/dbraw/zinc/84/15/39/1318841539.db2.gz DJIZXAVOHWMBIO-ZDUSSCGKSA-N 1 0 329.316 2.049 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])c2cccnc2)n1 ZINC001157999908 1318965947 /nfs/dbraw/zinc/96/59/47/1318965947.db2.gz DYVQEEPTQOXPGH-UHFFFAOYSA-N 1 0 340.796 2.252 20 5 EEBDRO C[C@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C[C@H](C)[NH2+]1 ZINC001158185929 1319063668 /nfs/dbraw/zinc/06/36/68/1319063668.db2.gz OHNRLLTXAZOJHA-QWRGUYRKSA-N 1 0 331.351 2.378 20 5 EEBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc(OC)c([N+](=O)[O-])cn1 ZINC001160763517 1320260868 /nfs/dbraw/zinc/26/08/68/1320260868.db2.gz CYCGWZHKSDKEEL-UHFFFAOYSA-N 1 0 328.328 2.410 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491900 1320516449 /nfs/dbraw/zinc/51/64/49/1320516449.db2.gz UKYJQPDHOOPIBZ-UHFFFAOYSA-N 1 0 331.351 2.301 20 5 EEBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC001162909286 1320986011 /nfs/dbraw/zinc/98/60/11/1320986011.db2.gz LNSHPSPBEWYPAY-SECBINFHSA-N 1 0 325.328 2.052 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163206606 1321067274 /nfs/dbraw/zinc/06/72/74/1321067274.db2.gz OJNXSPSUIHYJAP-ABAIWWIYSA-N 1 0 334.763 2.397 20 5 EEBDRO C[NH+](C)CC1CCC(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001163301633 1321091300 /nfs/dbraw/zinc/09/13/00/1321091300.db2.gz MPLISLOASCHNSR-UHFFFAOYSA-N 1 0 328.800 2.414 20 5 EEBDRO CCOC(=O)c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163334202 1321100256 /nfs/dbraw/zinc/10/02/56/1321100256.db2.gz VMZLDPPTAYCGCV-SUMWQHHRSA-N 1 0 349.387 2.095 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164213109 1321319639 /nfs/dbraw/zinc/31/96/39/1321319639.db2.gz PAAUWEOKCCWVIX-UHFFFAOYSA-N 1 0 336.436 2.350 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001165144329 1321465168 /nfs/dbraw/zinc/46/51/68/1321465168.db2.gz HWMDMKHPXGOPDU-DTORHVGOSA-N 1 0 332.738 2.186 20 5 EEBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1)[C@@H]1CCOC1 ZINC001165205924 1321472645 /nfs/dbraw/zinc/47/26/45/1321472645.db2.gz YJHDWFJWOKRUFL-GFCCVEGCSA-N 1 0 328.372 2.052 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001165243152 1321481817 /nfs/dbraw/zinc/48/18/17/1321481817.db2.gz HYMRVLOBNMIOPT-UHFFFAOYSA-N 1 0 343.840 2.468 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165270395 1321488263 /nfs/dbraw/zinc/48/82/63/1321488263.db2.gz MLXMFAMFAXDAQG-GFCCVEGCSA-N 1 0 345.325 2.083 20 5 EEBDRO CC(C)Oc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC001165433757 1321525493 /nfs/dbraw/zinc/52/54/93/1321525493.db2.gz KJQKBMCCUFEQNY-NEPJUHHUSA-N 1 0 338.383 2.290 20 5 EEBDRO CN(Cc1ccc(Cl)cc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166677285 1321762541 /nfs/dbraw/zinc/76/25/41/1321762541.db2.gz PATAOHDCOADIAX-UHFFFAOYSA-N 1 0 333.779 2.361 20 5 EEBDRO O=[N+]([O-])c1cnccc1Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001307197865 1331516188 /nfs/dbraw/zinc/51/61/88/1331516188.db2.gz GKJSJFGALIBHHX-MRXNPFEDSA-N 1 0 339.399 2.440 20 5 EEBDRO CC(C)[N@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001319181896 1332661324 /nfs/dbraw/zinc/66/13/24/1332661324.db2.gz RGOXBTCIVONKOA-KRWDZBQOSA-N 1 0 332.404 2.105 20 5 EEBDRO Cc1cc(NCCCC[N@@H+](C)C2CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409205 1351965149 /nfs/dbraw/zinc/96/51/49/1351965149.db2.gz BACBQKPOULBETD-UHFFFAOYSA-N 1 0 345.407 2.370 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001335569865 1336396225 /nfs/dbraw/zinc/39/62/25/1336396225.db2.gz WZVJFFMYTORVMF-REBRKWNGSA-N 1 0 332.404 2.343 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001336724304 1336585915 /nfs/dbraw/zinc/58/59/15/1336585915.db2.gz TUXDZKXWEIEHME-MRXNPFEDSA-N 1 0 346.343 2.238 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC001336800606 1336596998 /nfs/dbraw/zinc/59/69/98/1336596998.db2.gz HRQXTVZUVNTRKD-ZWKOTPCHSA-N 1 0 328.368 2.052 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001337030888 1336633505 /nfs/dbraw/zinc/63/35/05/1336633505.db2.gz XCHUVFYYBZLRBM-IPYPFGDCSA-N 1 0 332.404 2.092 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)OCCO2 ZINC001337033244 1336633827 /nfs/dbraw/zinc/63/38/27/1336633827.db2.gz SBUGOVHYAGCTGI-DOMZBBRYSA-N 1 0 334.372 2.367 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001339266773 1336982980 /nfs/dbraw/zinc/98/29/80/1336982980.db2.gz WEDUNCJICRNARK-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1cccc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC001339546907 1337026482 /nfs/dbraw/zinc/02/64/82/1337026482.db2.gz JRXDEWJTFUUGAI-UHFFFAOYSA-N 1 0 332.448 2.367 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001353391151 1338257806 /nfs/dbraw/zinc/25/78/06/1338257806.db2.gz SBAWLZLLERJLSY-PRHODGIISA-N 1 0 346.309 2.021 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001579642388 1344402391 /nfs/dbraw/zinc/40/23/91/1344402391.db2.gz CWQDLQGPWORHGN-KYOSRNDESA-N 1 0 334.420 2.289 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001589136864 1348964875 /nfs/dbraw/zinc/96/48/75/1348964875.db2.gz UBTLQASPBAQHEC-LLVKDONJSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590259542 1349233847 /nfs/dbraw/zinc/23/38/47/1349233847.db2.gz LCDMXGFESNUJLG-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC001590259676 1349235728 /nfs/dbraw/zinc/23/57/28/1349235728.db2.gz LWXMNDAFVBQVST-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](CC3CC3)CC2)cccc1-c1nn[nH]n1 ZINC001593465593 1349802235 /nfs/dbraw/zinc/80/22/35/1349802235.db2.gz PZPUBSVTTDUKQN-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCCNc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001593476234 1349809262 /nfs/dbraw/zinc/80/92/62/1349809262.db2.gz UUBRAELKMIBVIZ-UHFFFAOYSA-N 1 0 339.359 2.027 20 5 EEBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001603224096 1350665565 /nfs/dbraw/zinc/66/55/65/1350665565.db2.gz SNWKXKWDPHTOGG-OAHLLOKOSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603895462 1350796613 /nfs/dbraw/zinc/79/66/13/1350796613.db2.gz LJGLFLDLPRASQV-NWDGAFQWSA-N 1 0 345.407 2.450 20 5 EEBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001603893742 1350797243 /nfs/dbraw/zinc/79/72/43/1350797243.db2.gz AMVSXJJSFJGPIN-NWDGAFQWSA-N 1 0 345.407 2.450 20 5 EEBDRO Cc1c(C[NH2+][C@@H](C)c2cc(-c3nn[nH]n3)ccn2)cccc1[N+](=O)[O-] ZINC001605488002 1351169663 /nfs/dbraw/zinc/16/96/63/1351169663.db2.gz LLBWBKTUUBLTCT-NSHDSACASA-N 1 0 339.359 2.329 20 5 EEBDRO COC(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001119248515 1371790298 /nfs/dbraw/zinc/79/02/98/1371790298.db2.gz LGLMLGGLSXMLSR-UHFFFAOYSA-N 1 0 337.376 2.138 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000830356325 1372325607 /nfs/dbraw/zinc/32/56/07/1372325607.db2.gz ZJSSTNVMXMGGGU-DLBZAZTESA-N 1 0 334.347 2.481 20 5 EEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341895215 1372935849 /nfs/dbraw/zinc/93/58/49/1372935849.db2.gz ZZZFJERMNHYNDP-FVQBIDKESA-N 1 0 329.400 2.489 20 5 EEBDRO CN(CC(=O)Nc1cccc(OCC[NH3+])c1)c1ccccc1[N+](=O)[O-] ZINC001578437518 1403757113 /nfs/dbraw/zinc/75/71/13/1403757113.db2.gz SFDAUOUBAYLOBO-UHFFFAOYSA-N 1 0 344.371 2.007 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2C1 ZINC001580208025 1403846378 /nfs/dbraw/zinc/84/63/78/1403846378.db2.gz MXTSLYUAHFRORE-SNVBAGLBSA-N 1 0 330.319 2.197 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001592134965 1404002582 /nfs/dbraw/zinc/00/25/82/1404002582.db2.gz DBNLSYZBGXDKCK-LLVKDONJSA-N 1 0 339.359 2.329 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(C2CC2)n[nH]1 ZINC001167252356 757576981 /nfs/dbraw/zinc/57/69/81/757576981.db2.gz BVGBAGQELQXXFP-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO CCCC[NH+](CCCC)CCNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001167732203 765321728 /nfs/dbraw/zinc/32/17/28/765321728.db2.gz RCXLVXJDKGQULI-UHFFFAOYSA-N 1 0 337.424 2.403 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920275796 770649045 /nfs/dbraw/zinc/64/90/45/770649045.db2.gz LKQHZNUHAGUNHH-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001105409021 782917602 /nfs/dbraw/zinc/91/76/02/782917602.db2.gz RCXZPWOIRFTXAJ-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO Cn1cc([C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000846929988 790733731 /nfs/dbraw/zinc/73/37/31/790733731.db2.gz FFKHRVACWJYITI-IAGOWNOFSA-N 1 0 344.415 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000809732606 783314737 /nfs/dbraw/zinc/31/47/37/783314737.db2.gz GMTTWIATJZYWJQ-CYBMUJFWSA-N 1 0 344.293 2.177 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091469449 790936856 /nfs/dbraw/zinc/93/68/56/790936856.db2.gz DAESEHPLWVDQRR-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817907119 785061951 /nfs/dbraw/zinc/06/19/51/785061951.db2.gz KFLIPCKYFNUCOQ-CABCVRRESA-N 1 0 325.796 2.105 20 5 EEBDRO CCn1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000818344380 785247427 /nfs/dbraw/zinc/24/74/27/785247427.db2.gz MSRUYDAYIVPNPS-UHFFFAOYSA-N 1 0 344.419 2.273 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979533 785348582 /nfs/dbraw/zinc/34/85/82/785348582.db2.gz PLLHODGAKZCTKN-WMLDXEAASA-N 1 0 341.367 2.023 20 5 EEBDRO O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819060987 785380929 /nfs/dbraw/zinc/38/09/29/785380929.db2.gz MXVHAXSKMCOFOI-MRXNPFEDSA-N 1 0 329.356 2.007 20 5 EEBDRO CS[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819112473 785430289 /nfs/dbraw/zinc/43/02/89/785430289.db2.gz DXXRMOHAAKYBPF-WCQYABFASA-N 1 0 344.458 2.242 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000819168572 785442757 /nfs/dbraw/zinc/44/27/57/785442757.db2.gz QZCXTKOTSHLRHI-CYBMUJFWSA-N 1 0 344.293 2.177 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000819175879 785447058 /nfs/dbraw/zinc/44/70/58/785447058.db2.gz COEFMYUXQJTFNZ-NUEKZKHPSA-N 1 0 338.429 2.273 20 5 EEBDRO COc1ccc(COCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819204134 785460489 /nfs/dbraw/zinc/46/04/89/785460489.db2.gz PNDLSIRGKHWRDS-SFHVURJKSA-N 1 0 346.383 2.443 20 5 EEBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819236584 785462746 /nfs/dbraw/zinc/46/27/46/785462746.db2.gz KOPGMDSUCMLLPP-BXUZGUMPSA-N 1 0 339.392 2.131 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC12CCCCC2 ZINC000908573742 785539953 /nfs/dbraw/zinc/53/99/53/785539953.db2.gz ONWCRZZERDUIGL-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000820003100 785760747 /nfs/dbraw/zinc/76/07/47/785760747.db2.gz GYADLXLNKUCUOX-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820342675 785879668 /nfs/dbraw/zinc/87/96/68/785879668.db2.gz MXTGRORRZFMLER-BQFCYCMXSA-N 1 0 329.400 2.253 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000821081533 786591101 /nfs/dbraw/zinc/59/11/01/786591101.db2.gz QLIFSENIQJVZRS-OAHLLOKOSA-N 1 0 349.431 2.178 20 5 EEBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822600241 787280397 /nfs/dbraw/zinc/28/03/97/787280397.db2.gz PVSNJLYHVCVDRR-UHFFFAOYSA-N 1 0 335.448 2.455 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000823276288 787651534 /nfs/dbraw/zinc/65/15/34/787651534.db2.gz PPKVTDPRFUSDRF-SMDDNHRTSA-N 1 0 335.429 2.483 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000824726186 788289175 /nfs/dbraw/zinc/28/91/75/788289175.db2.gz IKAYBGXYQRZGDW-GJZGRUSLSA-N 1 0 349.412 2.109 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C ZINC000074136849 788687769 /nfs/dbraw/zinc/68/77/69/788687769.db2.gz XLHMQRACPWBUQO-CQSZACIVSA-N 1 0 336.436 2.367 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000844479688 789131263 /nfs/dbraw/zinc/13/12/63/789131263.db2.gz QFNXSBFNSPFPCV-UONOGXRCSA-N 1 0 349.343 2.134 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780972 789295343 /nfs/dbraw/zinc/29/53/43/789295343.db2.gz XXQMIUGUUDDDHX-ZBFHGGJFSA-N 1 0 329.404 2.318 20 5 EEBDRO O=C(C1=CCOCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000991548880 789398808 /nfs/dbraw/zinc/39/88/08/789398808.db2.gz RXHOSLHNRJXUBI-UHFFFAOYSA-N 1 0 345.399 2.022 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536320 789737228 /nfs/dbraw/zinc/73/72/28/789737228.db2.gz KEOKQUKBIJZHAF-KRWDZBQOSA-N 1 0 332.404 2.060 20 5 EEBDRO COc1cc(C)ccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148461986 792442467 /nfs/dbraw/zinc/44/24/67/792442467.db2.gz XKPGAEYSQTVLLE-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO O=C(NCCCNc1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001094893941 796933102 /nfs/dbraw/zinc/93/31/02/796933102.db2.gz WKZVDJDAXTVHTG-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCN1CCOCC1)CC2 ZINC001172898281 797128119 /nfs/dbraw/zinc/12/81/19/797128119.db2.gz KCVGQDYTTTXRHM-QGZVFWFLSA-N 1 0 333.432 2.154 20 5 EEBDRO O=C1CCCCN1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895795 797147580 /nfs/dbraw/zinc/14/75/80/797147580.db2.gz JBSSARFBCLQLAL-INIZCTEOSA-N 1 0 331.416 2.444 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172913689 797147922 /nfs/dbraw/zinc/14/79/22/797147922.db2.gz UFOSTDDFKTWZQL-NVXWUHKLSA-N 1 0 348.399 2.106 20 5 EEBDRO COCC1C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173014937 797198140 /nfs/dbraw/zinc/19/81/40/797198140.db2.gz WWAHGFXDXDQWHH-UHFFFAOYSA-N 1 0 341.358 2.420 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)c2ccncc2)c1F ZINC001173180444 797278542 /nfs/dbraw/zinc/27/85/42/797278542.db2.gz QUSBEERPELRSCK-ABAIWWIYSA-N 1 0 349.362 2.392 20 5 EEBDRO COCC[NH+](CCOC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184361 797280136 /nfs/dbraw/zinc/28/01/36/797280136.db2.gz LYNZKMFNSYGRMN-GFCCVEGCSA-N 1 0 344.383 2.268 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001095235708 797568902 /nfs/dbraw/zinc/56/89/02/797568902.db2.gz IDXIAUWNNABTNT-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000823484750 798737840 /nfs/dbraw/zinc/73/78/40/798737840.db2.gz XELQPFMDBMBOND-WCQYABFASA-N 1 0 337.424 2.073 20 5 EEBDRO CCOCC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177828060 799117279 /nfs/dbraw/zinc/11/72/79/799117279.db2.gz SPQTUUXORPQSLV-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)/C=C/C1CC1 ZINC001178110400 799271547 /nfs/dbraw/zinc/27/15/47/799271547.db2.gz ZJXWXBJITDKEHK-CMDGGOBGSA-N 1 0 349.435 2.061 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084564 802115618 /nfs/dbraw/zinc/11/56/18/802115618.db2.gz VXUBLEIRUNEIEL-UOAMXJAYSA-N 1 0 343.427 2.214 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc3ccc(C[NH3+])cc32)c1 ZINC001168848653 803482173 /nfs/dbraw/zinc/48/21/73/803482173.db2.gz UKOLLGMHHKAMMA-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](F)C1 ZINC001168969116 803553184 /nfs/dbraw/zinc/55/31/84/803553184.db2.gz CLFKGFZVNYGXLC-XJFOESAGSA-N 1 0 345.415 2.369 20 5 EEBDRO Cc1ccnc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168992326 803559694 /nfs/dbraw/zinc/55/96/94/803559694.db2.gz JJPAKWKRASHRRK-CVEARBPZSA-N 1 0 333.432 2.473 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010126 803570887 /nfs/dbraw/zinc/57/08/87/803570887.db2.gz BJNSAHSDLZKJCM-KBUPBQIOSA-N 1 0 339.436 2.373 20 5 EEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011540 803571485 /nfs/dbraw/zinc/57/14/85/803571485.db2.gz KTZWKGBDSJLFPI-IHRRRGAJSA-N 1 0 327.425 2.373 20 5 EEBDRO COC(=O)c1ccccc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039789 803582616 /nfs/dbraw/zinc/58/26/16/803582616.db2.gz TZGCDILIGKETFO-GJZGRUSLSA-N 1 0 347.415 2.041 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169040263 803583350 /nfs/dbraw/zinc/58/33/50/803583350.db2.gz ZCEUWWBQUIADJI-XJKSGUPXSA-N 1 0 329.404 2.064 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)C1 ZINC001169026417 803591858 /nfs/dbraw/zinc/59/18/58/803591858.db2.gz WSWDPBGKQGFKJE-CVEARBPZSA-N 1 0 343.431 2.384 20 5 EEBDRO O=C1N(CC2CC2)CCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169051993 803595727 /nfs/dbraw/zinc/59/57/27/803595727.db2.gz FGJWZJCNDGGGOQ-CVEARBPZSA-N 1 0 335.448 2.156 20 5 EEBDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054233 803596321 /nfs/dbraw/zinc/59/63/21/803596321.db2.gz KZJVGACDVOXPTB-IMJJTQAJSA-N 1 0 329.400 2.162 20 5 EEBDRO CC1(C)C[C@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C[C@](C)(C[NH3+])C1 ZINC001169140431 803643639 /nfs/dbraw/zinc/64/36/39/803643639.db2.gz GFERQBJTLILOPM-BONVTDFDSA-N 1 0 326.372 2.323 20 5 EEBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673638 807620948 /nfs/dbraw/zinc/62/09/48/807620948.db2.gz WXKHIKFUVYVDQF-LLVKDONJSA-N 1 0 346.362 2.397 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000788965000 807776163 /nfs/dbraw/zinc/77/61/63/807776163.db2.gz FOMZLRNGLGWMEY-LLVKDONJSA-N 1 0 333.344 2.326 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000790910451 808992896 /nfs/dbraw/zinc/99/28/96/808992896.db2.gz APFSAULBJRWXKH-ZJUUUORDSA-N 1 0 343.786 2.481 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)O1 ZINC001170270626 809856744 /nfs/dbraw/zinc/85/67/44/809856744.db2.gz LYWOQZOFZRDKCE-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312184 809885731 /nfs/dbraw/zinc/88/57/31/809885731.db2.gz DLCNROAUKDIFFJ-WBMJQRKESA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3cnn(C)c3C2)c([N+](=O)[O-])c1 ZINC001170352426 809901046 /nfs/dbraw/zinc/90/10/46/809901046.db2.gz NGCPJQBCSVKXST-LBPRGKRZSA-N 1 0 330.388 2.326 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001130976809 812266709 /nfs/dbraw/zinc/26/67/09/812266709.db2.gz JXYXJDGCDXHRIU-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO CC(C)(C)c1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001131209110 812537396 /nfs/dbraw/zinc/53/73/96/812537396.db2.gz GHYGLWMMZAQQCX-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051468195 214094719 /nfs/dbraw/zinc/09/47/19/214094719.db2.gz BRZGPJDOMQMYPX-UHFFFAOYSA-N 1 0 334.401 2.400 20 5 EEBDRO CC[C@@]1(CO)CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187521953 529552372 /nfs/dbraw/zinc/55/23/72/529552372.db2.gz MYXMZKJNMCJLAG-QGZVFWFLSA-N 1 0 338.404 2.467 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000046049994 213776235 /nfs/dbraw/zinc/77/62/35/213776235.db2.gz PYZGBJFQWTXIPQ-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO COc1ccc(OCC[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181461767 234195038 /nfs/dbraw/zinc/19/50/38/234195038.db2.gz UFKCVBIMXPIRJB-BBRMVZONSA-N 1 0 338.404 2.465 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261952312 296027897 /nfs/dbraw/zinc/02/78/97/296027897.db2.gz NHSPXNMMUPZCQG-MWLCHTKSSA-N 1 0 347.824 2.139 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857780 216318904 /nfs/dbraw/zinc/31/89/04/216318904.db2.gz JJCLCELSQOIHKV-CYBMUJFWSA-N 1 0 335.404 2.235 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191340380 239053311 /nfs/dbraw/zinc/05/33/11/239053311.db2.gz MIKKQXUGBVCEER-UHFFFAOYSA-N 1 0 338.408 2.301 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CC2)cc1 ZINC000419353548 239480619 /nfs/dbraw/zinc/48/06/19/239480619.db2.gz LJSIDRLHHHCSEC-PXAZEXFGSA-N 1 0 330.388 2.380 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425058778 241113762 /nfs/dbraw/zinc/11/37/62/241113762.db2.gz PNFJVEDJYCLDOQ-GOEBONIOSA-N 1 0 347.415 2.225 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCC(F)(F)F)n1 ZINC000447536869 242284729 /nfs/dbraw/zinc/28/47/29/242284729.db2.gz QSJNOAJZNMCHSA-QWRGUYRKSA-N 1 0 336.314 2.444 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449700972 242607631 /nfs/dbraw/zinc/60/76/31/242607631.db2.gz BPOBHZKPVYRQNT-ZDUSSCGKSA-N 1 0 325.796 2.295 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451699294 243210471 /nfs/dbraw/zinc/21/04/71/243210471.db2.gz UUEXONUFHOWALS-KBUPBQIOSA-N 1 0 347.415 2.405 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262961796 245270409 /nfs/dbraw/zinc/27/04/09/245270409.db2.gz WQEXTATVTUSNKK-PWSUYJOCSA-N 1 0 341.795 2.274 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491882990 246196070 /nfs/dbraw/zinc/19/60/70/246196070.db2.gz FIXDGHAVYAHLCZ-SREVYHEPSA-N 1 0 347.415 2.177 20 5 EEBDRO CC(C)[N@@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534850 248349627 /nfs/dbraw/zinc/34/96/27/248349627.db2.gz NTTVNWGFBUDOKN-HNNXBMFYSA-N 1 0 336.367 2.202 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000093962721 218258611 /nfs/dbraw/zinc/25/86/11/218258611.db2.gz XUQXCIQENNWGBN-UHFFFAOYSA-N 1 0 337.420 2.218 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c2ccncc21 ZINC000362214935 285125674 /nfs/dbraw/zinc/12/56/74/285125674.db2.gz BBSNMCDKAGXILL-ZDUSSCGKSA-N 1 0 328.372 2.054 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ncccc12 ZINC000267325410 256049319 /nfs/dbraw/zinc/04/93/19/256049319.db2.gz AXFBAKGYQQESCF-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)CCOC)cc1[N+](=O)[O-] ZINC000271175304 256216595 /nfs/dbraw/zinc/21/65/95/256216595.db2.gz UZCXPELLSYYDNI-CYBMUJFWSA-N 1 0 325.409 2.222 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000271065049 256204170 /nfs/dbraw/zinc/20/41/70/256204170.db2.gz WUCFGHSPZYJSKQ-ZDUSSCGKSA-N 1 0 335.404 2.162 20 5 EEBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000273618299 256312496 /nfs/dbraw/zinc/31/24/96/256312496.db2.gz NZUDXQUXXUGADI-JTQLQIEISA-N 1 0 349.420 2.175 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000274072391 256350990 /nfs/dbraw/zinc/35/09/90/256350990.db2.gz RLHDHOVDLYEJBQ-QWRGUYRKSA-N 1 0 338.360 2.139 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000119290162 221287294 /nfs/dbraw/zinc/28/72/94/221287294.db2.gz DVAAOMNDBRILJC-CQSZACIVSA-N 1 0 334.420 2.101 20 5 EEBDRO O=C1OCC[C@@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120770309 142396721 /nfs/dbraw/zinc/39/67/21/142396721.db2.gz PQMYFAMIEWYDDR-ZDUSSCGKSA-N 1 0 334.372 2.391 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000173620849 152182716 /nfs/dbraw/zinc/18/27/16/152182716.db2.gz YQRUEGOOZHAPQB-QGZVFWFLSA-N 1 0 346.431 2.163 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352214707 153008365 /nfs/dbraw/zinc/00/83/65/153008365.db2.gz SZTQJNLCCHDUAS-UHFFFAOYSA-N 1 0 338.408 2.383 20 5 EEBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374322448 154051206 /nfs/dbraw/zinc/05/12/06/154051206.db2.gz DARUNCYQFVLKEX-RDJZCZTQSA-N 1 0 332.448 2.053 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000249004476 160370833 /nfs/dbraw/zinc/37/08/33/160370833.db2.gz HUWXFOMMTLBBAQ-NXHRZFHOSA-N 1 0 344.415 2.153 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249155421 160375792 /nfs/dbraw/zinc/37/57/92/160375792.db2.gz YOXIPKCQGZQWOF-SWLSCSKDSA-N 1 0 349.387 2.054 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000103247707 159274176 /nfs/dbraw/zinc/27/41/76/159274176.db2.gz QVONZEKSXGAOGI-UHFFFAOYSA-N 1 0 346.412 2.496 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246170634 160265714 /nfs/dbraw/zinc/26/57/14/160265714.db2.gz IYELIPYZOUZCJG-CABCVRRESA-N 1 0 346.431 2.340 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411468 160644385 /nfs/dbraw/zinc/64/43/85/160644385.db2.gz NQUTWKYPFQIFJJ-AAEUAGOBSA-N 1 0 343.330 2.334 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341690922 161005404 /nfs/dbraw/zinc/00/54/04/161005404.db2.gz WTVZKGNADPAZRU-BZUAXINKSA-N 1 0 348.447 2.094 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCSCC1 ZINC000342145435 161043387 /nfs/dbraw/zinc/04/33/87/161043387.db2.gz ARTPXIXQWWCTQI-UHFFFAOYSA-N 1 0 339.417 2.151 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCNCC2(F)F)cc1[N+](=O)[O-] ZINC000342644577 161080276 /nfs/dbraw/zinc/08/02/76/161080276.db2.gz BYKBFSLMVFZZHW-JQWIXIFHSA-N 1 0 327.331 2.325 20 5 EEBDRO COCC(=O)N1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344789411 161246124 /nfs/dbraw/zinc/24/61/24/161246124.db2.gz HKKRDJXVTKLIIS-GXDHUFHOSA-N 1 0 347.415 2.225 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000346383604 161368145 /nfs/dbraw/zinc/36/81/45/161368145.db2.gz AGDTZSRJRVQARA-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346565638 161382292 /nfs/dbraw/zinc/38/22/92/161382292.db2.gz GIQFGIOJLAFABT-UHFFFAOYSA-N 1 0 343.387 2.307 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@H]1O ZINC000352668137 162236965 /nfs/dbraw/zinc/23/69/65/162236965.db2.gz PXJRZEZPDQVSCV-QWHCGFSZSA-N 1 0 327.768 2.032 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CO)C1CCCC1 ZINC000352678580 162242250 /nfs/dbraw/zinc/24/22/50/162242250.db2.gz NYNRZWQIHQSKBJ-CQSZACIVSA-N 1 0 349.387 2.034 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000355158998 163097945 /nfs/dbraw/zinc/09/79/45/163097945.db2.gz PFHDYJODIUWJIG-UHFFFAOYSA-N 1 0 344.314 2.282 20 5 EEBDRO CSC1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000355438104 163189773 /nfs/dbraw/zinc/18/97/73/163189773.db2.gz DEAHIBYJPUXXMS-UHFFFAOYSA-N 1 0 337.445 2.081 20 5 EEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000359034091 164042605 /nfs/dbraw/zinc/04/26/05/164042605.db2.gz XOOQREIHCLWJKR-OWCLPIDISA-N 1 0 349.435 2.123 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)s1 ZINC000376297301 167299798 /nfs/dbraw/zinc/29/97/98/167299798.db2.gz YPWZCCCTMXKKQK-NEPJUHHUSA-N 1 0 334.397 2.251 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272233829 268933136 /nfs/dbraw/zinc/93/31/36/268933136.db2.gz VCCFDQFFSQRFFM-SUMWQHHRSA-N 1 0 346.431 2.263 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275155620 269098947 /nfs/dbraw/zinc/09/89/47/269098947.db2.gz YXGABFWNEBWFDY-LLVKDONJSA-N 1 0 331.294 2.095 20 5 EEBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1O ZINC000275533181 269122105 /nfs/dbraw/zinc/12/21/05/269122105.db2.gz XKAAIHCIRLNLRG-AWEZNQCLSA-N 1 0 339.367 2.155 20 5 EEBDRO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000275600956 269129358 /nfs/dbraw/zinc/12/93/58/269129358.db2.gz SEFIOCNRBAARDE-LLVKDONJSA-N 1 0 341.383 2.024 20 5 EEBDRO CCN1CC[NH+](C[C@H](C)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278435139 269231496 /nfs/dbraw/zinc/23/14/96/269231496.db2.gz PYKJEPFKUZSLOY-CQSZACIVSA-N 1 0 347.463 2.248 20 5 EEBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279066568 269260534 /nfs/dbraw/zinc/26/05/34/269260534.db2.gz ACSLRYKSSBKKIH-ZFWWWQNUSA-N 1 0 347.415 2.109 20 5 EEBDRO C[C@H]1CCSCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279361289 269274200 /nfs/dbraw/zinc/27/42/00/269274200.db2.gz WIQBEDBLVSBFCW-JSGCOSHPSA-N 1 0 326.418 2.162 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922542 269558432 /nfs/dbraw/zinc/55/84/32/269558432.db2.gz CGQBVRPOYGYRSL-SWLSCSKDSA-N 1 0 326.418 2.460 20 5 EEBDRO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272750025 274180680 /nfs/dbraw/zinc/18/06/80/274180680.db2.gz NJJQPFZTIMTLPG-ZDUSSCGKSA-N 1 0 332.404 2.087 20 5 EEBDRO C[C@@H](CO)[N@@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450471230 274228049 /nfs/dbraw/zinc/22/80/49/274228049.db2.gz CHSGWAKMWPDZIC-ZDUSSCGKSA-N 1 0 330.388 2.036 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000275775167 274265473 /nfs/dbraw/zinc/26/54/73/274265473.db2.gz HQGGFKINHZYEMZ-HOCLYGCPSA-N 1 0 326.368 2.390 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000277933429 274325172 /nfs/dbraw/zinc/32/51/72/274325172.db2.gz KAWCIGWIMLMLEJ-ABAIWWIYSA-N 1 0 345.403 2.302 20 5 EEBDRO CC[NH+]1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278397350 274351414 /nfs/dbraw/zinc/35/14/14/274351414.db2.gz MPDDSYAMTJZFDH-UHFFFAOYSA-N 1 0 347.341 2.058 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285755309 274787110 /nfs/dbraw/zinc/78/71/10/274787110.db2.gz ZBFJFIDAYYDZGC-KEYYUXOJSA-N 1 0 346.431 2.480 20 5 EEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000286224942 274850073 /nfs/dbraw/zinc/85/00/73/274850073.db2.gz CTKOQPAIHJIPDV-HOTGVXAUSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000287296263 274952067 /nfs/dbraw/zinc/95/20/67/274952067.db2.gz ZXRIETHNTOHZRW-QMMMGPOBSA-N 1 0 345.197 2.429 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288397893 275054242 /nfs/dbraw/zinc/05/42/42/275054242.db2.gz MQLUUEPCGFPNBQ-STQMWFEESA-N 1 0 333.388 2.302 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000288540057 275068377 /nfs/dbraw/zinc/06/83/77/275068377.db2.gz KURSSSPCADETKR-GUYCJALGSA-N 1 0 330.340 2.188 20 5 EEBDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087133779 276116355 /nfs/dbraw/zinc/11/63/55/276116355.db2.gz ZQTDOQKSOPFPSD-CYBMUJFWSA-N 1 0 334.420 2.393 20 5 EEBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344878583 277238345 /nfs/dbraw/zinc/23/83/45/277238345.db2.gz FNOUDSSXJBQEOL-GFCCVEGCSA-N 1 0 344.371 2.358 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264620840 279237086 /nfs/dbraw/zinc/23/70/86/279237086.db2.gz RMGLWSREPOGXQH-HUUCEWRRSA-N 1 0 346.431 2.482 20 5 EEBDRO CC[NH2+]CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000151339561 279505015 /nfs/dbraw/zinc/50/50/15/279505015.db2.gz VKIMFIHVFVKEEX-ZDUSSCGKSA-N 1 0 334.420 2.170 20 5 EEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000419344883 288179352 /nfs/dbraw/zinc/17/93/52/288179352.db2.gz SMPRDBHBHUJTQU-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343421554 281013467 /nfs/dbraw/zinc/01/34/67/281013467.db2.gz CVWRWHXPCDYPBN-HZPDHXFCSA-N 1 0 332.448 2.365 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1 ZINC000282575534 292834909 /nfs/dbraw/zinc/83/49/09/292834909.db2.gz FSGMUKTVBJMIIJ-UHFFFAOYSA-N 1 0 348.424 2.342 20 5 EEBDRO CCc1ccc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293178472 293144600 /nfs/dbraw/zinc/14/46/00/293144600.db2.gz DKYHHRNUFAXCLN-WMZOPIPTSA-N 1 0 344.415 2.204 20 5 EEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294163001 293385997 /nfs/dbraw/zinc/38/59/97/293385997.db2.gz WBFWFGPMSSKDDQ-MRXNPFEDSA-N 1 0 330.388 2.342 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294314997 293422188 /nfs/dbraw/zinc/42/21/88/293422188.db2.gz SAYZUWIEOAMKOI-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296649846 294030749 /nfs/dbraw/zinc/03/07/49/294030749.db2.gz XHOWUMAOXRJHBP-UHFFFAOYSA-N 1 0 327.388 2.058 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000296874226 294090290 /nfs/dbraw/zinc/09/02/90/294090290.db2.gz AMKXHETZBUTKAD-SECBINFHSA-N 1 0 331.294 2.425 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(CCCO)C1)CCC2 ZINC000297324899 294212248 /nfs/dbraw/zinc/21/22/48/294212248.db2.gz NOFULKAGLIRQPN-MAUKXSAKSA-N 1 0 333.432 2.409 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000297782177 294339680 /nfs/dbraw/zinc/33/96/80/294339680.db2.gz NJJYXDAIMNUOQC-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO Cc1cccnc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090554354 302247100 /nfs/dbraw/zinc/24/71/00/302247100.db2.gz NGNMTGFNPHYGLN-MRXNPFEDSA-N 1 0 330.388 2.447 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332488970 312014846 /nfs/dbraw/zinc/01/48/46/312014846.db2.gz ODHCXERDXVXJES-GDBMZVCRSA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000346058068 312271807 /nfs/dbraw/zinc/27/18/07/312271807.db2.gz APUSDRMRUOBGQT-GOEBONIOSA-N 1 0 348.447 2.141 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356428783 312397145 /nfs/dbraw/zinc/39/71/45/312397145.db2.gz PLHQDMCMRQDOHM-UHFFFAOYSA-N 1 0 345.403 2.052 20 5 EEBDRO Cc1cc(N2CC[C@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413518900 312879312 /nfs/dbraw/zinc/87/93/12/312879312.db2.gz RBRACVXDUJWKSO-LBPRGKRZSA-N 1 0 328.372 2.366 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413814113 312924132 /nfs/dbraw/zinc/92/41/32/312924132.db2.gz FMMUWMIIGPJANZ-LSDHHAIUSA-N 1 0 343.387 2.095 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000414655267 313056983 /nfs/dbraw/zinc/05/69/83/313056983.db2.gz KISYESMPHGOCAR-UHFFFAOYSA-N 1 0 334.376 2.211 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414951817 313113865 /nfs/dbraw/zinc/11/38/65/313113865.db2.gz QEORACCJMBRJKE-LLVKDONJSA-N 1 0 344.318 2.458 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414953916 313114493 /nfs/dbraw/zinc/11/44/93/313114493.db2.gz SBBATXRZOAXQBN-MRVPVSSYSA-N 1 0 330.291 2.022 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415768422 313182074 /nfs/dbraw/zinc/18/20/74/313182074.db2.gz VMGYSHIAEAEGRQ-YGRLFVJLSA-N 1 0 336.392 2.392 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418397723 313803795 /nfs/dbraw/zinc/80/37/95/313803795.db2.gz JPDWKBAWAOTVGR-GOEBONIOSA-N 1 0 332.404 2.221 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421010129 314023981 /nfs/dbraw/zinc/02/39/81/314023981.db2.gz FUDPLUOSBYZQCB-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441605979 315188930 /nfs/dbraw/zinc/18/89/30/315188930.db2.gz XFXYONUAUWRZEK-CHWSQXEVSA-N 1 0 334.420 2.156 20 5 EEBDRO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186353 315429116 /nfs/dbraw/zinc/42/91/16/315429116.db2.gz OTTNRWNVFZDMAT-JSGCOSHPSA-N 1 0 345.403 2.388 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc([N+](=O)[O-])c1 ZINC000522000146 316944994 /nfs/dbraw/zinc/94/49/94/316944994.db2.gz KBVFHSGHYDNBNI-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000524341888 317014080 /nfs/dbraw/zinc/01/40/80/317014080.db2.gz NIUVGKODDJQUPA-INIZCTEOSA-N 1 0 332.404 2.365 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000539295491 318053495 /nfs/dbraw/zinc/05/34/95/318053495.db2.gz OPYDIZXDXAFJBA-NOLJZWGESA-N 1 0 335.404 2.190 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CCCCC2)c2c(c1)COCO2 ZINC000541051631 318091605 /nfs/dbraw/zinc/09/16/05/318091605.db2.gz RATUCBRXVNMQKO-MRXNPFEDSA-N 1 0 336.388 2.492 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000547738968 318317489 /nfs/dbraw/zinc/31/74/89/318317489.db2.gz BANREOLNTYDITM-INIZCTEOSA-N 1 0 349.431 2.383 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000563715060 319039017 /nfs/dbraw/zinc/03/90/17/319039017.db2.gz WXWPFTQUQGTNEI-JOCQHMNTSA-N 1 0 335.404 2.488 20 5 EEBDRO O=C(CC[NH2+]C[C@H]1CCC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564975132 319134377 /nfs/dbraw/zinc/13/43/77/319134377.db2.gz MJZJAHJWDFSOBY-UONOGXRCSA-N 1 0 335.404 2.312 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]Cc2ccccc21 ZINC000574568335 320036635 /nfs/dbraw/zinc/03/66/35/320036635.db2.gz JIMSVRMYZIOLPM-OAHLLOKOSA-N 1 0 340.383 2.010 20 5 EEBDRO Cc1cc(C[C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000577386586 320253159 /nfs/dbraw/zinc/25/31/59/320253159.db2.gz QIMPOLQEPWQBTM-LLVKDONJSA-N 1 0 331.376 2.176 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000182280870 323370714 /nfs/dbraw/zinc/37/07/14/323370714.db2.gz SQXTYTIPFNSBOA-HOCLYGCPSA-N 1 0 333.388 2.031 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611699353 449387111 /nfs/dbraw/zinc/38/71/11/449387111.db2.gz APPHAPSUCFXBGQ-AWEZNQCLSA-N 1 0 345.403 2.307 20 5 EEBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264524 465135349 /nfs/dbraw/zinc/13/53/49/465135349.db2.gz YLYDTGXEIYGKOI-GOEBONIOSA-N 1 0 338.404 2.081 20 5 EEBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296419846 465187809 /nfs/dbraw/zinc/18/78/09/465187809.db2.gz VMVCSKRGLDXCPR-QAPCUYQASA-N 1 0 347.415 2.277 20 5 EEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000339389307 465240861 /nfs/dbraw/zinc/24/08/61/465240861.db2.gz BYFCSXVUECHMQF-GFCCVEGCSA-N 1 0 343.347 2.271 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000351662455 465279711 /nfs/dbraw/zinc/27/97/11/465279711.db2.gz YDYZOCURWBPUIK-KFWWJZLASA-N 1 0 349.431 2.456 20 5 EEBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000358767683 465310561 /nfs/dbraw/zinc/31/05/61/465310561.db2.gz ZGKHBVQCFBNTKT-HNNXBMFYSA-N 1 0 342.399 2.328 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000062283475 462613271 /nfs/dbraw/zinc/61/32/71/462613271.db2.gz XDBBIMOHHFUBLB-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000590703699 468312771 /nfs/dbraw/zinc/31/27/71/468312771.db2.gz VUVGDGRXLLYWMW-GFCCVEGCSA-N 1 0 327.388 2.459 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000007964249 462760546 /nfs/dbraw/zinc/76/05/46/462760546.db2.gz ZNOUXMVVONXPMV-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000091458928 462881095 /nfs/dbraw/zinc/88/10/95/462881095.db2.gz LTDMKSIKCSVVSV-FRRDWIJNSA-N 1 0 332.408 2.416 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000156132580 462982913 /nfs/dbraw/zinc/98/29/13/462982913.db2.gz NVZHBGRXEWPGKR-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1CC[NH2+]CC1 ZINC000120530720 463009234 /nfs/dbraw/zinc/00/92/34/463009234.db2.gz ANNJRXNYHWFSRQ-UHFFFAOYSA-N 1 0 349.434 2.271 20 5 EEBDRO Cc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000024085750 463078298 /nfs/dbraw/zinc/07/82/98/463078298.db2.gz VBBRQKBUOVTVCR-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000121223399 463099606 /nfs/dbraw/zinc/09/96/06/463099606.db2.gz LVIJUCLMNXPNKO-UHFFFAOYSA-N 1 0 333.344 2.058 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078424850 463116056 /nfs/dbraw/zinc/11/60/56/463116056.db2.gz FERWBXQMGWOHBN-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccncc1 ZINC000121530098 463150960 /nfs/dbraw/zinc/15/09/60/463150960.db2.gz QLFOKYUSTYPMFB-CYBMUJFWSA-N 1 0 328.372 2.491 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000027970960 463212219 /nfs/dbraw/zinc/21/22/19/463212219.db2.gz MGGFKSWCJNRXHJ-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000070671158 463377982 /nfs/dbraw/zinc/37/79/82/463377982.db2.gz NGJXBFUAQGGWII-UHFFFAOYSA-N 1 0 325.434 2.391 20 5 EEBDRO O=C(CC1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160916949 463381659 /nfs/dbraw/zinc/38/16/59/463381659.db2.gz FPHWHELHHHQTKU-UHFFFAOYSA-N 1 0 347.415 2.354 20 5 EEBDRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196728 463384278 /nfs/dbraw/zinc/38/42/78/463384278.db2.gz YUFZUULMSBCUMM-RYUDHWBXSA-N 1 0 336.392 2.116 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000161118853 463400979 /nfs/dbraw/zinc/40/09/79/463400979.db2.gz BGUWJVWBIRYMHU-GHMZBOCLSA-N 1 0 337.376 2.002 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000124799328 463465494 /nfs/dbraw/zinc/46/54/94/463465494.db2.gz GXLAXYVDHOANAP-OAHLLOKOSA-N 1 0 331.416 2.390 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162312444 463500103 /nfs/dbraw/zinc/50/01/03/463500103.db2.gz PADAJDSPYOVAEZ-DLOVCJGASA-N 1 0 341.795 2.402 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000125660029 463566980 /nfs/dbraw/zinc/56/69/80/463566980.db2.gz KVXCWKKQKRXRJB-GFCCVEGCSA-N 1 0 340.383 2.357 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[N@H+](C)C1 ZINC000152359337 463680464 /nfs/dbraw/zinc/68/04/64/463680464.db2.gz PBNCVAFNHPFSKC-ZDUSSCGKSA-N 1 0 335.404 2.235 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152381911 463682872 /nfs/dbraw/zinc/68/28/72/463682872.db2.gz YRHWBPSJCXHEFL-AWEZNQCLSA-N 1 0 334.420 2.115 20 5 EEBDRO CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276707552 463726891 /nfs/dbraw/zinc/72/68/91/463726891.db2.gz JPIOZWYBPWRAIR-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283398815 463872390 /nfs/dbraw/zinc/87/23/90/463872390.db2.gz VABIMJDEQXZSDQ-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269113376 463879672 /nfs/dbraw/zinc/87/96/72/463879672.db2.gz YHFDGWLOKZOOTK-GXTWGEPZSA-N 1 0 348.403 2.087 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000269209290 463910572 /nfs/dbraw/zinc/91/05/72/463910572.db2.gz OVVVGDPYYUCXJR-UONOGXRCSA-N 1 0 346.431 2.313 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171853040 463936965 /nfs/dbraw/zinc/93/69/65/463936965.db2.gz CVAPBJIPGKREJV-CQSZACIVSA-N 1 0 349.435 2.180 20 5 EEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269340230 463958651 /nfs/dbraw/zinc/95/86/51/463958651.db2.gz FUVDFGOOGPELEO-CYBMUJFWSA-N 1 0 330.388 2.200 20 5 EEBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000262175739 463964011 /nfs/dbraw/zinc/96/40/11/463964011.db2.gz IFETZXIBXJOOJR-OAHLLOKOSA-N 1 0 328.372 2.272 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000278762935 463982088 /nfs/dbraw/zinc/98/20/88/463982088.db2.gz NTSQCJLUDCPATQ-LLVKDONJSA-N 1 0 340.811 2.333 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000269440174 463985712 /nfs/dbraw/zinc/98/57/12/463985712.db2.gz PFQMXVCEWUKRRQ-LBPRGKRZSA-N 1 0 335.408 2.142 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC12CCC[NH+]1CCC2 ZINC000287797574 464004391 /nfs/dbraw/zinc/00/43/91/464004391.db2.gz PBRFBYBLPZCLJK-UHFFFAOYSA-N 1 0 339.417 2.039 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000269558898 464019347 /nfs/dbraw/zinc/01/93/47/464019347.db2.gz ZVADAQMVOYPKCF-GFCCVEGCSA-N 1 0 337.424 2.388 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000179030721 464040217 /nfs/dbraw/zinc/04/02/17/464040217.db2.gz LNPPTAWVUBFBGG-UHFFFAOYSA-N 1 0 345.403 2.497 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590971882 468387637 /nfs/dbraw/zinc/38/76/37/468387637.db2.gz SFMWMHQOZVRATN-CYBMUJFWSA-N 1 0 329.356 2.471 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922536 464042669 /nfs/dbraw/zinc/04/26/69/464042669.db2.gz CGQBVRPOYGYRSL-IUODEOHRSA-N 1 0 326.418 2.460 20 5 EEBDRO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643059 464044586 /nfs/dbraw/zinc/04/45/86/464044586.db2.gz JTPHYUHAOMIKIN-PBHICJAKSA-N 1 0 349.431 2.257 20 5 EEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000269681750 464057003 /nfs/dbraw/zinc/05/70/03/464057003.db2.gz ILCLHFGWALOVSB-GFCCVEGCSA-N 1 0 330.392 2.361 20 5 EEBDRO COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000591016553 468392782 /nfs/dbraw/zinc/39/27/82/468392782.db2.gz AOFYHFDCMBKYEN-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO COc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269964110 464141365 /nfs/dbraw/zinc/14/13/65/464141365.db2.gz VYDWDBFNNDWSLQ-RDJZCZTQSA-N 1 0 346.383 2.178 20 5 EEBDRO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000263697406 464157482 /nfs/dbraw/zinc/15/74/82/464157482.db2.gz SRAZHQUMXSYWHN-LBPRGKRZSA-N 1 0 337.424 2.265 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000284424881 464186655 /nfs/dbraw/zinc/18/66/55/464186655.db2.gz OXTRISZEABWKPL-VXGBXAGGSA-N 1 0 333.388 2.349 20 5 EEBDRO NC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000270577834 464261185 /nfs/dbraw/zinc/26/11/85/464261185.db2.gz CFFJLSZIAZMOSS-AWEZNQCLSA-N 1 0 337.379 2.189 20 5 EEBDRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173450884 464263763 /nfs/dbraw/zinc/26/37/63/464263763.db2.gz UTOBGAOFLWPOEV-GFCCVEGCSA-N 1 0 329.356 2.310 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237477223 464326641 /nfs/dbraw/zinc/32/66/41/464326641.db2.gz DXYOSUWYOMOZDT-MNOVXSKESA-N 1 0 341.795 2.213 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180544675 464333496 /nfs/dbraw/zinc/33/34/96/464333496.db2.gz YHBQKGXSBORSDR-TXEJJXNPSA-N 1 0 349.435 2.058 20 5 EEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180697842 464372228 /nfs/dbraw/zinc/37/22/28/464372228.db2.gz WUKFCIZKMHPZTK-GFCCVEGCSA-N 1 0 334.420 2.417 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264584505 464384579 /nfs/dbraw/zinc/38/45/79/464384579.db2.gz KGQNNKYIUOCUED-JTQLQIEISA-N 1 0 342.783 2.090 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)cc1 ZINC000237988797 464415325 /nfs/dbraw/zinc/41/53/25/464415325.db2.gz XAZSRNGKLSYOCM-UHFFFAOYSA-N 1 0 331.372 2.277 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000281484936 464474261 /nfs/dbraw/zinc/47/42/61/464474261.db2.gz HCMUEKRLVIVLCW-AWEZNQCLSA-N 1 0 347.415 2.439 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000265358943 464530275 /nfs/dbraw/zinc/53/02/75/464530275.db2.gz ZFOHGBCLMJKHHP-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO CC[N@H+](CCCO)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272322084 464564430 /nfs/dbraw/zinc/56/44/30/464564430.db2.gz UONBOTYBHHEHMU-UHFFFAOYSA-N 1 0 348.346 2.452 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265508207 464584969 /nfs/dbraw/zinc/58/49/69/464584969.db2.gz QRVLRGZHCTYDQA-UONOGXRCSA-N 1 0 334.420 2.195 20 5 EEBDRO CC(C)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285613636 464627704 /nfs/dbraw/zinc/62/77/04/464627704.db2.gz DDJRDNFDZZNUSS-IRXDYDNUSA-N 1 0 347.415 2.263 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000285634463 464636969 /nfs/dbraw/zinc/63/69/69/464636969.db2.gz XKFDJDWSWHYQAM-ZDUSSCGKSA-N 1 0 338.433 2.426 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265838674 464704765 /nfs/dbraw/zinc/70/47/65/464704765.db2.gz FTJDWMUPVSYPCG-OLZOCXBDSA-N 1 0 342.417 2.049 20 5 EEBDRO Cc1cc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286197617 464835538 /nfs/dbraw/zinc/83/55/38/464835538.db2.gz LYDQEXAHRMJPDH-YIONKMFJSA-N 1 0 347.415 2.366 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128761 464937646 /nfs/dbraw/zinc/93/76/46/464937646.db2.gz UMRKFYMETWLOFH-GXSJLCMTSA-N 1 0 348.359 2.166 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CCOC(C)C)CC1 ZINC000192644695 464966471 /nfs/dbraw/zinc/96/64/71/464966471.db2.gz HGVPRCSOHUBVBX-UHFFFAOYSA-N 1 0 339.440 2.421 20 5 EEBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000554600012 468428461 /nfs/dbraw/zinc/42/84/61/468428461.db2.gz QZLFRTQHHPKKRE-LBPRGKRZSA-N 1 0 337.424 2.388 20 5 EEBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875947 464993990 /nfs/dbraw/zinc/99/39/90/464993990.db2.gz FXYNOJNKURMVBW-XJKSGUPXSA-N 1 0 338.404 2.081 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000192777792 464994246 /nfs/dbraw/zinc/99/42/46/464994246.db2.gz QLLQANQWYJGLTH-OCCSQVGLSA-N 1 0 333.388 2.160 20 5 EEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000359551107 465449515 /nfs/dbraw/zinc/44/95/15/465449515.db2.gz ZFNVNQRMJFFENQ-ZYHUDNBSSA-N 1 0 348.359 2.148 20 5 EEBDRO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343579301 465529807 /nfs/dbraw/zinc/52/98/07/465529807.db2.gz KFZNTNJAJMZVSB-KBXCAEBGSA-N 1 0 342.399 2.464 20 5 EEBDRO CNc1c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000360943865 465652210 /nfs/dbraw/zinc/65/22/10/465652210.db2.gz KDXFHIMOSUSJKR-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330606214 465728009 /nfs/dbraw/zinc/72/80/09/465728009.db2.gz ZTQYBSDSVHMJGL-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccccn1 ZINC000361047018 465728673 /nfs/dbraw/zinc/72/86/73/465728673.db2.gz VERLOKDDGRLHHY-UHFFFAOYSA-N 1 0 332.408 2.083 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330606217 465729124 /nfs/dbraw/zinc/72/91/24/465729124.db2.gz ZTQYBSDSVHMJGL-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000361077220 465748876 /nfs/dbraw/zinc/74/88/76/465748876.db2.gz AEZRJBXJMKZWQU-JSGCOSHPSA-N 1 0 335.429 2.435 20 5 EEBDRO C[C@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000338062125 465791487 /nfs/dbraw/zinc/79/14/87/465791487.db2.gz GEEPOXNVWICSNL-XJKSGUPXSA-N 1 0 334.420 2.261 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000591348328 468455023 /nfs/dbraw/zinc/45/50/23/468455023.db2.gz SLMUKUZUVDAQIS-QGZVFWFLSA-N 1 0 340.383 2.281 20 5 EEBDRO Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000348998166 465913198 /nfs/dbraw/zinc/91/31/98/465913198.db2.gz KPWOUMBBHDCERZ-ZDUSSCGKSA-N 1 0 326.356 2.367 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362738777 465990271 /nfs/dbraw/zinc/99/02/71/465990271.db2.gz XGXIATYTHQCYTC-GFCCVEGCSA-N 1 0 331.376 2.931 20 5 EEBDRO COc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346258673 466035893 /nfs/dbraw/zinc/03/58/93/466035893.db2.gz IQOHHUKRDYWKMP-VNHYZAJKSA-N 1 0 347.415 2.406 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000361497720 466048257 /nfs/dbraw/zinc/04/82/57/466048257.db2.gz QGNZDQDZBANZRE-ZDUSSCGKSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279196 466055055 /nfs/dbraw/zinc/05/50/55/466055055.db2.gz VENKWGRQLWVALA-LZWOXQAQSA-N 1 0 347.415 2.162 20 5 EEBDRO CCc1n[nH]c(C(=O)N(CC)CC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000346300384 466074866 /nfs/dbraw/zinc/07/48/66/466074866.db2.gz QDEZQFFVSLYWAJ-UHFFFAOYSA-N 1 0 337.424 2.218 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000340527656 466153210 /nfs/dbraw/zinc/15/32/10/466153210.db2.gz UQFFDCMURYVJOK-UHFFFAOYSA-N 1 0 336.436 2.077 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363018359 466178709 /nfs/dbraw/zinc/17/87/09/466178709.db2.gz STFCMXDQNDUVFO-NWDGAFQWSA-N 1 0 334.376 2.352 20 5 EEBDRO Cc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000304340418 466286792 /nfs/dbraw/zinc/28/67/92/466286792.db2.gz PLHGYLNKHSRSJA-AWEZNQCLSA-N 1 0 338.433 2.433 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000372327767 466304823 /nfs/dbraw/zinc/30/48/23/466304823.db2.gz XYQMJRXIHUAPQO-OLZOCXBDSA-N 1 0 340.383 2.500 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577698 468486551 /nfs/dbraw/zinc/48/65/51/468486551.db2.gz BBABGGYSYCGKDM-GDBMZVCRSA-N 1 0 329.404 2.149 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000362073487 466531819 /nfs/dbraw/zinc/53/18/19/466531819.db2.gz XBGFILVXYLJPNG-MNDBLIDSSA-N 1 0 341.433 2.011 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000314215845 466547516 /nfs/dbraw/zinc/54/75/16/466547516.db2.gz CNVLEPHTOXGITI-UHFFFAOYSA-N 1 0 349.840 2.223 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347315468 466559049 /nfs/dbraw/zinc/55/90/49/466559049.db2.gz PXKQGIHNDLHGPH-PBHICJAKSA-N 1 0 346.431 2.400 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591677313 468501378 /nfs/dbraw/zinc/50/13/78/468501378.db2.gz IOEPBYJOUFNCAF-JTQLQIEISA-N 1 0 342.193 2.229 20 5 EEBDRO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000347417021 466621654 /nfs/dbraw/zinc/62/16/54/466621654.db2.gz CVYHBBHUPHVKGD-MGPQQGTHSA-N 1 0 347.415 2.446 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000368575812 466674446 /nfs/dbraw/zinc/67/44/46/466674446.db2.gz JUCJVNBECJRGLX-UHFFFAOYSA-N 1 0 346.431 2.407 20 5 EEBDRO COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423605632 466782734 /nfs/dbraw/zinc/78/27/34/466782734.db2.gz HDENMRJUZPUHBS-LSDHHAIUSA-N 1 0 341.367 2.170 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126040 466786795 /nfs/dbraw/zinc/78/67/95/466786795.db2.gz CIFFCJXLPCRHLI-YUDUHTQSSA-N 1 0 332.404 2.425 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000373462112 466811609 /nfs/dbraw/zinc/81/16/09/466811609.db2.gz YGERPJFVBWNYPJ-GDBMZVCRSA-N 1 0 343.431 2.329 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417729489 466918602 /nfs/dbraw/zinc/91/86/02/466918602.db2.gz QHQRTRPWZNGMBY-GOSISDBHSA-N 1 0 346.431 2.313 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000423968588 466931427 /nfs/dbraw/zinc/93/14/27/466931427.db2.gz UXGWMJRTDLJFBH-MRXNPFEDSA-N 1 0 343.387 2.028 20 5 EEBDRO COc1ccc(CSCC(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424044052 466961771 /nfs/dbraw/zinc/96/17/71/466961771.db2.gz CZLONHUVSDFLNQ-UHFFFAOYSA-N 1 0 341.433 2.080 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997830 467017170 /nfs/dbraw/zinc/01/71/70/467017170.db2.gz ULTANRUCWIFXRH-CYBMUJFWSA-N 1 0 340.811 2.184 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418310026 467091230 /nfs/dbraw/zinc/09/12/30/467091230.db2.gz DBYKXFRGMIWESC-GDBMZVCRSA-N 1 0 346.431 2.483 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1[NH+]1CCOCC1 ZINC000413183915 467185699 /nfs/dbraw/zinc/18/56/99/467185699.db2.gz WJKFKVVAGCMGRM-DYVFJYSZSA-N 1 0 342.399 2.300 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000428041631 467197674 /nfs/dbraw/zinc/19/76/74/467197674.db2.gz RAHIBNDWYVAKMJ-GOEBONIOSA-N 1 0 342.399 2.476 20 5 EEBDRO CN(c1c([N+](=O)[O-])ncn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450950807 467213242 /nfs/dbraw/zinc/21/32/42/467213242.db2.gz OCZWMBSFXBLOAZ-UHFFFAOYSA-N 1 0 335.330 2.181 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451942961 467290127 /nfs/dbraw/zinc/29/01/27/467290127.db2.gz USNIPSYIIMINPE-UHFFFAOYSA-N 1 0 330.388 2.210 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429300226 467322527 /nfs/dbraw/zinc/32/25/27/467322527.db2.gz HPUCBLWABQXQHV-CYBMUJFWSA-N 1 0 344.367 2.445 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334476 467363927 /nfs/dbraw/zinc/36/39/27/467363927.db2.gz GMSBXMWOZSZGGH-HIFRSBDPSA-N 1 0 346.431 2.386 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000420440785 467409279 /nfs/dbraw/zinc/40/92/79/467409279.db2.gz HORNSCRQUYYAAM-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930115 467519162 /nfs/dbraw/zinc/51/91/62/467519162.db2.gz BUXGLCIPOYBMFM-JSGCOSHPSA-N 1 0 335.404 2.182 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000454600868 467603541 /nfs/dbraw/zinc/60/35/41/467603541.db2.gz HDWYXCBBSDBKHX-DUVNUKRYSA-N 1 0 332.404 2.310 20 5 EEBDRO CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449069375 467616246 /nfs/dbraw/zinc/61/62/46/467616246.db2.gz GCKSOXIMPOSELC-CRAIPNDOSA-N 1 0 335.448 2.472 20 5 EEBDRO C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449585544 467666453 /nfs/dbraw/zinc/66/64/53/467666453.db2.gz GHCQTECUSPRZSS-JGVFFNPUSA-N 1 0 335.282 2.001 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449605589 467670045 /nfs/dbraw/zinc/67/00/45/467670045.db2.gz NRCQTXBRGANLEN-QMMMGPOBSA-N 1 0 335.282 2.003 20 5 EEBDRO COc1ccc(C[N@H+](CCO)C2CCSCC2)cc1[N+](=O)[O-] ZINC000449682076 467687804 /nfs/dbraw/zinc/68/78/04/467687804.db2.gz GPBUMIKECAZGOO-UHFFFAOYSA-N 1 0 326.418 2.293 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449723302 467700027 /nfs/dbraw/zinc/70/00/27/467700027.db2.gz XBXJOUCYFQHIRT-WPRPVWTQSA-N 1 0 342.193 2.215 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000457217816 467780008 /nfs/dbraw/zinc/78/00/08/467780008.db2.gz HPDDQYODCCLJHG-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458277005 467802379 /nfs/dbraw/zinc/80/23/79/467802379.db2.gz HZNGAAYUVJQHSQ-UHFFFAOYSA-N 1 0 331.376 2.108 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1CC[NH+](C)CC1 ZINC000450296628 467819897 /nfs/dbraw/zinc/81/98/97/467819897.db2.gz FTSSDYPJSOZWKI-UHFFFAOYSA-N 1 0 330.388 2.327 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+]2CCCO)ccc2ncccc21 ZINC000450596212 467876576 /nfs/dbraw/zinc/87/65/76/467876576.db2.gz NGMNRIFUTREPHZ-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(OC(F)F)c1 ZINC000450790852 467908450 /nfs/dbraw/zinc/90/84/50/467908450.db2.gz KZFLWYMTDYMHTR-TXEJJXNPSA-N 1 0 343.330 2.471 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493675643 467961850 /nfs/dbraw/zinc/96/18/50/467961850.db2.gz RGJLMHFNMQMKKQ-RMKNXTFCSA-N 1 0 347.415 2.177 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000515125303 467974288 /nfs/dbraw/zinc/97/42/88/467974288.db2.gz ZPSHJNUHUFAPRN-ZDUSSCGKSA-N 1 0 333.388 2.016 20 5 EEBDRO CCOc1cc(NC[C@H](C)N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000486929879 468013963 /nfs/dbraw/zinc/01/39/63/468013963.db2.gz PZEGRRRTWDPSIC-AWEZNQCLSA-N 1 0 336.436 2.431 20 5 EEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000494227708 468038064 /nfs/dbraw/zinc/03/80/64/468038064.db2.gz QHHYSWWNEATKSY-ZBEGNZNMSA-N 1 0 335.360 2.050 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494251067 468040166 /nfs/dbraw/zinc/04/01/66/468040166.db2.gz NKQUAWAQJVUULK-USBNGQNGSA-N 1 0 337.376 2.088 20 5 EEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494283035 468042221 /nfs/dbraw/zinc/04/22/21/468042221.db2.gz SEIYFAGHUSSHSO-XPTSAGLGSA-N 1 0 327.768 2.344 20 5 EEBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000519148272 468144499 /nfs/dbraw/zinc/14/44/99/468144499.db2.gz GFBJIAIODQZOQV-UHFFFAOYSA-N 1 0 337.420 2.192 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000590141941 468218574 /nfs/dbraw/zinc/21/85/74/468218574.db2.gz UFHBXWFJBITHOB-QGZVFWFLSA-N 1 0 327.388 2.460 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000590390261 468244699 /nfs/dbraw/zinc/24/46/99/468244699.db2.gz WOKSADNHXHEPSV-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197148 468508288 /nfs/dbraw/zinc/50/82/88/468508288.db2.gz AMDJYUMUWTYNJQ-KBPBESRZSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000591754399 468514938 /nfs/dbraw/zinc/51/49/38/468514938.db2.gz JCERXICLJOEJLU-JTQLQIEISA-N 1 0 334.344 2.146 20 5 EEBDRO CCC1(O)CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591757530 468515320 /nfs/dbraw/zinc/51/53/20/468515320.db2.gz CUDPCWFEAYKJKP-UUCFBXCCSA-N 1 0 338.404 2.008 20 5 EEBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594437349 468586906 /nfs/dbraw/zinc/58/69/06/468586906.db2.gz VQPGPZHSPRATSQ-AEFFLSMTSA-N 1 0 329.400 2.476 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)n2)cc1 ZINC000592356757 468682199 /nfs/dbraw/zinc/68/21/99/468682199.db2.gz IKZUZLMHQLKWIX-GFCCVEGCSA-N 1 0 326.316 2.255 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594801282 468691857 /nfs/dbraw/zinc/69/18/57/468691857.db2.gz MGUQFQVNEZVFEU-LBPRGKRZSA-N 1 0 341.433 2.054 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000583580098 468720182 /nfs/dbraw/zinc/72/01/82/468720182.db2.gz ZSKMWYHQQKGQCP-OAHLLOKOSA-N 1 0 346.383 2.175 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C)([NH3+])CC1 ZINC000592543840 468727316 /nfs/dbraw/zinc/72/73/16/468727316.db2.gz PJKJWYBGZUZHCN-SNVBAGLBSA-N 1 0 341.795 2.355 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000601221723 468787427 /nfs/dbraw/zinc/78/74/27/468787427.db2.gz QKEZRZMNECSDHU-HIFRSBDPSA-N 1 0 342.399 2.421 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598195643 468792231 /nfs/dbraw/zinc/79/22/31/468792231.db2.gz QGEJROBKMOHBKC-HNNXBMFYSA-N 1 0 342.399 2.312 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595260829 468796570 /nfs/dbraw/zinc/79/65/70/468796570.db2.gz MCKGMYPXGCVTPX-NXEZZACHSA-N 1 0 335.257 2.125 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571554662 468805698 /nfs/dbraw/zinc/80/56/98/468805698.db2.gz GSZLUZPBTARTTE-OAHLLOKOSA-N 1 0 348.447 2.373 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598261447 468809878 /nfs/dbraw/zinc/80/98/78/468809878.db2.gz FOTRALRJULNTSX-AWEZNQCLSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598266463 468811617 /nfs/dbraw/zinc/81/16/17/468811617.db2.gz YCPUHQMSYAAKSW-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470374 468866562 /nfs/dbraw/zinc/86/65/62/468866562.db2.gz UQNYSJQBZZYEFE-AWEZNQCLSA-N 1 0 334.420 2.309 20 5 EEBDRO CN(CC[NH+]1CCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593113055 468875820 /nfs/dbraw/zinc/87/58/20/468875820.db2.gz WGWCAWHDHAYXQT-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO COc1ccc(CC(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593189257 468898965 /nfs/dbraw/zinc/89/89/65/468898965.db2.gz ZHNJKQOQJIACDH-FRRDWIJNSA-N 1 0 335.404 2.085 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000593323051 468938508 /nfs/dbraw/zinc/93/85/08/468938508.db2.gz OQEBHLFPJZKOFK-KRWDZBQOSA-N 1 0 343.431 2.397 20 5 EEBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595701169 468960992 /nfs/dbraw/zinc/96/09/92/468960992.db2.gz QVLVPGBAMOHPJO-XJKSGUPXSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000598716208 468971105 /nfs/dbraw/zinc/97/11/05/468971105.db2.gz AKTMBCIYVATBNG-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO CC1(C)CCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602676598 469005134 /nfs/dbraw/zinc/00/51/34/469005134.db2.gz TZBWBQXDDDFNDL-SFHVURJKSA-N 1 0 348.447 2.489 20 5 EEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602678016 469006619 /nfs/dbraw/zinc/00/66/19/469006619.db2.gz ZRNSGQMIJRNOJG-CXAGYDPISA-N 1 0 334.420 2.099 20 5 EEBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(C)C ZINC000602689487 469013009 /nfs/dbraw/zinc/01/30/09/469013009.db2.gz HVJUEKBHDUYNJA-WBVHZDCISA-N 1 0 336.436 2.344 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)o1 ZINC000599007963 469087002 /nfs/dbraw/zinc/08/70/02/469087002.db2.gz FGOMXZXDANDQLJ-CYBMUJFWSA-N 1 0 331.372 2.011 20 5 EEBDRO CCCn1nccc1NC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000602833695 469106233 /nfs/dbraw/zinc/10/62/33/469106233.db2.gz ZQWAJBBLFRPGQM-UHFFFAOYSA-N 1 0 345.403 2.314 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000602835862 469108439 /nfs/dbraw/zinc/10/84/39/469108439.db2.gz JZLYZSXBRCUOAG-UHFFFAOYSA-N 1 0 343.431 2.354 20 5 EEBDRO Cc1nn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000601957036 469112279 /nfs/dbraw/zinc/11/22/79/469112279.db2.gz SVSQACBCAHOFCZ-QGZVFWFLSA-N 1 0 330.388 2.045 20 5 EEBDRO CC1CCC(O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000596057836 469131808 /nfs/dbraw/zinc/13/18/08/469131808.db2.gz CCRGTNGJBWJZKX-UHFFFAOYSA-N 1 0 336.388 2.397 20 5 EEBDRO CCSC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000596065195 469135714 /nfs/dbraw/zinc/13/57/14/469135714.db2.gz GEMNGPNZDFDRLP-LBPRGKRZSA-N 1 0 326.418 2.210 20 5 EEBDRO C[NH+](C)CCOc1ccccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596118069 469164694 /nfs/dbraw/zinc/16/46/94/469164694.db2.gz NRAOARJILFVJHF-UHFFFAOYSA-N 1 0 332.360 2.248 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596123111 469167174 /nfs/dbraw/zinc/16/71/74/469167174.db2.gz OHSSLGUAIFRZBR-SNVBAGLBSA-N 1 0 343.225 2.015 20 5 EEBDRO C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602072400 469174499 /nfs/dbraw/zinc/17/44/99/469174499.db2.gz MMBYNLFLJCHXMF-CYBMUJFWSA-N 1 0 335.404 2.130 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611185062 469187720 /nfs/dbraw/zinc/18/77/20/469187720.db2.gz GDJQFIIQRIYWCT-QGZVFWFLSA-N 1 0 343.383 2.220 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596231801 469214915 /nfs/dbraw/zinc/21/49/15/469214915.db2.gz NIYIODWRMHDIQH-MLGOLLRUSA-N 1 0 329.404 2.984 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000615724214 469305446 /nfs/dbraw/zinc/30/54/46/469305446.db2.gz SPTGUNSKLXMQEB-XYOKQWHBSA-N 1 0 326.418 2.411 20 5 EEBDRO C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599624076 469313870 /nfs/dbraw/zinc/31/38/70/469313870.db2.gz QJOAZASQPONZBJ-WCQYABFASA-N 1 0 330.331 2.454 20 5 EEBDRO CC[NH2+][C@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602437324 469315921 /nfs/dbraw/zinc/31/59/21/469315921.db2.gz HQDAARKQFGOERG-SECBINFHSA-N 1 0 348.325 2.140 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602482091 469335261 /nfs/dbraw/zinc/33/52/61/469335261.db2.gz MKTVTUJMOPYRTO-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3n[nH]cc3C2)n1 ZINC000616008169 469353291 /nfs/dbraw/zinc/35/32/91/469353291.db2.gz VZBBOHVWYNDVCF-BPLDGKMQSA-N 1 0 330.392 2.145 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602542145 469354430 /nfs/dbraw/zinc/35/44/30/469354430.db2.gz ULXDQPMCKJQBCE-DGCLKSJQSA-N 1 0 345.321 2.123 20 5 EEBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]2CCO[C@H]21 ZINC000602553194 469358904 /nfs/dbraw/zinc/35/89/04/469358904.db2.gz AXMCTZZKXPXYHN-USXIJHARSA-N 1 0 346.431 2.362 20 5 EEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000612063855 469382809 /nfs/dbraw/zinc/38/28/09/469382809.db2.gz KDLUOGCHGMLVKR-HNNXBMFYSA-N 1 0 338.404 2.226 20 5 EEBDRO CO[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602605891 469382882 /nfs/dbraw/zinc/38/28/82/469382882.db2.gz URSZJWOVVIONCJ-IUODEOHRSA-N 1 0 328.796 2.432 20 5 EEBDRO CC[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000616866042 469525997 /nfs/dbraw/zinc/52/59/97/469525997.db2.gz JDIGGXFWBZTMSZ-INIZCTEOSA-N 1 0 337.376 2.091 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619439191 469605829 /nfs/dbraw/zinc/60/58/29/469605829.db2.gz SZRDERSUSQFYHG-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000619465659 469616156 /nfs/dbraw/zinc/61/61/56/469616156.db2.gz AZTFIJIPEMACMQ-AWEZNQCLSA-N 1 0 332.360 2.086 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000619491165 469624299 /nfs/dbraw/zinc/62/42/99/469624299.db2.gz OQAFFPBCLLZHGE-QWHCGFSZSA-N 1 0 339.465 2.136 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000619531127 469633456 /nfs/dbraw/zinc/63/34/56/469633456.db2.gz LZRJPBDVADBTGE-KRWDZBQOSA-N 1 0 349.431 2.290 20 5 EEBDRO C[NH2+]C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000629999029 469698362 /nfs/dbraw/zinc/69/83/62/469698362.db2.gz STYIZBDTAZECOJ-UHFFFAOYSA-N 1 0 349.434 2.413 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386308 469924535 /nfs/dbraw/zinc/92/45/35/469924535.db2.gz ONQSWEDLFHBBLL-ZIAGYGMSSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000609631848 469952326 /nfs/dbraw/zinc/95/23/26/469952326.db2.gz DZLDFUUEODFPJU-UHFFFAOYSA-N 1 0 332.404 2.012 20 5 EEBDRO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064479 469977056 /nfs/dbraw/zinc/97/70/56/469977056.db2.gz UBLGSBGWMQVROC-OAHLLOKOSA-N 1 0 331.416 2.473 20 5 EEBDRO CC(C)c1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335359 470005137 /nfs/dbraw/zinc/00/51/37/470005137.db2.gz OQIMKVFOGCQLCK-QGZVFWFLSA-N 1 0 332.404 2.108 20 5 EEBDRO Cc1ccnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000132843321 534402299 /nfs/dbraw/zinc/40/22/99/534402299.db2.gz XSTSMXSIVXEFNY-HUUCEWRRSA-N 1 0 334.420 2.478 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000027676011 522011481 /nfs/dbraw/zinc/01/14/81/522011481.db2.gz YAFMNZONZVEUFJ-ZDUSSCGKSA-N 1 0 349.412 2.454 20 5 EEBDRO CN(C)C(=O)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501248 524014873 /nfs/dbraw/zinc/01/48/73/524014873.db2.gz JCXCYSRSPAOUNP-QGZVFWFLSA-N 1 0 342.399 2.426 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+](C)C ZINC000181876127 528327473 /nfs/dbraw/zinc/32/74/73/528327473.db2.gz DUFWPNPFFDCIJF-LBPRGKRZSA-N 1 0 337.376 2.030 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266068298 536547074 /nfs/dbraw/zinc/54/70/74/536547074.db2.gz DQPNZRNXFOUDJU-UHFFFAOYSA-N 1 0 335.404 2.134 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459778139 535947796 /nfs/dbraw/zinc/94/77/96/535947796.db2.gz PGIZZTSACMDKBZ-YVLXSGLVSA-N 1 0 337.376 2.088 20 5 EEBDRO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580952 577463103 /nfs/dbraw/zinc/46/31/03/577463103.db2.gz APIUVJZKNZAGGD-RHSMWYFYSA-N 1 0 349.431 2.257 20 5 EEBDRO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580951 577463133 /nfs/dbraw/zinc/46/31/33/577463133.db2.gz APIUVJZKNZAGGD-PBHICJAKSA-N 1 0 349.431 2.257 20 5 EEBDRO CCCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000765405596 577500356 /nfs/dbraw/zinc/50/03/56/577500356.db2.gz YFWNUWFYXUJCHC-ZDUSSCGKSA-N 1 0 343.449 2.432 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770394322 577595337 /nfs/dbraw/zinc/59/53/37/577595337.db2.gz HDRMLKSQZSTDCI-AOOOYVTPSA-N 1 0 326.194 2.009 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(OCC[NH+](C)C)CC1 ZINC000747618333 577946938 /nfs/dbraw/zinc/94/69/38/577946938.db2.gz QEIJLRCYKHJLRW-UHFFFAOYSA-N 1 0 337.420 2.288 20 5 EEBDRO CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](CC)CC ZINC000735990329 578176545 /nfs/dbraw/zinc/17/65/45/578176545.db2.gz BISNDNXJULMUGM-QGZVFWFLSA-N 1 0 348.447 2.364 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nccs1 ZINC001020803274 675503217 /nfs/dbraw/zinc/50/32/17/675503217.db2.gz YBQOAWGQVSUARC-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021051702 675694079 /nfs/dbraw/zinc/69/40/79/675694079.db2.gz NBDNIYVPEFHLSH-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO CC1(C)CC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[NH2+]C1 ZINC000891409551 676572764 /nfs/dbraw/zinc/57/27/64/676572764.db2.gz HRWCLEUYHCNQFR-AWEZNQCLSA-N 1 0 334.420 2.215 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000892143521 676910929 /nfs/dbraw/zinc/91/09/29/676910929.db2.gz JCYRVDMJARPUKG-CQSZACIVSA-N 1 0 349.431 2.473 20 5 EEBDRO COC1CC[NH+](C2(CNc3c([N+](=O)[O-])cnn3C)CCCC2)CC1 ZINC000892413996 679741536 /nfs/dbraw/zinc/74/15/36/679741536.db2.gz OJZJGZOKFAPLJZ-UHFFFAOYSA-N 1 0 337.424 2.164 20 5 EEBDRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177920174 681589342 /nfs/dbraw/zinc/58/93/42/681589342.db2.gz RZXAHLSGVDGSJC-UHFFFAOYSA-N 1 0 337.376 2.163 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC000983006185 681644895 /nfs/dbraw/zinc/64/48/95/681644895.db2.gz GFWUYHLBIJFLQW-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000983106898 681806844 /nfs/dbraw/zinc/80/68/44/681806844.db2.gz YLKCMWWFJYHYMR-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025679775 683231918 /nfs/dbraw/zinc/23/19/18/683231918.db2.gz APQZRARVOOZWJB-FOLVSLTJSA-N 1 0 341.367 2.356 20 5 EEBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000904420476 694394010 /nfs/dbraw/zinc/39/40/10/694394010.db2.gz PTBLHAKGQPPGFP-CYBMUJFWSA-N 1 0 336.392 2.054 20 5 EEBDRO O=C(OCc1ccccc1)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905232663 694565583 /nfs/dbraw/zinc/56/55/83/694565583.db2.gz XVXKPSMPIAGXLM-KRWDZBQOSA-N 1 0 328.368 2.380 20 5 EEBDRO C[NH+](C)CCOc1cc(NCC2(F)CCOCC2)ccc1[N+](=O)[O-] ZINC001168125806 1186912025 /nfs/dbraw/zinc/91/20/25/1186912025.db2.gz GZXBFIZARAYDLX-UHFFFAOYSA-N 1 0 341.383 2.466 20 5 EEBDRO CCc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005378139 1195331737 /nfs/dbraw/zinc/33/17/37/1195331737.db2.gz JPHXQWSIPSIJGC-QZTJIDSGSA-N 1 0 345.443 2.337 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC000813618888 1199118223 /nfs/dbraw/zinc/11/82/23/1199118223.db2.gz PLIPQLNOLPLFNO-MRXNPFEDSA-N 1 0 346.362 2.349 20 5 EEBDRO C[NH+](C)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825835470 1199464294 /nfs/dbraw/zinc/46/42/94/1199464294.db2.gz KKIMYXHEZQKNAD-KRWDZBQOSA-N 1 0 349.431 2.351 20 5 EEBDRO Cc1ccc(NCCCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676825 1199718063 /nfs/dbraw/zinc/71/80/63/1199718063.db2.gz ZBBVQMGSNRVGMM-DDJMYBDESA-N 1 0 346.431 2.377 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2ccccn2c1 ZINC001134705143 1199762302 /nfs/dbraw/zinc/76/23/02/1199762302.db2.gz HZUZKESTXDQQOH-UHFFFAOYSA-N 1 0 338.367 2.367 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877347077 1199909986 /nfs/dbraw/zinc/90/99/86/1199909986.db2.gz QGMDOXAOTHHKIV-HNNXBMFYSA-N 1 0 325.368 2.348 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1occc1Cl ZINC001133434183 1200921148 /nfs/dbraw/zinc/92/11/48/1200921148.db2.gz KABRWOYMSDWAIP-UHFFFAOYSA-N 1 0 329.765 2.422 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870950836 1200973971 /nfs/dbraw/zinc/97/39/71/1200973971.db2.gz NWKJTSSWKTZPRM-SFHVURJKSA-N 1 0 348.447 2.102 20 5 EEBDRO CC(C)[C@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[NH+](C)C ZINC000813170994 1201140316 /nfs/dbraw/zinc/14/03/16/1201140316.db2.gz BJHSFQUZRDLVNO-DLBZAZTESA-N 1 0 349.431 2.299 20 5 EEBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866254594 1201477017 /nfs/dbraw/zinc/47/70/17/1201477017.db2.gz STUWYVQAYMCDSW-FZMZJTMJSA-N 1 0 339.367 2.485 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469406 1201704828 /nfs/dbraw/zinc/70/48/28/1201704828.db2.gz KNEMLGVVMYHAPG-LBPRGKRZSA-N 1 0 339.417 2.030 20 5 EEBDRO C[N@H+](CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001095449544 1205769046 /nfs/dbraw/zinc/76/90/46/1205769046.db2.gz GNDOOCYMJCUMHR-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO CN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095691721 1205916149 /nfs/dbraw/zinc/91/61/49/1205916149.db2.gz OOIJQNHEYJXFDP-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CN1CC[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000928555979 1206399072 /nfs/dbraw/zinc/39/90/72/1206399072.db2.gz MDGFGWOISODZFD-ZDUSSCGKSA-N 1 0 326.356 2.091 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934385431 1207952544 /nfs/dbraw/zinc/95/25/44/1207952544.db2.gz LGLGSLNYUXMCBW-IKGGRYGDSA-N 1 0 349.431 2.171 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1C ZINC000246969450 1213458673 /nfs/dbraw/zinc/45/86/73/1213458673.db2.gz PXPYZCVCFKWIQL-PEBVRCNWSA-N 1 0 346.387 2.050 20 5 EEBDRO CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530514 1215185385 /nfs/dbraw/zinc/18/53/85/1215185385.db2.gz BBUTVMSBQDPECM-HUUCEWRRSA-N 1 0 325.453 2.497 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436997 1233745065 /nfs/dbraw/zinc/74/50/65/1233745065.db2.gz ZZMYJVJAEWYDGV-HZPDHXFCSA-N 1 0 331.416 2.131 20 5 EEBDRO CC[NH+]1CCC(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000902294370 1237353303 /nfs/dbraw/zinc/35/33/03/1237353303.db2.gz YFOROMJGLNNMCO-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO Cc1ccc(F)cc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400400 1242197672 /nfs/dbraw/zinc/19/76/72/1242197672.db2.gz RDRMAWBPJNTROU-IAGOWNOFSA-N 1 0 349.406 2.128 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001097052897 1243631734 /nfs/dbraw/zinc/63/17/34/1243631734.db2.gz CWRIHKRCTIZSRU-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CCCCOCC(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001195411632 1283559622 /nfs/dbraw/zinc/55/96/22/1283559622.db2.gz VLXPTFPZDHLAEM-UHFFFAOYSA-N 1 0 349.431 2.446 20 5 EEBDRO CC[C@H](C)[N@H+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852293564 1292078386 /nfs/dbraw/zinc/07/83/86/1292078386.db2.gz OHERXTGBICCJLI-HNNXBMFYSA-N 1 0 348.447 2.364 20 5 EEBDRO COC(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852770368 1292194209 /nfs/dbraw/zinc/19/42/09/1292194209.db2.gz LORZEFYOMKWXNY-UHFFFAOYSA-N 1 0 337.376 2.184 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000853798752 1292458219 /nfs/dbraw/zinc/45/82/19/1292458219.db2.gz KDCQOMOVXSOZOC-VIFPVBQESA-N 1 0 326.353 2.056 20 5 EEBDRO CC[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000857764917 1293910454 /nfs/dbraw/zinc/91/04/54/1293910454.db2.gz DRJOBODYIYWXNA-MFKMUULPSA-N 1 0 343.330 2.152 20 5 EEBDRO C[NH2+][C@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001217950163 1297534857 /nfs/dbraw/zinc/53/48/57/1297534857.db2.gz FHZHMLYROMYMNP-XWEPSHTISA-N 1 0 348.140 2.329 20 5 EEBDRO Cc1nc(O[C@@H]2C[NH2+]CC[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001218042956 1297556333 /nfs/dbraw/zinc/55/63/33/1297556333.db2.gz BNEQGEAOXZBJIK-RDDDGLTNSA-N 1 0 330.182 2.438 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(F)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225666127 1301117312 /nfs/dbraw/zinc/11/73/12/1301117312.db2.gz GPVBPROFZCTYCN-HTTKSJEASA-N 1 0 338.335 2.280 20 5 EEBDRO C[NH+](C)C1CCC(Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)CC1 ZINC001229367582 1302748892 /nfs/dbraw/zinc/74/88/92/1302748892.db2.gz PFVUNBLBYVRIMO-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC001111842141 1303981844 /nfs/dbraw/zinc/98/18/44/1303981844.db2.gz BABBXNJIAJEPNX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO COCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115368597 1304995315 /nfs/dbraw/zinc/99/53/15/1304995315.db2.gz WSHDMPDEDCECFU-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246206067 1310260848 /nfs/dbraw/zinc/26/08/48/1310260848.db2.gz CMMINVSTLVHXQS-ZBFHGGJFSA-N 1 0 349.431 2.101 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]([NH3+])[C@H](F)CC2)c1F ZINC001246566253 1310344648 /nfs/dbraw/zinc/34/46/48/1310344648.db2.gz FMNIZNRNIKTIAU-CYZMBNFOSA-N 1 0 343.374 2.435 20 5 EEBDRO CC[C@H]1C[NH2+]CCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246801466 1310434692 /nfs/dbraw/zinc/43/46/92/1310434692.db2.gz FEFJLROOGBAFFL-RYUDHWBXSA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc(C[C@@H](C)N2CC[NH2+]C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001246986574 1310490549 /nfs/dbraw/zinc/49/05/49/1310490549.db2.gz FCANFKYGROWFGG-YGRLFVJLSA-N 1 0 347.337 2.371 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC001123358749 1310537503 /nfs/dbraw/zinc/53/75/03/1310537503.db2.gz AXJJYEQYCVALPZ-UONOGXRCSA-N 1 0 338.433 2.413 20 5 EEBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162454886 1320860715 /nfs/dbraw/zinc/86/07/15/1320860715.db2.gz BAUXZZLOWIEYCZ-CMPLNLGQSA-N 1 0 336.392 2.132 20 5 EEBDRO CC1([NH3+])CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841856985 1315625459 /nfs/dbraw/zinc/62/54/59/1315625459.db2.gz UWGYZRJULVHUNT-UHFFFAOYSA-N 1 0 326.784 2.271 20 5 EEBDRO COCCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842171553 1315671938 /nfs/dbraw/zinc/67/19/38/1315671938.db2.gz NGPIADOMLVIWGF-UHFFFAOYSA-N 1 0 327.356 2.421 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000842841530 1315783906 /nfs/dbraw/zinc/78/39/06/1315783906.db2.gz QNMAWLGSDMYAPL-ZIAGYGMSSA-N 1 0 330.331 2.157 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCCCC[NH3+])c1 ZINC000842916473 1315798508 /nfs/dbraw/zinc/79/85/08/1315798508.db2.gz POMKNHXVYZRABY-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843075841 1315835795 /nfs/dbraw/zinc/83/57/95/1315835795.db2.gz AVNOGVBGILNQIA-AEFFLSMTSA-N 1 0 330.384 2.130 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCO)Cc2ccccc2)cc1 ZINC000843110779 1315845195 /nfs/dbraw/zinc/84/51/95/1315845195.db2.gz APLPTNHHWVENMN-SJLPKXTDSA-N 1 0 330.384 2.212 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000843454055 1315917614 /nfs/dbraw/zinc/91/76/14/1315917614.db2.gz ILWPDWPUEDRMQL-CYZMBNFOSA-N 1 0 348.359 2.011 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843475390 1315920298 /nfs/dbraw/zinc/92/02/98/1315920298.db2.gz PWQJXRQCZLJREH-UWVGGRQHSA-N 1 0 347.749 2.088 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NCc3noc4c3C[NH2+]CC4)nc21 ZINC001155496855 1317624378 /nfs/dbraw/zinc/62/43/78/1317624378.db2.gz BVAMDELANHKXQM-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252885247 1317711632 /nfs/dbraw/zinc/71/16/32/1317711632.db2.gz GTFONZKTPCAFJV-HNNXBMFYSA-N 1 0 332.404 2.494 20 5 EEBDRO CC(C)[NH+]1CCC(CNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001156501629 1318042539 /nfs/dbraw/zinc/04/25/39/1318042539.db2.gz ZQSOKRBNAHXLMZ-UHFFFAOYSA-N 1 0 328.800 2.414 20 5 EEBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254546336 1318117606 /nfs/dbraw/zinc/11/76/06/1318117606.db2.gz RLLVAERLZKERHN-FVQBIDKESA-N 1 0 349.431 2.189 20 5 EEBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556933 1318120445 /nfs/dbraw/zinc/12/04/45/1318120445.db2.gz NLRXDNPGOQJBQK-MKVSYHDVSA-N 1 0 331.416 2.228 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(S(C)(=O)=O)CC1 ZINC001254562725 1318123052 /nfs/dbraw/zinc/12/30/52/1318123052.db2.gz OZWXMEHKGIUEPZ-GFCCVEGCSA-N 1 0 326.418 2.035 20 5 EEBDRO CC(=O)N1CC[C@@H]([N@@H+](C(C)C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605903 1318142478 /nfs/dbraw/zinc/14/24/78/1318142478.db2.gz CLWBTSIPAMCQNY-QZTJIDSGSA-N 1 0 331.416 2.393 20 5 EEBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612040 1318146039 /nfs/dbraw/zinc/14/60/39/1318146039.db2.gz URGCXCQMYJXVTM-IAGOWNOFSA-N 1 0 340.383 2.314 20 5 EEBDRO COc1cc(N2CCC(n3ccc(C[NH3+])n3)CC2)ccc1[N+](=O)[O-] ZINC001256085486 1318642338 /nfs/dbraw/zinc/64/23/38/1318642338.db2.gz PSUGKLONFBALLS-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C1 ZINC001157689652 1318797529 /nfs/dbraw/zinc/79/75/29/1318797529.db2.gz IGVGPPWIIQQUJD-CHWSQXEVSA-N 1 0 327.388 2.316 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]([NH3+])[C@@H]1C ZINC001157733639 1318825683 /nfs/dbraw/zinc/82/56/83/1318825683.db2.gz RFHDFSVRRJRSIJ-WPRPVWTQSA-N 1 0 342.783 2.136 20 5 EEBDRO COC(=O)c1cnc(N2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001157739523 1318828535 /nfs/dbraw/zinc/82/85/35/1318828535.db2.gz LDSXLBJHPOIUBP-NSHDSACASA-N 1 0 342.355 2.361 20 5 EEBDRO O=C(NCCC[NH2+]C/C=C\c1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767726 1318847795 /nfs/dbraw/zinc/84/77/95/1318847795.db2.gz SDNWIHNOWACOTA-XOENIQLWSA-N 1 0 337.807 2.114 20 5 EEBDRO C[C@@H]([NH3+])c1ccn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158354518 1319195594 /nfs/dbraw/zinc/19/55/94/1319195594.db2.gz ANAYJDXNIJLDJA-SCSAIBSYSA-N 1 0 336.661 2.262 20 5 EEBDRO CCCn1nccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001158961340 1319531432 /nfs/dbraw/zinc/53/14/32/1319531432.db2.gz YKOFOOPTYBIFKV-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)O1 ZINC001159243765 1319703966 /nfs/dbraw/zinc/70/39/66/1319703966.db2.gz UFIFHTAODYHGOP-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO O=C(COCC1CCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001160136789 1320080680 /nfs/dbraw/zinc/08/06/80/1320080680.db2.gz FTXUZWZNOYMTAA-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Nc1ccc(Nc2ccccc2CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160296970 1320126453 /nfs/dbraw/zinc/12/64/53/1320126453.db2.gz PEOIQVJAYSIYPI-UHFFFAOYSA-N 1 0 327.388 2.326 20 5 EEBDRO CC(C)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161667194 1320579816 /nfs/dbraw/zinc/57/98/16/1320579816.db2.gz HNWVPYSEWXKWQU-UHFFFAOYSA-N 1 0 345.403 2.351 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(NS(=O)(=O)c2ccc(C[NH3+])cc2)c1F ZINC001161752569 1320612012 /nfs/dbraw/zinc/61/20/12/1320612012.db2.gz ZQULTJIDJCCVKW-UHFFFAOYSA-N 1 0 339.348 2.302 20 5 EEBDRO [NH3+]Cc1cn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cn1 ZINC001162299128 1320812866 /nfs/dbraw/zinc/81/28/66/1320812866.db2.gz YZHFRWMJUHNKOZ-UHFFFAOYSA-N 1 0 325.328 2.213 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162779389 1320955826 /nfs/dbraw/zinc/95/58/26/1320955826.db2.gz YXNRUEIJYYJKRZ-VIFPVBQESA-N 1 0 341.327 2.135 20 5 EEBDRO CCOC(=O)c1cnc(N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162841258 1320971759 /nfs/dbraw/zinc/97/17/59/1320971759.db2.gz GGCZQMDIGHMZEH-ZDUSSCGKSA-N 1 0 342.355 2.188 20 5 EEBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162976808 1321002020 /nfs/dbraw/zinc/00/20/20/1321002020.db2.gz AZOZNEFPCBJBIC-QPJJXVBHSA-N 1 0 348.794 2.284 20 5 EEBDRO O=[N+]([O-])c1cc(Br)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001163263090 1321080730 /nfs/dbraw/zinc/08/07/30/1321080730.db2.gz XZSBCUUEBROBOZ-JEZHCXPESA-N 1 0 327.182 2.162 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]c1 ZINC001163582012 1321162979 /nfs/dbraw/zinc/16/29/79/1321162979.db2.gz KOMDBJAEZRXLAH-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1N1CCCN(Cc2ccncc2)CC1 ZINC001163827845 1321227658 /nfs/dbraw/zinc/22/76/58/1321227658.db2.gz WQUMCUHKYUSGPR-UHFFFAOYSA-N 1 0 331.351 2.236 20 5 EEBDRO CN1CCC(CNc2cnc(Cl)cc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164211020 1321319205 /nfs/dbraw/zinc/31/92/05/1321319205.db2.gz JTFDRTIRABUALH-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO O=C(NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494817 1321396131 /nfs/dbraw/zinc/39/61/31/1321396131.db2.gz UNRDQHOVYOLIID-HZPDHXFCSA-N 1 0 349.475 2.498 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001165195446 1321469516 /nfs/dbraw/zinc/46/95/16/1321469516.db2.gz SFEXOJLLONNJOM-WUWHRIRESA-N 1 0 345.447 2.300 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@H]43)nn2)ccc1F ZINC001165397803 1321516220 /nfs/dbraw/zinc/51/62/20/1321516220.db2.gz XKZLSYMDOUMUOX-DZGCQCFKSA-N 1 0 329.335 2.132 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ocnc1C1CC1 ZINC001166599143 1321747330 /nfs/dbraw/zinc/74/73/30/1321747330.db2.gz FSCVZIGYDYFLJD-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001307156874 1331512027 /nfs/dbraw/zinc/51/20/27/1331512027.db2.gz PAUUUIPQZLARMI-OLZOCXBDSA-N 1 0 333.388 2.078 20 5 EEBDRO CC(C)(C)[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC001319701445 1332745966 /nfs/dbraw/zinc/74/59/66/1332745966.db2.gz XJRGGSYMCMOLDZ-UHFFFAOYSA-N 1 0 335.404 2.282 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCC(CO)CC1)C1CC1 ZINC001320023390 1332812336 /nfs/dbraw/zinc/81/23/36/1332812336.db2.gz FZTBINMMTNLWOQ-GOSISDBHSA-N 1 0 347.459 2.210 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001321869795 1333171384 /nfs/dbraw/zinc/17/13/84/1333171384.db2.gz YNUDBZQEWSPOCM-NILFDRSVSA-N 1 0 349.387 2.243 20 5 EEBDRO CC[NH+]1CCC(CCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001609228052 1351902462 /nfs/dbraw/zinc/90/24/62/1351902462.db2.gz YFLVCMHBYOETKD-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC001327066324 1334215407 /nfs/dbraw/zinc/21/54/07/1334215407.db2.gz JQGYCISCAYQFQG-UHFFFAOYSA-N 1 0 337.376 2.054 20 5 EEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC001328506193 1334470369 /nfs/dbraw/zinc/47/03/69/1334470369.db2.gz RATPHNWAXGGAJC-UGSOOPFHSA-N 1 0 344.415 2.148 20 5 EEBDRO CC[C@@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001329433608 1334650592 /nfs/dbraw/zinc/65/05/92/1334650592.db2.gz PKMRNEYJNFQWOX-MRXNPFEDSA-N 1 0 331.376 2.274 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cncs3)c2)CC1 ZINC001337580884 1336716437 /nfs/dbraw/zinc/71/64/37/1336716437.db2.gz UFZUAGHMUWMMAP-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1 ZINC001338553299 1336875866 /nfs/dbraw/zinc/87/58/66/1336875866.db2.gz ZYPDVBKNRXYENI-HOCLYGCPSA-N 1 0 332.331 2.361 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001340065226 1337117720 /nfs/dbraw/zinc/11/77/20/1337117720.db2.gz NDJXWRVNULVZCN-DOTOQJQBSA-N 1 0 333.388 2.012 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001341765291 1337298073 /nfs/dbraw/zinc/29/80/73/1337298073.db2.gz ILDUJJPNDJFOAT-NUJGCVRESA-N 1 0 329.400 2.300 20 5 EEBDRO CC(C)CSCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575616876 1343842904 /nfs/dbraw/zinc/84/29/04/1343842904.db2.gz GADHUXRSFSJHSX-OAHLLOKOSA-N 1 0 325.434 2.274 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001575798313 1343887704 /nfs/dbraw/zinc/88/77/04/1343887704.db2.gz GKUSMEQRZICNGC-RBSFLKMASA-N 1 0 347.415 2.500 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576016992 1343945816 /nfs/dbraw/zinc/94/58/16/1343945816.db2.gz KYLXVAKIQJYVPH-BFHYXJOUSA-N 1 0 334.420 2.325 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001576118286 1343968595 /nfs/dbraw/zinc/96/85/95/1343968595.db2.gz YEHRSVJEFUTQEA-WCQYABFASA-N 1 0 349.387 2.098 20 5 EEBDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001577172136 1344099005 /nfs/dbraw/zinc/09/90/05/1344099005.db2.gz LUHFFOZOINBBEN-LDYMZIIASA-N 1 0 337.273 2.452 20 5 EEBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001579608653 1344400162 /nfs/dbraw/zinc/40/01/62/1344400162.db2.gz SFKIGOJPHSECJZ-UHFFFAOYSA-N 1 0 347.350 2.416 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@H]1C(F)(F)F ZINC001580393226 1344516865 /nfs/dbraw/zinc/51/68/65/1344516865.db2.gz MEEQWCLIISVBOY-RKDXNWHRSA-N 1 0 342.277 2.038 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001580420034 1344518509 /nfs/dbraw/zinc/51/85/09/1344518509.db2.gz UZUPNCUCYUYATQ-SHTZXODSSA-N 1 0 334.420 2.487 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001589711639 1349021467 /nfs/dbraw/zinc/02/14/67/1349021467.db2.gz CSHCJJCKYJQPDH-UHFFFAOYSA-N 1 0 345.407 2.084 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001589714112 1349022952 /nfs/dbraw/zinc/02/29/52/1349022952.db2.gz AEBNDVMRLUQVIS-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO C[N@H+](CCCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001591065413 1349438710 /nfs/dbraw/zinc/43/87/10/1349438710.db2.gz NFPHKZOJEYMWQU-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC001603324349 1350687528 /nfs/dbraw/zinc/68/75/28/1350687528.db2.gz HCFCZGCOLOAMCR-UHFFFAOYSA-N 1 0 333.396 2.306 20 5 EEBDRO CS[C@@H]1CCCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001605369653 1351146108 /nfs/dbraw/zinc/14/61/08/1351146108.db2.gz BHUWMJJLAFDPFA-LLVKDONJSA-N 1 0 348.432 2.492 20 5 EEBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850429509 1367141614 /nfs/dbraw/zinc/14/16/14/1367141614.db2.gz FWQLNMKBLKBSFO-RYUDHWBXSA-N 1 0 337.376 2.485 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564438 1368036744 /nfs/dbraw/zinc/03/67/44/1368036744.db2.gz IUPAEZTVMDWFDA-IAQYHMDHSA-N 1 0 345.403 2.094 20 5 EEBDRO [NH3+]Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122008115 1371940171 /nfs/dbraw/zinc/94/01/71/1371940171.db2.gz URBMULKUNVZUFS-SJORKVTESA-N 1 0 325.368 2.473 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccc1 ZINC001122262469 1371957079 /nfs/dbraw/zinc/95/70/79/1371957079.db2.gz XFCYWNRFGRYHGX-OAHLLOKOSA-N 1 0 343.383 2.164 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000839536035 1372908418 /nfs/dbraw/zinc/90/84/18/1372908418.db2.gz MKFWAPHCQURSSC-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC001342729410 1372951674 /nfs/dbraw/zinc/95/16/74/1372951674.db2.gz QGTLWDATIVBTOU-UHFFFAOYSA-N 1 0 347.462 2.151 20 5 EEBDRO C[NH+]1CCC(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848580965 1373158777 /nfs/dbraw/zinc/15/87/77/1373158777.db2.gz GTOQZBQQYRFPLO-UHFFFAOYSA-N 1 0 343.330 2.024 20 5 EEBDRO CC1(C)[NH2+][C@H](CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CO1 ZINC001576489392 1403578762 /nfs/dbraw/zinc/57/87/62/1403578762.db2.gz NNCPPAZQYSXMSA-LLVKDONJSA-N 1 0 341.795 2.369 20 5 EEBDRO [NH3+][C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC001580127515 1403830108 /nfs/dbraw/zinc/83/01/08/1403830108.db2.gz KDMRLHZATLASAD-ZDUSSCGKSA-N 1 0 331.347 2.424 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@H]1CC[NH2+]1 ZINC001580825411 1403872903 /nfs/dbraw/zinc/87/29/03/1403872903.db2.gz SLEBHFOJIZQEQU-OAHLLOKOSA-N 1 0 325.324 2.126 20 5 EEBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)COC1CCCC1 ZINC001753173818 1405819718 /nfs/dbraw/zinc/81/97/18/1405819718.db2.gz HVHGIXIQFVGHSB-UHFFFAOYSA-N 1 0 341.433 2.164 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727359 720351445 /nfs/dbraw/zinc/35/14/45/720351445.db2.gz SXFXWFJVZXKRQL-LSDHHAIUSA-N 1 0 343.362 2.377 20 5 EEBDRO CCOc1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164768098 721293828 /nfs/dbraw/zinc/29/38/28/721293828.db2.gz FMBFJRGHXAQHTL-UHFFFAOYSA-N 1 0 332.404 2.311 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000842483519 790281724 /nfs/dbraw/zinc/28/17/24/790281724.db2.gz MCVFHFCCOMQJPD-LBPRGKRZSA-N 1 0 349.840 2.208 20 5 EEBDRO Cc1nc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001167912669 760791001 /nfs/dbraw/zinc/79/10/01/760791001.db2.gz REZLWKGVWXLERL-UHFFFAOYSA-N 1 0 348.226 2.408 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001091347861 790337789 /nfs/dbraw/zinc/33/77/89/790337789.db2.gz PUHZEYILPNLTCQ-GASCZTMLSA-N 1 0 346.431 2.306 20 5 EEBDRO Cc1ncoc1C(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980909255 776018580 /nfs/dbraw/zinc/01/85/80/776018580.db2.gz NTSDYAXNZRPUSW-UHFFFAOYSA-N 1 0 344.371 2.239 20 5 EEBDRO C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CC[NH3+] ZINC000846693528 790416736 /nfs/dbraw/zinc/41/67/36/790416736.db2.gz IKCAEKVQAREVMU-SMDDNHRTSA-N 1 0 339.367 2.089 20 5 EEBDRO Cn1cc([C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000846929995 790734708 /nfs/dbraw/zinc/73/47/08/790734708.db2.gz FFKHRVACWJYITI-SJORKVTESA-N 1 0 344.415 2.487 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000894047707 780459655 /nfs/dbraw/zinc/45/96/55/780459655.db2.gz VFYCNRVXPCPTRE-UHFFFAOYSA-N 1 0 325.796 2.203 20 5 EEBDRO CCCn1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001135710050 784277655 /nfs/dbraw/zinc/27/76/55/784277655.db2.gz QMGZNLMQCJKQIF-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170872359 784823664 /nfs/dbraw/zinc/82/36/64/784823664.db2.gz PYJRFUJXQYWCJO-TZMCWYRMSA-N 1 0 335.404 2.455 20 5 EEBDRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000907803146 784857236 /nfs/dbraw/zinc/85/72/36/784857236.db2.gz WYRKQQMALIWRNS-AWEZNQCLSA-N 1 0 349.435 2.077 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818590050 785300155 /nfs/dbraw/zinc/30/01/55/785300155.db2.gz MGJCJZZIMDIMTO-OLBFVZFUSA-N 1 0 343.786 2.433 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000818951298 785340607 /nfs/dbraw/zinc/34/06/07/785340607.db2.gz AOUVMUHDKUWRFR-MRXNPFEDSA-N 1 0 332.356 2.435 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)cc1 ZINC000819160885 785438429 /nfs/dbraw/zinc/43/84/29/785438429.db2.gz LZSJISKOAZTUHW-CQSZACIVSA-N 1 0 337.763 2.345 20 5 EEBDRO C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000908574008 785539518 /nfs/dbraw/zinc/53/95/18/785539518.db2.gz QUVQYXYTSRGFQI-UHFFFAOYSA-N 1 0 349.435 2.003 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000819718587 785656473 /nfs/dbraw/zinc/65/64/73/785656473.db2.gz FLLKCESSXLVOPC-SMDDNHRTSA-N 1 0 339.342 2.239 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000820503339 785962075 /nfs/dbraw/zinc/96/20/75/785962075.db2.gz GNMRAUAQTFQEDS-CJNGLKHVSA-N 1 0 346.431 2.360 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000823770863 787929472 /nfs/dbraw/zinc/92/94/72/787929472.db2.gz JVMVEJLCHRNKOY-UKRRQHHQSA-N 1 0 349.412 2.109 20 5 EEBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])c2C1 ZINC001171092176 788669987 /nfs/dbraw/zinc/66/99/87/788669987.db2.gz ZFVWRYMWHFALGS-JTQLQIEISA-N 1 0 342.330 2.127 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000923299427 789321844 /nfs/dbraw/zinc/32/18/44/789321844.db2.gz VDQSZQKOUTUQDV-UONOGXRCSA-N 1 0 333.388 2.059 20 5 EEBDRO CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923310325 789368550 /nfs/dbraw/zinc/36/85/50/789368550.db2.gz FNDNJOQHWJDEDG-KGLIPLIRSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](CN1CCOCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000045959802 789800706 /nfs/dbraw/zinc/80/07/06/789800706.db2.gz HTNQDVBEFZQQIM-SNVBAGLBSA-N 1 0 342.783 2.090 20 5 EEBDRO CCc1ccnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001128014639 791819757 /nfs/dbraw/zinc/81/97/57/791819757.db2.gz LJPSBFDCUZQKOB-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3F)C2)nc1 ZINC000173470777 791859108 /nfs/dbraw/zinc/85/91/08/791859108.db2.gz CDMFXJAMCGJMSM-LRDDRELGSA-N 1 0 346.362 2.349 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2nsnc2c1[N+](=O)[O-] ZINC001171394041 794580043 /nfs/dbraw/zinc/58/00/43/794580043.db2.gz NIIGFTLMVXQPDD-SECBINFHSA-N 1 0 343.368 2.457 20 5 EEBDRO C[NH+](C)CCC(=O)NC1CC2(C1)CC(Nc1ccccc1[N+](=O)[O-])C2 ZINC001093445136 795203047 /nfs/dbraw/zinc/20/30/47/795203047.db2.gz UZKNMKZQTNIMBB-UHFFFAOYSA-N 1 0 346.431 2.386 20 5 EEBDRO Cc1ccc(NCCNC(=O)C23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC001094248057 796037150 /nfs/dbraw/zinc/03/71/50/796037150.db2.gz RYNUALJCZLEZGV-UHFFFAOYSA-N 1 0 332.404 2.060 20 5 EEBDRO CC(C)N1C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172902135 797130241 /nfs/dbraw/zinc/13/02/41/797130241.db2.gz VTEVGJFEXKSGGI-HOTGVXAUSA-N 1 0 331.416 2.441 20 5 EEBDRO Cc1cc(N(C(N)=[NH2+])[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n[nH]1 ZINC001172907735 797133547 /nfs/dbraw/zinc/13/35/47/797133547.db2.gz HUOKUMXHLZVDMP-CYBMUJFWSA-N 1 0 328.376 2.274 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172913690 797148436 /nfs/dbraw/zinc/14/84/36/797148436.db2.gz UFOSTDDFKTWZQL-RDJZCZTQSA-N 1 0 348.399 2.106 20 5 EEBDRO O=C1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]2CCCN12 ZINC001172921317 797151130 /nfs/dbraw/zinc/15/11/30/797151130.db2.gz OJAIFYLWKRKCTL-NVXWUHKLSA-N 1 0 329.400 2.149 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2nncs2)c1F ZINC001173179065 797278877 /nfs/dbraw/zinc/27/88/77/797278877.db2.gz JNNLMOHNJJVGRJ-SECBINFHSA-N 1 0 340.380 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)c2ccccn2)c1F ZINC001173193042 797282834 /nfs/dbraw/zinc/28/28/34/797282834.db2.gz SSBPHHZDGFDRNU-ABAIWWIYSA-N 1 0 349.362 2.392 20 5 EEBDRO COC(=O)c1ccnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173219193 797299970 /nfs/dbraw/zinc/29/99/70/797299970.db2.gz YQZFNRCTWFXBPJ-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001173211913 797314635 /nfs/dbraw/zinc/31/46/35/797314635.db2.gz VJHHCIVTTRIKLV-BBRMVZONSA-N 1 0 341.411 2.372 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)NCc1ccco1 ZINC001173213925 797315736 /nfs/dbraw/zinc/31/57/36/797315736.db2.gz MDCYBQUFOVQVHE-CYBMUJFWSA-N 1 0 331.372 2.415 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001173238720 797324342 /nfs/dbraw/zinc/32/43/42/797324342.db2.gz WQCIAKYNPCERRK-QAPCUYQASA-N 1 0 333.432 2.322 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095189365 797500967 /nfs/dbraw/zinc/50/09/67/797500967.db2.gz NZSHFGQWGFHQDJ-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC(C)CNC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000917009931 798019131 /nfs/dbraw/zinc/01/91/31/798019131.db2.gz OHFMIFDJXAMWHA-UHFFFAOYSA-N 1 0 349.431 2.458 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC[C@@H]1CCC[N@@H+]1C ZINC000917469929 798241210 /nfs/dbraw/zinc/24/12/10/798241210.db2.gz ZQUJPDFUJVMSDL-NSHDSACASA-N 1 0 334.401 2.028 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000917660597 798312490 /nfs/dbraw/zinc/31/24/90/798312490.db2.gz DXHVMVMGKUDGCQ-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(C)c1ccc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000823684047 798758082 /nfs/dbraw/zinc/75/80/82/798758082.db2.gz MIQLJBXRDLWFOC-UHFFFAOYSA-N 1 0 349.431 2.247 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001086060371 802043757 /nfs/dbraw/zinc/04/37/57/802043757.db2.gz PKNUZVYOUHBTMJ-FZNQNYSPSA-N 1 0 342.399 2.232 20 5 EEBDRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001086065375 802061408 /nfs/dbraw/zinc/06/14/08/802061408.db2.gz ADHNEZVJDGIFHP-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083094 802112115 /nfs/dbraw/zinc/11/21/15/802112115.db2.gz NXJUPRGGQLGVFQ-DTHBNOIPSA-N 1 0 343.836 2.051 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001086292473 802685695 /nfs/dbraw/zinc/68/56/95/802685695.db2.gz IUKZLQHKFHKJOS-YEORSEQZSA-N 1 0 346.412 2.350 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC001168884500 803500572 /nfs/dbraw/zinc/50/05/72/803500572.db2.gz YVMUWUVQNZCFFO-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964236 803552277 /nfs/dbraw/zinc/55/22/77/803552277.db2.gz SCVALJDVWOZTJP-XUXIUFHCSA-N 1 0 327.425 2.325 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168998838 803563936 /nfs/dbraw/zinc/56/39/36/803563936.db2.gz QLASEPRNOIVATM-INWMFGNUSA-N 1 0 336.388 2.334 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011087 803570913 /nfs/dbraw/zinc/57/09/13/803570913.db2.gz IGOTZMLFKBZOSL-CRWXNKLISA-N 1 0 325.409 2.125 20 5 EEBDRO COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001168990303 803574015 /nfs/dbraw/zinc/57/40/15/803574015.db2.gz BMHZQWMFRFRIHV-BBWFWOEESA-N 1 0 333.432 2.305 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039760 803582809 /nfs/dbraw/zinc/58/28/09/803582809.db2.gz SXVKPNFXNTZJKV-CABCVRRESA-N 1 0 334.420 2.048 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039763 803582813 /nfs/dbraw/zinc/58/28/13/803582813.db2.gz SXVKPNFXNTZJKV-LSDHHAIUSA-N 1 0 334.420 2.048 20 5 EEBDRO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050680 803595419 /nfs/dbraw/zinc/59/54/19/803595419.db2.gz CHKJLXNOUAFIKA-RBSFLKMASA-N 1 0 335.404 2.379 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)c1cccc(F)c1 ZINC001169054895 803597148 /nfs/dbraw/zinc/59/71/48/803597148.db2.gz OBTJKOWJCUKXEF-XYPHTWIQSA-N 1 0 349.406 2.465 20 5 EEBDRO CC1(C)C[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C[C@@](C)(C[NH3+])C1 ZINC001169140433 803643601 /nfs/dbraw/zinc/64/36/01/803643601.db2.gz GFERQBJTLILOPM-MEBBXXQBSA-N 1 0 326.372 2.323 20 5 EEBDRO CN(CCCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001109454592 805492422 /nfs/dbraw/zinc/49/24/22/805492422.db2.gz ILLPRRPJQZAKKN-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000787525032 807138740 /nfs/dbraw/zinc/13/87/40/807138740.db2.gz NNOOZYGGKSDISJ-UHFFFAOYSA-N 1 0 329.347 2.487 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170296654 809869645 /nfs/dbraw/zinc/86/96/45/809869645.db2.gz HJZDPQNOPOKNSI-GFCCVEGCSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170278284 809876963 /nfs/dbraw/zinc/87/69/63/809876963.db2.gz WHGCQHFYUVICQG-BZUAXINKSA-N 1 0 339.392 2.049 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCSCC2)c([N+](=O)[O-])c1 ZINC001170308619 809901183 /nfs/dbraw/zinc/90/11/83/809901183.db2.gz MXWMJJCMGSXQIA-CYBMUJFWSA-N 1 0 339.461 2.173 20 5 EEBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808219053 812522440 /nfs/dbraw/zinc/52/24/40/812522440.db2.gz WLUYQMLDJJNINL-CQSZACIVSA-N 1 0 345.403 2.140 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001131600865 813016031 /nfs/dbraw/zinc/01/60/31/813016031.db2.gz ASOHRFFNGSZPMR-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)Cc1ccccc1 ZINC001522810346 1119509867 /nfs/dbraw/zinc/50/98/67/1119509867.db2.gz LOTRLECRAAKZRB-MRXNPFEDSA-N 1 0 327.384 2.464 20 5 EEBDRO COc1ccc(OCCN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000173792208 231035254 /nfs/dbraw/zinc/03/52/54/231035254.db2.gz ZZVXXXAUYDHONR-CQSZACIVSA-N 1 0 337.420 2.256 20 5 EEBDRO COc1ccc(OCCN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000173792192 231035741 /nfs/dbraw/zinc/03/57/41/231035741.db2.gz ZZVXXXAUYDHONR-AWEZNQCLSA-N 1 0 337.420 2.256 20 5 EEBDRO C[N@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000171576738 529912949 /nfs/dbraw/zinc/91/29/49/529912949.db2.gz YTGZPBIYZGOKIF-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181900692 234373034 /nfs/dbraw/zinc/37/30/34/234373034.db2.gz VRDIQTFFJSPYLQ-SNVBAGLBSA-N 1 0 343.330 2.220 20 5 EEBDRO NC(=O)c1cccc(N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000341929229 283385130 /nfs/dbraw/zinc/38/51/30/283385130.db2.gz NAPYRGQLDABBQP-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000129978335 223109384 /nfs/dbraw/zinc/10/93/84/223109384.db2.gz QZMGCWILAOABFZ-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000424071775 283644318 /nfs/dbraw/zinc/64/43/18/283644318.db2.gz FCTRGEFVYOEGDV-AWEZNQCLSA-N 1 0 341.367 2.280 20 5 EEBDRO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420271312 239707124 /nfs/dbraw/zinc/70/71/24/239707124.db2.gz HLPSRBOBRNJMCX-TZMCWYRMSA-N 1 0 327.388 2.321 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422852916 240261678 /nfs/dbraw/zinc/26/16/78/240261678.db2.gz YELJPCMNRKQNDH-RYUDHWBXSA-N 1 0 328.372 2.342 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423698933 240575880 /nfs/dbraw/zinc/57/58/80/240575880.db2.gz OLIOUALNHFAISW-FZMZJTMJSA-N 1 0 349.387 2.019 20 5 EEBDRO CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447601797 242292614 /nfs/dbraw/zinc/29/26/14/242292614.db2.gz RCJJLHLRRPQOLP-ZIAGYGMSSA-N 1 0 349.435 2.171 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236671704 242314613 /nfs/dbraw/zinc/31/46/13/242314613.db2.gz ZWJXSPXKIJFRKP-ZDUSSCGKSA-N 1 0 344.209 2.461 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000451102899 243001069 /nfs/dbraw/zinc/00/10/69/243001069.db2.gz FTQYLUHGDSQNQE-XKQJLSEDSA-N 1 0 347.415 2.415 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459253277 245049731 /nfs/dbraw/zinc/04/97/31/245049731.db2.gz HJYVVTXXMXIQIL-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000077930677 217001958 /nfs/dbraw/zinc/00/19/58/217001958.db2.gz JVVBVFVCSVRSHV-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262824069 245197137 /nfs/dbraw/zinc/19/71/37/245197137.db2.gz HCJASESIBMBUMV-BDAKNGLRSA-N 1 0 342.193 2.228 20 5 EEBDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000459652238 245198209 /nfs/dbraw/zinc/19/82/09/245198209.db2.gz WEUVDKHHXJIWPC-UHFFFAOYSA-N 1 0 349.412 2.183 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264157115 246120571 /nfs/dbraw/zinc/12/05/71/246120571.db2.gz IROMDDZCGPNOCQ-UHFFFAOYSA-N 1 0 325.413 2.066 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264318109 246344559 /nfs/dbraw/zinc/34/45/59/246344559.db2.gz PNGYZYPANIWZJY-HNNXBMFYSA-N 1 0 329.404 2.305 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000265013537 247134812 /nfs/dbraw/zinc/13/48/12/247134812.db2.gz VFLJPOKLEOIRLK-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087299 248086811 /nfs/dbraw/zinc/08/68/11/248086811.db2.gz OBSZYPXJAHYNST-RISCZKNCSA-N 1 0 330.388 2.488 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc2n1CCC2)C1CC1 ZINC000268743295 285161965 /nfs/dbraw/zinc/16/19/65/285161965.db2.gz DQFVOGWWRAVHDR-AWEZNQCLSA-N 1 0 327.388 2.243 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CC2)cc1SC ZINC000416305087 533132567 /nfs/dbraw/zinc/13/25/67/533132567.db2.gz WDIVLDQRCRDEMN-UHFFFAOYSA-N 1 0 339.417 2.149 20 5 EEBDRO CCc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267134799 256031074 /nfs/dbraw/zinc/03/10/74/256031074.db2.gz SHMYGEFCHJUBQM-MRXNPFEDSA-N 1 0 337.445 2.324 20 5 EEBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000267193670 256036037 /nfs/dbraw/zinc/03/60/37/256036037.db2.gz MWPVMRNHLUYJOW-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000267214622 256038386 /nfs/dbraw/zinc/03/83/86/256038386.db2.gz HDHMWRYFYHJIDU-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO CCOc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123883 256210194 /nfs/dbraw/zinc/21/01/94/256210194.db2.gz KAPDJYPKSFNBKG-ZFWWWQNUSA-N 1 0 337.420 2.101 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+](C)C ZINC000271178772 256216335 /nfs/dbraw/zinc/21/63/35/256216335.db2.gz UHLCOFHFXYMFRI-SWLSCSKDSA-N 1 0 349.412 2.459 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000272943694 256251427 /nfs/dbraw/zinc/25/14/27/256251427.db2.gz ODHLMSQTEZSEQX-QGZVFWFLSA-N 1 0 342.395 2.434 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273173008 256272967 /nfs/dbraw/zinc/27/29/67/256272967.db2.gz FMSODCZVXJSDRK-AWEZNQCLSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000188015057 533448325 /nfs/dbraw/zinc/44/83/25/533448325.db2.gz FMCOIMFTAJOBRN-ZENOOKHLSA-N 1 0 335.404 2.453 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ncc1[N+](=O)[O-] ZINC000165840741 143820529 /nfs/dbraw/zinc/82/05/29/143820529.db2.gz MFURSQNOZYNMIH-ZJUUUORDSA-N 1 0 341.209 2.391 20 5 EEBDRO COC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000078728197 292193291 /nfs/dbraw/zinc/19/32/91/292193291.db2.gz IOBZSXWJDZLAPS-INIZCTEOSA-N 1 0 336.388 2.181 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000374295006 154035746 /nfs/dbraw/zinc/03/57/46/154035746.db2.gz LKTICSUQHROETL-IRXDYDNUSA-N 1 0 325.368 2.422 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000251843942 160390673 /nfs/dbraw/zinc/39/06/73/160390673.db2.gz MYUVKZGKAZOVBW-MPESAESLSA-N 1 0 333.388 2.469 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000068180434 159016888 /nfs/dbraw/zinc/01/68/88/159016888.db2.gz QMHCSQXLSCWWAP-MRXNPFEDSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000071804730 159036655 /nfs/dbraw/zinc/03/66/55/159036655.db2.gz WAGYEYBDURSLCQ-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080791899 159145807 /nfs/dbraw/zinc/14/58/07/159145807.db2.gz FPYWXYVODGDHKA-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000083026931 159160051 /nfs/dbraw/zinc/16/00/51/159160051.db2.gz WKQOUSVZYQECEU-ZIAGYGMSSA-N 1 0 335.404 2.214 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000342117732 161040902 /nfs/dbraw/zinc/04/09/02/161040902.db2.gz ZIWUMRQPDKDYKI-XQLPTFJDSA-N 1 0 346.431 2.289 20 5 EEBDRO CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000342318818 161055769 /nfs/dbraw/zinc/05/57/69/161055769.db2.gz MRSZJHJETUDLTK-SJKOYZFVSA-N 1 0 335.404 2.284 20 5 EEBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342775762 161089792 /nfs/dbraw/zinc/08/97/92/161089792.db2.gz AHIOVXNRRPUVDB-UHFFFAOYSA-N 1 0 339.399 2.456 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000344116632 161199808 /nfs/dbraw/zinc/19/98/08/161199808.db2.gz OIQPMMMRSOZOGB-BMGDILEWSA-N 1 0 347.415 2.210 20 5 EEBDRO CN(CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000344700174 161237421 /nfs/dbraw/zinc/23/74/21/161237421.db2.gz HCOWEAFHLCOCBL-MRXNPFEDSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@H]1CCC[C@](CNC(=O)c2cccc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000344937348 161257756 /nfs/dbraw/zinc/25/77/56/161257756.db2.gz RLSKRXKDDXUFPZ-SJCJKPOMSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345371993 161296270 /nfs/dbraw/zinc/29/62/70/161296270.db2.gz CRDKLHSRISXKJK-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCC(C)CC1 ZINC000345833429 161335811 /nfs/dbraw/zinc/33/58/11/161335811.db2.gz MQKIHJWKYHWKNC-OAHLLOKOSA-N 1 0 336.436 2.420 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345957862 161345286 /nfs/dbraw/zinc/34/52/86/161345286.db2.gz VXALENRHRQUGIR-ZFWWWQNUSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000352660424 162232467 /nfs/dbraw/zinc/23/24/67/162232467.db2.gz RUFKJOKSWFFRET-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)n1 ZINC000367983516 166031354 /nfs/dbraw/zinc/03/13/54/166031354.db2.gz POHSYFRGYKGHML-AWEZNQCLSA-N 1 0 326.360 2.088 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360313589 164282604 /nfs/dbraw/zinc/28/26/04/164282604.db2.gz CEYNFSXCXCSOBY-GFCCVEGCSA-N 1 0 335.404 2.340 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000362782335 164795024 /nfs/dbraw/zinc/79/50/24/164795024.db2.gz QIDNRQQPDILGEZ-IIAWOOMASA-N 1 0 347.415 2.227 20 5 EEBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369265379 166224101 /nfs/dbraw/zinc/22/41/01/166224101.db2.gz GGMZPDRSCXDCNW-GFCCVEGCSA-N 1 0 349.391 2.083 20 5 EEBDRO CC(C)Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000376651706 167368024 /nfs/dbraw/zinc/36/80/24/167368024.db2.gz MYGUZSXKIFQQJL-UHFFFAOYSA-N 1 0 332.408 2.481 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272702238 269011446 /nfs/dbraw/zinc/01/14/46/269011446.db2.gz FWHLRFBQOPZRIZ-GFCCVEGCSA-N 1 0 348.403 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccno4)CC3)nc2c1 ZINC000274819155 269057811 /nfs/dbraw/zinc/05/78/11/269057811.db2.gz JOJFWKYAHVMLFV-UHFFFAOYSA-N 1 0 342.359 2.171 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](CC3CCOCC3)CC1)CCN2 ZINC000278360162 269226069 /nfs/dbraw/zinc/22/60/69/269226069.db2.gz KEPCRFOZCXYXFU-UHFFFAOYSA-N 1 0 346.431 2.111 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@H+](C)C1CC1 ZINC000279539210 269286490 /nfs/dbraw/zinc/28/64/90/269286490.db2.gz WQXPSWVXJLYADV-SNVBAGLBSA-N 1 0 338.383 2.012 20 5 EEBDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922530 269558171 /nfs/dbraw/zinc/55/81/71/269558171.db2.gz CGQBVRPOYGYRSL-DOMZBBRYSA-N 1 0 326.418 2.460 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000272711103 274179159 /nfs/dbraw/zinc/17/91/59/274179159.db2.gz KSPOZXCSGKOJRY-LBPRGKRZSA-N 1 0 335.389 2.476 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277396961 274288558 /nfs/dbraw/zinc/28/85/58/274288558.db2.gz JODTZQXMARISPP-MRXNPFEDSA-N 1 0 346.431 2.453 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000285338267 274714759 /nfs/dbraw/zinc/71/47/59/274714759.db2.gz UQEHQISOHLRMDD-TZMCWYRMSA-N 1 0 342.417 2.049 20 5 EEBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192808845 274854191 /nfs/dbraw/zinc/85/41/91/274854191.db2.gz CITNYVGJKOYIFP-BBRMVZONSA-N 1 0 327.388 2.477 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000287155876 274939945 /nfs/dbraw/zinc/93/99/45/274939945.db2.gz NQQJJNFTABAVDM-HUUCEWRRSA-N 1 0 346.431 2.116 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000361526676 275017309 /nfs/dbraw/zinc/01/73/09/275017309.db2.gz SQIIDTVFUWPTQE-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO CCc1nn(C)c(NC[C@@](C)([NH3+])Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000289015410 275095559 /nfs/dbraw/zinc/09/55/59/275095559.db2.gz XPVOBGIONIQNQD-KRWDZBQOSA-N 1 0 347.419 2.271 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000289163099 275101918 /nfs/dbraw/zinc/10/19/18/275101918.db2.gz UNMVGXMAGLSQRO-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EEBDRO Cc1cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1[N+](=O)[O-] ZINC000289390056 275113078 /nfs/dbraw/zinc/11/30/78/275113078.db2.gz MJAKAQHETHQIGE-MRXNPFEDSA-N 1 0 330.388 2.391 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289419590 275114871 /nfs/dbraw/zinc/11/48/71/275114871.db2.gz IWWHTNLPYQHUOI-GFCCVEGCSA-N 1 0 346.330 2.108 20 5 EEBDRO CC(C)(CCc1noc(-c2ccnc(-n3ccnc3)c2)n1)[N+](=O)[O-] ZINC000291051942 275265110 /nfs/dbraw/zinc/26/51/10/275265110.db2.gz IMDJLKRLJGIOEE-UHFFFAOYSA-N 1 0 328.332 2.305 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000292091236 275374669 /nfs/dbraw/zinc/37/46/69/275374669.db2.gz NFCPGTPWRHNYNZ-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000161240185 275673536 /nfs/dbraw/zinc/67/35/36/275673536.db2.gz KNSFVBFSZBYXFN-NSHDSACASA-N 1 0 349.840 2.242 20 5 EEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000236763740 275748376 /nfs/dbraw/zinc/74/83/76/275748376.db2.gz KBDQNWLFEHRLLH-MRXNPFEDSA-N 1 0 345.403 2.121 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000368139070 276381248 /nfs/dbraw/zinc/38/12/48/276381248.db2.gz MZIDRLRZGCZHGA-DZGCQCFKSA-N 1 0 335.404 2.029 20 5 EEBDRO C[NH+](C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000416294770 276766002 /nfs/dbraw/zinc/76/60/02/276766002.db2.gz YYLTYYGYFVAGOB-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293151717 293138941 /nfs/dbraw/zinc/13/89/41/293138941.db2.gz BRTTXNYALYSVPK-JTQLQIEISA-N 1 0 336.310 2.359 20 5 EEBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1F ZINC000294383173 293440909 /nfs/dbraw/zinc/44/09/09/293440909.db2.gz HLHVIQKLPAGZCZ-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)[C@H]1[NH3+] ZINC000297462442 294250535 /nfs/dbraw/zinc/25/05/35/294250535.db2.gz XQANXLZSQMWREX-PGUXBMHVSA-N 1 0 328.372 2.341 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000297523155 294269031 /nfs/dbraw/zinc/26/90/31/294269031.db2.gz BKWDGZHYIQHDES-GXFFZTMASA-N 1 0 339.367 2.155 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237574769 298994979 /nfs/dbraw/zinc/99/49/79/298994979.db2.gz LPVOPPVJUGCDEW-GXSJLCMTSA-N 1 0 347.824 2.139 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352488502 303389427 /nfs/dbraw/zinc/38/94/27/303389427.db2.gz QXIDWDUHXFYNGW-GFCCVEGCSA-N 1 0 340.811 2.390 20 5 EEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000194770178 303393508 /nfs/dbraw/zinc/39/35/08/303393508.db2.gz KWKCDIGBQSFYER-LLVKDONJSA-N 1 0 347.824 2.044 20 5 EEBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000331658674 311886826 /nfs/dbraw/zinc/88/68/26/311886826.db2.gz OPAPMSOSTGYKDF-UHFFFAOYSA-N 1 0 337.424 2.055 20 5 EEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000395615554 312443944 /nfs/dbraw/zinc/44/39/44/312443944.db2.gz FUTYOSBVXSNTDC-CQSZACIVSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414323284 312997623 /nfs/dbraw/zinc/99/76/23/312997623.db2.gz GZXPIAYABUGLRU-ZDUSSCGKSA-N 1 0 340.445 2.330 20 5 EEBDRO Cc1cc(C(=O)NCc2nc([C@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000414633564 313052301 /nfs/dbraw/zinc/05/23/01/313052301.db2.gz ZTMGFSJMVRRISN-GFCCVEGCSA-N 1 0 347.375 2.262 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000422030348 314172670 /nfs/dbraw/zinc/17/26/70/314172670.db2.gz APBXAPPPXZOQDW-AWEZNQCLSA-N 1 0 343.387 2.151 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425066899 314328433 /nfs/dbraw/zinc/32/84/33/314328433.db2.gz QFPVNEHDAXRHJM-QMCVQRASSA-N 1 0 329.400 2.251 20 5 EEBDRO Cc1nn(C)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425273352 314370889 /nfs/dbraw/zinc/37/08/89/314370889.db2.gz INRPLGIPFITCAT-JKSUJKDBSA-N 1 0 341.415 2.347 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448688211 315375957 /nfs/dbraw/zinc/37/59/57/315375957.db2.gz AHGMAHFGIWDPBQ-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000516533841 316566477 /nfs/dbraw/zinc/56/64/77/316566477.db2.gz ZJFAUIXNRJHKQK-OAHLLOKOSA-N 1 0 334.351 2.105 20 5 EEBDRO CCCC(CCC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539071160 318051607 /nfs/dbraw/zinc/05/16/07/318051607.db2.gz GLYYDMAKEINXBM-UHFFFAOYSA-N 1 0 343.449 2.432 20 5 EEBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574338 318132834 /nfs/dbraw/zinc/13/28/34/318132834.db2.gz NGAQUCPNOOVJRB-BBRMVZONSA-N 1 0 348.403 2.463 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543751953 318172020 /nfs/dbraw/zinc/17/20/20/318172020.db2.gz XJPXXVZDKCDQNU-STQMWFEESA-N 1 0 334.420 2.316 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000548679879 318404462 /nfs/dbraw/zinc/40/44/62/318404462.db2.gz JNFHNVJACSSCGZ-SJCJKPOMSA-N 1 0 347.415 2.007 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000562987299 318953147 /nfs/dbraw/zinc/95/31/47/318953147.db2.gz GCLWKGJBIJRSPA-INIZCTEOSA-N 1 0 334.347 2.436 20 5 EEBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000562999735 318955989 /nfs/dbraw/zinc/95/59/89/318955989.db2.gz DOXOLCPFBAWVHF-INIZCTEOSA-N 1 0 331.372 2.136 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000564336504 319079598 /nfs/dbraw/zinc/07/95/98/319079598.db2.gz XQPUUUZPVINZPF-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO [NH3+][C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000564833175 319115989 /nfs/dbraw/zinc/11/59/89/319115989.db2.gz LEULWGYELYMJNU-INIZCTEOSA-N 1 0 327.384 2.214 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000567700791 319407466 /nfs/dbraw/zinc/40/74/66/319407466.db2.gz RJYPUSWWKSHFPH-AAEUAGOBSA-N 1 0 330.331 2.360 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000567845175 319425456 /nfs/dbraw/zinc/42/54/56/319425456.db2.gz MYFPLLNBYDNZFB-TZMCWYRMSA-N 1 0 339.417 2.015 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000576519239 320179568 /nfs/dbraw/zinc/17/95/68/320179568.db2.gz DNXPKUUMTXDGDX-HNNXBMFYSA-N 1 0 334.420 2.354 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000580774711 324126723 /nfs/dbraw/zinc/12/67/23/324126723.db2.gz DHKRLESKOGKQHQ-UHFFFAOYSA-N 1 0 348.447 2.445 20 5 EEBDRO COCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000581186130 324202674 /nfs/dbraw/zinc/20/26/74/324202674.db2.gz FJSGKVLITXEZQX-HNNXBMFYSA-N 1 0 338.404 2.131 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000491347816 448000707 /nfs/dbraw/zinc/00/07/07/448000707.db2.gz DOUHIXBFFOFKMT-BQYQJAHWSA-N 1 0 329.360 2.005 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000085394361 462543725 /nfs/dbraw/zinc/54/37/25/462543725.db2.gz DHBOUYMBRPSQQU-BBRMVZONSA-N 1 0 334.420 2.119 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000193095274 465026532 /nfs/dbraw/zinc/02/65/32/465026532.db2.gz BTCAFXDTQBHXEO-GFCCVEGCSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000327400403 465050743 /nfs/dbraw/zinc/05/07/43/465050743.db2.gz FCPQAPRKLRSHQU-HNNXBMFYSA-N 1 0 348.447 2.255 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000341237676 465070430 /nfs/dbraw/zinc/07/04/30/465070430.db2.gz ONTFDYZEXLUFGX-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351399515 465142393 /nfs/dbraw/zinc/14/23/93/465142393.db2.gz BDJHNLQYDCYODH-LSDHHAIUSA-N 1 0 333.436 2.350 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](SC)C1 ZINC000296424584 465189214 /nfs/dbraw/zinc/18/92/14/465189214.db2.gz VAKYZHAOXSOQRK-LBPRGKRZSA-N 1 0 339.417 2.369 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000341962894 465277873 /nfs/dbraw/zinc/27/78/73/465277873.db2.gz VJUNSOMTIRALNT-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO CC(=O)c1ccc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000074055323 462549963 /nfs/dbraw/zinc/54/99/63/462549963.db2.gz PWWZLTCDTURXRH-GOSISDBHSA-N 1 0 348.447 2.481 20 5 EEBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000127537795 462562758 /nfs/dbraw/zinc/56/27/58/462562758.db2.gz NCVVFRRLJXSEFK-BBRMVZONSA-N 1 0 331.372 2.423 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+](C)C ZINC000114377926 462641592 /nfs/dbraw/zinc/64/15/92/462641592.db2.gz ASIZXQDHOVPIEX-AWEZNQCLSA-N 1 0 338.364 2.209 20 5 EEBDRO Cc1nc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645239 462703518 /nfs/dbraw/zinc/70/35/18/462703518.db2.gz MBSPYIHKLPQORN-HZPDHXFCSA-N 1 0 342.399 2.346 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@]2(CCOC2)C1 ZINC000153904519 462706727 /nfs/dbraw/zinc/70/67/27/462706727.db2.gz XFQQCWMWPKBKQV-PXAZEXFGSA-N 1 0 349.387 2.043 20 5 EEBDRO Cc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1C ZINC000075766192 462758038 /nfs/dbraw/zinc/75/80/38/462758038.db2.gz OPNSADPWQSSNDA-SFHVURJKSA-N 1 0 344.415 2.434 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000009917141 462809798 /nfs/dbraw/zinc/80/97/98/462809798.db2.gz QDJAYJLZEPNBHX-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120542584 463009843 /nfs/dbraw/zinc/00/98/43/463009843.db2.gz POYSEDFJZFBXMQ-AEFFLSMTSA-N 1 0 346.431 2.495 20 5 EEBDRO COc1ccc(CC(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000067914165 463066529 /nfs/dbraw/zinc/06/65/29/463066529.db2.gz ZRKRSVDJGATDIB-UHFFFAOYSA-N 1 0 349.431 2.383 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000157066237 463095354 /nfs/dbraw/zinc/09/53/54/463095354.db2.gz HBOPLMMANKZYHT-KGLIPLIRSA-N 1 0 333.388 2.160 20 5 EEBDRO O=C(NCCCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157811129 463172401 /nfs/dbraw/zinc/17/24/01/463172401.db2.gz BDWDHJHQRFTEPN-UHFFFAOYSA-N 1 0 330.344 2.318 20 5 EEBDRO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000068910513 463189833 /nfs/dbraw/zinc/18/98/33/463189833.db2.gz AWULISBUSHZDLI-QGZVFWFLSA-N 1 0 341.415 2.390 20 5 EEBDRO CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097138484 463332872 /nfs/dbraw/zinc/33/28/72/463332872.db2.gz PETVIESLJBQVBG-CQSZACIVSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000032731257 463390758 /nfs/dbraw/zinc/39/07/58/463390758.db2.gz QGZPIXDSIWGBSZ-KBPBESRZSA-N 1 0 335.404 2.353 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104755779 463421564 /nfs/dbraw/zinc/42/15/64/463421564.db2.gz SSWZDNNYQAHNCT-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071892872 463459329 /nfs/dbraw/zinc/45/93/29/463459329.db2.gz GIGJVECCEPVZRZ-QGZVFWFLSA-N 1 0 332.448 2.197 20 5 EEBDRO CCOCC[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105831161 463475118 /nfs/dbraw/zinc/47/51/18/463475118.db2.gz GZBIJHWBNJVORE-UHFFFAOYSA-N 1 0 337.420 2.018 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041929124 463522144 /nfs/dbraw/zinc/52/21/44/463522144.db2.gz HVJSZNNRMAMNDR-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000170688794 463696052 /nfs/dbraw/zinc/69/60/52/463696052.db2.gz QXBGBWZDJAPWEN-MRXNPFEDSA-N 1 0 340.383 2.380 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000286857713 463725165 /nfs/dbraw/zinc/72/51/65/463725165.db2.gz ZITWPBLSDSXLIC-UHFFFAOYSA-N 1 0 346.387 2.364 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177664281 463760280 /nfs/dbraw/zinc/76/02/80/463760280.db2.gz OGFNLXUMNWTRNB-YPMHNXCESA-N 1 0 348.403 2.028 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268967944 463830348 /nfs/dbraw/zinc/83/03/48/463830348.db2.gz NHQKQINMXWFOMU-JKSUJKDBSA-N 1 0 348.403 2.094 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000261773820 463855035 /nfs/dbraw/zinc/85/50/35/463855035.db2.gz OYXFNXAJNLKGDW-LSDHHAIUSA-N 1 0 341.367 2.170 20 5 EEBDRO CCOc1cc(-c2nc(C[C@@H](C)[NH2+]C)no2)c([N+](=O)[O-])cc1OC ZINC000261818259 463869162 /nfs/dbraw/zinc/86/91/62/463869162.db2.gz QGHPFAVTGVRZBC-SECBINFHSA-N 1 0 336.348 2.203 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(Cc3ccccc3)CCCC2)c1 ZINC000185828438 463886828 /nfs/dbraw/zinc/88/68/28/463886828.db2.gz VPUJSGYTDFYHPX-QGZVFWFLSA-N 1 0 344.415 2.297 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000261908800 463896344 /nfs/dbraw/zinc/89/63/44/463896344.db2.gz PYBNDDHZDYAERP-ZDUSSCGKSA-N 1 0 341.433 2.188 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194641313 463902099 /nfs/dbraw/zinc/90/20/99/463902099.db2.gz GTHFBAAVPDDOJM-ZJUUUORDSA-N 1 0 325.321 2.180 20 5 EEBDRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269201591 463908158 /nfs/dbraw/zinc/90/81/58/463908158.db2.gz XBPVXOXJADCKFU-NEPJUHHUSA-N 1 0 348.359 2.086 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000262055023 463935634 /nfs/dbraw/zinc/93/56/34/463935634.db2.gz RFIIYXKKUFKUJZ-KRWDZBQOSA-N 1 0 332.404 2.006 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000287585922 463935977 /nfs/dbraw/zinc/93/59/77/463935977.db2.gz DXJMBKKDOKLOIE-LLVKDONJSA-N 1 0 331.376 2.164 20 5 EEBDRO CCN(CCO)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186578396 464026463 /nfs/dbraw/zinc/02/64/63/464026463.db2.gz ZUXWNENINLTYIE-NVXWUHKLSA-N 1 0 335.448 2.210 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000178979742 464028282 /nfs/dbraw/zinc/02/82/82/464028282.db2.gz NCHMIVGNKMYGCJ-DOMZBBRYSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H](Nc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262479638 464030739 /nfs/dbraw/zinc/03/07/39/464030739.db2.gz RKQDGJGNLGTAOQ-LBPRGKRZSA-N 1 0 343.387 2.242 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262725301 464039860 /nfs/dbraw/zinc/03/98/60/464039860.db2.gz GYNIOFBXBSCAPF-STQMWFEESA-N 1 0 332.404 2.017 20 5 EEBDRO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645946 464045831 /nfs/dbraw/zinc/04/58/31/464045831.db2.gz KZNIISJAZHWMSP-RDJZCZTQSA-N 1 0 349.431 2.257 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000270171237 464207873 /nfs/dbraw/zinc/20/78/73/464207873.db2.gz AHAARMBZIALRQI-AWEZNQCLSA-N 1 0 340.387 2.306 20 5 EEBDRO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292367884 464210431 /nfs/dbraw/zinc/21/04/31/464210431.db2.gz DCAUQTJXLUIUDC-GFCCVEGCSA-N 1 0 325.384 2.324 20 5 EEBDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237301215 464300753 /nfs/dbraw/zinc/30/07/53/464300753.db2.gz JWBVNUXHDNKGAF-LBPRGKRZSA-N 1 0 331.825 2.287 20 5 EEBDRO CCN1CCO[C@@H](CNc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000284752398 464323545 /nfs/dbraw/zinc/32/35/45/464323545.db2.gz XQWQCCQIEFIUHJ-GJZGRUSLSA-N 1 0 345.403 2.202 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237475383 464325773 /nfs/dbraw/zinc/32/57/73/464325773.db2.gz ZJQIQKKGAVSNBU-WDEREUQCSA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237667681 464361090 /nfs/dbraw/zinc/36/10/90/464361090.db2.gz JIZJLZDRRBBYMV-KGLIPLIRSA-N 1 0 334.420 2.339 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000271783423 464384108 /nfs/dbraw/zinc/38/41/08/464384108.db2.gz VVMMTBAABZIMEF-GFCCVEGCSA-N 1 0 349.412 2.136 20 5 EEBDRO [NH3+]C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237854283 464390709 /nfs/dbraw/zinc/39/07/09/464390709.db2.gz YSGSJJGEJOACMT-UHFFFAOYSA-N 1 0 332.385 2.282 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264636472 464403568 /nfs/dbraw/zinc/40/35/68/464403568.db2.gz VAZOXJCTQIMBCE-QGZVFWFLSA-N 1 0 346.431 2.407 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238131190 464433802 /nfs/dbraw/zinc/43/38/02/464433802.db2.gz ZPVCNLYYMUKOPS-QGZVFWFLSA-N 1 0 340.383 2.010 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000189127385 464438708 /nfs/dbraw/zinc/43/87/08/464438708.db2.gz BPJPKDWDMDLXSK-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000285192332 464482135 /nfs/dbraw/zinc/48/21/35/464482135.db2.gz DWGJRRLPFRSGHW-LLVKDONJSA-N 1 0 343.374 2.150 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCC1 ZINC000181877282 464534545 /nfs/dbraw/zinc/53/45/45/464534545.db2.gz XVUIKWUUOWPHNQ-UHFFFAOYSA-N 1 0 349.387 2.270 20 5 EEBDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285386333 464545291 /nfs/dbraw/zinc/54/52/91/464545291.db2.gz WNTJDKDIKICKHK-XLWVJDPXSA-N 1 0 345.399 2.312 20 5 EEBDRO CS(=O)(=O)CC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000294590637 464545791 /nfs/dbraw/zinc/54/57/91/464545791.db2.gz CSZSQYMJHAJSSR-UHFFFAOYSA-N 1 0 340.445 2.330 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182046755 464560096 /nfs/dbraw/zinc/56/00/96/464560096.db2.gz FZPFGOTXQFQWMO-CQSZACIVSA-N 1 0 335.404 2.388 20 5 EEBDRO CCN(CC[NH3+])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000599919353 468413380 /nfs/dbraw/zinc/41/33/80/468413380.db2.gz UIFOOCJAAJLEIX-UHFFFAOYSA-N 1 0 334.298 2.104 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000281944400 464643995 /nfs/dbraw/zinc/64/39/95/464643995.db2.gz JAJWYNMMJXIYFG-ZBFHGGJFSA-N 1 0 333.388 2.025 20 5 EEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000295054777 464690748 /nfs/dbraw/zinc/69/07/48/464690748.db2.gz BKCDUBZYUIPATP-LLVKDONJSA-N 1 0 339.392 2.023 20 5 EEBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775803 464692553 /nfs/dbraw/zinc/69/25/53/464692553.db2.gz DRIWNEWMMZZDCY-RDJZCZTQSA-N 1 0 349.431 2.159 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000295119099 464711693 /nfs/dbraw/zinc/71/16/93/464711693.db2.gz WNLNCWMFQWKYPB-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC000295142798 464720863 /nfs/dbraw/zinc/72/08/63/464720863.db2.gz LDKPBDYOWTVBIO-SECBINFHSA-N 1 0 329.784 2.278 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)C3CCCCC3)C2)nc1 ZINC000190878475 464737869 /nfs/dbraw/zinc/73/78/69/464737869.db2.gz MQPIDYZANFTPCS-ZBFHGGJFSA-N 1 0 334.420 2.417 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265934593 464740389 /nfs/dbraw/zinc/74/03/89/464740389.db2.gz FQFUPVAQKJTCPF-CZUORRHYSA-N 1 0 344.415 2.348 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000282548459 464860754 /nfs/dbraw/zinc/86/07/54/464860754.db2.gz SELHSHVBFAPKRS-HNNXBMFYSA-N 1 0 337.395 2.278 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000176864926 464870523 /nfs/dbraw/zinc/87/05/23/464870523.db2.gz WZLXUVBDBUUXDH-FDMDGMSGSA-N 1 0 335.404 2.081 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286352052 464888256 /nfs/dbraw/zinc/88/82/56/464888256.db2.gz WNPZARSIYBQCSR-FUNVUKJBSA-N 1 0 333.388 2.301 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339765999 465498707 /nfs/dbraw/zinc/49/87/07/465498707.db2.gz ZKPPJVHMYDLGAJ-SJORKVTESA-N 1 0 336.388 2.013 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000286617015 464979979 /nfs/dbraw/zinc/97/99/79/464979979.db2.gz RWCZZMIAFVHPMD-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286649654 464991131 /nfs/dbraw/zinc/99/11/31/464991131.db2.gz WUSHDZQVEMJXTJ-UKRRQHHQSA-N 1 0 332.404 2.363 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000295903861 465000367 /nfs/dbraw/zinc/00/03/67/465000367.db2.gz GTRJNTHKIWUVRL-DLBZAZTESA-N 1 0 342.399 2.379 20 5 EEBDRO COC(=O)c1cnc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000276617429 465004030 /nfs/dbraw/zinc/00/40/30/465004030.db2.gz UBGWZZDVDUZAES-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000593909683 468429634 /nfs/dbraw/zinc/42/96/34/468429634.db2.gz KHCSKXIJMFTECJ-CQSZACIVSA-N 1 0 334.420 2.211 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000356459425 465395147 /nfs/dbraw/zinc/39/51/47/465395147.db2.gz MPQWAHYWTFRUKF-AWEZNQCLSA-N 1 0 349.435 2.057 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339726251 465470590 /nfs/dbraw/zinc/47/05/90/465470590.db2.gz UCERNFLHJASQCO-INIZCTEOSA-N 1 0 335.404 2.228 20 5 EEBDRO Cc1cc(N2C[C@@H](O)[C@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954149 465509436 /nfs/dbraw/zinc/50/94/36/465509436.db2.gz JTOHWOIPXOPIKH-CHWSQXEVSA-N 1 0 333.310 2.033 20 5 EEBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353044078 465599324 /nfs/dbraw/zinc/59/93/24/465599324.db2.gz DHKUFMXDJLMIKE-UHFFFAOYSA-N 1 0 339.351 2.371 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330567881 465710339 /nfs/dbraw/zinc/71/03/39/465710339.db2.gz BOULEDDORWNNJZ-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000338056220 465787007 /nfs/dbraw/zinc/78/70/07/465787007.db2.gz GKDSBOLMLDBLDY-ZFWWWQNUSA-N 1 0 346.431 2.404 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000348953142 465888720 /nfs/dbraw/zinc/88/87/20/465888720.db2.gz XWLJPEWKKTVWEQ-HNNXBMFYSA-N 1 0 333.388 2.085 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000548748970 468466116 /nfs/dbraw/zinc/46/61/16/468466116.db2.gz VBUFERCYQUOGDA-AWEZNQCLSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000353535678 465960168 /nfs/dbraw/zinc/96/01/68/465960168.db2.gz WNYRHXPRZMYKOS-KMFMINBZSA-N 1 0 343.431 2.490 20 5 EEBDRO Cn1cc(-c2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000366835931 465963088 /nfs/dbraw/zinc/96/30/88/465963088.db2.gz CDYIQSBVTNBBCC-UHFFFAOYSA-N 1 0 338.371 2.118 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000569256397 468465356 /nfs/dbraw/zinc/46/53/56/468465356.db2.gz NKDHIGJQDWLJFL-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO Cc1cccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000353806589 466165063 /nfs/dbraw/zinc/16/50/63/466165063.db2.gz XXBDALJWAXVSBI-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO C[NH+](C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000353840365 466188160 /nfs/dbraw/zinc/18/81/60/466188160.db2.gz AWSQYFYCJLOTSP-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000331727296 466221380 /nfs/dbraw/zinc/22/13/80/466221380.db2.gz NXXOQFJWFFPRNU-PBHICJAKSA-N 1 0 345.403 2.083 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)(CO)CC3)o2)cc1 ZINC000597204315 468479245 /nfs/dbraw/zinc/47/92/45/468479245.db2.gz AEAJIIIBTYZKCS-UHFFFAOYSA-N 1 0 332.356 2.174 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349785899 466241004 /nfs/dbraw/zinc/24/10/04/466241004.db2.gz WASHIVOCGCHIKP-ZDUSSCGKSA-N 1 0 343.449 2.219 20 5 EEBDRO Cn1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000340714572 466283821 /nfs/dbraw/zinc/28/38/21/466283821.db2.gz UROZTFJVQBAMMQ-OAHLLOKOSA-N 1 0 342.399 2.328 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000372327768 466304902 /nfs/dbraw/zinc/30/49/02/466304902.db2.gz XYQMJRXIHUAPQO-QWHCGFSZSA-N 1 0 340.383 2.500 20 5 EEBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331940771 466316687 /nfs/dbraw/zinc/31/66/87/466316687.db2.gz LWYOFLABSHINRH-WFASDCNBSA-N 1 0 336.388 2.444 20 5 EEBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000358060513 466422326 /nfs/dbraw/zinc/42/23/26/466422326.db2.gz UEHCYHYVUQWNQX-FQEVSTJZSA-N 1 0 335.407 2.184 20 5 EEBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332344217 466517768 /nfs/dbraw/zinc/51/77/68/466517768.db2.gz XRPBOIKTPJEOSX-XHBSWPGZSA-N 1 0 336.388 2.443 20 5 EEBDRO COc1ccc(CC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591651667 468498200 /nfs/dbraw/zinc/49/82/00/468498200.db2.gz JLVQGOUXHBKRGR-ZDUSSCGKSA-N 1 0 347.415 2.137 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1 ZINC000347352016 466584578 /nfs/dbraw/zinc/58/45/78/466584578.db2.gz XMPLUHYQTXGYGU-KGLIPLIRSA-N 1 0 348.428 2.292 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c1 ZINC000347352018 466585540 /nfs/dbraw/zinc/58/55/40/466585540.db2.gz XMPLUHYQTXGYGU-ZIAGYGMSSA-N 1 0 348.428 2.292 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591685960 468503304 /nfs/dbraw/zinc/50/33/04/468503304.db2.gz DQYYLWTZSWSLPR-UWVGGRQHSA-N 1 0 327.381 2.137 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccn1C1CC[NH2+]CC1 ZINC000324808326 466649963 /nfs/dbraw/zinc/64/99/63/466649963.db2.gz RPIKMMQLWMPVMK-UHFFFAOYSA-N 1 0 328.372 2.251 20 5 EEBDRO Cc1cc(NC(=O)C23CCC[NH+]2CCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000415437311 466679417 /nfs/dbraw/zinc/67/94/17/466679417.db2.gz BVJCOKDGMUXQPB-UHFFFAOYSA-N 1 0 340.383 2.440 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000423220216 466698528 /nfs/dbraw/zinc/69/85/28/466698528.db2.gz VBOFYUDILSUSSD-CZUORRHYSA-N 1 0 336.436 2.441 20 5 EEBDRO Cc1c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cccc1[N+](=O)[O-] ZINC000373226238 466734038 /nfs/dbraw/zinc/73/40/38/466734038.db2.gz CEMFEMKFRKJGPO-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373405229 466793190 /nfs/dbraw/zinc/79/31/90/466793190.db2.gz NOKARFFRVFSSDY-STQMWFEESA-N 1 0 333.388 2.350 20 5 EEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719270 466812541 /nfs/dbraw/zinc/81/25/41/466812541.db2.gz FAYWQXJVNLXXHS-ZDUSSCGKSA-N 1 0 331.376 2.707 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417711155 466915701 /nfs/dbraw/zinc/91/57/01/466915701.db2.gz DSKKQSJGQXXCLA-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000373779302 466918350 /nfs/dbraw/zinc/91/83/50/466918350.db2.gz XSTNLMUTBARGHI-QILLFSRXSA-N 1 0 349.431 2.287 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000373811711 466928501 /nfs/dbraw/zinc/92/85/01/466928501.db2.gz FVKHJVCMHNSSEJ-YOEHRIQHSA-N 1 0 349.387 2.089 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424031512 466957483 /nfs/dbraw/zinc/95/74/83/466957483.db2.gz JJHJQHCXJICPST-UHFFFAOYSA-N 1 0 329.784 2.085 20 5 EEBDRO O=C1NCCN1[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370707971 466974297 /nfs/dbraw/zinc/97/42/97/466974297.db2.gz KZHRVIRTGKIFLJ-GFCCVEGCSA-N 1 0 338.795 2.238 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377755719 467133668 /nfs/dbraw/zinc/13/36/68/467133668.db2.gz KCVUQAMHFHQNKP-ZDUSSCGKSA-N 1 0 333.388 2.065 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418754624 467155125 /nfs/dbraw/zinc/15/51/25/467155125.db2.gz BHPUDCZUVVVJGC-OCCSQVGLSA-N 1 0 332.404 2.396 20 5 EEBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450947765 467213330 /nfs/dbraw/zinc/21/33/30/467213330.db2.gz CKYAPJQSOZDDHG-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429579318 467350797 /nfs/dbraw/zinc/35/07/97/467350797.db2.gz LLSGKMKBHLTPLJ-QWRGUYRKSA-N 1 0 335.360 2.382 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420359280 467377840 /nfs/dbraw/zinc/37/78/40/467377840.db2.gz KGHKQUBFOVXZOL-MRXNPFEDSA-N 1 0 334.420 2.339 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN1CCCO)CCC2 ZINC000453250400 467469201 /nfs/dbraw/zinc/46/92/01/467469201.db2.gz ACUUZJPPOAULIE-SJLPKXTDSA-N 1 0 333.432 2.409 20 5 EEBDRO CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430951483 467480500 /nfs/dbraw/zinc/48/05/00/467480500.db2.gz LTPSDTAJLMQAPA-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449384971 467634852 /nfs/dbraw/zinc/63/48/52/467634852.db2.gz DARLMRLYHIZSKM-RXBGNRNISA-N 1 0 333.432 2.435 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449573730 467664677 /nfs/dbraw/zinc/66/46/77/467664677.db2.gz TWCZMJZDORHNGO-SECBINFHSA-N 1 0 344.209 2.143 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449609916 467670444 /nfs/dbraw/zinc/67/04/44/467670444.db2.gz DLIAHSLAIFLBGH-KWQFWETISA-N 1 0 333.360 2.174 20 5 EEBDRO COc1ccc(C[N@H+](CC(C)(C)O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000530939289 468018751 /nfs/dbraw/zinc/01/87/51/468018751.db2.gz ZQYOTNUZOBFYAB-UHFFFAOYSA-N 1 0 338.404 2.355 20 5 EEBDRO CNc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517600596 468090688 /nfs/dbraw/zinc/09/06/88/468090688.db2.gz HCQSPRFNZRQLCO-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO CCCCN(CC)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488776524 468104107 /nfs/dbraw/zinc/10/41/07/468104107.db2.gz OPMVTMMIUNFPQE-UHFFFAOYSA-N 1 0 337.424 2.077 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490302926 468205900 /nfs/dbraw/zinc/20/59/00/468205900.db2.gz VNRBYQBJFZOSGL-HNNXBMFYSA-N 1 0 335.404 2.162 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000550131372 468207949 /nfs/dbraw/zinc/20/79/49/468207949.db2.gz KOLZCFZCRZTHFE-UHFFFAOYSA-N 1 0 344.371 2.015 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000567829203 468218049 /nfs/dbraw/zinc/21/80/49/468218049.db2.gz XBTMLKHSNMWITI-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO Cc1[nH+]c2c(n1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000519997969 468228801 /nfs/dbraw/zinc/22/88/01/468228801.db2.gz RDRQJJBTKRHLBK-UHFFFAOYSA-N 1 0 349.412 2.452 20 5 EEBDRO CCN1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219564 468234429 /nfs/dbraw/zinc/23/44/29/468234429.db2.gz HOCFXUVXSURJOL-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000590402359 468246842 /nfs/dbraw/zinc/24/68/42/468246842.db2.gz CWDBJFKQDYGFHB-FZMZJTMJSA-N 1 0 328.372 2.308 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590522981 468267208 /nfs/dbraw/zinc/26/72/08/468267208.db2.gz QKYBNYQAIUNSLR-LLVKDONJSA-N 1 0 344.371 2.015 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1C ZINC000591770251 468518630 /nfs/dbraw/zinc/51/86/30/468518630.db2.gz QOPRVMRZPKNRCB-MRXNPFEDSA-N 1 0 331.372 2.136 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC12CCC[NH+]1CCC2 ZINC000597587522 468608708 /nfs/dbraw/zinc/60/87/08/468608708.db2.gz VTXDXURUYPZXAT-UHFFFAOYSA-N 1 0 335.429 2.432 20 5 EEBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594520662 468614687 /nfs/dbraw/zinc/61/46/87/468614687.db2.gz KHPJJHCDMCEUHC-DOMZBBRYSA-N 1 0 327.388 2.248 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)n2)c(F)c1 ZINC000600771377 468653203 /nfs/dbraw/zinc/65/32/03/468653203.db2.gz LHFIZEMCDZNXHZ-NSHDSACASA-N 1 0 344.306 2.394 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592255140 468665347 /nfs/dbraw/zinc/66/53/47/468665347.db2.gz MYOZJQRXTZEDSH-OLZOCXBDSA-N 1 0 332.404 2.029 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253546 468665383 /nfs/dbraw/zinc/66/53/83/468665383.db2.gz IUXOCXKWPGTCPF-CABCVRRESA-N 1 0 347.415 2.212 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592473442 468705627 /nfs/dbraw/zinc/70/56/27/468705627.db2.gz KTIYXZMWHRIVIF-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594993310 468739960 /nfs/dbraw/zinc/73/99/60/468739960.db2.gz NTBBZSJXBHAZTA-QGZVFWFLSA-N 1 0 349.431 2.336 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCOC(C)(C)C1 ZINC000595009175 468743034 /nfs/dbraw/zinc/74/30/34/468743034.db2.gz ASBIDVDYUUPFBJ-ZDUSSCGKSA-N 1 0 337.420 2.365 20 5 EEBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595052462 468749822 /nfs/dbraw/zinc/74/98/22/468749822.db2.gz XJOSSNVAQHHQLX-VIFPVBQESA-N 1 0 329.282 2.383 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601144162 468759178 /nfs/dbraw/zinc/75/91/78/468759178.db2.gz PUTOGOOPEMCHAE-GFCCVEGCSA-N 1 0 345.281 2.088 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222773 468787959 /nfs/dbraw/zinc/78/79/59/468787959.db2.gz XVMDWGBQNRZKEY-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO Cc1cnccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584050595 468792669 /nfs/dbraw/zinc/79/26/69/468792669.db2.gz BDNDYWSVYIQAOX-UHFFFAOYSA-N 1 0 327.388 2.058 20 5 EEBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595258499 468795236 /nfs/dbraw/zinc/79/52/36/468795236.db2.gz OHXZACABCGGVTE-CZUORRHYSA-N 1 0 335.404 2.340 20 5 EEBDRO CC(C)O[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053205 468852004 /nfs/dbraw/zinc/85/20/04/468852004.db2.gz QENYCUQXQWEFGN-WBVHZDCISA-N 1 0 338.404 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595706955 468963829 /nfs/dbraw/zinc/96/38/29/468963829.db2.gz ZOWFLAHAXGMLBM-CZUORRHYSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000598716568 468972314 /nfs/dbraw/zinc/97/23/14/468972314.db2.gz NFXGMXCHRMZTNU-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO CO[C@@](C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602675382 469004021 /nfs/dbraw/zinc/00/40/21/469004021.db2.gz HYVOBIYTWJURHJ-KRWDZBQOSA-N 1 0 334.420 2.363 20 5 EEBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602685328 469009302 /nfs/dbraw/zinc/00/93/02/469009302.db2.gz GDKGGKNXHYSZFT-RQJHMYQMSA-N 1 0 348.222 2.162 20 5 EEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602697267 469018179 /nfs/dbraw/zinc/01/81/79/469018179.db2.gz NNGSHILHJMXICS-ZFWWWQNUSA-N 1 0 336.436 2.345 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595870096 469053876 /nfs/dbraw/zinc/05/38/76/469053876.db2.gz GAYUMLKJLIDAFW-SUMWQHHRSA-N 1 0 335.404 2.182 20 5 EEBDRO CCSC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000596065194 469135764 /nfs/dbraw/zinc/13/57/64/469135764.db2.gz GEMNGPNZDFDRLP-GFCCVEGCSA-N 1 0 326.418 2.210 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000602889422 469147326 /nfs/dbraw/zinc/14/73/26/469147326.db2.gz RFJYIHKGGWVUFC-DLBZAZTESA-N 1 0 344.415 2.198 20 5 EEBDRO COc1ccc([C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)cn1 ZINC000602916963 469164000 /nfs/dbraw/zinc/16/40/00/469164000.db2.gz JITRAUVDKBRBEX-INIZCTEOSA-N 1 0 331.376 2.244 20 5 EEBDRO C[C@@]1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]C1 ZINC000596120144 469164853 /nfs/dbraw/zinc/16/48/53/469164853.db2.gz GGEHVHWWGLZUFD-CYBMUJFWSA-N 1 0 330.291 2.070 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CCC[C@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000589051792 469189937 /nfs/dbraw/zinc/18/99/37/469189937.db2.gz GLIWGMKZQOFUSZ-XJKSGUPXSA-N 1 0 343.383 2.349 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611205146 469191357 /nfs/dbraw/zinc/19/13/57/469191357.db2.gz JPINBAUHFJIUMO-BBRMVZONSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589113793 469197277 /nfs/dbraw/zinc/19/72/77/469197277.db2.gz SRBIEHGEDSKSIV-TXEJJXNPSA-N 1 0 342.827 2.366 20 5 EEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[NH+](C)C ZINC000596430155 469263662 /nfs/dbraw/zinc/26/36/62/469263662.db2.gz JSEOKZQHYOKELM-GFCCVEGCSA-N 1 0 340.399 2.323 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599552027 469291618 /nfs/dbraw/zinc/29/16/18/469291618.db2.gz CUBTURWUJZNGCT-GFCCVEGCSA-N 1 0 330.331 2.456 20 5 EEBDRO C[C@@H](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000596544757 469298056 /nfs/dbraw/zinc/29/80/56/469298056.db2.gz QAXDNUKCVDGMCD-NSHDSACASA-N 1 0 342.827 2.430 20 5 EEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587014 469301006 /nfs/dbraw/zinc/30/10/06/469301006.db2.gz KGUPLAHXGTXUDU-OLZOCXBDSA-N 1 0 338.408 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000602511908 469344613 /nfs/dbraw/zinc/34/46/13/469344613.db2.gz VMKVHXRDBPYBPL-UHFFFAOYSA-N 1 0 329.404 2.288 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCn3ccnc3)CC2)cn1 ZINC000602519191 469347350 /nfs/dbraw/zinc/34/73/50/469347350.db2.gz USMFDLJCGAXOHQ-UHFFFAOYSA-N 1 0 344.419 2.225 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602542144 469354560 /nfs/dbraw/zinc/35/45/60/469354560.db2.gz ULXDQPMCKJQBCE-AAEUAGOBSA-N 1 0 345.321 2.123 20 5 EEBDRO C[C@@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000602553514 469358951 /nfs/dbraw/zinc/35/89/51/469358951.db2.gz KRRVPYOWTBCBKH-OCCSQVGLSA-N 1 0 332.404 2.065 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNc3ccccn3)CC2)cn1 ZINC000602591684 469375613 /nfs/dbraw/zinc/37/56/13/469375613.db2.gz BRWATUPMNQIIPO-UHFFFAOYSA-N 1 0 342.403 2.055 20 5 EEBDRO CN(C)c1cc[nH+]c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000612347263 469443793 /nfs/dbraw/zinc/44/37/93/469443793.db2.gz WPCWCJSCWXOWCW-UHFFFAOYSA-N 1 0 330.344 2.463 20 5 EEBDRO COc1c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000619441650 469606795 /nfs/dbraw/zinc/60/67/95/469606795.db2.gz DSPKVTVCMKCKHJ-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1cc2c(cc1OC)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000619465660 469616189 /nfs/dbraw/zinc/61/61/89/469616189.db2.gz AZTFIJIPEMACMQ-CQSZACIVSA-N 1 0 332.360 2.086 20 5 EEBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619717210 469668967 /nfs/dbraw/zinc/66/89/67/469668967.db2.gz JYFUCEZVNHMLON-ZDUSSCGKSA-N 1 0 349.387 2.341 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000609045844 469889189 /nfs/dbraw/zinc/88/91/89/469889189.db2.gz RNCVPXNHCGNWHR-OAHLLOKOSA-N 1 0 347.415 2.233 20 5 EEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000609346098 469921584 /nfs/dbraw/zinc/92/15/84/469921584.db2.gz LYXOXGSAPDLBRA-LBPRGKRZSA-N 1 0 347.371 2.024 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386057 469924596 /nfs/dbraw/zinc/92/45/96/469924596.db2.gz JWMUUEPPURICOI-UKRRQHHQSA-N 1 0 334.420 2.384 20 5 EEBDRO CC1([NH3+])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000646995217 470800622 /nfs/dbraw/zinc/80/06/22/470800622.db2.gz LRSAFCNVTJNQHH-UHFFFAOYSA-N 1 0 349.434 2.495 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000587972308 485591512 /nfs/dbraw/zinc/59/15/12/485591512.db2.gz KRAYUFZTIWVEKQ-LLVKDONJSA-N 1 0 334.376 2.205 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000171692552 527735275 /nfs/dbraw/zinc/73/52/75/527735275.db2.gz LXJGUZFKRZNBGQ-CYBMUJFWSA-N 1 0 334.420 2.384 20 5 EEBDRO CCC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178671794 528217205 /nfs/dbraw/zinc/21/72/05/528217205.db2.gz DFIAMMCYXHTTEZ-KRWDZBQOSA-N 1 0 348.447 2.190 20 5 EEBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000179682788 528239640 /nfs/dbraw/zinc/23/96/40/528239640.db2.gz VNHMHJRPDLJEKI-CZUORRHYSA-N 1 0 348.403 2.290 20 5 EEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175621353 529118279 /nfs/dbraw/zinc/11/82/79/529118279.db2.gz QYAMEIYSJHZCNR-KRWDZBQOSA-N 1 0 349.431 2.047 20 5 EEBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000425489001 535232809 /nfs/dbraw/zinc/23/28/09/535232809.db2.gz XUTISJRVAIUOPD-MRXNPFEDSA-N 1 0 334.420 2.195 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264188768 535524600 /nfs/dbraw/zinc/52/46/00/535524600.db2.gz NYJMKZGGMHWHHX-UHFFFAOYSA-N 1 0 341.383 2.164 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459765487 535944391 /nfs/dbraw/zinc/94/43/91/535944391.db2.gz CUWFOULRKLWLGO-YPMHNXCESA-N 1 0 327.768 2.344 20 5 EEBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000459767796 536887390 /nfs/dbraw/zinc/88/73/90/536887390.db2.gz YCAROQLITCIBRP-OAHLLOKOSA-N 1 0 346.383 2.478 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccn2)cc1[N+](=O)[O-] ZINC000775550283 577439356 /nfs/dbraw/zinc/43/93/56/577439356.db2.gz YEOWGUJHJVVJOZ-CYBMUJFWSA-N 1 0 328.372 2.265 20 5 EEBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581047 577463106 /nfs/dbraw/zinc/46/31/06/577463106.db2.gz CZRPIZMVRCZLLY-PBHICJAKSA-N 1 0 349.431 2.112 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588131 577463400 /nfs/dbraw/zinc/46/34/00/577463400.db2.gz LBRPDBNIOVZZEN-CRAIPNDOSA-N 1 0 333.432 2.292 20 5 EEBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009584 577470906 /nfs/dbraw/zinc/47/09/06/577470906.db2.gz JAJWCPZJVHAGMB-SKDRFNHKSA-N 1 0 349.309 2.479 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000768806121 577562898 /nfs/dbraw/zinc/56/28/98/577562898.db2.gz WVOWRACGPFAMKX-MNOVXSKESA-N 1 0 347.462 2.198 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000761130250 577677596 /nfs/dbraw/zinc/67/75/96/577677596.db2.gz QIJHUTPYRQPQAQ-LBPRGKRZSA-N 1 0 330.388 2.219 20 5 EEBDRO O=C1NCCN1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507892 577685114 /nfs/dbraw/zinc/68/51/14/577685114.db2.gz ZQILICZPAARBER-LBPRGKRZSA-N 1 0 338.795 2.238 20 5 EEBDRO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341980 577804766 /nfs/dbraw/zinc/80/47/66/577804766.db2.gz OSJNEWAQEGFJSM-QMHKHESXSA-N 1 0 334.397 2.155 20 5 EEBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742393282 577872274 /nfs/dbraw/zinc/87/22/74/577872274.db2.gz JLWJNFOFWQDOJV-UHFFFAOYSA-N 1 0 348.403 2.329 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000742425317 577872867 /nfs/dbraw/zinc/87/28/67/577872867.db2.gz CZMQVHYXTDTJDY-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000743399085 577884657 /nfs/dbraw/zinc/88/46/57/577884657.db2.gz PGKFGOJNLLJLGV-AWEZNQCLSA-N 1 0 344.419 2.084 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)(C(F)(F)F)CC1 ZINC000891205309 676170556 /nfs/dbraw/zinc/17/05/56/676170556.db2.gz ANRLFCMNHLNMJK-UHFFFAOYSA-N 1 0 348.325 2.080 20 5 EEBDRO CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021057207 675700786 /nfs/dbraw/zinc/70/07/86/675700786.db2.gz LAXOWHZQLIOPBZ-SHTZXODSSA-N 1 0 342.399 2.467 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3CC=CC3)c2)CC1 ZINC000934037356 677772008 /nfs/dbraw/zinc/77/20/08/677772008.db2.gz FIAUXNYQQZMMIK-UHFFFAOYSA-N 1 0 345.403 2.187 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC001022868923 678673838 /nfs/dbraw/zinc/67/38/38/678673838.db2.gz BXROPMZCLIANEF-OKILXGFUSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nccs1 ZINC001022881583 678709264 /nfs/dbraw/zinc/70/92/64/678709264.db2.gz YBQOAWGQVSUARC-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892603230 681932446 /nfs/dbraw/zinc/93/24/46/681932446.db2.gz RWDLKKCDFAZMMD-YOWGUQMCSA-N 1 0 332.404 2.267 20 5 EEBDRO C[C@@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892674242 682296145 /nfs/dbraw/zinc/29/61/45/682296145.db2.gz UVYXMZBLMKFMFG-VXGBXAGGSA-N 1 0 330.388 2.341 20 5 EEBDRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892867069 683149797 /nfs/dbraw/zinc/14/97/97/683149797.db2.gz VKACYRGOUOPBAR-CQSZACIVSA-N 1 0 327.812 2.449 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1ccccc1 ZINC001025656155 683221985 /nfs/dbraw/zinc/22/19/85/683221985.db2.gz FXIFMVZUXYSIES-PIIMJCKOSA-N 1 0 337.379 2.455 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000894955372 683423504 /nfs/dbraw/zinc/42/35/04/683423504.db2.gz PJBRXGYXYAGYFL-UHFFFAOYSA-N 1 0 329.347 2.425 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)[C@H]1C[C@H]2C[C@H]2C1 ZINC001025962964 683691021 /nfs/dbraw/zinc/69/10/21/683691021.db2.gz NKNFBAVTAOHTDU-HIIFRAMHSA-N 1 0 341.411 2.187 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000895566165 684647768 /nfs/dbraw/zinc/64/77/68/684647768.db2.gz CBPYCDJZKZGUAR-KBPBESRZSA-N 1 0 349.431 2.441 20 5 EEBDRO CC1(C)CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000898034186 691856923 /nfs/dbraw/zinc/85/69/23/691856923.db2.gz KCDDEYUABCJDIO-UHFFFAOYSA-N 1 0 347.463 2.280 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccon1 ZINC001034597948 1196427379 /nfs/dbraw/zinc/42/73/79/1196427379.db2.gz SZZFJGCKGWNDKL-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000865455519 1198226820 /nfs/dbraw/zinc/22/68/20/1198226820.db2.gz BOGDWDPYHOOKNY-GASCZTMLSA-N 1 0 337.379 2.481 20 5 EEBDRO Cc1c(C[NH2+]Cc2cccnc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000873013240 1198474484 /nfs/dbraw/zinc/47/44/84/1198474484.db2.gz XSXLQMJIIPFOCC-UHFFFAOYSA-N 1 0 342.399 2.425 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncsc1C1CC1 ZINC001133776722 1199034938 /nfs/dbraw/zinc/03/49/38/1199034938.db2.gz JMQYIGHPXIXKFR-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000877240552 1199886773 /nfs/dbraw/zinc/88/67/73/1199886773.db2.gz BBWJGYOVUCFQDH-ZDUSSCGKSA-N 1 0 331.294 2.061 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877346610 1199910356 /nfs/dbraw/zinc/91/03/56/1199910356.db2.gz SMSLUSPKNIAZCT-OAHLLOKOSA-N 1 0 325.368 2.348 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H]([NH+]3CCCC3)C2)o1 ZINC000878042098 1200229015 /nfs/dbraw/zinc/22/90/15/1200229015.db2.gz VFZZETYLURPEEJ-ZDUSSCGKSA-N 1 0 343.387 2.315 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000870974333 1200983747 /nfs/dbraw/zinc/98/37/47/1200983747.db2.gz KEYTYVNOKOGQKU-CLLJXQQHSA-N 1 0 340.383 2.403 20 5 EEBDRO CC1(C)CC[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000866699574 1201583129 /nfs/dbraw/zinc/58/31/29/1201583129.db2.gz MMEAUYHRLDHCLX-UHFFFAOYSA-N 1 0 331.376 2.219 20 5 EEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000886600120 1202530659 /nfs/dbraw/zinc/53/06/59/1202530659.db2.gz NHHBICZDBQPHII-OAHLLOKOSA-N 1 0 337.395 2.465 20 5 EEBDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000887055708 1204190969 /nfs/dbraw/zinc/19/09/69/1204190969.db2.gz HNWSAEBDCSGBKP-UFBFGSQYSA-N 1 0 344.209 2.347 20 5 EEBDRO Cc1cc(N2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001095418365 1205721866 /nfs/dbraw/zinc/72/18/66/1205721866.db2.gz HAQAIBBCQWYQMZ-UHFFFAOYSA-N 1 0 348.447 2.328 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095427439 1205736883 /nfs/dbraw/zinc/73/68/83/1205736883.db2.gz BCUJJLZHZHOVFB-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2C1 ZINC000932528284 1207624010 /nfs/dbraw/zinc/62/40/10/1207624010.db2.gz YPHFSBPJZZNOHB-UHFFFAOYSA-N 1 0 344.371 2.249 20 5 EEBDRO CCC1CN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934039242 1207890003 /nfs/dbraw/zinc/89/00/03/1207890003.db2.gz CVGBBZUJRJTJBY-UHFFFAOYSA-N 1 0 347.419 2.220 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000420399232 1217529340 /nfs/dbraw/zinc/52/93/40/1217529340.db2.gz HRCFAAWWUMBMEI-CXAGYDPISA-N 1 0 332.404 2.058 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000796450886 1218209580 /nfs/dbraw/zinc/20/95/80/1218209580.db2.gz YGYVGAXJWCNGQZ-KBPBESRZSA-N 1 0 348.321 2.408 20 5 EEBDRO COc1cc(CNC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000796579824 1221430371 /nfs/dbraw/zinc/43/03/71/1221430371.db2.gz ITKJHROQNXITBR-UHFFFAOYSA-N 1 0 339.367 2.233 20 5 EEBDRO CC1CC[NH+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119453734 1229523285 /nfs/dbraw/zinc/52/32/85/1229523285.db2.gz QNZYRKHFAOQVSS-UHFFFAOYSA-N 1 0 347.462 2.057 20 5 EEBDRO CC(C)(C)C(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000133602876 1249127007 /nfs/dbraw/zinc/12/70/07/1249127007.db2.gz VVIHGADJEMRDRG-UHFFFAOYSA-N 1 0 348.447 2.316 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900588154 1234521885 /nfs/dbraw/zinc/52/18/85/1234521885.db2.gz VTDVWAMNTYQISH-UHFFFAOYSA-N 1 0 347.774 2.038 20 5 EEBDRO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048648457 1238186954 /nfs/dbraw/zinc/18/69/54/1238186954.db2.gz HUYVXMLOJUMQSY-GASCZTMLSA-N 1 0 341.367 2.392 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000903229251 1240052567 /nfs/dbraw/zinc/05/25/67/1240052567.db2.gz WDFYKHQJIWIFBV-CQSZACIVSA-N 1 0 337.420 2.366 20 5 EEBDRO COc1cc(COC(=O)[C@H](C(C)C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000803493408 1240521477 /nfs/dbraw/zinc/52/14/77/1240521477.db2.gz MKMYVOYGPYBSQI-AWEZNQCLSA-N 1 0 328.340 2.372 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097038301 1243605285 /nfs/dbraw/zinc/60/52/85/1243605285.db2.gz VRNCIIYRVRIRGT-JOCQHMNTSA-N 1 0 338.383 2.133 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097030372 1243637522 /nfs/dbraw/zinc/63/75/22/1243637522.db2.gz ZAFCBMMKEVASQP-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1nc(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097204968 1243821307 /nfs/dbraw/zinc/82/13/07/1243821307.db2.gz HRZVXOPQJXRBRJ-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626971 1278154274 /nfs/dbraw/zinc/15/42/74/1278154274.db2.gz PQZRCKMKJIBZAQ-IXBGWNDUSA-N 1 0 329.356 2.322 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850729870 1277317680 /nfs/dbraw/zinc/31/76/80/1277317680.db2.gz NCMGOFOTPFXSRU-ZETCQYMHSA-N 1 0 331.170 2.087 20 5 EEBDRO CC1(C)CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000104658097 1285339754 /nfs/dbraw/zinc/33/97/54/1285339754.db2.gz ASKPTNQIQASSDL-UHFFFAOYSA-N 1 0 329.404 2.345 20 5 EEBDRO CC1(C)CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000104658139 1285341914 /nfs/dbraw/zinc/34/19/14/1285341914.db2.gz ZYRLTVPOORQWIK-UHFFFAOYSA-N 1 0 329.404 2.345 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104857408 1285511568 /nfs/dbraw/zinc/51/15/68/1285511568.db2.gz PUULILBKCOIYCL-CYBMUJFWSA-N 1 0 334.420 2.337 20 5 EEBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000852076315 1291983894 /nfs/dbraw/zinc/98/38/94/1291983894.db2.gz RBTPDOYFWPHCET-QGZVFWFLSA-N 1 0 345.355 2.208 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852899505 1292228171 /nfs/dbraw/zinc/22/81/71/1292228171.db2.gz KLRUPBQXWMTGRG-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3cccc(Br)c3[N+](=O)[O-])C[C@H]2C1 ZINC000856746995 1293618348 /nfs/dbraw/zinc/61/83/48/1293618348.db2.gz HZDDJZPOLJMAQL-AOOOYVTPSA-N 1 0 326.194 2.355 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857764243 1293910819 /nfs/dbraw/zinc/91/08/19/1293910819.db2.gz MZCIQHVIQZFHOZ-SNVBAGLBSA-N 1 0 343.330 2.152 20 5 EEBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001217955488 1297535011 /nfs/dbraw/zinc/53/50/11/1297535011.db2.gz CCZOQPRBLJUGFP-OTSSQURYSA-N 1 0 348.140 2.329 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)cc1I ZINC001217961587 1297536448 /nfs/dbraw/zinc/53/64/48/1297536448.db2.gz FIUVICYOCZNHPM-SECBINFHSA-N 1 0 348.140 2.330 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218860525 1297838077 /nfs/dbraw/zinc/83/80/77/1297838077.db2.gz ZKWLQNMOJMCJEQ-MNOVXSKESA-N 1 0 339.374 2.251 20 5 EEBDRO Nc1ccc2n(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)c3ccccc3cc-2c1=O ZINC001219256721 1297965882 /nfs/dbraw/zinc/96/58/82/1297965882.db2.gz XKHDDQROWIGFSC-OCCSQVGLSA-N 1 0 339.370 2.276 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)OCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001223653676 1300210929 /nfs/dbraw/zinc/21/09/29/1300210929.db2.gz AEWIOMHKQDQIOB-LBPRGKRZSA-O 1 0 325.433 2.435 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001224853632 1300758917 /nfs/dbraw/zinc/75/89/17/1300758917.db2.gz WRQPBOCQFSXQJE-KBPBESRZSA-N 1 0 331.477 2.470 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001226068514 1301251389 /nfs/dbraw/zinc/25/13/89/1301251389.db2.gz SFMXCOYEVCMONV-NSHDSACASA-N 1 0 330.406 2.107 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1OC ZINC001226437787 1301412406 /nfs/dbraw/zinc/41/24/06/1301412406.db2.gz BMEDIMWNCCGNOT-LLVKDONJSA-N 1 0 340.376 2.499 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3C)C[C@H]1[N@@H+]2C ZINC001226992542 1301642621 /nfs/dbraw/zinc/64/26/21/1301642621.db2.gz LTQZNIVXOZCNMP-LJIGWXMPSA-N 1 0 334.372 2.449 20 5 EEBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448056 1301832333 /nfs/dbraw/zinc/83/23/33/1301832333.db2.gz AARKPDYRNIBFCO-CQSZACIVSA-N 1 0 326.352 2.004 20 5 EEBDRO O=[N+]([O-])c1cncnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001228655347 1302363088 /nfs/dbraw/zinc/36/30/88/1302363088.db2.gz QXCHCPZSFRTJJF-OAHLLOKOSA-N 1 0 344.371 2.055 20 5 EEBDRO C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228659063 1302363772 /nfs/dbraw/zinc/36/37/72/1302363772.db2.gz DFYHFKIUXZLXIZ-QWHCGFSZSA-N 1 0 329.360 2.384 20 5 EEBDRO Cc1cc(=O)oc2c1ccc(O[C@H]1C[NH+]3CCC1CC3)c2[N+](=O)[O-] ZINC001229945301 1302994808 /nfs/dbraw/zinc/99/48/08/1302994808.db2.gz WTKXYOOEXCAHGA-AWEZNQCLSA-N 1 0 330.340 2.483 20 5 EEBDRO COCCC[NH+]1CCC(Oc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001231055407 1303602667 /nfs/dbraw/zinc/60/26/67/1303602667.db2.gz IWQYCAYDFJGHEE-UHFFFAOYSA-N 1 0 346.387 2.418 20 5 EEBDRO CCOCCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234319763 1304866580 /nfs/dbraw/zinc/86/65/80/1304866580.db2.gz WURMYFTUBRNKNS-UHFFFAOYSA-N 1 0 337.420 2.350 20 5 EEBDRO CC(=O)Nc1ccc(C(C)=O)c(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001234683037 1305006297 /nfs/dbraw/zinc/00/62/97/1305006297.db2.gz BWAMFSCIDJVBLA-JTQLQIEISA-O 1 0 338.384 2.229 20 5 EEBDRO CCOC(=O)c1nnc(O[C@@H](C)C[N+](C)(C)C)cc1C(F)(F)F ZINC001234833932 1305033939 /nfs/dbraw/zinc/03/39/39/1305033939.db2.gz SMIFOTGJOKDEFA-VIFPVBQESA-N 1 0 336.334 2.146 20 5 EEBDRO CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246205967 1310260591 /nfs/dbraw/zinc/26/05/91/1310260591.db2.gz CMMINVSTLVHXQS-HOCLYGCPSA-N 1 0 349.431 2.101 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1F ZINC000830015639 1314523432 /nfs/dbraw/zinc/52/34/32/1314523432.db2.gz ABPIBHUXTZGJIY-KOLCDFICSA-N 1 0 339.342 2.394 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000842478560 1315713199 /nfs/dbraw/zinc/71/31/99/1315713199.db2.gz KUZXCIWKBYXMAY-WDEREUQCSA-N 1 0 340.811 2.103 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C[NH3+])CC1 ZINC000843344923 1315894549 /nfs/dbraw/zinc/89/45/49/1315894549.db2.gz HBZDEUDDQAQUDN-JTQLQIEISA-N 1 0 340.811 2.246 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000843360566 1315900593 /nfs/dbraw/zinc/90/05/93/1315900593.db2.gz DCJDUPOVUWPHCV-AGUYFDCRSA-N 1 0 332.404 2.268 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000843470865 1315919972 /nfs/dbraw/zinc/91/99/72/1315919972.db2.gz FWWVEIFTHCXJKU-BBRMVZONSA-N 1 0 346.431 2.394 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843486875 1315922181 /nfs/dbraw/zinc/92/21/81/1315922181.db2.gz WUCQOGRTOBHPJO-KBPBESRZSA-N 1 0 346.431 2.123 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000843498888 1315923974 /nfs/dbraw/zinc/92/39/74/1315923974.db2.gz VRQRKKAGQSXEBG-LBPRGKRZSA-N 1 0 336.348 2.059 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2cc(F)ccn2)no1)c1ccccc1[N+](=O)[O-] ZINC001249343309 1317056862 /nfs/dbraw/zinc/05/68/62/1317056862.db2.gz ZNYBLCHVWYFHOB-LLVKDONJSA-N 1 0 329.291 2.421 20 5 EEBDRO Cc1ncsc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155009610 1317418643 /nfs/dbraw/zinc/41/86/43/1317418643.db2.gz HXSFEKIEGUPNDX-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)c2ncnc(Cl)c2c1 ZINC001155039345 1317429484 /nfs/dbraw/zinc/42/94/84/1317429484.db2.gz GGYCSNBLEYKPMF-YUMQZZPRSA-N 1 0 325.731 2.303 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC001155463536 1317607628 /nfs/dbraw/zinc/60/76/28/1317607628.db2.gz XFZXHXRMWYLIHC-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001155624834 1317678916 /nfs/dbraw/zinc/67/89/16/1317678916.db2.gz JARBGMXSOWHQLB-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO COC(=O)CC1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479160 1318084795 /nfs/dbraw/zinc/08/47/95/1318084795.db2.gz QNXYBHOHVMMAOI-UHFFFAOYSA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C(=O)NCc2ccccc21 ZINC001254539987 1318114943 /nfs/dbraw/zinc/11/49/43/1318114943.db2.gz OBUUYGINIVSRLF-PXAZEXFGSA-N 1 0 325.368 2.487 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2N)CC1 ZINC001254567072 1318124492 /nfs/dbraw/zinc/12/44/92/1318124492.db2.gz VYHZSFDSAJZLTF-CQSZACIVSA-N 1 0 341.415 2.325 20 5 EEBDRO O=C1CCC2(CCC([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254576534 1318127934 /nfs/dbraw/zinc/12/79/34/1318127934.db2.gz WZRAXCBQZPEXTR-CSLYMUCUSA-N 1 0 329.400 2.243 20 5 EEBDRO COc1ccc(C[C@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577055 1318127960 /nfs/dbraw/zinc/12/79/60/1318127960.db2.gz BVXKHAYYYRAQJK-IAGOWNOFSA-N 1 0 342.395 2.264 20 5 EEBDRO COc1cccc(C[C@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254579900 1318129106 /nfs/dbraw/zinc/12/91/06/1318129106.db2.gz WVPNJFKWJIOFAN-IAGOWNOFSA-N 1 0 342.395 2.264 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254579988 1318129524 /nfs/dbraw/zinc/12/95/24/1318129524.db2.gz YEZPKULYRGQTRG-INIZCTEOSA-N 1 0 343.383 2.272 20 5 EEBDRO O=C1COc2ccc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2N1 ZINC001254589803 1318137558 /nfs/dbraw/zinc/13/75/58/1318137558.db2.gz RFDMVPLTFYCTBN-AWEZNQCLSA-N 1 0 339.351 2.183 20 5 EEBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612152 1318145082 /nfs/dbraw/zinc/14/50/82/1318145082.db2.gz VKNKWIHBVJKAJB-IAGOWNOFSA-N 1 0 340.383 2.314 20 5 EEBDRO N=C(Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12)SCC[NH3+] ZINC001157136966 1318428967 /nfs/dbraw/zinc/42/89/67/1318428967.db2.gz QVZKHZLDYSJIQI-UHFFFAOYSA-N 1 0 326.769 2.230 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nc1C1C[NH2+]C1 ZINC001157301355 1318554254 /nfs/dbraw/zinc/55/42/54/1318554254.db2.gz GQWFXDHRSAOITG-GXFFZTMASA-N 1 0 347.325 2.318 20 5 EEBDRO COc1cc(N2CCC(n3nccc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256083053 1318643525 /nfs/dbraw/zinc/64/35/25/1318643525.db2.gz MLEFRHABOIIXQE-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO [NH3+][C@H]1CCc2nn(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)cc2C1 ZINC001157987615 1318960990 /nfs/dbraw/zinc/96/09/90/1318960990.db2.gz HIYDHQAEHSVRSW-QMMMGPOBSA-N 1 0 343.721 2.253 20 5 EEBDRO [NH3+]CCc1cnn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c1 ZINC001158104937 1319016728 /nfs/dbraw/zinc/01/67/28/1319016728.db2.gz JLTQYXRILKJVQR-UHFFFAOYSA-N 1 0 344.762 2.392 20 5 EEBDRO C[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C[C@@H](C)[NH2+]1 ZINC001158185925 1319064381 /nfs/dbraw/zinc/06/43/81/1319064381.db2.gz OHNRLLTXAZOJHA-GHMZBOCLSA-N 1 0 331.351 2.378 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(CC[NH3+])cc2ccccc21 ZINC001160125047 1320076210 /nfs/dbraw/zinc/07/62/10/1320076210.db2.gz SOGPQZIXPSAHOO-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001160206686 1320098547 /nfs/dbraw/zinc/09/85/47/1320098547.db2.gz PHVRIFNMMJWMDE-NSHDSACASA-N 1 0 337.339 2.396 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161234156 1320428892 /nfs/dbraw/zinc/42/88/92/1320428892.db2.gz OFSCHFYUNWITOC-UHFFFAOYSA-N 1 0 334.420 2.461 20 5 EEBDRO COCCC1(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC[NH2+]CC1 ZINC001161503438 1320519852 /nfs/dbraw/zinc/51/98/52/1320519852.db2.gz IPQDMLUGJUWLRE-UHFFFAOYSA-N 1 0 333.392 2.289 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001162740597 1320946028 /nfs/dbraw/zinc/94/60/28/1320946028.db2.gz INBRGZRESLZDST-HNNXBMFYSA-N 1 0 335.367 2.428 20 5 EEBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162757854 1320951005 /nfs/dbraw/zinc/95/10/05/1320951005.db2.gz DNCPAKZIMWYXSK-MRVPVSSYSA-N 1 0 333.735 2.240 20 5 EEBDRO COC(=O)Cc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001162855161 1320975664 /nfs/dbraw/zinc/97/56/64/1320975664.db2.gz ZFWKKZCCTBPYBL-AWEZNQCLSA-N 1 0 341.367 2.332 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2noc3c2C[NH2+]CC3)c2ccncc21 ZINC001163131399 1321046325 /nfs/dbraw/zinc/04/63/25/1321046325.db2.gz CYRFPQWATNZEJB-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC001163274239 1321083803 /nfs/dbraw/zinc/08/38/03/1321083803.db2.gz HKXCNIHUNOPNKB-LBPRGKRZSA-N 1 0 334.763 2.008 20 5 EEBDRO COc1c(F)cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282609 1321087118 /nfs/dbraw/zinc/08/71/18/1321087118.db2.gz AKMAGUOUJOFOLT-BDJLRTHQSA-N 1 0 339.367 2.313 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163284556 1321087751 /nfs/dbraw/zinc/08/77/51/1321087751.db2.gz MGDSIBANYBAPRZ-BZNIZROVSA-N 1 0 331.376 2.042 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc2cccnc21 ZINC001163325627 1321098702 /nfs/dbraw/zinc/09/87/02/1321098702.db2.gz BSHHVBWVUGMWJM-SUMWQHHRSA-N 1 0 328.372 2.466 20 5 EEBDRO [NH3+]C1(CNc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CCC1 ZINC001163328379 1321099084 /nfs/dbraw/zinc/09/90/84/1321099084.db2.gz PTDUBRRQMJNVIV-UHFFFAOYSA-N 1 0 325.678 2.350 20 5 EEBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001163438809 1321125859 /nfs/dbraw/zinc/12/58/59/1321125859.db2.gz ORDDTPAVPYVCMT-HNNXBMFYSA-N 1 0 345.403 2.107 20 5 EEBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC001163461750 1321131741 /nfs/dbraw/zinc/13/17/41/1321131741.db2.gz JCBXBOGSWQRJPX-ZDUSSCGKSA-N 1 0 330.344 2.197 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)on1 ZINC001163485315 1321137204 /nfs/dbraw/zinc/13/72/04/1321137204.db2.gz NNHGEBJIBAMDOV-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001163880242 1321238215 /nfs/dbraw/zinc/23/82/15/1321238215.db2.gz VYVOOBSWTVFRHU-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO Cc1ccc(F)cc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490979 1321394514 /nfs/dbraw/zinc/39/45/14/1321394514.db2.gz VTTYABKRNXSERH-HZPDHXFCSA-N 1 0 349.406 2.175 20 5 EEBDRO C[NH+]1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001165144335 1321465101 /nfs/dbraw/zinc/46/51/01/1321465101.db2.gz HWMDMKHPXGOPDU-RKDXNWHRSA-N 1 0 332.738 2.186 20 5 EEBDRO CN(C)/C=C\c1cc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165187548 1321468780 /nfs/dbraw/zinc/46/87/80/1321468780.db2.gz MOFRIPRDGKOTJG-GMRZMDSISA-N 1 0 331.420 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(-n3ncc4c3CC[NH2+]C4)c2c1 ZINC001165219498 1321475913 /nfs/dbraw/zinc/47/59/13/1321475913.db2.gz TWROEFBTNVDNLC-UHFFFAOYSA-N 1 0 330.735 2.023 20 5 EEBDRO Cc1ccc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001165396352 1321516205 /nfs/dbraw/zinc/51/62/05/1321516205.db2.gz ZUTLZSQHYAKGJQ-ZBFHGGJFSA-N 1 0 325.372 2.301 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]2CF)CC1 ZINC001165432891 1321525705 /nfs/dbraw/zinc/52/57/05/1321525705.db2.gz UZXQGDSFEBESMK-ZWNOBZJWSA-N 1 0 331.351 2.051 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]2CF)CC1 ZINC001165432888 1321525718 /nfs/dbraw/zinc/52/57/18/1321525718.db2.gz UZXQGDSFEBESMK-GWCFXTLKSA-N 1 0 331.351 2.051 20 5 EEBDRO C[NH+]1CCN(c2cccnc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209935148 1325104369 /nfs/dbraw/zinc/10/43/69/1325104369.db2.gz WDMBHAQXVJFGCB-UHFFFAOYSA-N 1 0 328.376 2.067 20 5 EEBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307229372 1331519958 /nfs/dbraw/zinc/51/99/58/1331519958.db2.gz AAHKPMSCOKIQSX-YOEHRIQHSA-N 1 0 346.431 2.393 20 5 EEBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309964716 1331649753 /nfs/dbraw/zinc/64/97/53/1331649753.db2.gz AKYUYRDLDTUNFD-JTQLQIEISA-N 1 0 349.478 2.363 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001319072128 1332645128 /nfs/dbraw/zinc/64/51/28/1332645128.db2.gz QDIPDPJKPAXHEO-CYBMUJFWSA-N 1 0 334.420 2.344 20 5 EEBDRO O=C(CN1CC[C@@](O)(C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001321057061 1333007655 /nfs/dbraw/zinc/00/76/55/1333007655.db2.gz DGYOMZUOWSWIEL-HNNXBMFYSA-N 1 0 339.779 2.034 20 5 EEBDRO CCCN1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001322034647 1333200156 /nfs/dbraw/zinc/20/01/56/1333200156.db2.gz QQHBEJASBJJPMF-OAHLLOKOSA-N 1 0 349.387 2.341 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001326408605 1334086828 /nfs/dbraw/zinc/08/68/28/1334086828.db2.gz PEBHQCSVBCFDNU-GXTWGEPZSA-N 1 0 332.404 2.335 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC001327617066 1334323212 /nfs/dbraw/zinc/32/32/12/1334323212.db2.gz QEGVEYOTZOZJQY-LLVKDONJSA-N 1 0 331.376 2.387 20 5 EEBDRO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001335307011 1336362341 /nfs/dbraw/zinc/36/23/41/1336362341.db2.gz BFPYHZDNXOAYLZ-IAGOWNOFSA-N 1 0 325.368 2.473 20 5 EEBDRO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC001336909091 1336614696 /nfs/dbraw/zinc/61/46/96/1336614696.db2.gz XBYWAVRONXDTHR-SWLSCSKDSA-N 1 0 332.404 2.282 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001337030893 1336633358 /nfs/dbraw/zinc/63/33/58/1336633358.db2.gz XCHUVFYYBZLRBM-UMVBOHGHSA-N 1 0 332.404 2.092 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001337478233 1336707008 /nfs/dbraw/zinc/70/70/08/1336707008.db2.gz CWVIRWNPRGGUAX-NSHDSACASA-N 1 0 343.330 2.410 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001337536715 1336712263 /nfs/dbraw/zinc/71/22/63/1336712263.db2.gz XARHRLDJPXVGPW-LBPRGKRZSA-N 1 0 328.372 2.357 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001345084318 1337424340 /nfs/dbraw/zinc/42/43/40/1337424340.db2.gz KRBHEBBCQFEKPI-MRXNPFEDSA-N 1 0 334.376 2.163 20 5 EEBDRO CN(CCNC(=O)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100144523 1338066244 /nfs/dbraw/zinc/06/62/44/1338066244.db2.gz KXQNXAAIKRFBED-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO CCc1ccc(C(=O)OC2CC[NH+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000847883136 1338357720 /nfs/dbraw/zinc/35/77/20/1338357720.db2.gz KCCIGGGHIHJDSD-UHFFFAOYSA-N 1 0 336.388 2.425 20 5 EEBDRO COCC[NH+]1CCC(OC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000847886546 1338359830 /nfs/dbraw/zinc/35/98/30/1338359830.db2.gz GWZDTPKQTBIXQV-DLBZAZTESA-N 1 0 348.399 2.352 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583402 1338724949 /nfs/dbraw/zinc/72/49/49/1338724949.db2.gz YHLCVYOXUZUTGN-SNVBAGLBSA-N 1 0 331.319 2.023 20 5 EEBDRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC001576008972 1343942159 /nfs/dbraw/zinc/94/21/59/1343942159.db2.gz VTFFNUXTVUIYPB-SCLBCKFNSA-N 1 0 343.383 2.352 20 5 EEBDRO CN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH3+] ZINC001578450317 1344279427 /nfs/dbraw/zinc/27/94/27/1344279427.db2.gz KNJFCMGSERAQHH-UHFFFAOYSA-N 1 0 344.419 2.438 20 5 EEBDRO Nc1ccc(C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001580309971 1344509111 /nfs/dbraw/zinc/50/91/11/1344509111.db2.gz UULFELBJVMQORX-UHFFFAOYSA-N 1 0 348.790 2.432 20 5 EEBDRO O=C(NC1(C(F)(F)F)CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001580593573 1344541144 /nfs/dbraw/zinc/54/11/44/1344541144.db2.gz DEIBKORUFMAIQC-UHFFFAOYSA-N 1 0 335.257 2.148 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580609473 1344542869 /nfs/dbraw/zinc/54/28/69/1344542869.db2.gz NVINIWTWSANUKI-GRYCIOLGSA-N 1 0 328.372 2.194 20 5 EEBDRO CC(C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001589457307 1348991572 /nfs/dbraw/zinc/99/15/72/1348991572.db2.gz SFDCNIHBXHIOMN-HNNXBMFYSA-N 1 0 345.407 2.307 20 5 EEBDRO CC1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCS1 ZINC001590099085 1349154353 /nfs/dbraw/zinc/15/43/53/1349154353.db2.gz DJAYRIYMWBDCLT-UHFFFAOYSA-N 1 0 348.432 2.492 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590733072 1349394458 /nfs/dbraw/zinc/39/44/58/1349394458.db2.gz URHHOKDQIBACMX-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C[NH+]1CCCCC1 ZINC001603555948 1350718863 /nfs/dbraw/zinc/71/88/63/1350718863.db2.gz SJDJPHVSXWIKGA-LBPRGKRZSA-N 1 0 345.407 2.309 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000090322566 1357051044 /nfs/dbraw/zinc/05/10/44/1357051044.db2.gz ACVNVVXHBRVTFW-QWRGUYRKSA-N 1 0 326.194 2.009 20 5 EEBDRO CCc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001135234052 1368061800 /nfs/dbraw/zinc/06/18/00/1368061800.db2.gz VLJYPWIWKOBCKA-UHFFFAOYSA-N 1 0 348.428 2.442 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncc(Cl)c1 ZINC001135291211 1368078324 /nfs/dbraw/zinc/07/83/24/1368078324.db2.gz KPVSIFCWKWMLCY-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CC1(NC(=O)C[NH+]2CCCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110591621 1369076933 /nfs/dbraw/zinc/07/69/33/1369076933.db2.gz PYEGJMIGPBTMDL-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1F ZINC000852285163 1369257378 /nfs/dbraw/zinc/25/73/78/1369257378.db2.gz UARGUONEWZLDMJ-MRXNPFEDSA-N 1 0 338.379 2.391 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931308749 1369888193 /nfs/dbraw/zinc/88/81/93/1369888193.db2.gz VBSTWRSMICKCIN-DOPJRALCSA-N 1 0 346.431 2.195 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000830069990 1372307302 /nfs/dbraw/zinc/30/73/02/1372307302.db2.gz BMUMDDYBXKIZAJ-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000839522365 1372907952 /nfs/dbraw/zinc/90/79/52/1372907952.db2.gz RJPMHNQBUTVEOG-MRXNPFEDSA-N 1 0 337.376 2.245 20 5 EEBDRO C/C(=C/C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC1 ZINC001752842932 1406477591 /nfs/dbraw/zinc/47/75/91/1406477591.db2.gz CVNYEKQHQJJKMT-QFABTILNSA-N 1 0 341.411 2.498 20 5 EEBDRO CC[N@H+](CCNC(=O)c1nc(C)oc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753092291 1406679079 /nfs/dbraw/zinc/67/90/79/1406679079.db2.gz WHDQNOWHQOSCIG-UHFFFAOYSA-N 1 0 346.387 2.452 20 5 EEBDRO CC(C)=C(C)CC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001754984735 1407019212 /nfs/dbraw/zinc/01/92/12/1407019212.db2.gz VFEUWCAYOJIRNB-UHFFFAOYSA-N 1 0 349.435 2.203 20 5 EEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC001576595414 1403588248 /nfs/dbraw/zinc/58/82/48/1403588248.db2.gz GJLTZKHTGSTUTM-YWVKMMECSA-N 1 0 340.811 2.276 20 5 EEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580250904 1403854358 /nfs/dbraw/zinc/85/43/58/1403854358.db2.gz WRDPUWYVTHJUOG-PSLIRLAXSA-N 1 0 325.315 2.217 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000301866688 719480850 /nfs/dbraw/zinc/48/08/50/719480850.db2.gz NKKBVQUROHIIPU-HZPDHXFCSA-N 1 0 340.383 2.176 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001164667733 719482230 /nfs/dbraw/zinc/48/22/30/719482230.db2.gz MKWATNBQEHMQKN-GJZGRUSLSA-N 1 0 348.790 2.316 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729795 720351427 /nfs/dbraw/zinc/35/14/27/720351427.db2.gz YCYJTGZAIMCGOP-LSDHHAIUSA-N 1 0 325.372 2.238 20 5 EEBDRO Cc1nc(Cl)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164770682 721278934 /nfs/dbraw/zinc/27/89/34/721278934.db2.gz WTYIFZZIHVRVQE-UHFFFAOYSA-N 1 0 337.811 2.269 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000846613612 790280732 /nfs/dbraw/zinc/28/07/32/790280732.db2.gz WBVMLIUCPTWLMI-UHFFFAOYSA-N 1 0 336.348 2.061 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nc(C[NH3+])c2ccccc21 ZINC001167701750 761893974 /nfs/dbraw/zinc/89/39/74/761893974.db2.gz UQWQLKNCQSJGOM-UHFFFAOYSA-N 1 0 340.339 2.487 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000921077025 770954090 /nfs/dbraw/zinc/95/40/90/770954090.db2.gz DMLJBFJKUGRHRR-SNVBAGLBSA-N 1 0 338.364 2.272 20 5 EEBDRO CC(F)(F)C(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980609773 774991307 /nfs/dbraw/zinc/99/13/07/774991307.db2.gz ZGXUJQJJKZCSCM-UHFFFAOYSA-N 1 0 327.331 2.284 20 5 EEBDRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000846929985 790733233 /nfs/dbraw/zinc/73/32/33/790733233.db2.gz FFKHRVACWJYITI-DLBZAZTESA-N 1 0 344.415 2.487 20 5 EEBDRO O=C(NCCNc1cc[nH+]cc1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809919180 783531343 /nfs/dbraw/zinc/53/13/43/783531343.db2.gz VPKORVPUAGALEZ-UHFFFAOYSA-N 1 0 335.751 2.299 20 5 EEBDRO CCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001135948010 784846692 /nfs/dbraw/zinc/84/66/92/784846692.db2.gz ZPBBPOOMLPUSBO-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1oc(C2CC2)nc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001136040132 785035117 /nfs/dbraw/zinc/03/51/17/785035117.db2.gz LSTGXOQBQJOMNI-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953700 785102644 /nfs/dbraw/zinc/10/26/44/785102644.db2.gz SYFAMSBESHYSIZ-LBPRGKRZSA-N 1 0 342.403 2.155 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818021439 785147582 /nfs/dbraw/zinc/14/75/82/785147582.db2.gz SOGXFNOQDIKDJQ-UFBFGSQYSA-N 1 0 329.759 2.187 20 5 EEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000818942701 785335220 /nfs/dbraw/zinc/33/52/20/785335220.db2.gz IJLQFENHLNVPEW-MOPGFXCFSA-N 1 0 343.427 2.391 20 5 EEBDRO COC(=O)c1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818945614 785335781 /nfs/dbraw/zinc/33/57/81/785335781.db2.gz MDDOWZAXNQJYRE-KRWDZBQOSA-N 1 0 344.367 2.247 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000818946536 785337616 /nfs/dbraw/zinc/33/76/16/785337616.db2.gz QOGABKZPUDMEMP-KRWDZBQOSA-N 1 0 342.399 2.413 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 ZINC000818979944 785348136 /nfs/dbraw/zinc/34/81/36/785348136.db2.gz XSXQVUOFLKGXOD-RHSMWYFYSA-N 1 0 341.367 2.023 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000819151020 785423567 /nfs/dbraw/zinc/42/35/67/785423567.db2.gz XMMDNUUJQPTXGF-XJKSGUPXSA-N 1 0 346.362 2.031 20 5 EEBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCCCC1 ZINC000819170869 785444913 /nfs/dbraw/zinc/44/49/13/785444913.db2.gz CGCYBOHGIGPKLI-IAGOWNOFSA-N 1 0 347.415 2.151 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)cc1 ZINC000819299079 785491446 /nfs/dbraw/zinc/49/14/46/785491446.db2.gz SFPULZZGFOCSBO-ZDUSSCGKSA-N 1 0 339.298 2.414 20 5 EEBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000819338847 785512491 /nfs/dbraw/zinc/51/24/91/785512491.db2.gz CICJTSALJOXZNC-ROUUACIJSA-N 1 0 330.384 2.476 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])cc1C ZINC000820664194 786009856 /nfs/dbraw/zinc/00/98/56/786009856.db2.gz KFTYQVLYXWYVMD-UHFFFAOYSA-N 1 0 337.420 2.195 20 5 EEBDRO CC(C)(C)c1cnc(-n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170018019 805910229 /nfs/dbraw/zinc/91/02/29/805910229.db2.gz YYSJMDHCCUIRBV-UHFFFAOYSA-N 1 0 326.360 2.480 20 5 EEBDRO Cc1ncsc1CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146302393 791185301 /nfs/dbraw/zinc/18/53/01/791185301.db2.gz UPZZBOIEPVFVNY-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO COC[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172903728 791790765 /nfs/dbraw/zinc/79/07/65/791790765.db2.gz ZGEXGNQNRAHEAV-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC2(C1)CCOCC2 ZINC001147726565 791912680 /nfs/dbraw/zinc/91/26/80/791912680.db2.gz ZHZPMZOQUJOHRV-UHFFFAOYSA-N 1 0 347.415 2.007 20 5 EEBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000232470698 792090308 /nfs/dbraw/zinc/09/03/08/792090308.db2.gz KVSDVFUDFKCJJR-PHIMTYICSA-N 1 0 326.194 2.009 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001171394924 794640400 /nfs/dbraw/zinc/64/04/00/794640400.db2.gz WRFKLCLLDLBCHT-JTQLQIEISA-N 1 0 325.328 2.329 20 5 EEBDRO O=C(NCCCNc1ccccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC001094667834 796503306 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2.067 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCC[C@H]2CO)c1F ZINC001173177678 797277978 /nfs/dbraw/zinc/27/79/78/797277978.db2.gz CRRLETHEJNUNDF-MDZLAQPJSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1F ZINC001173181323 797279385 /nfs/dbraw/zinc/27/93/85/797279385.db2.gz OMZKOWPRZPNVPA-JKOKRWQUSA-N 1 0 344.358 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](C)CNC(C)=O)c1F ZINC001173181540 797279410 /nfs/dbraw/zinc/27/94/10/797279410.db2.gz FVXKJFWILQONEX-QWRGUYRKSA-N 1 0 341.383 2.035 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CN(C(C)C)C2)c1F ZINC001173181199 797279687 /nfs/dbraw/zinc/27/96/87/797279687.db2.gz BLLPRFWZVDEQGF-NSHDSACASA-N 1 0 325.384 2.356 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)NCC(C)C)c1F ZINC001173190663 797282019 /nfs/dbraw/zinc/28/20/19/797282019.db2.gz GGRGJDQTHPVUKU-LLVKDONJSA-N 1 0 341.383 2.035 20 5 EEBDRO CC[N@@H+]1CCO[C@@H]2CN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227541 797311496 /nfs/dbraw/zinc/31/14/96/797311496.db2.gz PMSKZIBVYSPJMU-QILLFSRXSA-N 1 0 333.432 2.178 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccncn2)CC1 ZINC001173231189 797312220 /nfs/dbraw/zinc/31/22/20/797312220.db2.gz KIOHCGOTUYGZPH-CQSZACIVSA-N 1 0 327.388 2.138 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110186355 798109224 /nfs/dbraw/zinc/10/92/24/798109224.db2.gz GQSVEYMVTOQSSV-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]c1 ZINC001002885819 798781564 /nfs/dbraw/zinc/78/15/64/798781564.db2.gz CSWJOSGIDPJKOE-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2occc2[nH]1 ZINC001128491319 800786492 /nfs/dbraw/zinc/78/64/92/800786492.db2.gz XRQAXTBGVGZFJB-UHFFFAOYSA-N 1 0 328.328 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccoc1 ZINC001086028449 801964114 /nfs/dbraw/zinc/96/41/14/801964114.db2.gz NDBQARUWDWXFGH-OTVXOJSOSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001086038764 801993158 /nfs/dbraw/zinc/99/31/58/801993158.db2.gz PFKFIDUMEGEYOT-BJHJDKERSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001086099568 802170291 /nfs/dbraw/zinc/17/02/91/802170291.db2.gz ULKNUTOSNJWNTE-BJHJDKERSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001086289421 802680427 /nfs/dbraw/zinc/68/04/27/802680427.db2.gz SARAVKIENCUOTE-SHTZXODSSA-N 1 0 340.383 2.288 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](F)C1 ZINC001168969111 803553229 /nfs/dbraw/zinc/55/32/29/803553229.db2.gz CLFKGFZVNYGXLC-AAVRWANBSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)C1 ZINC001168969056 803553448 /nfs/dbraw/zinc/55/34/48/803553448.db2.gz BSGCGSIPQIHFIB-HIFRSBDPSA-N 1 0 335.404 2.174 20 5 EEBDRO COc1cccc(Cn2cncc2C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168994600 803561546 /nfs/dbraw/zinc/56/15/46/803561546.db2.gz QGHRSMKOANDIOE-HOTGVXAUSA-N 1 0 344.415 2.475 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1C(=O)OC(C)(C)C ZINC001168997367 803563228 /nfs/dbraw/zinc/56/32/28/803563228.db2.gz YXJFEUPUAZIVTD-AAVRWANBSA-N 1 0 327.425 2.419 20 5 EEBDRO COc1ccccc1Cn1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168998308 803563879 /nfs/dbraw/zinc/56/38/79/803563879.db2.gz LDFHCPCAFXWXKQ-GOEBONIOSA-N 1 0 344.415 2.475 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037537 803581311 /nfs/dbraw/zinc/58/13/11/803581311.db2.gz SBUBPQQEXPUUDO-RQJABVFESA-N 1 0 345.415 2.369 20 5 EEBDRO COC(=O)c1ccccc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039788 803582953 /nfs/dbraw/zinc/58/29/53/803582953.db2.gz TZGCDILIGKETFO-CABCVRRESA-N 1 0 347.415 2.041 20 5 EEBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(CC)c21 ZINC001169019742 803587810 /nfs/dbraw/zinc/58/78/10/803587810.db2.gz JEMHBRKDDKCQCL-KBMXLJTQSA-N 1 0 336.436 2.284 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccsc1 ZINC001169026431 803592176 /nfs/dbraw/zinc/59/21/76/803592176.db2.gz WYYUTOXDXCISEF-OSFYFWSMSA-N 1 0 335.429 2.088 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026559 803592407 /nfs/dbraw/zinc/59/24/07/803592407.db2.gz MMZXCRFFFBRXHI-KBPBESRZSA-N 1 0 330.388 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2ncn3c2C[NH2+]CCC3)c2ccncc21 ZINC001169242621 803666888 /nfs/dbraw/zinc/66/68/88/803666888.db2.gz QARXNXNSJGIUBY-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790910444 808992801 /nfs/dbraw/zinc/99/28/01/808992801.db2.gz APFSAULBJRWXKH-UWVGGRQHSA-N 1 0 343.786 2.481 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC001170312999 809886464 /nfs/dbraw/zinc/88/64/64/809886464.db2.gz HYZWVHZNOSQBAE-GFCCVEGCSA-N 1 0 347.371 2.033 20 5 EEBDRO COCCC[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804421843 810855314 /nfs/dbraw/zinc/85/53/14/810855314.db2.gz GWYNHNJRKVAKKL-UHFFFAOYSA-N 1 0 338.364 2.416 20 5 EEBDRO COCc1csc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001130879192 812148957 /nfs/dbraw/zinc/14/89/57/812148957.db2.gz JBZYLPHGGYDBLM-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000808190098 812504446 /nfs/dbraw/zinc/50/44/46/812504446.db2.gz CBMLLGBLFPUKRH-BBRMVZONSA-N 1 0 344.419 2.164 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000808190101 812504474 /nfs/dbraw/zinc/50/44/74/812504474.db2.gz CBMLLGBLFPUKRH-XJKSGUPXSA-N 1 0 344.419 2.164 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000186789547 529902861 /nfs/dbraw/zinc/90/28/61/529902861.db2.gz CNQUAGCLNAVAQY-UHFFFAOYSA-N 1 0 328.372 2.309 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193304285 535035217 /nfs/dbraw/zinc/03/52/17/535035217.db2.gz VGRKMESOIRZHOE-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356654119 283255990 /nfs/dbraw/zinc/25/59/90/283255990.db2.gz WCVFGULDGDNYBH-UHFFFAOYSA-N 1 0 349.435 2.300 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C2CCOCC2)CC1 ZINC000129733684 223086041 /nfs/dbraw/zinc/08/60/41/223086041.db2.gz OERXHKODQQHWBO-HWKANZROSA-N 1 0 331.416 2.405 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1[NH+](C)C ZINC000421790009 240024511 /nfs/dbraw/zinc/02/45/11/240024511.db2.gz CFQIPGJVJFMSFY-HUUCEWRRSA-N 1 0 337.445 2.329 20 5 EEBDRO CCC[NH2+]CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236912078 242409527 /nfs/dbraw/zinc/40/95/27/242409527.db2.gz RGUMCLDALXWINW-UHFFFAOYSA-N 1 0 329.784 2.133 20 5 EEBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585491 242568800 /nfs/dbraw/zinc/56/88/00/242568800.db2.gz FERCIIRHCYHWCB-MLGOLLRUSA-N 1 0 334.351 2.477 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451104463 243003165 /nfs/dbraw/zinc/00/31/65/243003165.db2.gz KLWASRWKUMDMAI-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000451552668 243155599 /nfs/dbraw/zinc/15/55/99/243155599.db2.gz WZUVQKVDOUDLRG-DZGCQCFKSA-N 1 0 338.429 2.209 20 5 EEBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)CC(C)(C)C ZINC000451780286 243258121 /nfs/dbraw/zinc/25/81/21/243258121.db2.gz MZFIXVQTPIMRFH-OAHLLOKOSA-N 1 0 349.431 2.213 20 5 EEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)CC(C)(C)C ZINC000451790778 243262417 /nfs/dbraw/zinc/26/24/17/243262417.db2.gz OYAPLWGLVZTVHD-OAHLLOKOSA-N 1 0 349.431 2.213 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246556426 243270928 /nfs/dbraw/zinc/27/09/28/243270928.db2.gz ZNRZDZOTXCSVMF-UPJWGTAASA-N 1 0 334.420 2.273 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000456004843 244128915 /nfs/dbraw/zinc/12/89/15/244128915.db2.gz XQQLTBNJFJKBII-ZDUSSCGKSA-N 1 0 349.435 2.272 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263836481 245744537 /nfs/dbraw/zinc/74/45/37/245744537.db2.gz RLAFPFGEGXHNPL-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000081363209 217388302 /nfs/dbraw/zinc/38/83/02/217388302.db2.gz IHVXWXJNOMFMME-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000265000749 247124762 /nfs/dbraw/zinc/12/47/62/247124762.db2.gz INCGSUSAUBQVFI-UHFFFAOYSA-N 1 0 347.371 2.182 20 5 EEBDRO Cn1c(Sc2ccc(F)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265495038 247552633 /nfs/dbraw/zinc/55/26/33/247552633.db2.gz WNTDOSZWZXOJCS-VIFPVBQESA-N 1 0 337.380 2.481 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCO ZINC000112583083 220352125 /nfs/dbraw/zinc/35/21/25/220352125.db2.gz NYFFTJZSHRWASX-AWEZNQCLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000415995494 533194873 /nfs/dbraw/zinc/19/48/73/533194873.db2.gz NBSRUYABCHNEHR-KCJUWKMLSA-N 1 0 334.298 2.235 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269258564 255554562 /nfs/dbraw/zinc/55/45/62/255554562.db2.gz CQROPKUEXCBAIE-HOCLYGCPSA-N 1 0 330.388 2.274 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117746314 221085098 /nfs/dbraw/zinc/08/50/98/221085098.db2.gz ZIDFMCWTERBRHE-UHFFFAOYSA-N 1 0 327.812 2.495 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117746272 221085346 /nfs/dbraw/zinc/08/53/46/221085346.db2.gz MAWYDOGZKZLMOR-ZDUSSCGKSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@@H]1CN(CC[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195304420 256009686 /nfs/dbraw/zinc/00/96/86/256009686.db2.gz QXTIDQBRONNSOL-GASCZTMLSA-N 1 0 337.420 2.015 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117783655 221088495 /nfs/dbraw/zinc/08/84/95/221088495.db2.gz SEAGSOHXDCIDSH-ZDUSSCGKSA-N 1 0 325.796 2.343 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c2cnccc12 ZINC000267068279 256023615 /nfs/dbraw/zinc/02/36/15/256023615.db2.gz DEIJXNMNYPMGHO-UHFFFAOYSA-N 1 0 344.400 2.407 20 5 EEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000267512062 256065397 /nfs/dbraw/zinc/06/53/97/256065397.db2.gz MCAIDWBWYKFAGY-JSGCOSHPSA-N 1 0 342.403 2.432 20 5 EEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000267249676 256041993 /nfs/dbraw/zinc/04/19/93/256041993.db2.gz UFINFKSHKGRACE-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1C1CC1 ZINC000268037393 256106896 /nfs/dbraw/zinc/10/68/96/256106896.db2.gz WYOYJUWGLZOYAC-PWSUYJOCSA-N 1 0 328.372 2.431 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268133061 256117486 /nfs/dbraw/zinc/11/74/86/256117486.db2.gz BBOKEXDSGIGJDR-AWEZNQCLSA-N 1 0 331.372 2.222 20 5 EEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000270577226 256149906 /nfs/dbraw/zinc/14/99/06/256149906.db2.gz PQETVXCXRCHFGV-OIISXLGYSA-N 1 0 349.431 2.282 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273483867 256300262 /nfs/dbraw/zinc/30/02/62/256300262.db2.gz JJSDGLYYQIHTJO-LSDHHAIUSA-N 1 0 335.429 2.247 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000275829860 256383349 /nfs/dbraw/zinc/38/33/49/256383349.db2.gz YFRRCCUWJQYJIM-NSHDSACASA-N 1 0 334.376 2.375 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000274476076 256375062 /nfs/dbraw/zinc/37/50/62/256375062.db2.gz NJJGHOZDYKJJPU-UHFFFAOYSA-N 1 0 329.198 2.283 20 5 EEBDRO CC(C)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000276936667 256480942 /nfs/dbraw/zinc/48/09/42/256480942.db2.gz YUIJKWNFCDAYLS-UHFFFAOYSA-N 1 0 345.403 2.323 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119777881 221398959 /nfs/dbraw/zinc/39/89/59/221398959.db2.gz DGZDOTFNCQEJAM-AWEZNQCLSA-N 1 0 335.404 2.068 20 5 EEBDRO CS(=O)(=O)c1ccc(NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000262484739 152284493 /nfs/dbraw/zinc/28/44/93/152284493.db2.gz KIAQYUKRAIWFCV-UHFFFAOYSA-N 1 0 327.406 2.072 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000437933795 292282272 /nfs/dbraw/zinc/28/22/72/292282272.db2.gz AOQMLYPPRXSVRQ-XOKHGSTOSA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364984080 292296085 /nfs/dbraw/zinc/29/60/85/292296085.db2.gz SKNLPZDXTPAKGE-BMGDILEWSA-N 1 0 333.432 2.495 20 5 EEBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374322449 154049930 /nfs/dbraw/zinc/04/99/30/154049930.db2.gz DARUNCYQFVLKEX-WBVHZDCISA-N 1 0 332.448 2.053 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000089923886 159189275 /nfs/dbraw/zinc/18/92/75/159189275.db2.gz SRJOAUQSNRYYIE-UHFFFAOYSA-N 1 0 335.404 2.325 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000103119374 159272235 /nfs/dbraw/zinc/27/22/35/159272235.db2.gz DHVIYEUMNIATOL-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO C[NH2+]C[C@H](C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000129553015 159532275 /nfs/dbraw/zinc/53/22/75/159532275.db2.gz DCWHKGCERRZYOA-QMMMGPOBSA-N 1 0 349.172 2.467 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187295314 160098767 /nfs/dbraw/zinc/09/87/67/160098767.db2.gz MYUVKZGKAZOVBW-RAEVTNRLSA-N 1 0 333.388 2.469 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188484311 160124527 /nfs/dbraw/zinc/12/45/27/160124527.db2.gz USZSCKOYPXAMTN-SJCJKPOMSA-N 1 0 344.415 2.266 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342275189 161052663 /nfs/dbraw/zinc/05/26/63/161052663.db2.gz ALSASYZBFXLIQB-RYUDHWBXSA-N 1 0 326.324 2.127 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000342408445 161063027 /nfs/dbraw/zinc/06/30/27/161063027.db2.gz CDALOOYBEDUYNM-JLJPHGGASA-N 1 0 335.379 2.471 20 5 EEBDRO C[C@H]([NH2+][C@H](Cc1ccc(F)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000342420859 161064137 /nfs/dbraw/zinc/06/41/37/161064137.db2.gz OLLXSXJLBBANKE-MEDUHNTESA-N 1 0 331.347 2.481 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000343557445 161146189 /nfs/dbraw/zinc/14/61/89/161146189.db2.gz CCQKBYDNCCVUEQ-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCC1 ZINC000344932551 161257241 /nfs/dbraw/zinc/25/72/41/161257241.db2.gz CWKFOPYIPPLEGM-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000345904754 161341122 /nfs/dbraw/zinc/34/11/22/161341122.db2.gz BKSXIMCNPLMLCX-UHFFFAOYSA-N 1 0 344.415 2.350 20 5 EEBDRO COc1cc(CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000346081956 161355729 /nfs/dbraw/zinc/35/57/29/161355729.db2.gz PUNRPTVIHJEEOF-LLVKDONJSA-N 1 0 345.346 2.170 20 5 EEBDRO COc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c(C)c1OC ZINC000347625109 161468362 /nfs/dbraw/zinc/46/83/62/161468362.db2.gz OBJRWTVJRZXKSO-LBPRGKRZSA-N 1 0 334.376 2.468 20 5 EEBDRO CSCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000352510977 162165460 /nfs/dbraw/zinc/16/54/60/162165460.db2.gz PTIVMQJHMUTSEF-RISCZKNCSA-N 1 0 325.434 2.455 20 5 EEBDRO COC(=O)COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000355728680 163283432 /nfs/dbraw/zinc/28/34/32/163283432.db2.gz DSVMWGSXVOETLO-KBPBESRZSA-N 1 0 334.372 2.379 20 5 EEBDRO Cc1nc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000364946950 165329082 /nfs/dbraw/zinc/32/90/82/165329082.db2.gz UFNBHNZODMAEIR-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000159757588 225272301 /nfs/dbraw/zinc/27/23/01/225272301.db2.gz TXEXPADYVBFYCI-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CSc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272697292 269010531 /nfs/dbraw/zinc/01/05/31/269010531.db2.gz YBRDGMCFMBSBEL-RISCZKNCSA-N 1 0 335.429 2.483 20 5 EEBDRO CC(C)OCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805797 269055480 /nfs/dbraw/zinc/05/54/80/269055480.db2.gz GPLPMPAMYXDTAA-UHFFFAOYSA-N 1 0 347.419 2.408 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275079851 269092923 /nfs/dbraw/zinc/09/29/23/269092923.db2.gz DBHNRWSJNSTDHQ-SNVBAGLBSA-N 1 0 349.284 2.234 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000275473797 269119216 /nfs/dbraw/zinc/11/92/16/269119216.db2.gz PFDPIVYSMDAIRB-GFCCVEGCSA-N 1 0 325.384 2.011 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277635857 269166181 /nfs/dbraw/zinc/16/61/81/269166181.db2.gz XOZHCZITZWQEKU-HNNXBMFYSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277635722 269166265 /nfs/dbraw/zinc/16/62/65/269166265.db2.gz BSDVCUNBWIKBCB-INWMFGNUSA-N 1 0 330.388 2.097 20 5 EEBDRO CC1(C)C[C@@H](NC[C@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052273 269258716 /nfs/dbraw/zinc/25/87/16/269258716.db2.gz KGFBDLBBWFBGRB-WMLDXEAASA-N 1 0 333.432 2.364 20 5 EEBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279845131 269310536 /nfs/dbraw/zinc/31/05/36/269310536.db2.gz RULMOBGPFBPUCL-CJNGLKHVSA-N 1 0 335.404 2.183 20 5 EEBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000274429779 274194587 /nfs/dbraw/zinc/19/45/87/274194587.db2.gz NMVJTDPPHQRCIL-RWMBFGLXSA-N 1 0 334.420 2.154 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC1CCC1 ZINC000279866725 274554713 /nfs/dbraw/zinc/55/47/13/274554713.db2.gz SXHRKLYESQIQMJ-WFASDCNBSA-N 1 0 335.404 2.453 20 5 EEBDRO C[NH+](C)[C@@]1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCSC1 ZINC000288428090 275057205 /nfs/dbraw/zinc/05/72/05/275057205.db2.gz OCPUKMHMLHJLCG-OAHLLOKOSA-N 1 0 349.416 2.093 20 5 EEBDRO Cc1cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1[N+](=O)[O-] ZINC000289390055 275113081 /nfs/dbraw/zinc/11/30/81/275113081.db2.gz MJAKAQHETHQIGE-INIZCTEOSA-N 1 0 330.388 2.391 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289828655 275152538 /nfs/dbraw/zinc/15/25/38/275152538.db2.gz BDAWOVHBWJTPNO-CQSZACIVSA-N 1 0 346.431 2.123 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000290863145 275247204 /nfs/dbraw/zinc/24/72/04/275247204.db2.gz DYSJUOGBVDIOLE-GFCCVEGCSA-N 1 0 339.440 2.035 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000292067831 275371132 /nfs/dbraw/zinc/37/11/32/275371132.db2.gz KQAOWPHYYPQJQH-LLVKDONJSA-N 1 0 340.399 2.258 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000180954707 276825392 /nfs/dbraw/zinc/82/53/92/276825392.db2.gz PTIPNQUUSXPOHK-HNNXBMFYSA-N 1 0 346.362 2.349 20 5 EEBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000365843982 281245814 /nfs/dbraw/zinc/24/58/14/281245814.db2.gz SBOBUBRLDYLKFL-CQSZACIVSA-N 1 0 330.392 2.071 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000121373531 289379760 /nfs/dbraw/zinc/37/97/60/289379760.db2.gz QJYVAHXWHUZZHG-GJZGRUSLSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000292913024 293076372 /nfs/dbraw/zinc/07/63/72/293076372.db2.gz LAAKNPFPQGVCDU-PWSUYJOCSA-N 1 0 336.310 2.494 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234345 293158291 /nfs/dbraw/zinc/15/82/91/293158291.db2.gz SJBYXHMKVKBOAC-YOEHRIQHSA-N 1 0 338.404 2.081 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000295951515 293855381 /nfs/dbraw/zinc/85/53/81/293855381.db2.gz HDMBIHTXJYQSAQ-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069287 293884744 /nfs/dbraw/zinc/88/47/44/293884744.db2.gz PKHNYTRHYKCLFF-MZPVMMEZSA-N 1 0 347.415 2.133 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296727598 294051575 /nfs/dbraw/zinc/05/15/75/294051575.db2.gz GSJVECCSJDXUMH-SUMWQHHRSA-N 1 0 332.404 2.393 20 5 EEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000296844243 294081647 /nfs/dbraw/zinc/08/16/47/294081647.db2.gz FQYLKSHAWHERSM-UHFFFAOYSA-N 1 0 343.387 2.218 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000296855910 294085266 /nfs/dbraw/zinc/08/52/66/294085266.db2.gz CXEMJPHYWOATIJ-UHFFFAOYSA-N 1 0 331.294 2.425 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327064 294415502 /nfs/dbraw/zinc/41/55/02/294415502.db2.gz CTIBABVVIQDDHN-FUHWJXTLSA-N 1 0 343.431 2.397 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000299499559 294758276 /nfs/dbraw/zinc/75/82/76/294758276.db2.gz CIHKYBFLXUGKID-AWEZNQCLSA-N 1 0 343.387 2.193 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccncc21 ZINC000301524004 294865160 /nfs/dbraw/zinc/86/51/60/294865160.db2.gz FFSCIGCYKTUWPP-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000238064685 295251441 /nfs/dbraw/zinc/25/14/41/295251441.db2.gz VXLYVYCKLRJIDD-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237457720 298973081 /nfs/dbraw/zinc/97/30/81/298973081.db2.gz LPVOPPVJUGCDEW-ONGXEEELSA-N 1 0 347.824 2.139 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332398732 312000920 /nfs/dbraw/zinc/00/09/20/312000920.db2.gz RBTWGQMIXOUXTK-WMLDXEAASA-N 1 0 347.415 2.262 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000412021353 312599478 /nfs/dbraw/zinc/59/94/78/312599478.db2.gz MFFOMQLKNSBKKY-LLVKDONJSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414949722 313114109 /nfs/dbraw/zinc/11/41/09/313114109.db2.gz GNJRUJMISUNMMN-LRDDRELGSA-N 1 0 329.404 2.225 20 5 EEBDRO [NH3+][C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000418085852 313707873 /nfs/dbraw/zinc/70/78/73/313707873.db2.gz BFGXWZRJRQNTNG-GFCCVEGCSA-N 1 0 346.309 2.150 20 5 EEBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000418308425 313779486 /nfs/dbraw/zinc/77/94/86/313779486.db2.gz AHPZKXSXNPKGAW-HIFRSBDPSA-N 1 0 334.420 2.167 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418378664 313798309 /nfs/dbraw/zinc/79/83/09/313798309.db2.gz ANRXSPLFYQKLPM-GDBMZVCRSA-N 1 0 334.420 2.467 20 5 EEBDRO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420957058 314008792 /nfs/dbraw/zinc/00/87/92/314008792.db2.gz ZALKEODEYKXOSG-OAGGEKHMSA-N 1 0 338.404 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000421014219 314026324 /nfs/dbraw/zinc/02/63/24/314026324.db2.gz VRWBXTPSCAHQIS-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451846862 315455997 /nfs/dbraw/zinc/45/59/97/315455997.db2.gz RTFLVOGHJBUMFZ-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CCc1cc(NC[C@@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507115722 316372892 /nfs/dbraw/zinc/37/28/92/316372892.db2.gz LELCOKOUNREPDX-GFCCVEGCSA-N 1 0 329.404 2.398 20 5 EEBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542726788 318137934 /nfs/dbraw/zinc/13/79/34/318137934.db2.gz AYASTLPSAAFQNO-OAHLLOKOSA-N 1 0 347.802 2.477 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000542882276 318146493 /nfs/dbraw/zinc/14/64/93/318146493.db2.gz WLPXXGRVLHYAPB-ZDUSSCGKSA-N 1 0 344.293 2.133 20 5 EEBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000562593335 318900689 /nfs/dbraw/zinc/90/06/89/318900689.db2.gz ISXCTDTUCNWIJE-BFHYXJOUSA-N 1 0 337.424 2.169 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOC1CCCCC1 ZINC000563528981 319019804 /nfs/dbraw/zinc/01/98/04/319019804.db2.gz RFRIHFGFNABZGD-CQSZACIVSA-N 1 0 338.404 2.273 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000563610257 319029739 /nfs/dbraw/zinc/02/97/39/319029739.db2.gz MDVNYIQZEXQITH-OAHLLOKOSA-N 1 0 334.420 2.298 20 5 EEBDRO CC[NH2+]CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000565892063 319224355 /nfs/dbraw/zinc/22/43/55/319224355.db2.gz INNNVRIOZAUVOP-SNVBAGLBSA-N 1 0 329.784 2.131 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000574201125 320005021 /nfs/dbraw/zinc/00/50/21/320005021.db2.gz IMUDJLHVHMXVEB-YOEHRIQHSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000574574208 320037838 /nfs/dbraw/zinc/03/78/38/320037838.db2.gz BPFCWZNGPSGYGL-SNVBAGLBSA-N 1 0 338.383 2.118 20 5 EEBDRO COc1ccc(CC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000576148084 320145041 /nfs/dbraw/zinc/14/50/41/320145041.db2.gz AMXJEKZFZXKRMM-CQSZACIVSA-N 1 0 335.404 2.170 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000579670407 323901822 /nfs/dbraw/zinc/90/18/22/323901822.db2.gz NZXPXGPALYPMOG-GFCCVEGCSA-N 1 0 344.371 2.246 20 5 EEBDRO [NH3+][C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000580542265 324083635 /nfs/dbraw/zinc/08/36/35/324083635.db2.gz KUDXCVWNOWJXJE-CQSZACIVSA-N 1 0 325.368 2.444 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000581727135 324311738 /nfs/dbraw/zinc/31/17/38/324311738.db2.gz JOGJTJHKRGSYGT-SFHVURJKSA-N 1 0 346.431 2.009 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000582985599 324568818 /nfs/dbraw/zinc/56/88/18/324568818.db2.gz ZGSKQWYRSWSHSG-OAHLLOKOSA-N 1 0 332.356 2.133 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000347518338 465070448 /nfs/dbraw/zinc/07/04/48/465070448.db2.gz MZSXPLDHHJRVCL-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000347577814 465101766 /nfs/dbraw/zinc/10/17/66/465101766.db2.gz GSQKRAQHIGRFIZ-HOTGVXAUSA-N 1 0 343.431 2.386 20 5 EEBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000351497798 465187029 /nfs/dbraw/zinc/18/70/29/465187029.db2.gz YBGCZYFYKKSJSZ-UONOGXRCSA-N 1 0 331.376 2.468 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000520826285 468274394 /nfs/dbraw/zinc/27/43/94/468274394.db2.gz KAVICUKZNSUJTL-ZDUSSCGKSA-N 1 0 330.388 2.008 20 5 EEBDRO COC(=O)c1ccnc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000590569442 468274949 /nfs/dbraw/zinc/27/49/49/468274949.db2.gz KYHZYMWNQZUGIW-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000578962367 468284452 /nfs/dbraw/zinc/28/44/52/468284452.db2.gz MVMKUWQFGJNOLF-RRFJBIMHSA-N 1 0 326.418 2.472 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000073988198 462540984 /nfs/dbraw/zinc/54/09/84/462540984.db2.gz NHKODVJILHZINK-LSDHHAIUSA-N 1 0 344.415 2.478 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000127511861 462559949 /nfs/dbraw/zinc/55/99/49/462559949.db2.gz AMCWDLUEFUJOEW-AWEZNQCLSA-N 1 0 330.388 2.171 20 5 EEBDRO CC(C)C(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000061021217 462573773 /nfs/dbraw/zinc/57/37/73/462573773.db2.gz LQEWQCNEEGIVBX-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO CN1CCO[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000152747480 462576938 /nfs/dbraw/zinc/57/69/38/462576938.db2.gz AVXINONQMQJVCW-HZPDHXFCSA-N 1 0 347.415 2.047 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590688610 468306864 /nfs/dbraw/zinc/30/68/64/468306864.db2.gz WGEYUBJQIQCWAZ-IRXDYDNUSA-N 1 0 342.399 2.178 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000114140195 462628019 /nfs/dbraw/zinc/62/80/19/462628019.db2.gz WDQFGZIGUBIMCC-LLVKDONJSA-N 1 0 326.372 2.022 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128472198 462642091 /nfs/dbraw/zinc/64/20/91/462642091.db2.gz BYWUNIXECXZCJN-CYBMUJFWSA-N 1 0 338.383 2.089 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000074867800 462646830 /nfs/dbraw/zinc/64/68/30/462646830.db2.gz RQZCQNLWFGKLIF-INIZCTEOSA-N 1 0 346.431 2.468 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@]2(CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128886975 462678190 /nfs/dbraw/zinc/67/81/90/462678190.db2.gz VRUHRPWYFQFFNX-INIZCTEOSA-N 1 0 337.351 2.175 20 5 EEBDRO CCOc1cc(C(=O)NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000075650792 462746231 /nfs/dbraw/zinc/74/62/31/462746231.db2.gz JMFPUYQFDQJCCG-UHFFFAOYSA-N 1 0 339.392 2.120 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090139390 462778529 /nfs/dbraw/zinc/77/85/29/462778529.db2.gz TWKZOGYLQUVACK-KRWDZBQOSA-N 1 0 330.388 2.381 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590752573 468326165 /nfs/dbraw/zinc/32/61/65/468326165.db2.gz NYACACWUZKZTEP-BZPMIXESSA-N 1 0 349.387 2.162 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066945749 462952198 /nfs/dbraw/zinc/95/21/98/462952198.db2.gz DEUGYFGBMLLXML-AWEZNQCLSA-N 1 0 333.388 2.060 20 5 EEBDRO CCc1nn(C)c(NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000094131850 463059961 /nfs/dbraw/zinc/05/99/61/463059961.db2.gz WDNZMFZTBZGPBJ-AWEZNQCLSA-N 1 0 331.420 2.476 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000160507578 463344625 /nfs/dbraw/zinc/34/46/25/463344625.db2.gz FGVBPZSVIJBOGV-ZFWWWQNUSA-N 1 0 346.431 2.265 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000142363291 463361521 /nfs/dbraw/zinc/36/15/21/463361521.db2.gz RNPNPTMESZQZGF-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000161057772 463395546 /nfs/dbraw/zinc/39/55/46/463395546.db2.gz NGASNQLTVBSDRQ-ZJUUUORDSA-N 1 0 342.193 2.357 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000553245686 468356965 /nfs/dbraw/zinc/35/69/65/468356965.db2.gz GBCHMCHVWDKTJN-MRXNPFEDSA-N 1 0 335.404 2.466 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124391681 463417222 /nfs/dbraw/zinc/41/72/22/463417222.db2.gz KKSIETBBLBXGGE-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO CCc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000162243056 463494676 /nfs/dbraw/zinc/49/46/76/463494676.db2.gz UEPKRXIGJPTNOX-UHFFFAOYSA-N 1 0 335.404 2.127 20 5 EEBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000125292786 463526299 /nfs/dbraw/zinc/52/62/99/463526299.db2.gz IGNQWLHVMKOKBE-KGLIPLIRSA-N 1 0 333.388 2.094 20 5 EEBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000177543893 463733516 /nfs/dbraw/zinc/73/35/16/463733516.db2.gz PAQAFANHULROMR-UHFFFAOYSA-N 1 0 347.213 2.133 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276829024 463771244 /nfs/dbraw/zinc/77/12/44/463771244.db2.gz OHGSLHVCVFKFMI-LBPRGKRZSA-N 1 0 333.388 2.292 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000276836567 463775073 /nfs/dbraw/zinc/77/50/73/463775073.db2.gz PFOMPNOBENOCMK-DOMZBBRYSA-N 1 0 333.388 2.078 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000185431260 463822271 /nfs/dbraw/zinc/82/22/71/463822271.db2.gz AQRYPXWFMPQPTO-NSHDSACASA-N 1 0 338.383 2.310 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1[N+](=O)[O-] ZINC000269075651 463867627 /nfs/dbraw/zinc/86/76/27/463867627.db2.gz XJYQKFPJBMEERK-SJORKVTESA-N 1 0 347.415 2.093 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283447016 463888222 /nfs/dbraw/zinc/88/82/22/463888222.db2.gz KNQZLXANVLJILC-WDEREUQCSA-N 1 0 338.383 2.166 20 5 EEBDRO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000261888683 463888596 /nfs/dbraw/zinc/88/85/96/463888596.db2.gz UXJSSFDPMBYPPD-OKILXGFUSA-N 1 0 331.416 2.330 20 5 EEBDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000262117513 463950722 /nfs/dbraw/zinc/95/07/22/463950722.db2.gz XBUGLHAZLQIRFU-MWLCHTKSSA-N 1 0 345.346 2.026 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000278870001 464003860 /nfs/dbraw/zinc/00/38/60/464003860.db2.gz ODBNRWGAZMMRTM-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO CN1CCN(C)[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957820 464015499 /nfs/dbraw/zinc/01/54/99/464015499.db2.gz BBSIMBKZIXSFIV-PBHICJAKSA-N 1 0 332.448 2.153 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262807519 464047093 /nfs/dbraw/zinc/04/70/93/464047093.db2.gz OLIMSXKUXJVGNL-WMLDXEAASA-N 1 0 349.434 2.269 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172790166 464143512 /nfs/dbraw/zinc/14/35/12/464143512.db2.gz OJOPQLJIYYHRJE-LBPRGKRZSA-N 1 0 332.404 2.258 20 5 EEBDRO C[C@H]1OCC[C@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279837500 464153967 /nfs/dbraw/zinc/15/39/67/464153967.db2.gz RJSOVQRVBYCMBY-CPUCHLNUSA-N 1 0 336.388 2.242 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042634 464168468 /nfs/dbraw/zinc/16/84/68/464168468.db2.gz SIUOQBSNLTWIEB-UAXWRAGISA-N 1 0 345.399 2.469 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270242432 464230939 /nfs/dbraw/zinc/23/09/39/464230939.db2.gz PEVKDBULQGURBO-OAHLLOKOSA-N 1 0 347.415 2.164 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237448069 464321940 /nfs/dbraw/zinc/32/19/40/464321940.db2.gz XINCVLWFSGHONH-JSGCOSHPSA-N 1 0 343.387 2.122 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237589208 464345423 /nfs/dbraw/zinc/34/54/23/464345423.db2.gz JTHGMBOZFFQHJV-CMPLNLGQSA-N 1 0 341.795 2.355 20 5 EEBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000237701273 464366502 /nfs/dbraw/zinc/36/65/02/464366502.db2.gz HVWFHWZPDXYQFW-HZMBPMFUSA-N 1 0 325.796 2.377 20 5 EEBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174703401 464439225 /nfs/dbraw/zinc/43/92/25/464439225.db2.gz IVMDIJCMKIQPEW-GWCFXTLKSA-N 1 0 340.330 2.123 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000294357183 464476584 /nfs/dbraw/zinc/47/65/84/464476584.db2.gz BMZMGXSHAVPTGR-ZDUSSCGKSA-N 1 0 345.399 2.158 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285295337 464513724 /nfs/dbraw/zinc/51/37/24/464513724.db2.gz PCKFBCLHEHXAHP-CABCVRRESA-N 1 0 347.415 2.065 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000245836564 464517307 /nfs/dbraw/zinc/51/73/07/464517307.db2.gz AQWZKHSBTDQAEA-ZIAGYGMSSA-N 1 0 349.435 2.055 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[N@H+](C)C1CC1 ZINC000294508379 464520498 /nfs/dbraw/zinc/52/04/98/464520498.db2.gz HKMVGENWQXJRJY-NSHDSACASA-N 1 0 343.387 2.197 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175361178 464533409 /nfs/dbraw/zinc/53/34/09/464533409.db2.gz PDUPKVYKLGXGAP-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000272371084 464580959 /nfs/dbraw/zinc/58/09/59/464580959.db2.gz RYQXKRVRWBFYMJ-UONOGXRCSA-N 1 0 338.433 2.413 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294752529 464594984 /nfs/dbraw/zinc/59/49/84/464594984.db2.gz DIJIPSYPLXWRLN-UHFFFAOYSA-N 1 0 348.230 2.448 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272454080 464617502 /nfs/dbraw/zinc/61/75/02/464617502.db2.gz CNWFJEWRLKADFN-IOASZLSFSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000175796895 464627276 /nfs/dbraw/zinc/62/72/76/464627276.db2.gz XTQRNWVMGFWQJO-ZDUSSCGKSA-N 1 0 336.436 2.124 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285668716 464651283 /nfs/dbraw/zinc/65/12/83/464651283.db2.gz FTNPENBLANFLTM-GJZGRUSLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000272619862 464680715 /nfs/dbraw/zinc/68/07/15/464680715.db2.gz YAKVJBOFJYCXTR-UHFFFAOYSA-N 1 0 344.415 2.398 20 5 EEBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775807 464692776 /nfs/dbraw/zinc/69/27/76/464692776.db2.gz DRIWNEWMMZZDCY-WBVHZDCISA-N 1 0 349.431 2.159 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000282102169 464697392 /nfs/dbraw/zinc/69/73/92/464697392.db2.gz PHOSJILTGUOQGV-MRXNPFEDSA-N 1 0 347.415 2.497 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000176236442 464727281 /nfs/dbraw/zinc/72/72/81/464727281.db2.gz IBIGXFJKIQCQLF-UHFFFAOYSA-N 1 0 334.351 2.226 20 5 EEBDRO C[S@](=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183197843 464821019 /nfs/dbraw/zinc/82/10/19/464821019.db2.gz FJHRYDUTBNJCHY-UAVUOLJFSA-N 1 0 348.424 2.338 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183346697 464851730 /nfs/dbraw/zinc/85/17/30/464851730.db2.gz JIVNRTLLMHRMAX-NSHDSACASA-N 1 0 331.376 2.316 20 5 EEBDRO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)C1 ZINC000266917872 464871255 /nfs/dbraw/zinc/87/12/55/464871255.db2.gz GRKUZOCGBUWVAK-SNVBAGLBSA-N 1 0 335.360 2.382 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000286348175 464886883 /nfs/dbraw/zinc/88/68/83/464886883.db2.gz GVURVVJDSPFRIC-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H](CO)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000276507141 464959877 /nfs/dbraw/zinc/95/98/77/464959877.db2.gz DIRPIHDQFUDRIL-ZDUSSCGKSA-N 1 0 347.415 2.109 20 5 EEBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000192775477 464995204 /nfs/dbraw/zinc/99/52/04/464995204.db2.gz OPNLLUZSQDKJHI-MRXNPFEDSA-N 1 0 342.399 2.008 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339534459 465326944 /nfs/dbraw/zinc/32/69/44/465326944.db2.gz WNXAPPMFKSHUPH-AWEZNQCLSA-N 1 0 329.356 2.310 20 5 EEBDRO COc1cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000554606506 468430154 /nfs/dbraw/zinc/43/01/54/468430154.db2.gz WLKVAIMXOZTJAQ-ZDUSSCGKSA-N 1 0 337.420 2.432 20 5 EEBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000298545318 465428144 /nfs/dbraw/zinc/42/81/44/465428144.db2.gz NOAZCAIGMVTMPN-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO CNC(=O)c1ccc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299101585 465604385 /nfs/dbraw/zinc/60/43/85/465604385.db2.gz RYLPUHVSRNHMDA-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299307189 465690539 /nfs/dbraw/zinc/69/05/39/465690539.db2.gz UKJMALMRLYYNPW-WBVHZDCISA-N 1 0 342.399 2.293 20 5 EEBDRO Cn1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059498 465734386 /nfs/dbraw/zinc/73/43/86/465734386.db2.gz XFHQNJPUJZFRAJ-HUUCEWRRSA-N 1 0 341.415 2.037 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371451942 465803269 /nfs/dbraw/zinc/80/32/69/465803269.db2.gz NPUPYJYNGGPGHP-GDBMZVCRSA-N 1 0 332.404 2.063 20 5 EEBDRO CC1([NH3+])CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000591356377 468457805 /nfs/dbraw/zinc/45/78/05/468457805.db2.gz KJRUNPMDKPCWLU-UHFFFAOYSA-N 1 0 340.811 2.314 20 5 EEBDRO C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C[NH+](C)C ZINC000345643266 465888876 /nfs/dbraw/zinc/88/88/76/465888876.db2.gz RCVSQOSTSHAZPK-NSHDSACASA-N 1 0 333.392 3.033 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331012428 465897116 /nfs/dbraw/zinc/89/71/16/465897116.db2.gz WITUFMZAWQKUPA-HNNXBMFYSA-N 1 0 345.403 2.417 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000366825151 465956410 /nfs/dbraw/zinc/95/64/10/465956410.db2.gz UHUTVUFBVSLAIC-CABCVRRESA-N 1 0 347.415 2.415 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[NH+]3CCCCCC3)n2)cc1 ZINC000362733271 465983913 /nfs/dbraw/zinc/98/39/13/465983913.db2.gz BAFQGUFEPSHHHX-UHFFFAOYSA-N 1 0 331.376 2.933 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229214 466010493 /nfs/dbraw/zinc/01/04/93/466010493.db2.gz RROIBABDPILOCV-JJRVBVJISA-N 1 0 331.416 2.326 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[NH+](C)C ZINC000346229262 466010607 /nfs/dbraw/zinc/01/06/07/466010607.db2.gz SCXKHEZBCWLCFP-VHSXEESVSA-N 1 0 329.784 2.082 20 5 EEBDRO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301916603 466061629 /nfs/dbraw/zinc/06/16/29/466061629.db2.gz ADGHAYJJLGJFBV-SECBINFHSA-N 1 0 349.478 2.448 20 5 EEBDRO O=C(CC[NH+]1CCC(n2cccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000361525302 466072444 /nfs/dbraw/zinc/07/24/44/466072444.db2.gz HZWSJDWCKNFQDT-UHFFFAOYSA-N 1 0 343.387 2.457 20 5 EEBDRO O=C(c1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591440666 468470055 /nfs/dbraw/zinc/47/00/55/468470055.db2.gz IIKZWERSVNXBRI-CJNGLKHVSA-N 1 0 344.415 2.019 20 5 EEBDRO Cn1c(Sc2sccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000302047449 466087733 /nfs/dbraw/zinc/08/77/33/466087733.db2.gz YSPCAUQOFZWQIZ-UHFFFAOYSA-N 1 0 325.419 2.403 20 5 EEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000302461534 466143033 /nfs/dbraw/zinc/14/30/33/466143033.db2.gz ROMMZRSZJWKSAV-SFHVURJKSA-N 1 0 342.399 2.063 20 5 EEBDRO CCn1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353957034 466280695 /nfs/dbraw/zinc/28/06/95/466280695.db2.gz NLQLXGRYKINPPH-GFCCVEGCSA-N 1 0 331.376 2.318 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)CNc1ccccc1[N+](=O)[O-])CC2 ZINC000361905180 466393754 /nfs/dbraw/zinc/39/37/54/466393754.db2.gz CRYWXOYHOKAHBA-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600202191 468494062 /nfs/dbraw/zinc/49/40/62/468494062.db2.gz BBMKRVLBXXWANE-MAMYYWIDSA-N 1 0 334.416 2.311 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358127669 466479097 /nfs/dbraw/zinc/47/90/97/466479097.db2.gz RJCSKQRSYLYNNY-UHFFFAOYSA-N 1 0 325.384 2.468 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1C ZINC000332301810 466498186 /nfs/dbraw/zinc/49/81/86/466498186.db2.gz KTOJTYRZHFAXLJ-ZIAGYGMSSA-N 1 0 333.388 2.268 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347241276 466502820 /nfs/dbraw/zinc/50/28/20/466502820.db2.gz UPDPXRWHBSPKDN-CQSZACIVSA-N 1 0 342.371 2.212 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332375396 466532290 /nfs/dbraw/zinc/53/22/90/466532290.db2.gz DGOHVTPMTOJSOY-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362080233 466540147 /nfs/dbraw/zinc/54/01/47/466540147.db2.gz RJXKBXDMBGOKQG-MAUKXSAKSA-N 1 0 332.448 2.053 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCCC1 ZINC000338989925 466551492 /nfs/dbraw/zinc/55/14/92/466551492.db2.gz CWTQMKKVKNEOJY-UHFFFAOYSA-N 1 0 336.392 2.080 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312068 466554589 /nfs/dbraw/zinc/55/45/89/466554589.db2.gz PMUARBFIKFCLIT-HIFRSBDPSA-N 1 0 342.399 2.499 20 5 EEBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000363688046 466558975 /nfs/dbraw/zinc/55/89/75/466558975.db2.gz BTMKFDSCNKRQSL-LLVKDONJSA-N 1 0 336.367 2.063 20 5 EEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000591678563 468501229 /nfs/dbraw/zinc/50/12/29/468501229.db2.gz YDRVZUXLADRROE-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681351 468501857 /nfs/dbraw/zinc/50/18/57/468501857.db2.gz LBMBEMGATNNFDL-UHFFFAOYSA-N 1 0 344.396 2.366 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000322782941 466633931 /nfs/dbraw/zinc/63/39/31/466633931.db2.gz MDTNBFQIPFRIKH-XYPYZODXSA-N 1 0 342.193 2.357 20 5 EEBDRO CCOC1CC([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000347447138 466636396 /nfs/dbraw/zinc/63/63/96/466636396.db2.gz HTLGLVYHOYZHAQ-UHFFFAOYSA-N 1 0 349.387 2.392 20 5 EEBDRO O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000324794763 466649715 /nfs/dbraw/zinc/64/97/15/466649715.db2.gz MZZONLXTAJGJSM-ZFWWWQNUSA-N 1 0 332.404 2.140 20 5 EEBDRO Nc1ccc(-c2noc([C@@H]3CCn4cncc4C3)n2)cc1[N+](=O)[O-] ZINC000364234954 466690299 /nfs/dbraw/zinc/69/02/99/466690299.db2.gz NOJYLHYHIKLZNF-SNVBAGLBSA-N 1 0 326.316 2.154 20 5 EEBDRO O=[N+]([O-])c1cccc(C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C2CC2)c1 ZINC000375002794 466763812 /nfs/dbraw/zinc/76/38/12/466763812.db2.gz HLDAXOKLVMNTBF-HDICACEKSA-N 1 0 331.416 2.422 20 5 EEBDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411223093 466786549 /nfs/dbraw/zinc/78/65/49/466786549.db2.gz XLBQULOWSIUREC-GFCCVEGCSA-N 1 0 349.387 2.197 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423701027 466808111 /nfs/dbraw/zinc/80/81/11/466808111.db2.gz UQKKDTZJSFBQAB-RYUDHWBXSA-N 1 0 328.372 2.390 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCN(CC(F)F)CC1 ZINC000373759404 466912138 /nfs/dbraw/zinc/91/21/38/466912138.db2.gz IAWMAVJLLVXUMG-UHFFFAOYSA-N 1 0 329.347 2.376 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417731637 466919425 /nfs/dbraw/zinc/91/94/25/466919425.db2.gz RUCMKVQJYSYHAG-HIFRSBDPSA-N 1 0 334.420 2.357 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000423943182 466922212 /nfs/dbraw/zinc/92/22/12/466922212.db2.gz QSNVSFVOODHGLV-MRXNPFEDSA-N 1 0 334.420 2.421 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417759004 466926134 /nfs/dbraw/zinc/92/61/34/466926134.db2.gz CZCQUZPYIMZLRM-CVEARBPZSA-N 1 0 346.431 2.168 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000423957195 466927281 /nfs/dbraw/zinc/92/72/81/466927281.db2.gz PDENOBFQAQGYOP-NSHDSACASA-N 1 0 344.209 2.461 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424459607 467056319 /nfs/dbraw/zinc/05/63/19/467056319.db2.gz GSPPKVDWEWGVQN-ZIAGYGMSSA-N 1 0 349.435 2.274 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000377661277 467109458 /nfs/dbraw/zinc/10/94/58/467109458.db2.gz DVFAGHNEGAPITG-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1C ZINC000413124913 467174421 /nfs/dbraw/zinc/17/44/21/467174421.db2.gz DTRPMUFVYKJCBR-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413143810 467178321 /nfs/dbraw/zinc/17/83/21/467178321.db2.gz MAPXOQJCZYAYRQ-UHFFFAOYSA-N 1 0 343.431 2.217 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429127794 467304111 /nfs/dbraw/zinc/30/41/11/467304111.db2.gz LMDSUPUIDRTGSN-NHCYSSNCSA-N 1 0 341.795 2.211 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429246444 467315994 /nfs/dbraw/zinc/31/59/94/467315994.db2.gz RLANLSNNSDLULK-ZIAGYGMSSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420258022 467331883 /nfs/dbraw/zinc/33/18/83/467331883.db2.gz JMGFYFUNMZZQAW-BXUZGUMPSA-N 1 0 332.404 2.051 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000452157960 467334607 /nfs/dbraw/zinc/33/46/07/467334607.db2.gz BOVZJIXVIODXCP-GFCCVEGCSA-N 1 0 345.403 2.443 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430221752 467409862 /nfs/dbraw/zinc/40/98/62/467409862.db2.gz DTFCIVUZQDGTSJ-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO COC(=O)[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414499698 467414707 /nfs/dbraw/zinc/41/47/07/467414707.db2.gz ZMGBETCSAREONR-HNNXBMFYSA-N 1 0 349.431 2.255 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414664613 467426849 /nfs/dbraw/zinc/42/68/49/467426849.db2.gz TUNTTYXQUPRVHD-JKSUJKDBSA-N 1 0 348.403 2.345 20 5 EEBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000430934336 467477868 /nfs/dbraw/zinc/47/78/68/467477868.db2.gz LRRAYKMWXZFNQZ-SWLSCSKDSA-N 1 0 330.388 2.461 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448979592 467610246 /nfs/dbraw/zinc/61/02/46/467610246.db2.gz JLKYWRGVXHECCX-UHFFFAOYSA-N 1 0 331.376 2.055 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CCCO ZINC000449386969 467635391 /nfs/dbraw/zinc/63/53/91/467635391.db2.gz KEZNQKDLPYWSMX-RDJZCZTQSA-N 1 0 335.448 2.352 20 5 EEBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1(C[NH3+])CCC1 ZINC000449676242 467686483 /nfs/dbraw/zinc/68/64/83/467686483.db2.gz FZIXCEUYKPBGPW-UHFFFAOYSA-N 1 0 349.434 2.495 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449696586 467692838 /nfs/dbraw/zinc/69/28/38/467692838.db2.gz KHPMXKXGKIUPAL-HUUCEWRRSA-N 1 0 347.415 2.212 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457954393 467739230 /nfs/dbraw/zinc/73/92/30/467739230.db2.gz NVGPRWPZWCFRNP-MRXNPFEDSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000449994394 467758157 /nfs/dbraw/zinc/75/81/57/467758157.db2.gz HGHARYDFJIEVKJ-AAEUAGOBSA-N 1 0 343.387 2.197 20 5 EEBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCC[NH+](C)C ZINC000458201508 467788016 /nfs/dbraw/zinc/78/80/16/467788016.db2.gz VBUJFFROMHYOMZ-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000450790762 467908152 /nfs/dbraw/zinc/90/81/52/467908152.db2.gz HDFLXCRFQPEBJI-OKILXGFUSA-N 1 0 344.415 2.343 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000515029358 467968797 /nfs/dbraw/zinc/96/87/97/467968797.db2.gz CKTRWZWOVMVAEJ-UHFFFAOYSA-N 1 0 342.399 2.281 20 5 EEBDRO COC(=O)COc1ccc(C[N@H+](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000530500098 467989254 /nfs/dbraw/zinc/98/92/54/467989254.db2.gz RVFQTDROHNDKRV-UHFFFAOYSA-N 1 0 340.376 2.003 20 5 EEBDRO CCOc1cc(C(=O)NC(CC)(CC)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000516861932 468050713 /nfs/dbraw/zinc/05/07/13/468050713.db2.gz XWQOXSZCFOYTMR-UHFFFAOYSA-N 1 0 339.392 2.249 20 5 EEBDRO C[C@H]1CN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000532215461 468103631 /nfs/dbraw/zinc/10/36/31/468103631.db2.gz RHRRDDLFFDMVHT-WMLDXEAASA-N 1 0 333.432 2.226 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000532542108 468123855 /nfs/dbraw/zinc/12/38/55/468123855.db2.gz DYNXCDAKMZEUNI-RISCZKNCSA-N 1 0 343.387 2.182 20 5 EEBDRO CC(C)Oc1nc(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000565842585 468138935 /nfs/dbraw/zinc/13/89/35/468138935.db2.gz HKDBBHXFBMAGCH-OAHLLOKOSA-N 1 0 340.449 2.626 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000490053523 468189468 /nfs/dbraw/zinc/18/94/68/468189468.db2.gz LKXOKJKZXTVWGP-MJBXVCDLSA-N 1 0 333.388 2.140 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520363418 468245483 /nfs/dbraw/zinc/24/54/83/468245483.db2.gz KUBHLCPJTPMZIJ-STQMWFEESA-N 1 0 336.436 2.420 20 5 EEBDRO COC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000591761325 468516453 /nfs/dbraw/zinc/51/64/53/468516453.db2.gz NFONWZKNAQNXNX-HNNXBMFYSA-N 1 0 338.404 2.273 20 5 EEBDRO [NH3+][C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000582720157 468583842 /nfs/dbraw/zinc/58/38/42/468583842.db2.gz HSDSDKLRTJWKMH-QGZVFWFLSA-N 1 0 339.395 2.440 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735203 468587112 /nfs/dbraw/zinc/58/71/12/468587112.db2.gz DMXYJKJWTCVFNF-WMLDXEAASA-N 1 0 333.432 2.265 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594521707 468615295 /nfs/dbraw/zinc/61/52/95/468615295.db2.gz NVLWEXJCYKDLLM-OCCSQVGLSA-N 1 0 329.404 2.192 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594598714 468631862 /nfs/dbraw/zinc/63/18/62/468631862.db2.gz HQEZMEYAVPPOIY-HZPDHXFCSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700569 468643889 /nfs/dbraw/zinc/64/38/89/468643889.db2.gz NQJSBYJGLLQKMF-DOMZBBRYSA-N 1 0 333.388 2.109 20 5 EEBDRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592332548 468679129 /nfs/dbraw/zinc/67/91/29/468679129.db2.gz KISUCGNATPHTAW-YGRLFVJLSA-N 1 0 344.371 2.048 20 5 EEBDRO CC(C)(C)OC(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570836830 468702009 /nfs/dbraw/zinc/70/20/09/468702009.db2.gz LKAIZDFRUCTWED-UHFFFAOYSA-N 1 0 337.376 2.245 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000559637753 468750618 /nfs/dbraw/zinc/75/06/18/468750618.db2.gz ZQWPJBICYRGOBM-WBVHZDCISA-N 1 0 343.383 2.219 20 5 EEBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000601181240 468773556 /nfs/dbraw/zinc/77/35/56/468773556.db2.gz FKZCXWHZFFKIIX-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000584172753 468812834 /nfs/dbraw/zinc/81/28/34/468812834.db2.gz CUMNDBMXSLNZLO-HNNXBMFYSA-N 1 0 343.383 2.289 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595353278 468822137 /nfs/dbraw/zinc/82/21/37/468822137.db2.gz DLDHYHVEDZVTRN-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595370920 468828829 /nfs/dbraw/zinc/82/88/29/468828829.db2.gz LYVOFKNYPCWNOZ-OAGGEKHMSA-N 1 0 347.463 2.454 20 5 EEBDRO COc1cc(CN2C[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000601330526 468829023 /nfs/dbraw/zinc/82/90/23/468829023.db2.gz UMNDKIVGROGIFN-WPRPVWTQSA-N 1 0 331.319 2.126 20 5 EEBDRO CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)CCC[NH+](C)C ZINC000601409551 468862172 /nfs/dbraw/zinc/86/21/72/468862172.db2.gz ROPGOTZQWWKVMU-UHFFFAOYSA-N 1 0 329.422 2.093 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000601428552 468869080 /nfs/dbraw/zinc/86/90/80/468869080.db2.gz NCWHYTUVZQRBEQ-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000595512164 468883662 /nfs/dbraw/zinc/88/36/62/468883662.db2.gz QNOXSKKQUXVDPB-UHFFFAOYSA-N 1 0 339.411 2.306 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000561383410 468890626 /nfs/dbraw/zinc/89/06/26/468890626.db2.gz KOAVCSAUBRWRCN-BETUJISGSA-N 1 0 335.404 2.087 20 5 EEBDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536927 468892353 /nfs/dbraw/zinc/89/23/53/468892353.db2.gz XTBIWLXNKDEAGF-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560976 468913420 /nfs/dbraw/zinc/91/34/20/468913420.db2.gz OWPNFXLQPFZDJO-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cn1)OCCO2 ZINC000602658584 468993512 /nfs/dbraw/zinc/99/35/12/468993512.db2.gz LGLHQIAAXSCTOC-UHFFFAOYSA-N 1 0 329.356 2.436 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H](CC)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000610575727 469006885 /nfs/dbraw/zinc/00/68/85/469006885.db2.gz FIXBCWCRPHQSGN-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000610573693 469006918 /nfs/dbraw/zinc/00/69/18/469006918.db2.gz QNZDMUREKWJBMW-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CC(C)CC1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000595833466 469031965 /nfs/dbraw/zinc/03/19/65/469031965.db2.gz KDZYOYYYXBOIJA-UHFFFAOYSA-N 1 0 335.360 2.430 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc2c(s1)CC[NH2+]C2 ZINC000595919260 469084335 /nfs/dbraw/zinc/08/43/35/469084335.db2.gz BXOGRUQOYJNBTI-UHFFFAOYSA-N 1 0 346.412 2.144 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595937141 469091446 /nfs/dbraw/zinc/09/14/46/469091446.db2.gz RUXSXAMERBQQGG-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593706949 469103530 /nfs/dbraw/zinc/10/35/30/469103530.db2.gz JPDNNQLIFJRIPX-WFASDCNBSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CO2 ZINC000562998060 469129889 /nfs/dbraw/zinc/12/98/89/469129889.db2.gz YXMUPYZRVJSEOZ-PBHICJAKSA-N 1 0 344.367 2.366 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599160186 469142840 /nfs/dbraw/zinc/14/28/40/469142840.db2.gz ITAQZAVTHSUUQN-UHFFFAOYSA-N 1 0 340.811 2.334 20 5 EEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000573519048 469151059 /nfs/dbraw/zinc/15/10/59/469151059.db2.gz IKZGMUATOMSWRB-ZIAGYGMSSA-N 1 0 349.431 2.002 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000573560487 469161938 /nfs/dbraw/zinc/16/19/38/469161938.db2.gz IWTCTAGGOPCBAT-SMDDNHRTSA-N 1 0 343.387 2.831 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000573560484 469162142 /nfs/dbraw/zinc/16/21/42/469162142.db2.gz IWTCTAGGOPCBAT-BXUZGUMPSA-N 1 0 343.387 2.831 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602954980 469188452 /nfs/dbraw/zinc/18/84/52/469188452.db2.gz XDELFGBJYBZQBA-AWEZNQCLSA-N 1 0 347.419 2.060 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000611707051 469306133 /nfs/dbraw/zinc/30/61/33/469306133.db2.gz NEIVOZULUYWIBZ-CYBMUJFWSA-N 1 0 327.388 2.460 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000611711349 469307548 /nfs/dbraw/zinc/30/75/48/469307548.db2.gz LATPJMCTXJBHDM-BLLLJJGKSA-N 1 0 327.388 2.459 20 5 EEBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599628231 469315818 /nfs/dbraw/zinc/31/58/18/469315818.db2.gz QWIHYKMCCPRXSR-VXGBXAGGSA-N 1 0 330.331 2.454 20 5 EEBDRO Cc1ccncc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939752 469348335 /nfs/dbraw/zinc/34/83/35/469348335.db2.gz NORAGUHWHUCOKT-ZFWWWQNUSA-N 1 0 331.372 2.389 20 5 EEBDRO COc1ccc(CNC(=O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602533306 469352439 /nfs/dbraw/zinc/35/24/39/469352439.db2.gz WHUISWXIUKSFQR-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cn1 ZINC000602573100 469367175 /nfs/dbraw/zinc/36/71/75/469367175.db2.gz YPNRYEVKGTYKTG-OAHLLOKOSA-N 1 0 342.403 2.349 20 5 EEBDRO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612483570 469477816 /nfs/dbraw/zinc/47/78/16/469477816.db2.gz DECYWPXXBHGFMG-AAEUAGOBSA-N 1 0 335.379 2.438 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000604492595 469483070 /nfs/dbraw/zinc/48/30/70/469483070.db2.gz FIPMAVIGLGNUGN-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000619264417 469562547 /nfs/dbraw/zinc/56/25/47/469562547.db2.gz DQCILIBJQMBQPJ-CQSZACIVSA-N 1 0 327.388 2.498 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609962774 469972017 /nfs/dbraw/zinc/97/20/17/469972017.db2.gz ZNMFIFJHTVPWPO-LBPRGKRZSA-N 1 0 336.392 2.133 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602540609 485642484 /nfs/dbraw/zinc/64/24/84/485642484.db2.gz LKEDNDRMBQGQCL-RYUDHWBXSA-N 1 0 345.321 2.123 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000430596298 485703409 /nfs/dbraw/zinc/70/34/09/485703409.db2.gz ZYPPDWOJFSFKEG-MCIONIFRSA-N 1 0 332.404 2.057 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430595636 485703904 /nfs/dbraw/zinc/70/39/04/485703904.db2.gz VFUVPOYGSRLUFW-XJKSGUPXSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430596819 485704508 /nfs/dbraw/zinc/70/45/08/485704508.db2.gz POQZGSNEXZOAQC-LRDDRELGSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000178201687 534325223 /nfs/dbraw/zinc/32/52/23/534325223.db2.gz ZXOZRFADUOTYBB-UHFFFAOYSA-N 1 0 333.436 2.269 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192651207 528182768 /nfs/dbraw/zinc/18/27/68/528182768.db2.gz RSZYOLWEHNCBPN-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO CC(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000129771738 528467095 /nfs/dbraw/zinc/46/70/95/528467095.db2.gz UNSUEUJMKIUGKE-CQSZACIVSA-N 1 0 341.843 2.327 20 5 EEBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266530132 535167427 /nfs/dbraw/zinc/16/74/27/535167427.db2.gz LSAHGBIACVIPTR-IAGOWNOFSA-N 1 0 332.404 2.481 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246891510 535525024 /nfs/dbraw/zinc/52/50/24/535525024.db2.gz UOKOTEMZLHGMBS-YOEHRIQHSA-N 1 0 349.431 2.462 20 5 EEBDRO COC1CCC([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265219673 536731774 /nfs/dbraw/zinc/73/17/74/536731774.db2.gz NZYOMDPRNKXDHQ-UHFFFAOYSA-N 1 0 335.404 2.447 20 5 EEBDRO CC(C)[C@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586595 576277854 /nfs/dbraw/zinc/27/78/54/576277854.db2.gz MXEHICZHFMZRKL-OAHLLOKOSA-N 1 0 346.387 2.441 20 5 EEBDRO Cn1c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000731678206 577116121 /nfs/dbraw/zinc/11/61/21/577116121.db2.gz IQJWLBXIMQOKCN-MRXNPFEDSA-N 1 0 326.356 2.305 20 5 EEBDRO CCNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276473 577456407 /nfs/dbraw/zinc/45/64/07/577456407.db2.gz KBDNBZOMMTXEED-QGZVFWFLSA-N 1 0 343.383 2.168 20 5 EEBDRO COC(=O)CC1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776592659 577463781 /nfs/dbraw/zinc/46/37/81/577463781.db2.gz XBRMWNZDUDWALV-OAHLLOKOSA-N 1 0 336.388 2.484 20 5 EEBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004433 577470862 /nfs/dbraw/zinc/47/08/62/577470862.db2.gz ACDBGWGSDBMTDC-SKDRFNHKSA-N 1 0 349.309 2.479 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C ZINC000765637134 577504269 /nfs/dbraw/zinc/50/42/69/577504269.db2.gz SWAOJSDTNQMZFL-NEPJUHHUSA-N 1 0 332.404 2.398 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1)OCCO2 ZINC000767723799 577543636 /nfs/dbraw/zinc/54/36/36/577543636.db2.gz RXDHVIRSZMTRGJ-OAHLLOKOSA-N 1 0 348.330 2.328 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000770685236 577601710 /nfs/dbraw/zinc/60/17/10/577601710.db2.gz NQNKZHNQXSIRCX-HNNXBMFYSA-N 1 0 338.429 2.226 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761055682 577675181 /nfs/dbraw/zinc/67/51/81/577675181.db2.gz MHPBLNWRUKTIDD-CMPLNLGQSA-N 1 0 334.294 2.219 20 5 EEBDRO CC[N@H+](C[C@H]1CCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752790727 577776159 /nfs/dbraw/zinc/77/61/59/577776159.db2.gz BXBCPQDNSQZHNK-CQSZACIVSA-N 1 0 348.403 2.153 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754209009 577802410 /nfs/dbraw/zinc/80/24/10/577802410.db2.gz IVPCVCDSQXGVIK-GFCCVEGCSA-N 1 0 327.768 2.201 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000754704119 577811164 /nfs/dbraw/zinc/81/11/64/577811164.db2.gz LGIOSHYQAKTZPH-JQWIXIFHSA-N 1 0 347.400 2.113 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000742902215 577877765 /nfs/dbraw/zinc/87/77/65/577877765.db2.gz VVJJKPDANAQZML-GFCCVEGCSA-N 1 0 339.367 2.055 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748713190 577966002 /nfs/dbraw/zinc/96/60/02/577966002.db2.gz QXJRSSOJCGAIDQ-ZIAGYGMSSA-N 1 0 348.359 2.168 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000749639756 577979376 /nfs/dbraw/zinc/97/93/76/577979376.db2.gz QNMOJYNXOALIJC-OAHLLOKOSA-N 1 0 330.340 2.189 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000749691611 577980097 /nfs/dbraw/zinc/98/00/97/577980097.db2.gz QDWZIRSZWRHEMI-OAHLLOKOSA-N 1 0 347.327 2.335 20 5 EEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736247622 578190547 /nfs/dbraw/zinc/19/05/47/578190547.db2.gz GCSRLBLWIFVOSE-RYUDHWBXSA-N 1 0 345.407 2.450 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000175793421 675648501 /nfs/dbraw/zinc/64/85/01/675648501.db2.gz ZCPHHDBMVWELBJ-JTQLQIEISA-N 1 0 338.364 2.209 20 5 EEBDRO O=C(Cc1cscn1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022817675 678598567 /nfs/dbraw/zinc/59/85/67/678598567.db2.gz ZXYNWVJSFCJZNL-BETUJISGSA-N 1 0 346.412 2.031 20 5 EEBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261821011 681580283 /nfs/dbraw/zinc/58/02/83/681580283.db2.gz UNHYCFWZNXRGGG-QWRGUYRKSA-N 1 0 340.811 2.259 20 5 EEBDRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177925408 681596487 /nfs/dbraw/zinc/59/64/87/681596487.db2.gz WXGFGRJMDRNVFM-UHFFFAOYSA-N 1 0 337.376 2.163 20 5 EEBDRO COc1c(O)ccc(CN(CC[NH+](C)C)CC(C)C)c1[N+](=O)[O-] ZINC000894449413 682896906 /nfs/dbraw/zinc/89/69/06/682896906.db2.gz MDKCPYOOIISQBU-UHFFFAOYSA-N 1 0 325.409 2.329 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000931039173 684698377 /nfs/dbraw/zinc/69/83/77/684698377.db2.gz OQHWFJIUUSUGBQ-BXUZGUMPSA-N 1 0 331.376 2.169 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898849990 693484772 /nfs/dbraw/zinc/48/47/72/693484772.db2.gz WIBSUWQNPWANGI-LSDHHAIUSA-N 1 0 333.388 2.206 20 5 EEBDRO CCSc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000905410736 1189712263 /nfs/dbraw/zinc/71/22/63/1189712263.db2.gz YWXGWYPWAPCUEJ-CQSZACIVSA-N 1 0 336.417 2.054 20 5 EEBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCC1 ZINC000876957669 1199829378 /nfs/dbraw/zinc/82/93/78/1199829378.db2.gz YVYLPZJBJWDODD-HNNXBMFYSA-N 1 0 347.463 2.423 20 5 EEBDRO CCc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]n1 ZINC000877033620 1199850134 /nfs/dbraw/zinc/85/01/34/1199850134.db2.gz HXRDTUKKUFVVNU-UHFFFAOYSA-N 1 0 330.392 2.034 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000878188750 1200310203 /nfs/dbraw/zinc/31/02/03/1200310203.db2.gz NYQCORBYNVTOHB-KGLIPLIRSA-N 1 0 334.376 2.281 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000878188746 1200310703 /nfs/dbraw/zinc/31/07/03/1200310703.db2.gz NYQCORBYNVTOHB-KBPBESRZSA-N 1 0 334.376 2.281 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001133192260 1200576466 /nfs/dbraw/zinc/57/64/66/1200576466.db2.gz BGSWBCZFGQBMPC-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO CSc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812340782 1200670541 /nfs/dbraw/zinc/67/05/41/1200670541.db2.gz HEJJHSIALFSENB-NWDGAFQWSA-N 1 0 335.429 2.340 20 5 EEBDRO O=C(C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879529067 1201125631 /nfs/dbraw/zinc/12/56/31/1201125631.db2.gz HXBRFBXSTMQTHO-GASCZTMLSA-N 1 0 327.384 2.382 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000826113164 1201170678 /nfs/dbraw/zinc/17/06/78/1201170678.db2.gz QDPIHOZDWNPJEC-NVXWUHKLSA-N 1 0 347.415 2.105 20 5 EEBDRO CC(=O)c1cc(N2CCC(N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000866212897 1201467075 /nfs/dbraw/zinc/46/70/75/1201467075.db2.gz KNYNADKBXBBNMY-UHFFFAOYSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCOC(C)(C)C1 ZINC000866260900 1201478927 /nfs/dbraw/zinc/47/89/27/1201478927.db2.gz PBRSYJOMEBLOKD-ZDUSSCGKSA-N 1 0 339.411 2.365 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866423039 1201513803 /nfs/dbraw/zinc/51/38/03/1201513803.db2.gz LZTVEWVTKZBSRW-KGLIPLIRSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000881472143 1201705654 /nfs/dbraw/zinc/70/56/54/1201705654.db2.gz FFKNFNYXKSPMHB-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000881960201 1201794754 /nfs/dbraw/zinc/79/47/54/1201794754.db2.gz IIUJSAYVMQTMKB-AWEZNQCLSA-N 1 0 344.415 2.383 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884509684 1202329420 /nfs/dbraw/zinc/32/94/20/1202329420.db2.gz MKUHDVDCJCUIOL-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000886016780 1202463328 /nfs/dbraw/zinc/46/33/28/1202463328.db2.gz LPEOKQKHUJNMPW-CQSZACIVSA-N 1 0 338.371 2.412 20 5 EEBDRO CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C)C1 ZINC000889207325 1204587910 /nfs/dbraw/zinc/58/79/10/1204587910.db2.gz ZNIDFHPRBKRURO-CYBMUJFWSA-N 1 0 342.399 2.496 20 5 EEBDRO Cc1ccc(N(C)CCCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001095574611 1205879166 /nfs/dbraw/zinc/87/91/66/1205879166.db2.gz FFDZSLNUXXLYIH-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO O=C(NCC[NH+]1CCCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777795361 1206487457 /nfs/dbraw/zinc/48/74/57/1206487457.db2.gz LHMVNYIQPATBPB-UHFFFAOYSA-N 1 0 349.416 2.205 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H]1COCCO1 ZINC000930998290 1206598598 /nfs/dbraw/zinc/59/85/98/1206598598.db2.gz ZZXUQEJZCXYGSF-GFCCVEGCSA-N 1 0 345.193 2.205 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)no1 ZINC001019967238 1229422990 /nfs/dbraw/zinc/42/29/90/1229422990.db2.gz AOFFDHNLVGYRCK-XYPYZODXSA-N 1 0 336.373 2.003 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001040700255 1231340641 /nfs/dbraw/zinc/34/06/41/1231340641.db2.gz KWASXVAKWGGXNP-IAGOWNOFSA-N 1 0 347.459 2.467 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903128519 1239805707 /nfs/dbraw/zinc/80/57/07/1239805707.db2.gz ALMLKRZMAFJGKW-ZOBORPQBSA-N 1 0 336.392 2.206 20 5 EEBDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000903376432 1240343626 /nfs/dbraw/zinc/34/36/26/1240343626.db2.gz DXWZAYWGUCRLER-CYBMUJFWSA-N 1 0 336.388 2.294 20 5 EEBDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000815626720 1278154852 /nfs/dbraw/zinc/15/48/52/1278154852.db2.gz KNHYSONSCLSMCJ-GWCFXTLKSA-N 1 0 340.449 2.038 20 5 EEBDRO Cc1sccc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134841469 1278045155 /nfs/dbraw/zinc/04/51/55/1278045155.db2.gz JQJCNNLIXRJOOJ-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104149102 1284917271 /nfs/dbraw/zinc/91/72/71/1284917271.db2.gz OZVDWTNYIYKOKN-CYBMUJFWSA-N 1 0 334.420 2.336 20 5 EEBDRO [NH3+]C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000852905814 1292229796 /nfs/dbraw/zinc/22/97/96/1292229796.db2.gz DGBKGXFUHPTVKU-UHFFFAOYSA-N 1 0 329.759 2.318 20 5 EEBDRO COC[C@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000112960597 1293064485 /nfs/dbraw/zinc/06/44/85/1293064485.db2.gz OIADMQQTDVUTNI-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000855161306 1293093202 /nfs/dbraw/zinc/09/32/02/1293093202.db2.gz NVGCAJGJCMSSQX-JTQLQIEISA-N 1 0 338.383 2.166 20 5 EEBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000856796668 1293635777 /nfs/dbraw/zinc/63/57/77/1293635777.db2.gz XYGRATMAZSWZBN-VXGBXAGGSA-N 1 0 339.367 2.013 20 5 EEBDRO Cc1c(C(=O)OCC[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000858996268 1294288791 /nfs/dbraw/zinc/28/87/91/1294288791.db2.gz WDWRMKOGIRVZRX-UHFFFAOYSA-N 1 0 337.332 2.454 20 5 EEBDRO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217979458 1297540204 /nfs/dbraw/zinc/54/02/04/1297540204.db2.gz HIDYWBLWTKDXSG-TZMCWYRMSA-N 1 0 326.324 2.240 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2I)C[NH2+]1 ZINC001218037141 1297553131 /nfs/dbraw/zinc/55/31/31/1297553131.db2.gz KPPTWOZPLOMBBM-VXNVDRBHSA-N 1 0 348.140 2.329 20 5 EEBDRO O=c1cc(O[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218448671 1297668080 /nfs/dbraw/zinc/66/80/80/1297668080.db2.gz PCBDTGOEISATRF-LBPRGKRZSA-N 1 0 325.271 2.225 20 5 EEBDRO CC(C)(O)CC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001223050871 1299964531 /nfs/dbraw/zinc/96/45/31/1299964531.db2.gz CLPOBDZEVKESPG-UHFFFAOYSA-N 1 0 349.431 2.084 20 5 EEBDRO COC(=O)Cc1ccc(OC2CCN(CCF)CC2)c([N+](=O)[O-])c1 ZINC001226215560 1301303888 /nfs/dbraw/zinc/30/38/88/1301303888.db2.gz YTMKILVBFNCQIK-UHFFFAOYSA-N 1 0 340.351 2.123 20 5 EEBDRO CCOCCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226245433 1301320790 /nfs/dbraw/zinc/32/07/90/1301320790.db2.gz HRNTYDVWYKIIIV-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO COCC[NH+]1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001226435640 1301411492 /nfs/dbraw/zinc/41/14/92/1301411492.db2.gz DIHIFONWBOYUQI-UHFFFAOYSA-N 1 0 332.360 2.028 20 5 EEBDRO Cc1c(F)c(Br)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228328940 1302211005 /nfs/dbraw/zinc/21/10/05/1302211005.db2.gz RWRZDWADXYZZOP-SNVBAGLBSA-N 1 0 349.220 2.259 20 5 EEBDRO CN1CC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879452 1302974599 /nfs/dbraw/zinc/97/45/99/1302974599.db2.gz DEWHPYDDDXTZIM-MRVPVSSYSA-N 1 0 348.140 2.282 20 5 EEBDRO Nc1[nH]c2ccc(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC001230518358 1303241109 /nfs/dbraw/zinc/24/11/09/1303241109.db2.gz PXPBVJLFGSNFAW-HNNXBMFYSA-N 1 0 342.311 2.271 20 5 EEBDRO Cc1cc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C)cn1 ZINC000781788834 1303863484 /nfs/dbraw/zinc/86/34/84/1303863484.db2.gz LEYMIOVNKQDQFV-MRXNPFEDSA-N 1 0 340.339 2.160 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000782393251 1304057978 /nfs/dbraw/zinc/05/79/78/1304057978.db2.gz SVCQOLGQMBFSON-UHFFFAOYSA-N 1 0 338.364 2.200 20 5 EEBDRO CCC1(Nc2ccc([N+](=O)[O-])cn2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001112209211 1304334451 /nfs/dbraw/zinc/33/44/51/1304334451.db2.gz HCILJPZDUYYRTJ-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000798251841 1304962133 /nfs/dbraw/zinc/96/21/33/1304962133.db2.gz DQHJGRNCTDZZLQ-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO COCCC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120496189 1309576966 /nfs/dbraw/zinc/57/69/66/1309576966.db2.gz RZQMZWYSROZJMU-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC001120580843 1309622309 /nfs/dbraw/zinc/62/23/09/1309622309.db2.gz FUFGEPHFLUZJCI-OALUTQOASA-N 1 0 342.395 2.442 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@@H]1CSCC[NH2+]1 ZINC001122082637 1310217110 /nfs/dbraw/zinc/21/71/10/1310217110.db2.gz JRMFBTQGUPVWCH-LLVKDONJSA-N 1 0 343.836 2.002 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001122212113 1310238943 /nfs/dbraw/zinc/23/89/43/1310238943.db2.gz MEHOQKFXQAQDPG-NSHDSACASA-N 1 0 341.795 2.214 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH3+])[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584322 1310349001 /nfs/dbraw/zinc/34/90/01/1310349001.db2.gz IYRRXTJXXKZBHV-TUKIKUTGSA-N 1 0 325.384 2.296 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[C@@]23CC[NH2+]C3)n1 ZINC001247936480 1310789601 /nfs/dbraw/zinc/78/96/01/1310789601.db2.gz QNNHBGOIZLXSCM-BONVTDFDSA-N 1 0 333.323 2.426 20 5 EEBDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc([N+](=O)[O-])c(OC)n1 ZINC001160759557 1320259889 /nfs/dbraw/zinc/25/98/89/1320259889.db2.gz JJYIQBVBDGQJPW-UHFFFAOYSA-N 1 0 328.328 2.410 20 5 EEBDRO CO[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000840121481 1315301416 /nfs/dbraw/zinc/30/14/16/1315301416.db2.gz ADNQOQANBZBMKF-IUODEOHRSA-N 1 0 331.376 2.168 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000841011330 1315454367 /nfs/dbraw/zinc/45/43/67/1315454367.db2.gz NHWYAZVMQBLFOA-CQSZACIVSA-N 1 0 342.783 2.138 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000841856812 1315624766 /nfs/dbraw/zinc/62/47/66/1315624766.db2.gz BITAFLUOAYANTD-NXEZZACHSA-N 1 0 326.784 2.140 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C[NH2+]1 ZINC000841857456 1315625219 /nfs/dbraw/zinc/62/52/19/1315625219.db2.gz ZKYDIMXBSPSBDM-NXEZZACHSA-N 1 0 326.784 2.140 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000842623714 1315736253 /nfs/dbraw/zinc/73/62/53/1315736253.db2.gz ACWJDVKSBRGHES-NSHDSACASA-N 1 0 331.376 2.395 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1-n1ccnc1 ZINC000842642974 1315743118 /nfs/dbraw/zinc/74/31/18/1315743118.db2.gz WXXIVGKOKNLYDS-LLVKDONJSA-N 1 0 326.316 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843067693 1315834177 /nfs/dbraw/zinc/83/41/77/1315834177.db2.gz HBQQDROUNRRHLB-RDTXWAMCSA-N 1 0 348.374 2.208 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843289423 1315882232 /nfs/dbraw/zinc/88/22/32/1315882232.db2.gz VCHBBFLZPXLQEN-JTQLQIEISA-N 1 0 343.786 2.388 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000843377373 1315903777 /nfs/dbraw/zinc/90/37/77/1315903777.db2.gz PJXWXYHEHGIHSC-CMPLNLGQSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433687 1315914889 /nfs/dbraw/zinc/91/48/89/1315914889.db2.gz GPJPJZKUIDLZSP-SOKLDJIMSA-N 1 0 331.372 2.428 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000843455535 1315918450 /nfs/dbraw/zinc/91/84/50/1315918450.db2.gz QQAUZRWNPFTQKM-BDAKNGLRSA-N 1 0 329.759 2.139 20 5 EEBDRO Cc1ccccc1OCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149703532 1316020252 /nfs/dbraw/zinc/02/02/52/1316020252.db2.gz RLRVNVRYBAJAMZ-UHFFFAOYSA-N 1 0 349.412 2.250 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527869 1317638584 /nfs/dbraw/zinc/63/85/84/1317638584.db2.gz SAQUWDHHWMQGPI-IOASZLSFSA-N 1 0 328.372 2.179 20 5 EEBDRO NC(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC001254465834 1318081160 /nfs/dbraw/zinc/08/11/60/1318081160.db2.gz MWESABQXBSMWSB-UHFFFAOYSA-N 1 0 346.431 2.341 20 5 EEBDRO COC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474700 1318082374 /nfs/dbraw/zinc/08/23/74/1318082374.db2.gz SWWIWVKQSVUBHT-MRXNPFEDSA-N 1 0 333.388 2.201 20 5 EEBDRO C[N@H+](Cc1ccncn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483739 1318084153 /nfs/dbraw/zinc/08/41/53/1318084153.db2.gz XHLFQKXJBJRNLW-UHFFFAOYSA-N 1 0 327.388 2.486 20 5 EEBDRO COCCOc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001254549004 1318118288 /nfs/dbraw/zinc/11/82/88/1318118288.db2.gz PFJSELZPFUDVNX-CYBMUJFWSA-N 1 0 346.387 2.131 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOCC2)CC1 ZINC001254550982 1318118595 /nfs/dbraw/zinc/11/85/95/1318118595.db2.gz UVIFEWMQYNEAOH-OAHLLOKOSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCC[NH+](C)C)CC1 ZINC001254559546 1318121046 /nfs/dbraw/zinc/12/10/46/1318121046.db2.gz KVPZAACFASNWAM-INIZCTEOSA-N 1 0 334.464 2.095 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCC[NH+](C)C)CC1 ZINC001254559548 1318121634 /nfs/dbraw/zinc/12/16/34/1318121634.db2.gz KVPZAACFASNWAM-MRXNPFEDSA-N 1 0 334.464 2.095 20 5 EEBDRO Cc1c(C)c(N(Cc2ccccc2)C2(C[NH3+])COC2)ncc1[N+](=O)[O-] ZINC001156631532 1318121915 /nfs/dbraw/zinc/12/19/15/1318121915.db2.gz AZCRSVIROFNZDB-UHFFFAOYSA-N 1 0 342.399 2.341 20 5 EEBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccccc1 ZINC001254577539 1318127817 /nfs/dbraw/zinc/12/78/17/1318127817.db2.gz FJLTZHRSCDNCOF-QGZVFWFLSA-N 1 0 339.395 2.358 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)Cc1cccc(F)c1)C2 ZINC001254578249 1318129764 /nfs/dbraw/zinc/12/97/64/1318129764.db2.gz CEKIILBYQIJXCN-DLBZAZTESA-N 1 0 330.359 2.394 20 5 EEBDRO CC(C)Oc1nccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254587585 1318134298 /nfs/dbraw/zinc/13/42/98/1318134298.db2.gz QMFSNBPYVHDHRB-HNNXBMFYSA-N 1 0 328.372 2.429 20 5 EEBDRO Cc1ccn(C)c1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157089076 1318393534 /nfs/dbraw/zinc/39/35/34/1318393534.db2.gz URWKQVCAMQODGH-UHFFFAOYSA-N 1 0 336.417 2.213 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CCO[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256083000 1318642100 /nfs/dbraw/zinc/64/21/00/1318642100.db2.gz MGBMDWQLLPVGCG-IUODEOHRSA-N 1 0 335.404 2.339 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC001158309588 1319164748 /nfs/dbraw/zinc/16/47/48/1319164748.db2.gz OAVAUCHQPCBOIO-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])n1 ZINC001160195900 1320095548 /nfs/dbraw/zinc/09/55/48/1320095548.db2.gz OWSMPAXRKRBTAU-VIFPVBQESA-N 1 0 335.751 2.204 20 5 EEBDRO Cc1ccncc1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001160204407 1320098282 /nfs/dbraw/zinc/09/82/82/1320098282.db2.gz WXRDMVZPZAWMKN-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001160206685 1320098779 /nfs/dbraw/zinc/09/87/79/1320098779.db2.gz PHVRIFNMMJWMDE-LLVKDONJSA-N 1 0 337.339 2.396 20 5 EEBDRO Cc1noc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001160632879 1320217277 /nfs/dbraw/zinc/21/72/77/1320217277.db2.gz DIKNNJLPGRWLTB-UHFFFAOYSA-N 1 0 338.389 2.171 20 5 EEBDRO CCOc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160738052 1320254059 /nfs/dbraw/zinc/25/40/59/1320254059.db2.gz IXVFNWBLOSFEFW-DTWKUNHWSA-N 1 0 334.298 2.341 20 5 EEBDRO COC(=O)COc1c(C)cc(NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161736239 1320605147 /nfs/dbraw/zinc/60/51/47/1320605147.db2.gz MUIBWTWNTICDTO-UHFFFAOYSA-N 1 0 339.392 2.209 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H](c2cncc(F)c2)C2CC2)nc1C1C[NH2+]C1 ZINC001161820793 1320638455 /nfs/dbraw/zinc/63/84/55/1320638455.db2.gz OMWBULULCJHRCK-AWEZNQCLSA-N 1 0 344.350 2.169 20 5 EEBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162470048 1320865843 /nfs/dbraw/zinc/86/58/43/1320865843.db2.gz HHJCCUWPDIGYSQ-RYUDHWBXSA-N 1 0 341.433 2.046 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162802221 1320962145 /nfs/dbraw/zinc/96/21/45/1320962145.db2.gz PKQBPBPTQZVQAU-XVKPBYJWSA-N 1 0 338.717 2.230 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c2ncnc(Cl)c2c1 ZINC001162803543 1320962334 /nfs/dbraw/zinc/96/23/34/1320962334.db2.gz SNOPPNTTYUGERM-GGZOMVNGSA-N 1 0 331.763 2.377 20 5 EEBDRO CCOCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163250972 1321077175 /nfs/dbraw/zinc/07/71/75/1321077175.db2.gz MPCKMPGXNMOHCD-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(C2CC2)on1 ZINC001163492875 1321139727 /nfs/dbraw/zinc/13/97/27/1321139727.db2.gz WQIKQLBQOSAPEG-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COCCCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163587362 1321163749 /nfs/dbraw/zinc/16/37/49/1321163749.db2.gz NUQSUBHYOVFJNH-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1cccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001164490653 1321394477 /nfs/dbraw/zinc/39/44/77/1321394477.db2.gz PSXPGHHYLVOWNF-HZPDHXFCSA-N 1 0 331.416 2.036 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001165134591 1321463535 /nfs/dbraw/zinc/46/35/35/1321463535.db2.gz IEEKYROMSKCTKZ-UHFFFAOYSA-N 1 0 340.811 2.334 20 5 EEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)Cc2ccccc21 ZINC001165216858 1321475982 /nfs/dbraw/zinc/47/59/82/1321475982.db2.gz UYGJTZYHKYITSM-NSHDSACASA-N 1 0 325.372 2.195 20 5 EEBDRO [NH3+][C@@H]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1(F)F ZINC001166962251 1321826841 /nfs/dbraw/zinc/82/68/41/1321826841.db2.gz UMKHIDAUKVULSR-CYBMUJFWSA-N 1 0 335.314 2.225 20 5 EEBDRO C[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C[C@@H]1O ZINC001204858080 1322239773 /nfs/dbraw/zinc/23/97/73/1322239773.db2.gz NHHIQMWWGAEKJJ-IFXJQAMLSA-N 1 0 347.378 2.055 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001307149407 1328431891 /nfs/dbraw/zinc/43/18/91/1328431891.db2.gz IRDDHHXZQBBOCI-LSDHHAIUSA-N 1 0 335.404 2.451 20 5 EEBDRO C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC001307120075 1331510031 /nfs/dbraw/zinc/51/00/31/1331510031.db2.gz LUXDKJPHRNVBTP-AWEZNQCLSA-N 1 0 329.404 2.287 20 5 EEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@@H]1CSCC[NH2+]1 ZINC001307201305 1331516575 /nfs/dbraw/zinc/51/65/75/1331516575.db2.gz LGCPQUTWQONGSJ-SECBINFHSA-N 1 0 338.820 2.335 20 5 EEBDRO CC[N@H+](C)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001308175681 1331568868 /nfs/dbraw/zinc/56/88/68/1331568868.db2.gz FJGXHTCGBUBQON-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C(C)(C)C)CC1 ZINC001319404977 1332696256 /nfs/dbraw/zinc/69/62/56/1332696256.db2.gz ZXGPDBONOOAYFF-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001325373672 1333874990 /nfs/dbraw/zinc/87/49/90/1333874990.db2.gz YCAOIKKYYXLDLZ-UKRRQHHQSA-N 1 0 334.420 2.482 20 5 EEBDRO CC[NH+](CC)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001609222893 1351899427 /nfs/dbraw/zinc/89/94/27/1351899427.db2.gz GIWVEYONTWFTFJ-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001609307457 1351927256 /nfs/dbraw/zinc/92/72/56/1351927256.db2.gz BHRDXDYXPJNSRN-HWPZZCPQSA-N 1 0 346.391 2.068 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329989674 1334755681 /nfs/dbraw/zinc/75/56/81/1334755681.db2.gz HXNJGPKIZUAUHM-HOTGVXAUSA-N 1 0 332.404 2.493 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H]([NH2+]C3CCOCC3)C1)CCN2 ZINC001330816678 1334908620 /nfs/dbraw/zinc/90/86/20/1334908620.db2.gz GPQVTMGYVONESP-AWEZNQCLSA-N 1 0 346.431 2.300 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001338551024 1336875400 /nfs/dbraw/zinc/87/54/00/1336875400.db2.gz LXAJGPOUQNLJIT-ZIAGYGMSSA-N 1 0 331.372 2.470 20 5 EEBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340877801 1337261169 /nfs/dbraw/zinc/26/11/69/1337261169.db2.gz HBZXWUOPJOQGBP-CYBMUJFWSA-N 1 0 336.440 2.090 20 5 EEBDRO C[C@H](COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC001346036334 1337478509 /nfs/dbraw/zinc/47/85/09/1337478509.db2.gz PWCPDIREPUEZKN-LBPRGKRZSA-N 1 0 347.371 2.201 20 5 EEBDRO CC(C)(C[NH3+])C1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001575311109 1343772950 /nfs/dbraw/zinc/77/29/50/1343772950.db2.gz SVLXFRGCLXHSCK-UHFFFAOYSA-N 1 0 335.408 2.406 20 5 EEBDRO C[NH2+]CCn1c(C(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001578721484 1344297239 /nfs/dbraw/zinc/29/72/39/1344297239.db2.gz PZQDBMBGPGPMBY-UHFFFAOYSA-N 1 0 344.419 2.092 20 5 EEBDRO CNc1nccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001578763618 1344301169 /nfs/dbraw/zinc/30/11/69/1344301169.db2.gz MCBGEBCXIZKUEJ-AWEZNQCLSA-N 1 0 343.387 2.242 20 5 EEBDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001579291210 1344366053 /nfs/dbraw/zinc/36/60/53/1344366053.db2.gz GRDXBCCZJLHECS-SFHVURJKSA-N 1 0 341.367 2.020 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579577667 1344396454 /nfs/dbraw/zinc/39/64/54/1344396454.db2.gz XGOPBONYVAOUBX-AWEZNQCLSA-N 1 0 347.415 2.195 20 5 EEBDRO Cc1ccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC001579692210 1344406404 /nfs/dbraw/zinc/40/64/04/1344406404.db2.gz UZYIORJBSVGQAZ-MRXNPFEDSA-N 1 0 348.790 2.442 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001580493959 1344526493 /nfs/dbraw/zinc/52/64/93/1344526493.db2.gz ONMLLAQHIFCUHS-PYUISTEWSA-N 1 0 337.379 2.439 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001580566265 1344537650 /nfs/dbraw/zinc/53/76/50/1344537650.db2.gz PNAZFVWAJKBEOT-SJCJKPOMSA-N 1 0 342.399 2.219 20 5 EEBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC001590260624 1349235572 /nfs/dbraw/zinc/23/55/72/1349235572.db2.gz QLFBESVWZYTUIT-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590731854 1349394396 /nfs/dbraw/zinc/39/43/96/1349394396.db2.gz AAAAMJUTENTADL-LBPRGKRZSA-N 1 0 345.407 2.227 20 5 EEBDRO CC[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001604063336 1350844260 /nfs/dbraw/zinc/84/42/60/1350844260.db2.gz YDYQGLQHBFCQPN-DZGCQCFKSA-N 1 0 346.391 2.212 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001607084439 1351410883 /nfs/dbraw/zinc/41/08/83/1351410883.db2.gz GFSBGCCXWWQGKF-GFCCVEGCSA-N 1 0 343.391 2.204 20 5 EEBDRO COc1cc(C)sc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134751727 1367776209 /nfs/dbraw/zinc/77/62/09/1367776209.db2.gz BYSDXCRUAVZLBX-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554714 1368035479 /nfs/dbraw/zinc/03/54/79/1368035479.db2.gz HELLJLUMEHETRQ-LLVKDONJSA-N 1 0 326.360 2.113 20 5 EEBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815557831 1368035920 /nfs/dbraw/zinc/03/59/20/1368035920.db2.gz GMGKYTXKRGAEKL-YGRLFVJLSA-N 1 0 327.388 2.484 20 5 EEBDRO C[N@H+](CC1CCOCC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853505013 1369340971 /nfs/dbraw/zinc/34/09/71/1369340971.db2.gz GVVMZFSDJUJWIK-UHFFFAOYSA-N 1 0 331.376 2.169 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809786 1369398001 /nfs/dbraw/zinc/39/80/01/1369398001.db2.gz LWBMYSYFPQTJTQ-GFCCVEGCSA-N 1 0 332.404 2.314 20 5 EEBDRO COc1cc(CN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000863652927 1369572456 /nfs/dbraw/zinc/57/24/56/1369572456.db2.gz ZGRJDPLNSJGYIH-SECBINFHSA-N 1 0 333.335 2.026 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794623371 1369588703 /nfs/dbraw/zinc/58/87/03/1369588703.db2.gz MIWMFCQFKGEEKO-UHFFFAOYSA-N 1 0 348.403 2.266 20 5 EEBDRO Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900427967 1369923829 /nfs/dbraw/zinc/92/38/29/1369923829.db2.gz JUTAWRYAWXPLMZ-VHDGCEQUSA-N 1 0 325.372 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCO)CC2)c(Cl)c1 ZINC000782487847 1371301606 /nfs/dbraw/zinc/30/16/06/1371301606.db2.gz NFRGDSOIYIBODM-UHFFFAOYSA-N 1 0 327.812 2.138 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCO)CC2)cc1Cl ZINC000783565709 1371360527 /nfs/dbraw/zinc/36/05/27/1371360527.db2.gz WFJQCYKKPYECRP-UHFFFAOYSA-N 1 0 327.812 2.138 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116039755 1371718751 /nfs/dbraw/zinc/71/87/51/1371718751.db2.gz UGDOWWVBPLSICX-OCCSQVGLSA-N 1 0 341.433 2.054 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000831534216 1372378970 /nfs/dbraw/zinc/37/89/70/1372378970.db2.gz NPLOVGMVVIBURT-AEFFLSMTSA-N 1 0 333.432 2.231 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839536972 1372908983 /nfs/dbraw/zinc/90/89/83/1372908983.db2.gz RGYIVLXJZXEZNB-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001346938800 1372973255 /nfs/dbraw/zinc/97/32/55/1372973255.db2.gz VCGHNDKWHCTUCW-DZGCQCFKSA-N 1 0 348.451 2.090 20 5 EEBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001575446025 1403549625 /nfs/dbraw/zinc/54/96/25/1403549625.db2.gz YNDMPYIXGXJJME-OAHLLOKOSA-N 1 0 335.404 2.194 20 5 EEBDRO CC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001577821247 1403687973 /nfs/dbraw/zinc/68/79/73/1403687973.db2.gz DZIXYGBHBZBAEI-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001578422863 1403751563 /nfs/dbraw/zinc/75/15/63/1403751563.db2.gz JJIVCVYEOKXZSL-GXFFZTMASA-N 1 0 338.383 2.047 20 5 EEBDRO [NH3+]C[C@@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001580265812 1403856125 /nfs/dbraw/zinc/85/61/25/1403856125.db2.gz RCURMIYGECLTCQ-VIFPVBQESA-N 1 0 337.767 2.079 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100583751 1410674307 /nfs/dbraw/zinc/67/43/07/1410674307.db2.gz BKXLMDOHRLCZGD-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CC[NH+](CC)C1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001165053902 722001793 /nfs/dbraw/zinc/00/17/93/722001793.db2.gz RQYAPKOEFGOZLH-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2nc(Cl)ccc2[N+](=O)[O-])COC1 ZINC001167371423 758173469 /nfs/dbraw/zinc/17/34/69/758173469.db2.gz ZLYAXWUZCFUOPT-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO Cc1cc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)nn1C ZINC001167770612 769820144 /nfs/dbraw/zinc/82/01/44/769820144.db2.gz BIPDCSATTVXDTQ-UHFFFAOYSA-N 1 0 333.392 2.189 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ncnc1C1C[NH2+]C1 ZINC001168065335 783123144 /nfs/dbraw/zinc/12/31/44/783123144.db2.gz AREKQJNOPCQPJF-GXFFZTMASA-N 1 0 347.325 2.318 20 5 EEBDRO Cc1cc(C)cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981137422 776582660 /nfs/dbraw/zinc/58/26/60/776582660.db2.gz UFMUOEAYBSLVFH-IAGOWNOFSA-N 1 0 331.416 2.003 20 5 EEBDRO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001112165691 781873440 /nfs/dbraw/zinc/87/34/40/781873440.db2.gz LIWFDJMJRVQIOO-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000809732607 783315251 /nfs/dbraw/zinc/31/52/51/783315251.db2.gz GMTTWIATJZYWJQ-ZDUSSCGKSA-N 1 0 344.293 2.177 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1occ2c1CCC2 ZINC001131851562 783355248 /nfs/dbraw/zinc/35/52/48/783355248.db2.gz WURSIIMQTFFVQH-UHFFFAOYSA-N 1 0 329.356 2.196 20 5 EEBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000817297271 784663465 /nfs/dbraw/zinc/66/34/65/784663465.db2.gz PFQJYPDQFIZDOI-NSHDSACASA-N 1 0 339.348 2.177 20 5 EEBDRO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1 ZINC001035704423 784984644 /nfs/dbraw/zinc/98/46/44/784984644.db2.gz OFPZBHJMFJPQEZ-IAGOWNOFSA-N 1 0 343.427 2.085 20 5 EEBDRO Cc1c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818018880 785146029 /nfs/dbraw/zinc/14/60/29/785146029.db2.gz UZYDEKVBQCQNJC-MRXNPFEDSA-N 1 0 348.359 2.088 20 5 EEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000818942705 785335123 /nfs/dbraw/zinc/33/51/23/785335123.db2.gz IJLQFENHLNVPEW-RBUKOAKNSA-N 1 0 343.427 2.391 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000818948398 785338926 /nfs/dbraw/zinc/33/89/26/785338926.db2.gz DEQHGIKDHYKGER-MWLCHTKSSA-N 1 0 335.187 2.118 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972247 785366647 /nfs/dbraw/zinc/36/66/47/785366647.db2.gz HSAMNWFJKURSDN-BXUZGUMPSA-N 1 0 347.337 2.102 20 5 EEBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000819045397 785374775 /nfs/dbraw/zinc/37/47/75/785374775.db2.gz AWOGIKIESPPIJZ-SJORKVTESA-N 1 0 341.367 2.023 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000819265106 785497283 /nfs/dbraw/zinc/49/72/83/785497283.db2.gz BHFFULSDTMLIPX-QAPCUYQASA-N 1 0 328.368 2.481 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000114147987 786545172 /nfs/dbraw/zinc/54/51/72/786545172.db2.gz IUONSYUYHZXHHO-CQSZACIVSA-N 1 0 346.431 2.219 20 5 EEBDRO Cc1n[nH]cc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996861915 787873775 /nfs/dbraw/zinc/87/37/75/787873775.db2.gz YIBNHASBCIUCHM-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912805920 788365388 /nfs/dbraw/zinc/36/53/88/788365388.db2.gz BVXNQQMMEMGYIE-BLLLJJGKSA-N 1 0 334.420 2.369 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000843843644 788685570 /nfs/dbraw/zinc/68/55/70/788685570.db2.gz SKMGSCBPYVLJBY-QWHCGFSZSA-N 1 0 341.408 2.160 20 5 EEBDRO [NH3+]CC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000165904123 789590827 /nfs/dbraw/zinc/59/08/27/789590827.db2.gz AGFSFVHFUNFGEF-UHFFFAOYSA-N 1 0 342.193 2.359 20 5 EEBDRO CC(C)(C)c1n[nH]cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147333734 791788596 /nfs/dbraw/zinc/78/85/96/791788596.db2.gz XAROHOKCRXTFIV-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO CC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001168459044 795155536 /nfs/dbraw/zinc/15/55/36/795155536.db2.gz XVWRHUPUHAXWJB-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CC2CC2)CC1 ZINC001093852569 795734453 /nfs/dbraw/zinc/73/44/53/795734453.db2.gz PWSMQHHQHKFEAW-UHFFFAOYSA-N 1 0 346.431 2.245 20 5 EEBDRO Cc1ccnc(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001093888938 795766920 /nfs/dbraw/zinc/76/69/20/795766920.db2.gz ITFUDZYPRLHRDB-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C[NH+](CC)CC ZINC001106775851 796510309 /nfs/dbraw/zinc/51/03/09/796510309.db2.gz IGYNWIAIROWMFR-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO O=C1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]2CCCN12 ZINC001172921318 797151188 /nfs/dbraw/zinc/15/11/88/797151188.db2.gz OJAIFYLWKRKCTL-RDJZCZTQSA-N 1 0 329.400 2.149 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3COC3)CC2)c(F)c1 ZINC001173007013 797194538 /nfs/dbraw/zinc/19/45/38/797194538.db2.gz IDEGRSQAWQPPPP-UHFFFAOYSA-N 1 0 327.331 2.078 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1F ZINC001173194862 797283417 /nfs/dbraw/zinc/28/34/17/797283417.db2.gz APXQXBHXACDSKS-TYNCELHUSA-N 1 0 337.395 2.309 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095187925 797498872 /nfs/dbraw/zinc/49/88/72/797498872.db2.gz BCHOREZFHIZRLC-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095236045 797569813 /nfs/dbraw/zinc/56/98/13/797569813.db2.gz UQNZGWGWFUVAOL-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CCC[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695232 797603390 /nfs/dbraw/zinc/60/33/90/797603390.db2.gz AQWOGCXHWBWBQZ-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174477758 797778711 /nfs/dbraw/zinc/77/87/11/797778711.db2.gz VLFQOHDCXKBJEN-UHFFFAOYSA-N 1 0 341.371 2.402 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC001002418168 798048987 /nfs/dbraw/zinc/04/89/87/798048987.db2.gz PULHJINRBSVHJK-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2nonc21 ZINC000917064125 798052402 /nfs/dbraw/zinc/05/24/02/798052402.db2.gz JJNCUHDBRBYUDJ-LBPRGKRZSA-N 1 0 347.375 2.186 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110227911 799756068 /nfs/dbraw/zinc/75/60/68/799756068.db2.gz RDZXCIMILRWSEC-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786758743 806878622 /nfs/dbraw/zinc/87/86/22/806878622.db2.gz SZBFASGFIPQADT-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001086027778 801970670 /nfs/dbraw/zinc/97/06/70/801970670.db2.gz HQGAFDFXWSTIKB-XBXGTLAGSA-N 1 0 328.372 2.221 20 5 EEBDRO CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086084644 802116722 /nfs/dbraw/zinc/11/67/22/802116722.db2.gz ZOHKGSSWOMOEKO-AETAKHFUSA-N 1 0 345.443 2.460 20 5 EEBDRO [NH3+]CCN(c1cccnc1)c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001168831069 803459554 /nfs/dbraw/zinc/45/95/54/803459554.db2.gz VTJSMSNXVWNQLT-UHFFFAOYSA-N 1 0 328.307 2.169 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984272 803547961 /nfs/dbraw/zinc/54/79/61/803547961.db2.gz LPCHEFHRFIHCKR-RFGFWPKPSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962335 803551277 /nfs/dbraw/zinc/55/12/77/803551277.db2.gz LLWIAIJHSPIOMA-SEBNEYGDSA-N 1 0 339.436 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962989 803551731 /nfs/dbraw/zinc/55/17/31/803551731.db2.gz NMRLHFCRWBCGLX-SYQHCUMBSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Br)cn2)C1 ZINC001168970958 803554690 /nfs/dbraw/zinc/55/46/90/803554690.db2.gz JIIORQZAZCUEOA-ZWNOBZJWSA-N 1 0 328.210 2.422 20 5 EEBDRO COc1ccnc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991583 803558895 /nfs/dbraw/zinc/55/88/95/803558895.db2.gz HTHAIYCFDBQXJC-GJZGRUSLSA-N 1 0 349.431 2.173 20 5 EEBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001168995743 803562025 /nfs/dbraw/zinc/56/20/25/803562025.db2.gz MLOXNZISPJICTA-UHFFFAOYSA-N 1 0 347.762 2.112 20 5 EEBDRO O=C1NCCCN1c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168997187 803562389 /nfs/dbraw/zinc/56/23/89/803562389.db2.gz BWAWFWQICDHUNI-GJZGRUSLSA-N 1 0 332.404 2.141 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3noc4ccccc43)CC2)C1 ZINC001169006572 803567883 /nfs/dbraw/zinc/56/78/83/803567883.db2.gz IKXBXKAPSVPENY-KGLIPLIRSA-N 1 0 330.388 2.395 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ncc2c1cccc2C[NH3+] ZINC001169192304 803645181 /nfs/dbraw/zinc/64/51/81/803645181.db2.gz NIVRZUBNNMBWLX-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000788416059 811316502 /nfs/dbraw/zinc/31/65/02/811316502.db2.gz JILLCPMZRBRTIV-UHFFFAOYSA-N 1 0 336.369 2.424 20 5 EEBDRO CCOC(=O)C1=C(Nc2ccnc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC001170520470 812158789 /nfs/dbraw/zinc/15/87/89/812158789.db2.gz ICRGCUKWGFDIPJ-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187598005 529424502 /nfs/dbraw/zinc/42/45/02/529424502.db2.gz KIEHWNNQLDDTKO-KRWDZBQOSA-N 1 0 335.404 2.408 20 5 EEBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348899051 536663506 /nfs/dbraw/zinc/66/35/06/536663506.db2.gz ZUXOXSFMZCVZPC-UHFFFAOYSA-N 1 0 329.356 2.347 20 5 EEBDRO CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451561586 536748175 /nfs/dbraw/zinc/74/81/75/536748175.db2.gz IUSODQVMMMENEN-DOMZBBRYSA-N 1 0 349.387 2.250 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186799319 529902645 /nfs/dbraw/zinc/90/26/45/529902645.db2.gz JSOZVBCVIVFMGY-UHFFFAOYSA-N 1 0 343.330 2.362 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418771282 529933491 /nfs/dbraw/zinc/93/34/91/529933491.db2.gz OVZJKLHAIRZWFX-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO COc1ccc(OCC[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181461786 234195359 /nfs/dbraw/zinc/19/53/59/234195359.db2.gz UFKCVBIMXPIRJB-CJNGLKHVSA-N 1 0 338.404 2.465 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181493531 234206432 /nfs/dbraw/zinc/20/64/32/234206432.db2.gz AEROUNHRZQSVFV-HNNXBMFYSA-N 1 0 335.404 2.115 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000181813421 234333044 /nfs/dbraw/zinc/33/30/44/234333044.db2.gz WWFIPCMBFZWWKE-ZDUSSCGKSA-N 1 0 328.372 2.265 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000420607668 283386229 /nfs/dbraw/zinc/38/62/29/283386229.db2.gz ZLRAPXWXVDXSBJ-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262725299 291194454 /nfs/dbraw/zinc/19/44/54/291194454.db2.gz GYNIOFBXBSCAPF-OLZOCXBDSA-N 1 0 332.404 2.017 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129547567 223068723 /nfs/dbraw/zinc/06/87/23/223068723.db2.gz ANWCAYKBYXZMPC-INIZCTEOSA-N 1 0 349.431 2.018 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000131193583 223211995 /nfs/dbraw/zinc/21/19/95/223211995.db2.gz ZMBWHIYLBVJBSL-JQWIXIFHSA-N 1 0 341.795 2.355 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193287292 240091288 /nfs/dbraw/zinc/09/12/88/240091288.db2.gz KPBCEZQNWSNPFY-OAHLLOKOSA-N 1 0 343.449 2.253 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000422770412 240216343 /nfs/dbraw/zinc/21/63/43/240216343.db2.gz WNOFZDUIZCUECS-JTQLQIEISA-N 1 0 343.836 2.456 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000424038097 240806087 /nfs/dbraw/zinc/80/60/87/240806087.db2.gz HVGRUVZQEYRSJC-KRWDZBQOSA-N 1 0 347.415 2.210 20 5 EEBDRO [NH3+]C1(CNc2ccc(I)cc2[N+](=O)[O-])CCC1 ZINC000236188005 242287309 /nfs/dbraw/zinc/28/73/09/242287309.db2.gz ORCBFYLIYMCDCZ-UHFFFAOYSA-N 1 0 347.156 2.493 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000451552671 243155586 /nfs/dbraw/zinc/15/55/86/243155586.db2.gz WZUVQKVDOUDLRG-ZFWWWQNUSA-N 1 0 338.429 2.209 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000456534747 244281300 /nfs/dbraw/zinc/28/13/00/244281300.db2.gz TXCNQPKJKJUYOY-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459453749 245127591 /nfs/dbraw/zinc/12/75/91/245127591.db2.gz CNFHSCCMNPWBNJ-OKILXGFUSA-N 1 0 337.420 2.397 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc2c(s1)CCC2 ZINC000459627442 245193385 /nfs/dbraw/zinc/19/33/85/245193385.db2.gz BQVUUNDBLOWHBH-JTQLQIEISA-N 1 0 334.401 2.053 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000265008951 247132060 /nfs/dbraw/zinc/13/20/60/247132060.db2.gz FLJPWFRZTKIMSO-OAHLLOKOSA-N 1 0 334.372 2.249 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000497203372 247844212 /nfs/dbraw/zinc/84/42/12/247844212.db2.gz RJYITOOIIURDOU-NWDGAFQWSA-N 1 0 334.376 2.481 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000266112306 248105009 /nfs/dbraw/zinc/10/50/09/248105009.db2.gz HPOBVTYGVDWVIF-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108025 285144994 /nfs/dbraw/zinc/14/49/94/285144994.db2.gz VMODNAPMPOQPCL-NVXWUHKLSA-N 1 0 348.399 2.484 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000114199170 220652525 /nfs/dbraw/zinc/65/25/25/220652525.db2.gz FRFVKIFCLGYCRT-LLVKDONJSA-N 1 0 340.811 2.070 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159754881 533210872 /nfs/dbraw/zinc/21/08/72/533210872.db2.gz BYGCETBTJYJITN-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117752721 221086114 /nfs/dbraw/zinc/08/61/14/221086114.db2.gz QRLGSVULQUADNU-UHFFFAOYSA-N 1 0 325.796 2.343 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000267184890 256035520 /nfs/dbraw/zinc/03/55/20/256035520.db2.gz AOKSHLAXCPARCS-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000270598099 256152109 /nfs/dbraw/zinc/15/21/09/256152109.db2.gz VRQOFUJARPIJLL-ZDUSSCGKSA-N 1 0 331.347 2.385 20 5 EEBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842290 221194179 /nfs/dbraw/zinc/19/41/79/221194179.db2.gz VALKKKWVZMFZNI-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000270736419 256166368 /nfs/dbraw/zinc/16/63/68/256166368.db2.gz SNOHEWCJISCQNQ-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000118994747 221219435 /nfs/dbraw/zinc/21/94/35/221219435.db2.gz USOWQWUIEXIXKT-WBVHZDCISA-N 1 0 331.416 2.470 20 5 EEBDRO CCOc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123877 256210538 /nfs/dbraw/zinc/21/05/38/256210538.db2.gz KAPDJYPKSFNBKG-DZGCQCFKSA-N 1 0 337.420 2.101 20 5 EEBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1O ZINC000270860740 256180733 /nfs/dbraw/zinc/18/07/33/256180733.db2.gz ICGNFSFCXXXVRO-IMSIIYSGSA-N 1 0 341.795 2.278 20 5 EEBDRO COc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000272858537 256244318 /nfs/dbraw/zinc/24/43/18/256244318.db2.gz ROPYBLNAGBDIEK-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273096902 256264862 /nfs/dbraw/zinc/26/48/62/256264862.db2.gz UUBOUAOSPIPOPW-SJORKVTESA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCS(=O)(=O)CC1 ZINC000187070592 533505553 /nfs/dbraw/zinc/50/55/53/533505553.db2.gz BGBYWCDGNRFGJT-NEPJUHHUSA-N 1 0 326.418 2.459 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[NH+]1CCCC1 ZINC000089899752 292214448 /nfs/dbraw/zinc/21/44/48/292214448.db2.gz JKMUQOAICFKEOW-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354176363 153154362 /nfs/dbraw/zinc/15/43/62/153154362.db2.gz KBJJMYMUTIMGAW-NEPJUHHUSA-N 1 0 335.429 2.428 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000344961826 292290406 /nfs/dbraw/zinc/29/04/06/292290406.db2.gz HLZRHECNQQXZBN-KBPBESRZSA-N 1 0 335.404 2.223 20 5 EEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000261685478 160408347 /nfs/dbraw/zinc/40/83/47/160408347.db2.gz CBXRMPDBXFXCEY-INIZCTEOSA-N 1 0 328.372 2.272 20 5 EEBDRO Cc1ccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000074375062 159064077 /nfs/dbraw/zinc/06/40/77/159064077.db2.gz FWSHJOYHMIBOER-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186784884 160083544 /nfs/dbraw/zinc/08/35/44/160083544.db2.gz FSKKVGIZMCRUQX-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO CC[C@@H](CSC)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248439232 160346059 /nfs/dbraw/zinc/34/60/59/160346059.db2.gz CILNNGYMHAGBKT-QWHCGFSZSA-N 1 0 328.434 2.408 20 5 EEBDRO CSc1ccccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337355254 160635034 /nfs/dbraw/zinc/63/50/34/160635034.db2.gz DPJQVFXUSDUYMD-YPMHNXCESA-N 1 0 336.417 2.225 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000340852162 160958540 /nfs/dbraw/zinc/95/85/40/160958540.db2.gz PSDCCKXNSMSKFG-RLFYNMQTSA-N 1 0 347.415 2.493 20 5 EEBDRO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000342318821 161055908 /nfs/dbraw/zinc/05/59/08/161055908.db2.gz MRSZJHJETUDLTK-YVEFUNNKSA-N 1 0 335.404 2.284 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343319476 161124288 /nfs/dbraw/zinc/12/42/88/161124288.db2.gz KFOWIQAMUCNOKP-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000344002092 161188726 /nfs/dbraw/zinc/18/87/26/161188726.db2.gz UMQRILPRMBSENM-LBPRGKRZSA-N 1 0 341.433 2.285 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344066311 161195359 /nfs/dbraw/zinc/19/53/59/161195359.db2.gz OUVYEWFKWYSWNJ-UEEZHKSASA-N 1 0 344.371 2.409 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000345334635 161293332 /nfs/dbraw/zinc/29/33/32/161293332.db2.gz XQPZHNCZMUFZDG-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345730748 161326840 /nfs/dbraw/zinc/32/68/40/161326840.db2.gz GHQNATGOXVZIFW-ZIAGYGMSSA-N 1 0 334.420 2.261 20 5 EEBDRO CC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](CC)CC ZINC000345945341 161344448 /nfs/dbraw/zinc/34/44/48/161344448.db2.gz BCZGWAFSTPPOCL-OAHLLOKOSA-N 1 0 348.447 2.364 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC000349061241 161505507 /nfs/dbraw/zinc/50/55/07/161505507.db2.gz WNNVTODMSMRBGS-NSHDSACASA-N 1 0 330.319 2.197 20 5 EEBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000352367223 162106915 /nfs/dbraw/zinc/10/69/15/162106915.db2.gz MJWOSURKNGGYCX-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352440705 162136756 /nfs/dbraw/zinc/13/67/56/162136756.db2.gz YWKYTYBYKLTDLM-GJZGRUSLSA-N 1 0 340.383 2.127 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000352506814 162162636 /nfs/dbraw/zinc/16/26/36/162162636.db2.gz AAYOXEVMZDUQHN-AAEUAGOBSA-N 1 0 325.434 2.422 20 5 EEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000352691485 162248296 /nfs/dbraw/zinc/24/82/96/162248296.db2.gz MLQQWTPZCWACAT-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000359083377 164054054 /nfs/dbraw/zinc/05/40/54/164054054.db2.gz IPLSUJIPZIABCD-UHFFFAOYSA-N 1 0 346.387 2.136 20 5 EEBDRO CSC1(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000359293018 164104883 /nfs/dbraw/zinc/10/48/83/164104883.db2.gz OXUQKYMQXBWVRJ-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000359656555 164146149 /nfs/dbraw/zinc/14/61/49/164146149.db2.gz HLQMURAVPDPTHS-OAHLLOKOSA-N 1 0 343.449 2.240 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000360406596 164302507 /nfs/dbraw/zinc/30/25/07/164302507.db2.gz OBIAFYFQYPZQFX-ZDUSSCGKSA-N 1 0 334.376 2.305 20 5 EEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360654126 164359039 /nfs/dbraw/zinc/35/90/39/164359039.db2.gz SNEKLJCIPLVMMW-MWLCHTKSSA-N 1 0 347.824 2.009 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819649 164385473 /nfs/dbraw/zinc/38/54/73/164385473.db2.gz SXBZUXSTAAXMIK-MLGOLLRUSA-N 1 0 328.372 2.173 20 5 EEBDRO CCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000360869181 164394130 /nfs/dbraw/zinc/39/41/30/164394130.db2.gz BIEIGQORPUKOOT-INIZCTEOSA-N 1 0 347.415 2.140 20 5 EEBDRO COCC[C@@]1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000364870587 165302093 /nfs/dbraw/zinc/30/20/93/165302093.db2.gz UZYWFHRIXNOJGT-GUYCJALGSA-N 1 0 335.404 2.097 20 5 EEBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898004 166148693 /nfs/dbraw/zinc/14/86/93/166148693.db2.gz VSNWCUNFUDWKDI-ZFWWWQNUSA-N 1 0 339.779 2.344 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000370046423 166383872 /nfs/dbraw/zinc/38/38/72/166383872.db2.gz RILAOTZVBSRYIG-UHFFFAOYSA-N 1 0 329.404 2.036 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])CC2 ZINC000374891590 167061697 /nfs/dbraw/zinc/06/16/97/167061697.db2.gz GOVROEOUBUSPBE-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000245994283 292597744 /nfs/dbraw/zinc/59/77/44/292597744.db2.gz DYPBTRUOQMQJAG-JYJNAYRXSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122278835 222052581 /nfs/dbraw/zinc/05/25/81/222052581.db2.gz FWVYAYHMZCEIDI-OCCSQVGLSA-N 1 0 332.404 2.062 20 5 EEBDRO CCOCC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277431373 269155181 /nfs/dbraw/zinc/15/51/81/269155181.db2.gz GDOTWGQUKQLDHI-OAHLLOKOSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000280335282 269352958 /nfs/dbraw/zinc/35/29/58/269352958.db2.gz HYJKKCCAEYILIZ-LBPRGKRZSA-N 1 0 336.388 2.444 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237167440 274089656 /nfs/dbraw/zinc/08/96/56/274089656.db2.gz AOQZHEHZIJDBQI-VIFPVBQESA-N 1 0 349.309 2.121 20 5 EEBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000269101051 274109621 /nfs/dbraw/zinc/10/96/21/274109621.db2.gz BXJJMUGBBTZEMP-UHFFFAOYSA-N 1 0 332.404 2.067 20 5 EEBDRO CC[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCOC ZINC000275389762 274244779 /nfs/dbraw/zinc/24/47/79/274244779.db2.gz QDQMIBWODWCNHX-ZDUSSCGKSA-N 1 0 334.420 2.110 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420272143 274944038 /nfs/dbraw/zinc/94/40/38/274944038.db2.gz CZZBCHSTNXSSKH-XRMLZUONSA-N 1 0 330.388 2.407 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287253880 274948807 /nfs/dbraw/zinc/94/88/07/274948807.db2.gz RPCRBSGTSLIXCZ-YOEHRIQHSA-N 1 0 347.415 2.367 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288114621 275025362 /nfs/dbraw/zinc/02/53/62/275025362.db2.gz XYTVQAPSPYXOAZ-PBHICJAKSA-N 1 0 346.431 2.406 20 5 EEBDRO Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c(N)c([N+](=O)[O-])c1 ZINC000288799652 275086110 /nfs/dbraw/zinc/08/61/10/275086110.db2.gz RNLUTFSTKVODME-QMMMGPOBSA-N 1 0 347.400 2.010 20 5 EEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289823089 275152201 /nfs/dbraw/zinc/15/22/01/275152201.db2.gz AVHGWVHYWCXNQF-PWSUYJOCSA-N 1 0 331.397 2.491 20 5 EEBDRO CC[NH+](CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])CC(C)C ZINC000290444357 275207958 /nfs/dbraw/zinc/20/79/58/275207958.db2.gz CHGYODHCJXTIQI-LBPRGKRZSA-N 1 0 337.424 2.257 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290565892 275218502 /nfs/dbraw/zinc/21/85/02/275218502.db2.gz ZZOULWYBELWERT-UHFFFAOYSA-N 1 0 335.385 2.429 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291383081 275300041 /nfs/dbraw/zinc/30/00/41/275300041.db2.gz AWJUJKKXNBSWET-GOSISDBHSA-N 1 0 344.415 2.109 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1OCCc2sccc21 ZINC000292404342 275422826 /nfs/dbraw/zinc/42/28/26/275422826.db2.gz LNRNCFWNMHXEKG-MEDUHNTESA-N 1 0 349.412 2.110 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342413239 276053659 /nfs/dbraw/zinc/05/36/59/276053659.db2.gz AXWXSXMKFAGJRL-SMDDNHRTSA-N 1 0 326.418 2.241 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[C@@H]1CCC[NH2+]C1 ZINC000420217858 277994020 /nfs/dbraw/zinc/99/40/20/277994020.db2.gz XSGITLJRCZQOMQ-LBPRGKRZSA-N 1 0 330.388 2.375 20 5 EEBDRO CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000271137607 278163741 /nfs/dbraw/zinc/16/37/41/278163741.db2.gz OICZDORUCKZKRP-CABCVRRESA-N 1 0 337.445 2.031 20 5 EEBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000343068160 278197828 /nfs/dbraw/zinc/19/78/28/278197828.db2.gz QGZPIXDSIWGBSZ-UONOGXRCSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429055438 278226146 /nfs/dbraw/zinc/22/61/46/278226146.db2.gz SYPLOPJJDWODSX-OLZOCXBDSA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269242871 288033147 /nfs/dbraw/zinc/03/31/47/288033147.db2.gz YSAFYZLJIYYJDO-OCCSQVGLSA-N 1 0 332.404 2.004 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000424036963 278351453 /nfs/dbraw/zinc/35/14/53/278351453.db2.gz FVYBAKQAJNDPBQ-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193598863 279032927 /nfs/dbraw/zinc/03/29/27/279032927.db2.gz UJRJEZIQOKVQMF-KWQFWETISA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H](CSC(C)(C)C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123448513 279366524 /nfs/dbraw/zinc/36/65/24/279366524.db2.gz NROZEUHEKJURGE-KCPJHIHWSA-N 1 0 342.461 2.499 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000236668967 281838379 /nfs/dbraw/zinc/83/83/79/281838379.db2.gz ALUHLOVHVBLOES-CQSZACIVSA-N 1 0 332.404 2.004 20 5 EEBDRO CCc1ccc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293178460 293144690 /nfs/dbraw/zinc/14/46/90/293144690.db2.gz DKYHHRNUFAXCLN-AEFFLSMTSA-N 1 0 344.415 2.204 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000295287046 293672749 /nfs/dbraw/zinc/67/27/49/293672749.db2.gz BSVDYNKTGPVPQF-GFCCVEGCSA-N 1 0 343.387 2.051 20 5 EEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000297317600 294210100 /nfs/dbraw/zinc/21/01/00/294210100.db2.gz YXWZMSWKTRAIET-UHFFFAOYSA-N 1 0 348.359 2.250 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(C)C)CC1 ZINC000301074089 294819546 /nfs/dbraw/zinc/81/95/46/294819546.db2.gz CVVFKMCODOSUCC-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO CC[NH+]1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301087224 294821194 /nfs/dbraw/zinc/82/11/94/294821194.db2.gz LIUJDSAMBBQIET-UHFFFAOYSA-N 1 0 338.364 2.200 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301985846 294917635 /nfs/dbraw/zinc/91/76/35/294917635.db2.gz LTDMKSIKCSVVSV-UPJWGTAASA-N 1 0 332.408 2.416 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000420324220 295276378 /nfs/dbraw/zinc/27/63/78/295276378.db2.gz HCEFEIDERQRRKL-ZDUSSCGKSA-N 1 0 339.823 2.436 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000331068727 311813394 /nfs/dbraw/zinc/81/33/94/311813394.db2.gz RCLNCSNEMLRUGU-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000331275371 311833073 /nfs/dbraw/zinc/83/30/73/311833073.db2.gz DTWTXBXMKUDSNF-GFCCVEGCSA-N 1 0 343.449 2.158 20 5 EEBDRO C[C@]1(F)C[NH2+]CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414768058 313082015 /nfs/dbraw/zinc/08/20/15/313082015.db2.gz KYLXRQFVKXEPIP-AWEZNQCLSA-N 1 0 333.310 2.330 20 5 EEBDRO Cc1cc(N2CC[C@](C)([NH2+]CC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000416431443 313221850 /nfs/dbraw/zinc/22/18/50/313221850.db2.gz BFZDHBXLOCHENX-KRWDZBQOSA-N 1 0 344.371 2.094 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417728797 313578033 /nfs/dbraw/zinc/57/80/33/313578033.db2.gz PJBDCSJWYJUVDC-HZPDHXFCSA-N 1 0 346.431 2.168 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417931267 313654771 /nfs/dbraw/zinc/65/47/71/313654771.db2.gz BWYJKTJPNSUITC-HZPDHXFCSA-N 1 0 346.431 2.168 20 5 EEBDRO [NH3+]C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000418096448 313710625 /nfs/dbraw/zinc/71/06/25/313710625.db2.gz XDHBBVGMTYJLQT-UHFFFAOYSA-N 1 0 346.309 2.246 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418134624 313722288 /nfs/dbraw/zinc/72/22/88/313722288.db2.gz NPZIJBZGJNZDLK-GFCCVEGCSA-N 1 0 329.347 2.423 20 5 EEBDRO [NH3+][C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418494894 313828325 /nfs/dbraw/zinc/82/83/25/313828325.db2.gz ZMGRHGGEIIKPFK-HOCLYGCPSA-N 1 0 332.404 2.221 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418708504 313886182 /nfs/dbraw/zinc/88/61/82/313886182.db2.gz CKENBMCPKANPIN-HUUCEWRRSA-N 1 0 334.420 2.296 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@@H+]1C ZINC000421015794 314026036 /nfs/dbraw/zinc/02/60/36/314026036.db2.gz XPJHJNCJIALXQA-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000430216496 314505280 /nfs/dbraw/zinc/50/52/80/314505280.db2.gz FFTBFNKLNRQMCI-DZGCQCFKSA-N 1 0 325.434 2.081 20 5 EEBDRO CC[NH2+]CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430551876 314543269 /nfs/dbraw/zinc/54/32/69/314543269.db2.gz QQGPOKUSJCFVGT-UHFFFAOYSA-N 1 0 345.403 2.466 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000517129418 316642821 /nfs/dbraw/zinc/64/28/21/316642821.db2.gz LLQMYEDOEBCKKT-JFIYKMOQSA-N 1 0 344.415 2.468 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520854827 316883464 /nfs/dbraw/zinc/88/34/64/316883464.db2.gz FRZUHQFJDSOQOI-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000521590512 316921332 /nfs/dbraw/zinc/92/13/32/316921332.db2.gz BIKKQNMPQPPUBT-MRXNPFEDSA-N 1 0 346.431 2.483 20 5 EEBDRO CN(CCC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1 ZINC000543716068 318168184 /nfs/dbraw/zinc/16/81/84/318168184.db2.gz MIMRGAGSXPWCPF-UHFFFAOYSA-N 1 0 343.387 2.044 20 5 EEBDRO COc1ccc(OCC[NH2+]C(C)(C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000546705309 318262367 /nfs/dbraw/zinc/26/23/67/318262367.db2.gz OZQNRQJUYOZHFA-UHFFFAOYSA-N 1 0 334.376 2.241 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(OCCO)CCOCC1 ZINC000554572984 318564855 /nfs/dbraw/zinc/56/48/55/318564855.db2.gz PMBPTWPDHJNWQM-CQSZACIVSA-N 1 0 338.404 2.112 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000564280570 319075131 /nfs/dbraw/zinc/07/51/31/319075131.db2.gz HYHPZAVWCBSLAW-IVMMDQJWSA-N 1 0 332.404 2.090 20 5 EEBDRO C[NH+](C)CCOCCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000567115890 319350089 /nfs/dbraw/zinc/35/00/89/319350089.db2.gz KETGAKARPQQKTB-ZDUSSCGKSA-N 1 0 335.326 2.366 20 5 EEBDRO C[C@H]1CC2(CN1C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC000574981746 320076605 /nfs/dbraw/zinc/07/66/05/320076605.db2.gz FBWUSXVHUZYZDW-NSHDSACASA-N 1 0 343.387 2.075 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576407400 320169082 /nfs/dbraw/zinc/16/90/82/320169082.db2.gz LBBMKOZQAUSLDY-KRWDZBQOSA-N 1 0 343.387 2.021 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CCSCC1 ZINC000576747657 320200491 /nfs/dbraw/zinc/20/04/91/320200491.db2.gz AHFVBFZZLZTCAR-ZDUSSCGKSA-N 1 0 326.418 2.067 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000584053687 324787735 /nfs/dbraw/zinc/78/77/35/324787735.db2.gz UVAYKYWNCKTVQZ-MRXNPFEDSA-N 1 0 335.404 2.454 20 5 EEBDRO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000325863340 465032310 /nfs/dbraw/zinc/03/23/10/465032310.db2.gz IZVCZLUXXRBJRW-KBPBESRZSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000351494982 465184138 /nfs/dbraw/zinc/18/41/38/465184138.db2.gz PDFNMQVPCPLOOK-RDJZCZTQSA-N 1 0 335.404 2.373 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2C=C[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347771845 465218671 /nfs/dbraw/zinc/21/86/71/465218671.db2.gz AZHXINJHJUCRIS-DOMZBBRYSA-N 1 0 328.372 2.022 20 5 EEBDRO COC(=O)c1ccnc(NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590569589 468275441 /nfs/dbraw/zinc/27/54/41/468275441.db2.gz JVOGILFEJPBLFK-CQSZACIVSA-N 1 0 344.371 2.491 20 5 EEBDRO CC(C)C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000074137189 462560521 /nfs/dbraw/zinc/56/05/21/462560521.db2.gz XEOVTBHUIPTYPK-CQSZACIVSA-N 1 0 336.436 2.489 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267735 462582886 /nfs/dbraw/zinc/58/28/86/462582886.db2.gz PZPXTAXWRJZVAZ-DZGCQCFKSA-N 1 0 332.404 2.010 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000074325681 462587057 /nfs/dbraw/zinc/58/70/57/462587057.db2.gz XFJOYAQCFHXLGO-HNNXBMFYSA-N 1 0 346.431 2.197 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000045767439 462616072 /nfs/dbraw/zinc/61/60/72/462616072.db2.gz CGMTYBLSSZDQSL-CQSZACIVSA-N 1 0 346.431 2.482 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000074683524 462624324 /nfs/dbraw/zinc/62/43/24/462624324.db2.gz YTGLNAGPBTZJHD-WCQYABFASA-N 1 0 334.376 2.304 20 5 EEBDRO CC(C)[NH2+]C1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764425 462632185 /nfs/dbraw/zinc/63/21/85/462632185.db2.gz MFZUWUJHTDCKTJ-UHFFFAOYSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000047387023 462775857 /nfs/dbraw/zinc/77/58/57/462775857.db2.gz ZRSMQOHPVQKLTF-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000047416180 462779447 /nfs/dbraw/zinc/77/94/47/462779447.db2.gz FAEZIQGWNQMQQN-HUUCEWRRSA-N 1 0 349.431 2.458 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000090394074 462788286 /nfs/dbraw/zinc/78/82/86/462788286.db2.gz YVFKOXLQEQNKML-JSGCOSHPSA-N 1 0 345.403 2.307 20 5 EEBDRO C[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000065882126 462836292 /nfs/dbraw/zinc/83/62/92/462836292.db2.gz MUPNUSPTKJNEQH-UHFFFAOYSA-N 1 0 342.399 2.255 20 5 EEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000051866859 463051320 /nfs/dbraw/zinc/05/13/20/463051320.db2.gz ONMPVTLMPTUCSV-UHFFFAOYSA-N 1 0 343.387 2.235 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000568408847 468333855 /nfs/dbraw/zinc/33/38/55/468333855.db2.gz BTENEDOKCZYUFM-ZFWWWQNUSA-N 1 0 346.431 2.149 20 5 EEBDRO C[NH2+]CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000121276930 463109101 /nfs/dbraw/zinc/10/91/01/463109101.db2.gz GIGWLQAQXUKWGD-UHFFFAOYSA-N 1 0 348.325 2.141 20 5 EEBDRO COc1ccc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026156546 463152829 /nfs/dbraw/zinc/15/28/29/463152829.db2.gz RTBLVMAEAPPRIL-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO CC[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029623188 463266044 /nfs/dbraw/zinc/26/60/44/463266044.db2.gz LBJSUBDORUDPNH-GFCCVEGCSA-N 1 0 341.433 2.285 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000079999675 463270397 /nfs/dbraw/zinc/27/03/97/463270397.db2.gz NQEUIMCZGCVNOH-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782727 463427758 /nfs/dbraw/zinc/42/77/58/463427758.db2.gz KMXJCWSAWWCYGS-HUUCEWRRSA-N 1 0 346.431 2.340 20 5 EEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000150834975 463436881 /nfs/dbraw/zinc/43/68/81/463436881.db2.gz PGSDNJSPIOACET-UHFFFAOYSA-N 1 0 342.355 2.008 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000162152367 463486828 /nfs/dbraw/zinc/48/68/28/463486828.db2.gz VDRRPEKBHYYLIF-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000125166165 463511189 /nfs/dbraw/zinc/51/11/89/463511189.db2.gz VSBAUJLLJCQWCH-MRVPVSSYSA-N 1 0 338.282 2.015 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000041927702 463521814 /nfs/dbraw/zinc/52/18/14/463521814.db2.gz VXDSLDMCQDJZHN-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072878224 463558213 /nfs/dbraw/zinc/55/82/13/463558213.db2.gz BHIWGGBTOCPRDW-UHFFFAOYSA-N 1 0 349.310 2.304 20 5 EEBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000072983485 463570543 /nfs/dbraw/zinc/57/05/43/463570543.db2.gz SFPJORMWPAWPSB-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111832421 463683129 /nfs/dbraw/zinc/68/31/29/463683129.db2.gz VGRACPGCXTUWLS-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177475603 463714981 /nfs/dbraw/zinc/71/49/81/463714981.db2.gz PBVXOYWMRBDWTL-ZIAGYGMSSA-N 1 0 335.404 2.353 20 5 EEBDRO COc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276683596 463717481 /nfs/dbraw/zinc/71/74/81/463717481.db2.gz FVLKDLXZTRKPTO-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCC1 ZINC000283229210 463812575 /nfs/dbraw/zinc/81/25/75/463812575.db2.gz SVXYITDQFDBGKJ-UHFFFAOYSA-N 1 0 338.383 2.168 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000261810528 463866151 /nfs/dbraw/zinc/86/61/51/463866151.db2.gz VRDMTZKZKOECMM-GXTWGEPZSA-N 1 0 341.433 2.102 20 5 EEBDRO O=C([C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CCCC1 ZINC000287372480 463882931 /nfs/dbraw/zinc/88/29/31/463882931.db2.gz MLNPSLRVBXALPF-GFCCVEGCSA-N 1 0 344.371 2.180 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269307395 463948582 /nfs/dbraw/zinc/94/85/82/463948582.db2.gz ZJQIQKKGAVSNBU-GHMZBOCLSA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1noc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000269668788 464052239 /nfs/dbraw/zinc/05/22/39/464052239.db2.gz TWRVGHJNQQCCNI-OAHLLOKOSA-N 1 0 332.360 2.199 20 5 EEBDRO Cc1ccc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000269964004 464142263 /nfs/dbraw/zinc/14/22/63/464142263.db2.gz VWSNIHPNYJIVTG-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO CSC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292276717 464182390 /nfs/dbraw/zinc/18/23/90/464182390.db2.gz BLODZKXLVMTDFR-UKRRQHHQSA-N 1 0 340.445 2.410 20 5 EEBDRO C[C@@]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000263784111 464189704 /nfs/dbraw/zinc/18/97/04/464189704.db2.gz ZMDCITKPZJIFPF-SFHVURJKSA-N 1 0 343.383 2.354 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292374488 464212380 /nfs/dbraw/zinc/21/23/80/464212380.db2.gz RFDJEERGVVSEOE-INIZCTEOSA-N 1 0 335.429 2.485 20 5 EEBDRO CC(C)[NH+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)C ZINC000180010108 464223289 /nfs/dbraw/zinc/22/32/89/464223289.db2.gz UQYYSKXKQWHPMA-UHFFFAOYSA-N 1 0 337.376 2.172 20 5 EEBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173317902 464239220 /nfs/dbraw/zinc/23/92/20/464239220.db2.gz JECKMKNIPDRYNZ-AWEZNQCLSA-N 1 0 348.447 2.236 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000298644167 465458636 /nfs/dbraw/zinc/45/86/36/465458636.db2.gz PWQSHGJYJUPPHE-VXGBXAGGSA-N 1 0 337.376 2.041 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281145695 464350303 /nfs/dbraw/zinc/35/03/03/464350303.db2.gz KGKNBAHNMJTOHP-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237634190 464353888 /nfs/dbraw/zinc/35/38/88/464353888.db2.gz LDDIFPNYXUMZHW-WCBMZHEXSA-N 1 0 347.824 2.057 20 5 EEBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000237897514 464398853 /nfs/dbraw/zinc/39/88/53/464398853.db2.gz GJOOHHCZILWGQQ-OAHLLOKOSA-N 1 0 349.434 2.352 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264636469 464404324 /nfs/dbraw/zinc/40/43/24/464404324.db2.gz VAZOXJCTQIMBCE-KRWDZBQOSA-N 1 0 346.431 2.407 20 5 EEBDRO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000189040993 464420235 /nfs/dbraw/zinc/42/02/35/464420235.db2.gz CNTAYMGHPNKTGU-UHFFFAOYSA-N 1 0 333.388 2.080 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348181869 465476041 /nfs/dbraw/zinc/47/60/41/465476041.db2.gz KHDUPMDOPPANGG-ZFWWWQNUSA-N 1 0 335.404 2.373 20 5 EEBDRO COc1ccc(CN2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000174895009 464464768 /nfs/dbraw/zinc/46/47/68/464464768.db2.gz MFTGNOZCMPESCO-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000181330109 464473404 /nfs/dbraw/zinc/47/34/04/464473404.db2.gz FKOMZXONVWUVLC-AWEZNQCLSA-N 1 0 336.392 2.407 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000281507902 464483284 /nfs/dbraw/zinc/48/32/84/464483284.db2.gz IJHACHSIFNPLNE-UONOGXRCSA-N 1 0 347.415 2.414 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272224330 464524926 /nfs/dbraw/zinc/52/49/26/464524926.db2.gz QDSDVCQIRTWJLJ-UHFFFAOYSA-N 1 0 343.330 2.410 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1SC ZINC000272280801 464549559 /nfs/dbraw/zinc/54/95/59/464549559.db2.gz ONLFUCMKKQFVAY-NXEZZACHSA-N 1 0 339.417 2.135 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182017331 464552457 /nfs/dbraw/zinc/55/24/57/464552457.db2.gz WDERFDKAJMVDPG-MRXNPFEDSA-N 1 0 335.404 2.388 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000281754860 464574591 /nfs/dbraw/zinc/57/45/91/464574591.db2.gz RFOPWZRRSSIOOI-RBUKOAKNSA-N 1 0 342.395 2.442 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000182145071 464583233 /nfs/dbraw/zinc/58/32/33/464583233.db2.gz KLFBWCJFGXGUAE-YPMHNXCESA-N 1 0 349.387 2.126 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426757 464603768 /nfs/dbraw/zinc/60/37/68/464603768.db2.gz CEJVJLJNCUHNBB-WBVHZDCISA-N 1 0 346.431 2.263 20 5 EEBDRO CCOC(=O)c1ccnc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281888371 464622962 /nfs/dbraw/zinc/62/29/62/464622962.db2.gz OMEUAXZLCYLMTG-UHFFFAOYSA-N 1 0 336.392 2.089 20 5 EEBDRO CC1(C)CN(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000265749039 464671528 /nfs/dbraw/zinc/67/15/28/464671528.db2.gz HANVUVVDIRISLU-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000176216082 464722725 /nfs/dbraw/zinc/72/27/25/464722725.db2.gz QCMUCVBKUDWHSS-INIZCTEOSA-N 1 0 330.388 2.473 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000182831727 464736717 /nfs/dbraw/zinc/73/67/17/464736717.db2.gz QJCZRTDVKNLDIJ-LSDHHAIUSA-N 1 0 326.418 2.083 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000286053369 464788489 /nfs/dbraw/zinc/78/84/89/464788489.db2.gz HXUKNFDJUFLWES-NEPJUHHUSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](CO)O1 ZINC000191528600 464819254 /nfs/dbraw/zinc/81/92/54/464819254.db2.gz ZUHMVRYXDIQEDJ-TZMCWYRMSA-N 1 0 332.356 2.436 20 5 EEBDRO CCOC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000286308646 464874917 /nfs/dbraw/zinc/87/49/17/464874917.db2.gz WAKBMAWXDVNZGQ-OAHLLOKOSA-N 1 0 335.404 2.135 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355905 464902648 /nfs/dbraw/zinc/90/26/48/464902648.db2.gz VBEXWWWSPJQKRM-NEPJUHHUSA-N 1 0 341.433 2.283 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000286430978 464915557 /nfs/dbraw/zinc/91/55/57/464915557.db2.gz IUCXQAYHBJNVBD-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO CCC[N@H+](CCc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184508195 464987146 /nfs/dbraw/zinc/98/71/46/464987146.db2.gz ODDCEAOMABVMKS-AWEZNQCLSA-N 1 0 338.433 2.168 20 5 EEBDRO Cc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184610889 465007581 /nfs/dbraw/zinc/00/75/81/465007581.db2.gz AMEFXWNFOBVYHN-CQSZACIVSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1C ZINC000348012820 465369194 /nfs/dbraw/zinc/36/91/94/465369194.db2.gz UZGZAIBHRBTJAA-NSHDSACASA-N 1 0 331.376 2.234 20 5 EEBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298355190 465373426 /nfs/dbraw/zinc/37/34/26/465373426.db2.gz TXXSHDFILYUKMA-SJORKVTESA-N 1 0 348.399 2.385 20 5 EEBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298423025 465390945 /nfs/dbraw/zinc/39/09/45/465390945.db2.gz PQIBOFLZNVUPMJ-UHFFFAOYSA-N 1 0 339.392 2.289 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930787 465396504 /nfs/dbraw/zinc/39/65/04/465396504.db2.gz VKXBZCIAWQRORL-RYUDHWBXSA-N 1 0 328.372 2.433 20 5 EEBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCO1 ZINC000348283440 465530898 /nfs/dbraw/zinc/53/08/98/465530898.db2.gz XMVNNZQWCWRZAZ-HIFRSBDPSA-N 1 0 349.387 2.440 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000362362367 465681239 /nfs/dbraw/zinc/68/12/39/465681239.db2.gz MGBDZVHQTYRRIL-PBHICJAKSA-N 1 0 336.388 2.421 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000299325270 465698060 /nfs/dbraw/zinc/69/80/60/465698060.db2.gz ANEIEEFUTGENRR-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1c(NC(=O)CCN2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330597783 465723648 /nfs/dbraw/zinc/72/36/48/465723648.db2.gz SNOIAUKCNWGAGI-QWHCGFSZSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[N@H+](CCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1)CC1CC1 ZINC000554873901 468448992 /nfs/dbraw/zinc/44/89/92/468448992.db2.gz DXWNTBJQXHBGOO-UHFFFAOYSA-N 1 0 349.435 2.292 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000299728042 465873131 /nfs/dbraw/zinc/87/31/31/465873131.db2.gz VPWVCXBDIPXATA-OAHLLOKOSA-N 1 0 349.387 2.043 20 5 EEBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301151225 465909867 /nfs/dbraw/zinc/90/98/67/465909867.db2.gz AIVATGQNVOZVBH-UHFFFAOYSA-N 1 0 342.403 2.068 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000353523865 465950910 /nfs/dbraw/zinc/95/09/10/465950910.db2.gz CIDQFVBLCCZPNH-UKPHBRMFSA-N 1 0 343.431 2.490 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190624 465973943 /nfs/dbraw/zinc/97/39/43/465973943.db2.gz PPKYEIFLUDSGKE-CQDKDKBSSA-N 1 0 341.433 2.106 20 5 EEBDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357401323 466005647 /nfs/dbraw/zinc/00/56/47/466005647.db2.gz JUMVIEJAHPZGOO-JTQLQIEISA-N 1 0 331.376 2.234 20 5 EEBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301817187 466038845 /nfs/dbraw/zinc/03/88/45/466038845.db2.gz KAZROTMJUTVZHD-UHFFFAOYSA-N 1 0 330.392 2.290 20 5 EEBDRO COc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301911744 466059101 /nfs/dbraw/zinc/05/91/01/466059101.db2.gz COPDSDLJPQXUCQ-LBPRGKRZSA-N 1 0 339.367 2.408 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3CC[NH2+][C@H]3C2)ncc1[N+](=O)[O-] ZINC000591436912 468469242 /nfs/dbraw/zinc/46/92/42/468469242.db2.gz COCZKHQROSFBQD-ZJUUUORDSA-N 1 0 341.209 2.249 20 5 EEBDRO CCc1[nH]nc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1[N+](=O)[O-] ZINC000591453947 468472327 /nfs/dbraw/zinc/47/23/27/468472327.db2.gz VXEPODDXRQTBTG-PBINXNQUSA-N 1 0 332.364 2.271 20 5 EEBDRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000363018584 466178660 /nfs/dbraw/zinc/17/86/60/466178660.db2.gz YXFZVKJVVCSVIL-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372156314 466193228 /nfs/dbraw/zinc/19/32/28/466193228.db2.gz NWSREJFDMLNXSJ-MGPQQGTHSA-N 1 0 333.388 2.280 20 5 EEBDRO Cn1nccc1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372170805 466202606 /nfs/dbraw/zinc/20/26/06/466202606.db2.gz WGDLJERTFYRKJP-PBHICJAKSA-N 1 0 330.388 2.241 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000358036202 466403295 /nfs/dbraw/zinc/40/32/95/466403295.db2.gz KOGSMNUTWDHLFH-OCCSQVGLSA-N 1 0 326.418 2.083 20 5 EEBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000358060514 466423072 /nfs/dbraw/zinc/42/30/72/466423072.db2.gz UEHCYHYVUQWNQX-HXUWFJFHSA-N 1 0 335.407 2.184 20 5 EEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839132 466479446 /nfs/dbraw/zinc/47/94/46/466479446.db2.gz GMRYSTZVRNINJZ-GXTWGEPZSA-N 1 0 349.387 2.128 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000600205337 468494392 /nfs/dbraw/zinc/49/43/92/468494392.db2.gz BWOFTQKSJJOUKX-OUCADQQQSA-N 1 0 326.418 2.081 20 5 EEBDRO CN1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000358143023 466491343 /nfs/dbraw/zinc/49/13/43/466491343.db2.gz SHKLJKGXALVZMN-QGZVFWFLSA-N 1 0 347.440 2.480 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354354856 466500837 /nfs/dbraw/zinc/50/08/37/466500837.db2.gz RNPGPXVJUJACQE-JSGCOSHPSA-N 1 0 334.420 2.263 20 5 EEBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174200 466513704 /nfs/dbraw/zinc/51/37/04/466513704.db2.gz XXJNHPWOQOZMJR-QGZVFWFLSA-N 1 0 331.372 2.011 20 5 EEBDRO CC(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCCC1 ZINC000347407158 466617583 /nfs/dbraw/zinc/61/75/83/466617583.db2.gz LASGWTNHCNALST-HNNXBMFYSA-N 1 0 329.404 3.070 20 5 EEBDRO C[C@@H]1[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363794129 466620741 /nfs/dbraw/zinc/62/07/41/466620741.db2.gz KNKYGQNDRZLSPZ-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000347417019 466622100 /nfs/dbraw/zinc/62/21/00/466622100.db2.gz CVYHBBHUPHVKGD-MCIONIFRSA-N 1 0 347.415 2.446 20 5 EEBDRO Cc1cc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000324256699 466645383 /nfs/dbraw/zinc/64/53/83/466645383.db2.gz BVLQYSCXPWLJGA-ZWNOBZJWSA-N 1 0 335.385 2.439 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415433565 466677665 /nfs/dbraw/zinc/67/76/65/466677665.db2.gz GTLPWPRURANCTD-MRVPVSSYSA-N 1 0 332.282 2.439 20 5 EEBDRO [NH3+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000415432860 466677712 /nfs/dbraw/zinc/67/77/12/466677712.db2.gz GIKAGXYRBQNZFU-JTQLQIEISA-N 1 0 332.282 2.472 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223108 466699706 /nfs/dbraw/zinc/69/97/06/466699706.db2.gz DVTPLBUKLBAVKA-DYVFJYSZSA-N 1 0 347.415 2.353 20 5 EEBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411302099 466803803 /nfs/dbraw/zinc/80/38/03/466803803.db2.gz FFXGYBTWPASUAQ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411614712 466855802 /nfs/dbraw/zinc/85/58/02/466855802.db2.gz LDLMOTZXPOWZOB-IOASZLSFSA-N 1 0 335.404 2.405 20 5 EEBDRO O=C(NCCc1cn2c(n1)CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000365544708 466856289 /nfs/dbraw/zinc/85/62/89/466856289.db2.gz FLBXIVRQNJLGFC-UHFFFAOYSA-N 1 0 329.360 2.492 20 5 EEBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411654486 466867251 /nfs/dbraw/zinc/86/72/51/466867251.db2.gz XVWHFNFJCGFRCH-CZUORRHYSA-N 1 0 335.404 2.406 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423932799 466918624 /nfs/dbraw/zinc/91/86/24/466918624.db2.gz PZAKWDIQJMYERY-JKSUJKDBSA-N 1 0 325.368 2.009 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c1 ZINC000423962614 466929301 /nfs/dbraw/zinc/92/93/01/466929301.db2.gz OSZXYSNUHWITBF-OAHLLOKOSA-N 1 0 349.387 2.019 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424035578 466958948 /nfs/dbraw/zinc/95/89/48/466958948.db2.gz SLWJAHGCBZBYCU-SNVBAGLBSA-N 1 0 329.784 2.083 20 5 EEBDRO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365863807 466967836 /nfs/dbraw/zinc/96/78/36/466967836.db2.gz REDKXHDTUGLGJM-CQSZACIVSA-N 1 0 349.435 2.219 20 5 EEBDRO COC1([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000412027069 466970525 /nfs/dbraw/zinc/97/05/25/466970525.db2.gz UTMAXHMXGDBRCS-LBPRGKRZSA-N 1 0 333.388 2.031 20 5 EEBDRO C[C@@H]1[C@@H](CO)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066930 466993622 /nfs/dbraw/zinc/99/36/22/466993622.db2.gz DKUJANJHVFZFKY-GHMZBOCLSA-N 1 0 341.795 2.280 20 5 EEBDRO COc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424221061 467007100 /nfs/dbraw/zinc/00/71/00/467007100.db2.gz GAKLJTAEBCLFMZ-GFCCVEGCSA-N 1 0 333.388 2.208 20 5 EEBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000417983410 467010672 /nfs/dbraw/zinc/01/06/72/467010672.db2.gz FGPHBRORBOBIBK-UHFFFAOYSA-N 1 0 340.811 2.184 20 5 EEBDRO [NH3+]CC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417984568 467011219 /nfs/dbraw/zinc/01/12/19/467011219.db2.gz GNUALESVOBKNBB-UHFFFAOYSA-N 1 0 340.811 2.171 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417998336 467016695 /nfs/dbraw/zinc/01/66/95/467016695.db2.gz UUKDUGGZDKCQCN-OLZOCXBDSA-N 1 0 340.811 2.360 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417998338 467017531 /nfs/dbraw/zinc/01/75/31/467017531.db2.gz UUKDUGGZDKCQCN-STQMWFEESA-N 1 0 340.811 2.360 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000412176176 467032264 /nfs/dbraw/zinc/03/22/64/467032264.db2.gz PTETZZNUEJOYRF-WGGXSYPISA-N 1 0 329.400 2.440 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554929 467110385 /nfs/dbraw/zinc/11/03/85/467110385.db2.gz PKZMHFZSDKUIET-KRWDZBQOSA-N 1 0 347.415 2.038 20 5 EEBDRO C[C@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000413176863 467184494 /nfs/dbraw/zinc/18/44/94/467184494.db2.gz APEALSNRYYTAKY-RYUDHWBXSA-N 1 0 326.372 2.430 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc21 ZINC000413177774 467184527 /nfs/dbraw/zinc/18/45/27/467184527.db2.gz MHMWLMKYTUAUPF-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000432390182 467237025 /nfs/dbraw/zinc/23/70/25/467237025.db2.gz YLDQEPSMEKUJFC-MRXNPFEDSA-N 1 0 335.404 2.081 20 5 EEBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000452018441 467306275 /nfs/dbraw/zinc/30/62/75/467306275.db2.gz QWBYWPWSEDVYBC-OWCLPIDISA-N 1 0 333.388 2.247 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433562560 467339406 /nfs/dbraw/zinc/33/94/06/467339406.db2.gz AZBQEAWSDZMXKG-QGZVFWFLSA-N 1 0 346.431 2.453 20 5 EEBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420292627 467340782 /nfs/dbraw/zinc/34/07/82/467340782.db2.gz LTTOSKSJCSYBJV-UHFFFAOYSA-N 1 0 340.811 2.118 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420355408 467375033 /nfs/dbraw/zinc/37/50/33/467375033.db2.gz DYKHEJDNNUUFFR-CYBMUJFWSA-N 1 0 331.376 2.123 20 5 EEBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[NH2+]1 ZINC000420376250 467384067 /nfs/dbraw/zinc/38/40/67/467384067.db2.gz AJEKXFIAVTYGCV-OLZOCXBDSA-N 1 0 330.388 2.475 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000420416119 467400995 /nfs/dbraw/zinc/40/09/95/467400995.db2.gz BXXODXBHWHEBOL-LLVKDONJSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1c(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cccc1[N+](=O)[O-] ZINC000438826170 467565887 /nfs/dbraw/zinc/56/58/87/467565887.db2.gz YYOPUBNFUMINAQ-UHFFFAOYSA-N 1 0 337.339 2.665 20 5 EEBDRO C[N@H+](CCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000454732906 467612449 /nfs/dbraw/zinc/61/24/49/467612449.db2.gz VSLKRJXRRMPTJV-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C(N)=O)c1 ZINC000449057097 467615806 /nfs/dbraw/zinc/61/58/06/467615806.db2.gz AYOFZMHOIZSBHJ-CYBMUJFWSA-N 1 0 327.384 2.457 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202119 467623227 /nfs/dbraw/zinc/62/32/27/467623227.db2.gz FGOLDRCKESFIHW-CVEARBPZSA-N 1 0 331.416 2.376 20 5 EEBDRO C[C@@H](CCCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408475 467641472 /nfs/dbraw/zinc/64/14/72/467641472.db2.gz NZGGTATVLQDMKV-BBRMVZONSA-N 1 0 332.404 2.416 20 5 EEBDRO Cc1cc(OCC(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000457050997 467740711 /nfs/dbraw/zinc/74/07/11/467740711.db2.gz LTKYPEPBMXKSMA-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000457235509 467784093 /nfs/dbraw/zinc/78/40/93/467784093.db2.gz JXKMLZNLTZCYTD-UHFFFAOYSA-N 1 0 331.376 2.055 20 5 EEBDRO Cc1c(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458689150 467880475 /nfs/dbraw/zinc/88/04/75/467880475.db2.gz JSFSECIIJYQHRI-AWEZNQCLSA-N 1 0 334.420 2.434 20 5 EEBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCC[NH+]1CCCCC1 ZINC000514602139 467943190 /nfs/dbraw/zinc/94/31/90/467943190.db2.gz LWSARBBPFKOKBY-UHFFFAOYSA-N 1 0 332.360 2.288 20 5 EEBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000514707070 467949295 /nfs/dbraw/zinc/94/92/95/467949295.db2.gz WNPXESNQMOELPG-HZMBPMFUSA-N 1 0 326.418 2.340 20 5 EEBDRO CCOc1cc(NC[C@@H](C)N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000486929880 468013701 /nfs/dbraw/zinc/01/37/01/468013701.db2.gz PZEGRRRTWDPSIC-CQSZACIVSA-N 1 0 336.436 2.431 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000488036516 468068389 /nfs/dbraw/zinc/06/83/89/468068389.db2.gz RPBNPIIPGMOKHK-DOMZBBRYSA-N 1 0 335.404 2.331 20 5 EEBDRO Cc1cc(N2CCN3C(=O)OCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000495122405 468082360 /nfs/dbraw/zinc/08/23/60/468082360.db2.gz KIBRLXABUVTEMH-ZDUSSCGKSA-N 1 0 342.355 2.482 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000489264309 468125417 /nfs/dbraw/zinc/12/54/17/468125417.db2.gz LSKNGIXLUVMZJT-GDBMZVCRSA-N 1 0 349.435 2.179 20 5 EEBDRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000519517394 468163705 /nfs/dbraw/zinc/16/37/05/468163705.db2.gz DFIFTXXKEQEMPY-PBHICJAKSA-N 1 0 349.431 2.051 20 5 EEBDRO C[C@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000576534472 468167126 /nfs/dbraw/zinc/16/71/26/468167126.db2.gz QQUMVVSOWJAEJK-LBPRGKRZSA-N 1 0 337.339 2.918 20 5 EEBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000519549352 468170763 /nfs/dbraw/zinc/17/07/63/468170763.db2.gz KXMYKOUKLZDYDY-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000519824496 468218610 /nfs/dbraw/zinc/21/86/10/468218610.db2.gz WCXMBWDTKWSRJV-NSHDSACASA-N 1 0 330.344 2.375 20 5 EEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591745364 468512896 /nfs/dbraw/zinc/51/28/96/468512896.db2.gz VWQXPSMFGIHFFU-QWHCGFSZSA-N 1 0 326.393 2.128 20 5 EEBDRO CC(C)c1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000591742256 468512986 /nfs/dbraw/zinc/51/29/86/468512986.db2.gz MRWTXQHKJXRNPM-LBPRGKRZSA-N 1 0 335.360 2.236 20 5 EEBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000569809266 468545960 /nfs/dbraw/zinc/54/59/60/468545960.db2.gz YZRFFGNEJXBHIP-SNVBAGLBSA-N 1 0 343.330 2.362 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597440451 468556409 /nfs/dbraw/zinc/55/64/09/468556409.db2.gz NODWAGBCKDIUQN-INIZCTEOSA-N 1 0 344.415 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000582900558 468613927 /nfs/dbraw/zinc/61/39/27/468613927.db2.gz QDURPMVSZNHPQD-BBRMVZONSA-N 1 0 338.429 2.394 20 5 EEBDRO CCc1ccc([C@@H](NC[C@@H]2COCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600711868 468628722 /nfs/dbraw/zinc/62/87/22/468628722.db2.gz TUZLSZCITYOCTC-KDOFPFPSSA-N 1 0 345.399 2.418 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592329163 468678012 /nfs/dbraw/zinc/67/80/12/468678012.db2.gz NLNWSQACRGAMRA-SNVBAGLBSA-N 1 0 331.294 2.486 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570693995 468678994 /nfs/dbraw/zinc/67/89/94/468678994.db2.gz RTQLAFTUQXVBPG-GJZGRUSLSA-N 1 0 332.404 2.126 20 5 EEBDRO CCOc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])cc1OC ZINC000592356956 468682431 /nfs/dbraw/zinc/68/24/31/468682431.db2.gz NEUMCOMMALTBGG-JTQLQIEISA-N 1 0 334.332 2.477 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597855071 468694622 /nfs/dbraw/zinc/69/46/22/468694622.db2.gz QOKRDXNDUMDROO-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO CC[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000592488755 468709329 /nfs/dbraw/zinc/70/93/29/468709329.db2.gz NFHPAGTVOSLCFD-RISCZKNCSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000595032605 468745885 /nfs/dbraw/zinc/74/58/85/468745885.db2.gz NTQWVEHKBLCERD-WBMJQRKESA-N 1 0 338.404 2.432 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222210 468787721 /nfs/dbraw/zinc/78/77/21/468787721.db2.gz UEOQNGZIZLINMS-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)c1 ZINC000601240987 468794732 /nfs/dbraw/zinc/79/47/32/468794732.db2.gz UAHYRFZIFORQAX-CQSZACIVSA-N 1 0 328.372 2.236 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593058799 468855939 /nfs/dbraw/zinc/85/59/39/468855939.db2.gz OTYUGGPJHRUSHZ-NUEKZKHPSA-N 1 0 338.404 2.224 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000561224093 468878382 /nfs/dbraw/zinc/87/83/82/468878382.db2.gz JQJHTYZTNXRRSD-JSGCOSHPSA-N 1 0 332.404 2.180 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504811 468878967 /nfs/dbraw/zinc/87/89/67/468878967.db2.gz MRDONRQCFLTGNJ-GOSISDBHSA-N 1 0 346.431 2.259 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@H](C)n2ccnc2)cc([N+](=O)[O-])c1 ZINC000584473165 468880895 /nfs/dbraw/zinc/88/08/95/468880895.db2.gz RZCIFVHSTIMWJL-JTQLQIEISA-N 1 0 332.316 2.168 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@@H](C)n2ccnc2)cc([N+](=O)[O-])c1 ZINC000584473166 468881029 /nfs/dbraw/zinc/88/10/29/468881029.db2.gz RZCIFVHSTIMWJL-SNVBAGLBSA-N 1 0 332.316 2.168 20 5 EEBDRO CC[N@@H+]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536880 468892790 /nfs/dbraw/zinc/89/27/90/468892790.db2.gz WFWIRYYJTZDMJQ-AWEZNQCLSA-N 1 0 337.420 2.398 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537671 468904937 /nfs/dbraw/zinc/90/49/37/468904937.db2.gz LRWDXNDXXABZNZ-UHFFFAOYSA-N 1 0 347.415 2.212 20 5 EEBDRO CC(C)c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657028 468942733 /nfs/dbraw/zinc/94/27/33/468942733.db2.gz HOTYEAYUKZGOAY-GOSISDBHSA-N 1 0 344.415 2.334 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695852 468958523 /nfs/dbraw/zinc/95/85/23/468958523.db2.gz IHMHTMINKWPRLJ-UKRRQHHQSA-N 1 0 338.404 2.465 20 5 EEBDRO Cc1cccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602647351 468985144 /nfs/dbraw/zinc/98/51/44/468985144.db2.gz GYTMACWSPVGTCW-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO Cn1ccnc1[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000602678164 469006916 /nfs/dbraw/zinc/00/69/16/469006916.db2.gz CYATYVJCTGODFO-HNNXBMFYSA-N 1 0 332.404 2.220 20 5 EEBDRO COC1CC[NH+](CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000610572855 469007164 /nfs/dbraw/zinc/00/71/64/469007164.db2.gz LGWKFDYFNGKAMZ-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000602687869 469011048 /nfs/dbraw/zinc/01/10/48/469011048.db2.gz NIFRQJPXDPKHCW-OAHLLOKOSA-N 1 0 341.411 2.474 20 5 EEBDRO CC(C)c1nc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccn21 ZINC000593605508 469055897 /nfs/dbraw/zinc/05/58/97/469055897.db2.gz HVBFZWDECXSEMQ-UHFFFAOYSA-N 1 0 328.376 2.352 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598974972 469072439 /nfs/dbraw/zinc/07/24/39/469072439.db2.gz UXBDFQOZFIJARP-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925099 469086846 /nfs/dbraw/zinc/08/68/46/469086846.db2.gz RRCYGQOBFQKZQK-UONOGXRCSA-N 1 0 349.435 2.014 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[C@H](O)C3)o2)cc1 ZINC000599018508 469089163 /nfs/dbraw/zinc/08/91/63/469089163.db2.gz KRXLPQPOXPOXIB-HNNXBMFYSA-N 1 0 331.372 2.011 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587626212 469091490 /nfs/dbraw/zinc/09/14/90/469091490.db2.gz GPHIYFWPEKNRDJ-LLVKDONJSA-N 1 0 331.376 2.210 20 5 EEBDRO CN(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)F ZINC000599023334 469091720 /nfs/dbraw/zinc/09/17/20/469091720.db2.gz ROJMYHZWNQDDIH-UHFFFAOYSA-N 1 0 339.289 2.483 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595962371 469098955 /nfs/dbraw/zinc/09/89/55/469098955.db2.gz QGLHEFWOXVGWSJ-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000593730500 469112514 /nfs/dbraw/zinc/11/25/14/469112514.db2.gz JSJFPJHSXRGNNE-FZMZJTMJSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000573339860 469113593 /nfs/dbraw/zinc/11/35/93/469113593.db2.gz ZSYZNOATAQQFCD-BETUJISGSA-N 1 0 346.387 2.389 20 5 EEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)[NH2+]1 ZINC000563156388 469184355 /nfs/dbraw/zinc/18/43/55/469184355.db2.gz RKAPUHOIDISIBD-OKILXGFUSA-N 1 0 346.431 2.020 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596269654 469226755 /nfs/dbraw/zinc/22/67/55/469226755.db2.gz WQHAWZKOLPZYKN-UHFFFAOYSA-N 1 0 335.404 2.295 20 5 EEBDRO CC[N@@H+]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268609 469226802 /nfs/dbraw/zinc/22/68/02/469226802.db2.gz KKBARKAUQFKTRA-LBPRGKRZSA-N 1 0 336.392 2.005 20 5 EEBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000602445233 469318931 /nfs/dbraw/zinc/31/89/31/469318931.db2.gz UUGYLCWUODNSPK-MRXNPFEDSA-N 1 0 343.383 2.132 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000615835269 469324231 /nfs/dbraw/zinc/32/42/31/469324231.db2.gz GTZIYPJZBRYJKL-RVDMUPIBSA-N 1 0 333.432 2.387 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486166 469336884 /nfs/dbraw/zinc/33/68/84/469336884.db2.gz SSFVULAZNRIWKS-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602487645 469337856 /nfs/dbraw/zinc/33/78/56/469337856.db2.gz XLRGKFAXWBTFHJ-VIFPVBQESA-N 1 0 333.310 2.428 20 5 EEBDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602503888 469341468 /nfs/dbraw/zinc/34/14/68/469341468.db2.gz NVKDTSJSWWVQKV-UHFFFAOYSA-N 1 0 333.310 2.475 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCOC1 ZINC000602610390 469383528 /nfs/dbraw/zinc/38/35/28/469383528.db2.gz ZZJCSRXHPLKLKA-ZIAGYGMSSA-N 1 0 334.420 2.363 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000616422317 469444163 /nfs/dbraw/zinc/44/41/63/469444163.db2.gz AERDVDIEHZKVAE-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO CC[C@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000616865347 469526186 /nfs/dbraw/zinc/52/61/86/469526186.db2.gz LPPWWLICPNSCJP-AWEZNQCLSA-N 1 0 327.768 2.345 20 5 EEBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619574185 469641910 /nfs/dbraw/zinc/64/19/10/469641910.db2.gz YTQXUOGVBCIIOL-UHFFFAOYSA-N 1 0 328.372 2.434 20 5 EEBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc2ccccc2c2cccnc12 ZINC000629911788 469663501 /nfs/dbraw/zinc/66/35/01/469663501.db2.gz ACOQUNZZIPFREJ-HNNXBMFYSA-N 1 0 335.407 2.184 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386265 469924250 /nfs/dbraw/zinc/92/42/50/469924250.db2.gz NZFXHFCDFFWPLL-AWEZNQCLSA-N 1 0 334.420 2.304 20 5 EEBDRO COC[C@@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609600465 469946445 /nfs/dbraw/zinc/94/64/45/469946445.db2.gz FCWCDQDLTYAHHW-HNNXBMFYSA-N 1 0 337.401 2.205 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000609628149 469951433 /nfs/dbraw/zinc/95/14/33/469951433.db2.gz QYYANVQKBRPOKB-OAHLLOKOSA-N 1 0 342.399 2.328 20 5 EEBDRO CC(C)(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610336020 470005196 /nfs/dbraw/zinc/00/51/96/470005196.db2.gz DJHYZWJTENDAJF-INIZCTEOSA-N 1 0 332.404 2.110 20 5 EEBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000179718573 533746688 /nfs/dbraw/zinc/74/66/88/533746688.db2.gz QXLUGDXNRCLSHC-ZDUSSCGKSA-N 1 0 342.399 2.427 20 5 EEBDRO Cc1c(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000160272047 533831027 /nfs/dbraw/zinc/83/10/27/533831027.db2.gz WPKLADFDBYWYQE-KBPBESRZSA-N 1 0 349.431 2.061 20 5 EEBDRO CC1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000181279429 527940443 /nfs/dbraw/zinc/94/04/43/527940443.db2.gz ITHWLTPXAFOBGI-UHFFFAOYSA-N 1 0 334.420 2.293 20 5 EEBDRO CC(C)OCC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174898085 527962182 /nfs/dbraw/zinc/96/21/82/527962182.db2.gz BFHGDRGVJCQCBH-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000129833644 528001482 /nfs/dbraw/zinc/00/14/82/528001482.db2.gz QAXRKMHILRXRQU-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459775123 535944065 /nfs/dbraw/zinc/94/40/65/535944065.db2.gz MDBBQLJHOBYOGN-HIFRSBDPSA-N 1 0 337.376 2.089 20 5 EEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000738526763 578018313 /nfs/dbraw/zinc/01/83/13/578018313.db2.gz NVMNYBXLZRTLKD-UHFFFAOYSA-N 1 0 330.388 2.267 20 5 EEBDRO C[N@H+](CC1CCCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726588616 576278303 /nfs/dbraw/zinc/27/83/03/576278303.db2.gz AVRZNACIIOALJZ-UHFFFAOYSA-N 1 0 346.387 2.443 20 5 EEBDRO CC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727833393 576453022 /nfs/dbraw/zinc/45/30/22/576453022.db2.gz SANWBEDLXQLWQX-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000733975085 577266831 /nfs/dbraw/zinc/26/68/31/577266831.db2.gz HRNBYQDYGXZHBB-HNNXBMFYSA-N 1 0 347.419 2.037 20 5 EEBDRO CCCCNC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000734834885 577331375 /nfs/dbraw/zinc/33/13/75/577331375.db2.gz CEHPTVDCNPDQIJ-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774528386 577402272 /nfs/dbraw/zinc/40/22/72/577402272.db2.gz DMKJFTSNSSKVTB-LBPRGKRZSA-N 1 0 332.404 2.241 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000774875087 577421572 /nfs/dbraw/zinc/42/15/72/577421572.db2.gz HBJVKRILSLHQPH-CYBMUJFWSA-N 1 0 337.332 2.230 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276590 577456491 /nfs/dbraw/zinc/45/64/91/577456491.db2.gz OBCFFBIFADQTRT-QGZVFWFLSA-N 1 0 343.383 2.120 20 5 EEBDRO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579509 577463033 /nfs/dbraw/zinc/46/30/33/577463033.db2.gz MCACGCIJNKJHOL-UKRRQHHQSA-N 1 0 332.360 2.199 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CC=CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765033055 577493234 /nfs/dbraw/zinc/49/32/34/577493234.db2.gz GGIRHJODFYDBLR-OAHLLOKOSA-N 1 0 327.388 2.157 20 5 EEBDRO CC(C)(C)OC(=O)NCC(=[NH2+])NOCc1c(F)cccc1[N+](=O)[O-] ZINC000766740770 577524206 /nfs/dbraw/zinc/52/42/06/577524206.db2.gz QJICIKVHIPEURF-UHFFFAOYSA-N 1 0 342.327 2.257 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887248 577565047 /nfs/dbraw/zinc/56/50/47/577565047.db2.gz IYFDUAGHBODBGL-JTQLQIEISA-N 1 0 347.462 2.007 20 5 EEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000755170486 577821098 /nfs/dbraw/zinc/82/10/98/577821098.db2.gz SEJBDZHTVZTSHS-BMIGLBTASA-N 1 0 325.340 2.220 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000755921882 577834445 /nfs/dbraw/zinc/83/44/45/577834445.db2.gz VJAPLTRZVSDTBV-AWEZNQCLSA-N 1 0 329.404 2.411 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000749637764 577979292 /nfs/dbraw/zinc/97/92/92/577979292.db2.gz DNXHVMODVNCHIV-OAHLLOKOSA-N 1 0 330.340 2.189 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000750097899 577987070 /nfs/dbraw/zinc/98/70/70/577987070.db2.gz ZFECHLKTQGUJAA-SFHVURJKSA-N 1 0 328.368 2.435 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccccn21 ZINC000736298554 578194003 /nfs/dbraw/zinc/19/40/03/578194003.db2.gz ZPACYUOYGQILEU-CYBMUJFWSA-N 1 0 345.403 2.155 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821817984 599407716 /nfs/dbraw/zinc/40/77/16/599407716.db2.gz FQDYVEYLWHFKER-UHFFFAOYSA-N 1 0 340.343 2.073 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000820093300 606808656 /nfs/dbraw/zinc/80/86/56/606808656.db2.gz VLGHASXMEIOLTF-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO Cn1c2ccccc2c(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000891439546 676599924 /nfs/dbraw/zinc/59/99/24/676599924.db2.gz AYABZBORRTZGTI-UHFFFAOYSA-N 1 0 332.404 2.446 20 5 EEBDRO CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000891586646 676706898 /nfs/dbraw/zinc/70/68/98/676706898.db2.gz KMKNPGWDBHOKEV-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(C1CC1)C1CC1 ZINC000066078966 681352321 /nfs/dbraw/zinc/35/23/21/681352321.db2.gz KRBAFIQRGWKRDG-UHFFFAOYSA-N 1 0 329.356 2.269 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892728538 682947955 /nfs/dbraw/zinc/94/79/55/682947955.db2.gz DBRNMRNSZNVUFA-CYBMUJFWSA-N 1 0 344.415 2.367 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000894547531 682967557 /nfs/dbraw/zinc/96/75/57/682967557.db2.gz AUXYXCKZCIYKFO-OAHLLOKOSA-N 1 0 329.404 2.082 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1=CCCC1 ZINC001025734471 683253014 /nfs/dbraw/zinc/25/30/14/683253014.db2.gz ZVHYHYSZECWWDI-FVQHAEBGSA-N 1 0 327.384 2.252 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000985403480 686541893 /nfs/dbraw/zinc/54/18/93/686541893.db2.gz WQRFXDRJABBFOW-UHFFFAOYSA-N 1 0 349.431 2.179 20 5 EEBDRO CC(C)(C)CC[C@H]([NH3+])CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000904369023 694374913 /nfs/dbraw/zinc/37/49/13/694374913.db2.gz QDAFJHGXHOIRGP-AWEZNQCLSA-N 1 0 335.452 2.265 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000237397665 691046541 /nfs/dbraw/zinc/04/65/41/691046541.db2.gz DNDPZKZJSNUSQY-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000112309568 1192714702 /nfs/dbraw/zinc/71/47/02/1192714702.db2.gz HHSDIKLIIZESOH-UHFFFAOYSA-N 1 0 338.364 2.273 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936980 1189068075 /nfs/dbraw/zinc/06/80/75/1189068075.db2.gz ZRGWPHDRMJAQPV-IAGOWNOFSA-N 1 0 331.416 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCN(C3COC3)C2)c2ccncc21 ZINC001168369810 1189613952 /nfs/dbraw/zinc/61/39/52/1189613952.db2.gz NPRWVTOKSBZJJV-GFCCVEGCSA-N 1 0 328.372 2.418 20 5 EEBDRO C[N@H+](Cc1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C ZINC000905812602 1189920295 /nfs/dbraw/zinc/92/02/95/1189920295.db2.gz IIUVTUPWVGRMFN-OAHLLOKOSA-N 1 0 333.392 2.150 20 5 EEBDRO O=C(CCCC1CCOCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128846435 1195801561 /nfs/dbraw/zinc/80/15/61/1195801561.db2.gz WMSRNUXQOJLPMP-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001034570885 1196400818 /nfs/dbraw/zinc/40/08/18/1196400818.db2.gz QBSHUNFSWFCOFE-HAQNSBGRSA-N 1 0 327.331 2.377 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H](C)[N@H+]1CCO ZINC000865854113 1198404412 /nfs/dbraw/zinc/40/44/12/1198404412.db2.gz LTZAJVOTBPKDLJ-PHIMTYICSA-N 1 0 329.347 2.424 20 5 EEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000125036313 1198905841 /nfs/dbraw/zinc/90/58/41/1198905841.db2.gz SVEAQGSLBDMFLL-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO CSC1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000813281914 1198944612 /nfs/dbraw/zinc/94/46/12/1198944612.db2.gz KCNQNQRAYMPZQI-UHFFFAOYSA-N 1 0 341.408 2.291 20 5 EEBDRO COc1csc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001132245887 1199495235 /nfs/dbraw/zinc/49/52/35/1199495235.db2.gz MUORHUKCZYDWNP-UHFFFAOYSA-N 1 0 335.385 2.185 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(C2CC2)no1 ZINC001134538203 1199653977 /nfs/dbraw/zinc/65/39/77/1199653977.db2.gz PRCINCXLVJQORC-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO CON1CCC([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878697341 1200625419 /nfs/dbraw/zinc/62/54/19/1200625419.db2.gz HGXBZBYOZUWVGB-UHFFFAOYSA-N 1 0 347.375 2.102 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000866382986 1201504619 /nfs/dbraw/zinc/50/46/19/1201504619.db2.gz BELWYKVFRHKQQN-VXGBXAGGSA-N 1 0 335.379 2.265 20 5 EEBDRO C[NH2+]CCOc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000884064878 1202221799 /nfs/dbraw/zinc/22/17/99/1202221799.db2.gz WRTHXDLOGHGGHY-UHFFFAOYSA-N 1 0 341.367 2.396 20 5 EEBDRO CC1(C)[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000884361009 1202301478 /nfs/dbraw/zinc/30/14/78/1202301478.db2.gz KFCKQLBNPFFCAR-NWDGAFQWSA-N 1 0 329.759 2.172 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000884856025 1202366605 /nfs/dbraw/zinc/36/66/05/1202366605.db2.gz XXVNHXQVEQJNFI-LLVKDONJSA-N 1 0 344.400 2.414 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929459000 1206476870 /nfs/dbraw/zinc/47/68/70/1206476870.db2.gz FEAHVGXZTYOKHX-DLBZAZTESA-N 1 0 331.416 2.499 20 5 EEBDRO CSCC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000932587435 1207631830 /nfs/dbraw/zinc/63/18/30/1207631830.db2.gz KMWBGTIXAVMMTN-AWEZNQCLSA-N 1 0 340.445 2.410 20 5 EEBDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934233361 1207927739 /nfs/dbraw/zinc/92/77/39/1207927739.db2.gz GKVUZEXHWOSMNR-CYBMUJFWSA-N 1 0 340.383 2.100 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000934439793 1207964184 /nfs/dbraw/zinc/96/41/84/1207964184.db2.gz ZFFSHMKFTDAACG-NZSAHSFTSA-N 1 0 342.395 2.164 20 5 EEBDRO CC(C)(C)C(=O)NCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001111317281 1210293584 /nfs/dbraw/zinc/29/35/84/1210293584.db2.gz NZDNBWQNNVPBLT-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1F ZINC000827708348 1248661764 /nfs/dbraw/zinc/66/17/64/1248661764.db2.gz YDOSBMSHASTPSV-JTQLQIEISA-N 1 0 327.331 2.205 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC001019937326 1229411426 /nfs/dbraw/zinc/41/14/26/1229411426.db2.gz CZJFVHKTPRVEJC-SHTZXODSSA-N 1 0 326.356 2.040 20 5 EEBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801869132 1236326549 /nfs/dbraw/zinc/32/65/49/1236326549.db2.gz UMPPWZQVYIWRPK-UHFFFAOYSA-N 1 0 344.371 2.244 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902996223 1239290989 /nfs/dbraw/zinc/29/09/89/1239290989.db2.gz JBBRYFVLRQDLKT-LLVKDONJSA-N 1 0 325.340 2.366 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827071659 1249782293 /nfs/dbraw/zinc/78/22/93/1249782293.db2.gz WPGFBVIHUAZZPZ-UHFFFAOYSA-N 1 0 340.399 2.214 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000827411320 1248007133 /nfs/dbraw/zinc/00/71/33/1248007133.db2.gz QZZYRUZUEFRSRR-HNNXBMFYSA-N 1 0 347.415 2.375 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827497067 1248229796 /nfs/dbraw/zinc/22/97/96/1248229796.db2.gz SFQGZKNTNHVBBA-OLZOCXBDSA-N 1 0 328.372 2.418 20 5 EEBDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850562880 1277265550 /nfs/dbraw/zinc/26/55/50/1277265550.db2.gz PWYZBUWOTBTZMI-PXAZEXFGSA-N 1 0 337.420 2.395 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104134366 1284913888 /nfs/dbraw/zinc/91/38/88/1284913888.db2.gz YRKXKVLYTUKGDD-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000867306681 1285560851 /nfs/dbraw/zinc/56/08/51/1285560851.db2.gz ANZPOPUYRXHLBJ-UHFFFAOYSA-N 1 0 334.781 2.051 20 5 EEBDRO CO[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@@H]1C ZINC000853516689 1292405622 /nfs/dbraw/zinc/40/56/22/1292405622.db2.gz NTUWVXHIFAAPLD-WFASDCNBSA-N 1 0 331.376 2.168 20 5 EEBDRO COc1cc(NCCN2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800174 1292459103 /nfs/dbraw/zinc/45/91/03/1292459103.db2.gz TWFVYIXNYCQBAP-NWDGAFQWSA-N 1 0 339.392 2.133 20 5 EEBDRO C[C@](N)(c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1 ZINC001211445293 1295901818 /nfs/dbraw/zinc/90/18/18/1295901818.db2.gz UKFOTDSBXYENSO-OAHLLOKOSA-N 1 0 329.291 2.401 20 5 EEBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c1Cl ZINC001218110362 1297577195 /nfs/dbraw/zinc/57/71/95/1297577195.db2.gz ZAEYHRLRBSVSRJ-ZYHUDNBSSA-N 1 0 346.214 2.499 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Oc1c(OC)cc(C(=O)OC)cc1[N+](=O)[O-] ZINC001226360947 1301377216 /nfs/dbraw/zinc/37/72/16/1301377216.db2.gz GTDZDWQUWPFJSU-LLVKDONJSA-N 1 0 340.376 2.499 20 5 EEBDRO C[N@@H+]1CCC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449064 1301832379 /nfs/dbraw/zinc/83/23/79/1301832379.db2.gz KIRZKFKRLTYJNA-AWEZNQCLSA-N 1 0 326.352 2.004 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OC(F)(F)F)c(F)c1 ZINC001227631341 1301917681 /nfs/dbraw/zinc/91/76/81/1301917681.db2.gz QFWZCUNBNATCKZ-SECBINFHSA-N 1 0 340.293 2.087 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OCc2ccccc2)nc1 ZINC001228617970 1302340021 /nfs/dbraw/zinc/34/00/21/1302340021.db2.gz UUUHSMHWHCEDAY-MRXNPFEDSA-N 1 0 345.419 2.023 20 5 EEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)CC1 ZINC001229367584 1302748264 /nfs/dbraw/zinc/74/82/64/1302748264.db2.gz PFVUNBLBYVRIMO-XYPYZODXSA-N 1 0 332.360 2.495 20 5 EEBDRO COCC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(C)cc2[N+](=O)[O-])CC1 ZINC001230494392 1303227027 /nfs/dbraw/zinc/22/70/27/1303227027.db2.gz RRPNLZVMULJGEZ-UHFFFAOYSA-N 1 0 339.348 2.301 20 5 EEBDRO COC(=O)c1cc(O)c(Br)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233907233 1304636843 /nfs/dbraw/zinc/63/68/43/1304636843.db2.gz GEVOFHQKVRDDPO-SECBINFHSA-O 1 0 347.229 2.415 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118631476 1308906763 /nfs/dbraw/zinc/90/67/63/1308906763.db2.gz VLIRPJPQVJBLNC-HNNXBMFYSA-N 1 0 332.404 2.147 20 5 EEBDRO CN(CC1CC[NH2+]CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001122564297 1310333266 /nfs/dbraw/zinc/33/32/66/1310333266.db2.gz QXKQOBHHJPOWFP-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3[C@@H](C)CC[C@H]3CN)CC2)ccc1[N+](=O)[O-] ZINC001246539802 1310335536 /nfs/dbraw/zinc/33/55/36/1310335536.db2.gz SHEYQHHXFAEGTJ-BBRMVZONSA-N 1 0 348.447 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC(O)([C@@H]3CCCC[NH2+]3)C1)CC2 ZINC001246901641 1310462965 /nfs/dbraw/zinc/46/29/65/1310462965.db2.gz YTFWQHSSADDRIU-AEFFLSMTSA-N 1 0 345.443 2.031 20 5 EEBDRO CC(C)(CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)CC(F)(F)F ZINC001162255035 1320797407 /nfs/dbraw/zinc/79/74/07/1320797407.db2.gz UZYCOAYAAWIRBW-UHFFFAOYSA-N 1 0 333.314 2.462 20 5 EEBDRO [NH3+][C@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000830708307 1314545911 /nfs/dbraw/zinc/54/59/11/1314545911.db2.gz OROJAZCBZFZYGA-MRXNPFEDSA-N 1 0 333.388 2.092 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC[C@H]1C ZINC000839544585 1315213822 /nfs/dbraw/zinc/21/38/22/1315213822.db2.gz WIAMZKKEZKWNRE-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)CN1CCOCC1 ZINC000839674562 1315229950 /nfs/dbraw/zinc/22/99/50/1315229950.db2.gz QHYREACNIQVGNB-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO CO[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000840126555 1315302624 /nfs/dbraw/zinc/30/26/24/1315302624.db2.gz PQGPYEQYCZGAMQ-WFASDCNBSA-N 1 0 331.376 2.168 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000841728847 1315604492 /nfs/dbraw/zinc/60/44/92/1315604492.db2.gz RWNSMSSGXYHUAO-UHFFFAOYSA-N 1 0 342.399 2.138 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000841856575 1315624526 /nfs/dbraw/zinc/62/45/26/1315624526.db2.gz SMGIDBKEJIIFGG-RNCFNFMXSA-N 1 0 326.784 2.127 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000841866854 1315626397 /nfs/dbraw/zinc/62/63/97/1315626397.db2.gz GXGLLHCTQPYXEN-UHFFFAOYSA-N 1 0 342.399 2.138 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000842870328 1315788048 /nfs/dbraw/zinc/78/80/48/1315788048.db2.gz ZEQQWGBXRPBLRV-SNVBAGLBSA-N 1 0 349.840 2.352 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000843090750 1315839547 /nfs/dbraw/zinc/83/95/47/1315839547.db2.gz WHQHRTHMQUDAQM-LSDHHAIUSA-N 1 0 338.310 2.230 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000843093282 1315840354 /nfs/dbraw/zinc/84/03/54/1315840354.db2.gz FZEUNEDYZQAREU-RHSMWYFYSA-N 1 0 334.347 2.133 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000843223262 1315870813 /nfs/dbraw/zinc/87/08/13/1315870813.db2.gz NUTCTAQORUGMMW-CYBMUJFWSA-N 1 0 344.371 2.434 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843347096 1315895325 /nfs/dbraw/zinc/89/53/25/1315895325.db2.gz RHCYVCWOJQVIQA-GXFFZTMASA-N 1 0 340.811 2.388 20 5 EEBDRO CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000843348719 1315896189 /nfs/dbraw/zinc/89/61/89/1315896189.db2.gz NZRGVGYRJSNDFF-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000843353905 1315898293 /nfs/dbraw/zinc/89/82/93/1315898293.db2.gz QFZGGTOMEXDMJQ-YGRLFVJLSA-N 1 0 340.811 2.246 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843378179 1315903858 /nfs/dbraw/zinc/90/38/58/1315903858.db2.gz XFHZGKQKLFOTPG-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO O=C(Cc1ccccc1F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149693078 1316016397 /nfs/dbraw/zinc/01/63/97/1316016397.db2.gz UXNOXHHKQGEDCH-UHFFFAOYSA-N 1 0 331.347 2.182 20 5 EEBDRO CCc1noc(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150839742 1316390100 /nfs/dbraw/zinc/39/01/00/1316390100.db2.gz NFDBEBPZBODOHL-UHFFFAOYSA-N 1 0 338.389 2.035 20 5 EEBDRO COC(=O)c1ccnc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001155255959 1317526710 /nfs/dbraw/zinc/52/67/10/1317526710.db2.gz YPRKQDRVPZGBBZ-VIFPVBQESA-N 1 0 341.327 2.135 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)nc21 ZINC001155477712 1317614110 /nfs/dbraw/zinc/61/41/10/1317614110.db2.gz OEBDNGCCYVYZGK-CYBMUJFWSA-N 1 0 328.372 2.324 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1Cl ZINC001155616453 1317675426 /nfs/dbraw/zinc/67/54/26/1317675426.db2.gz DJQJISUARFAAFS-QMTHXVAHSA-N 1 0 326.784 2.275 20 5 EEBDRO Cc1ccncc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156101194 1317877356 /nfs/dbraw/zinc/87/73/56/1317877356.db2.gz RGLKMWZYCFFVKC-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CCOC(=O)[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469914 1318082288 /nfs/dbraw/zinc/08/22/88/1318082288.db2.gz JFVQKFDOANVORQ-CYBMUJFWSA-N 1 0 335.404 2.352 20 5 EEBDRO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476993 1318083292 /nfs/dbraw/zinc/08/32/92/1318083292.db2.gz YWVUQJCWNUUZRR-KBXCAEBGSA-N 1 0 332.448 2.493 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001254545294 1318117321 /nfs/dbraw/zinc/11/73/21/1318117321.db2.gz CBLGDVKHPINRFR-CYBMUJFWSA-N 1 0 334.420 2.261 20 5 EEBDRO COC(=O)CC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001254549721 1318119349 /nfs/dbraw/zinc/11/93/49/1318119349.db2.gz YABREKFPTZHMGG-CYBMUJFWSA-N 1 0 336.388 2.228 20 5 EEBDRO COc1cc(N2CCC([NH2+]CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC001256082924 1318643032 /nfs/dbraw/zinc/64/30/32/1318643032.db2.gz OAYSAEFVTHWSOX-UHFFFAOYSA-N 1 0 337.420 2.324 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC001157692659 1318800855 /nfs/dbraw/zinc/80/08/55/1318800855.db2.gz YIIJWUWMSQORTD-CHWSQXEVSA-N 1 0 327.388 2.316 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2CCO[C@@H](C[NH+]3CCCC3)C2)nc1Cl ZINC001158309425 1319163799 /nfs/dbraw/zinc/16/37/99/1319163799.db2.gz KAPPFMRJGLUFQP-LBPRGKRZSA-N 1 0 340.811 2.253 20 5 EEBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001159452667 1319811995 /nfs/dbraw/zinc/81/19/95/1319811995.db2.gz IDRRBZAJVWFTSV-UHFFFAOYSA-N 1 0 340.767 2.174 20 5 EEBDRO O=C(NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107798 1320071797 /nfs/dbraw/zinc/07/17/97/1320071797.db2.gz TVYWGCSQLYHLFB-IAGOWNOFSA-N 1 0 347.459 2.370 20 5 EEBDRO COc1ncc(Nc2ccccc2CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160296818 1320126671 /nfs/dbraw/zinc/12/66/71/1320126671.db2.gz LFZFWVDUKFEHKE-UHFFFAOYSA-N 1 0 343.387 2.147 20 5 EEBDRO COC(=O)c1ccnc(-n2ccc3cccc(C[NH3+])c32)c1[N+](=O)[O-] ZINC001160456412 1320166923 /nfs/dbraw/zinc/16/69/23/1320166923.db2.gz ILOOAACLQURVEQ-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO Cc1cc(N[C@]2(C[NH3+])CN3CCC2CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001160510855 1320179603 /nfs/dbraw/zinc/17/96/03/1320179603.db2.gz KQVSVYBQZJWJIK-GOSISDBHSA-N 1 0 341.415 2.286 20 5 EEBDRO COc1cccc2c1c(C[NH3+])cn2-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160763841 1320261224 /nfs/dbraw/zinc/26/12/24/1320261224.db2.gz UJCRMGZDOHZCBU-UHFFFAOYSA-N 1 0 348.746 2.293 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CCOCC3)CC2)c(F)c1 ZINC001161212427 1320421751 /nfs/dbraw/zinc/42/17/51/1320421751.db2.gz OMMWFMDRVBOKJH-UHFFFAOYSA-N 1 0 338.383 2.432 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ncnc3ccc([N+](=O)[O-])cc32)C2COC2)CC1 ZINC001161277011 1320442685 /nfs/dbraw/zinc/44/26/85/1320442685.db2.gz MCTCFBKNSZLZFH-HAQNSBGRSA-N 1 0 343.387 2.013 20 5 EEBDRO COc1cccc(C2(Nc3nc(C)ncc3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161995616 1320712098 /nfs/dbraw/zinc/71/20/98/1320712098.db2.gz KAGVUICSBBWLHY-UHFFFAOYSA-N 1 0 343.387 2.393 20 5 EEBDRO Nc1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162197303 1320780834 /nfs/dbraw/zinc/78/08/34/1320780834.db2.gz MRHVZSJGSSGNRK-HDJSIYSDSA-N 1 0 342.403 2.244 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001162725062 1320941045 /nfs/dbraw/zinc/94/10/45/1320941045.db2.gz YYFUTBWQOJNTJB-UHFFFAOYSA-N 1 0 326.353 2.033 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001162729218 1320942629 /nfs/dbraw/zinc/94/26/29/1320942629.db2.gz CZICTSQGARWUIY-NSHDSACASA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162792538 1320959735 /nfs/dbraw/zinc/95/97/35/1320959735.db2.gz HUJYKLPLOJZDOV-JMJZKYOTSA-N 1 0 331.763 2.377 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC001163058803 1321025884 /nfs/dbraw/zinc/02/58/84/1321025884.db2.gz SFCRLAMVCFFFEY-GFCCVEGCSA-N 1 0 339.355 2.316 20 5 EEBDRO COc1cc2ncnc(N(C(C)C)C(C)(C)C[NH3+])c2cc1[N+](=O)[O-] ZINC001163188255 1321062362 /nfs/dbraw/zinc/06/23/62/1321062362.db2.gz QPWFDYCUTHQQSX-UHFFFAOYSA-N 1 0 333.392 2.499 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163268107 1321082280 /nfs/dbraw/zinc/08/22/80/1321082280.db2.gz AQUZODQRNPOZFS-QRTLGDNMSA-N 1 0 339.779 2.445 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163303694 1321091548 /nfs/dbraw/zinc/09/15/48/1321091548.db2.gz FAAPBNSKHWJTNO-SJCJKPOMSA-N 1 0 328.372 2.466 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)[nH]1 ZINC001166151207 1321664822 /nfs/dbraw/zinc/66/48/22/1321664822.db2.gz PDFVLENBJWQHJK-UHFFFAOYSA-N 1 0 336.779 2.486 20 5 EEBDRO Cc1n[nH]cc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001307989573 1331558422 /nfs/dbraw/zinc/55/84/22/1331558422.db2.gz VBWBYRKCTPJASF-UHFFFAOYSA-N 1 0 331.376 2.395 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001318829943 1332605904 /nfs/dbraw/zinc/60/59/04/1332605904.db2.gz YHSMXIARHGJMIK-CYBMUJFWSA-N 1 0 332.404 2.352 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001321590526 1333129897 /nfs/dbraw/zinc/12/98/97/1333129897.db2.gz VGMUMKDJVJFSFZ-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001328526381 1334473799 /nfs/dbraw/zinc/47/37/99/1334473799.db2.gz SAUVNQRVEUHCFM-AWEZNQCLSA-N 1 0 346.431 2.488 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])c(C)c1[N+](=O)[O-] ZINC001328570617 1334481473 /nfs/dbraw/zinc/48/14/73/1334481473.db2.gz WHAHBAMJALJRDT-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001328917809 1334547457 /nfs/dbraw/zinc/54/74/57/1334547457.db2.gz AHGQOTGQDVYELB-ZBEGNZNMSA-N 1 0 348.359 2.073 20 5 EEBDRO Cc1nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001330589442 1334874541 /nfs/dbraw/zinc/87/45/41/1334874541.db2.gz HENRMDQDVJRDHS-HNNXBMFYSA-N 1 0 327.388 2.404 20 5 EEBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001330929851 1334929076 /nfs/dbraw/zinc/92/90/76/1334929076.db2.gz BLGYXEYZCZADBW-CQSZACIVSA-N 1 0 347.396 2.452 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(-c2nn[nH]n2)c1 ZINC001609602171 1352031843 /nfs/dbraw/zinc/03/18/43/1352031843.db2.gz PAOBIRJRJQKNHP-ZDUSSCGKSA-N 1 0 343.391 2.204 20 5 EEBDRO CC1(C)CCCN1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336805955 1336598173 /nfs/dbraw/zinc/59/81/73/1336598173.db2.gz ZQXPLOMTFILUIM-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001337094202 1336643038 /nfs/dbraw/zinc/64/30/38/1336643038.db2.gz HHQZTGDBWFEPNZ-OAHLLOKOSA-N 1 0 349.434 2.365 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668209 1337048486 /nfs/dbraw/zinc/04/84/86/1337048486.db2.gz ONDUXRRNCWBORQ-KGLIPLIRSA-N 1 0 344.419 2.036 20 5 EEBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001346335280 1337482972 /nfs/dbraw/zinc/48/29/72/1337482972.db2.gz ZNNRSWPIKIRAKR-UHFFFAOYSA-N 1 0 328.372 2.215 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000848301841 1338658663 /nfs/dbraw/zinc/65/86/63/1338658663.db2.gz MSJLAQADPPOKQI-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352534 1338690868 /nfs/dbraw/zinc/69/08/68/1338690868.db2.gz QIYWJVDFORJHDO-UONOGXRCSA-N 1 0 336.367 2.063 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000848583944 1338725282 /nfs/dbraw/zinc/72/52/82/1338725282.db2.gz JOQBTRFYWSINBH-MNOVXSKESA-N 1 0 343.330 2.165 20 5 EEBDRO C[C@H](CCc1ccco1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575966800 1343930223 /nfs/dbraw/zinc/93/02/23/1343930223.db2.gz SHRFZFMRFBOKRR-PXAZEXFGSA-N 1 0 331.372 2.499 20 5 EEBDRO CC[NH2+][C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC ZINC001577890794 1344210309 /nfs/dbraw/zinc/21/03/09/1344210309.db2.gz RXHGQEQUWPUIMC-GFCCVEGCSA-N 1 0 332.408 2.307 20 5 EEBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001580289006 1344507273 /nfs/dbraw/zinc/50/72/73/1344507273.db2.gz IETQVVAVNRZYOW-NSHDSACASA-N 1 0 326.356 2.270 20 5 EEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580609475 1344542570 /nfs/dbraw/zinc/54/25/70/1344542570.db2.gz NVINIWTWSANUKI-QJPTWQEYSA-N 1 0 328.372 2.194 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001580680466 1344550325 /nfs/dbraw/zinc/55/03/25/1344550325.db2.gz QNXKYACOTAJWIH-SNVBAGLBSA-N 1 0 343.330 2.458 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001589136865 1348964452 /nfs/dbraw/zinc/96/44/52/1348964452.db2.gz UBTLQASPBAQHEC-NSHDSACASA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589456236 1348991400 /nfs/dbraw/zinc/99/14/00/1348991400.db2.gz CXPQLMDSTCIXIZ-CQSZACIVSA-N 1 0 345.407 2.307 20 5 EEBDRO CC1(C)CC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083329 1349143559 /nfs/dbraw/zinc/14/35/59/1349143559.db2.gz DZOBVZGLRHKJCY-UHFFFAOYSA-N 1 0 345.407 2.496 20 5 EEBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590687465 1349389760 /nfs/dbraw/zinc/38/97/60/1349389760.db2.gz UXGWYGWKOWCVAW-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)c1 ZINC001593478585 1349812008 /nfs/dbraw/zinc/81/20/08/1349812008.db2.gz WENHOTBNSBJJCC-LSDHHAIUSA-N 1 0 343.391 2.204 20 5 EEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605733089 1351219487 /nfs/dbraw/zinc/21/94/87/1351219487.db2.gz ZVFMYJCJZNQILD-GFCCVEGCSA-N 1 0 345.407 2.226 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000090322564 1357051108 /nfs/dbraw/zinc/05/11/08/1357051108.db2.gz ACVNVVXHBRVTFW-PHIMTYICSA-N 1 0 326.194 2.009 20 5 EEBDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591417 1368042748 /nfs/dbraw/zinc/04/27/48/1368042748.db2.gz HEXNMWUBJZOCOR-LLVKDONJSA-N 1 0 328.372 2.169 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594794 1368044819 /nfs/dbraw/zinc/04/48/19/1368044819.db2.gz YCSFPSSGEDABPZ-CYZMBNFOSA-N 1 0 341.433 2.183 20 5 EEBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815625561 1368051381 /nfs/dbraw/zinc/05/13/81/1368051381.db2.gz HCRYMJFRSTYQOT-LLVKDONJSA-N 1 0 336.392 2.306 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863548706 1369565396 /nfs/dbraw/zinc/56/53/96/1369565396.db2.gz VYNODNZFNBLOAE-AWEZNQCLSA-N 1 0 340.811 2.117 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116782760 1371736710 /nfs/dbraw/zinc/73/67/10/1371736710.db2.gz FATXCFXIXIXWKJ-UHFFFAOYSA-N 1 0 337.339 2.148 20 5 EEBDRO CC(C)(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087879 1371858842 /nfs/dbraw/zinc/85/88/42/1371858842.db2.gz YQUJKBLEPBKDKR-BSGOTLCWSA-N 1 0 337.464 2.495 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000831726676 1372392617 /nfs/dbraw/zinc/39/26/17/1372392617.db2.gz FLAIKTCNSWZHCT-ZIAGYGMSSA-N 1 0 346.431 2.337 20 5 EEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000839522363 1372907846 /nfs/dbraw/zinc/90/78/46/1372907846.db2.gz RJPMHNQBUTVEOG-INIZCTEOSA-N 1 0 337.376 2.245 20 5 EEBDRO CSCC[C@H]([NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001357322235 1373214998 /nfs/dbraw/zinc/21/49/98/1373214998.db2.gz ONQNFOAVBPGMPT-JTQLQIEISA-N 1 0 331.825 2.335 20 5 EEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001580251024 1403854134 /nfs/dbraw/zinc/85/41/34/1403854134.db2.gz YZOSIBNMUAGXNF-WBMJQRKESA-N 1 0 335.429 2.417 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001580268424 1403855733 /nfs/dbraw/zinc/85/57/33/1403855733.db2.gz GMVHNLDFJWEJNL-GZMMTYOYSA-N 1 0 332.282 2.196 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001590734125 1403891348 /nfs/dbraw/zinc/89/13/48/1403891348.db2.gz YWMTTYUCPOPSFR-GFCCVEGCSA-N 1 0 345.407 2.227 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000301866687 719478587 /nfs/dbraw/zinc/47/85/87/719478587.db2.gz NKKBVQUROHIIPU-CVEARBPZSA-N 1 0 340.383 2.176 20 5 EEBDRO COc1cc2ncnc(N3CCC[C@H]([NH+](C)C)C3)c2cc1[N+](=O)[O-] ZINC001165040280 721891672 /nfs/dbraw/zinc/89/16/72/721891672.db2.gz UNZVIQDMVJCNOT-NSHDSACASA-N 1 0 331.376 2.077 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049496 721972848 /nfs/dbraw/zinc/97/28/48/721972848.db2.gz OXHMQCZEDOKPOH-OAHLLOKOSA-N 1 0 334.420 2.381 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC001109520990 805597925 /nfs/dbraw/zinc/59/79/25/805597925.db2.gz VEECEGNDKCRYBW-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COC(=O)Cc1ccc(-n2nc(C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001167698384 761859165 /nfs/dbraw/zinc/85/91/65/761859165.db2.gz UMANUGSWVNBZBS-UHFFFAOYSA-N 1 0 340.339 2.108 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167899308 779491787 /nfs/dbraw/zinc/49/17/87/779491787.db2.gz JTMXYIGVQSWKFW-SECBINFHSA-N 1 0 335.282 2.306 20 5 EEBDRO CSC1(CNc2ccc3nonc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000893910460 780298736 /nfs/dbraw/zinc/29/87/36/780298736.db2.gz GIEAHHMBKRLWNP-UHFFFAOYSA-N 1 0 337.405 2.370 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000809732365 783314642 /nfs/dbraw/zinc/31/46/42/783314642.db2.gz CFIQDOPGJBGPSY-HNNXBMFYSA-N 1 0 348.428 2.343 20 5 EEBDRO Cc1ccc(N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001105419460 783548786 /nfs/dbraw/zinc/54/87/86/783548786.db2.gz ZMWULAWYBSPVPR-UHFFFAOYSA-N 1 0 348.447 2.140 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000817131602 784527711 /nfs/dbraw/zinc/52/77/11/784527711.db2.gz GLGXYYDVHXRAJY-AWEZNQCLSA-N 1 0 332.404 2.017 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817993228 785143560 /nfs/dbraw/zinc/14/35/60/785143560.db2.gz FBAPHYTXATYJEH-ZDUSSCGKSA-N 1 0 343.786 2.434 20 5 EEBDRO C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000818008804 785162472 /nfs/dbraw/zinc/16/24/72/785162472.db2.gz JBYNZMLBTLLRRT-MWLCHTKSSA-N 1 0 343.786 2.373 20 5 EEBDRO CSC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000819107038 785405356 /nfs/dbraw/zinc/40/53/56/785405356.db2.gz CPBWYXIMJGMTGL-CQSZACIVSA-N 1 0 326.418 2.130 20 5 EEBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCCCC1 ZINC000819172246 785446058 /nfs/dbraw/zinc/44/60/58/785446058.db2.gz XBFKKJMUQFDGGV-SJORKVTESA-N 1 0 347.415 2.151 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714974 786434641 /nfs/dbraw/zinc/43/46/41/786434641.db2.gz JTEIPGUPKQTRRD-LSDHHAIUSA-N 1 0 343.387 2.095 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910286593 786619107 /nfs/dbraw/zinc/61/91/07/786619107.db2.gz CNACNFHPAFMYCT-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843508022 788646356 /nfs/dbraw/zinc/64/63/56/788646356.db2.gz OXZMFHXIAPKQBG-RQJHMYQMSA-N 1 0 348.172 2.352 20 5 EEBDRO [NH3+]CCCCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000843511617 788668568 /nfs/dbraw/zinc/66/85/68/788668568.db2.gz KUDGNCGXWJEAOS-UHFFFAOYSA-N 1 0 332.360 2.098 20 5 EEBDRO Cc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000843840603 788703494 /nfs/dbraw/zinc/70/34/94/788703494.db2.gz FHDQBFLJFUETSR-LBPRGKRZSA-N 1 0 334.420 2.288 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1F ZINC000844337376 789011166 /nfs/dbraw/zinc/01/11/66/789011166.db2.gz DOZQGGGNKPDAGX-UHFFFAOYSA-N 1 0 337.395 2.060 20 5 EEBDRO Cc1conc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997153715 789265569 /nfs/dbraw/zinc/26/55/69/789265569.db2.gz ZEBQQYYGFLSHNX-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001171401099 794783969 /nfs/dbraw/zinc/78/39/69/794783969.db2.gz RHPLLHPDFWEACQ-LBPRGKRZSA-N 1 0 337.339 2.396 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001093166555 794799285 /nfs/dbraw/zinc/79/92/85/794799285.db2.gz LGVYRSZSJISDLU-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(C)(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001112353796 795297771 /nfs/dbraw/zinc/29/77/71/795297771.db2.gz BUZQVBRSCVPXPK-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO Cc1cc(NCCNC(=O)c2c[nH+]ccc2N(C)C)ccc1[N+](=O)[O-] ZINC001093752763 795658436 /nfs/dbraw/zinc/65/84/36/795658436.db2.gz DNVIKYUSGSIIGL-UHFFFAOYSA-N 1 0 343.387 2.206 20 5 EEBDRO O=C(NCC1=CC[N@H+](CC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674522 796128526 /nfs/dbraw/zinc/12/85/26/796128526.db2.gz PNDBBGJAJCAHOR-IAGOWNOFSA-N 1 0 335.448 2.370 20 5 EEBDRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000915627652 796337500 /nfs/dbraw/zinc/33/75/00/796337500.db2.gz VOBJRCJIJQLVJV-INIZCTEOSA-N 1 0 347.415 2.276 20 5 EEBDRO CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903444 797131267 /nfs/dbraw/zinc/13/12/67/797131267.db2.gz FYNALHCLWOJHJY-YOEHRIQHSA-N 1 0 331.416 2.300 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCC(O)CC3)CC2)c(F)c1 ZINC001173014104 797196836 /nfs/dbraw/zinc/19/68/36/797196836.db2.gz KWOCFPCHRYHEGC-UHFFFAOYSA-N 1 0 341.358 2.299 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2nncs2)c1F ZINC001173179066 797278771 /nfs/dbraw/zinc/27/87/71/797278771.db2.gz JNNLMOHNJJVGRJ-VIFPVBQESA-N 1 0 340.380 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](CO)C2)c1F ZINC001173184873 797280021 /nfs/dbraw/zinc/28/00/21/797280021.db2.gz PDPSARMMPRFQSE-NEPJUHHUSA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC3(C[NH+](C)C3)C2)c1F ZINC001173193337 797282551 /nfs/dbraw/zinc/28/25/51/797282551.db2.gz REKJZXFMMYOEOY-GFCCVEGCSA-N 1 0 337.395 2.311 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC001173222281 797304394 /nfs/dbraw/zinc/30/43/94/797304394.db2.gz VYPFKZJNKXGQPO-GDBMZVCRSA-N 1 0 341.415 2.493 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095187979 797499182 /nfs/dbraw/zinc/49/91/82/797499182.db2.gz FGMQKNFYZQWCBM-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001106874229 797634843 /nfs/dbraw/zinc/63/48/43/797634843.db2.gz XVSWPZJNDQAXJV-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cn1c2cc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000786803514 806903428 /nfs/dbraw/zinc/90/34/28/806903428.db2.gz HGQTXDHHUNNNAX-NEPJUHHUSA-N 1 0 347.419 2.070 20 5 EEBDRO [NH3+]C1CCN(CCNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001161867943 801533222 /nfs/dbraw/zinc/53/32/22/801533222.db2.gz YASRBIXBFXZXGV-UHFFFAOYSA-N 1 0 334.207 2.132 20 5 EEBDRO Cc1nc[nH]c1C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004289608 801618627 /nfs/dbraw/zinc/61/86/27/801618627.db2.gz OZLUFPBQIDWYOY-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168981216 803545145 /nfs/dbraw/zinc/54/51/45/803545145.db2.gz GUADPNAPTDWSSK-ZIAGYGMSSA-N 1 0 326.418 2.015 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168965113 803552603 /nfs/dbraw/zinc/55/26/03/803552603.db2.gz YDQVPYUQZSWEOK-YYFQZIEXSA-N 1 0 339.436 2.134 20 5 EEBDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992003 803559985 /nfs/dbraw/zinc/55/99/85/803559985.db2.gz IZDJEKMVOATEMZ-UKRRQHHQSA-N 1 0 325.453 2.449 20 5 EEBDRO O=C(CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168992761 803560793 /nfs/dbraw/zinc/56/07/93/803560793.db2.gz KNMAGLRUUQMMQO-QAPCUYQASA-N 1 0 345.443 2.369 20 5 EEBDRO CN(CC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169013408 803571458 /nfs/dbraw/zinc/57/14/58/803571458.db2.gz UWQYUJYZIDMFBD-OCCSQVGLSA-N 1 0 327.425 2.231 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)C1 ZINC001168990875 803574477 /nfs/dbraw/zinc/57/44/77/803574477.db2.gz FFXRXJKEZLKRQJ-HOTGVXAUSA-N 1 0 333.432 2.456 20 5 EEBDRO O=C1Nc2ncccc2C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169034509 803578395 /nfs/dbraw/zinc/57/83/95/803578395.db2.gz GSGQOYBDTCSYCR-CHWSQXEVSA-N 1 0 346.387 2.380 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037536 803581282 /nfs/dbraw/zinc/58/12/82/803581282.db2.gz SBUBPQQEXPUUDO-REWJHTLYSA-N 1 0 345.415 2.369 20 5 EEBDRO Cn1nc(COCC2CC2)c2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023674 803589650 /nfs/dbraw/zinc/58/96/50/803589650.db2.gz PJSYMOSTMAEFOO-LSDHHAIUSA-N 1 0 348.447 2.150 20 5 EEBDRO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050684 803595267 /nfs/dbraw/zinc/59/52/67/803595267.db2.gz CHKJLXNOUAFIKA-RRFJBIMHSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169050654 803595447 /nfs/dbraw/zinc/59/54/47/803595447.db2.gz CGFXXDFQKMKNSY-QLFBSQMISA-N 1 0 335.404 2.379 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055785 803596952 /nfs/dbraw/zinc/59/69/52/803596952.db2.gz QHLIULMCSCAXDW-INMHGKMJSA-N 1 0 331.416 2.278 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C)CC1 ZINC001109471519 805523424 /nfs/dbraw/zinc/52/34/24/805523424.db2.gz XUHFPYRZDWFYPY-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO COC(=O)c1ccc(OC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000790956640 809004375 /nfs/dbraw/zinc/00/43/75/809004375.db2.gz MDESKEHTXBFLPC-UHFFFAOYSA-N 1 0 341.279 2.248 20 5 EEBDRO COc1cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC001170281599 809878092 /nfs/dbraw/zinc/87/80/92/809878092.db2.gz GACZNNYJGBKOGZ-OAGGEKHMSA-N 1 0 339.392 2.049 20 5 EEBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345023 809916281 /nfs/dbraw/zinc/91/62/81/809916281.db2.gz GLNDUYMURQXPLI-JSGCOSHPSA-N 1 0 336.388 2.419 20 5 EEBDRO CCc1cncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001131368321 812726424 /nfs/dbraw/zinc/72/64/24/812726424.db2.gz PSHFMOOAYNXCBO-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000120330784 290661440 /nfs/dbraw/zinc/66/14/40/290661440.db2.gz ZWVBRKCEIBUDNP-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181840455 234345749 /nfs/dbraw/zinc/34/57/49/234345749.db2.gz ZVIGNZYPJNYVRV-IPYPFGDCSA-N 1 0 335.404 2.238 20 5 EEBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188911279 236698266 /nfs/dbraw/zinc/69/82/66/236698266.db2.gz JWAKNGCSRXSKJR-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1CC[NH2+]CC1 ZINC000423074147 240353897 /nfs/dbraw/zinc/35/38/97/240353897.db2.gz UDWWXJXMQRMHNA-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO Cc1cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000415412198 238950627 /nfs/dbraw/zinc/95/06/27/238950627.db2.gz BZOPWEYFXWKSJT-ZDUSSCGKSA-N 1 0 348.403 2.122 20 5 EEBDRO C[NH+](C)C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416300449 239167003 /nfs/dbraw/zinc/16/70/03/239167003.db2.gz IYORYQDENPLFBP-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000422812535 240242921 /nfs/dbraw/zinc/24/29/21/240242921.db2.gz WMGNWMOFFDOYFA-UHFFFAOYSA-N 1 0 328.372 2.215 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])CC1 ZINC000422890628 240277629 /nfs/dbraw/zinc/27/76/29/240277629.db2.gz SRKJODVMNANJQM-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422930971 240295262 /nfs/dbraw/zinc/29/52/62/240295262.db2.gz AIBCPWFHEHBRRY-MRXNPFEDSA-N 1 0 334.420 2.421 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423695911 240574163 /nfs/dbraw/zinc/57/41/63/240574163.db2.gz CCMYMQXCTQJKFR-AWEZNQCLSA-N 1 0 347.415 2.039 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000426202601 241235474 /nfs/dbraw/zinc/23/54/74/241235474.db2.gz VXWGKZJGOLSKLJ-TZMCWYRMSA-N 1 0 341.795 2.422 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236714884 242331815 /nfs/dbraw/zinc/33/18/15/242331815.db2.gz NGJJKTMJRGHOJF-KRWDZBQOSA-N 1 0 345.403 2.274 20 5 EEBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000451229257 243039768 /nfs/dbraw/zinc/03/97/68/243039768.db2.gz LBXOLTAWVUDKLW-CRAIPNDOSA-N 1 0 343.383 2.212 20 5 EEBDRO CCO[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000451536770 243148945 /nfs/dbraw/zinc/14/89/45/243148945.db2.gz IABHAAXUZICKDP-RRQGHBQHSA-N 1 0 347.415 2.447 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072725292 203244034 /nfs/dbraw/zinc/24/40/34/203244034.db2.gz JLCDTNFFONLFSI-HNNXBMFYSA-N 1 0 348.447 2.364 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000074764202 203292827 /nfs/dbraw/zinc/29/28/27/203292827.db2.gz CXIWCBQHCIIRAO-OAHLLOKOSA-N 1 0 332.404 2.017 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459247319 245048341 /nfs/dbraw/zinc/04/83/41/245048341.db2.gz CJZYEOIBIQXLLA-CQSZACIVSA-N 1 0 334.420 2.468 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000103971625 204090884 /nfs/dbraw/zinc/09/08/84/204090884.db2.gz LMYXHFIZDOJHSY-CYBMUJFWSA-N 1 0 345.403 2.037 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](C2CC2)CC1 ZINC000127397681 205099408 /nfs/dbraw/zinc/09/94/08/205099408.db2.gz XNZOVDNAFRCPAQ-UHFFFAOYSA-N 1 0 342.399 2.362 20 5 EEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129274601 205186846 /nfs/dbraw/zinc/18/68/46/205186846.db2.gz WSHSMRORQGGOPA-DGCLKSJQSA-N 1 0 339.367 2.298 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491532560 246062600 /nfs/dbraw/zinc/06/26/00/246062600.db2.gz LNDXDIKAWOFPJV-ZNFPLGDCSA-N 1 0 347.415 2.177 20 5 EEBDRO Cc1c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000264187333 246157447 /nfs/dbraw/zinc/15/74/47/246157447.db2.gz NRWJEVKDSRTWEX-UHFFFAOYSA-N 1 0 347.415 2.278 20 5 EEBDRO CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000156904569 206105599 /nfs/dbraw/zinc/10/55/99/206105599.db2.gz SLEWBMJECVUYKO-OAHLLOKOSA-N 1 0 343.449 2.307 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493598634 246730505 /nfs/dbraw/zinc/73/05/05/246730505.db2.gz PTKGMKATDRLERV-QBGJIXDNSA-N 1 0 329.400 2.456 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000264126557 284618756 /nfs/dbraw/zinc/61/87/56/284618756.db2.gz DOTCTSZDRHHDEB-UHFFFAOYSA-N 1 0 337.420 2.334 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175089342 207091518 /nfs/dbraw/zinc/09/15/18/207091518.db2.gz YDPXBPGQEHXEHZ-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175089328 207091934 /nfs/dbraw/zinc/09/19/34/207091934.db2.gz YDPXBPGQEHXEHZ-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000175848310 207166177 /nfs/dbraw/zinc/16/61/77/207166177.db2.gz WDDOIUKXBQBDIU-STQMWFEESA-N 1 0 336.417 2.441 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000176882805 207270892 /nfs/dbraw/zinc/27/08/92/207270892.db2.gz XEIAXGICYKRQHK-BOLDSZDNSA-N 1 0 335.404 2.081 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000177592393 207360249 /nfs/dbraw/zinc/36/02/49/207360249.db2.gz KTYZABDNGAZRTN-NWDGAFQWSA-N 1 0 336.348 2.106 20 5 EEBDRO Cc1nc(NCc2cccnc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268429722 251908000 /nfs/dbraw/zinc/90/80/00/251908000.db2.gz AWJWQDRYFNMNCN-UHFFFAOYSA-N 1 0 342.403 2.057 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000178822519 207539505 /nfs/dbraw/zinc/53/95/05/207539505.db2.gz UYSNVLRRDBSQFN-LLVKDONJSA-N 1 0 332.404 2.369 20 5 EEBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181701398 533134069 /nfs/dbraw/zinc/13/40/69/533134069.db2.gz RRVQAXXDQJADKM-LBPRGKRZSA-N 1 0 339.367 2.421 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984918 256102268 /nfs/dbraw/zinc/10/22/68/256102268.db2.gz POHSDDQSKRCERY-DGCLKSJQSA-N 1 0 348.403 2.028 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270554757 256147859 /nfs/dbraw/zinc/14/78/59/256147859.db2.gz RYVWCZDZMBPBBJ-XJKSGUPXSA-N 1 0 332.404 2.015 20 5 EEBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000273489225 256300680 /nfs/dbraw/zinc/30/06/80/256300680.db2.gz KJNISLCSKBLKPS-HZPDHXFCSA-N 1 0 349.456 2.176 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356822097 141031027 /nfs/dbraw/zinc/03/10/27/141031027.db2.gz LLSSQMVDSSPHCF-QWHCGFSZSA-N 1 0 349.435 2.169 20 5 EEBDRO CN(CC[NH+]1CCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000089899269 292213780 /nfs/dbraw/zinc/21/37/80/292213780.db2.gz YFLYAAWTLIEPBV-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)nc1 ZINC000125225397 292294797 /nfs/dbraw/zinc/29/47/97/292294797.db2.gz NNFOSUVSDQSINR-OAHLLOKOSA-N 1 0 333.436 2.352 20 5 EEBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248628897 160353156 /nfs/dbraw/zinc/35/31/56/160353156.db2.gz QUUUDERFMGAIMU-MSOLQXFVSA-N 1 0 344.415 2.249 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261751944 160414391 /nfs/dbraw/zinc/41/43/91/160414391.db2.gz JAGXURKEKHJQAC-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081364422 159151359 /nfs/dbraw/zinc/15/13/59/159151359.db2.gz HRBMMMVLMHDZND-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083026350 159160043 /nfs/dbraw/zinc/16/00/43/159160043.db2.gz JRFUUCLSNMVAKD-GJZGRUSLSA-N 1 0 349.431 2.143 20 5 EEBDRO O=C1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000090181171 159192918 /nfs/dbraw/zinc/19/29/18/159192918.db2.gz WPQOUXLCEHVVFB-HOCLYGCPSA-N 1 0 329.400 2.269 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000129033468 159525115 /nfs/dbraw/zinc/52/51/15/159525115.db2.gz HYKTXDWVOFHWGV-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000337817310 160675271 /nfs/dbraw/zinc/67/52/71/160675271.db2.gz RMWSPFGXEPRIMV-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000342134886 161042288 /nfs/dbraw/zinc/04/22/88/161042288.db2.gz SVASWIALEIOGPS-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000343454845 161137839 /nfs/dbraw/zinc/13/78/39/161137839.db2.gz VZJYPFIYDDQJPR-UHFFFAOYSA-N 1 0 346.387 2.183 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000343633415 161153054 /nfs/dbraw/zinc/15/30/54/161153054.db2.gz FGAZILIETWVBLQ-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000344425190 161226243 /nfs/dbraw/zinc/22/62/43/161226243.db2.gz VIFWDFHUWALKAW-KBPBESRZSA-N 1 0 334.420 2.315 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000344795967 161246685 /nfs/dbraw/zinc/24/66/85/161246685.db2.gz NFWHTYYWQVPJFG-UHFFFAOYSA-N 1 0 332.404 2.348 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854293 161337471 /nfs/dbraw/zinc/33/74/71/161337471.db2.gz MXFBCZGFNKVLSQ-VXGBXAGGSA-N 1 0 343.330 2.201 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000345990785 161348163 /nfs/dbraw/zinc/34/81/63/161348163.db2.gz ZKAASLSOSMGNGW-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO CCc1ccc([C@H](NC[C@@H](O)C[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551138 161381154 /nfs/dbraw/zinc/38/11/54/161381154.db2.gz HFXXKWFPJAIRRZ-CRAIPNDOSA-N 1 0 347.415 2.352 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000352470719 162147403 /nfs/dbraw/zinc/14/74/03/162147403.db2.gz MIMPSSNBSDSSOB-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000356254660 163381798 /nfs/dbraw/zinc/38/17/98/163381798.db2.gz PLKGJZGQRDSJCP-BLLLJJGKSA-N 1 0 330.388 2.355 20 5 EEBDRO CC(=O)N[C@H](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000360618257 164352721 /nfs/dbraw/zinc/35/27/21/164352721.db2.gz HQJHWEIQPJNING-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360997520 164413516 /nfs/dbraw/zinc/41/35/16/164413516.db2.gz WVTOMTWYOZJESG-CYBMUJFWSA-N 1 0 337.424 2.032 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361100531 164427550 /nfs/dbraw/zinc/42/75/50/164427550.db2.gz YRNASEUYXHPXIM-CABCVRRESA-N 1 0 335.429 2.191 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000364151373 165034602 /nfs/dbraw/zinc/03/46/02/165034602.db2.gz ROWCHYDYUMJOKI-CQSZACIVSA-N 1 0 347.415 2.232 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364984083 165341512 /nfs/dbraw/zinc/34/15/12/165341512.db2.gz SKNLPZDXTPAKGE-JCGIZDLHSA-N 1 0 333.432 2.495 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000368964671 166160109 /nfs/dbraw/zinc/16/01/09/166160109.db2.gz PTTXVNILYBRVTC-QZTJIDSGSA-N 1 0 349.431 2.207 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000376686425 167375130 /nfs/dbraw/zinc/37/51/30/167375130.db2.gz ICIVZTBHGPPFKY-HOCLYGCPSA-N 1 0 346.431 2.406 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625730 268711152 /nfs/dbraw/zinc/71/11/52/268711152.db2.gz COHYHHUINYIHIR-QAPCUYQASA-N 1 0 333.432 2.436 20 5 EEBDRO COc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272772976 269018214 /nfs/dbraw/zinc/01/82/14/269018214.db2.gz CLFBRXGOSPXTBB-LLVKDONJSA-N 1 0 334.376 2.375 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000274760980 269051064 /nfs/dbraw/zinc/05/10/64/269051064.db2.gz XLKDVWGZLNTGHY-JTQLQIEISA-N 1 0 337.376 2.487 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3nonc32)CCCO1 ZINC000277794928 269183623 /nfs/dbraw/zinc/18/36/23/269183623.db2.gz XKZMCXBTODWOJE-NSHDSACASA-N 1 0 335.364 2.044 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000278783664 269242821 /nfs/dbraw/zinc/24/28/21/269242821.db2.gz DIXLSZMATWKAPA-UHFFFAOYSA-N 1 0 344.419 2.204 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278832122 269244807 /nfs/dbraw/zinc/24/48/07/269244807.db2.gz JTQZPDRCVFRGAB-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])cc1O ZINC000189030363 274035963 /nfs/dbraw/zinc/03/59/63/274035963.db2.gz WOYAIZPSTBSBHO-OAHLLOKOSA-N 1 0 346.383 2.311 20 5 EEBDRO COc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278475089 274361895 /nfs/dbraw/zinc/36/18/95/274361895.db2.gz DOSUMISYEKZOJO-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO Cc1cc(OCC(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000280998759 274622011 /nfs/dbraw/zinc/62/20/11/274622011.db2.gz KWJMIBBQSWMWEC-UHFFFAOYSA-N 1 0 347.415 2.273 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287074092 274932141 /nfs/dbraw/zinc/93/21/41/274932141.db2.gz HPVFFTANHFOHRA-RHSMWYFYSA-N 1 0 346.431 2.406 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CCCC1 ZINC000289637334 275134694 /nfs/dbraw/zinc/13/46/94/275134694.db2.gz UQZBPDKUXWJZQJ-MRXNPFEDSA-N 1 0 335.404 2.373 20 5 EEBDRO COc1cc(CN(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000289799071 275149856 /nfs/dbraw/zinc/14/98/56/275149856.db2.gz MOKKYLKAQLWSGY-UHFFFAOYSA-N 1 0 347.362 2.241 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000290107358 275180288 /nfs/dbraw/zinc/18/02/88/275180288.db2.gz YAUJVOBMDHSFKH-MRXNPFEDSA-N 1 0 348.359 2.027 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000290125193 275182067 /nfs/dbraw/zinc/18/20/67/275182067.db2.gz LJAUWNYOMCRFIR-AWEZNQCLSA-N 1 0 333.388 2.065 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000290180011 275187132 /nfs/dbraw/zinc/18/71/32/275187132.db2.gz VKLOXZFDXBJNFG-UHFFFAOYSA-N 1 0 335.385 2.429 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000291051552 275264987 /nfs/dbraw/zinc/26/49/87/275264987.db2.gz XHRZQGGGYJFPKG-NSHDSACASA-N 1 0 338.364 2.353 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000291060050 275265994 /nfs/dbraw/zinc/26/59/94/275265994.db2.gz XWUWWNBZJHBGLP-NSHDSACASA-N 1 0 337.376 2.174 20 5 EEBDRO C[NH+](C)CCCC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000270866483 276783371 /nfs/dbraw/zinc/78/33/71/276783371.db2.gz ASUNPVVLDARMLX-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780333 277252587 /nfs/dbraw/zinc/25/25/87/277252587.db2.gz CDUYXIZUTQCMHF-LSDHHAIUSA-N 1 0 335.404 2.386 20 5 EEBDRO CNc1nc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455558441 277303977 /nfs/dbraw/zinc/30/39/77/277303977.db2.gz UANWYYIOUMPILV-TXEJJXNPSA-N 1 0 335.408 2.024 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193646055 278048064 /nfs/dbraw/zinc/04/80/64/278048064.db2.gz ANSBOYPDUVGXTN-JQWIXIFHSA-N 1 0 341.795 2.274 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346229259 278178021 /nfs/dbraw/zinc/17/80/21/278178021.db2.gz SCXKHEZBCWLCFP-NXEZZACHSA-N 1 0 329.784 2.082 20 5 EEBDRO C[C@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)c1ccccc1 ZINC000347367238 278212222 /nfs/dbraw/zinc/21/22/22/278212222.db2.gz MKDPDPIHUMXIJF-HUUCEWRRSA-N 1 0 332.404 2.278 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173989756 279168774 /nfs/dbraw/zinc/16/87/74/279168774.db2.gz QBUNLGRTIDWUGO-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365220809 280187461 /nfs/dbraw/zinc/18/74/61/280187461.db2.gz GXVRROMKQOBART-ZFWWWQNUSA-N 1 0 344.415 2.019 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237450064 289792586 /nfs/dbraw/zinc/79/25/86/289792586.db2.gz QUDGXEJMDFVTSH-ZFWWWQNUSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293709751 293276085 /nfs/dbraw/zinc/27/60/85/293276085.db2.gz JCISTPRERVFDAK-SECBINFHSA-N 1 0 338.364 2.047 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296727586 294051640 /nfs/dbraw/zinc/05/16/40/294051640.db2.gz GSJVECCSJDXUMH-GUYCJALGSA-N 1 0 332.404 2.393 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000297034844 294134929 /nfs/dbraw/zinc/13/49/29/294134929.db2.gz NYGDLPRJABMLLW-YHWZYXNKSA-N 1 0 333.388 2.349 20 5 EEBDRO COC(=O)Cc1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000297127985 294159200 /nfs/dbraw/zinc/15/92/00/294159200.db2.gz MWZBVCDOUAHFPJ-UHFFFAOYSA-N 1 0 335.404 2.088 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297225421 294184903 /nfs/dbraw/zinc/18/49/03/294184903.db2.gz ZZYQSDLZSUKZPW-YHWZYXNKSA-N 1 0 332.404 2.016 20 5 EEBDRO COc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000297239718 294189370 /nfs/dbraw/zinc/18/93/70/294189370.db2.gz SIKHCQXOAIBHGG-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000297943068 294378899 /nfs/dbraw/zinc/37/88/99/294378899.db2.gz SCAXDENRAGRHMY-RYUDHWBXSA-N 1 0 337.376 2.041 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000298553079 294527258 /nfs/dbraw/zinc/52/72/58/294527258.db2.gz FBHFBYOQHGDPAG-UHFFFAOYSA-N 1 0 338.383 2.014 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000332526053 312020369 /nfs/dbraw/zinc/02/03/69/312020369.db2.gz VJOAHHRPHZCOQK-ZDUSSCGKSA-N 1 0 349.435 2.435 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973233 312593802 /nfs/dbraw/zinc/59/38/02/312593802.db2.gz RJCYFEVJPVSOBF-SJCJKPOMSA-N 1 0 335.404 2.351 20 5 EEBDRO CO[C@@H]([C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185233 312979667 /nfs/dbraw/zinc/97/96/67/312979667.db2.gz OIAOHLMXMKXRHO-RLCCDNCMSA-N 1 0 333.388 2.103 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414654384 313057226 /nfs/dbraw/zinc/05/72/26/313057226.db2.gz JDDRTYVUCYQNMO-GRYCIOLGSA-N 1 0 334.376 2.113 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414950607 313113795 /nfs/dbraw/zinc/11/37/95/313113795.db2.gz OZKNHXSCJVJIEW-SECBINFHSA-N 1 0 344.318 2.317 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414951845 313114067 /nfs/dbraw/zinc/11/40/67/313114067.db2.gz QEWFWJCJKOKTTN-IUCAKERBSA-N 1 0 344.318 2.445 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415502699 313134491 /nfs/dbraw/zinc/13/44/91/313134491.db2.gz NLQBJXIFDARACT-HZPDHXFCSA-N 1 0 348.403 2.345 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417711153 313573750 /nfs/dbraw/zinc/57/37/50/313573750.db2.gz DSKKQSJGQXXCLA-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418090163 313709226 /nfs/dbraw/zinc/70/92/26/313709226.db2.gz NHLAOHVBWSPBRG-JTQLQIEISA-N 1 0 334.298 2.150 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000438996800 315062637 /nfs/dbraw/zinc/06/26/37/315062637.db2.gz ICKYFBPUKWEJJB-CYBMUJFWSA-N 1 0 326.418 2.164 20 5 EEBDRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000440419797 315130113 /nfs/dbraw/zinc/13/01/13/315130113.db2.gz FHVXMKQTXZPLOT-LBPRGKRZSA-N 1 0 349.412 2.234 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000443867235 315262456 /nfs/dbraw/zinc/26/24/56/315262456.db2.gz ICVKTSVMSJKOLB-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218928 316845019 /nfs/dbraw/zinc/84/50/19/316845019.db2.gz IJFRWBRHZDFULO-ZFWWWQNUSA-N 1 0 348.403 2.357 20 5 EEBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000521613426 316922696 /nfs/dbraw/zinc/92/26/96/316922696.db2.gz UIGIKJHKGFFDBJ-INIZCTEOSA-N 1 0 332.404 2.028 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000524341890 317014469 /nfs/dbraw/zinc/01/44/69/317014469.db2.gz NIUVGKODDJQUPA-MRXNPFEDSA-N 1 0 332.404 2.365 20 5 EEBDRO CCCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540171730 318071646 /nfs/dbraw/zinc/07/16/46/318071646.db2.gz XRIUTPSBRCGLLO-CYBMUJFWSA-N 1 0 343.449 2.432 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548407600 318386990 /nfs/dbraw/zinc/38/69/90/318386990.db2.gz KXDLCQNGLKHSJG-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C1)CCCC2 ZINC000548661616 318402360 /nfs/dbraw/zinc/40/23/60/318402360.db2.gz OWRQOROOBRXZSP-GFCCVEGCSA-N 1 0 343.387 2.394 20 5 EEBDRO CCc1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000564324469 319078367 /nfs/dbraw/zinc/07/83/67/319078367.db2.gz HQOYYNLTLWVADA-GFCCVEGCSA-N 1 0 343.449 2.164 20 5 EEBDRO COc1ccc(CC(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000564722472 319104516 /nfs/dbraw/zinc/10/45/16/319104516.db2.gz PTWZIRMFQJPTQM-CQSZACIVSA-N 1 0 341.367 2.063 20 5 EEBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000564853701 319118391 /nfs/dbraw/zinc/11/83/91/319118391.db2.gz HRACFRQSIFFCEW-MRXNPFEDSA-N 1 0 332.404 2.011 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)COC2 ZINC000564852470 319118409 /nfs/dbraw/zinc/11/84/09/319118409.db2.gz LXUWWSJHACHVJF-MRXNPFEDSA-N 1 0 344.367 2.155 20 5 EEBDRO COCC1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000564859223 319118939 /nfs/dbraw/zinc/11/89/39/319118939.db2.gz XUNISGLQHHUJPD-YMAMQOFZSA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C ZINC000565481846 319186821 /nfs/dbraw/zinc/18/68/21/319186821.db2.gz IAURUDRTXOBHCN-KGLIPLIRSA-N 1 0 346.431 2.020 20 5 EEBDRO CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566063469 319239821 /nfs/dbraw/zinc/23/98/21/319239821.db2.gz WJBAHCISKXJCHC-RDTXWAMCSA-N 1 0 346.431 2.496 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000566114270 319246670 /nfs/dbraw/zinc/24/66/70/319246670.db2.gz DXMOAROOKAZNMC-UKRRQHHQSA-N 1 0 336.388 2.026 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566248372 319264703 /nfs/dbraw/zinc/26/47/03/319264703.db2.gz BPEAKPUPZJQWDR-KGLIPLIRSA-N 1 0 346.431 2.007 20 5 EEBDRO CN(C)C(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578244819 320303724 /nfs/dbraw/zinc/30/37/24/320303724.db2.gz MXWJHCWNXFKOMO-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO COc1ccc(CC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000582046754 324367029 /nfs/dbraw/zinc/36/70/29/324367029.db2.gz GRMCCCVCAZYMPG-UHFFFAOYSA-N 1 0 347.415 2.279 20 5 EEBDRO CC(C)c1ccc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582900170 324552800 /nfs/dbraw/zinc/55/28/00/324552800.db2.gz FYJUDCWFWFYPTJ-SFHVURJKSA-N 1 0 346.431 2.498 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000292826422 464355955 /nfs/dbraw/zinc/35/59/55/464355955.db2.gz PHQHCVAINFUKNX-QGZVFWFLSA-N 1 0 343.387 2.166 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193293263 465028836 /nfs/dbraw/zinc/02/88/36/465028836.db2.gz QEDVCLSPIHNDCB-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000296078959 465074238 /nfs/dbraw/zinc/07/42/38/465074238.db2.gz SHWLMNJRQJZAML-ZDUSSCGKSA-N 1 0 348.403 2.472 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000296282087 465141543 /nfs/dbraw/zinc/14/15/43/465141543.db2.gz HHIOKQOGWOQMSS-CYBMUJFWSA-N 1 0 334.376 2.448 20 5 EEBDRO NC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503798 465190158 /nfs/dbraw/zinc/19/01/58/465190158.db2.gz UAFVZEGVUAPJJF-LSDHHAIUSA-N 1 0 343.387 2.164 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000341544191 465224550 /nfs/dbraw/zinc/22/45/50/465224550.db2.gz HAWVPAXXTIXIHI-CYBMUJFWSA-N 1 0 334.420 2.235 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000298281036 465353595 /nfs/dbraw/zinc/35/35/95/465353595.db2.gz XCMXWOBFXRPTOG-GDBMZVCRSA-N 1 0 349.387 2.185 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000112925518 462554751 /nfs/dbraw/zinc/55/47/51/462554751.db2.gz QXWASOZLQQIBOT-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)C1CC1 ZINC000087138183 462591862 /nfs/dbraw/zinc/59/18/62/462591862.db2.gz LVSJQPQWCSFTSM-LBPRGKRZSA-N 1 0 332.404 2.145 20 5 EEBDRO CCS[C@H](C)c1noc(CN(C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000128048248 462604903 /nfs/dbraw/zinc/60/49/03/462604903.db2.gz XQAAJOPMPGYNMY-SNVBAGLBSA-N 1 0 340.409 2.120 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763948 462631853 /nfs/dbraw/zinc/63/18/53/462631853.db2.gz RPNJYSIBODBVLK-AWEZNQCLSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000153728358 462684912 /nfs/dbraw/zinc/68/49/12/462684912.db2.gz LTWKRHKCENOHTC-UHFFFAOYSA-N 1 0 348.403 2.232 20 5 EEBDRO CC1(C)CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000590698681 468311699 /nfs/dbraw/zinc/31/16/99/468311699.db2.gz MZEWYMINUCRQKX-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC[NH+](CC)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064419481 462702313 /nfs/dbraw/zinc/70/23/13/462702313.db2.gz JZLOQYRAJNTYRC-NSHDSACASA-N 1 0 343.811 2.474 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153903745 462706970 /nfs/dbraw/zinc/70/69/70/462706970.db2.gz CQFWIUIVBZOTCP-QGZVFWFLSA-N 1 0 349.387 2.044 20 5 EEBDRO CC(C)[C@@H]1CN(C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000153955906 462713108 /nfs/dbraw/zinc/71/31/08/462713108.db2.gz WMBGQUPHRFDROQ-HNNXBMFYSA-N 1 0 337.445 2.486 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047104470 462743985 /nfs/dbraw/zinc/74/39/85/462743985.db2.gz WLLAAQLDYYHEAD-GOEBONIOSA-N 1 0 332.404 2.363 20 5 EEBDRO COc1ccccc1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550128 462796429 /nfs/dbraw/zinc/79/64/29/462796429.db2.gz SRNCNUXNEVBJRY-AWEZNQCLSA-N 1 0 343.383 2.255 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2=O)c1 ZINC000090538980 462796526 /nfs/dbraw/zinc/79/65/26/462796526.db2.gz OBCFXLOIKGLANP-CYBMUJFWSA-N 1 0 343.387 2.269 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000090559570 462797518 /nfs/dbraw/zinc/79/75/18/462797518.db2.gz RSHKPHWNFZROOB-MRXNPFEDSA-N 1 0 342.399 2.333 20 5 EEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000090909866 462815416 /nfs/dbraw/zinc/81/54/16/462815416.db2.gz NFGRMPMUHHIWHU-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000091084876 462834317 /nfs/dbraw/zinc/83/43/17/462834317.db2.gz JMRDWHZYVLSBIZ-UHFFFAOYSA-N 1 0 329.347 2.246 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000091482828 462883608 /nfs/dbraw/zinc/88/36/08/462883608.db2.gz QUYKCQUMFIGIFV-GFCCVEGCSA-N 1 0 334.376 2.305 20 5 EEBDRO CC(C)C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000076605204 462884374 /nfs/dbraw/zinc/88/43/74/462884374.db2.gz HMTMWOHEEZFIGI-NSHDSACASA-N 1 0 333.392 2.220 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000133652592 462955941 /nfs/dbraw/zinc/95/59/41/462955941.db2.gz FIJMYIUHYLETNY-RDJZCZTQSA-N 1 0 331.416 2.388 20 5 EEBDRO Cc1cccc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092822363 462982373 /nfs/dbraw/zinc/98/23/73/462982373.db2.gz HEVUGDPLEAGQAC-GOSISDBHSA-N 1 0 342.399 2.250 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000050995352 463014098 /nfs/dbraw/zinc/01/40/98/463014098.db2.gz RTHOUHRKJRDSSY-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120661720 463023672 /nfs/dbraw/zinc/02/36/72/463023672.db2.gz PTOKSLWOMDNWPZ-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO COc1ccc(CC(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067901286 463064738 /nfs/dbraw/zinc/06/47/38/463064738.db2.gz BPIPDQODXUULIR-UHFFFAOYSA-N 1 0 349.431 2.384 20 5 EEBDRO Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988680 463129955 /nfs/dbraw/zinc/12/99/55/463129955.db2.gz ZGYVUVAURORTSN-AWEZNQCLSA-N 1 0 343.431 2.499 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000078674727 463139417 /nfs/dbraw/zinc/13/94/17/463139417.db2.gz NRUFUGPPQPPDGK-HNNXBMFYSA-N 1 0 329.404 2.287 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000122046638 463234825 /nfs/dbraw/zinc/23/48/25/463234825.db2.gz MMMQUWAJGQJRRF-GFCCVEGCSA-N 1 0 339.367 2.103 20 5 EEBDRO Cc1c(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000159870545 463308795 /nfs/dbraw/zinc/30/87/95/463308795.db2.gz KPURRAIDETZWCG-UHFFFAOYSA-N 1 0 340.383 2.190 20 5 EEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CC1CCCCC1 ZINC000123264014 463329506 /nfs/dbraw/zinc/32/95/06/463329506.db2.gz NBLWNSMBZZKTBD-UHFFFAOYSA-N 1 0 341.433 2.043 20 5 EEBDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160387824 463333768 /nfs/dbraw/zinc/33/37/68/463333768.db2.gz LMIOJQUIABWGOO-GFCCVEGCSA-N 1 0 332.385 2.282 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148445535 463401134 /nfs/dbraw/zinc/40/11/34/463401134.db2.gz FGUIOPCCISNLCM-NWDGAFQWSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161339694 463422237 /nfs/dbraw/zinc/42/22/37/463422237.db2.gz QDJYUTVENOMLLK-UHFFFAOYSA-N 1 0 328.372 2.321 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150829029 463435598 /nfs/dbraw/zinc/43/55/98/463435598.db2.gz PSUOPGLKSRUWRS-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000124708181 463455448 /nfs/dbraw/zinc/45/54/48/463455448.db2.gz RETIGXRPWOWVEK-QGZVFWFLSA-N 1 0 343.383 2.394 20 5 EEBDRO C[NH+]1CCN(c2ccc(NCc3csc([N+](=O)[O-])c3)cn2)CC1 ZINC000162933276 463550456 /nfs/dbraw/zinc/55/04/56/463550456.db2.gz PCVLJTXXZWKTGO-UHFFFAOYSA-N 1 0 333.417 2.415 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000072877913 463558043 /nfs/dbraw/zinc/55/80/43/463558043.db2.gz BILXJSQOKDTRTL-UHFFFAOYSA-N 1 0 338.327 2.226 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000083995964 463572335 /nfs/dbraw/zinc/57/23/35/463572335.db2.gz KUTMBEDKWDEUTJ-JTQLQIEISA-N 1 0 349.840 2.175 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)c2ncccc12 ZINC000108947212 463630439 /nfs/dbraw/zinc/63/04/39/463630439.db2.gz ZZPDIUPIRQKWLZ-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000085295792 463644366 /nfs/dbraw/zinc/64/43/66/463644366.db2.gz FMCOSDAVZVYWHG-UHFFFAOYSA-N 1 0 343.449 2.120 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000127135149 463684031 /nfs/dbraw/zinc/68/40/31/463684031.db2.gz TZAIPRQDZGNZBQ-LBPRGKRZSA-N 1 0 332.404 2.465 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000152516283 463699349 /nfs/dbraw/zinc/69/93/49/463699349.db2.gz LJZALXULHZSORJ-UHFFFAOYSA-N 1 0 342.779 2.450 20 5 EEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277051643 463857848 /nfs/dbraw/zinc/85/78/48/463857848.db2.gz LUFPUWGXIWNCPS-RKDXNWHRSA-N 1 0 348.325 2.125 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000277130205 463883912 /nfs/dbraw/zinc/88/39/12/463883912.db2.gz TVJMLAHSWQRSKJ-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000261884307 463887362 /nfs/dbraw/zinc/88/73/62/463887362.db2.gz WSQWXQJLECYKSX-LLVKDONJSA-N 1 0 331.376 2.395 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178434978 463900796 /nfs/dbraw/zinc/90/07/96/463900796.db2.gz PXMRGCJQSUEOCZ-UHFFFAOYSA-N 1 0 342.193 2.183 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000185893327 463900730 /nfs/dbraw/zinc/90/07/30/463900730.db2.gz WQIGGXFIKTUYSX-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278800367 463987227 /nfs/dbraw/zinc/98/72/27/463987227.db2.gz ZCNSBYDKHPYWDG-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000283828732 464023233 /nfs/dbraw/zinc/02/32/33/464023233.db2.gz GDGUWYXNGGJKMU-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590971953 468387717 /nfs/dbraw/zinc/38/77/17/468387717.db2.gz ZHZOMXUUEAAKLJ-GFCCVEGCSA-N 1 0 346.412 2.334 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179728540 464178924 /nfs/dbraw/zinc/17/89/24/464178924.db2.gz HLKOMDBWYAVDNR-INIZCTEOSA-N 1 0 343.383 2.297 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978340 464217558 /nfs/dbraw/zinc/21/75/58/464217558.db2.gz DBCUIRNVXPPQGS-ZFWWWQNUSA-N 1 0 336.388 2.476 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987450 464219074 /nfs/dbraw/zinc/21/90/74/464219074.db2.gz AHCUQGVQPKVTEO-KBPBESRZSA-N 1 0 336.388 2.476 20 5 EEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591056193 468400621 /nfs/dbraw/zinc/40/06/21/468400621.db2.gz USLIMCMQJFBVSY-BHYGNILZSA-N 1 0 329.400 2.299 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270250781 464234011 /nfs/dbraw/zinc/23/40/11/464234011.db2.gz QHSHXVGSBVCJIH-HNNXBMFYSA-N 1 0 347.415 2.164 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+](C)C)cc1SC ZINC000292484937 464249407 /nfs/dbraw/zinc/24/94/07/464249407.db2.gz WDPPBSGQBHKDJJ-JTQLQIEISA-N 1 0 341.433 2.253 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000281029465 464306805 /nfs/dbraw/zinc/30/68/05/464306805.db2.gz VBVKHJIPXISGPE-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180423696 464307751 /nfs/dbraw/zinc/30/77/51/464307751.db2.gz IJMYENXBGHXDIH-NSHDSACASA-N 1 0 334.376 2.014 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271667212 464357238 /nfs/dbraw/zinc/35/72/38/464357238.db2.gz FOZCHNPGBJYRME-UKRRQHHQSA-N 1 0 326.418 2.083 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCC[NH2+]C1 ZINC000238151101 464435532 /nfs/dbraw/zinc/43/55/32/464435532.db2.gz MURSMRHBLVJZNR-HNNXBMFYSA-N 1 0 349.434 2.271 20 5 EEBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285079902 464447389 /nfs/dbraw/zinc/44/73/89/464447389.db2.gz FTWIZPUNTREPGC-UHFFFAOYSA-N 1 0 347.400 2.119 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000281632186 464528482 /nfs/dbraw/zinc/52/84/82/464528482.db2.gz QOYRHWWWBXKUFS-CABCVRRESA-N 1 0 349.431 2.471 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272349340 464573646 /nfs/dbraw/zinc/57/36/46/464573646.db2.gz OIKZFQUQHBEROV-LBPRGKRZSA-N 1 0 341.358 2.487 20 5 EEBDRO Cc1c(C(=O)NCCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294773054 464599594 /nfs/dbraw/zinc/59/95/94/464599594.db2.gz GBBZTNHJSBBHHY-LLVKDONJSA-N 1 0 336.348 2.073 20 5 EEBDRO CNC(=O)[C@]1(C)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000281885798 464621847 /nfs/dbraw/zinc/62/18/47/464621847.db2.gz DCGIWJRCDXKEHE-QGZVFWFLSA-N 1 0 328.372 2.414 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294853272 464626283 /nfs/dbraw/zinc/62/62/83/464626283.db2.gz FRSCCPUXHZHUCH-QWRGUYRKSA-N 1 0 339.367 2.345 20 5 EEBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000175796916 464627238 /nfs/dbraw/zinc/62/72/38/464627238.db2.gz XTQRNWVMGFWQJO-CYBMUJFWSA-N 1 0 336.436 2.124 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000281944396 464644090 /nfs/dbraw/zinc/64/40/90/464644090.db2.gz JAJWYNMMJXIYFG-HOCLYGCPSA-N 1 0 333.388 2.025 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408555 464647173 /nfs/dbraw/zinc/64/71/73/464647173.db2.gz XVUGTLPWFCMIJE-WFASDCNBSA-N 1 0 332.356 2.391 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000176263993 464734759 /nfs/dbraw/zinc/73/47/59/464734759.db2.gz OSYVPBYCBRCHHM-UHFFFAOYSA-N 1 0 328.372 2.385 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266696499 464790812 /nfs/dbraw/zinc/79/08/12/464790812.db2.gz FWZDIUPVCSHYPE-UHFFFAOYSA-N 1 0 334.420 2.379 20 5 EEBDRO Cn1cc([C@H]2CSCCN2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191212236 464799850 /nfs/dbraw/zinc/79/98/50/464799850.db2.gz YNEDMZKZHQXIEZ-MRXNPFEDSA-N 1 0 348.428 2.497 20 5 EEBDRO CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000286166590 464825179 /nfs/dbraw/zinc/82/51/79/464825179.db2.gz WOJPOEHJMGODSB-AVKZDSLQSA-N 1 0 326.418 2.205 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282542047 464858217 /nfs/dbraw/zinc/85/82/17/464858217.db2.gz RNCBNKVEANXACG-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958924 464885326 /nfs/dbraw/zinc/88/53/26/464885326.db2.gz XEBDVWYRURWUTD-QGPMSJSTSA-N 1 0 344.415 2.105 20 5 EEBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2cnn(C)c2)c1 ZINC000282617917 464886148 /nfs/dbraw/zinc/88/61/48/464886148.db2.gz JGPWPTAJXIBVPC-UHFFFAOYSA-N 1 0 340.387 2.290 20 5 EEBDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295692312 464930602 /nfs/dbraw/zinc/93/06/02/464930602.db2.gz SRMQKTJABMZOQJ-OAHLLOKOSA-N 1 0 337.376 2.136 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000192605710 464956575 /nfs/dbraw/zinc/95/65/75/464956575.db2.gz DNAQKSQTFCVGRJ-ZDUSSCGKSA-N 1 0 333.388 2.161 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000268299694 465010353 /nfs/dbraw/zinc/01/03/53/465010353.db2.gz XNNLXRNJJPSNGE-MLGOLLRUSA-N 1 0 343.387 2.238 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593910732 468430883 /nfs/dbraw/zinc/43/08/83/468430883.db2.gz BQCHKRLNYKHIAA-DZKIICNBSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000359810309 465492638 /nfs/dbraw/zinc/49/26/38/465492638.db2.gz OWZJBJXCKVDIRF-IUODEOHRSA-N 1 0 328.372 2.316 20 5 EEBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298843732 465521839 /nfs/dbraw/zinc/52/18/39/465521839.db2.gz GVQJCAQPUBTFTF-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@]1(O)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000348381116 465575385 /nfs/dbraw/zinc/57/53/85/465575385.db2.gz WTJNKUYNOFPBMJ-KRWDZBQOSA-N 1 0 349.387 2.130 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348458856 465617697 /nfs/dbraw/zinc/61/76/97/465617697.db2.gz RFUJRSPZOWMFEL-UHFFFAOYSA-N 1 0 349.435 2.038 20 5 EEBDRO C[C@@H]1[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1C ZINC000356974995 465670827 /nfs/dbraw/zinc/67/08/27/465670827.db2.gz JKMSPRIGDZVZPA-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@@H]1[C@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000357042841 465723401 /nfs/dbraw/zinc/72/34/01/465723401.db2.gz RDXIOMQYIGIPSN-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357082321 465753628 /nfs/dbraw/zinc/75/36/28/465753628.db2.gz HRXWPOIPUQZIKJ-OAHLLOKOSA-N 1 0 346.431 2.163 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000330678295 465758628 /nfs/dbraw/zinc/75/86/28/465758628.db2.gz JXGFTWAJLNHHLU-KBPBESRZSA-N 1 0 335.404 2.223 20 5 EEBDRO C[C@H]1COCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990707 468453234 /nfs/dbraw/zinc/45/32/34/468453234.db2.gz JRPRXLIDVFSQSA-HNNXBMFYSA-N 1 0 349.431 2.159 20 5 EEBDRO Cn1ccnc1[C@H](NCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353520198 465949009 /nfs/dbraw/zinc/94/90/09/465949009.db2.gz NJSIKYDXPXCISG-QGZVFWFLSA-N 1 0 343.431 2.349 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000353546312 465970411 /nfs/dbraw/zinc/97/04/11/465970411.db2.gz NKRKBXOHHRDTCW-UHFFFAOYSA-N 1 0 343.449 2.167 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000349200161 466017855 /nfs/dbraw/zinc/01/78/55/466017855.db2.gz GVEZXZFGGONAMT-KGLIPLIRSA-N 1 0 337.420 2.365 20 5 EEBDRO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000353637451 466028597 /nfs/dbraw/zinc/02/85/97/466028597.db2.gz QJVUJKMWDFXLJN-INIZCTEOSA-N 1 0 343.431 2.425 20 5 EEBDRO C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274172 466048768 /nfs/dbraw/zinc/04/87/68/466048768.db2.gz SBOPVTPHKSNZCG-SJKOYZFVSA-N 1 0 335.379 2.392 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000338354564 466054680 /nfs/dbraw/zinc/05/46/80/466054680.db2.gz KHOUTFGXOQDSOQ-WCQYABFASA-N 1 0 335.335 2.219 20 5 EEBDRO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000555312882 468470325 /nfs/dbraw/zinc/47/03/25/468470325.db2.gz GWXRKGOLWCIJBD-MLGOLLRUSA-N 1 0 337.445 2.252 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)o1 ZINC000353715922 466091482 /nfs/dbraw/zinc/09/14/82/466091482.db2.gz XRWZKKNGBUIYDJ-GXTWGEPZSA-N 1 0 332.356 2.484 20 5 EEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000302461532 466143210 /nfs/dbraw/zinc/14/32/10/466143210.db2.gz ROMMZRSZJWKSAV-GOSISDBHSA-N 1 0 342.399 2.063 20 5 EEBDRO C[NH+](C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000353848441 466199678 /nfs/dbraw/zinc/19/96/78/466199678.db2.gz XVRMHXHSFHDCMN-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO O=C(C[NH2+]C1(CO)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000304887124 466319428 /nfs/dbraw/zinc/31/94/28/466319428.db2.gz MMNBDFFILYDLCL-UHFFFAOYSA-N 1 0 327.768 2.081 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000354007950 466321617 /nfs/dbraw/zinc/32/16/17/466321617.db2.gz UZJDGAZVHNHMBW-LBPRGKRZSA-N 1 0 332.404 2.335 20 5 EEBDRO Cc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1[N+](=O)[O-] ZINC000597223561 468485284 /nfs/dbraw/zinc/48/52/84/468485284.db2.gz PSHGWBCRCMQNGC-UHFFFAOYSA-N 1 0 333.432 2.447 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000358058032 466421172 /nfs/dbraw/zinc/42/11/72/466421172.db2.gz QAOLTMSPKOSYRY-UHFFFAOYSA-N 1 0 342.399 2.318 20 5 EEBDRO O=C(C[NH2+][C@H](CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000305761827 466452318 /nfs/dbraw/zinc/45/23/18/466452318.db2.gz FDWFLGPBAMTHJF-CQSZACIVSA-N 1 0 329.356 2.247 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000316620491 466574123 /nfs/dbraw/zinc/57/41/23/466574123.db2.gz LDDIFPNYXUMZHW-SCZZXKLOSA-N 1 0 347.824 2.057 20 5 EEBDRO COc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000322359107 466632160 /nfs/dbraw/zinc/63/21/60/466632160.db2.gz GOFZYVJDNFUQFH-GFCCVEGCSA-N 1 0 333.266 2.084 20 5 EEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374532435 466665534 /nfs/dbraw/zinc/66/55/34/466665534.db2.gz WWGRENRQDBXFKS-CQSZACIVSA-N 1 0 345.403 2.466 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000364162700 466686195 /nfs/dbraw/zinc/68/61/95/466686195.db2.gz UOGLEQGBRZXRKY-AWEZNQCLSA-N 1 0 346.431 2.457 20 5 EEBDRO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000423226777 466700688 /nfs/dbraw/zinc/70/06/88/466700688.db2.gz SFCBLWSHQLJVJA-MRXNPFEDSA-N 1 0 333.388 2.092 20 5 EEBDRO COC[C@@]1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]1 ZINC000423412839 466743356 /nfs/dbraw/zinc/74/33/56/466743356.db2.gz IUIHIHFNDLJFQF-WMZOPIPTSA-N 1 0 333.432 2.274 20 5 EEBDRO CCOc1ccc([C@@H](C)NC[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416442 466744473 /nfs/dbraw/zinc/74/44/73/466744473.db2.gz QNELANWWUSJKKL-DYVFJYSZSA-N 1 0 337.420 2.413 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423612101 466785250 /nfs/dbraw/zinc/78/52/50/466785250.db2.gz NQXKNJXWHBCEQN-LBPRGKRZSA-N 1 0 328.372 2.344 20 5 EEBDRO CC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411273850 466797561 /nfs/dbraw/zinc/79/75/61/466797561.db2.gz OXAQVSANCBBWSX-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000411508714 466838266 /nfs/dbraw/zinc/83/82/66/466838266.db2.gz BLJQPLRJRNJHNI-DLBZAZTESA-N 1 0 333.388 2.471 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000365620460 466884474 /nfs/dbraw/zinc/88/44/74/466884474.db2.gz HKBOZGHVXGQCTB-CYBMUJFWSA-N 1 0 344.371 2.357 20 5 EEBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000423953198 466926376 /nfs/dbraw/zinc/92/63/76/466926376.db2.gz JHZITSMCCPOESI-AWEZNQCLSA-N 1 0 325.796 2.424 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417854501 466957618 /nfs/dbraw/zinc/95/76/18/466957618.db2.gz QCZRNTZMDQVUOF-CFVMTHIKSA-N 1 0 332.404 2.215 20 5 EEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000424075163 466972689 /nfs/dbraw/zinc/97/26/89/466972689.db2.gz OZWIRGRQAUMQEY-GYSYKLTISA-N 1 0 335.404 2.357 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000412057347 466987385 /nfs/dbraw/zinc/98/73/85/466987385.db2.gz QVVXSPSSQUXMRM-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000417990124 467013668 /nfs/dbraw/zinc/01/36/68/467013668.db2.gz MANYIDMYPSMNAV-NSHDSACASA-N 1 0 340.811 2.090 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418298880 467089511 /nfs/dbraw/zinc/08/95/11/467089511.db2.gz KCKWKNGTVFWXHS-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO C[C@@H]1COCCN1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413121908 467173373 /nfs/dbraw/zinc/17/33/73/467173373.db2.gz HZSVCHBKTPAFAC-SECBINFHSA-N 1 0 334.298 2.141 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413141655 467177991 /nfs/dbraw/zinc/17/79/91/467177991.db2.gz TXRSYVKQACTXOZ-SNVBAGLBSA-N 1 0 347.341 2.056 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432340448 467232986 /nfs/dbraw/zinc/23/29/86/467232986.db2.gz YOIPWBZVFCQVCT-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO Cc1cn2c(n1)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378243500 467239991 /nfs/dbraw/zinc/23/99/91/467239991.db2.gz GWRUUFMUYYYBDG-CYBMUJFWSA-N 1 0 344.371 2.172 20 5 EEBDRO Cc1c(Br)c(N[C@@H](CC[NH3+])C(F)F)ncc1[N+](=O)[O-] ZINC000383326679 467380479 /nfs/dbraw/zinc/38/04/79/467380479.db2.gz UFHJHSUWBKPIAL-LURJTMIESA-N 1 0 339.140 2.455 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000394283190 467432501 /nfs/dbraw/zinc/43/25/01/467432501.db2.gz HIUNZVWWCSNKFL-NSHDSACASA-N 1 0 347.209 2.437 20 5 EEBDRO CCOC(=O)c1ccnc(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420622707 467435604 /nfs/dbraw/zinc/43/56/04/467435604.db2.gz GPUJXSMRXHBLND-UHFFFAOYSA-N 1 0 336.392 2.451 20 5 EEBDRO C[NH+](C)C1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000420624492 467436367 /nfs/dbraw/zinc/43/63/67/467436367.db2.gz JNIAIIRIHZPFBT-UHFFFAOYSA-N 1 0 343.225 2.459 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430569687 467441208 /nfs/dbraw/zinc/44/12/08/467441208.db2.gz ALKSKDVMXJXDAV-XJKSGUPXSA-N 1 0 334.420 2.291 20 5 EEBDRO CCC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116538 467455746 /nfs/dbraw/zinc/45/57/46/467455746.db2.gz IRZIZKBSONOUAL-HIFRSBDPSA-N 1 0 341.433 2.060 20 5 EEBDRO CC[C@@H]([NH3+])CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414989759 467462425 /nfs/dbraw/zinc/46/24/25/467462425.db2.gz OAEJTZCONYYDIT-SNVBAGLBSA-N 1 0 333.335 2.074 20 5 EEBDRO CCN1C[C@H](C)N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000408041736 467498988 /nfs/dbraw/zinc/49/89/88/467498988.db2.gz OESWCPYFLCIPDG-STQMWFEESA-N 1 0 341.433 2.006 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453609446 467502847 /nfs/dbraw/zinc/50/28/47/467502847.db2.gz IZHOFPHHNRRHJQ-LBPRGKRZSA-N 1 0 344.371 2.424 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)COC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000449151289 467620936 /nfs/dbraw/zinc/62/09/36/467620936.db2.gz XDACPQSVTGTDFC-GRTSSRMGSA-N 1 0 335.404 2.367 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493598637 467945505 /nfs/dbraw/zinc/94/55/05/467945505.db2.gz PTKGMKATDRLERV-TWZSPHTKSA-N 1 0 329.400 2.456 20 5 EEBDRO CC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]CC1 ZINC000515302715 467983900 /nfs/dbraw/zinc/98/39/00/467983900.db2.gz GWDYFHRGAYSERN-UHFFFAOYSA-N 1 0 346.431 2.070 20 5 EEBDRO Cc1ccc(OCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000550084900 468206637 /nfs/dbraw/zinc/20/66/37/468206637.db2.gz CPFVHRNJUPTSOZ-MRXNPFEDSA-N 1 0 346.383 2.312 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594201139 468510363 /nfs/dbraw/zinc/51/03/63/468510363.db2.gz NZCLNSHXLJUQEW-JKSUJKDBSA-N 1 0 333.388 2.107 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594217083 468515914 /nfs/dbraw/zinc/51/59/14/468515914.db2.gz OWHSDBYPZWQSHB-SJORKVTESA-N 1 0 346.431 2.453 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000556690636 468547136 /nfs/dbraw/zinc/54/71/36/468547136.db2.gz XFHHVZOHJWTZFK-LLVKDONJSA-N 1 0 337.767 2.004 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c2c(c1)COCO2 ZINC000570298471 468619484 /nfs/dbraw/zinc/61/94/84/468619484.db2.gz MYURDDYXNICBMG-MKBNYLNASA-N 1 0 334.372 2.054 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597793324 468672499 /nfs/dbraw/zinc/67/24/99/468672499.db2.gz HAPKQUKMFKXHNW-NSHDSACASA-N 1 0 341.795 2.089 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000592488003 468710058 /nfs/dbraw/zinc/71/00/58/468710058.db2.gz FGQAUZIPWJQJAZ-ZWNOBZJWSA-N 1 0 340.811 2.246 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000595046695 468747815 /nfs/dbraw/zinc/74/78/15/468747815.db2.gz NBDHJDIVGVUPKG-NWDGAFQWSA-N 1 0 333.388 2.265 20 5 EEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCO[C@@H]21 ZINC000584323115 468843212 /nfs/dbraw/zinc/84/32/12/468843212.db2.gz YSVYXUVDRJAEDY-FPCVCCKLSA-N 1 0 345.399 2.103 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595454243 468858938 /nfs/dbraw/zinc/85/89/38/468858938.db2.gz FSZKXCCETJGIKX-CVEARBPZSA-N 1 0 337.395 2.467 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539478 468906447 /nfs/dbraw/zinc/90/64/47/468906447.db2.gz FVQUFJULVJWEKV-UHFFFAOYSA-N 1 0 332.404 2.029 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598560491 468913604 /nfs/dbraw/zinc/91/36/04/468913604.db2.gz MYSIZYGRULUMJS-ZDUSSCGKSA-N 1 0 333.388 2.152 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598632046 468939533 /nfs/dbraw/zinc/93/95/33/468939533.db2.gz ZBFYJLQNDUVFRJ-CHWSQXEVSA-N 1 0 334.376 2.205 20 5 EEBDRO CCOc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000610515366 468991356 /nfs/dbraw/zinc/99/13/56/468991356.db2.gz OSUIOLDXUBLQHR-MRXNPFEDSA-N 1 0 348.447 2.210 20 5 EEBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2cn[nH]c2)cc1Br ZINC000602669767 469001788 /nfs/dbraw/zinc/00/17/88/469001788.db2.gz JTPWFKAPLIFNMJ-UHFFFAOYSA-N 1 0 331.195 2.474 20 5 EEBDRO COc1ccc(CNC(=O)c2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595932343 469088879 /nfs/dbraw/zinc/08/88/79/469088879.db2.gz MWTLLFQAGWHQCI-UHFFFAOYSA-N 1 0 341.367 2.179 20 5 EEBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000595984928 469105936 /nfs/dbraw/zinc/10/59/36/469105936.db2.gz YHFSWPDTUDYHER-CYBMUJFWSA-N 1 0 334.420 2.169 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601976119 469122746 /nfs/dbraw/zinc/12/27/46/469122746.db2.gz RRDPFFLUTCFGQX-OZVIIMIRSA-N 1 0 335.429 2.334 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000599157552 469141165 /nfs/dbraw/zinc/14/11/65/469141165.db2.gz YANBAYJRIFRZAJ-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000573580919 469165962 /nfs/dbraw/zinc/16/59/62/469165962.db2.gz VTXPYRPPHVLUEM-UHFFFAOYSA-N 1 0 335.408 2.189 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000602949290 469185760 /nfs/dbraw/zinc/18/57/60/469185760.db2.gz XZKYBMFCJXWBDJ-KGLIPLIRSA-N 1 0 349.435 2.304 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602954333 469188508 /nfs/dbraw/zinc/18/85/08/469188508.db2.gz VXCYCFWUJPAINU-UHFFFAOYSA-N 1 0 335.408 2.060 20 5 EEBDRO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611395444 469240746 /nfs/dbraw/zinc/24/07/46/469240746.db2.gz MKICXELFKDWGEU-INIZCTEOSA-N 1 0 335.404 2.210 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000596467833 469277036 /nfs/dbraw/zinc/27/70/36/469277036.db2.gz VHFRCDIVCXELEN-OAHLLOKOSA-N 1 0 327.388 2.138 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596467558 469277057 /nfs/dbraw/zinc/27/70/57/469277057.db2.gz SMWARMMVXVHBMW-HNNXBMFYSA-N 1 0 329.404 2.082 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCC[N@H+](CC4CC4)C3)c21 ZINC000596570679 469303293 /nfs/dbraw/zinc/30/32/93/469303293.db2.gz MOOHLFGEWANLFY-AWEZNQCLSA-N 1 0 341.415 3.072 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000602542364 469354395 /nfs/dbraw/zinc/35/43/95/469354395.db2.gz VXRQHGGZWRFURD-HTQZYQBOSA-N 1 0 337.323 2.256 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC000602542090 469354834 /nfs/dbraw/zinc/35/48/34/469354834.db2.gz SQCUNSKRSLYJPK-LDYMZIIASA-N 1 0 349.284 2.333 20 5 EEBDRO CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557027 469360444 /nfs/dbraw/zinc/36/04/44/469360444.db2.gz IYJLOBGUUIUYEX-KBPBESRZSA-N 1 0 336.436 2.345 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC000603422252 469390881 /nfs/dbraw/zinc/39/08/81/469390881.db2.gz DUUQVTKROMRSEK-MRXNPFEDSA-N 1 0 348.447 2.112 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604474696 469481027 /nfs/dbraw/zinc/48/10/27/469481027.db2.gz CRNHLKKKBRMSOI-MRXNPFEDSA-N 1 0 347.415 2.230 20 5 EEBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000619787922 469681930 /nfs/dbraw/zinc/68/19/30/469681930.db2.gz ZSOHFWLSRXKKFC-OAHLLOKOSA-N 1 0 343.387 2.275 20 5 EEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000619785837 469682324 /nfs/dbraw/zinc/68/23/24/469682324.db2.gz YYCQXNGSLBQUNU-UHFFFAOYSA-N 1 0 347.375 2.291 20 5 EEBDRO CC(C)(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000609995656 469972883 /nfs/dbraw/zinc/97/28/83/469972883.db2.gz FVRDJZFTKHGEQL-UHFFFAOYSA-N 1 0 349.435 2.003 20 5 EEBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610273017 469998006 /nfs/dbraw/zinc/99/80/06/469998006.db2.gz LKLFRVTUFQUXLA-UHFFFAOYSA-N 1 0 338.360 2.187 20 5 EEBDRO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368117 470008417 /nfs/dbraw/zinc/00/84/17/470008417.db2.gz YJJJHCYSVKMDBK-INIZCTEOSA-N 1 0 348.403 2.073 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598585889 485620163 /nfs/dbraw/zinc/62/01/63/485620163.db2.gz BDEIVWORHHKISG-ZDUSSCGKSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000420398938 534028712 /nfs/dbraw/zinc/02/87/12/534028712.db2.gz HGLGIOJOVMXKJV-GHMZBOCLSA-N 1 0 340.811 2.103 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000111353255 535490363 /nfs/dbraw/zinc/49/03/63/535490363.db2.gz NZOPXRQNUWSNKB-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO COC1CCC([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000734475308 577301694 /nfs/dbraw/zinc/30/16/94/577301694.db2.gz NMTCFYPOEITICC-UHFFFAOYSA-N 1 0 347.213 2.401 20 5 EEBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000773108249 577316286 /nfs/dbraw/zinc/31/62/86/577316286.db2.gz UTKNWYJOJYMZEL-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000774196977 577388377 /nfs/dbraw/zinc/38/83/77/577388377.db2.gz HJHLYBXRFZBCQU-BFHYXJOUSA-N 1 0 334.376 2.500 20 5 EEBDRO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc([N+](=O)[O-])cc12 ZINC000765051556 577493632 /nfs/dbraw/zinc/49/36/32/577493632.db2.gz CDUYEUHVWDTEHE-HIFRSBDPSA-N 1 0 329.404 2.379 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000765290013 577498659 /nfs/dbraw/zinc/49/86/59/577498659.db2.gz GAWLQFNZEWBIAD-CYBMUJFWSA-N 1 0 333.310 2.076 20 5 EEBDRO C[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000756950068 577853685 /nfs/dbraw/zinc/85/36/85/577853685.db2.gz BGTXUXVMDVQWQV-UHFFFAOYSA-N 1 0 326.784 2.142 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748837016 577967991 /nfs/dbraw/zinc/96/79/91/577967991.db2.gz DVJYVFLBUWIADZ-LLVKDONJSA-N 1 0 348.359 2.086 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870762 578125455 /nfs/dbraw/zinc/12/54/55/578125455.db2.gz ZYALUCBUMMJXBF-UHFFFAOYSA-N 1 0 338.477 2.189 20 5 EEBDRO C[N@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC000736801536 578224560 /nfs/dbraw/zinc/22/45/60/578224560.db2.gz YBMOFJGWBKDMET-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH+](C)CC1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000120320711 674907304 /nfs/dbraw/zinc/90/73/04/674907304.db2.gz ASDPPUVCHMIEGL-UHFFFAOYSA-N 1 0 347.462 2.057 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000010138592 675930645 /nfs/dbraw/zinc/93/06/45/675930645.db2.gz MWSZDRJCSONHIA-OAHLLOKOSA-N 1 0 342.399 2.080 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCC1 ZINC001021887610 676536171 /nfs/dbraw/zinc/53/61/71/676536171.db2.gz WIDWQIIPKQQGQP-GASCZTMLSA-N 1 0 331.372 2.026 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000891409584 676572903 /nfs/dbraw/zinc/57/29/03/676572903.db2.gz HXTHDFJVAHXERD-AWEZNQCLSA-N 1 0 334.420 2.215 20 5 EEBDRO Cc1c(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000891848823 676864386 /nfs/dbraw/zinc/86/43/86/676864386.db2.gz LUXXXKKBTFUIBW-AWEZNQCLSA-N 1 0 334.420 2.481 20 5 EEBDRO Cn1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C1CC1 ZINC000892081198 677980841 /nfs/dbraw/zinc/98/08/41/677980841.db2.gz VWXALVDSIUABII-AWEZNQCLSA-N 1 0 342.403 2.287 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CC1 ZINC000840878115 679813716 /nfs/dbraw/zinc/81/37/16/679813716.db2.gz FOEWRLNWQBXZMB-GFCCVEGCSA-N 1 0 326.418 2.083 20 5 EEBDRO COc1c(O)ccc(CNC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000892534202 681606660 /nfs/dbraw/zinc/60/66/60/681606660.db2.gz CKWQKYCRUKCEHM-CYBMUJFWSA-N 1 0 325.409 2.375 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCCC1 ZINC000261744962 681933780 /nfs/dbraw/zinc/93/37/80/681933780.db2.gz LJNFKRNCZYFWHB-UHFFFAOYSA-N 1 0 332.316 2.144 20 5 EEBDRO C[C@]1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892802166 683081878 /nfs/dbraw/zinc/08/18/78/683081878.db2.gz ZWHBUMJXPUBVGX-INIZCTEOSA-N 1 0 335.429 2.287 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000894954983 683423722 /nfs/dbraw/zinc/42/37/22/683423722.db2.gz FOZDFTVAUFNZBX-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CCC1 ZINC001025946754 683670628 /nfs/dbraw/zinc/67/06/28/683670628.db2.gz RFEOVTCDDHRDQO-FOLVSLTJSA-N 1 0 329.400 2.331 20 5 EEBDRO Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001059272269 683867495 /nfs/dbraw/zinc/86/74/95/683867495.db2.gz TXAZRCRHZGUFPL-HAQNSBGRSA-N 1 0 347.350 2.067 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@H](C)[NH2+]1 ZINC000153463471 684046822 /nfs/dbraw/zinc/04/68/22/684046822.db2.gz OEZJZHKLBNJKET-CHWSQXEVSA-N 1 0 332.404 2.017 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893186866 684094305 /nfs/dbraw/zinc/09/43/05/684094305.db2.gz HMZGDIODKKVVKS-KGLIPLIRSA-N 1 0 334.420 2.482 20 5 EEBDRO COc1cc(C[NH2+]C[C@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896594230 685114490 /nfs/dbraw/zinc/11/44/90/685114490.db2.gz GAVNZWLAWACION-LLVKDONJSA-N 1 0 345.346 2.041 20 5 EEBDRO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425194 686649232 /nfs/dbraw/zinc/64/92/32/686649232.db2.gz CUTXZQREICNGJY-IAGOWNOFSA-N 1 0 331.416 2.083 20 5 EEBDRO C[C@@H]1CN([C@H](C[NH2+]CC[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000905044957 694508920 /nfs/dbraw/zinc/50/89/20/694508920.db2.gz GSJOIJHQLYSADY-BXUZGUMPSA-N 1 0 345.802 2.107 20 5 EEBDRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034642573 1196463709 /nfs/dbraw/zinc/46/37/09/1196463709.db2.gz DPXIXRLQAKEPHO-YFHUEUNASA-N 1 0 345.443 2.486 20 5 EEBDRO CCOC(=O)Cc1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000825754267 1199079737 /nfs/dbraw/zinc/07/97/37/1199079737.db2.gz YWNJSYQCXBFACE-HNNXBMFYSA-N 1 0 349.431 2.478 20 5 EEBDRO [NH3+][C@H]1C[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000877243408 1199887169 /nfs/dbraw/zinc/88/71/69/1199887169.db2.gz KNGAAWXTPSUGFH-CZMCAQCFSA-N 1 0 329.809 2.194 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201458 1201420595 /nfs/dbraw/zinc/42/05/95/1201420595.db2.gz MHIZRBJOIOLXCX-INIZCTEOSA-N 1 0 337.395 2.467 20 5 EEBDRO Cc1cc(OS(=O)(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000866426893 1201515193 /nfs/dbraw/zinc/51/51/93/1201515193.db2.gz ICPYLHNBVNQDJJ-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866590064 1201555938 /nfs/dbraw/zinc/55/59/38/1201555938.db2.gz OXTKWUFYGWNLLI-HNNXBMFYSA-N 1 0 332.448 2.368 20 5 EEBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)cc1Cl ZINC000866618919 1201561168 /nfs/dbraw/zinc/56/11/68/1201561168.db2.gz NBHZGTLZCXGCEU-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868280712 1201782384 /nfs/dbraw/zinc/78/23/84/1201782384.db2.gz HENTXMXCDLVGSM-TZMCWYRMSA-N 1 0 335.379 2.362 20 5 EEBDRO Cc1nc(C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)[nH]c1C ZINC000886659943 1202541139 /nfs/dbraw/zinc/54/11/39/1202541139.db2.gz YZIPHPZGPBZLKO-UHFFFAOYSA-N 1 0 332.408 2.319 20 5 EEBDRO CN(CCCNC(=O)CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095601985 1205887898 /nfs/dbraw/zinc/88/78/98/1205887898.db2.gz RRPYFWNBSJUGBK-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc([N+](=O)[O-])cc1 ZINC000932177560 1207554443 /nfs/dbraw/zinc/55/44/43/1207554443.db2.gz CDSSWVFHXNGGKT-SECBINFHSA-N 1 0 340.181 2.300 20 5 EEBDRO CC1(C(=O)NCC[NH+]2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001111323732 1210389529 /nfs/dbraw/zinc/38/95/29/1210389529.db2.gz SGSPYYHEGLXDPH-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000246219666 1212091470 /nfs/dbraw/zinc/09/14/70/1212091470.db2.gz QMZXLJVZPUJLBF-YPMHNXCESA-N 1 0 334.420 2.336 20 5 EEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000795694751 1214948285 /nfs/dbraw/zinc/94/82/85/1214948285.db2.gz RCUICRIVFTXNIX-OWCLPIDISA-N 1 0 328.372 2.253 20 5 EEBDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001017544594 1227506129 /nfs/dbraw/zinc/50/61/29/1227506129.db2.gz UVTVLGHSBCFEAY-XMTFNYHQSA-N 1 0 343.427 2.144 20 5 EEBDRO Cc1nscc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020090657 1229479160 /nfs/dbraw/zinc/47/91/60/1229479160.db2.gz WQBZODMAUHBKIN-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO C[NH+](C)CCCC(=O)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096068892 1234376973 /nfs/dbraw/zinc/37/69/73/1234376973.db2.gz ZYPQNLWNFPHZOT-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096117042 1235024556 /nfs/dbraw/zinc/02/45/56/1235024556.db2.gz QWXDXKUVBXGEGE-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCCOCC1)C1CC1 ZINC000903226866 1240049209 /nfs/dbraw/zinc/04/92/09/1240049209.db2.gz IKMRAJLKYHZOPW-QGZVFWFLSA-N 1 0 333.432 2.228 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001097052924 1243632410 /nfs/dbraw/zinc/63/24/10/1243632410.db2.gz DZRBDDMFLFPHMZ-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC001101370412 1245727955 /nfs/dbraw/zinc/72/79/55/1245727955.db2.gz XUXYOBBCLHOMKA-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001101810968 1246206904 /nfs/dbraw/zinc/20/69/04/1246206904.db2.gz FBDFCJQDXLOUDE-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850461904 1277234662 /nfs/dbraw/zinc/23/46/62/1277234662.db2.gz LNTSAMQLNUZNKH-RYUDHWBXSA-N 1 0 337.376 2.485 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867092748 1282827466 /nfs/dbraw/zinc/82/74/66/1282827466.db2.gz JCOXZMOLCHHROK-GFCCVEGCSA-N 1 0 337.395 2.465 20 5 EEBDRO O=C1OCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852723093 1292176276 /nfs/dbraw/zinc/17/62/76/1292176276.db2.gz PCJHBXXVKVRCRJ-UHFFFAOYSA-N 1 0 349.387 2.280 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767706 1293911451 /nfs/dbraw/zinc/91/14/51/1293911451.db2.gz GKTJEUYIHJTLPU-JTQLQIEISA-N 1 0 331.319 2.200 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2C[NH2+]Cc3ccccc32)[nH]1 ZINC001218485618 1297677194 /nfs/dbraw/zinc/67/71/94/1297677194.db2.gz DPLSMEOLSIWLSM-OAHLLOKOSA-N 1 0 338.323 2.467 20 5 EEBDRO O=[N+]([O-])c1cc(COC2CC[NH+](CCF)CC2)cc([N+](=O)[O-])c1 ZINC001223486757 1300151002 /nfs/dbraw/zinc/15/10/02/1300151002.db2.gz CGKFMMRHLQZORV-UHFFFAOYSA-N 1 0 327.312 2.454 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](OCCC[N+](C)(C)C)CO2)C1 ZINC001224619422 1300671576 /nfs/dbraw/zinc/67/15/76/1300671576.db2.gz NRJSMJABDICBAW-YJBOKZPZSA-N 1 0 343.488 2.268 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001225100890 1300889921 /nfs/dbraw/zinc/88/99/21/1300889921.db2.gz MRYYPWQABDECTM-JJXSEGSLSA-N 1 0 343.488 2.122 20 5 EEBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)ncc1Br ZINC001228911009 1302516598 /nfs/dbraw/zinc/51/65/98/1302516598.db2.gz ZFWMVBMIXMMHLT-VIFPVBQESA-N 1 0 332.218 2.104 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229358004 1302744521 /nfs/dbraw/zinc/74/45/21/1302744521.db2.gz JSHCXCCBIHJCKK-QHBPRCKVSA-N 1 0 344.371 2.353 20 5 EEBDRO COCC[NH+]1CCC(Oc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001231055698 1303603058 /nfs/dbraw/zinc/60/30/58/1303603058.db2.gz MJLWBOIOAIBYQF-UHFFFAOYSA-N 1 0 332.360 2.028 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)ccc1Cc1ccccc1 ZINC001231192822 1303675881 /nfs/dbraw/zinc/67/58/81/1303675881.db2.gz YULICBXGODBTHN-GOSISDBHSA-O 1 0 344.431 2.346 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CCC1 ZINC001111828000 1303956878 /nfs/dbraw/zinc/95/68/78/1303956878.db2.gz LVGNFQDBSMOAMG-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[N@H+](CCCNC(=O)CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001235044133 1305095510 /nfs/dbraw/zinc/09/55/10/1305095510.db2.gz RIBITLYFRFYMOI-UHFFFAOYSA-N 1 0 333.310 2.485 20 5 EEBDRO C[N@H+](CCCNC(=O)C1=COCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001235479446 1305247900 /nfs/dbraw/zinc/24/79/00/1305247900.db2.gz DBBIWKYOIJSMQV-UHFFFAOYSA-N 1 0 333.388 2.227 20 5 EEBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000799995652 1305531290 /nfs/dbraw/zinc/53/12/90/1305531290.db2.gz RWUCVCOEPVIQQT-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001117957184 1306228542 /nfs/dbraw/zinc/22/85/42/1306228542.db2.gz YCELDBHSMYGQFT-QMMMGPOBSA-N 1 0 345.197 2.334 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC001122390989 1310275719 /nfs/dbraw/zinc/27/57/19/1310275719.db2.gz FDZMYOWHVFELKT-HNNXBMFYSA-N 1 0 334.420 2.435 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4C[NH2+]CCN4)n3)nc12 ZINC001247717694 1310696507 /nfs/dbraw/zinc/69/65/07/1310696507.db2.gz SOUAKZMXYZTKRV-CQSZACIVSA-N 1 0 332.367 2.067 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000828840573 1314479268 /nfs/dbraw/zinc/47/92/68/1314479268.db2.gz SHDDKWACFYYANW-ZDUSSCGKSA-N 1 0 333.388 2.158 20 5 EEBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000838184949 1315141828 /nfs/dbraw/zinc/14/18/28/1315141828.db2.gz BTNCWSPEIURLAZ-UHFFFAOYSA-N 1 0 327.450 2.474 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000843094358 1315840411 /nfs/dbraw/zinc/84/04/11/1315840411.db2.gz JHVUIFKDBKQEGF-HKUYNNGSSA-N 1 0 344.411 2.438 20 5 EEBDRO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843094248 1315840533 /nfs/dbraw/zinc/84/05/33/1315840533.db2.gz JXHXTSUETHDOEQ-QAPCUYQASA-N 1 0 346.383 2.003 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[C@H]([NH3+])c3ccccc3)n2)n1C ZINC000843221357 1315869361 /nfs/dbraw/zinc/86/93/61/1315869361.db2.gz IBQZCRPFAQFXCR-CABZTGNLSA-N 1 0 342.359 2.490 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843354479 1315898761 /nfs/dbraw/zinc/89/87/61/1315898761.db2.gz IOOHCCKPZOIQEA-SNVBAGLBSA-N 1 0 329.759 2.140 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843384941 1315904301 /nfs/dbraw/zinc/90/43/01/1315904301.db2.gz KDLVTQRIEDVACO-LBPRGKRZSA-N 1 0 340.811 2.390 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000843472622 1315920160 /nfs/dbraw/zinc/92/01/60/1315920160.db2.gz KDFYRZLRCDVGON-KRWDZBQOSA-N 1 0 332.404 2.006 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843507631 1315925779 /nfs/dbraw/zinc/92/57/79/1315925779.db2.gz QIQCWRMMKLEJKE-NSHDSACASA-N 1 0 348.359 2.216 20 5 EEBDRO O=C(Cc1ccccc1F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149692221 1316016025 /nfs/dbraw/zinc/01/60/25/1316016025.db2.gz DLYGSPZLFRHLRB-UHFFFAOYSA-N 1 0 331.347 2.182 20 5 EEBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)nc1 ZINC001249278040 1317042590 /nfs/dbraw/zinc/04/25/90/1317042590.db2.gz DXPKRISHOYLCFC-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO C[C@H]1[NH2+]CC[C@H]1Nc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001155188706 1317493498 /nfs/dbraw/zinc/49/34/98/1317493498.db2.gz VRCGSDRUMXOXAF-RFZPGFLSSA-N 1 0 325.678 2.219 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001155599112 1317668283 /nfs/dbraw/zinc/66/82/83/1317668283.db2.gz RYLRLPHBBSGHAW-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO CC(C)Oc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155623774 1317679148 /nfs/dbraw/zinc/67/91/48/1317679148.db2.gz CUSMCHBROYHQID-LRDDRELGSA-N 1 0 336.392 2.100 20 5 EEBDRO Cc1ncn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1CC[NH3+] ZINC001254465650 1318081815 /nfs/dbraw/zinc/08/18/15/1318081815.db2.gz IJTDCIQKYXIIMC-UHFFFAOYSA-N 1 0 329.404 2.442 20 5 EEBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc(Cl)cc([N+](=O)[O-])n2)COC1 ZINC001156631669 1318122257 /nfs/dbraw/zinc/12/22/57/1318122257.db2.gz BUQWJFXTCCRAKQ-UHFFFAOYSA-N 1 0 348.790 2.378 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001254563625 1318122958 /nfs/dbraw/zinc/12/29/58/1318122958.db2.gz ZRFUOXQAEQAHDN-WBVHZDCISA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001254571651 1318125532 /nfs/dbraw/zinc/12/55/32/1318125532.db2.gz ZWVJKVYFSJCMMA-DZGCQCFKSA-N 1 0 328.372 2.469 20 5 EEBDRO O=C(NCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC001254578366 1318129583 /nfs/dbraw/zinc/12/95/83/1318129583.db2.gz KLHLPXRJBGRIFI-INIZCTEOSA-N 1 0 340.383 2.473 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cn(Cc3ccccn3)cn1)C2 ZINC001254585189 1318133134 /nfs/dbraw/zinc/13/31/34/1318133134.db2.gz BVZIWPRTAHIIAY-KRWDZBQOSA-N 1 0 349.394 2.492 20 5 EEBDRO CCc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001156915053 1318284024 /nfs/dbraw/zinc/28/40/24/1318284024.db2.gz BMIJLYRNZCGABS-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])s3)o2)C[C@@H](C)O1 ZINC001258013487 1319127467 /nfs/dbraw/zinc/12/74/67/1319127467.db2.gz WKFOADDKWPRUBS-NXEZZACHSA-N 1 0 338.389 2.358 20 5 EEBDRO CCOC(=O)C1=C(Nc2nccc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC001159452997 1319812042 /nfs/dbraw/zinc/81/20/42/1319812042.db2.gz CRSWLFUOTOQOQI-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2C[NH3+])n1 ZINC001160337464 1320137971 /nfs/dbraw/zinc/13/79/71/1320137971.db2.gz DSUHJBIASUYQNK-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc2c1 ZINC001160737202 1320253896 /nfs/dbraw/zinc/25/38/96/1320253896.db2.gz OOOKCMMRMYBMMQ-ZJUUUORDSA-N 1 0 341.293 2.490 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2ncnc3cccc([N+](=O)[O-])c32)C2COC2)CC1 ZINC001161279908 1320443200 /nfs/dbraw/zinc/44/32/00/1320443200.db2.gz HBXSWTBIVNHZPV-HAQNSBGRSA-N 1 0 343.387 2.013 20 5 EEBDRO Cc1ccnc(NC2(Cc3ccccn3)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161492167 1320517158 /nfs/dbraw/zinc/51/71/58/1320517158.db2.gz VAJJUABASGPHTN-UHFFFAOYSA-N 1 0 327.388 2.470 20 5 EEBDRO COc1nc(SC)nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162453643 1320860391 /nfs/dbraw/zinc/86/03/91/1320860391.db2.gz KYKIVWPJNGLHLS-ZJUUUORDSA-N 1 0 341.437 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001162791899 1320959910 /nfs/dbraw/zinc/95/99/10/1320959910.db2.gz FBZUKAZATFAGQC-LJUAHTATSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)ccc1OC(F)(F)F ZINC001163074453 1321028787 /nfs/dbraw/zinc/02/87/87/1321028787.db2.gz WTNDUCMORNDYNL-GFCCVEGCSA-N 1 0 347.293 2.284 20 5 EEBDRO COc1ccc(CCCNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1 ZINC001164192608 1321313353 /nfs/dbraw/zinc/31/33/53/1321313353.db2.gz WTPIHWIULGPICD-UHFFFAOYSA-N 1 0 343.387 2.125 20 5 EEBDRO CCOc1cc(NCC2([NH+](C)C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001164217524 1321322486 /nfs/dbraw/zinc/32/24/86/1321322486.db2.gz WAYITNDERDZAJC-UHFFFAOYSA-N 1 0 336.436 2.431 20 5 EEBDRO [NH3+]CCON=c1[nH]nc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001164423951 1321375476 /nfs/dbraw/zinc/37/54/76/1321375476.db2.gz OXTBDVHYVUOBPL-UHFFFAOYSA-N 1 0 343.265 2.373 20 5 EEBDRO O=C(NCCC1(C[NH2+]CCCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490995 1321394708 /nfs/dbraw/zinc/39/47/08/1321394708.db2.gz WGUVILGSHQAPEB-HZPDHXFCSA-N 1 0 337.464 2.498 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC001164608975 1321434027 /nfs/dbraw/zinc/43/40/27/1321434027.db2.gz ZEAATESFKLFGHA-CYBMUJFWSA-N 1 0 347.806 2.368 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@@H]43)nn2)ccc1F ZINC001165397810 1321516209 /nfs/dbraw/zinc/51/62/09/1321516209.db2.gz XKZLSYMDOUMUOX-ZFWWWQNUSA-N 1 0 329.335 2.132 20 5 EEBDRO CC(C)[C@]1(CO)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351932960 1321944113 /nfs/dbraw/zinc/94/41/13/1321944113.db2.gz ADASDAILOCSDEQ-FUHWJXTLSA-N 1 0 347.415 2.041 20 5 EEBDRO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC001307879833 1331554542 /nfs/dbraw/zinc/55/45/42/1331554542.db2.gz WPMXTVDSDWKVGU-OAHLLOKOSA-N 1 0 348.403 2.057 20 5 EEBDRO COc1cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)ccc1[N+](=O)[O-] ZINC001320209544 1332848441 /nfs/dbraw/zinc/84/84/41/1332848441.db2.gz LGTXTLRKOQAFEA-LBPRGKRZSA-N 1 0 330.344 2.463 20 5 EEBDRO C[NH+](C)C1(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCCC1 ZINC001609265773 1351915201 /nfs/dbraw/zinc/91/52/01/1351915201.db2.gz FJVZMDDJTCOKGH-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001334355195 1336243697 /nfs/dbraw/zinc/24/36/97/1336243697.db2.gz AJOIGGSLLMETAU-UHFFFAOYSA-N 1 0 346.431 2.394 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001338551021 1336875478 /nfs/dbraw/zinc/87/54/78/1336875478.db2.gz LXAJGPOUQNLJIT-UONOGXRCSA-N 1 0 331.372 2.470 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001341083995 1337280179 /nfs/dbraw/zinc/28/01/79/1337280179.db2.gz OKMAHKLQGOSECM-UHFFFAOYSA-N 1 0 347.423 2.122 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccsn3)c2)CC1 ZINC001355081511 1338692045 /nfs/dbraw/zinc/69/20/45/1338692045.db2.gz QBORYXUERUKKCF-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582800 1338724706 /nfs/dbraw/zinc/72/47/06/1338724706.db2.gz JVXZYFDLLRLQLX-NSHDSACASA-N 1 0 343.330 2.024 20 5 EEBDRO CCOc1cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001578166230 1344243657 /nfs/dbraw/zinc/24/36/57/1344243657.db2.gz PDJTYUIQBHXXDA-GHMZBOCLSA-N 1 0 333.310 2.315 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2(C(F)(F)F)CC[NH2+]CC2)c1 ZINC001579241636 1344358222 /nfs/dbraw/zinc/35/82/22/1344358222.db2.gz DCSJXPJEPKSHAZ-UHFFFAOYSA-N 1 0 347.293 2.018 20 5 EEBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001580493610 1344526028 /nfs/dbraw/zinc/52/60/28/1344526028.db2.gz ISMJOUNFZDKYMY-ACVFHECNSA-N 1 0 339.355 2.114 20 5 EEBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC2(C1)CC[NH2+]CC2 ZINC001580815483 1344562814 /nfs/dbraw/zinc/56/28/14/1344562814.db2.gz HMRHWIRCDKNURM-UHFFFAOYSA-N 1 0 341.314 2.022 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589136904 1348964513 /nfs/dbraw/zinc/96/45/13/1348964513.db2.gz VCOHUZYUZQTUAG-SECBINFHSA-N 1 0 349.370 2.199 20 5 EEBDRO O=[N+]([O-])c1c(NCCCCC[NH+]2CCCC2)cccc1-c1nn[nH]n1 ZINC001593465083 1349802648 /nfs/dbraw/zinc/80/26/48/1349802648.db2.gz IATQNTXZHUOOCD-UHFFFAOYSA-N 1 0 345.407 2.453 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603078072 1350634510 /nfs/dbraw/zinc/63/45/10/1350634510.db2.gz SBRMMLQRNVHGRW-LLVKDONJSA-N 1 0 345.407 2.307 20 5 EEBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001603223403 1350665622 /nfs/dbraw/zinc/66/56/22/1350665622.db2.gz LWOAJNVJZVESDT-OAHLLOKOSA-N 1 0 345.407 2.307 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604219080 1350895979 /nfs/dbraw/zinc/89/59/79/1350895979.db2.gz BDOFUTYIXMRTSW-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[NH+](C2CCCC2)CC1 ZINC000794616793 1369587043 /nfs/dbraw/zinc/58/70/43/1369587043.db2.gz KYYLXIFQVVGIBM-UHFFFAOYSA-N 1 0 346.387 2.020 20 5 EEBDRO C[C@@H](COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001123222664 1372110884 /nfs/dbraw/zinc/11/08/84/1372110884.db2.gz WZUKZDQYARNWJY-LLVKDONJSA-N 1 0 342.779 2.373 20 5 EEBDRO C[C@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001346938802 1372972795 /nfs/dbraw/zinc/97/27/95/1372972795.db2.gz VCGHNDKWHCTUCW-UKRRQHHQSA-N 1 0 348.451 2.090 20 5 EEBDRO CCC1([NH2+]CCCC(C)C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001755069068 1407078204 /nfs/dbraw/zinc/07/82/04/1407078204.db2.gz SYZISTUMGUXKPP-HUUCEWRRSA-N 1 0 325.453 2.449 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[C@@H]1C[NH3+] ZINC001576783294 1403604036 /nfs/dbraw/zinc/60/40/36/1403604036.db2.gz PSQWINFVTMMLAW-RKDXNWHRSA-N 1 0 341.799 2.279 20 5 EEBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)C[NH2+]C ZINC001577657555 1403667595 /nfs/dbraw/zinc/66/75/95/1403667595.db2.gz NRAHFYSRXWEDRN-LBPRGKRZSA-N 1 0 332.408 2.165 20 5 EEBDRO Cc1c(Br)c(NCC[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165821369 1405716779 /nfs/dbraw/zinc/71/67/79/1405716779.db2.gz KPHGRIJQDQIHIR-VIFPVBQESA-N 1 0 329.198 2.472 20 5 EEBDRO CCn1cnc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001752097802 1406209624 /nfs/dbraw/zinc/20/96/24/1406209624.db2.gz BBCQNVKBUYTHKM-UHFFFAOYSA-N 1 0 345.403 2.063 20 5 EEBDRO CC(C)Oc1cc(C(=O)NOC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000846651841 790313235 /nfs/dbraw/zinc/31/32/35/790313235.db2.gz WVEATMIVVZDKKU-UHFFFAOYSA-N 1 0 337.376 2.138 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261688461 780100969 /nfs/dbraw/zinc/10/09/69/780100969.db2.gz ARQSCAKVWZBMRI-OAHLLOKOSA-N 1 0 327.331 2.382 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NCC1(SC)CC[NH+](C)CC1 ZINC000893910441 780297152 /nfs/dbraw/zinc/29/71/52/780297152.db2.gz FYHLYLRTNQZWOO-UHFFFAOYSA-N 1 0 326.422 2.238 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091470910 790930814 /nfs/dbraw/zinc/93/08/14/790930814.db2.gz LGBIFLALLRONBJ-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO CCCn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001135719627 784296611 /nfs/dbraw/zinc/29/66/11/784296611.db2.gz LVWRWUVUNHQJJD-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817994634 785112394 /nfs/dbraw/zinc/11/23/94/785112394.db2.gz DVQSVGTVVINLFP-LBPRGKRZSA-N 1 0 329.759 2.187 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818554960 785290654 /nfs/dbraw/zinc/29/06/54/785290654.db2.gz DZNHGEJRXPSBMM-JTQLQIEISA-N 1 0 331.775 2.419 20 5 EEBDRO Cc1c(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818596436 785316711 /nfs/dbraw/zinc/31/67/11/785316711.db2.gz FJVAEYUBPGIBIV-UHFFFAOYSA-N 1 0 336.348 2.073 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000819061934 785381985 /nfs/dbraw/zinc/38/19/85/785381985.db2.gz YGEHGIYJWYXMRI-HEHGZKQESA-N 1 0 335.404 2.007 20 5 EEBDRO CS[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819112472 785430549 /nfs/dbraw/zinc/43/05/49/785430549.db2.gz DXXRMOHAAKYBPF-DGCLKSJQSA-N 1 0 344.458 2.242 20 5 EEBDRO CC1(C)CCC(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000996428855 786395580 /nfs/dbraw/zinc/39/55/80/786395580.db2.gz JFSNQVJPSUJCHC-HZPDHXFCSA-N 1 0 337.464 2.449 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000820716448 786434317 /nfs/dbraw/zinc/43/43/17/786434317.db2.gz XQTXPOHBOLRTGL-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000823088906 787560780 /nfs/dbraw/zinc/56/07/80/787560780.db2.gz OSMBTINFVNGVHC-QWHCGFSZSA-N 1 0 332.360 2.433 20 5 EEBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825472647 788646490 /nfs/dbraw/zinc/64/64/90/788646490.db2.gz SYQDMCHPWVLFHU-QGZVFWFLSA-N 1 0 349.431 2.351 20 5 EEBDRO CCC[NH+]1CCN(c2ccc(CC(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000825517849 788663374 /nfs/dbraw/zinc/66/33/74/788663374.db2.gz AMHZYLHRWBSZGM-UHFFFAOYSA-N 1 0 335.404 2.232 20 5 EEBDRO [NH3+][C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000923352087 789431031 /nfs/dbraw/zinc/43/10/31/789431031.db2.gz VTEWESCCXSJSTA-RCCFBDPRSA-N 1 0 327.384 2.055 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923441394 789567734 /nfs/dbraw/zinc/56/77/34/789567734.db2.gz KEASJWJTWWKJFY-VWYCJHECSA-N 1 0 340.811 2.257 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000845730443 789927191 /nfs/dbraw/zinc/92/71/91/789927191.db2.gz IEWOLLHQTNORKQ-NSHDSACASA-N 1 0 336.344 2.353 20 5 EEBDRO CN(CC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000845766585 789937912 /nfs/dbraw/zinc/93/79/12/789937912.db2.gz GGDGANUBSBNLMO-UHFFFAOYSA-N 1 0 332.404 2.402 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001148518800 792468634 /nfs/dbraw/zinc/46/86/34/792468634.db2.gz JVZHBSURXGXWBN-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC001127234550 792747840 /nfs/dbraw/zinc/74/78/40/792747840.db2.gz BKAIKKBIDMVLKY-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO CCCCCCOCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149032339 792862213 /nfs/dbraw/zinc/86/22/13/792862213.db2.gz NIYXIKCXFATNJK-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000076295362 793580495 /nfs/dbraw/zinc/58/04/95/793580495.db2.gz XDHMHMHFDOOZGY-ZDUSSCGKSA-N 1 0 349.387 2.008 20 5 EEBDRO [NH3+]CCN(c1ncccn1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897934 797127543 /nfs/dbraw/zinc/12/75/43/797127543.db2.gz DXTIMVQFDNWTQU-OAHLLOKOSA-N 1 0 327.388 2.098 20 5 EEBDRO CC(C)(O)CN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912775 797170747 /nfs/dbraw/zinc/17/07/47/797170747.db2.gz MEDXQHJVYNBZPR-KRWDZBQOSA-N 1 0 347.459 2.231 20 5 EEBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190427 797281840 /nfs/dbraw/zinc/28/18/40/797281840.db2.gz XZDKXMQXXUZCJW-GMTAPVOTSA-N 1 0 340.351 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCC2OCCO2)c1F ZINC001173197616 797284385 /nfs/dbraw/zinc/28/43/85/797284385.db2.gz VOQMJXFAKZUABC-LLVKDONJSA-N 1 0 342.367 2.368 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001095201862 797507763 /nfs/dbraw/zinc/50/77/63/797507763.db2.gz DEDKPBORPJZCGC-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO Cc1ccnc(NC2CCN(C(=O)CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001095246503 797558910 /nfs/dbraw/zinc/55/89/10/797558910.db2.gz SJJCMZYJVGUFIK-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823678573 798757357 /nfs/dbraw/zinc/75/73/57/798757357.db2.gz QQODKWZKBYOUIO-COXVUDFISA-N 1 0 349.431 2.207 20 5 EEBDRO CC1CC[NH+](CC(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001110206752 798921196 /nfs/dbraw/zinc/92/11/96/798921196.db2.gz FBLIWRBUSDWLEJ-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)c1ccco1 ZINC001177771362 799109243 /nfs/dbraw/zinc/10/92/43/799109243.db2.gz FZSVLNOCSYYSGF-UHFFFAOYSA-N 1 0 349.391 2.001 20 5 EEBDRO Cc1cccc(OCC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001150880874 800097276 /nfs/dbraw/zinc/09/72/76/800097276.db2.gz LRLQRWMCWPEEFM-UHFFFAOYSA-N 1 0 349.412 2.250 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001086060489 802044049 /nfs/dbraw/zinc/04/40/49/802044049.db2.gz VSSNSBHMBLEBBI-VDISTLRHSA-N 1 0 348.428 2.293 20 5 EEBDRO CN1CCC(CNc2cc([N+](=O)[O-])cc(Cl)n2)([NH+](C)C)CC1 ZINC001156176060 803243715 /nfs/dbraw/zinc/24/37/15/803243715.db2.gz JDSSGPQETUXICE-UHFFFAOYSA-N 1 0 327.816 2.081 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3ncc(F)c4cc([N+](=O)[O-])ccc43)cc2C1 ZINC001168812135 803451157 /nfs/dbraw/zinc/45/11/57/803451157.db2.gz OQHSRRKMYMHCAA-JTQLQIEISA-N 1 0 327.319 2.284 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001168883924 803500445 /nfs/dbraw/zinc/50/04/45/803500445.db2.gz VXCOSEZUNNTNFM-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)C1 ZINC001168998043 803563813 /nfs/dbraw/zinc/56/38/13/803563813.db2.gz HQMDFEONNVEAGC-KBPBESRZSA-N 1 0 335.404 2.174 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037534 803581489 /nfs/dbraw/zinc/58/14/89/803581489.db2.gz SBUBPQQEXPUUDO-FQUUOJAGSA-N 1 0 345.415 2.369 20 5 EEBDRO C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042849 803584581 /nfs/dbraw/zinc/58/45/81/803584581.db2.gz GMRGNKWUPAAEHH-GUDVDZBRSA-N 1 0 347.459 2.265 20 5 EEBDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[C@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169020104 803588007 /nfs/dbraw/zinc/58/80/07/803588007.db2.gz IGMXJVXTQYWZJV-AHDPXTMNSA-N 1 0 336.392 2.118 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169020720 803588173 /nfs/dbraw/zinc/58/81/73/803588173.db2.gz MCCFRAUDVFFDSV-FZCLSBEQSA-N 1 0 347.415 2.139 20 5 EEBDRO O=C1CCc2cc(N3CC[NH+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)ccc21 ZINC001169054481 803596942 /nfs/dbraw/zinc/59/69/42/803596942.db2.gz MGMWHCQWVKTVRD-HOCLYGCPSA-N 1 0 343.427 2.383 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055787 803597131 /nfs/dbraw/zinc/59/71/31/803597131.db2.gz QHLIULMCSCAXDW-VYDXJSESSA-N 1 0 331.416 2.278 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@H]1C ZINC000787240931 807064617 /nfs/dbraw/zinc/06/46/17/807064617.db2.gz SGJUZERIQMRPNS-LRDDRELGSA-N 1 0 344.371 2.299 20 5 EEBDRO CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790449310 808719130 /nfs/dbraw/zinc/71/91/30/808719130.db2.gz GWPGLWFMPROQOG-NSHDSACASA-N 1 0 347.462 2.055 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170305879 809876650 /nfs/dbraw/zinc/87/66/50/809876650.db2.gz RCXWXDRUIFXMMA-OCCSQVGLSA-N 1 0 335.404 2.133 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000804561891 810931051 /nfs/dbraw/zinc/93/10/51/810931051.db2.gz SZEUQHPDXGHHRC-GFCCVEGCSA-N 1 0 336.348 2.168 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001523605775 1119816724 /nfs/dbraw/zinc/81/67/24/1119816724.db2.gz NVDYBHJTHIQVOT-GDLCADMTSA-N 1 0 335.429 2.462 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420608740 283386718 /nfs/dbraw/zinc/38/67/18/283386718.db2.gz IZPINOGGSHTSQB-SWLSCSKDSA-N 1 0 344.415 2.147 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000298720428 202346677 /nfs/dbraw/zinc/34/66/77/202346677.db2.gz NVPDYMRRQOYHOS-KBPBESRZSA-N 1 0 339.417 2.037 20 5 EEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422936841 240299124 /nfs/dbraw/zinc/29/91/24/240299124.db2.gz MZXYDCRJPGIZGU-AWEZNQCLSA-N 1 0 334.420 2.421 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424040266 240807473 /nfs/dbraw/zinc/80/74/73/240807473.db2.gz LPLSSSZBHXDELO-QGZVFWFLSA-N 1 0 347.415 2.210 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000439271261 242075643 /nfs/dbraw/zinc/07/56/43/242075643.db2.gz JCERPWAIHIKZDB-QGZVFWFLSA-N 1 0 349.387 2.130 20 5 EEBDRO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447589918 242292702 /nfs/dbraw/zinc/29/27/02/242292702.db2.gz ZNCFFNDGRYZOPA-MCIONIFRSA-N 1 0 349.435 2.264 20 5 EEBDRO CCc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000449672596 242596315 /nfs/dbraw/zinc/59/63/15/242596315.db2.gz WTFVQHJJSHRRMZ-WBVHZDCISA-N 1 0 347.415 2.126 20 5 EEBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000449645702 242582916 /nfs/dbraw/zinc/58/29/16/242582916.db2.gz LIULNSNIJCSNJI-GXTWGEPZSA-N 1 0 347.346 2.450 20 5 EEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451418088 243106496 /nfs/dbraw/zinc/10/64/96/243106496.db2.gz LZLCBGJBUBTRQF-JGGQBBKZSA-N 1 0 333.388 2.159 20 5 EEBDRO C[C@H]1CN(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542803 243151818 /nfs/dbraw/zinc/15/18/18/243151818.db2.gz AFZWQBIWXHZHRK-DOTOQJQBSA-N 1 0 333.432 2.495 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451695731 243209451 /nfs/dbraw/zinc/20/94/51/243209451.db2.gz NYZVCPLKOMFQDF-IJEWVQPXSA-N 1 0 347.415 2.325 20 5 EEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000261789332 244682598 /nfs/dbraw/zinc/68/25/98/244682598.db2.gz LUSNOUDOXJAGJM-MFKMUULPSA-N 1 0 325.796 2.377 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079623896 203447885 /nfs/dbraw/zinc/44/78/85/203447885.db2.gz ULKDWOHBFUKCFX-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000104837334 204123893 /nfs/dbraw/zinc/12/38/93/204123893.db2.gz MPANGRHKGXYEPZ-UHFFFAOYSA-N 1 0 342.399 2.477 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237185271 204437464 /nfs/dbraw/zinc/43/74/64/204437464.db2.gz IEGAKBPAVQUQPB-NEPJUHHUSA-N 1 0 349.387 2.346 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000112919685 204423772 /nfs/dbraw/zinc/42/37/72/204423772.db2.gz ZCZYLQFAGFGVLE-UHFFFAOYSA-N 1 0 333.392 2.323 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131425792 205287036 /nfs/dbraw/zinc/28/70/36/205287036.db2.gz DWEUTSLRWBZWID-KRWDZBQOSA-N 1 0 333.388 2.257 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264132955 246094125 /nfs/dbraw/zinc/09/41/25/246094125.db2.gz ZBTYLTKELHDVSY-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000155643644 206023766 /nfs/dbraw/zinc/02/37/66/206023766.db2.gz LIXRYMHJLSEIGV-OAHLLOKOSA-N 1 0 334.420 2.298 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000491850998 246181563 /nfs/dbraw/zinc/18/15/63/246181563.db2.gz VAVYRFPCYJFDDJ-FNORWQNLSA-N 1 0 333.363 2.444 20 5 EEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000264295577 246310196 /nfs/dbraw/zinc/31/01/96/246310196.db2.gz KYTWLNUWPFJUJX-UHFFFAOYSA-N 1 0 346.387 2.183 20 5 EEBDRO COC(=O)[C@@H]1CC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265020854 247141076 /nfs/dbraw/zinc/14/10/76/247141076.db2.gz HBQMUCUPPIMUFI-ZDUSSCGKSA-N 1 0 334.372 2.249 20 5 EEBDRO CCc1cc(NC[C@@](C)([NH3+])COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265055976 247166145 /nfs/dbraw/zinc/16/61/45/247166145.db2.gz RBEZIRGRHLPBIE-QGZVFWFLSA-N 1 0 345.403 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000265150997 247251755 /nfs/dbraw/zinc/25/17/55/247251755.db2.gz STFMGVXFKOZBBP-ZBFHGGJFSA-N 1 0 349.387 2.185 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000265781503 247789305 /nfs/dbraw/zinc/78/93/05/247789305.db2.gz KDAOBDOFOLRHJU-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000177100578 207292575 /nfs/dbraw/zinc/29/25/75/207292575.db2.gz PAOCTTCGMVYGCF-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000178822507 207538739 /nfs/dbraw/zinc/53/87/39/207538739.db2.gz UYSNVLRRDBSQFN-NSHDSACASA-N 1 0 332.404 2.369 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000368949935 285111284 /nfs/dbraw/zinc/11/12/84/285111284.db2.gz KQZULESQIXGHDX-MSOLQXFVSA-N 1 0 333.432 2.370 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CCC[NH2+]1 ZINC000097349184 219013762 /nfs/dbraw/zinc/01/37/62/219013762.db2.gz KLRBJDLOWQKVRK-SECBINFHSA-N 1 0 347.156 2.363 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000267522234 256065965 /nfs/dbraw/zinc/06/59/65/256065965.db2.gz GQPDXWCQJSOUML-KGLIPLIRSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1C1CC1 ZINC000267991557 256103285 /nfs/dbraw/zinc/10/32/85/256103285.db2.gz QDSILANTCNOITP-GHMZBOCLSA-N 1 0 328.372 2.431 20 5 EEBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270827694 256176593 /nfs/dbraw/zinc/17/65/93/256176593.db2.gz SITPSIPFTLNVJD-UHFFFAOYSA-N 1 0 344.375 2.076 20 5 EEBDRO C[NH+](C)CC(C)(C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271329862 256234211 /nfs/dbraw/zinc/23/42/11/256234211.db2.gz VQEGTVPXGIMVOD-UHFFFAOYSA-N 1 0 335.451 2.060 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000273327159 256287328 /nfs/dbraw/zinc/28/73/28/256287328.db2.gz YGNLXGSLVYEMNV-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO[C@H]1C1CC1 ZINC000273071102 256262521 /nfs/dbraw/zinc/26/25/21/256262521.db2.gz OJLDAUVQKXUVNN-ROUUACIJSA-N 1 0 345.399 2.031 20 5 EEBDRO CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273506721 256302214 /nfs/dbraw/zinc/30/22/14/256302214.db2.gz NATCHHOQLFWUOE-JKSUJKDBSA-N 1 0 349.456 2.176 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274014981 256345953 /nfs/dbraw/zinc/34/59/53/256345953.db2.gz MBVKOZHEGLBEOZ-UTUOFQBUSA-N 1 0 337.376 2.099 20 5 EEBDRO COc1cc(C(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000190867481 533531832 /nfs/dbraw/zinc/53/18/32/533531832.db2.gz JRDJJDPSGANCSC-UHFFFAOYSA-N 1 0 335.404 2.374 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347925052 143657294 /nfs/dbraw/zinc/65/72/94/143657294.db2.gz GQTYGKOFDRUGSZ-UHFFFAOYSA-N 1 0 325.384 2.467 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165882467 143820950 /nfs/dbraw/zinc/82/09/50/143820950.db2.gz MYXHXVODEPZNJI-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262581028 152294429 /nfs/dbraw/zinc/29/44/29/152294429.db2.gz JJOPXDSDLFTHJW-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO COc1ccc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090511293 286354039 /nfs/dbraw/zinc/35/40/39/286354039.db2.gz OIYWFYOVRZPNPA-CYBMUJFWSA-N 1 0 331.372 2.458 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389123 154174951 /nfs/dbraw/zinc/17/49/51/154174951.db2.gz FULRDBAIAFUYAK-PBHICJAKSA-N 1 0 349.387 2.089 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129253562 292354956 /nfs/dbraw/zinc/35/49/56/292354956.db2.gz KVPAIAJRUGJVEE-UHFFFAOYSA-N 1 0 330.388 2.173 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000073995305 159059636 /nfs/dbraw/zinc/05/96/36/159059636.db2.gz LOMYPIFSWYHZQM-UONOGXRCSA-N 1 0 333.388 2.059 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081362922 159151873 /nfs/dbraw/zinc/15/18/73/159151873.db2.gz YCTRDVFVPPLWOM-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246430541 160278739 /nfs/dbraw/zinc/27/87/39/160278739.db2.gz AYTHYULRWZLPCM-BBRMVZONSA-N 1 0 336.388 2.483 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000247308506 160319050 /nfs/dbraw/zinc/31/90/50/160319050.db2.gz LUFRRACMFUMSSS-CXAGYDPISA-N 1 0 333.388 2.343 20 5 EEBDRO CN(C(=O)CN(CC[NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000342397715 161062192 /nfs/dbraw/zinc/06/21/92/161062192.db2.gz FEEXTEOSOVWJOY-UHFFFAOYSA-N 1 0 342.399 2.019 20 5 EEBDRO Cc1nccn1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342858578 161096117 /nfs/dbraw/zinc/09/61/17/161096117.db2.gz AZNBYGVJUGNKOI-AWEZNQCLSA-N 1 0 330.392 2.071 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343542636 161145219 /nfs/dbraw/zinc/14/52/19/161145219.db2.gz YPXWIFXJRPACNT-DOMZBBRYSA-N 1 0 330.388 2.148 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000344068784 161195430 /nfs/dbraw/zinc/19/54/30/161195430.db2.gz KLLSRLLKWOYKPD-BMGDILEWSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000344845200 161250565 /nfs/dbraw/zinc/25/05/65/161250565.db2.gz ZOCVYHHWCCFHOG-KGLIPLIRSA-N 1 0 335.404 2.271 20 5 EEBDRO COc1cc(CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000346094894 161356800 /nfs/dbraw/zinc/35/68/00/161356800.db2.gz OJUWTBVDIHZGAA-JTQLQIEISA-N 1 0 331.319 2.128 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000352488066 162154061 /nfs/dbraw/zinc/15/40/61/162154061.db2.gz LUSIHUYTQQIIHZ-CABCVRRESA-N 1 0 337.445 2.430 20 5 EEBDRO Cc1nnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000353565311 162611813 /nfs/dbraw/zinc/61/18/13/162611813.db2.gz BELHRBFPAXFWLH-RYUDHWBXSA-N 1 0 336.421 2.267 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819647 164385353 /nfs/dbraw/zinc/38/53/53/164385353.db2.gz SXBZUXSTAAXMIK-BLLLJJGKSA-N 1 0 328.372 2.173 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C4(CC4)C3)o2)c1 ZINC000364317698 165092583 /nfs/dbraw/zinc/09/25/83/165092583.db2.gz OTISFLUMUZPPLM-HNNXBMFYSA-N 1 0 329.356 2.249 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000364478912 165151739 /nfs/dbraw/zinc/15/17/39/165151739.db2.gz OWCHPOWXWMPPFN-KBPBESRZSA-N 1 0 333.388 2.268 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000365179214 165399997 /nfs/dbraw/zinc/39/99/97/165399997.db2.gz ORARNRMXUZGGFH-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000368964670 166159823 /nfs/dbraw/zinc/15/98/23/166159823.db2.gz PTTXVNILYBRVTC-MSOLQXFVSA-N 1 0 349.431 2.207 20 5 EEBDRO Cc1c(CC(=O)NCc2cnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000375377158 167122658 /nfs/dbraw/zinc/12/26/58/167122658.db2.gz JOPWMJDFRXTQST-UHFFFAOYSA-N 1 0 328.372 2.295 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275764070 269140123 /nfs/dbraw/zinc/14/01/23/269140123.db2.gz PBSJYHHDZWKMHB-JSGCOSHPSA-N 1 0 334.376 2.352 20 5 EEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000277443016 269156843 /nfs/dbraw/zinc/15/68/43/269156843.db2.gz FQBGEDRPLNZUIC-ZDUSSCGKSA-N 1 0 347.371 2.070 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000279318580 269270967 /nfs/dbraw/zinc/27/09/67/269270967.db2.gz FVQDTBGOOGVPCT-LBPRGKRZSA-N 1 0 325.796 2.407 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279317644 269270999 /nfs/dbraw/zinc/27/09/99/269270999.db2.gz OXZPHRWRAWNVIR-VIFPVBQESA-N 1 0 331.775 2.386 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@H+](C)C1CC1 ZINC000279539205 269286486 /nfs/dbraw/zinc/28/64/86/269286486.db2.gz WQXPSWVXJLYADV-JTQLQIEISA-N 1 0 338.383 2.012 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000193447691 274061103 /nfs/dbraw/zinc/06/11/03/274061103.db2.gz RCQRGLCSJWYNDU-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO CO[C@H]1C[C@H](CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000345129589 274084705 /nfs/dbraw/zinc/08/47/05/274084705.db2.gz GRTBXYAJKIRVIV-NEPJUHHUSA-N 1 0 327.812 2.399 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000277576097 274313595 /nfs/dbraw/zinc/31/35/95/274313595.db2.gz LRTOXARKNLAECT-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](C4CCC4)CC3)cc2N1 ZINC000265021383 275018409 /nfs/dbraw/zinc/01/84/09/275018409.db2.gz YLWRMYBUWUIFTF-UHFFFAOYSA-N 1 0 330.388 2.154 20 5 EEBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245757705 275030529 /nfs/dbraw/zinc/03/05/29/275030529.db2.gz FPVYDASFGWSRKT-HZMVEIRTSA-N 1 0 345.399 2.247 20 5 EEBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000311094640 275041192 /nfs/dbraw/zinc/04/11/92/275041192.db2.gz ZNKIXGZZHMLBER-CVEARBPZSA-N 1 0 339.399 2.343 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289340238 275110367 /nfs/dbraw/zinc/11/03/67/275110367.db2.gz WVXVVSBWYJFNPA-INIZCTEOSA-N 1 0 335.429 2.289 20 5 EEBDRO CC[NH+](CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290503911 275213299 /nfs/dbraw/zinc/21/32/99/275213299.db2.gz DPTRZJLGVJFQND-LBPRGKRZSA-N 1 0 347.375 2.177 20 5 EEBDRO C[C@H]1CCC[C@](CNc2nccc(C(N)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000290721766 275233224 /nfs/dbraw/zinc/23/32/24/275233224.db2.gz ZAMLJEDCCWETIU-ZBEGNZNMSA-N 1 0 335.408 2.011 20 5 EEBDRO COCCCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000291151550 275275984 /nfs/dbraw/zinc/27/59/84/275275984.db2.gz JQKRVOWLHFPTPK-UHFFFAOYSA-N 1 0 341.433 2.229 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291389491 275300672 /nfs/dbraw/zinc/30/06/72/275300672.db2.gz BHSUPMXHYATXTE-CYBMUJFWSA-N 1 0 347.350 2.206 20 5 EEBDRO CCOc1cc(CN2CCC(F)(F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000291866526 275347919 /nfs/dbraw/zinc/34/79/19/275347919.db2.gz POJWYFZUEAXZNY-GFCCVEGCSA-N 1 0 330.331 2.443 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000292049180 275367836 /nfs/dbraw/zinc/36/78/36/275367836.db2.gz IYJNBCFTUCLAKV-JTQLQIEISA-N 1 0 332.360 2.096 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000362392833 276890993 /nfs/dbraw/zinc/89/09/93/276890993.db2.gz UHUDYJHXVVFECT-UHFFFAOYSA-N 1 0 348.359 2.203 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000488713371 277161210 /nfs/dbraw/zinc/16/12/10/277161210.db2.gz COWWWWXOJLQSAS-MRXNPFEDSA-N 1 0 329.360 2.177 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000362073489 279247115 /nfs/dbraw/zinc/24/71/15/279247115.db2.gz XBGFILVXYLJPNG-WCBZVUCDSA-N 1 0 341.433 2.011 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189478382 280159099 /nfs/dbraw/zinc/15/90/99/280159099.db2.gz FQIJYOWGFUSRKE-INIZCTEOSA-N 1 0 349.431 2.002 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]([NH3+])[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000165835070 280198433 /nfs/dbraw/zinc/19/84/33/280198433.db2.gz ZOVAZXOQBHTYEO-APPZFPTMSA-N 1 0 329.198 2.234 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374811915 289904677 /nfs/dbraw/zinc/90/46/77/289904677.db2.gz POXNNYIGGKYEQJ-UHFFFAOYSA-N 1 0 336.367 2.017 20 5 EEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000293685158 293270306 /nfs/dbraw/zinc/27/03/06/293270306.db2.gz BIQDVHJKCOZWNH-UHFFFAOYSA-N 1 0 341.433 2.139 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000294008016 293348990 /nfs/dbraw/zinc/34/89/90/293348990.db2.gz URDRCZIPLXKIBA-UHFFFAOYSA-N 1 0 345.403 2.467 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)CCC2 ZINC000297324905 294212143 /nfs/dbraw/zinc/21/21/43/294212143.db2.gz NOFULKAGLIRQPN-QAPCUYQASA-N 1 0 333.432 2.409 20 5 EEBDRO COc1cccc(C(=O)NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194126330 295287869 /nfs/dbraw/zinc/28/78/69/295287869.db2.gz PWMJQGALIUSLAL-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000237561528 297233200 /nfs/dbraw/zinc/23/32/00/297233200.db2.gz POBXTFNSDPRWEZ-CHWSQXEVSA-N 1 0 334.420 2.156 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332381765 311998511 /nfs/dbraw/zinc/99/85/11/311998511.db2.gz HGKMCGJISDSAFY-SJORKVTESA-N 1 0 347.415 2.262 20 5 EEBDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000414185245 312979584 /nfs/dbraw/zinc/97/95/84/312979584.db2.gz OIAOHLMXMKXRHO-XZJROXQQSA-N 1 0 333.388 2.103 20 5 EEBDRO CC(C)(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000414518543 313036350 /nfs/dbraw/zinc/03/63/50/313036350.db2.gz VDDANKLQCNWBGO-SOFGYWHQSA-N 1 0 326.418 2.411 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414659786 313058517 /nfs/dbraw/zinc/05/85/17/313058517.db2.gz TYEGBJNXCDNVOS-WCFLWFBJSA-N 1 0 334.376 2.195 20 5 EEBDRO COc1cc(CNC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414840707 313100278 /nfs/dbraw/zinc/10/02/78/313100278.db2.gz HBOJMRGENPDPIJ-NSHDSACASA-N 1 0 345.346 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415572471 313146633 /nfs/dbraw/zinc/14/66/33/313146633.db2.gz BHBZAMFZRIAICC-AAEUAGOBSA-N 1 0 336.392 2.446 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000417716232 313575317 /nfs/dbraw/zinc/57/53/17/313575317.db2.gz LDANPHOXZWWPPQ-ZIAGYGMSSA-N 1 0 349.435 2.145 20 5 EEBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419819610 313934246 /nfs/dbraw/zinc/93/42/46/313934246.db2.gz MGBOCLHRZZUKOL-JKSUJKDBSA-N 1 0 334.372 2.466 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025298 314029177 /nfs/dbraw/zinc/02/91/77/314029177.db2.gz YJHSHZXMXRFSTP-KBPBESRZSA-N 1 0 335.404 2.406 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000421703684 314144866 /nfs/dbraw/zinc/14/48/66/314144866.db2.gz MTKZJEZXJDWJTJ-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000421780043 314163254 /nfs/dbraw/zinc/16/32/54/314163254.db2.gz QGPWWRWGKSGSEI-MRXNPFEDSA-N 1 0 337.445 2.379 20 5 EEBDRO COc1cc(CN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000435380461 314898982 /nfs/dbraw/zinc/89/89/82/314898982.db2.gz RPHZJJDRNJAEAC-VIFPVBQESA-N 1 0 333.335 2.026 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000516397312 316556749 /nfs/dbraw/zinc/55/67/49/316556749.db2.gz PSQXJNLGOMFMAP-KBPBESRZSA-N 1 0 336.436 2.421 20 5 EEBDRO C[C@@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521995047 316944657 /nfs/dbraw/zinc/94/46/57/316944657.db2.gz CVTBWKJTZYPGOJ-CHWSQXEVSA-N 1 0 326.418 2.394 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524879225 317033074 /nfs/dbraw/zinc/03/30/74/317033074.db2.gz HHECXOVEYORPNU-UKRRQHHQSA-N 1 0 349.431 2.477 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000542910178 318147107 /nfs/dbraw/zinc/14/71/07/318147107.db2.gz PPRSPXOQKZFXBE-MRXNPFEDSA-N 1 0 335.404 2.373 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000543612069 318163697 /nfs/dbraw/zinc/16/36/97/318163697.db2.gz UORNMZFEERCLQT-UHFFFAOYSA-N 1 0 348.403 2.164 20 5 EEBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417290 318187344 /nfs/dbraw/zinc/18/73/44/318187344.db2.gz SCBSHYVVKBQTJU-SMDDNHRTSA-N 1 0 339.392 2.191 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000563262441 318990186 /nfs/dbraw/zinc/99/01/86/318990186.db2.gz ZRPGJNVRMJSMIO-LBPRGKRZSA-N 1 0 333.388 2.094 20 5 EEBDRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563898944 319054156 /nfs/dbraw/zinc/05/41/56/319054156.db2.gz UCNJTSZUXDDJSA-CQSZACIVSA-N 1 0 326.418 2.387 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1[N+](=O)[O-] ZINC000564655399 319098643 /nfs/dbraw/zinc/09/86/43/319098643.db2.gz IKBMVVLEJQNHNC-ZBFHGGJFSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792211 319110372 /nfs/dbraw/zinc/11/03/72/319110372.db2.gz CXWZZDMRXHCJFA-WPKBUWHJSA-N 1 0 344.367 2.446 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1C ZINC000565481848 319186801 /nfs/dbraw/zinc/18/68/01/319186801.db2.gz IAURUDRTXOBHCN-ZIAGYGMSSA-N 1 0 346.431 2.020 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCC2(F)F)cc1 ZINC000566119822 319247715 /nfs/dbraw/zinc/24/77/15/319247715.db2.gz FINLQHMGPDQJNJ-LLVKDONJSA-N 1 0 348.371 2.394 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)c1 ZINC000568872999 319526495 /nfs/dbraw/zinc/52/64/95/319526495.db2.gz GTNNZVVATXYYEV-SFHVURJKSA-N 1 0 340.383 2.138 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000573843873 319971694 /nfs/dbraw/zinc/97/16/94/319971694.db2.gz CMBNNXRAUICXKB-STQMWFEESA-N 1 0 339.417 2.015 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000574308706 320014540 /nfs/dbraw/zinc/01/45/40/320014540.db2.gz ORIDDTLNVAEAPD-KRWDZBQOSA-N 1 0 345.399 2.061 20 5 EEBDRO O=C(CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576908161 320214357 /nfs/dbraw/zinc/21/43/57/320214357.db2.gz NTWMEURNPWCXHE-MRXNPFEDSA-N 1 0 345.399 2.254 20 5 EEBDRO COc1ccc(C[NH2+]CCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000578107585 320294337 /nfs/dbraw/zinc/29/43/37/320294337.db2.gz PUJWDOUUCULQCF-UHFFFAOYSA-N 1 0 330.344 2.117 20 5 EEBDRO COCC1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581127340 324190800 /nfs/dbraw/zinc/19/08/00/324190800.db2.gz OTIRLNWQSMCDFH-XUJLQICISA-N 1 0 338.404 2.129 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000583152629 324605794 /nfs/dbraw/zinc/60/57/94/324605794.db2.gz ZCBLTYIGLCSFOH-HNNXBMFYSA-N 1 0 348.403 2.313 20 5 EEBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000234234633 464210508 /nfs/dbraw/zinc/21/05/08/464210508.db2.gz OIURGHLCQAWWML-CYBMUJFWSA-N 1 0 346.225 2.390 20 5 EEBDRO Cc1c(CNC(=O)c2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000326212190 465036190 /nfs/dbraw/zinc/03/61/90/465036190.db2.gz PVDZMMATNJISMB-UHFFFAOYSA-N 1 0 325.368 2.479 20 5 EEBDRO C[NH+](C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000295983530 465041357 /nfs/dbraw/zinc/04/13/57/465041357.db2.gz ONCIMDLOTKLBRP-UHFFFAOYSA-N 1 0 333.388 2.158 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296032830 465057337 /nfs/dbraw/zinc/05/73/37/465057337.db2.gz ZUVRIFKRBFPZEM-BBRMVZONSA-N 1 0 347.415 2.356 20 5 EEBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036340 465059038 /nfs/dbraw/zinc/05/90/38/465059038.db2.gz FBIFNVCIUXELDF-YOEHRIQHSA-N 1 0 335.404 2.351 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000341291267 465095076 /nfs/dbraw/zinc/09/50/76/465095076.db2.gz VIQCGJVRJBFVAQ-VNHYZAJKSA-N 1 0 334.420 2.384 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160521 465098607 /nfs/dbraw/zinc/09/86/07/465098607.db2.gz KMISOORIISVWRA-JKSUJKDBSA-N 1 0 347.415 2.495 20 5 EEBDRO CCn1cc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296161985 465100205 /nfs/dbraw/zinc/10/02/05/465100205.db2.gz SUOWHRKGKPFZDR-LBPRGKRZSA-N 1 0 331.376 2.125 20 5 EEBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351493423 465184264 /nfs/dbraw/zinc/18/42/64/465184264.db2.gz OERDOWFNYOMFHX-CHWSQXEVSA-N 1 0 337.424 2.027 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339432435 465269922 /nfs/dbraw/zinc/26/99/22/465269922.db2.gz PDJCIAJNQOPGPY-SFHVURJKSA-N 1 0 346.431 2.259 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000114063311 462624891 /nfs/dbraw/zinc/62/48/91/462624891.db2.gz NHLSEIVVVUQRSE-QWRGUYRKSA-N 1 0 348.359 2.447 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114218078 462633265 /nfs/dbraw/zinc/63/32/65/462633265.db2.gz JHLSZECJDCYSBN-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+](C)C ZINC000114377928 462641729 /nfs/dbraw/zinc/64/17/29/462641729.db2.gz ASIZXQDHOVPIEX-CQSZACIVSA-N 1 0 338.364 2.209 20 5 EEBDRO Cc1ccnc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089643923 462702918 /nfs/dbraw/zinc/70/29/18/462702918.db2.gz LMSLVWAGJLSRCI-JKSUJKDBSA-N 1 0 342.399 2.346 20 5 EEBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000154013501 462720152 /nfs/dbraw/zinc/72/01/52/462720152.db2.gz RQKFDYDTVCSBHK-HOTGVXAUSA-N 1 0 347.415 2.473 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000090008425 462763537 /nfs/dbraw/zinc/76/35/37/462763537.db2.gz HXPYWFCQNVDOGS-INIZCTEOSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268840 462833255 /nfs/dbraw/zinc/83/32/55/462833255.db2.gz VLRAQTLTJMTWPU-YPMHNXCESA-N 1 0 328.376 2.214 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065892024 462837129 /nfs/dbraw/zinc/83/71/29/462837129.db2.gz YGLSHOPTMQXIHY-KGLIPLIRSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843535 462857105 /nfs/dbraw/zinc/85/71/05/462857105.db2.gz ZNXPUFAKZUAEHT-ZIAGYGMSSA-N 1 0 334.420 2.195 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000590752313 468326876 /nfs/dbraw/zinc/32/68/76/468326876.db2.gz KXSAHWASXKDACP-KGLIPLIRSA-N 1 0 349.387 2.163 20 5 EEBDRO CCOc1cc(NCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092606990 462964480 /nfs/dbraw/zinc/96/44/80/462964480.db2.gz PONCNEAZGFUSGN-UHFFFAOYSA-N 1 0 336.436 2.433 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC(F)F ZINC000092628228 462967672 /nfs/dbraw/zinc/96/76/72/462967672.db2.gz ZBLPAYQRVRBRSG-NEPJUHHUSA-N 1 0 343.330 2.471 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000156314547 463006195 /nfs/dbraw/zinc/00/61/95/463006195.db2.gz DTPXUXDAAPLCNF-WBMJQRKESA-N 1 0 337.395 2.465 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067635887 463029207 /nfs/dbraw/zinc/02/92/07/463029207.db2.gz UTCRBDYPUXQTNO-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068135023 463097102 /nfs/dbraw/zinc/09/71/02/463097102.db2.gz QOVBVRUHBGXANW-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000052641248 463098318 /nfs/dbraw/zinc/09/83/18/463098318.db2.gz NTEJLXNYRXYMRH-GFCCVEGCSA-N 1 0 332.404 2.383 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000068614019 463160246 /nfs/dbraw/zinc/16/02/46/463160246.db2.gz IKLSUZPIDUUMDN-UHFFFAOYSA-N 1 0 345.403 2.262 20 5 EEBDRO CCCC[N@H+](CCOC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000068854071 463183459 /nfs/dbraw/zinc/18/34/59/463183459.db2.gz FNUFJWJVURILNT-UHFFFAOYSA-N 1 0 335.404 2.232 20 5 EEBDRO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079943945 463263148 /nfs/dbraw/zinc/26/31/48/463263148.db2.gz KQSJUTYOXBMOQG-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159816388 463306405 /nfs/dbraw/zinc/30/64/05/463306405.db2.gz URPVHOZUQYEVKQ-RWMBFGLXSA-N 1 0 335.429 2.428 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[NH+](C)C)CC1 ZINC000080391713 463313472 /nfs/dbraw/zinc/31/34/72/463313472.db2.gz GNUCJPOQUKPIIK-UHFFFAOYSA-N 1 0 348.447 2.465 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139819662 463332372 /nfs/dbraw/zinc/33/23/72/463332372.db2.gz PWTOOYZTJQYGDL-PBHICJAKSA-N 1 0 346.431 2.258 20 5 EEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123476592 463344998 /nfs/dbraw/zinc/34/49/98/463344998.db2.gz MLUUNFKXHXHJSX-UHFFFAOYSA-N 1 0 349.840 2.209 20 5 EEBDRO Cc1sc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000123759936 463366890 /nfs/dbraw/zinc/36/68/90/463366890.db2.gz RFBCLTBSODEMLB-UHFFFAOYSA-N 1 0 347.462 2.117 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000081334697 463421728 /nfs/dbraw/zinc/42/17/28/463421728.db2.gz DLAYALSCKITEDW-LBPRGKRZSA-N 1 0 345.403 2.275 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000072637087 463528617 /nfs/dbraw/zinc/52/86/17/463528617.db2.gz ZWJADRJWEGKQBB-HOTGVXAUSA-N 1 0 332.448 2.368 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000059984942 463647725 /nfs/dbraw/zinc/64/77/25/463647725.db2.gz LPFXOXPSVKNGEH-MRXNPFEDSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000127348819 463697345 /nfs/dbraw/zinc/69/73/45/463697345.db2.gz GCDYKCDHUNIFHK-CRAIPNDOSA-N 1 0 346.475 2.141 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000286811309 463711860 /nfs/dbraw/zinc/71/18/60/463711860.db2.gz UFNGAOVRVJWDNZ-RHSMWYFYSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287074087 463791868 /nfs/dbraw/zinc/79/18/68/463791868.db2.gz HPVFFTANHFOHRA-PBHICJAKSA-N 1 0 346.431 2.406 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000287182056 463826378 /nfs/dbraw/zinc/82/63/78/463826378.db2.gz TYUJLDUJDCNBEP-DZGCQCFKSA-N 1 0 346.431 2.404 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287239344 463844053 /nfs/dbraw/zinc/84/40/53/463844053.db2.gz RBMPQICHAPEGEH-IAQYHMDHSA-N 1 0 343.387 2.170 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269072995 463866950 /nfs/dbraw/zinc/86/69/50/463866950.db2.gz VGTMUOAMYMLNIA-IAGOWNOFSA-N 1 0 347.415 2.093 20 5 EEBDRO CC[C@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc([N+](=O)[O-])c1 ZINC000194820856 463936198 /nfs/dbraw/zinc/93/61/98/463936198.db2.gz INYBROBHCMBKRP-LBPRGKRZSA-N 1 0 334.401 2.434 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269271470 463936409 /nfs/dbraw/zinc/93/64/09/463936409.db2.gz LYUVTLWNZNTICG-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283623111 463947521 /nfs/dbraw/zinc/94/75/21/463947521.db2.gz STHOLZSQMXGNIJ-AWEZNQCLSA-N 1 0 348.447 2.483 20 5 EEBDRO CC1(C)OCc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2O1 ZINC000186397323 463991123 /nfs/dbraw/zinc/99/11/23/463991123.db2.gz JDHVDWLJBILZIR-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000172246343 464027653 /nfs/dbraw/zinc/02/76/53/464027653.db2.gz PFUAZCZRUCVYAG-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000186736030 464061426 /nfs/dbraw/zinc/06/14/26/464061426.db2.gz AFJALNOEVFZPJC-RHSMWYFYSA-N 1 0 349.434 2.269 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235064 464073849 /nfs/dbraw/zinc/07/38/49/464073849.db2.gz JLSONIWPZOABDL-ZWNOBZJWSA-N 1 0 341.795 2.327 20 5 EEBDRO Cc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000179625278 464165356 /nfs/dbraw/zinc/16/53/56/464165356.db2.gz NFRUUAFTZCVYPL-UHFFFAOYSA-N 1 0 333.432 2.447 20 5 EEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188037964 464186247 /nfs/dbraw/zinc/18/62/47/464186247.db2.gz YZHSBIIIBLSJHZ-SMDDNHRTSA-N 1 0 335.404 2.324 20 5 EEBDRO C[C@]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000263784110 464189938 /nfs/dbraw/zinc/18/99/38/464189938.db2.gz ZMDCITKPZJIFPF-GOSISDBHSA-N 1 0 343.383 2.354 20 5 EEBDRO CCC[NH2+]CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236797970 464226937 /nfs/dbraw/zinc/22/69/37/464226937.db2.gz CNTSPMVAPPWEEJ-JTQLQIEISA-N 1 0 329.784 2.131 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000270275930 464242983 /nfs/dbraw/zinc/24/29/83/464242983.db2.gz SMKPQBKQVXNLMR-IAGOWNOFSA-N 1 0 342.399 2.362 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000237036320 464254052 /nfs/dbraw/zinc/25/40/52/464254052.db2.gz PAVONQCVNYHDIB-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237516624 464333120 /nfs/dbraw/zinc/33/31/20/464333120.db2.gz GLKNDVXMJZBEIX-IUCAKERBSA-N 1 0 342.193 2.309 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000281277709 464396958 /nfs/dbraw/zinc/39/69/58/464396958.db2.gz XIWGZZQNEWGULY-AWEZNQCLSA-N 1 0 338.429 2.083 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237950376 464409035 /nfs/dbraw/zinc/40/90/35/464409035.db2.gz FCBTVEYTTOYGAT-OAHLLOKOSA-N 1 0 349.434 2.495 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294381528 464484515 /nfs/dbraw/zinc/48/45/15/464484515.db2.gz KWDFXDPIXYAZCB-UHFFFAOYSA-N 1 0 335.404 2.262 20 5 EEBDRO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245459298 464484897 /nfs/dbraw/zinc/48/48/97/464484897.db2.gz VGKBXWCBHRYUTP-BFHYXJOUSA-N 1 0 349.435 2.169 20 5 EEBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000189441258 464505505 /nfs/dbraw/zinc/50/55/05/464505505.db2.gz KNDGGRPWCUPJCG-CQSZACIVSA-N 1 0 336.436 2.289 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000281632200 464528293 /nfs/dbraw/zinc/52/82/93/464528293.db2.gz QOYRHWWWBXKUFS-LSDHHAIUSA-N 1 0 349.431 2.471 20 5 EEBDRO CC1(C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000175396780 464540871 /nfs/dbraw/zinc/54/08/71/464540871.db2.gz CAERRBIDHZIMLZ-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013723 464586415 /nfs/dbraw/zinc/58/64/15/464586415.db2.gz ORFOBWPFFFMVPS-DOTOQJQBSA-N 1 0 338.404 2.129 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499957 464634647 /nfs/dbraw/zinc/63/46/47/464634647.db2.gz GREISIWGNBMNAH-SJORKVTESA-N 1 0 343.431 2.492 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182378904 464639697 /nfs/dbraw/zinc/63/96/97/464639697.db2.gz HYIZACCFJULTTA-LBPRGKRZSA-N 1 0 349.387 2.031 20 5 EEBDRO COc1cc(C[N@H+](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000182412079 464648820 /nfs/dbraw/zinc/64/88/20/464648820.db2.gz MTRSRVALXRYFCW-UHFFFAOYSA-N 1 0 348.346 2.450 20 5 EEBDRO CC(C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000272550919 464656333 /nfs/dbraw/zinc/65/63/33/464656333.db2.gz WNVMGYXPXICBLX-CQSZACIVSA-N 1 0 327.812 2.493 20 5 EEBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)c1 ZINC000182679363 464708601 /nfs/dbraw/zinc/70/86/01/464708601.db2.gz OJYMJGGIGCTQQF-RTBURBONSA-N 1 0 339.395 2.375 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295183573 464736318 /nfs/dbraw/zinc/73/63/18/464736318.db2.gz WEPFVWCVSONJIL-AWEZNQCLSA-N 1 0 327.812 2.185 20 5 EEBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000176608180 464810367 /nfs/dbraw/zinc/81/03/67/464810367.db2.gz IIGSBEUQCOLOLF-ZDUSSCGKSA-N 1 0 342.399 2.427 20 5 EEBDRO COc1cccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000248861443 464812635 /nfs/dbraw/zinc/81/26/35/464812635.db2.gz METACXBSIOXKGM-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000295416677 464824491 /nfs/dbraw/zinc/82/44/91/464824491.db2.gz UUJTYPYMOGCDNJ-SECBINFHSA-N 1 0 344.209 2.285 20 5 EEBDRO CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000286166588 464826151 /nfs/dbraw/zinc/82/61/51/464826151.db2.gz WOJPOEHJMGODSB-SIMDFCGZSA-N 1 0 326.418 2.205 20 5 EEBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249096723 464840148 /nfs/dbraw/zinc/84/01/48/464840148.db2.gz MFOPWDUKBQUTJO-AVGNSLFASA-N 1 0 334.420 2.154 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C)C1 ZINC000286402087 464904162 /nfs/dbraw/zinc/90/41/62/464904162.db2.gz PQHAJWMYYFSQRZ-AWEZNQCLSA-N 1 0 346.431 2.361 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000286592965 464972243 /nfs/dbraw/zinc/97/22/43/464972243.db2.gz XDNQPFSFYNCZKH-UHFFFAOYSA-N 1 0 345.403 2.413 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286649648 464990570 /nfs/dbraw/zinc/99/05/70/464990570.db2.gz WUSHDZQVEMJXTJ-HIFRSBDPSA-N 1 0 332.404 2.363 20 5 EEBDRO CC(C)[NH+](CCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000356352431 465331843 /nfs/dbraw/zinc/33/18/43/465331843.db2.gz TYMKPKDWVWKEIX-UHFFFAOYSA-N 1 0 336.436 2.244 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000356409272 465366643 /nfs/dbraw/zinc/36/66/43/465366643.db2.gz UYWHAPDIONQJNU-TZMCWYRMSA-N 1 0 349.435 2.353 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCCC[C@@H]1C ZINC000351891654 465421402 /nfs/dbraw/zinc/42/14/02/465421402.db2.gz YHXUCSXJSCSBHT-NWDGAFQWSA-N 1 0 349.387 2.316 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298605270 465447973 /nfs/dbraw/zinc/44/79/73/465447973.db2.gz HUZZJORQVMZIGO-UHFFFAOYSA-N 1 0 335.360 2.039 20 5 EEBDRO [NH3+][C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000591275507 468435445 /nfs/dbraw/zinc/43/54/45/468435445.db2.gz NPYRKLLHKMLFLA-AWEZNQCLSA-N 1 0 329.356 2.156 20 5 EEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361860 465519093 /nfs/dbraw/zinc/51/90/93/465519093.db2.gz SOWYZVLSPOZLNY-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360234124 465546358 /nfs/dbraw/zinc/54/63/58/465546358.db2.gz LVKMUIVERJKYTE-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[NH+](C)C ZINC000360631998 465586471 /nfs/dbraw/zinc/58/64/71/465586471.db2.gz GXQQANPIPNWYHS-ZDUSSCGKSA-N 1 0 330.388 2.931 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000299223653 465654096 /nfs/dbraw/zinc/65/40/96/465654096.db2.gz ONUXGASVHANPGU-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294264 465694195 /nfs/dbraw/zinc/69/41/95/465694195.db2.gz JQQPCTJKFWKONU-YXJHDRRASA-N 1 0 349.431 2.287 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C)c1cnn(C)c1 ZINC000348845552 465834307 /nfs/dbraw/zinc/83/43/07/465834307.db2.gz ZRDXSEGULQVJIE-LBPRGKRZSA-N 1 0 331.376 2.268 20 5 EEBDRO C[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600109313 468461418 /nfs/dbraw/zinc/46/14/18/468461418.db2.gz YVLBURGEHSXHCM-CQSZACIVSA-N 1 0 347.415 2.022 20 5 EEBDRO C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504602 465939024 /nfs/dbraw/zinc/93/90/24/465939024.db2.gz SHQGYPQSRSVWMR-CXAGYDPISA-N 1 0 343.431 2.490 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000366801658 465943697 /nfs/dbraw/zinc/94/36/97/465943697.db2.gz FBXKSIDSAXDEDN-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357344940 465966724 /nfs/dbraw/zinc/96/67/24/465966724.db2.gz MUTVZWNJZFVPBE-ZDUSSCGKSA-N 1 0 343.387 2.124 20 5 EEBDRO Cc1c(Br)cc(C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346180102 465969349 /nfs/dbraw/zinc/96/93/49/465969349.db2.gz LSTVNXBILSRNCK-MRVPVSSYSA-N 1 0 344.209 2.346 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301509148 465975287 /nfs/dbraw/zinc/97/52/87/465975287.db2.gz CNARTOKGYIYTAB-LLVKDONJSA-N 1 0 331.376 2.022 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000346210241 465993581 /nfs/dbraw/zinc/99/35/81/465993581.db2.gz ADNWESBOORMQCV-PHIMTYICSA-N 1 0 335.360 2.193 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209463 465993809 /nfs/dbraw/zinc/99/38/09/465993809.db2.gz XSJJYTNSIDSMSW-ZQIUZPCESA-N 1 0 346.431 2.195 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357384489 465994350 /nfs/dbraw/zinc/99/43/50/465994350.db2.gz FGJVGVGVRBKZGJ-ZFWWWQNUSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346229316 466010262 /nfs/dbraw/zinc/01/02/62/466010262.db2.gz LUSUMMVUSKATDC-HWWQOWPSSA-N 1 0 332.404 2.101 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000331371062 466053567 /nfs/dbraw/zinc/05/35/67/466053567.db2.gz DNLLKHPJYNMCMS-UWVGGRQHSA-N 1 0 339.342 2.157 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000353784305 466144706 /nfs/dbraw/zinc/14/47/06/466144706.db2.gz YJUDJBJLDQPUHA-UHFFFAOYSA-N 1 0 336.266 2.189 20 5 EEBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@]1(CO)CCOC1 ZINC000600178564 468485875 /nfs/dbraw/zinc/48/58/75/468485875.db2.gz LBVMLTHOWVLLSW-KRWDZBQOSA-N 1 0 332.356 2.438 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000305202071 466377608 /nfs/dbraw/zinc/37/76/08/466377608.db2.gz BBKYQSUELJWHLK-KBPBESRZSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354420031 466555221 /nfs/dbraw/zinc/55/52/21/466555221.db2.gz DHCULPOVDQQXIY-ZIAGYGMSSA-N 1 0 335.404 2.305 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347400782 466611829 /nfs/dbraw/zinc/61/18/29/466611829.db2.gz BNTKCGYPFYALJJ-ZDUSSCGKSA-N 1 0 329.404 2.928 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000322380665 466631710 /nfs/dbraw/zinc/63/17/10/466631710.db2.gz NBHBKRJTTCSQSE-ZJUUUORDSA-N 1 0 325.315 2.230 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1C ZINC000325221474 466655525 /nfs/dbraw/zinc/65/55/25/466655525.db2.gz OYMHVPPAYKAEAW-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391514 466736716 /nfs/dbraw/zinc/73/67/16/466736716.db2.gz WXLASEPIQAYCGG-XNRPHZJLSA-N 1 0 329.404 2.148 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000365192134 466740443 /nfs/dbraw/zinc/74/04/43/466740443.db2.gz VIJOSQPDDXFBDB-FSBGKCOPSA-N 1 0 349.387 2.088 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423563860 466775008 /nfs/dbraw/zinc/77/50/08/466775008.db2.gz XKNROWATCBKSLD-GXSJLCMTSA-N 1 0 343.836 2.455 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOCC23CCC3)c([N+](=O)[O-])c1 ZINC000411404352 466821401 /nfs/dbraw/zinc/82/14/01/466821401.db2.gz YJLHHZQKLVULAC-UHFFFAOYSA-N 1 0 349.387 2.187 20 5 EEBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000411662160 466869619 /nfs/dbraw/zinc/86/96/19/466869619.db2.gz FHEQNFLHAAMYKA-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411723429 466888000 /nfs/dbraw/zinc/88/80/00/466888000.db2.gz BXQOYBKOQYCJOQ-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417714287 466915181 /nfs/dbraw/zinc/91/51/81/466915181.db2.gz IEBUCHUIACEQKW-UONOGXRCSA-N 1 0 349.435 2.084 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000423937046 466920694 /nfs/dbraw/zinc/92/06/94/466920694.db2.gz DSYWGRGFOKMMBY-CQSZACIVSA-N 1 0 328.372 2.390 20 5 EEBDRO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365818716 466949683 /nfs/dbraw/zinc/94/96/83/466949683.db2.gz GOSCKXHEWBMUNO-OLZOCXBDSA-N 1 0 337.424 2.122 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1c1ccc(F)cc1 ZINC000424043480 466961969 /nfs/dbraw/zinc/96/19/69/466961969.db2.gz MVBZYPBOGSIOTQ-QWHCGFSZSA-N 1 0 333.319 2.284 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412242362 467048595 /nfs/dbraw/zinc/04/85/95/467048595.db2.gz DCVORKRDGPLQKB-LLLHUVSDSA-N 1 0 329.400 2.251 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413182574 467185798 /nfs/dbraw/zinc/18/57/98/467185798.db2.gz KULQTUKMVTXDMU-ZDUSSCGKSA-N 1 0 326.372 2.066 20 5 EEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000431968392 467206363 /nfs/dbraw/zinc/20/63/63/467206363.db2.gz AIHNUTBWTWHRIZ-DLBZAZTESA-N 1 0 330.388 2.299 20 5 EEBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000451092754 467245751 /nfs/dbraw/zinc/24/57/51/467245751.db2.gz XTZRJAIQIWKOQS-CQSZACIVSA-N 1 0 346.431 2.340 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429229212 467314383 /nfs/dbraw/zinc/31/43/83/467314383.db2.gz SVXJBTVBQWYGCV-UONOGXRCSA-N 1 0 348.447 2.416 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429318399 467324910 /nfs/dbraw/zinc/32/49/10/467324910.db2.gz RFSJDFDBGZJNNX-CYBMUJFWSA-N 1 0 341.367 2.304 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C[NH3+])C1 ZINC000420344743 467370782 /nfs/dbraw/zinc/37/07/82/467370782.db2.gz UPFVDRWLDDXCNQ-RISCZKNCSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000430228213 467409572 /nfs/dbraw/zinc/40/95/72/467409572.db2.gz RNARUGXHPANUPG-ZDUSSCGKSA-N 1 0 331.376 2.410 20 5 EEBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000391613899 467421293 /nfs/dbraw/zinc/42/12/93/467421293.db2.gz JTRZXOBSJYHILH-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430569686 467441364 /nfs/dbraw/zinc/44/13/64/467441364.db2.gz ALKSKDVMXJXDAV-CZUORRHYSA-N 1 0 334.420 2.291 20 5 EEBDRO COc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373560 467483415 /nfs/dbraw/zinc/48/34/15/467483415.db2.gz SKQLXFJSUKUWDP-TZMCWYRMSA-N 1 0 331.376 2.468 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000431503044 467520680 /nfs/dbraw/zinc/52/06/80/467520680.db2.gz USOZPTVIHPEOMN-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NCC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000444877132 467583708 /nfs/dbraw/zinc/58/37/08/467583708.db2.gz OJTISOYZZYAISQ-UHFFFAOYSA-N 1 0 343.387 2.931 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000449354753 467632916 /nfs/dbraw/zinc/63/29/16/467632916.db2.gz RAADHARXLKKGIE-UHFFFAOYSA-N 1 0 332.303 2.282 20 5 EEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449443592 467645853 /nfs/dbraw/zinc/64/58/53/467645853.db2.gz UBJSGOJCRQZECJ-ZDUSSCGKSA-N 1 0 343.449 2.136 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449690705 467690911 /nfs/dbraw/zinc/69/09/11/467690911.db2.gz QZGCIEKAIRRFKY-LSDHHAIUSA-N 1 0 347.415 2.455 20 5 EEBDRO CNc1nc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000455698068 467695871 /nfs/dbraw/zinc/69/58/71/467695871.db2.gz JPVFCPJYTFJKJQ-ZDUSSCGKSA-N 1 0 337.424 2.128 20 5 EEBDRO Cn1cc(C[NH2+]C[C@H](O)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449739324 467703546 /nfs/dbraw/zinc/70/35/46/467703546.db2.gz KFFGDEJZWIDZMY-INIZCTEOSA-N 1 0 330.388 2.246 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ncccc12 ZINC000450794676 467909033 /nfs/dbraw/zinc/90/90/33/467909033.db2.gz SCUDZITVQSRVET-BETUJISGSA-N 1 0 328.372 2.418 20 5 EEBDRO CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637013 467999249 /nfs/dbraw/zinc/99/92/49/467999249.db2.gz ARIXHBOUNIPANH-NVXWUHKLSA-N 1 0 332.404 2.153 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000515651848 468000690 /nfs/dbraw/zinc/00/06/90/468000690.db2.gz WTYFBBXLFSQXHJ-ZFWWWQNUSA-N 1 0 346.431 2.068 20 5 EEBDRO CO[C@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000487977683 468064281 /nfs/dbraw/zinc/06/42/81/468064281.db2.gz WJQABQQZKNIXAM-HOTGVXAUSA-N 1 0 347.371 2.138 20 5 EEBDRO NC(=O)Cc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000589320694 468143105 /nfs/dbraw/zinc/14/31/05/468143105.db2.gz DYIWLHAACVOSKN-HWKANZROSA-N 1 0 325.368 2.426 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000589608952 468166960 /nfs/dbraw/zinc/16/69/60/468166960.db2.gz WZARMXMYFNIJIV-LBPRGKRZSA-N 1 0 349.435 2.318 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567882729 468230518 /nfs/dbraw/zinc/23/05/18/468230518.db2.gz BKPBRIRXKMNLFI-AWEZNQCLSA-N 1 0 346.431 2.009 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375080 468242548 /nfs/dbraw/zinc/24/25/48/468242548.db2.gz QTOKSWDOCDGVSZ-SFHVURJKSA-N 1 0 347.415 2.284 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199289 468510165 /nfs/dbraw/zinc/51/01/65/468510165.db2.gz JJWUDGSQWXHAPG-HOTGVXAUSA-N 1 0 333.388 2.107 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000594502659 468610431 /nfs/dbraw/zinc/61/04/31/468610431.db2.gz MOCBIXHGWZHIIR-SFHVURJKSA-N 1 0 349.431 2.207 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592289414 468671119 /nfs/dbraw/zinc/67/11/19/468671119.db2.gz MBXFEVXKTPUHJQ-UHFFFAOYSA-N 1 0 334.401 2.448 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000592428848 468697119 /nfs/dbraw/zinc/69/71/19/468697119.db2.gz ZXNGDQRQYKLTND-YVEFUNNKSA-N 1 0 331.372 2.403 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000597925043 468712438 /nfs/dbraw/zinc/71/24/38/468712438.db2.gz MXCYGKVGPMWLMN-CYBMUJFWSA-N 1 0 334.420 2.386 20 5 EEBDRO CN1CC[N@H+](C)C[C@@H]1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000571054491 468733395 /nfs/dbraw/zinc/73/33/95/468733395.db2.gz XJHOWGSCLTZMDI-UONOGXRCSA-N 1 0 346.353 2.034 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000595018559 468743834 /nfs/dbraw/zinc/74/38/34/468743834.db2.gz RVHRMDQGHPCCCM-ZDUSSCGKSA-N 1 0 337.420 2.101 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000595028768 468745858 /nfs/dbraw/zinc/74/58/58/468745858.db2.gz UOOPEZRVTLTPFE-LLVKDONJSA-N 1 0 342.417 2.079 20 5 EEBDRO COc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595222569 468787768 /nfs/dbraw/zinc/78/77/68/468787768.db2.gz NUYIBUPDOKVKIH-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218530 468796377 /nfs/dbraw/zinc/79/63/77/468796377.db2.gz HIPUGQSXUIZYMD-CQSZACIVSA-N 1 0 349.435 2.013 20 5 EEBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595289535 468801686 /nfs/dbraw/zinc/80/16/86/468801686.db2.gz DWIZPRGCIIUZRS-AWEZNQCLSA-N 1 0 335.379 2.472 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000598265480 468811916 /nfs/dbraw/zinc/81/19/16/468811916.db2.gz TXMGLEXPAHZACP-GFCCVEGCSA-N 1 0 349.387 2.174 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595346758 468819057 /nfs/dbraw/zinc/81/90/57/468819057.db2.gz WBKVVARTERRRTR-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NCc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595439445 468853416 /nfs/dbraw/zinc/85/34/16/468853416.db2.gz IAALPZHOKMJJRT-OCCSQVGLSA-N 1 0 340.424 2.118 20 5 EEBDRO COc1cc(C)ccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584405612 468863514 /nfs/dbraw/zinc/86/35/14/468863514.db2.gz QVUALIUTMMBGRO-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598569227 468917887 /nfs/dbraw/zinc/91/78/87/468917887.db2.gz BXDWEQINBSPZPI-OAHLLOKOSA-N 1 0 333.388 2.014 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]1 ZINC000598573877 468919415 /nfs/dbraw/zinc/91/94/15/468919415.db2.gz QOWKGVZVJLIILO-AWEZNQCLSA-N 1 0 328.372 2.213 20 5 EEBDRO COC(=O)c1ccnc(N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000598627540 468937719 /nfs/dbraw/zinc/93/77/19/468937719.db2.gz HKHIGVDQFDNFSA-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO CC1(C)CC[C@H](CO)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646581 468943609 /nfs/dbraw/zinc/94/36/09/468943609.db2.gz HLFXAPZRLUGMFJ-OAHLLOKOSA-N 1 0 335.404 2.406 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598716142 468970662 /nfs/dbraw/zinc/97/06/62/468970662.db2.gz YFPPVCCFFNUVMT-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593459687 468990260 /nfs/dbraw/zinc/99/02/60/468990260.db2.gz UPIJDWHSLPRFKE-HNNXBMFYSA-N 1 0 335.379 2.363 20 5 EEBDRO CCOc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000610515202 468991202 /nfs/dbraw/zinc/99/12/02/468991202.db2.gz BGOSONPUCRNHNE-GOEBONIOSA-N 1 0 335.404 2.029 20 5 EEBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602684915 469010043 /nfs/dbraw/zinc/01/00/43/469010043.db2.gz AMMVHIHGGXVMES-KCJUWKMLSA-N 1 0 331.294 2.357 20 5 EEBDRO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704621 469021974 /nfs/dbraw/zinc/02/19/74/469021974.db2.gz BKOTWSYVHUAWCN-HNNXBMFYSA-N 1 0 347.463 2.421 20 5 EEBDRO C[NH+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598956390 469065516 /nfs/dbraw/zinc/06/55/16/469065516.db2.gz CREDUDQDCDVRMG-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794321 469078580 /nfs/dbraw/zinc/07/85/80/469078580.db2.gz VIQHTVBGUBCCJP-WBMJQRKESA-N 1 0 346.387 2.240 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)[NH3+])cc1SC ZINC000595945918 469094728 /nfs/dbraw/zinc/09/47/28/469094728.db2.gz QQFFIGHTFIEQRV-UHFFFAOYSA-N 1 0 327.406 2.135 20 5 EEBDRO CCN1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000593689634 469096927 /nfs/dbraw/zinc/09/69/27/469096927.db2.gz PTIWNEICHPTUHK-SNVBAGLBSA-N 1 0 343.330 2.154 20 5 EEBDRO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000593706934 469103474 /nfs/dbraw/zinc/10/34/74/469103474.db2.gz UQXZIZPIAYJSBC-UHFFFAOYSA-N 1 0 342.399 2.356 20 5 EEBDRO COCC[NH+](CCOC)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000588076692 469112819 /nfs/dbraw/zinc/11/28/19/469112819.db2.gz COEGMMZPUXDQTK-UHFFFAOYSA-N 1 0 343.449 2.220 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000588315957 469138500 /nfs/dbraw/zinc/13/85/00/469138500.db2.gz LYDHILUODNNIOP-HNNXBMFYSA-N 1 0 330.388 2.162 20 5 EEBDRO CCn1nccc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596095982 469152879 /nfs/dbraw/zinc/15/28/79/469152879.db2.gz SNRSVTYFXDLXHG-GFCCVEGCSA-N 1 0 331.376 2.318 20 5 EEBDRO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000611147030 469173661 /nfs/dbraw/zinc/17/36/61/469173661.db2.gz KKVYEKQWEBZQFE-ZDUSSCGKSA-N 1 0 334.420 2.167 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000596295544 469235545 /nfs/dbraw/zinc/23/55/45/469235545.db2.gz WSLBJAHLZJLFCA-GFCCVEGCSA-N 1 0 340.811 2.334 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596306785 469239288 /nfs/dbraw/zinc/23/92/88/469239288.db2.gz IAKCAFRXXISYOR-GFCCVEGCSA-N 1 0 329.404 3.070 20 5 EEBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611554189 469277376 /nfs/dbraw/zinc/27/73/76/469277376.db2.gz HRDONQMJVLTIAA-MNOVXSKESA-N 1 0 333.310 2.419 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571297 469304072 /nfs/dbraw/zinc/30/40/72/469304072.db2.gz SZWKIVWHFYEACC-AWEZNQCLSA-N 1 0 346.431 2.488 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596649032 469321210 /nfs/dbraw/zinc/32/12/10/469321210.db2.gz XFTPEPVRGPFXPI-HNNXBMFYSA-N 1 0 329.404 2.279 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)cn1 ZINC000602527428 469350525 /nfs/dbraw/zinc/35/05/25/469350525.db2.gz QNPKUCBVCQPXRJ-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533682 469352143 /nfs/dbraw/zinc/35/21/43/469352143.db2.gz QHMNGPONPMALEG-AWEZNQCLSA-N 1 0 335.452 2.279 20 5 EEBDRO CC1(C)CC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC(C)(C)[NH2+]1 ZINC000609112622 469891176 /nfs/dbraw/zinc/89/11/76/469891176.db2.gz HKYQBTHEEOHBHA-UHFFFAOYSA-N 1 0 338.383 2.355 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157461 469898576 /nfs/dbraw/zinc/89/85/76/469898576.db2.gz RUIBLBADMCYVER-CQSZACIVSA-N 1 0 343.387 2.457 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483862 469931325 /nfs/dbraw/zinc/93/13/25/469931325.db2.gz MKXXRTCFHSOUNS-SFHVURJKSA-N 1 0 343.383 2.339 20 5 EEBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336042 470005094 /nfs/dbraw/zinc/00/50/94/470005094.db2.gz YRJNQHJJTYNZHL-OAHLLOKOSA-N 1 0 348.403 2.119 20 5 EEBDRO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187070553 533973785 /nfs/dbraw/zinc/97/37/85/533973785.db2.gz BGBYWCDGNRFGJT-RYUDHWBXSA-N 1 0 326.418 2.459 20 5 EEBDRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817627 529130290 /nfs/dbraw/zinc/13/02/90/529130290.db2.gz QCLKIATUZHSLPS-HUUCEWRRSA-N 1 0 348.447 2.106 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000727673543 576443404 /nfs/dbraw/zinc/44/34/04/576443404.db2.gz QHPINNLFVLQFHW-ZDUSSCGKSA-N 1 0 335.404 2.137 20 5 EEBDRO CN(CCCN1CC[NH+](C)CC1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731903250 577131949 /nfs/dbraw/zinc/13/19/49/577131949.db2.gz FZNJVUWHWPWTCP-UHFFFAOYSA-N 1 0 349.460 2.278 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000776278163 577456549 /nfs/dbraw/zinc/45/65/49/577456549.db2.gz SIPGFESOFIJMDG-LJQANCHMSA-N 1 0 341.411 2.276 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000765013414 577492864 /nfs/dbraw/zinc/49/28/64/577492864.db2.gz HFECBTCTJVPQEN-KRWDZBQOSA-N 1 0 331.420 2.482 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000766970102 577528176 /nfs/dbraw/zinc/52/81/76/577528176.db2.gz OKSVTIKKAUGMAV-BVGQSLNGSA-N 1 0 330.384 2.382 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768773183 577562123 /nfs/dbraw/zinc/56/21/23/577562123.db2.gz SZXIHOYRWNRAEX-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO O=C1CN(C[N@@H+]2CC[C@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000763332414 577719242 /nfs/dbraw/zinc/71/92/42/577719242.db2.gz LPORZAZVVHJHDI-ZDUSSCGKSA-N 1 0 344.371 2.053 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000754779533 577812825 /nfs/dbraw/zinc/81/28/25/577812825.db2.gz XDKNDNXMNIVEQW-CQSZACIVSA-N 1 0 345.403 2.354 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1COC(C)(C)OC1 ZINC000757706180 577862813 /nfs/dbraw/zinc/86/28/13/577862813.db2.gz VEKBIRSJPSJWSH-LLVKDONJSA-N 1 0 337.376 2.053 20 5 EEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824400847 609605676 /nfs/dbraw/zinc/60/56/76/609605676.db2.gz LNFHXKNGYQCHSC-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO O=C(CC1=CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020551690 675092397 /nfs/dbraw/zinc/09/23/97/675092397.db2.gz DGPYTKCZKVZVGT-WKILWMFISA-N 1 0 345.399 2.068 20 5 EEBDRO CCCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022064186 676629425 /nfs/dbraw/zinc/62/94/25/676629425.db2.gz ZTRHWGWIOVEQLE-YYIAUSFCSA-N 1 0 331.416 2.041 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1=O ZINC000891847327 676862439 /nfs/dbraw/zinc/86/24/39/676862439.db2.gz WZNANINQTRAKBD-HIFRSBDPSA-N 1 0 342.399 2.485 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001022881188 678711035 /nfs/dbraw/zinc/71/10/35/678711035.db2.gz FIPCZEZUOKRNOU-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1cnoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022923770 678799012 /nfs/dbraw/zinc/79/90/12/678799012.db2.gz CXEXZTMGPZMSNT-PHIMTYICSA-N 1 0 336.373 2.003 20 5 EEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000892509658 681316368 /nfs/dbraw/zinc/31/63/68/681316368.db2.gz KCYUUADQPWGEPE-ZDUSSCGKSA-N 1 0 330.340 2.402 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108300844 681654761 /nfs/dbraw/zinc/65/47/61/681654761.db2.gz SAMDDEFPQPMNRL-LBPRGKRZSA-N 1 0 348.359 2.026 20 5 EEBDRO Cc1ncoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983430300 682636844 /nfs/dbraw/zinc/63/68/44/682636844.db2.gz ZNFGYJKNLFCDFH-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894464191 682907978 /nfs/dbraw/zinc/90/79/78/682907978.db2.gz IIPQLKFVIREDKF-CYBMUJFWSA-N 1 0 344.415 2.367 20 5 EEBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000893031452 683598592 /nfs/dbraw/zinc/59/85/92/683598592.db2.gz ZLZCEFAHOIOGCV-LBPRGKRZSA-N 1 0 327.812 2.306 20 5 EEBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000893262231 684364015 /nfs/dbraw/zinc/36/40/15/684364015.db2.gz IVLLLLFXODNLHK-CXAGYDPISA-N 1 0 336.388 2.478 20 5 EEBDRO O[C@@H]1CC[NH2+][C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212074411 1187769813 /nfs/dbraw/zinc/76/98/13/1187769813.db2.gz OXYBKYTVTICCHC-CJNGLKHVSA-N 1 0 333.351 2.228 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC(O)CC1 ZINC000872077442 1198042113 /nfs/dbraw/zinc/04/21/13/1198042113.db2.gz IIMBHDPWERQDCX-GFCCVEGCSA-N 1 0 339.461 2.424 20 5 EEBDRO COC(=O)[C@@]1(C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000872634716 1198294057 /nfs/dbraw/zinc/29/40/57/1198294057.db2.gz ZLQMMNPWBSNIRT-ZBEGNZNMSA-N 1 0 332.360 2.033 20 5 EEBDRO O=C(Cc1ccncc1Cl)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133854092 1199110354 /nfs/dbraw/zinc/11/03/54/1199110354.db2.gz WOLUNCWAVLSYMD-UHFFFAOYSA-N 1 0 348.790 2.092 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ocnc1C(F)F ZINC001133924959 1199174573 /nfs/dbraw/zinc/17/45/73/1199174573.db2.gz BLQRURVZZFWRRM-UHFFFAOYSA-N 1 0 340.286 2.040 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000825874013 1199617079 /nfs/dbraw/zinc/61/70/79/1199617079.db2.gz SKFVEXSQGIUAJI-HUUCEWRRSA-N 1 0 343.468 2.075 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289330 1199896348 /nfs/dbraw/zinc/89/63/48/1199896348.db2.gz RSJGFARJRWPAIO-CQDKDKBSSA-N 1 0 335.429 2.428 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C(F)F)CCC1 ZINC001132811607 1200055080 /nfs/dbraw/zinc/05/50/80/1200055080.db2.gz RVBBAKWODBZIEK-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879227197 1200939009 /nfs/dbraw/zinc/93/90/09/1200939009.db2.gz ASPVIRCTUDMYFA-HNNXBMFYSA-N 1 0 348.403 2.360 20 5 EEBDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866254593 1201476892 /nfs/dbraw/zinc/47/68/92/1201476892.db2.gz STUWYVQAYMCDSW-BXUZGUMPSA-N 1 0 339.367 2.485 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295696 1201486413 /nfs/dbraw/zinc/48/64/13/1201486413.db2.gz APTUDYUKWFNJKB-QWRGUYRKSA-N 1 0 332.397 2.078 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000866302295 1201488372 /nfs/dbraw/zinc/48/83/72/1201488372.db2.gz GGTFXZHOMUTIIR-NSHDSACASA-N 1 0 344.408 2.079 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCOCC1 ZINC000866335113 1201495120 /nfs/dbraw/zinc/49/51/20/1201495120.db2.gz DSRCDESVTCLSIX-NHYWBVRUSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(F)(F)F ZINC000866465783 1201524785 /nfs/dbraw/zinc/52/47/85/1201524785.db2.gz VHCZUDPJVLPYDT-IINYFYTJSA-N 1 0 347.337 2.465 20 5 EEBDRO CCSCC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945136 1201711454 /nfs/dbraw/zinc/71/14/54/1201711454.db2.gz RKCBALDNRZUDPT-XHDPSFHLSA-N 1 0 325.434 2.417 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000129181835 1201742643 /nfs/dbraw/zinc/74/26/43/1201742643.db2.gz WBKCLRVNZCOOIS-OKILXGFUSA-N 1 0 337.420 2.144 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882628471 1201909183 /nfs/dbraw/zinc/90/91/83/1201909183.db2.gz PUIXMASHLIUTMV-CYBMUJFWSA-N 1 0 332.404 2.383 20 5 EEBDRO Nc1c(F)c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726002 1201928923 /nfs/dbraw/zinc/92/89/23/1201928923.db2.gz HGQZXYKICIDNNM-GFCCVEGCSA-N 1 0 338.383 2.054 20 5 EEBDRO O=[N+]([O-])c1ncccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000886028369 1202464190 /nfs/dbraw/zinc/46/41/90/1202464190.db2.gz PIZBMBVWINCELB-UHFFFAOYSA-N 1 0 334.420 2.067 20 5 EEBDRO C[NH+](C)Cc1ccc(-c2noc(-c3c[nH]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC001212844532 1204434955 /nfs/dbraw/zinc/43/49/55/1204434955.db2.gz YUKQMZPFUGBXAV-UHFFFAOYSA-N 1 0 341.327 2.474 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095427493 1205736976 /nfs/dbraw/zinc/73/69/76/1205736976.db2.gz DLWGIBUAPYKUOO-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931047440 1206602713 /nfs/dbraw/zinc/60/27/13/1206602713.db2.gz YRDDZTWBJWLWEP-CJNGLKHVSA-N 1 0 334.420 2.256 20 5 EEBDRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000932440959 1207607195 /nfs/dbraw/zinc/60/71/95/1207607195.db2.gz XCGPBGMMCLITGH-HNNXBMFYSA-N 1 0 335.404 2.353 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778265259 1208021835 /nfs/dbraw/zinc/02/18/35/1208021835.db2.gz VKBIQYZDBQDUGP-UHFFFAOYSA-N 1 0 337.405 2.013 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000778289045 1208070153 /nfs/dbraw/zinc/07/01/53/1208070153.db2.gz JPPNEPCNYFPVAN-JQWIXIFHSA-N 1 0 327.331 2.286 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000195161347 1211330090 /nfs/dbraw/zinc/33/00/90/1211330090.db2.gz DKQKHQGJFOOQLS-ZDUSSCGKSA-N 1 0 334.420 2.419 20 5 EEBDRO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019981126 1229427184 /nfs/dbraw/zinc/42/71/84/1229427184.db2.gz VLGFTUZGQOAHOD-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001020047322 1229457349 /nfs/dbraw/zinc/45/73/49/1229457349.db2.gz HXEYJXMUSVYYPY-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1cc(N(CCCNC(=O)CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001096070857 1234416260 /nfs/dbraw/zinc/41/62/60/1234416260.db2.gz PGRWMSYYLCLRNI-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801909442 1236401882 /nfs/dbraw/zinc/40/18/82/1236401882.db2.gz BWSWWDCWCCTWPW-GHMZBOCLSA-N 1 0 338.383 2.261 20 5 EEBDRO Cc1cc(NC2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001057334744 1243338192 /nfs/dbraw/zinc/33/81/92/1243338192.db2.gz AQLFIWFRKWVTQD-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC001097050167 1243625227 /nfs/dbraw/zinc/62/52/27/1243625227.db2.gz FJBCFZJQIMOZEN-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097091149 1243689731 /nfs/dbraw/zinc/68/97/31/1243689731.db2.gz GLWPHOFKGADJCG-SHTZXODSSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001097245188 1243872804 /nfs/dbraw/zinc/87/28/04/1243872804.db2.gz AXKAOWQSVJYWRN-OKILXGFUSA-N 1 0 346.431 2.304 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000852008030 1291950803 /nfs/dbraw/zinc/95/08/03/1291950803.db2.gz DJDYJBUNRQBTET-OAHLLOKOSA-N 1 0 337.395 2.421 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856479519 1293540378 /nfs/dbraw/zinc/54/03/78/1293540378.db2.gz MFVALRLZOVOPJA-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857766024 1293911304 /nfs/dbraw/zinc/91/13/04/1293911304.db2.gz XEYFLEXGTFTFDM-UHFFFAOYSA-N 1 0 343.330 2.154 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000858632070 1294174704 /nfs/dbraw/zinc/17/47/04/1294174704.db2.gz OLJNRBBHFTUYIV-DTORHVGOSA-N 1 0 327.768 2.221 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000861036985 1295226600 /nfs/dbraw/zinc/22/66/00/1295226600.db2.gz VNYAJRHRKHUVAX-HNNXBMFYSA-N 1 0 336.388 2.100 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC([C@H]2CCOC2)CC1 ZINC000794638343 1296501544 /nfs/dbraw/zinc/50/15/44/1296501544.db2.gz DDHCLUINEHKXSE-ZDUSSCGKSA-N 1 0 347.371 2.209 20 5 EEBDRO [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979036 1297888934 /nfs/dbraw/zinc/88/89/34/1297888934.db2.gz GZWAWKVOKAECPV-CQSZACIVSA-N 1 0 332.367 2.015 20 5 EEBDRO CNOCCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220402759 1298391715 /nfs/dbraw/zinc/39/17/15/1298391715.db2.gz CIMWMVQBNGPBON-IBGZPJMESA-N 1 0 337.423 2.130 20 5 EEBDRO C[NH+](C)C1CCC(Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227097269 1301686190 /nfs/dbraw/zinc/68/61/90/1301686190.db2.gz ZHDXRMJCTHOSDX-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001228664563 1302368521 /nfs/dbraw/zinc/36/85/21/1302368521.db2.gz NRIKNJRAKOTZJB-HAQNSBGRSA-N 1 0 342.417 2.250 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1cnn2Cc1ccccc1 ZINC001228697831 1302389071 /nfs/dbraw/zinc/38/90/71/1302389071.db2.gz YXZNYAGTXJMIPV-AWEZNQCLSA-N 1 0 326.424 2.348 20 5 EEBDRO CC[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc(C)c(OC)c2[N+](=O)[O-])C1 ZINC001229867585 1302970324 /nfs/dbraw/zinc/97/03/24/1302970324.db2.gz AHJLCHMCCXROLH-SNVBAGLBSA-N 1 0 325.321 2.293 20 5 EEBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001229867812 1302970777 /nfs/dbraw/zinc/97/07/77/1302970777.db2.gz CCUKAGISNZOGGD-SNVBAGLBSA-N 1 0 328.345 2.294 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001111828953 1303959111 /nfs/dbraw/zinc/95/91/11/1303959111.db2.gz LCYPNACIPVXFDF-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001120556279 1309608972 /nfs/dbraw/zinc/60/89/72/1309608972.db2.gz UHQFQLGVTGOFKP-MRXNPFEDSA-N 1 0 346.383 2.271 20 5 EEBDRO COc1ccc(C[C@H](C)N2C[C@@H]([NH3+])CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001246583499 1310348209 /nfs/dbraw/zinc/34/82/09/1310348209.db2.gz HBAAQEQBFGGOMK-JQWIXIFHSA-N 1 0 329.347 2.203 20 5 EEBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CC[NH+]1CCCCC1 ZINC001122730790 1310377790 /nfs/dbraw/zinc/37/77/90/1310377790.db2.gz JCBNMWXVHZRROX-CQSZACIVSA-N 1 0 338.456 2.194 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@]23CCC[NH2+]CC3)n1 ZINC001247930627 1310787812 /nfs/dbraw/zinc/78/78/12/1310787812.db2.gz WRAWDEZIAAYRDG-MEBBXXQBSA-N 1 0 333.323 2.426 20 5 EEBDRO COc1ccc(Nc2ncccc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001248470551 1310907896 /nfs/dbraw/zinc/90/78/96/1310907896.db2.gz NRCUQPFWLLEUTG-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000834295941 1314816875 /nfs/dbraw/zinc/81/68/75/1314816875.db2.gz KEZMSXANHCTXDK-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284649 1315149159 /nfs/dbraw/zinc/14/91/59/1315149159.db2.gz LLHMKRYWGUSMBK-CVEARBPZSA-N 1 0 336.388 2.434 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000840151969 1315310604 /nfs/dbraw/zinc/31/06/04/1315310604.db2.gz KSPJSDFNDJKYNK-INIZCTEOSA-N 1 0 344.419 2.225 20 5 EEBDRO C[NH2+]CCN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161510 1315492999 /nfs/dbraw/zinc/49/29/99/1315492999.db2.gz MPBDYRADDAFODP-UHFFFAOYSA-N 1 0 331.170 2.040 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000841837951 1315620755 /nfs/dbraw/zinc/62/07/55/1315620755.db2.gz VBHUNECURJXYJY-UHFFFAOYSA-N 1 0 342.399 2.138 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000843068844 1315834085 /nfs/dbraw/zinc/83/40/85/1315834085.db2.gz NFGHHOXHZMFZSN-YJBOKZPZSA-N 1 0 330.384 2.069 20 5 EEBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843086857 1315838149 /nfs/dbraw/zinc/83/81/49/1315838149.db2.gz IAZAMQYKTQCLOU-AVGNSLFASA-N 1 0 336.310 2.166 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000843093287 1315840463 /nfs/dbraw/zinc/84/04/63/1315840463.db2.gz FZEUNEDYZQAREU-YOEHRIQHSA-N 1 0 334.347 2.133 20 5 EEBDRO [NH3+]C1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843325113 1315891248 /nfs/dbraw/zinc/89/12/48/1315891248.db2.gz FWXHULZJQFSQOP-UHFFFAOYSA-N 1 0 329.759 2.316 20 5 EEBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000843376440 1315903796 /nfs/dbraw/zinc/90/37/96/1315903796.db2.gz JWNMHGVUVSLEPD-CYBMUJFWSA-N 1 0 340.811 2.117 20 5 EEBDRO CC(C)c1ncncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151266030 1316491616 /nfs/dbraw/zinc/49/16/16/1316491616.db2.gz MXDUUCYTXMEQTE-UHFFFAOYSA-N 1 0 349.416 2.089 20 5 EEBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001251861447 1317511027 /nfs/dbraw/zinc/51/10/27/1317511027.db2.gz BJTKHOMXIGQCHJ-UHFFFAOYSA-N 1 0 338.327 2.318 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001155549199 1317647520 /nfs/dbraw/zinc/64/75/20/1317647520.db2.gz JMBJVUXIYNFVPE-KGLIPLIRSA-N 1 0 342.355 2.292 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592042 1317663726 /nfs/dbraw/zinc/66/37/26/1317663726.db2.gz LSITUHYBLGSSCV-QMTHXVAHSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155596003 1317666137 /nfs/dbraw/zinc/66/61/37/1317666137.db2.gz GFWQVRILBOBCTL-PXAZEXFGSA-N 1 0 343.387 2.109 20 5 EEBDRO [NH3+][C@H]1CCc2nn(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1 ZINC001254467058 1318081526 /nfs/dbraw/zinc/08/15/26/1318081526.db2.gz UXWVFHGNYUICBM-AWEZNQCLSA-N 1 0 341.415 2.449 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)ncn1 ZINC001254545890 1318117578 /nfs/dbraw/zinc/11/75/78/1318117578.db2.gz QHGSMBPISLBXAD-GDBMZVCRSA-N 1 0 341.415 2.493 20 5 EEBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560124 1318121482 /nfs/dbraw/zinc/12/14/82/1318121482.db2.gz PJDLTKWJUZTLIY-GOEBONIOSA-N 1 0 349.431 2.143 20 5 EEBDRO CCNC(=O)COC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254570075 1318124639 /nfs/dbraw/zinc/12/46/39/1318124639.db2.gz MMASMVWYSOXUHV-CQSZACIVSA-N 1 0 349.431 2.143 20 5 EEBDRO CC(C)Oc1nccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254587586 1318133905 /nfs/dbraw/zinc/13/39/05/1318133905.db2.gz QMFSNBPYVHDHRB-OAHLLOKOSA-N 1 0 328.372 2.429 20 5 EEBDRO O=C(/C=C/c1ccc[nH]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157073992 1318385395 /nfs/dbraw/zinc/38/53/95/1318385395.db2.gz LQABKOQMTRVGGZ-RMKNXTFCSA-N 1 0 328.372 2.232 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256086931 1318645368 /nfs/dbraw/zinc/64/53/68/1318645368.db2.gz IUEWYXLSBWDNPT-ZDUSSCGKSA-N 1 0 335.404 2.198 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2nc(-c3ccccc3)nc2CC[NH3+])n1 ZINC001157896841 1318921304 /nfs/dbraw/zinc/92/13/04/1318921304.db2.gz JLNWJEQKBZQRAS-UHFFFAOYSA-N 1 0 338.371 2.356 20 5 EEBDRO CCOC(=O)C1=C(N=c2ccc3c(cccc3[N+](=O)[O-])[nH]2)CC[NH2+]C1 ZINC001159452407 1319811967 /nfs/dbraw/zinc/81/19/67/1319811967.db2.gz HFRFCTUNUKEDCV-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO Nc1cc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)ncc1[N+](=O)[O-] ZINC001161131867 1320397210 /nfs/dbraw/zinc/39/72/10/1320397210.db2.gz QZEIATBPDOKPQG-UHFFFAOYSA-N 1 0 343.387 2.354 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(NCC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC001161242729 1320430978 /nfs/dbraw/zinc/43/09/78/1320430978.db2.gz DNMFDYVHQSCWIQ-UHFFFAOYSA-N 1 0 342.403 2.412 20 5 EEBDRO COC(=O)c1ccnc(N(CC[NH3+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001161880600 1320659919 /nfs/dbraw/zinc/65/99/19/1320659919.db2.gz KZVIWWQSFBNYFD-UHFFFAOYSA-N 1 0 334.307 2.012 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162794967 1320960397 /nfs/dbraw/zinc/96/03/97/1320960397.db2.gz BYCXXHHWUXWGHG-UHFFFAOYSA-N 1 0 334.763 2.139 20 5 EEBDRO COc1cc(C)nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163053647 1321024616 /nfs/dbraw/zinc/02/46/16/1321024616.db2.gz TVLNEMASQAYBEJ-LBPRGKRZSA-N 1 0 332.360 2.085 20 5 EEBDRO O=[N+]([O-])c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cn2ccnc12 ZINC001163059833 1321026282 /nfs/dbraw/zinc/02/62/82/1321026282.db2.gz HMSMJEOCFHEEDF-ZDUSSCGKSA-N 1 0 340.387 2.266 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCO[C@@]3(CC[NH2+]C3)C1)CCCC2 ZINC001163308904 1321093636 /nfs/dbraw/zinc/09/36/36/1321093636.db2.gz FPQKCVHQFGJWIS-DYVFJYSZSA-N 1 0 332.404 2.192 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC1([NH3+])CCC1 ZINC001163322403 1321096921 /nfs/dbraw/zinc/09/69/21/1321096921.db2.gz VDUHRSPUAQLVTG-UHFFFAOYSA-N 1 0 328.756 2.113 20 5 EEBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001163461070 1321131226 /nfs/dbraw/zinc/13/12/26/1321131226.db2.gz CCYCCUUXBWVRAK-LBPRGKRZSA-N 1 0 334.307 2.027 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164439605 1321378854 /nfs/dbraw/zinc/37/88/54/1321378854.db2.gz SAPLYGSUNNAYBE-UHFFFAOYSA-N 1 0 342.399 2.034 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C1 ZINC001165145967 1321465079 /nfs/dbraw/zinc/46/50/79/1321465079.db2.gz AINQJUIZPHRINL-DTORHVGOSA-N 1 0 332.738 2.186 20 5 EEBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001262042045 1322225448 /nfs/dbraw/zinc/22/54/48/1322225448.db2.gz YHIJQWXBZZSHNK-AWEZNQCLSA-N 1 0 347.396 2.452 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001321267117 1333059169 /nfs/dbraw/zinc/05/91/69/1333059169.db2.gz FEGJXKBEGFLJRU-ZBFHGGJFSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC001609165091 1351872202 /nfs/dbraw/zinc/87/22/02/1351872202.db2.gz DALREVFHDVRJBR-NEPJUHHUSA-N 1 0 345.407 2.450 20 5 EEBDRO CN(Cc1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1ccccc1[N+](=O)[O-] ZINC001325470861 1333892879 /nfs/dbraw/zinc/89/28/79/1333892879.db2.gz SENHOLJEAZAGEG-CYBMUJFWSA-N 1 0 343.387 2.423 20 5 EEBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609210344 1351893410 /nfs/dbraw/zinc/89/34/10/1351893410.db2.gz MZTZSQUHAMSAMJ-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CC[NH2+]C1 ZINC001331001907 1334944658 /nfs/dbraw/zinc/94/46/58/1334944658.db2.gz XZABZLDNEIZZSM-OAHLLOKOSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409221 1351964999 /nfs/dbraw/zinc/96/49/99/1351964999.db2.gz BWROPZKCYANKLB-LLVKDONJSA-N 1 0 345.407 2.227 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)n1 ZINC001336727692 1336586618 /nfs/dbraw/zinc/58/66/18/1336586618.db2.gz ZVSKMZBGQDBKHH-LBPRGKRZSA-N 1 0 348.403 2.230 20 5 EEBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001336988562 1336626644 /nfs/dbraw/zinc/62/66/44/1336626644.db2.gz CQGPBYIJNKPWGW-OAHLLOKOSA-N 1 0 332.404 2.267 20 5 EEBDRO COc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001337914928 1336753624 /nfs/dbraw/zinc/75/36/24/1336753624.db2.gz BWENJTAYYPOTBH-GFCCVEGCSA-N 1 0 330.344 2.463 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001345932826 1337475546 /nfs/dbraw/zinc/47/55/46/1337475546.db2.gz ZFJDWHLQAODPFC-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001346082591 1337479468 /nfs/dbraw/zinc/47/94/68/1337479468.db2.gz IBVQHGGEYGYLBL-UHFFFAOYSA-N 1 0 348.447 2.415 20 5 EEBDRO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266263 1338475928 /nfs/dbraw/zinc/47/59/28/1338475928.db2.gz JEEUNPSJGFFSHW-CXAGYDPISA-N 1 0 343.431 2.498 20 5 EEBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1cccc(F)c1[N+](=O)[O-] ZINC001100543060 1338485417 /nfs/dbraw/zinc/48/54/17/1338485417.db2.gz OGJBKJBAKAWAQF-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001576749155 1344055657 /nfs/dbraw/zinc/05/56/57/1344055657.db2.gz QCWCWAIZVGXMSI-UEKVPHQBSA-N 1 0 331.376 2.121 20 5 EEBDRO O=C(CN1CCCC[C@]12CCC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC001580548146 1344533989 /nfs/dbraw/zinc/53/39/89/1344533989.db2.gz RHDRLHWAYMPLEU-QGZVFWFLSA-N 1 0 332.404 2.141 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001580570294 1344539173 /nfs/dbraw/zinc/53/91/73/1344539173.db2.gz XINBMNCHTCXPJU-DZGCQCFKSA-N 1 0 335.379 2.267 20 5 EEBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580649746 1344548774 /nfs/dbraw/zinc/54/87/74/1344548774.db2.gz WISFMJDPUSYCAE-NSHDSACASA-N 1 0 344.371 2.111 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001589137385 1348964083 /nfs/dbraw/zinc/96/40/83/1348964083.db2.gz ZQXKISPSZBKEEU-LLVKDONJSA-N 1 0 331.380 2.060 20 5 EEBDRO C[N@H+](CCCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])C1CC1 ZINC001591065409 1349438116 /nfs/dbraw/zinc/43/81/16/1349438116.db2.gz NAYWOELSTHHREN-UHFFFAOYSA-N 1 0 337.409 2.123 20 5 EEBDRO Cc1c(C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC001605488229 1351169826 /nfs/dbraw/zinc/16/98/26/1351169826.db2.gz QZOGSPQJGRESLT-UHFFFAOYSA-N 1 0 338.371 2.416 20 5 EEBDRO COc1cc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1C ZINC000423439708 1367081822 /nfs/dbraw/zinc/08/18/22/1367081822.db2.gz HZUODDAKWHWXDH-PBWFPOADSA-N 1 0 333.388 2.267 20 5 EEBDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000823921505 1368096088 /nfs/dbraw/zinc/09/60/88/1368096088.db2.gz VSRYVVLXBOCGDO-UONOGXRCSA-N 1 0 333.392 2.315 20 5 EEBDRO CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087883 1371858897 /nfs/dbraw/zinc/85/88/97/1371858897.db2.gz YWGRKGFQCTWEQY-JNOJRODYSA-N 1 0 335.448 2.415 20 5 EEBDRO CC(C)c1ccc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001122234351 1371953645 /nfs/dbraw/zinc/95/36/45/1371953645.db2.gz SHKQYUFRRUMQLI-UHFFFAOYSA-N 1 0 347.415 2.313 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000839544268 1372909643 /nfs/dbraw/zinc/90/96/43/1372909643.db2.gz QTRGKCGUCCKSKQ-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001753182430 1406699674 /nfs/dbraw/zinc/69/96/74/1406699674.db2.gz VEXOWDCGPBCTHW-UHFFFAOYSA-N 1 0 331.372 2.287 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592007654 1403982075 /nfs/dbraw/zinc/98/20/75/1403982075.db2.gz BUXFSZCUKOBENT-UHFFFAOYSA-N 1 0 345.407 2.004 20 5 EEBDRO C[NH2+]Cc1c(C)nn(-c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)c1C ZINC001167098198 757298933 /nfs/dbraw/zinc/29/89/33/757298933.db2.gz BKAHRMVBGJKMPB-VOTSOKGWSA-N 1 0 330.392 2.044 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626599 760766061 /nfs/dbraw/zinc/76/60/61/760766061.db2.gz OSPSADFHDUHCSM-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO Cc1nc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c(C)c1Br ZINC001167731474 765303575 /nfs/dbraw/zinc/30/35/75/765303575.db2.gz ICDOMNMBMWOKRW-UHFFFAOYSA-N 1 0 340.181 2.056 20 5 EEBDRO CC(C)(C)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031662217 770728142 /nfs/dbraw/zinc/72/81/42/770728142.db2.gz XMQINUFIZCAKFB-IAGOWNOFSA-N 1 0 345.443 2.197 20 5 EEBDRO CC(F)(F)C(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980609765 774991787 /nfs/dbraw/zinc/99/17/87/774991787.db2.gz YKEOORPRAUGLFV-UHFFFAOYSA-N 1 0 327.331 2.284 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000981137120 776583577 /nfs/dbraw/zinc/58/35/77/776583577.db2.gz NNHXMNHXABAGIE-HZPDHXFCSA-N 1 0 343.383 2.132 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3(Br)CC3)C2)nc1 ZINC000846827411 790608205 /nfs/dbraw/zinc/60/82/05/790608205.db2.gz USXKQUFKWXGORS-SNVBAGLBSA-N 1 0 341.209 2.404 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000893739511 780141739 /nfs/dbraw/zinc/14/17/39/780141739.db2.gz FODSIXACULRXMB-UHFFFAOYSA-N 1 0 345.403 2.413 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993933 783449604 /nfs/dbraw/zinc/44/96/04/783449604.db2.gz IRYWMZGXTGQXNS-VIFPVBQESA-N 1 0 348.140 2.282 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C[N@H+](C)C1CC1 ZINC000809955260 783559396 /nfs/dbraw/zinc/55/93/96/783559396.db2.gz FSVMJHLUAQZKNX-AWEZNQCLSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1cnc(CCCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001129099095 784026295 /nfs/dbraw/zinc/02/62/95/784026295.db2.gz OJIBRXGWFHBYRT-UHFFFAOYSA-N 1 0 346.387 2.120 20 5 EEBDRO CC(C)c1nnsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135623952 784116775 /nfs/dbraw/zinc/11/67/75/784116775.db2.gz QVVONYMZVQEPQI-UHFFFAOYSA-N 1 0 349.416 2.089 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818013862 785172369 /nfs/dbraw/zinc/17/23/69/785172369.db2.gz HTHQXYDJFIMURE-UHFFFAOYSA-N 1 0 348.172 2.178 20 5 EEBDRO COc1ccc(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000818554823 785291290 /nfs/dbraw/zinc/29/12/90/785291290.db2.gz KSBIMNGLNUQOIG-UHFFFAOYSA-N 1 0 341.367 2.430 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000819265790 785500191 /nfs/dbraw/zinc/50/01/91/785500191.db2.gz IYIUCQUTTSMLED-MAUKXSAKSA-N 1 0 328.368 2.481 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000823305879 787664128 /nfs/dbraw/zinc/66/41/28/787664128.db2.gz OWEBRYPUDNHYBB-AWEZNQCLSA-N 1 0 345.403 2.097 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCCC[NH3+])c1C ZINC000842920990 788994652 /nfs/dbraw/zinc/99/46/52/788994652.db2.gz VGOGFNJHTJUDKG-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO O=C(CC[NH2+][C@H](CO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129722382 789709574 /nfs/dbraw/zinc/70/95/74/789709574.db2.gz WZMMTHLLVYYRMP-MRXNPFEDSA-N 1 0 347.346 2.386 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923561113 789771924 /nfs/dbraw/zinc/77/19/24/789771924.db2.gz RQZUZYYDUODHSZ-QZTJIDSGSA-N 1 0 345.374 2.069 20 5 EEBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000158017988 790116075 /nfs/dbraw/zinc/11/60/75/790116075.db2.gz PURXPRQMKWLMFV-GDBMZVCRSA-N 1 0 333.436 2.314 20 5 EEBDRO [NH3+]Cc1ccc2cn(-c3ncnc4sc([N+](=O)[O-])cc43)nc2c1 ZINC001171321569 792195477 /nfs/dbraw/zinc/19/54/77/792195477.db2.gz NZNJGYAULZRCGX-UHFFFAOYSA-N 1 0 326.341 2.397 20 5 EEBDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914160698 795033126 /nfs/dbraw/zinc/03/31/26/795033126.db2.gz IYQDAHHHBJVIIN-OLZOCXBDSA-N 1 0 332.404 2.439 20 5 EEBDRO Cc1ccc(NCCNC(=O)c2c[nH+]ccc2N(C)C)c([N+](=O)[O-])c1 ZINC001093753290 795658233 /nfs/dbraw/zinc/65/82/33/795658233.db2.gz QFMAHITVACRQPK-UHFFFAOYSA-N 1 0 343.387 2.206 20 5 EEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172913691 797148485 /nfs/dbraw/zinc/14/84/85/797148485.db2.gz UFOSTDDFKTWZQL-WBVHZDCISA-N 1 0 348.399 2.106 20 5 EEBDRO COc1ncnc(OC)c1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218048 797298154 /nfs/dbraw/zinc/29/81/54/797298154.db2.gz ODMXATVFMZXTDN-NSHDSACASA-N 1 0 332.360 2.123 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OC2COC2)n1 ZINC001173218063 797298853 /nfs/dbraw/zinc/29/88/53/797298853.db2.gz ASNWOLDIUMNWGI-CYBMUJFWSA-N 1 0 343.383 2.488 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cnccn2)CC1 ZINC001173225933 797309438 /nfs/dbraw/zinc/30/94/38/797309438.db2.gz KIEHXKLNEGAYSU-CQSZACIVSA-N 1 0 327.388 2.138 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)NCc1ccco1 ZINC001173213926 797315440 /nfs/dbraw/zinc/31/54/40/797315440.db2.gz MDCYBQUFOVQVHE-ZDUSSCGKSA-N 1 0 331.372 2.415 20 5 EEBDRO Cc1ccnc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173238517 797323723 /nfs/dbraw/zinc/32/37/23/797323723.db2.gz USQWRWRQCUHAAS-HNNXBMFYSA-N 1 0 341.415 2.446 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001173238796 797324188 /nfs/dbraw/zinc/32/41/88/797324188.db2.gz YNTNURBGOYWSDS-CYBMUJFWSA-N 1 0 334.420 2.261 20 5 EEBDRO C[NH+](C)CCC(=O)N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001095247362 797583680 /nfs/dbraw/zinc/58/36/80/797583680.db2.gz HSJSRVDNHZCDRK-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC001165073053 797615035 /nfs/dbraw/zinc/61/50/35/797615035.db2.gz URZGLOFVHFSZRD-QMMMGPOBSA-N 1 0 331.829 2.291 20 5 EEBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC001176360837 798440021 /nfs/dbraw/zinc/44/00/21/798440021.db2.gz ZDADYUNNNRGJMO-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsn1 ZINC001086117266 802211147 /nfs/dbraw/zinc/21/11/47/802211147.db2.gz DWOZQQWSPFDJGC-BETUJISGSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC001086290911 802678821 /nfs/dbraw/zinc/67/88/21/802678821.db2.gz JZHGGNHHVOVNMC-KOMQPUFPSA-N 1 0 347.415 2.006 20 5 EEBDRO Cc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086334235 802770687 /nfs/dbraw/zinc/77/06/87/802770687.db2.gz LQUFHIUJPCGOHH-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CC1(C)CCC(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001086363225 802829662 /nfs/dbraw/zinc/82/96/62/802829662.db2.gz IHDSWHGIVOHEGD-KLHDSHLOSA-N 1 0 337.464 2.352 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007977 803568973 /nfs/dbraw/zinc/56/89/73/803568973.db2.gz QDLWAKOPDMDYJL-SBJFKYEJSA-N 1 0 339.436 2.277 20 5 EEBDRO CCOC(=O)c1ncn2c1cccc2C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008222 803569391 /nfs/dbraw/zinc/56/93/91/803569391.db2.gz SDUMXDGORAVTQO-STQMWFEESA-N 1 0 346.387 2.046 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169012235 803571431 /nfs/dbraw/zinc/57/14/31/803571431.db2.gz OTLDCOYEKPFVFO-KBXIAJHMSA-N 1 0 339.436 2.231 20 5 EEBDRO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169014052 803571845 /nfs/dbraw/zinc/57/18/45/803571845.db2.gz YNKKAHLUKYIYIG-XCCIUEIHSA-N 1 0 339.436 2.421 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034964 803579710 /nfs/dbraw/zinc/57/97/10/803579710.db2.gz IXDYJUXEFPXDQQ-MCIONIFRSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2cc(CN3CC[NH2+]CC3)c3cccnc32)C1 ZINC001169036486 803580248 /nfs/dbraw/zinc/58/02/48/803580248.db2.gz OPZBXMXTFTXTNB-ZBFHGGJFSA-N 1 0 343.431 2.059 20 5 EEBDRO CC(C)(C)CC(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169041675 803583976 /nfs/dbraw/zinc/58/39/76/803583976.db2.gz BYUQUXAZDOIPEM-HIFRSBDPSA-N 1 0 325.453 2.449 20 5 EEBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169057882 803598336 /nfs/dbraw/zinc/59/83/36/803598336.db2.gz YNQKHLSZLPKPLN-XBVQOTNRSA-N 1 0 332.400 2.320 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788740918 807678923 /nfs/dbraw/zinc/67/89/23/807678923.db2.gz RTDVPKRTAGFPAW-LLVKDONJSA-N 1 0 340.383 2.314 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)n2)c1 ZINC000789509910 808033433 /nfs/dbraw/zinc/03/34/33/808033433.db2.gz WGLANSZYSMDUCW-JKSUJKDBSA-N 1 0 343.387 2.454 20 5 EEBDRO CC[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000792431300 809747213 /nfs/dbraw/zinc/74/72/13/809747213.db2.gz KDVDELGVZAWOIQ-CQSZACIVSA-N 1 0 327.768 2.345 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355498 809902785 /nfs/dbraw/zinc/90/27/85/809902785.db2.gz HGKDQGGJVWIOLG-HIFRSBDPSA-N 1 0 347.415 2.231 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001129939013 811036150 /nfs/dbraw/zinc/03/61/50/811036150.db2.gz IIBVDIOYULDYOF-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CC(C)(C)c1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001130732467 811978498 /nfs/dbraw/zinc/97/84/98/811978498.db2.gz QQPLOEVGNAJADS-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCN1CCC([NH+](C)C)CC1 ZINC000807989295 812405257 /nfs/dbraw/zinc/40/52/57/812405257.db2.gz LKLPKUVINXHSFK-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001131604376 813007029 /nfs/dbraw/zinc/00/70/29/813007029.db2.gz RURMXYSPTGHIAQ-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181763649 529594429 /nfs/dbraw/zinc/59/44/29/529594429.db2.gz ZESQWXWCVPCWCX-HNNXBMFYSA-N 1 0 326.418 2.460 20 5 EEBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000178694243 296019524 /nfs/dbraw/zinc/01/95/24/296019524.db2.gz SRQPOCFZEGBTRU-CYBMUJFWSA-N 1 0 334.420 2.298 20 5 EEBDRO COc1cccc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000181212662 201032690 /nfs/dbraw/zinc/03/26/90/201032690.db2.gz FKZIGKZZAYDEKQ-OAHLLOKOSA-N 1 0 336.436 2.287 20 5 EEBDRO Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000261978247 201202006 /nfs/dbraw/zinc/20/20/06/201202006.db2.gz ZVTRDANCERRRHK-JTQLQIEISA-N 1 0 332.385 2.428 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000193321213 240108510 /nfs/dbraw/zinc/10/85/10/240108510.db2.gz LOUDCLHPFSTBQQ-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000422628234 240163700 /nfs/dbraw/zinc/16/37/00/240163700.db2.gz SZQOLCXVCNRYPI-INIZCTEOSA-N 1 0 325.368 2.444 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193646008 240249046 /nfs/dbraw/zinc/24/90/46/240249046.db2.gz ANSBOYPDUVGXTN-CMPLNLGQSA-N 1 0 341.795 2.274 20 5 EEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000193863397 240339806 /nfs/dbraw/zinc/33/98/06/240339806.db2.gz OQDRMXOSKLWIHK-LBPRGKRZSA-N 1 0 337.332 2.088 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000423552256 240526268 /nfs/dbraw/zinc/52/62/68/240526268.db2.gz PJECYCTZUDTSKM-UHFFFAOYSA-N 1 0 341.820 2.376 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000194776061 240712918 /nfs/dbraw/zinc/71/29/18/240712918.db2.gz MMIVKETWEINLDW-CQSZACIVSA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446398681 242187813 /nfs/dbraw/zinc/18/78/13/242187813.db2.gz PADAJDSPYOVAEZ-MVWJERBFSA-N 1 0 341.795 2.402 20 5 EEBDRO O=C(NCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000447580213 242290392 /nfs/dbraw/zinc/29/03/92/242290392.db2.gz NOQNEPWTTURRIM-GJZGRUSLSA-N 1 0 349.435 2.171 20 5 EEBDRO CC(C)N(C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236651892 242306671 /nfs/dbraw/zinc/30/66/71/242306671.db2.gz XWRAZWGQSZDRSD-UHFFFAOYSA-N 1 0 331.420 2.425 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447815833 242320445 /nfs/dbraw/zinc/32/04/45/242320445.db2.gz HXGYISWOBYSBJK-ZDUSSCGKSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578753 242568642 /nfs/dbraw/zinc/56/86/42/242568642.db2.gz QYKASELFJLLWSD-ZENOOKHLSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@H]1C[C@@H](O)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452065094 243340596 /nfs/dbraw/zinc/34/05/96/243340596.db2.gz BHWWJSZDPJWYMZ-SWLSCSKDSA-N 1 0 331.372 2.495 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455582360 244032923 /nfs/dbraw/zinc/03/29/23/244032923.db2.gz ZSLZCPICPFMLBX-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455648211 244048568 /nfs/dbraw/zinc/04/85/68/244048568.db2.gz NHHMUOXDOYATMI-LBPRGKRZSA-N 1 0 335.408 2.026 20 5 EEBDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075745169 203322456 /nfs/dbraw/zinc/32/24/56/203322456.db2.gz RMDHBJIHDZTSGC-KBPBESRZSA-N 1 0 336.417 2.359 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1SC ZINC000262723958 245146819 /nfs/dbraw/zinc/14/68/19/245146819.db2.gz GNGHHLUOMDVFGJ-KOLCDFICSA-N 1 0 339.417 2.053 20 5 EEBDRO [NH3+][C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000238055895 204865819 /nfs/dbraw/zinc/86/58/19/204865819.db2.gz BBFGDXAYDLIAME-LBPRGKRZSA-N 1 0 332.385 2.185 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129547787 205200072 /nfs/dbraw/zinc/20/00/72/205200072.db2.gz ANWCAYKBYXZMPC-MRXNPFEDSA-N 1 0 349.431 2.018 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000156377963 206072675 /nfs/dbraw/zinc/07/26/75/206072675.db2.gz OHSSPUPYVQOBIL-SNVBAGLBSA-N 1 0 334.319 2.311 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000157490683 206138379 /nfs/dbraw/zinc/13/83/79/206138379.db2.gz ACOKNOXGKJRYKL-AWEZNQCLSA-N 1 0 334.420 2.372 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362136757 296320134 /nfs/dbraw/zinc/32/01/34/296320134.db2.gz MSOSEJZDYDKQMA-IAGOWNOFSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420273359 532980645 /nfs/dbraw/zinc/98/06/45/532980645.db2.gz NFVHSUOIJGVMKT-YGRLFVJLSA-N 1 0 340.811 2.388 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414944843 533036866 /nfs/dbraw/zinc/03/68/66/533036866.db2.gz HJWZNYURNZEDHJ-QMMMGPOBSA-N 1 0 330.291 2.022 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000153591330 285091308 /nfs/dbraw/zinc/09/13/08/285091308.db2.gz PGAIHJBYVXUEIF-UHFFFAOYSA-N 1 0 340.811 2.192 20 5 EEBDRO Cc1cc(N2C[C@H](CO)OC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000325751689 291944136 /nfs/dbraw/zinc/94/41/36/291944136.db2.gz BBMYVVQDFACFPF-CYBMUJFWSA-N 1 0 331.372 2.428 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283052 256228739 /nfs/dbraw/zinc/22/87/39/256228739.db2.gz CJRYJVXVRWEZBF-SKDRFNHKSA-N 1 0 349.416 2.012 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000273168386 256272271 /nfs/dbraw/zinc/27/22/71/256272271.db2.gz OONMAXPYXCCQRA-HZPDHXFCSA-N 1 0 346.383 2.048 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000277145929 256501892 /nfs/dbraw/zinc/50/18/92/256501892.db2.gz IAXCAPVIBFNTHR-OAHLLOKOSA-N 1 0 344.415 2.492 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000077639435 292189491 /nfs/dbraw/zinc/18/94/91/292189491.db2.gz ISCAMKGYYVUHOO-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186795864 533675550 /nfs/dbraw/zinc/67/55/50/533675550.db2.gz SUXPXFQEZMZOPI-GXFFZTMASA-N 1 0 346.412 2.446 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000252695996 160393184 /nfs/dbraw/zinc/39/31/84/160393184.db2.gz BAKPXEMOPWMBFA-UONOGXRCSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000131388611 292386936 /nfs/dbraw/zinc/38/69/36/292386936.db2.gz NFLHCCVYSVQRDG-UHFFFAOYSA-N 1 0 335.404 2.271 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072672444 159042784 /nfs/dbraw/zinc/04/27/84/159042784.db2.gz ZUAOXJSWWMDONC-OAHLLOKOSA-N 1 0 336.392 2.073 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074123977 159060550 /nfs/dbraw/zinc/06/05/50/159060550.db2.gz OYVXGJCGTNQYRO-MRXNPFEDSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000083026767 159160246 /nfs/dbraw/zinc/16/02/46/159160246.db2.gz QAVXXTVEFZWRMY-ZIAGYGMSSA-N 1 0 335.404 2.214 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155467 160265104 /nfs/dbraw/zinc/26/51/04/160265104.db2.gz HRZQRCFRBCAGCO-CVEARBPZSA-N 1 0 335.452 2.378 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000341686787 161005126 /nfs/dbraw/zinc/00/51/26/161005126.db2.gz WCDRCONVRZDUQW-AWEZNQCLSA-N 1 0 326.418 2.084 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342154082 161043999 /nfs/dbraw/zinc/04/39/99/161043999.db2.gz UMOPNJAZJHWQPB-PXAZEXFGSA-N 1 0 344.415 2.145 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342518378 161071174 /nfs/dbraw/zinc/07/11/74/161071174.db2.gz OAIZKEKRQXQYPB-QWRGUYRKSA-N 1 0 341.358 2.405 20 5 EEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC[C@H]1CCCO1 ZINC000342568250 161074738 /nfs/dbraw/zinc/07/47/38/161074738.db2.gz LASBAPHPCHSXLG-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000342851086 161095648 /nfs/dbraw/zinc/09/56/48/161095648.db2.gz IGONZARNHCXYQG-IUODEOHRSA-N 1 0 331.416 2.471 20 5 EEBDRO Cn1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000344447017 161228623 /nfs/dbraw/zinc/22/86/23/161228623.db2.gz QLGIYIZOPOLESX-AWEZNQCLSA-N 1 0 334.351 2.105 20 5 EEBDRO COc1cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000351977696 162011624 /nfs/dbraw/zinc/01/16/24/162011624.db2.gz JNCGPBNBOOVFME-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccco1 ZINC000352543397 162181027 /nfs/dbraw/zinc/18/10/27/162181027.db2.gz DXZCWXIJCLGTBY-HNNXBMFYSA-N 1 0 334.372 2.240 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352574333 162195063 /nfs/dbraw/zinc/19/50/63/162195063.db2.gz GDRXZFLBOZQXFS-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000368155556 166059557 /nfs/dbraw/zinc/05/95/57/166059557.db2.gz OWSUQMMVUXZWBH-INIZCTEOSA-N 1 0 344.415 2.067 20 5 EEBDRO Cc1c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547612 165179241 /nfs/dbraw/zinc/17/92/41/165179241.db2.gz RTLLHYXKCAQMDG-QGZVFWFLSA-N 1 0 332.448 2.115 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430256 167041653 /nfs/dbraw/zinc/04/16/53/167041653.db2.gz RWKMPJBFQNOYDC-OIISXLGYSA-N 1 0 337.395 2.417 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000272321242 268953166 /nfs/dbraw/zinc/95/31/66/268953166.db2.gz TZQBBCMVCMKVNW-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272800952 269021764 /nfs/dbraw/zinc/02/17/64/269021764.db2.gz HNPYZTATTDBPFB-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000278934022 269252747 /nfs/dbraw/zinc/25/27/47/269252747.db2.gz XUCQEFHJQZCZLB-DNUAJFIVSA-N 1 0 334.416 2.436 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1[NH+](C)C ZINC000271387626 274127897 /nfs/dbraw/zinc/12/78/97/274127897.db2.gz BXBYATHBJBSWGS-CABCVRRESA-N 1 0 348.428 2.194 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000274131190 274186628 /nfs/dbraw/zinc/18/66/28/274186628.db2.gz YKCNWRSLUSFZAN-NXEZZACHSA-N 1 0 327.768 2.201 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000278709927 274390830 /nfs/dbraw/zinc/39/08/30/274390830.db2.gz JDHNYLCRVVLAIS-UHFFFAOYSA-N 1 0 325.409 2.398 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279375677 274471315 /nfs/dbraw/zinc/47/13/15/274471315.db2.gz HKWMUTUNZDUNGQ-UHFFFAOYSA-N 1 0 338.383 2.166 20 5 EEBDRO CCOC(=O)c1ccnc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000281042691 274624962 /nfs/dbraw/zinc/62/49/62/274624962.db2.gz VVQUDSAOCRJBMR-UHFFFAOYSA-N 1 0 334.376 2.207 20 5 EEBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000286166772 274843757 /nfs/dbraw/zinc/84/37/57/274843757.db2.gz OJZJDJNTUMFYDB-CVEARBPZSA-N 1 0 349.431 2.474 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579236 275072054 /nfs/dbraw/zinc/07/20/54/275072054.db2.gz XHNNXHFYJBFSLO-MNOVXSKESA-N 1 0 336.367 2.015 20 5 EEBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289661414 275136833 /nfs/dbraw/zinc/13/68/33/275136833.db2.gz FKGDRKJNPLJXHZ-AWEZNQCLSA-N 1 0 335.404 2.473 20 5 EEBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289966386 275166123 /nfs/dbraw/zinc/16/61/23/275166123.db2.gz ZGXYIIRRDLMVGH-BWTRYIQHSA-N 1 0 331.416 2.403 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000291051540 275264971 /nfs/dbraw/zinc/26/49/71/275264971.db2.gz XHRZQGGGYJFPKG-LLVKDONJSA-N 1 0 338.364 2.353 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cccn2)C1 ZINC000291696303 275330944 /nfs/dbraw/zinc/33/09/44/275330944.db2.gz HSNIKLLKMAPWIB-DOMZBBRYSA-N 1 0 329.360 2.065 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292150500 275384774 /nfs/dbraw/zinc/38/47/74/275384774.db2.gz CFYIACCFYZSVCP-QGZVFWFLSA-N 1 0 330.388 2.012 20 5 EEBDRO CC[NH+]1CCN([C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000121726750 276201921 /nfs/dbraw/zinc/20/19/21/276201921.db2.gz RYURDQCTROQOQL-LBPRGKRZSA-N 1 0 340.374 2.089 20 5 EEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313872465 277296004 /nfs/dbraw/zinc/29/60/04/277296004.db2.gz ADEPCEGERBMONM-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263316191 279168161 /nfs/dbraw/zinc/16/81/61/279168161.db2.gz ZMSSTCTZORASRC-RDTXWAMCSA-N 1 0 346.431 2.151 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420254276 279602915 /nfs/dbraw/zinc/60/29/15/279602915.db2.gz CMRLXXIBTUMNHE-GXTWGEPZSA-N 1 0 334.420 2.297 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639434 280187714 /nfs/dbraw/zinc/18/77/14/280187714.db2.gz PXPRCUBWMRKGRD-CABCVRRESA-N 1 0 344.415 2.162 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000161240066 280282651 /nfs/dbraw/zinc/28/26/51/280282651.db2.gz KNSFVBFSZBYXFN-LLVKDONJSA-N 1 0 349.840 2.242 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000194703783 281256889 /nfs/dbraw/zinc/25/68/89/281256889.db2.gz QJZKLJCHMXVUHU-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000267411260 289301235 /nfs/dbraw/zinc/30/12/35/289301235.db2.gz OPPDSELSIUTDIP-HUUCEWRRSA-N 1 0 334.420 2.309 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000293032178 293106765 /nfs/dbraw/zinc/10/67/65/293106765.db2.gz JZERDBODALQIMW-VIFPVBQESA-N 1 0 329.198 2.140 20 5 EEBDRO Cc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000295097354 293612319 /nfs/dbraw/zinc/61/23/19/293612319.db2.gz SWTUIMYUHAGKSB-UHFFFAOYSA-N 1 0 328.376 2.417 20 5 EEBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160500 293904975 /nfs/dbraw/zinc/90/49/75/293904975.db2.gz KMISOORIISVWRA-HOTGVXAUSA-N 1 0 347.415 2.495 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000296778195 294064927 /nfs/dbraw/zinc/06/49/27/294064927.db2.gz CTNZOWUYNMVPJM-LBPRGKRZSA-N 1 0 335.404 2.468 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861651 294904106 /nfs/dbraw/zinc/90/41/06/294904106.db2.gz DUROEIABPCFHOU-NEPJUHHUSA-N 1 0 341.433 2.283 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000493635210 447357239 /nfs/dbraw/zinc/35/72/39/447357239.db2.gz VACSCKZZSKLUHH-LSYFEZSPSA-N 1 0 345.334 2.117 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332386135 311999183 /nfs/dbraw/zinc/99/91/83/311999183.db2.gz JFSQEKRCBBUIHB-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO COC1([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000412027068 312600523 /nfs/dbraw/zinc/60/05/23/312600523.db2.gz UTMAXHMXGDBRCS-GFCCVEGCSA-N 1 0 333.388 2.031 20 5 EEBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413053596 312777030 /nfs/dbraw/zinc/77/70/30/312777030.db2.gz NZIJYHLEIJFGJF-UHFFFAOYSA-N 1 0 347.341 2.058 20 5 EEBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414519909 313036167 /nfs/dbraw/zinc/03/61/67/313036167.db2.gz CRLDIXJFNYKYJJ-MLGOLLRUSA-N 1 0 326.393 2.497 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415661241 313164034 /nfs/dbraw/zinc/16/40/34/313164034.db2.gz QAJMBDCNZWUSTH-NEPJUHHUSA-N 1 0 334.376 2.067 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417818727 313606856 /nfs/dbraw/zinc/60/68/56/313606856.db2.gz BHAPDVQRUSBNCS-NWANDNLSSA-N 1 0 332.404 2.215 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418553195 313844512 /nfs/dbraw/zinc/84/45/12/313844512.db2.gz SLAGKNILXDNAJV-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO [NH3+]CCCOC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430538044 314541128 /nfs/dbraw/zinc/54/11/28/314541128.db2.gz ASKMOBGFNXAKQL-UHFFFAOYSA-N 1 0 334.376 2.066 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000430701435 314571217 /nfs/dbraw/zinc/57/12/17/314571217.db2.gz VTZFRXDNMRAYTQ-HNNXBMFYSA-N 1 0 335.404 2.258 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436383939 314960264 /nfs/dbraw/zinc/96/02/64/314960264.db2.gz DYOIXYWUDSYRNL-AWEZNQCLSA-N 1 0 348.447 2.500 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000440087273 315111254 /nfs/dbraw/zinc/11/12/54/315111254.db2.gz JMKHFPHSNDRZLZ-CYBMUJFWSA-N 1 0 343.449 2.158 20 5 EEBDRO CNC(=O)c1ccc(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443971171 315267401 /nfs/dbraw/zinc/26/74/01/315267401.db2.gz VIASBDCMLGEAJO-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000444296137 315289267 /nfs/dbraw/zinc/28/92/67/315289267.db2.gz UIKYXEQRIAQUKV-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000449163561 315425761 /nfs/dbraw/zinc/42/57/61/315425761.db2.gz MPXHAUZLDXCPTQ-LRVUVFPRSA-N 1 0 340.445 2.471 20 5 EEBDRO CN(C)c1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000515637376 316509200 /nfs/dbraw/zinc/50/92/00/316509200.db2.gz JUZRVISKERHMJJ-UHFFFAOYSA-N 1 0 343.387 2.174 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc([N+](=O)[O-])c1 ZINC000522000148 316945293 /nfs/dbraw/zinc/94/52/93/316945293.db2.gz KBVFHSGHYDNBNI-WBVHZDCISA-N 1 0 347.415 2.262 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](COC)C(C)C)c([N+](=O)[O-])c1 ZINC000541595211 318103715 /nfs/dbraw/zinc/10/37/15/318103715.db2.gz MZRHHJPOTDGFAW-AWEZNQCLSA-N 1 0 339.392 2.193 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCCC1 ZINC000542776373 318139033 /nfs/dbraw/zinc/13/90/33/318139033.db2.gz IOODSBPDNZNMSN-JTQLQIEISA-N 1 0 343.330 2.410 20 5 EEBDRO COc1ccc(CC(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000561078602 318822750 /nfs/dbraw/zinc/82/27/50/318822750.db2.gz AUBNARFVRXBWMP-UHFFFAOYSA-N 1 0 349.431 2.479 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154748 319551155 /nfs/dbraw/zinc/55/11/55/319551155.db2.gz NWCCYCSUPSEDSI-NEPJUHHUSA-N 1 0 343.387 2.307 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1C ZINC000183421664 323407370 /nfs/dbraw/zinc/40/73/70/323407370.db2.gz BPUWUBXWEKWLFS-BDJLRTHQSA-N 1 0 343.387 2.093 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3)CCCC2)c1 ZINC000579549821 323874575 /nfs/dbraw/zinc/87/45/75/323874575.db2.gz OAPSFSBFVPSKIW-QGZVFWFLSA-N 1 0 344.415 2.254 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCC2)c1 ZINC000580435297 324062587 /nfs/dbraw/zinc/06/25/87/324062587.db2.gz SIRGSWQXLGNHNH-MRXNPFEDSA-N 1 0 348.378 2.003 20 5 EEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580964211 324160712 /nfs/dbraw/zinc/16/07/12/324160712.db2.gz ZHPDNQROBGXRSP-CHWSQXEVSA-N 1 0 341.433 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ncccc12 ZINC000325775401 465029806 /nfs/dbraw/zinc/02/98/06/465029806.db2.gz DDGBFLXLIFWIAZ-QWHCGFSZSA-N 1 0 328.372 2.418 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354630680 465064295 /nfs/dbraw/zinc/06/42/95/465064295.db2.gz VTOIUIQQVKXDKR-QWHCGFSZSA-N 1 0 341.433 2.088 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000347509832 465065335 /nfs/dbraw/zinc/06/53/35/465065335.db2.gz WVFRHGGSLYYHEA-INIZCTEOSA-N 1 0 334.420 2.119 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000358373566 465084764 /nfs/dbraw/zinc/08/47/64/465084764.db2.gz YEYUMPRYRLYKTE-CYBMUJFWSA-N 1 0 343.387 2.243 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCO[C@H]2CCOC2)n1 ZINC000351503193 465189753 /nfs/dbraw/zinc/18/97/53/465189753.db2.gz PFNULBFQGNPPKF-RRFJBIMHSA-N 1 0 338.408 2.060 20 5 EEBDRO Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863785 465199942 /nfs/dbraw/zinc/19/99/42/465199942.db2.gz YEBSAFBZZQHHLR-NVXWUHKLSA-N 1 0 347.394 2.031 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)OCCO2 ZINC000590659169 468298267 /nfs/dbraw/zinc/29/82/67/468298267.db2.gz HXMMTHNVCKJAIJ-RDTXWAMCSA-N 1 0 348.399 2.253 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCCC1 ZINC000060795940 462566609 /nfs/dbraw/zinc/56/66/09/462566609.db2.gz UBYXARCCUDKSNX-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000114478964 462654232 /nfs/dbraw/zinc/65/42/32/462654232.db2.gz ZGPDHAXYMKNXBB-ZIAGYGMSSA-N 1 0 334.420 2.114 20 5 EEBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153525839 462660733 /nfs/dbraw/zinc/66/07/33/462660733.db2.gz NVKDYQUMYQTXNY-AWEZNQCLSA-N 1 0 332.404 2.335 20 5 EEBDRO CC1CC[NH+](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046369776 462674610 /nfs/dbraw/zinc/67/46/10/462674610.db2.gz MOVWKCGYAOGRAW-UHFFFAOYSA-N 1 0 334.420 2.468 20 5 EEBDRO C[NH+](C)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000063836353 462677428 /nfs/dbraw/zinc/67/74/28/462677428.db2.gz FUWKBVZKVRDXTK-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089907917 462740215 /nfs/dbraw/zinc/74/02/15/462740215.db2.gz JVOVAMPRNNHHTE-NSHDSACASA-N 1 0 332.360 2.064 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007849686 462755122 /nfs/dbraw/zinc/75/51/22/462755122.db2.gz LICBYPPPWZWDEK-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226820 462757325 /nfs/dbraw/zinc/75/73/25/462757325.db2.gz LBKIMSWQRQPQBQ-HUUCEWRRSA-N 1 0 335.429 2.430 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000130570906 462765177 /nfs/dbraw/zinc/76/51/77/462765177.db2.gz VZJMAFHWAIKTFE-VIFPVBQESA-N 1 0 342.193 2.229 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075901212 462772635 /nfs/dbraw/zinc/77/26/35/462772635.db2.gz DBZAEFXEXNRKOT-IFIJOSMWSA-N 1 0 348.378 2.374 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066041988 462846830 /nfs/dbraw/zinc/84/68/30/462846830.db2.gz QIKHKMVVBPKAPV-UHFFFAOYSA-N 1 0 332.404 2.254 20 5 EEBDRO CCO[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000076405717 462856917 /nfs/dbraw/zinc/85/69/17/462856917.db2.gz QGVCJGVJMVYGAP-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119618395 462917484 /nfs/dbraw/zinc/91/74/84/462917484.db2.gz AVVIGPXINQZJSR-OAHLLOKOSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1cccc(C2=CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092822362 462981312 /nfs/dbraw/zinc/98/13/12/462981312.db2.gz HEVUGDPLEAGQAC-SFHVURJKSA-N 1 0 342.399 2.250 20 5 EEBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412399 463002651 /nfs/dbraw/zinc/00/26/51/463002651.db2.gz KGEYEBLGJKLGHT-HNNXBMFYSA-N 1 0 335.404 2.212 20 5 EEBDRO Nc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068134449 463097208 /nfs/dbraw/zinc/09/72/08/463097208.db2.gz YYESJHKWXSWWAN-CQSZACIVSA-N 1 0 332.404 2.268 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000157093271 463097629 /nfs/dbraw/zinc/09/76/29/463097629.db2.gz JZGCGZHDFPUIRC-NSHDSACASA-N 1 0 349.309 2.249 20 5 EEBDRO CC(C)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068181722 463101813 /nfs/dbraw/zinc/10/18/13/463101813.db2.gz WONSYCXBQLDQHY-UHFFFAOYSA-N 1 0 330.388 2.102 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078404663 463113253 /nfs/dbraw/zinc/11/32/53/463113253.db2.gz ATPFHTRBVNNEIV-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000078783654 463148678 /nfs/dbraw/zinc/14/86/78/463148678.db2.gz PBARWKDPYNQJAK-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000069047333 463203442 /nfs/dbraw/zinc/20/34/42/463203442.db2.gz LEQFTAXOIBBCSA-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079927658 463262172 /nfs/dbraw/zinc/26/21/72/463262172.db2.gz WRKRHVCJWHXECK-CHWSQXEVSA-N 1 0 334.420 2.474 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160239433 463324123 /nfs/dbraw/zinc/32/41/23/463324123.db2.gz LQACQEQFDNGLKD-GFCCVEGCSA-N 1 0 343.387 2.273 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000071063219 463406051 /nfs/dbraw/zinc/40/60/51/463406051.db2.gz APZWSODRUKGFMT-QGZVFWFLSA-N 1 0 343.383 2.393 20 5 EEBDRO NC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161925474 463468662 /nfs/dbraw/zinc/46/86/62/463468662.db2.gz AONKFZLZHCTRLN-UKRRQHHQSA-N 1 0 344.415 2.147 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC)CC1 ZINC000041897024 463518818 /nfs/dbraw/zinc/51/88/18/463518818.db2.gz KVNAMFOXYOUABU-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000042004912 463530999 /nfs/dbraw/zinc/53/09/99/463530999.db2.gz QTNLLJPWLPBTBY-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072835304 463553196 /nfs/dbraw/zinc/55/31/96/463553196.db2.gz GIAXXSDGWMPVIU-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000072851081 463554236 /nfs/dbraw/zinc/55/42/36/463554236.db2.gz TYMDDNNIJVJGFC-UHFFFAOYSA-N 1 0 332.364 2.029 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072858308 463554911 /nfs/dbraw/zinc/55/49/11/463554911.db2.gz JCPAYZHHAICDFF-UONOGXRCSA-N 1 0 334.420 2.195 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000043749946 463655840 /nfs/dbraw/zinc/65/58/40/463655840.db2.gz KRMSBPBRLAQDCX-CQSZACIVSA-N 1 0 334.401 2.271 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC[C@@H]2CCCO2)n1 ZINC000170606829 463682558 /nfs/dbraw/zinc/68/25/58/463682558.db2.gz CUAKFGDWCSYLFO-SOUVJXGZSA-N 1 0 338.408 2.060 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193826549 463745010 /nfs/dbraw/zinc/74/50/10/463745010.db2.gz RMZFKXOGYWEZSY-AWEZNQCLSA-N 1 0 334.420 2.311 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177790234 463792459 /nfs/dbraw/zinc/79/24/59/463792459.db2.gz FUOKFHLXJSYZJG-MRXNPFEDSA-N 1 0 329.404 2.392 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287239343 463844142 /nfs/dbraw/zinc/84/41/42/463844142.db2.gz RBMPQICHAPEGEH-ABAIWWIYSA-N 1 0 343.387 2.170 20 5 EEBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000277059989 463860190 /nfs/dbraw/zinc/86/01/90/463860190.db2.gz HUKKEABMEHBKFC-AWEZNQCLSA-N 1 0 336.436 2.289 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000269099542 463874885 /nfs/dbraw/zinc/87/48/85/463874885.db2.gz QNUPXJZSYJPIDW-HOTGVXAUSA-N 1 0 342.399 2.285 20 5 EEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000269099546 463874939 /nfs/dbraw/zinc/87/49/39/463874939.db2.gz QNUPXJZSYJPIDW-JKSUJKDBSA-N 1 0 342.399 2.285 20 5 EEBDRO CN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000269121725 463881606 /nfs/dbraw/zinc/88/16/06/463881606.db2.gz HUELTEIPAVAAFW-QGZVFWFLSA-N 1 0 341.367 2.429 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@@H]2c2ccccc2Cl)n1 ZINC000261881872 463887555 /nfs/dbraw/zinc/88/75/55/463887555.db2.gz YQRWQNUXZCMQLM-CQSZACIVSA-N 1 0 335.795 2.091 20 5 EEBDRO O=C(NCCN1CCc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269143676 463889347 /nfs/dbraw/zinc/88/93/47/463889347.db2.gz OOTMHTBRCIHACA-UHFFFAOYSA-N 1 0 341.367 2.089 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000269185202 463902511 /nfs/dbraw/zinc/90/25/11/463902511.db2.gz FKRPDFKEUQJUQS-UHFFFAOYSA-N 1 0 347.371 2.311 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000287509206 463909552 /nfs/dbraw/zinc/90/95/52/463909552.db2.gz ZHDRAPLPYUPRAC-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO [NH3+]C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000178561707 463922607 /nfs/dbraw/zinc/92/26/07/463922607.db2.gz KOBCSNNXJDGOOS-JTQLQIEISA-N 1 0 332.385 2.139 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000269262534 463932910 /nfs/dbraw/zinc/93/29/10/463932910.db2.gz JWMUTEUWRNASNK-HNNXBMFYSA-N 1 0 334.420 2.298 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186223702 463956505 /nfs/dbraw/zinc/95/65/05/463956505.db2.gz QYDTVDMEVUMNSN-UHFFFAOYSA-N 1 0 331.376 2.107 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262186858 463967261 /nfs/dbraw/zinc/96/72/61/463967261.db2.gz JICHLGHFXHKLIA-MRXNPFEDSA-N 1 0 340.383 2.253 20 5 EEBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178772719 463969357 /nfs/dbraw/zinc/96/93/57/463969357.db2.gz RNAWGTJLYKTAFM-SNVBAGLBSA-N 1 0 327.768 2.155 20 5 EEBDRO COC(=O)c1cc(C)nc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000287772171 463996080 /nfs/dbraw/zinc/99/60/80/463996080.db2.gz IAGWAHGMIXCDOB-QWRGUYRKSA-N 1 0 334.376 2.122 20 5 EEBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269643066 464044693 /nfs/dbraw/zinc/04/46/93/464044693.db2.gz JTPHYUHAOMIKIN-WMLDXEAASA-N 1 0 349.431 2.257 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000186736011 464061495 /nfs/dbraw/zinc/06/14/95/464061495.db2.gz AFJALNOEVFZPJC-YOEHRIQHSA-N 1 0 349.434 2.269 20 5 EEBDRO COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000591015730 468392328 /nfs/dbraw/zinc/39/23/28/468392328.db2.gz KBFPLNJXVSZZQV-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCOC)cc1[N+](=O)[O-] ZINC000179424065 464133097 /nfs/dbraw/zinc/13/30/97/464133097.db2.gz MTOFKXCGFRGSSO-WBMJQRKESA-N 1 0 326.393 2.432 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291992259 464164766 /nfs/dbraw/zinc/16/47/66/464164766.db2.gz WXRMRMDHZYWSEP-LBPRGKRZSA-N 1 0 330.331 2.313 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237190261 464280014 /nfs/dbraw/zinc/28/00/14/464280014.db2.gz NSYGUTKCRJOLCN-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237287056 464297193 /nfs/dbraw/zinc/29/71/93/464297193.db2.gz XRNHVHGUWUCIST-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264453260 464332970 /nfs/dbraw/zinc/33/29/70/464332970.db2.gz DAHZJEANBMQJFK-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237567031 464340806 /nfs/dbraw/zinc/34/08/06/464340806.db2.gz PRVFETFDKMFQKR-BLLLJJGKSA-N 1 0 343.387 2.122 20 5 EEBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCCO2 ZINC000180615131 464348735 /nfs/dbraw/zinc/34/87/35/464348735.db2.gz ZAKHYNGNAOBIMG-ZDUSSCGKSA-N 1 0 332.360 2.303 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000237631028 464353580 /nfs/dbraw/zinc/35/35/80/464353580.db2.gz MOASBUSGFWMPCC-NRFANRHFSA-N 1 0 349.434 2.398 20 5 EEBDRO C[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000237630786 464354411 /nfs/dbraw/zinc/35/44/11/464354411.db2.gz ADSJOBRLRHCOPH-KGLIPLIRSA-N 1 0 334.420 2.149 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292842176 464360862 /nfs/dbraw/zinc/36/08/62/464360862.db2.gz BGBXJPCYWWNNHX-KDOFPFPSSA-N 1 0 346.431 2.340 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264534175 464363091 /nfs/dbraw/zinc/36/30/91/464363091.db2.gz KZWFZSXRYQPMPO-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000284993198 464418215 /nfs/dbraw/zinc/41/82/15/464418215.db2.gz APFVQSKCGBEIQI-CQSZACIVSA-N 1 0 331.376 2.131 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264677882 464418903 /nfs/dbraw/zinc/41/89/03/464418903.db2.gz YPPVVSJVHXVCLV-AWEZNQCLSA-N 1 0 346.431 2.387 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(O)CCOCC3)o2)c1 ZINC000238144272 464435870 /nfs/dbraw/zinc/43/58/70/464435870.db2.gz VUFGTUTZVICLQV-UHFFFAOYSA-N 1 0 332.356 2.486 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285295747 464513772 /nfs/dbraw/zinc/51/37/72/464513772.db2.gz UESGWPFEQSIKNQ-UHFFFAOYSA-N 1 0 349.416 2.021 20 5 EEBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000245947433 464529650 /nfs/dbraw/zinc/52/96/50/464529650.db2.gz RZFNHBORBBDEAE-LALPHHSUSA-N 1 0 331.372 2.205 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000272293762 464552110 /nfs/dbraw/zinc/55/21/10/464552110.db2.gz BVSZEYUSXRNRRS-ZIAGYGMSSA-N 1 0 338.433 2.413 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000182177051 464591181 /nfs/dbraw/zinc/59/11/81/464591181.db2.gz UTIOOHCYPUYEIP-NSHDSACASA-N 1 0 337.401 2.316 20 5 EEBDRO C[N@H+](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000272418943 464602306 /nfs/dbraw/zinc/60/23/06/464602306.db2.gz MHJQADANLFCBMV-UHFFFAOYSA-N 1 0 340.811 2.184 20 5 EEBDRO CC(C)c1nnc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000294818351 464614373 /nfs/dbraw/zinc/61/43/73/464614373.db2.gz OQNQUYSQQPJFSS-NSHDSACASA-N 1 0 346.391 2.343 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000182268896 464616378 /nfs/dbraw/zinc/61/63/78/464616378.db2.gz HHRRSHONGVOLDF-MRXNPFEDSA-N 1 0 343.383 2.394 20 5 EEBDRO CC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000190560181 464675985 /nfs/dbraw/zinc/67/59/85/464675985.db2.gz SKHLGWBYRAQLCO-CYBMUJFWSA-N 1 0 338.404 2.224 20 5 EEBDRO Cc1cc(N2CCCN(C(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272891946 464693359 /nfs/dbraw/zinc/69/33/59/464693359.db2.gz XZBOLJLMHSGAGU-UHFFFAOYSA-N 1 0 329.360 2.042 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285895574 464734525 /nfs/dbraw/zinc/73/45/25/464734525.db2.gz KDEYTRZDLYAKGK-PBHICJAKSA-N 1 0 349.431 2.289 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282209977 464736292 /nfs/dbraw/zinc/73/62/92/464736292.db2.gz JBGUKDVLOUEXCM-OAHLLOKOSA-N 1 0 349.431 2.290 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593881927 468418754 /nfs/dbraw/zinc/41/87/54/468418754.db2.gz AOALRRJEDSGMIO-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000275009569 464762038 /nfs/dbraw/zinc/76/20/38/464762038.db2.gz FQIRJFXMXQUZEY-SOUVJXGZSA-N 1 0 334.420 2.376 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000295419891 464824962 /nfs/dbraw/zinc/82/49/62/464824962.db2.gz XZUOBJMLKYHHGH-HUUCEWRRSA-N 1 0 335.404 2.084 20 5 EEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000282667380 464903557 /nfs/dbraw/zinc/90/35/57/464903557.db2.gz IXWUUIKEXRFOKP-BWACUDIHSA-N 1 0 349.387 2.053 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187748 464963868 /nfs/dbraw/zinc/96/38/68/464963868.db2.gz UZDMYTROBJCUCU-SWLSCSKDSA-N 1 0 332.404 2.219 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286653655 464994131 /nfs/dbraw/zinc/99/41/31/464994131.db2.gz BVELPZPWZVLDSI-UONOGXRCSA-N 1 0 333.388 2.059 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193022260 465023327 /nfs/dbraw/zinc/02/33/27/465023327.db2.gz PDXZLSYGJIDVGA-CZUORRHYSA-N 1 0 332.404 2.366 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000599992555 468430790 /nfs/dbraw/zinc/43/07/90/468430790.db2.gz VWHHPEYXQGOJBK-JYAVWHMHSA-N 1 0 335.379 2.030 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356757221 465523113 /nfs/dbraw/zinc/52/31/13/465523113.db2.gz CBBGIVSQSASWRT-LBPRGKRZSA-N 1 0 332.404 2.464 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000339860006 465554816 /nfs/dbraw/zinc/55/48/16/465554816.db2.gz QYMAXUWFFUGDIB-UONOGXRCSA-N 1 0 348.403 2.029 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348371819 465571565 /nfs/dbraw/zinc/57/15/65/465571565.db2.gz XUJXOWHMZYINGE-UHFFFAOYSA-N 1 0 331.376 2.097 20 5 EEBDRO Cn1cc(C[NH2+]C[C@H](CO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353075736 465617544 /nfs/dbraw/zinc/61/75/44/465617544.db2.gz ZBJYNPVPPZABPH-OAHLLOKOSA-N 1 0 330.388 2.103 20 5 EEBDRO C[N@@H+]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000371275992 465682907 /nfs/dbraw/zinc/68/29/07/465682907.db2.gz RKOCCRDZRAEDDO-ZIAGYGMSSA-N 1 0 331.397 2.484 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330606216 465728481 /nfs/dbraw/zinc/72/84/81/465728481.db2.gz ZTQYBSDSVHMJGL-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO COc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000357141645 465806845 /nfs/dbraw/zinc/80/68/45/465806845.db2.gz IGIOMFUJJGWUIM-CYBMUJFWSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000600092993 468455815 /nfs/dbraw/zinc/45/58/15/468455815.db2.gz ZYWYSRHXNDMFRH-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301746604 466022640 /nfs/dbraw/zinc/02/26/40/466022640.db2.gz QADMZXPFYOZOKU-GFCCVEGCSA-N 1 0 328.800 2.412 20 5 EEBDRO C[C@@H](CO)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361496183 466046313 /nfs/dbraw/zinc/04/63/13/466046313.db2.gz JPYUMPBYKREKJX-ZDUSSCGKSA-N 1 0 335.404 2.041 20 5 EEBDRO O=C([C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000331374780 466054282 /nfs/dbraw/zinc/05/42/82/466054282.db2.gz KIAABOKMNMZPAD-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346336023 466085888 /nfs/dbraw/zinc/08/58/88/466085888.db2.gz PKEZPCMUBWTZAM-XKQJLSEDSA-N 1 0 342.399 2.198 20 5 EEBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302169819 466109771 /nfs/dbraw/zinc/10/97/71/466109771.db2.gz LMZBVTSLHDRJJF-UHFFFAOYSA-N 1 0 328.372 2.319 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340489437 466125214 /nfs/dbraw/zinc/12/52/14/466125214.db2.gz NCVREHAYDIUCKX-LSDHHAIUSA-N 1 0 330.392 2.206 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@](F)(CO)C3)o2)c1 ZINC000338590180 466241812 /nfs/dbraw/zinc/24/18/12/466241812.db2.gz DMMCCDZBZRAVNR-MRXNPFEDSA-N 1 0 335.335 2.199 20 5 EEBDRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305032228 466326661 /nfs/dbraw/zinc/32/66/61/466326661.db2.gz ASPZLLKVFILPJC-MRXNPFEDSA-N 1 0 332.404 2.453 20 5 EEBDRO CN(c1ccccc1)c1ccc(C[NH+](CCO)CCO)cc1[N+](=O)[O-] ZINC000600178741 468486226 /nfs/dbraw/zinc/48/62/26/468486226.db2.gz FJIYYJMWRKLQHA-UHFFFAOYSA-N 1 0 345.399 2.149 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000305455946 466410493 /nfs/dbraw/zinc/41/04/93/466410493.db2.gz TVVACTIQJMHLRA-MLGOLLRUSA-N 1 0 335.404 2.325 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332188832 466435423 /nfs/dbraw/zinc/43/54/23/466435423.db2.gz BVRTWTZZASBNQV-CHWSQXEVSA-N 1 0 335.404 2.376 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347265764 466521144 /nfs/dbraw/zinc/52/11/44/466521144.db2.gz BOEOSGCKEAVHGL-LSDHHAIUSA-N 1 0 346.431 2.400 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000338961294 466525526 /nfs/dbraw/zinc/52/55/26/466525526.db2.gz LPMAROMHFLVTAV-UHFFFAOYSA-N 1 0 334.294 2.245 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368380393 466616207 /nfs/dbraw/zinc/61/62/07/466616207.db2.gz WFHJKOFCHPDOAR-BXUZGUMPSA-N 1 0 335.429 2.334 20 5 EEBDRO CC(C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000323750044 466640617 /nfs/dbraw/zinc/64/06/17/466640617.db2.gz SDUUMDJZHVFWFG-ZDUSSCGKSA-N 1 0 341.843 2.327 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363935977 466660732 /nfs/dbraw/zinc/66/07/32/466660732.db2.gz CXXZXYYDHZILSG-NEPJUHHUSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377152 466732382 /nfs/dbraw/zinc/73/23/82/466732382.db2.gz JXNBMIRZQLACMM-IVMMDQJWSA-N 1 0 329.404 2.148 20 5 EEBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377156 466732430 /nfs/dbraw/zinc/73/24/30/466732430.db2.gz JXNBMIRZQLACMM-XPKDYRNWSA-N 1 0 329.404 2.148 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC(C)(C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423683420 466802353 /nfs/dbraw/zinc/80/23/53/466802353.db2.gz PIQHRVWHFLNPDE-UHFFFAOYSA-N 1 0 337.376 2.019 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423944912 466923770 /nfs/dbraw/zinc/92/37/70/466923770.db2.gz SLXZVRRUIVWXAT-OAHLLOKOSA-N 1 0 332.404 2.416 20 5 EEBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423959239 466928909 /nfs/dbraw/zinc/92/89/09/466928909.db2.gz BRPXTMODWZLIAT-DLBZAZTESA-N 1 0 325.368 2.389 20 5 EEBDRO COc1cc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000424225205 467008148 /nfs/dbraw/zinc/00/81/48/467008148.db2.gz PNRFABCAAHPJBY-LBPRGKRZSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186949 467034668 /nfs/dbraw/zinc/03/46/68/467034668.db2.gz TWMZBRMYOGDVBN-BEMMVCDISA-N 1 0 329.400 2.297 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370990036 467065708 /nfs/dbraw/zinc/06/57/08/467065708.db2.gz BIOSROJRLFSFII-UONOGXRCSA-N 1 0 333.388 2.282 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000418615814 467136148 /nfs/dbraw/zinc/13/61/48/467136148.db2.gz YICHDADMDAHZDO-TZMCWYRMSA-N 1 0 332.404 2.409 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451080273 467241916 /nfs/dbraw/zinc/24/19/16/467241916.db2.gz BNFNLKVTDGKDKQ-KBPBESRZSA-N 1 0 346.431 2.338 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452036203 467309870 /nfs/dbraw/zinc/30/98/70/467309870.db2.gz PIZKSJSDVAUFMK-NVXWUHKLSA-N 1 0 347.415 2.421 20 5 EEBDRO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420271304 467333336 /nfs/dbraw/zinc/33/33/36/467333336.db2.gz HLPSRBOBRNJMCX-JSGCOSHPSA-N 1 0 327.388 2.321 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452973708 467449179 /nfs/dbraw/zinc/44/91/79/467449179.db2.gz KLRURWQPCHIQLF-YQQAZPJKSA-N 1 0 331.416 2.326 20 5 EEBDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)c([N+](=O)[O-])cc1OC ZINC000435731685 467491605 /nfs/dbraw/zinc/49/16/05/467491605.db2.gz LEZJXKJHOLFVLR-HSZRJFAPSA-N 1 0 342.417 2.003 20 5 EEBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000408041735 467499051 /nfs/dbraw/zinc/49/90/51/467499051.db2.gz OESWCPYFLCIPDG-QWHCGFSZSA-N 1 0 341.433 2.006 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431498299 467520370 /nfs/dbraw/zinc/52/03/70/467520370.db2.gz ZLUIQDQJVWMNDH-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000449233560 467625112 /nfs/dbraw/zinc/62/51/12/467625112.db2.gz MDSZNZKPZIFEFF-TZMCWYRMSA-N 1 0 326.418 2.083 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449698870 467693971 /nfs/dbraw/zinc/69/39/71/467693971.db2.gz PNNCJTLGHLGDFT-HNNXBMFYSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000450245615 467808178 /nfs/dbraw/zinc/80/81/78/467808178.db2.gz SEMNWNHHXZRLBS-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EEBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450259963 467811000 /nfs/dbraw/zinc/81/10/00/467811000.db2.gz YWJLZKLSRKHBPY-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690130 467964931 /nfs/dbraw/zinc/96/49/31/467964931.db2.gz YQZAUMCCHXFPGZ-MJEQTWJJSA-N 1 0 335.404 2.371 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493752783 467976587 /nfs/dbraw/zinc/97/65/87/467976587.db2.gz ITMFBYJVTPSYAU-FPLPWBNLSA-N 1 0 347.415 2.177 20 5 EEBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCC(C)CC1 ZINC000515201821 467978913 /nfs/dbraw/zinc/97/89/13/467978913.db2.gz AKNVIWWBFJTQHP-INIZCTEOSA-N 1 0 336.436 2.420 20 5 EEBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000486793303 468012302 /nfs/dbraw/zinc/01/23/02/468012302.db2.gz ASLFWHFAIKLBJJ-ARTVWEGUSA-N 1 0 328.372 2.461 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494281782 468042017 /nfs/dbraw/zinc/04/20/17/468042017.db2.gz ICTGAGGONQWRMW-BDJLRTHQSA-N 1 0 337.376 2.089 20 5 EEBDRO C/C(=C\c1ccccc1)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293605 468042607 /nfs/dbraw/zinc/04/26/07/468042607.db2.gz QSURMQISDSBHPZ-LEHPZIBWSA-N 1 0 330.388 2.188 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567841541 468221080 /nfs/dbraw/zinc/22/10/80/468221080.db2.gz HLOXGOSCYSRFMO-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520218925 468235147 /nfs/dbraw/zinc/23/51/47/468235147.db2.gz IJFRWBRHZDFULO-DZGCQCFKSA-N 1 0 348.403 2.357 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590404360 468247066 /nfs/dbraw/zinc/24/70/66/468247066.db2.gz ZRHDDRKVFRIYFJ-BONVTDFDSA-N 1 0 344.371 2.013 20 5 EEBDRO CCC1(O)CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591758214 468515134 /nfs/dbraw/zinc/51/51/34/468515134.db2.gz DJBYDNJMQFLRFW-GULBITTBSA-N 1 0 338.404 2.008 20 5 EEBDRO CCCOc1cc(C)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591753974 468515194 /nfs/dbraw/zinc/51/51/94/468515194.db2.gz ZBYHRIOHSBAKLU-MRXNPFEDSA-N 1 0 348.403 2.039 20 5 EEBDRO C[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000569841030 468552141 /nfs/dbraw/zinc/55/21/41/468552141.db2.gz MZUBUCZFYXHNFG-KBPBESRZSA-N 1 0 335.404 2.116 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253731 468665344 /nfs/dbraw/zinc/66/53/44/468665344.db2.gz MTZKVCBUWVKNMM-CVEARBPZSA-N 1 0 331.416 2.376 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255723 468665873 /nfs/dbraw/zinc/66/58/73/468665873.db2.gz QQJMOHRUADHJJJ-JKSUJKDBSA-N 1 0 331.416 2.376 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592256341 468665894 /nfs/dbraw/zinc/66/58/94/468665894.db2.gz YCXDVWZUWUYGOR-GJZGRUSLSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000583481122 468703368 /nfs/dbraw/zinc/70/33/68/468703368.db2.gz OQEJYBUDZFZXIM-AWEZNQCLSA-N 1 0 335.404 2.453 20 5 EEBDRO CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000592488002 468709660 /nfs/dbraw/zinc/70/96/60/468709660.db2.gz FGQAUZIPWJQJAZ-MFKMUULPSA-N 1 0 340.811 2.246 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H]3CNc4ccnn4C3)c2c1 ZINC000592513857 468717809 /nfs/dbraw/zinc/71/78/09/468717809.db2.gz QGNUOCXXABOQSG-LBPRGKRZSA-N 1 0 340.387 2.147 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])c1C ZINC000592568324 468732011 /nfs/dbraw/zinc/73/20/11/468732011.db2.gz MRNYBKARALBOSY-CYBMUJFWSA-N 1 0 333.388 2.316 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595346936 468818905 /nfs/dbraw/zinc/81/89/05/468818905.db2.gz YMUXFNQSHNFHSV-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)O[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053204 468852240 /nfs/dbraw/zinc/85/22/40/468852240.db2.gz QENYCUQXQWEFGN-RDJZCZTQSA-N 1 0 338.404 2.224 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000601439686 468875038 /nfs/dbraw/zinc/87/50/38/468875038.db2.gz IRNMNKPXDPEYHR-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO COCC1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000595498615 468876938 /nfs/dbraw/zinc/87/69/38/468876938.db2.gz GUJHRGQRVLASII-UHFFFAOYSA-N 1 0 328.340 2.028 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521861 468887462 /nfs/dbraw/zinc/88/74/62/468887462.db2.gz FXDSCXQLLXMSFW-AEFFLSMTSA-N 1 0 335.448 2.475 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595637605 468933836 /nfs/dbraw/zinc/93/38/36/468933836.db2.gz SCEUOZQXFWTEDQ-JFILPPLUSA-N 1 0 333.388 2.015 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593321884 468938531 /nfs/dbraw/zinc/93/85/31/468938531.db2.gz JGXRPZNMVUYDFJ-KRWDZBQOSA-N 1 0 343.431 2.397 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598632047 468939905 /nfs/dbraw/zinc/93/99/05/468939905.db2.gz ZBFYJLQNDUVFRJ-OLZOCXBDSA-N 1 0 334.376 2.205 20 5 EEBDRO Cc1ccccc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572631524 468962022 /nfs/dbraw/zinc/96/20/22/468962022.db2.gz XVFYNZLKQXSQCO-MRXNPFEDSA-N 1 0 330.384 2.475 20 5 EEBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586771823 469062250 /nfs/dbraw/zinc/06/22/50/469062250.db2.gz QGADCRQXGOMBAY-HNNXBMFYSA-N 1 0 343.387 2.275 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000602797654 469082068 /nfs/dbraw/zinc/08/20/68/469082068.db2.gz NPEUSLGDMKTSKT-GDBMZVCRSA-N 1 0 333.436 2.048 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000602845960 469113358 /nfs/dbraw/zinc/11/33/58/469113358.db2.gz NWAJMRZQFJVWKW-MRXNPFEDSA-N 1 0 334.420 2.381 20 5 EEBDRO Nc1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1[N+](=O)[O-] ZINC000596100926 469154609 /nfs/dbraw/zinc/15/46/09/469154609.db2.gz DPEAGYBMYIPSDK-GFCCVEGCSA-N 1 0 347.444 2.958 20 5 EEBDRO NC(=O)c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596133602 469170703 /nfs/dbraw/zinc/17/07/03/469170703.db2.gz INMUUZFWQZZDQG-ZDUSSCGKSA-N 1 0 332.404 2.148 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC000611336515 469230379 /nfs/dbraw/zinc/23/03/79/469230379.db2.gz QHHARGWJPCBKJL-CQSZACIVSA-N 1 0 328.376 2.027 20 5 EEBDRO Cc1c(Br)c(NCC[C@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596431013 469264752 /nfs/dbraw/zinc/26/47/52/469264752.db2.gz MHRZUYBOERVXIO-QMMMGPOBSA-N 1 0 331.214 2.813 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486155 469337172 /nfs/dbraw/zinc/33/71/72/469337172.db2.gz CFFKYRJFNJCLEN-IUCAKERBSA-N 1 0 342.193 2.357 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602526246 469349996 /nfs/dbraw/zinc/34/99/96/469349996.db2.gz GHUVOMHNUQVTNB-CQSZACIVSA-N 1 0 325.796 2.247 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOC[C@@H]3CCOC3)nc2c1 ZINC000602558273 469360084 /nfs/dbraw/zinc/36/00/84/469360084.db2.gz KKLFQUDSRDUYCP-LBPRGKRZSA-N 1 0 335.360 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)nc2c1 ZINC000602580882 469369730 /nfs/dbraw/zinc/36/97/30/469369730.db2.gz DYHYVYYNWMHNRN-BZNIZROVSA-N 1 0 333.344 2.164 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000602578555 469370129 /nfs/dbraw/zinc/37/01/29/469370129.db2.gz YOYHVDPSVVQFFA-YGRLFVJLSA-N 1 0 347.337 2.422 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596841008 469378533 /nfs/dbraw/zinc/37/85/33/469378533.db2.gz CKQBPDGRVYCYRM-HNNXBMFYSA-N 1 0 348.403 2.278 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000603848402 469436494 /nfs/dbraw/zinc/43/64/94/469436494.db2.gz SADVLJOQYZKQOD-INIZCTEOSA-N 1 0 349.431 2.160 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604533311 469487718 /nfs/dbraw/zinc/48/77/18/469487718.db2.gz RVXWDVLSYJTZPF-CQSZACIVSA-N 1 0 334.420 2.243 20 5 EEBDRO CCn1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000616786417 469502089 /nfs/dbraw/zinc/50/20/89/469502089.db2.gz YNVZAKUVRFTWFR-OAHLLOKOSA-N 1 0 333.388 2.288 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCN(c3cc[nH+]cc3)CC1)CCN2 ZINC000618150472 469906386 /nfs/dbraw/zinc/90/63/86/469906386.db2.gz HBUIIUZWQUPDNH-UHFFFAOYSA-N 1 0 325.372 2.284 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609878680 469968465 /nfs/dbraw/zinc/96/84/65/469968465.db2.gz ZPVAEOAJKHIFPF-CQSZACIVSA-N 1 0 335.404 2.137 20 5 EEBDRO C[C@]1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]C1 ZINC000663008103 472326476 /nfs/dbraw/zinc/32/64/76/472326476.db2.gz JNAHHUBACRFRFV-FQEVSTJZSA-N 1 0 335.407 2.023 20 5 EEBDRO NC(=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182059854 534353105 /nfs/dbraw/zinc/35/31/05/534353105.db2.gz LLTCFLWCNVRKHB-INIZCTEOSA-N 1 0 335.404 2.388 20 5 EEBDRO O=C(c1ccccc1)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420242878 534746818 /nfs/dbraw/zinc/74/68/18/534746818.db2.gz NJRXUPNALZQJMN-IYBDPMFKSA-N 1 0 337.379 2.481 20 5 EEBDRO CCC1(CC)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)[C@@H]1OC ZINC000191399060 529093735 /nfs/dbraw/zinc/09/37/35/529093735.db2.gz VJEIVHASTCTOQL-KCXAZCMYSA-N 1 0 337.420 2.186 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423662061 535428343 /nfs/dbraw/zinc/42/83/43/535428343.db2.gz MLAYGJSBCKJURZ-JOCQHMNTSA-N 1 0 335.404 2.488 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000772236094 577258443 /nfs/dbraw/zinc/25/84/43/577258443.db2.gz KWAWRARGTRAPHL-UHFFFAOYSA-N 1 0 346.181 2.251 20 5 EEBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000774626280 577407321 /nfs/dbraw/zinc/40/73/21/577407321.db2.gz SYCVMTBWQRWMOB-IUODEOHRSA-N 1 0 346.387 2.441 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000776275733 577456391 /nfs/dbraw/zinc/45/63/91/577456391.db2.gz KWMMUIQPLIBEIE-CVEARBPZSA-N 1 0 344.367 2.400 20 5 EEBDRO Cc1cccc(NCC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000769401100 577577039 /nfs/dbraw/zinc/57/70/39/577577039.db2.gz NCRHGVMGRMJBMS-UHFFFAOYSA-N 1 0 344.371 2.271 20 5 EEBDRO CCN(C(=O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754250641 577803067 /nfs/dbraw/zinc/80/30/67/577803067.db2.gz LFWULZPUTXNDRS-QGZVFWFLSA-N 1 0 343.383 2.271 20 5 EEBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000754383445 577805479 /nfs/dbraw/zinc/80/54/79/577805479.db2.gz KHQWXUUPIBWORE-LBPRGKRZSA-N 1 0 335.385 2.308 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000743639567 577888281 /nfs/dbraw/zinc/88/82/81/577888281.db2.gz WGVBSLCZIZECLI-JOYOIKCWSA-N 1 0 336.348 2.024 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCn2cnc3ccccc32)c1 ZINC000749683676 577979860 /nfs/dbraw/zinc/97/98/60/577979860.db2.gz QJQIHRZHFWAIFO-KRWDZBQOSA-N 1 0 326.356 2.268 20 5 EEBDRO C[NH+](C)CCn1nnnc1SCc1cc([N+](=O)[O-])ccc1Cl ZINC000735414653 578151457 /nfs/dbraw/zinc/15/14/57/578151457.db2.gz QSVAYTOWGCTGKC-UHFFFAOYSA-N 1 0 342.812 2.089 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000821818657 599409509 /nfs/dbraw/zinc/40/95/09/599409509.db2.gz WTCJUWVROYTMIW-UHFFFAOYSA-N 1 0 340.343 2.073 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1SC ZINC000261774422 676408041 /nfs/dbraw/zinc/40/80/41/676408041.db2.gz FUFFWXYQDHEJHZ-OAHLLOKOSA-N 1 0 339.417 2.136 20 5 EEBDRO Cc1ocnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021876997 676531577 /nfs/dbraw/zinc/53/15/77/676531577.db2.gz IGGOXCSVNHVUIN-PHIMTYICSA-N 1 0 336.373 2.003 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022049118 676617103 /nfs/dbraw/zinc/61/71/03/676617103.db2.gz QIIGGKFCXLISOH-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(Cc1cncs1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022239798 676756687 /nfs/dbraw/zinc/75/66/87/676756687.db2.gz OYHVGVZLCUMVQA-BETUJISGSA-N 1 0 346.412 2.031 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001022882552 678713117 /nfs/dbraw/zinc/71/31/17/678713117.db2.gz SGDPXVWZDWYZEM-BETUJISGSA-N 1 0 345.355 2.247 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000892324698 678809710 /nfs/dbraw/zinc/80/97/10/678809710.db2.gz BVWXJQFYVKQUOP-HNNXBMFYSA-N 1 0 329.404 2.305 20 5 EEBDRO CN(c1ccc([N+](=O)[O-])cc1Br)C1(C[NH3+])CCOCC1 ZINC000725018895 679401685 /nfs/dbraw/zinc/40/16/85/679401685.db2.gz UGCSNABEOFKONU-UHFFFAOYSA-N 1 0 344.209 2.301 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000892521551 681519439 /nfs/dbraw/zinc/51/94/39/681519439.db2.gz XRBLSABBDMBPHK-CYBMUJFWSA-N 1 0 335.404 2.468 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000840884528 681931520 /nfs/dbraw/zinc/93/15/20/681931520.db2.gz QHWKPEWGKJRXFF-OAHLLOKOSA-N 1 0 338.429 2.484 20 5 EEBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895316428 684481861 /nfs/dbraw/zinc/48/18/61/684481861.db2.gz JDHIRMSKQGAIPD-OAHLLOKOSA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1ocnc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990153749 692701444 /nfs/dbraw/zinc/70/14/44/692701444.db2.gz SEYZXCUCLIKUIR-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905256741 694582016 /nfs/dbraw/zinc/58/20/16/694582016.db2.gz QSHXBIQEJBOHHW-HNNXBMFYSA-N 1 0 335.404 2.387 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001105604197 1188269703 /nfs/dbraw/zinc/26/97/03/1188269703.db2.gz LUDRKWJBMFLGFW-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000905564060 1189778214 /nfs/dbraw/zinc/77/82/14/1189778214.db2.gz JWLQDXGEITZSAC-UONOGXRCSA-N 1 0 347.337 2.245 20 5 EEBDRO O=C(NCc1ccc(C[NH2+]Cc2ccsc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816476 1196771939 /nfs/dbraw/zinc/77/19/39/1196771939.db2.gz PDRVJTKVJLEOHH-HZPDHXFCSA-N 1 0 345.424 2.319 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000872037930 1198033324 /nfs/dbraw/zinc/03/33/24/1198033324.db2.gz HDVLEMWPYNZWTR-IINYFYTJSA-N 1 0 336.417 2.434 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000873887369 1198730105 /nfs/dbraw/zinc/73/01/05/1198730105.db2.gz DHTKEQCHSBIMOO-ZIAGYGMSSA-N 1 0 349.431 2.441 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+](C2CCC2)C1 ZINC000813630289 1199110154 /nfs/dbraw/zinc/11/01/54/1199110154.db2.gz JYLKOZFZNJQHTD-NSHDSACASA-N 1 0 331.376 2.442 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nccc2[nH]ccc21 ZINC001134011341 1199245502 /nfs/dbraw/zinc/24/55/02/1199245502.db2.gz YCAYOZFWLPKQTR-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(CCS(C)(=O)=O)C(C)C ZINC000876773670 1199767687 /nfs/dbraw/zinc/76/76/87/1199767687.db2.gz VDLRJJHIQCWTRM-UHFFFAOYSA-N 1 0 328.434 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346015 1199909162 /nfs/dbraw/zinc/90/91/62/1199909162.db2.gz NEDXSMMQKZGODX-CQSZACIVSA-N 1 0 341.367 2.048 20 5 EEBDRO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[N@H+]1C ZINC000878654851 1200601741 /nfs/dbraw/zinc/60/17/41/1200601741.db2.gz YLMVBBWNCBNHDS-TXEJJXNPSA-N 1 0 331.376 2.169 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000879917158 1201308856 /nfs/dbraw/zinc/30/88/56/1201308856.db2.gz BBPJXUBEPJBZIZ-UHFFFAOYSA-N 1 0 347.415 2.484 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](CF)C1 ZINC000880293971 1201449051 /nfs/dbraw/zinc/44/90/51/1201449051.db2.gz GKVFFYGZHQYGDH-MNOVXSKESA-N 1 0 325.340 2.222 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000866261443 1201479160 /nfs/dbraw/zinc/47/91/60/1201479160.db2.gz TWIGDAVPOLVMIX-UHOFOFEASA-N 1 0 337.395 2.118 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH3+])CC2)c1C ZINC000884042220 1202208302 /nfs/dbraw/zinc/20/83/02/1202208302.db2.gz SXYIJKZVMYRUMN-UHFFFAOYSA-N 1 0 335.404 2.182 20 5 EEBDRO CC[NH+](CC)CCCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000800136735 1202211711 /nfs/dbraw/zinc/21/17/11/1202211711.db2.gz WSCAQXFWUCGESB-UHFFFAOYSA-N 1 0 334.376 2.220 20 5 EEBDRO C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929218236 1206457066 /nfs/dbraw/zinc/45/70/66/1206457066.db2.gz QPYVMLZYKKETEJ-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930523177 1206564522 /nfs/dbraw/zinc/56/45/22/1206564522.db2.gz MOYHDGOGBWQSHE-AWEZNQCLSA-N 1 0 327.425 2.232 20 5 EEBDRO CSCC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000932593660 1207633168 /nfs/dbraw/zinc/63/31/68/1207633168.db2.gz YTTACFPPADPLEE-OAHLLOKOSA-N 1 0 340.445 2.410 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)C ZINC000778276443 1208054017 /nfs/dbraw/zinc/05/40/17/1208054017.db2.gz RGBVBXOGFGIUSO-UHFFFAOYSA-N 1 0 337.405 2.060 20 5 EEBDRO O=C(NCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001111310281 1210112926 /nfs/dbraw/zinc/11/29/26/1210112926.db2.gz UXJWXRVKPRWYGB-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000795695806 1214959356 /nfs/dbraw/zinc/95/93/56/1214959356.db2.gz LYJZVIOSZLSQIN-IKGGRYGDSA-N 1 0 328.372 2.253 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795700433 1214982093 /nfs/dbraw/zinc/98/20/93/1214982093.db2.gz BUOGNMUZHMOTPF-GXTWGEPZSA-N 1 0 346.387 2.019 20 5 EEBDRO Cc1cc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cs1 ZINC000963791879 1218041249 /nfs/dbraw/zinc/04/12/49/1218041249.db2.gz SVBNUYZBDYFKLQ-KDUKZITGSA-N 1 0 349.456 2.239 20 5 EEBDRO COC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000796500502 1220043341 /nfs/dbraw/zinc/04/33/41/1220043341.db2.gz NTYRZKHMXOYSLD-UHFFFAOYSA-N 1 0 325.340 2.302 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC(F)(F)C1 ZINC001020058391 1229463595 /nfs/dbraw/zinc/46/35/95/1229463595.db2.gz FMNSMYJGVWSNMJ-JOCQHMNTSA-N 1 0 339.342 2.377 20 5 EEBDRO C[C@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641244 1234597735 /nfs/dbraw/zinc/59/77/35/1234597735.db2.gz PZFVNJLTRMCRKW-ZETCQYMHSA-N 1 0 326.154 2.017 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801796426 1236203439 /nfs/dbraw/zinc/20/34/39/1236203439.db2.gz BLTDFSALKVSTHO-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000903341984 1240274621 /nfs/dbraw/zinc/27/46/21/1240274621.db2.gz ABVHYUVQEGJHCO-UONOGXRCSA-N 1 0 337.420 2.365 20 5 EEBDRO O=C(NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cocn1 ZINC001000517384 1240441074 /nfs/dbraw/zinc/44/10/74/1240441074.db2.gz HECVXJVJXVWDIL-UHFFFAOYSA-N 1 0 342.355 2.145 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097029996 1243638641 /nfs/dbraw/zinc/63/86/41/1243638641.db2.gz OWVQJMIKMKAJOJ-HAQNSBGRSA-N 1 0 338.383 2.135 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+](C)C ZINC000855414270 1293208231 /nfs/dbraw/zinc/20/82/31/1293208231.db2.gz XZSZBYLUPPDQBR-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766718 1293911430 /nfs/dbraw/zinc/91/14/30/1293911430.db2.gz VLFZOHFESLUGOV-NSHDSACASA-N 1 0 331.319 2.056 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000860447338 1294972365 /nfs/dbraw/zinc/97/23/65/1294972365.db2.gz JIHQMSUMCBKFGK-NEPJUHHUSA-N 1 0 343.836 2.366 20 5 EEBDRO COCCCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222482244 1299624186 /nfs/dbraw/zinc/62/41/86/1299624186.db2.gz PXLUPRXEZVDFRB-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1nc(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001101890329 1299991297 /nfs/dbraw/zinc/99/12/97/1299991297.db2.gz WVYVWZMMQZRNTL-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[C@H](C[N+](C)(C)C)OCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001223653675 1300210662 /nfs/dbraw/zinc/21/06/62/1300210662.db2.gz AEWIOMHKQDQIOB-GFCCVEGCSA-O 1 0 325.433 2.435 20 5 EEBDRO O=[N+]([O-])c1ccc(COC2CC[NH+](CCF)CC2)c([N+](=O)[O-])c1 ZINC001224096251 1300419259 /nfs/dbraw/zinc/41/92/59/1300419259.db2.gz LPGQPUDCLBZJHZ-UHFFFAOYSA-N 1 0 327.312 2.454 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(C)ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225683284 1301122407 /nfs/dbraw/zinc/12/24/07/1301122407.db2.gz QVHZZDGOBARROW-LBEHMCEESA-N 1 0 334.372 2.449 20 5 EEBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1Br ZINC001225753248 1301146401 /nfs/dbraw/zinc/14/64/01/1301146401.db2.gz RHWHYXVUASLVNQ-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO CCCCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227913385 1302006613 /nfs/dbraw/zinc/00/66/13/1302006613.db2.gz MYMBABXKUVEPEE-OAHLLOKOSA-N 1 0 338.424 2.006 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2nc3ccccc3nc21 ZINC001228520752 1302301894 /nfs/dbraw/zinc/30/18/94/1302301894.db2.gz FWGSSEAHEZPJJL-CYBMUJFWSA-N 1 0 340.403 2.146 20 5 EEBDRO C[NH+](C)CCCC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103458971 1302988458 /nfs/dbraw/zinc/98/84/58/1302988458.db2.gz RUOLMOXYMHPZPO-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CC(C)COC(=O)c1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(O)c1 ZINC001231250748 1303702614 /nfs/dbraw/zinc/70/26/14/1303702614.db2.gz MNGOWKDQOUURLY-LBPRGKRZSA-O 1 0 326.413 2.384 20 5 EEBDRO C[C@@]1(CO)C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232219496 1304041382 /nfs/dbraw/zinc/04/13/82/1304041382.db2.gz UTWUFQOKLKXBGE-PXNSSMCTSA-N 1 0 337.423 2.348 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782523426 1304079045 /nfs/dbraw/zinc/07/90/45/1304079045.db2.gz VUAFRJOVJNRQPN-GFCCVEGCSA-N 1 0 338.383 2.089 20 5 EEBDRO COC(=O)c1nc(-c2ccccc2)[nH]c(=O)c1O[C@H](C)C[N+](C)(C)C ZINC001234555478 1304966542 /nfs/dbraw/zinc/96/65/42/1304966542.db2.gz VDHFOPSVHWRWBF-GFCCVEGCSA-O 1 0 346.407 2.109 20 5 EEBDRO [NH3+][C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(F)(F)C1 ZINC001246574573 1310347385 /nfs/dbraw/zinc/34/73/85/1310347385.db2.gz NMMWQUBBRUCNBH-GFCCVEGCSA-N 1 0 340.374 2.232 20 5 EEBDRO CC[C@@H]1C[NH2+]CCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246801464 1310433715 /nfs/dbraw/zinc/43/37/15/1310433715.db2.gz FEFJLROOGBAFFL-NWDGAFQWSA-N 1 0 325.384 2.357 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831179951 1314578627 /nfs/dbraw/zinc/57/86/27/1314578627.db2.gz HVVRAIGGVYPWPW-CYBMUJFWSA-N 1 0 338.795 2.190 20 5 EEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831674814 1314606302 /nfs/dbraw/zinc/60/63/02/1314606302.db2.gz PHLXYZJJPQIXNU-OWCLPIDISA-N 1 0 336.388 2.340 20 5 EEBDRO COC(=O)[C@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840184281 1315320847 /nfs/dbraw/zinc/32/08/47/1315320847.db2.gz KFZRVIMKOLUTHZ-MRXNPFEDSA-N 1 0 332.360 2.177 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000841753875 1315608742 /nfs/dbraw/zinc/60/87/42/1315608742.db2.gz FXVJBLZHACLXKO-IAGOWNOFSA-N 1 0 330.388 2.419 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@H](c3cccnc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000842629906 1315739024 /nfs/dbraw/zinc/73/90/24/1315739024.db2.gz YYZRKZSCGYRYEX-AWEZNQCLSA-N 1 0 338.371 2.490 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@@H]([NH3+])c3ccccc3)n2)n1C ZINC000843223158 1315869574 /nfs/dbraw/zinc/86/95/74/1315869574.db2.gz YYMCXIUHYBQTIL-GFCCVEGCSA-N 1 0 342.359 2.319 20 5 EEBDRO C[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H]([NH3+])c1ccccc1 ZINC000843222451 1315870241 /nfs/dbraw/zinc/87/02/41/1315870241.db2.gz ILMOWVJHRXYGDF-GXSJLCMTSA-N 1 0 328.332 2.182 20 5 EEBDRO COc1ccccc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150176142 1316191633 /nfs/dbraw/zinc/19/16/33/1316191633.db2.gz NGZVSWRLIALZSW-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001152977828 1316752733 /nfs/dbraw/zinc/75/27/33/1316752733.db2.gz PSGSUHJBVQRQIG-OPTZYUCBSA-N 1 0 335.429 2.154 20 5 EEBDRO CS(=O)(=O)N(CC[NH3+])C(=O)c1c2ccccc2cc2ccccc21 ZINC001153489971 1316834955 /nfs/dbraw/zinc/83/49/55/1316834955.db2.gz XBZJPLTZSFPXKO-UHFFFAOYSA-N 1 0 342.420 2.354 20 5 EEBDRO N=C(NC(=O)c1cccc2nc3ccccc3nc21)SCC[NH3+] ZINC001153870524 1316905812 /nfs/dbraw/zinc/90/58/12/1316905812.db2.gz GIWNABJFFSXDCM-UHFFFAOYSA-N 1 0 325.397 2.139 20 5 EEBDRO O=C(COC1CCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155060379 1317438479 /nfs/dbraw/zinc/43/84/79/1317438479.db2.gz TVZJXNHGZSOEBN-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO C[C@@H]1CCCC[C@H]1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155072662 1317442626 /nfs/dbraw/zinc/44/26/26/1317442626.db2.gz LZKCDAIHFZNYEY-OLZOCXBDSA-N 1 0 334.424 2.033 20 5 EEBDRO Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155409879 1317585552 /nfs/dbraw/zinc/58/55/52/1317585552.db2.gz BLWFZNHLSRMJSE-MAUKXSAKSA-N 1 0 339.399 2.479 20 5 EEBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001155473890 1317612848 /nfs/dbraw/zinc/61/28/48/1317612848.db2.gz JMUXKUWLOHRXIY-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592044 1317663396 /nfs/dbraw/zinc/66/33/96/1317663396.db2.gz LSITUHYBLGSSCV-YGRLFVJLSA-N 1 0 326.784 2.214 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001253694724 1317916339 /nfs/dbraw/zinc/91/63/39/1317916339.db2.gz QSYFCFLBXYFLIM-HZPDHXFCSA-N 1 0 334.420 2.309 20 5 EEBDRO CC(=O)N[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478394 1318084301 /nfs/dbraw/zinc/08/43/01/1318084301.db2.gz AZHOHOHMDSWPCW-HNNXBMFYSA-N 1 0 346.431 2.164 20 5 EEBDRO COC(=O)C1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001254533235 1318111475 /nfs/dbraw/zinc/11/14/75/1318111475.db2.gz YMIHIWBKRLERQJ-CYBMUJFWSA-N 1 0 336.388 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OC3COC3)n1)C2 ZINC001254586158 1318133984 /nfs/dbraw/zinc/13/39/84/1318133984.db2.gz HUTLAJFQVXLWMI-HNNXBMFYSA-N 1 0 341.367 2.024 20 5 EEBDRO CCN1CCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1=O ZINC001254609871 1318143234 /nfs/dbraw/zinc/14/32/34/1318143234.db2.gz ZVBZMLGTHLDHTK-QGZVFWFLSA-N 1 0 343.427 2.396 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cocn3)CC2)ccc1[N+](=O)[O-] ZINC001256087124 1318644103 /nfs/dbraw/zinc/64/41/03/1318644103.db2.gz OYYJTUUOCWBXGB-UHFFFAOYSA-N 1 0 332.360 2.350 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@H]3C[C@@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087332 1318645015 /nfs/dbraw/zinc/64/50/15/1318645015.db2.gz WZRAYSATNUBVIW-QGGXVJLZSA-N 1 0 349.431 2.323 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H](C)C(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256091841 1318645413 /nfs/dbraw/zinc/64/54/13/1318645413.db2.gz FDVLEXFHUFIKML-GFCCVEGCSA-N 1 0 337.420 2.321 20 5 EEBDRO O=C(CCOCC1CC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157894205 1318920649 /nfs/dbraw/zinc/92/06/49/1318920649.db2.gz VGIPPMJGCZULFW-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO [NH3+][C@@H]1CCN(C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1 ZINC001158261898 1319122479 /nfs/dbraw/zinc/12/24/79/1319122479.db2.gz PDSKBVLMMAPMQZ-CYBMUJFWSA-N 1 0 341.415 2.145 20 5 EEBDRO CCOC(=O)C1(Nc2ncc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158568294 1319310871 /nfs/dbraw/zinc/31/08/71/1319310871.db2.gz AETWZHSAJBYCIV-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO CCc1ccnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001158683003 1319376154 /nfs/dbraw/zinc/37/61/54/1319376154.db2.gz JVHJOXIELVRYOS-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[NH2+]C4(CC4)C3)nn2)ccc1F ZINC001158943948 1319522326 /nfs/dbraw/zinc/52/23/26/1319522326.db2.gz DZFQQTZUXFQESC-UHFFFAOYSA-N 1 0 329.335 2.133 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccns1 ZINC001159113243 1319618953 /nfs/dbraw/zinc/61/89/53/1319618953.db2.gz GBGRXNBXIUMXFX-UHFFFAOYSA-N 1 0 326.403 2.023 20 5 EEBDRO CCC(=O)NCC1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001162031047 1320726574 /nfs/dbraw/zinc/72/65/74/1320726574.db2.gz BHHIUXRGLCCNMX-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(Oc2ncc(NC[C@@H]3C[C@H](F)C[NH2+]3)cn2)cc1 ZINC001162478351 1320869813 /nfs/dbraw/zinc/86/98/13/1320869813.db2.gz ZZJUSFSXKZPPOH-QWRGUYRKSA-N 1 0 333.323 2.289 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001162801728 1320962006 /nfs/dbraw/zinc/96/20/06/1320962006.db2.gz FYOORJVOOLAKGP-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO CSCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163303241 1321091839 /nfs/dbraw/zinc/09/18/39/1321091839.db2.gz CUVPOONVFLAYIT-UHFFFAOYSA-N 1 0 337.445 2.334 20 5 EEBDRO CCOC(=O)c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163328514 1321098992 /nfs/dbraw/zinc/09/89/92/1321098992.db2.gz QFUNUNHPFVYEJL-CXAGYDPISA-N 1 0 349.387 2.095 20 5 EEBDRO CC(C)OC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001163407107 1321117503 /nfs/dbraw/zinc/11/75/03/1321117503.db2.gz POVUCWDATZOOED-LBPRGKRZSA-N 1 0 339.392 2.287 20 5 EEBDRO COc1c(F)cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001163649710 1321181015 /nfs/dbraw/zinc/18/10/15/1321181015.db2.gz FGSJGALTDMHXNL-GOEBONIOSA-N 1 0 339.367 2.456 20 5 EEBDRO [NH3+][C@@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001164282312 1321338292 /nfs/dbraw/zinc/33/82/92/1321338292.db2.gz WBPZXBZKELQRNS-SECBINFHSA-N 1 0 337.177 2.443 20 5 EEBDRO Cc1nc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC001166991159 1321833108 /nfs/dbraw/zinc/83/31/08/1321833108.db2.gz JQKLSLVXJHDTRH-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO Cc1ccc(CC[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001205224033 1322319665 /nfs/dbraw/zinc/31/96/65/1322319665.db2.gz JSUPJOFORJZQCT-QZTJIDSGSA-N 1 0 345.443 2.031 20 5 EEBDRO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001263332891 1322462865 /nfs/dbraw/zinc/46/28/65/1322462865.db2.gz BERNTLWJHVQFMS-MRXNPFEDSA-N 1 0 334.420 2.387 20 5 EEBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000353405723 1323140330 /nfs/dbraw/zinc/14/03/30/1323140330.db2.gz WGTMFBZLKYQEDS-UHFFFAOYSA-N 1 0 340.383 2.251 20 5 EEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001308044793 1331559508 /nfs/dbraw/zinc/55/95/08/1331559508.db2.gz ZVTYSYQCRWKVNX-GUYCJALGSA-N 1 0 334.372 2.249 20 5 EEBDRO Cn1cc([C@@H]2C[C@H]2C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001308653613 1331600785 /nfs/dbraw/zinc/60/07/85/1331600785.db2.gz HWGFHBROGYEOBT-KBXCAEBGSA-N 1 0 341.415 2.254 20 5 EEBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC001320863727 1332968091 /nfs/dbraw/zinc/96/80/91/1332968091.db2.gz PYHKMCBWLFOQQR-UONOGXRCSA-N 1 0 346.391 2.177 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@@H]3CSCC[NH2+]3)c2c1 ZINC001331912715 1335672890 /nfs/dbraw/zinc/67/28/90/1335672890.db2.gz XYHGRSIMOCBVOH-MRVPVSSYSA-N 1 0 339.808 2.308 20 5 EEBDRO CCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333885061 1336162604 /nfs/dbraw/zinc/16/26/04/1336162604.db2.gz SGWQQFVENNHZNE-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2)c1 ZINC001335497995 1336384983 /nfs/dbraw/zinc/38/49/83/1336384983.db2.gz OFCTWDIWBIMOIJ-OCCSQVGLSA-N 1 0 347.337 2.245 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1Cl ZINC001336933344 1336619270 /nfs/dbraw/zinc/61/92/70/1336619270.db2.gz LICCDISAPPDIQF-DTORHVGOSA-N 1 0 327.768 2.221 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC001337337758 1336686027 /nfs/dbraw/zinc/68/60/27/1336686027.db2.gz GVJUUMRBQGFJBC-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001339142357 1336965517 /nfs/dbraw/zinc/96/55/17/1336965517.db2.gz RBDOTRHXQREHLR-CYBMUJFWSA-N 1 0 341.770 2.140 20 5 EEBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccc(C)cc1[N+](=O)[O-] ZINC001100540442 1338484007 /nfs/dbraw/zinc/48/40/07/1338484007.db2.gz KBULRMICTRKPCK-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001575114944 1343738295 /nfs/dbraw/zinc/73/82/95/1343738295.db2.gz ACSYWTPNVHQBNY-QGZVFWFLSA-N 1 0 334.420 2.230 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001580262474 1344502854 /nfs/dbraw/zinc/50/28/54/1344502854.db2.gz VNIYOTDHFSVSFA-TZMCWYRMSA-N 1 0 343.387 2.232 20 5 EEBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001580811573 1344562360 /nfs/dbraw/zinc/56/23/60/1344562360.db2.gz QOVCJMRRHKFLSM-KNVOCYPGSA-N 1 0 348.161 2.332 20 5 EEBDRO COCC1([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001591389581 1349480168 /nfs/dbraw/zinc/48/01/68/1349480168.db2.gz YFZRHNVAMJMKTC-UHFFFAOYSA-N 1 0 346.391 2.214 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001607083711 1351410738 /nfs/dbraw/zinc/41/07/38/1351410738.db2.gz MJJYURBJWSPKJY-GFCCVEGCSA-N 1 0 328.376 2.397 20 5 EEBDRO O=C(CC[NH+]1CCC2(CC1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000815157525 1367816361 /nfs/dbraw/zinc/81/63/61/1367816361.db2.gz RPKUJNSQDYNKMM-UHFFFAOYSA-N 1 0 349.387 2.152 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564437 1368036238 /nfs/dbraw/zinc/03/62/38/1368036238.db2.gz IUPAEZTVMDWFDA-ABAIWWIYSA-N 1 0 345.403 2.094 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921166 1368096212 /nfs/dbraw/zinc/09/62/12/1368096212.db2.gz PNSTXNHMCRNWSW-GFCCVEGCSA-N 1 0 335.408 2.419 20 5 EEBDRO CCCOCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199629039 1368688052 /nfs/dbraw/zinc/68/80/52/1368688052.db2.gz NEQYLPRJXDNOOG-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CCOc1cc(NC(=O)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000859624995 1369439883 /nfs/dbraw/zinc/43/98/83/1369439883.db2.gz JFNLWQUILAMGBL-JTQLQIEISA-N 1 0 340.380 2.203 20 5 EEBDRO Cc1cnc(NC2(CNC(=O)CCC[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001111902358 1371293825 /nfs/dbraw/zinc/29/38/25/1371293825.db2.gz YYIXBZFFEUCCHN-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCOC1 ZINC000782477857 1371300445 /nfs/dbraw/zinc/30/04/45/1371300445.db2.gz BRXRSRPCNLBUPJ-GFCCVEGCSA-N 1 0 339.367 2.421 20 5 EEBDRO Cn1c2ccccc2c(NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1=O ZINC001120039701 1371800961 /nfs/dbraw/zinc/80/09/61/1371800961.db2.gz KSLAVDWMIIARON-UHFFFAOYSA-N 1 0 330.388 2.343 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000839536974 1372908575 /nfs/dbraw/zinc/90/85/75/1372908575.db2.gz RGYIVLXJZXEZNB-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001578422865 1403752418 /nfs/dbraw/zinc/75/24/18/1403752418.db2.gz JJIVCVYEOKXZSL-ZWNOBZJWSA-N 1 0 338.383 2.047 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC/C=C/c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755471558 1407507639 /nfs/dbraw/zinc/50/76/39/1407507639.db2.gz WXOMOHCREFMSRI-ZNNYQJNVSA-N 1 0 343.427 2.240 20 5 EEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc([N+](=O)[O-])n1)C2 ZINC001164809825 720086332 /nfs/dbraw/zinc/08/63/32/720086332.db2.gz KRMKFQCNWYBRDF-CRAIPNDOSA-N 1 0 346.431 2.175 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167754562 769554568 /nfs/dbraw/zinc/55/45/68/769554568.db2.gz SMEOVVGMQNBCFU-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000846688251 790402699 /nfs/dbraw/zinc/40/26/99/790402699.db2.gz IHIPBLQLTVQVCM-LRDDRELGSA-N 1 0 348.359 2.012 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893876712 780267487 /nfs/dbraw/zinc/26/74/87/780267487.db2.gz QHWAXNUPLXQWAH-UHFFFAOYSA-N 1 0 336.436 2.367 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118788 780749783 /nfs/dbraw/zinc/74/97/83/780749783.db2.gz DYTFEAZPMPAENL-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO Cn1cnc2cc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000809733196 783315633 /nfs/dbraw/zinc/31/56/33/783315633.db2.gz RIBCAKUFFWPCJS-KRWDZBQOSA-N 1 0 326.356 2.305 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001091512111 791027580 /nfs/dbraw/zinc/02/75/80/791027580.db2.gz AUAGDJCXWWGPPE-HDJSIYSDSA-N 1 0 334.420 2.162 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCSC(F)(F)F ZINC000818962725 785330194 /nfs/dbraw/zinc/33/01/94/785330194.db2.gz WVJJYJYCWXGADE-SECBINFHSA-N 1 0 340.323 2.177 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000818988088 785353909 /nfs/dbraw/zinc/35/39/09/785353909.db2.gz DFQMFRUTBSFORY-INIZCTEOSA-N 1 0 335.404 2.011 20 5 EEBDRO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000819005420 785360952 /nfs/dbraw/zinc/36/09/52/785360952.db2.gz PEPOOGLWYDRWJQ-CQSZACIVSA-N 1 0 339.392 2.085 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818972313 785367228 /nfs/dbraw/zinc/36/72/28/785367228.db2.gz JFPVEOAUSCHYNL-BXUZGUMPSA-N 1 0 347.337 2.102 20 5 EEBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819015983 785382649 /nfs/dbraw/zinc/38/26/49/785382649.db2.gz DOFRTNNLGPPXBD-GOSISDBHSA-N 1 0 343.383 2.419 20 5 EEBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819112625 785430649 /nfs/dbraw/zinc/43/06/49/785430649.db2.gz GHFOESORRUGSBA-OSAQELSMSA-N 1 0 326.418 2.208 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ncccc2Cl)cc1 ZINC000819159234 785437769 /nfs/dbraw/zinc/43/77/69/785437769.db2.gz KMHXFQGFUCKGEA-CQSZACIVSA-N 1 0 337.763 2.345 20 5 EEBDRO COc1ccc(COCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819202636 785460580 /nfs/dbraw/zinc/46/05/80/785460580.db2.gz BLVYOFUEODKAEE-SFHVURJKSA-N 1 0 346.383 2.443 20 5 EEBDRO Cn1nc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819241014 785464093 /nfs/dbraw/zinc/46/40/93/785464093.db2.gz FZVAKSWJPYKQGQ-SFHVURJKSA-N 1 0 340.383 2.347 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000819256409 785470760 /nfs/dbraw/zinc/47/07/60/785470760.db2.gz MQQZDAZSCDDVCZ-DOTOQJQBSA-N 1 0 332.404 2.391 20 5 EEBDRO CON(C)C(=O)CC[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000819269761 785501425 /nfs/dbraw/zinc/50/14/25/785501425.db2.gz OIIYCKNPLRBAQN-UHFFFAOYSA-N 1 0 335.282 2.113 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819275492 785504433 /nfs/dbraw/zinc/50/44/33/785504433.db2.gz VWNBITBAOUKWCD-RISCZKNCSA-N 1 0 339.392 2.131 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910285865 786617016 /nfs/dbraw/zinc/61/70/16/786617016.db2.gz VPRMHYGVEBZBCI-ZDUSSCGKSA-N 1 0 335.404 2.089 20 5 EEBDRO CCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000911513371 787508653 /nfs/dbraw/zinc/50/86/53/787508653.db2.gz ZLGNAHILZXAOQZ-NSHDSACASA-N 1 0 340.811 2.387 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000824559408 788215333 /nfs/dbraw/zinc/21/53/33/788215333.db2.gz SOQWVFYRNDVKTR-CQSZACIVSA-N 1 0 327.812 2.185 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000824925869 788360172 /nfs/dbraw/zinc/36/01/72/788360172.db2.gz HCXYPAOGTVBGLF-TXEJJXNPSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825394332 788609357 /nfs/dbraw/zinc/60/93/57/788609357.db2.gz ZJFALDSQTWSSCS-CZUORRHYSA-N 1 0 349.431 2.255 20 5 EEBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])c2C1 ZINC001171092177 788670113 /nfs/dbraw/zinc/67/01/13/788670113.db2.gz ZFVWRYMWHFALGS-SNVBAGLBSA-N 1 0 342.330 2.127 20 5 EEBDRO O=C(c1nccs1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997110532 788858387 /nfs/dbraw/zinc/85/83/87/788858387.db2.gz GQQKGONMNLBSKN-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923445005 789554417 /nfs/dbraw/zinc/55/44/17/789554417.db2.gz SRKJACJKLUUPOS-MCIONIFRSA-N 1 0 334.420 2.303 20 5 EEBDRO C[N@H+](CCC(=O)NCCNc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC001094008607 795855367 /nfs/dbraw/zinc/85/53/67/795855367.db2.gz RGUJXGDLDJRQAL-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[N@H+](CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)C ZINC001094141453 795992320 /nfs/dbraw/zinc/99/23/20/795992320.db2.gz YEQRGXKLQHZOBT-UHFFFAOYSA-N 1 0 340.399 2.240 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001110158752 796332284 /nfs/dbraw/zinc/33/22/84/796332284.db2.gz POARFTDPNLNWNW-UHFFFAOYSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1cc(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001170047670 806507969 /nfs/dbraw/zinc/50/79/69/806507969.db2.gz QMJKCIPPUBGLCC-VIFPVBQESA-N 1 0 330.182 2.066 20 5 EEBDRO CN1CCC2(C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C1=O ZINC001172913477 797172178 /nfs/dbraw/zinc/17/21/78/797172178.db2.gz QVSLGBGVCJQANE-OAHLLOKOSA-N 1 0 329.400 2.006 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCN(C)C2)c1F ZINC001173180666 797278521 /nfs/dbraw/zinc/27/85/21/797278521.db2.gz YDBRGYNYOVWLAT-RYUDHWBXSA-N 1 0 325.384 2.357 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H]1N1CCOCC1 ZINC001173222717 797305149 /nfs/dbraw/zinc/30/51/49/797305149.db2.gz YVDGRCZPRJFJBO-JLSDUUJJSA-N 1 0 333.432 2.369 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001173229504 797311364 /nfs/dbraw/zinc/31/13/64/797311364.db2.gz XCQLGEFBHONQOD-ZMYBRWDISA-N 1 0 345.443 2.321 20 5 EEBDRO COC(=O)[C@H]1COCCC12C[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173234792 797313265 /nfs/dbraw/zinc/31/32/65/797313265.db2.gz UDSXOUAGRBYYHS-XJKSGUPXSA-N 1 0 348.399 2.037 20 5 EEBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173234788 797313600 /nfs/dbraw/zinc/31/36/00/797313600.db2.gz UDSXOUAGRBYYHS-CJNGLKHVSA-N 1 0 348.399 2.037 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001095233533 797564811 /nfs/dbraw/zinc/56/48/11/797564811.db2.gz BRPHTYDDWAFKBH-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C34CC[NH+](CC3)C4)CC2)ccc1[N+](=O)[O-] ZINC001110192752 798330499 /nfs/dbraw/zinc/33/04/99/798330499.db2.gz ZTNPUXPRXJRTTK-UHFFFAOYSA-N 1 0 344.415 2.060 20 5 EEBDRO Cc1n[nH]cc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003406517 799625641 /nfs/dbraw/zinc/62/56/41/799625641.db2.gz RWMBVMCWGOIVKO-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000786813881 806910302 /nfs/dbraw/zinc/91/03/02/806910302.db2.gz NIXVOZQDYNPIPH-VECLJIIPSA-N 1 0 331.416 2.451 20 5 EEBDRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001086066128 802056948 /nfs/dbraw/zinc/05/69/48/802056948.db2.gz MEXLQBFDBZQEJP-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO CCCCCCOC(=O)CCC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983691 803547603 /nfs/dbraw/zinc/54/76/03/803547603.db2.gz KSCZETSYRBQVQJ-CABCVRRESA-N 1 0 342.436 2.494 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964234 803551939 /nfs/dbraw/zinc/55/19/39/803551939.db2.gz SCVALJDVWOZTJP-AAVRWANBSA-N 1 0 327.425 2.325 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168969919 803553796 /nfs/dbraw/zinc/55/37/96/803553796.db2.gz GLLXLWPUEGUONA-DGAVXFQQSA-N 1 0 345.415 2.369 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC1COC1 ZINC001168972471 803555968 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OPMUKKRTJOYEBY-YIYPIFLZSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037532 803581418 /nfs/dbraw/zinc/58/14/18/803581418.db2.gz SBUBPQQEXPUUDO-AAVRWANBSA-N 1 0 345.415 2.369 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169040084 803583181 /nfs/dbraw/zinc/58/31/81/803583181.db2.gz XRZIZRRPZATVHZ-RQJABVFESA-N 1 0 327.425 2.277 20 5 EEBDRO CO[C@H](CN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040061 803583361 /nfs/dbraw/zinc/58/33/61/803583361.db2.gz XITFMFQRELKHHV-YTQUADARSA-N 1 0 347.459 2.437 20 5 EEBDRO Cc1ccccc1C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169044694 803585379 /nfs/dbraw/zinc/58/53/79/803585379.db2.gz ISPJUYSTHJPHQC-HZPDHXFCSA-N 1 0 331.416 2.198 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018710 803586871 /nfs/dbraw/zinc/58/68/71/803586871.db2.gz CDFKFSYNUWBQFN-YRXWBPOGSA-N 1 0 344.459 2.281 20 5 EEBDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169019460 803587439 /nfs/dbraw/zinc/58/74/39/803587439.db2.gz IGMXJVXTQYWZJV-KJWHEZOQSA-N 1 0 336.392 2.118 20 5 EEBDRO O=C1NCC[C@]12C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@H]2c1ccccc1 ZINC001169026765 803592430 /nfs/dbraw/zinc/59/24/30/803592430.db2.gz NVPCAAMZRGGINN-QSOKESPWSA-N 1 0 343.427 2.038 20 5 EEBDRO CCOC(=O)C1(Nc2cccc(OC)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169491748 803815836 /nfs/dbraw/zinc/81/58/36/803815836.db2.gz NRSDSQNTMMKBTB-UHFFFAOYSA-N 1 0 337.376 2.043 20 5 EEBDRO O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000792547270 809792760 /nfs/dbraw/zinc/79/27/60/809792760.db2.gz XEKKXWBJSQIAPW-UHFFFAOYSA-N 1 0 327.296 2.478 20 5 EEBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000792550699 809795979 /nfs/dbraw/zinc/79/59/79/809795979.db2.gz IPDJTGCGLDHQFO-UHFFFAOYSA-N 1 0 325.280 2.282 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)O1 ZINC001170270627 809856733 /nfs/dbraw/zinc/85/67/33/809856733.db2.gz LYWOQZOFZRDKCE-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170297855 809870665 /nfs/dbraw/zinc/87/06/65/809870665.db2.gz UNHYXDXGLVMGDY-ZDUSSCGKSA-N 1 0 335.404 2.137 20 5 EEBDRO COc1ccc(C[C@H](C)n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001170305542 809875073 /nfs/dbraw/zinc/87/50/73/809875073.db2.gz MVJNBLPHDIPXHM-FZMZJTMJSA-N 1 0 330.388 2.420 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])cc3cc[nH]c32)O1 ZINC001170278751 809876715 /nfs/dbraw/zinc/87/67/15/809876715.db2.gz ZHZHHSOGSHYFDG-FMKPAKJESA-N 1 0 334.376 2.213 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnc2cc[nH]c2c1 ZINC001130085471 811142745 /nfs/dbraw/zinc/14/27/45/811142745.db2.gz KDFYCZGDVCNFMM-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC(F)(F)F)c2)CC1 ZINC001518551512 1119058301 /nfs/dbraw/zinc/05/83/01/1119058301.db2.gz UQBJNASUYSMEHD-UHFFFAOYSA-N 1 0 346.309 2.238 20 5 EEBDRO [NH3+][C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001523605527 1119816695 /nfs/dbraw/zinc/81/66/95/1119816695.db2.gz KNOXMRJRLVRFAG-QWHCGFSZSA-N 1 0 341.770 2.316 20 5 EEBDRO Cc1csc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)n1 ZINC000183565349 235143614 /nfs/dbraw/zinc/14/36/14/235143614.db2.gz JUJZDJKNUOKOMG-CQSZACIVSA-N 1 0 334.401 2.262 20 5 EEBDRO Cc1cnc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000184973594 235546494 /nfs/dbraw/zinc/54/64/94/235546494.db2.gz XFFYOWFMLJKQIT-AAEUAGOBSA-N 1 0 337.401 2.450 20 5 EEBDRO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026218830 202140380 /nfs/dbraw/zinc/14/03/80/202140380.db2.gz MGJMETCTCCGPBS-ZDUSSCGKSA-N 1 0 349.387 2.199 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237401120 296024108 /nfs/dbraw/zinc/02/41/08/296024108.db2.gz NHSPXNMMUPZCQG-KOLCDFICSA-N 1 0 347.824 2.139 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000151030071 283658356 /nfs/dbraw/zinc/65/83/56/283658356.db2.gz PMKWEDWNRVXMIN-CMPLNLGQSA-N 1 0 341.795 2.226 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000045785896 201104515 /nfs/dbraw/zinc/10/45/15/201104515.db2.gz FNZYAENXCCHDBX-NEPJUHHUSA-N 1 0 337.376 2.041 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000193482342 240181338 /nfs/dbraw/zinc/18/13/38/240181338.db2.gz XGQUQEQHLZIKEP-QPUJVOFHSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000193524385 240196938 /nfs/dbraw/zinc/19/69/38/240196938.db2.gz SCTIQEGNOGGRQS-JSGCOSHPSA-N 1 0 332.404 2.065 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448583946 242414853 /nfs/dbraw/zinc/41/48/53/242414853.db2.gz XBQVVAOOCCOXBN-UHFFFAOYSA-N 1 0 331.376 2.055 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc([N+](=O)[O-])c1 ZINC000237089693 242478000 /nfs/dbraw/zinc/47/80/00/242478000.db2.gz WFWUDZRBQSDVSU-LKTVYLICSA-N 1 0 347.371 2.241 20 5 EEBDRO C[N@H+](C[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549658 243153789 /nfs/dbraw/zinc/15/37/89/243153789.db2.gz PZCDFVLAEGNPDA-CRAIPNDOSA-N 1 0 333.432 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCN3CCCOCC3)C2)cc1 ZINC000451552721 243156162 /nfs/dbraw/zinc/15/61/62/243156162.db2.gz XGNPTOHZKQKNEQ-QGZVFWFLSA-N 1 0 333.432 2.497 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451488951 243131262 /nfs/dbraw/zinc/13/12/62/243131262.db2.gz JLIRWSGFVMAELA-OIISXLGYSA-N 1 0 345.399 2.105 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451695729 243211655 /nfs/dbraw/zinc/21/16/55/243211655.db2.gz NYZVCPLKOMFQDF-IIAWOOMASA-N 1 0 347.415 2.325 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000451627307 243181940 /nfs/dbraw/zinc/18/19/40/243181940.db2.gz BZGSXKQKPDCHFZ-ZKYQVNSYSA-N 1 0 337.376 2.088 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000246798468 243317376 /nfs/dbraw/zinc/31/73/76/243317376.db2.gz BTIHRTVVLJFWCG-JSGCOSHPSA-N 1 0 335.429 2.382 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452059033 243340622 /nfs/dbraw/zinc/34/06/22/243340622.db2.gz JOESWNZWZNWAJV-CQSZACIVSA-N 1 0 336.417 2.346 20 5 EEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000361077454 284143426 /nfs/dbraw/zinc/14/34/26/284143426.db2.gz BJIQKGMBPGYHSM-UONOGXRCSA-N 1 0 329.356 2.459 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000076777454 203364284 /nfs/dbraw/zinc/36/42/84/203364284.db2.gz UHBXPQOEZPSSQS-UHFFFAOYSA-N 1 0 348.403 2.171 20 5 EEBDRO C[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262833028 245202993 /nfs/dbraw/zinc/20/29/93/245202993.db2.gz SGPMSPHPYBADGG-DOMZBBRYSA-N 1 0 343.387 2.207 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738073 245230107 /nfs/dbraw/zinc/23/01/07/245230107.db2.gz AAGHEJOMTVFSER-KGLIPLIRSA-N 1 0 333.388 2.389 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459772034 245243057 /nfs/dbraw/zinc/24/30/57/245243057.db2.gz RUCJHARQCLVMER-KCPJHIHWSA-N 1 0 333.388 2.469 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000129578357 205202470 /nfs/dbraw/zinc/20/24/70/205202470.db2.gz YMIDBMUEKSQGRH-CYBMUJFWSA-N 1 0 338.408 2.382 20 5 EEBDRO CC(C)(C)[C@H](CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129992059 205218676 /nfs/dbraw/zinc/21/86/76/205218676.db2.gz KLVUPKSFBKVXEZ-AWEZNQCLSA-N 1 0 341.383 2.449 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000248840474 205541571 /nfs/dbraw/zinc/54/15/71/205541571.db2.gz QLLQANQWYJGLTH-TZMCWYRMSA-N 1 0 333.388 2.160 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000173839172 206962403 /nfs/dbraw/zinc/96/24/03/206962403.db2.gz KBRGHGHNYUTMFD-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000174538576 207029342 /nfs/dbraw/zinc/02/93/42/207029342.db2.gz KUEUWZDVJUPPQE-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269193364 255542826 /nfs/dbraw/zinc/54/28/26/255542826.db2.gz YPIJGOJODKZQMZ-SECBINFHSA-N 1 0 331.294 2.295 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000267192061 256036212 /nfs/dbraw/zinc/03/62/12/256036212.db2.gz MQLFWZOJIVWGTQ-UHFFFAOYSA-N 1 0 349.391 2.068 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000267224153 256039819 /nfs/dbraw/zinc/03/98/19/256039819.db2.gz BFEZATDJFBDTTL-AWEZNQCLSA-N 1 0 334.420 2.121 20 5 EEBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271146817 256212968 /nfs/dbraw/zinc/21/29/68/256212968.db2.gz RTWWLQAKDSMVHR-HOCLYGCPSA-N 1 0 349.431 2.266 20 5 EEBDRO COCCOCCOCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000276178485 256408446 /nfs/dbraw/zinc/40/84/46/256408446.db2.gz KLDCYTLXYXKYJO-UHFFFAOYSA-N 1 0 326.393 2.015 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCCC[NH+]1CCC(O)CC1 ZINC000276707456 256460294 /nfs/dbraw/zinc/46/02/94/256460294.db2.gz XZGJDTCMIHHYBO-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000420398946 533636700 /nfs/dbraw/zinc/63/67/00/533636700.db2.gz HGLGIOJOVMXKJV-WDEREUQCSA-N 1 0 340.811 2.103 20 5 EEBDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000248544206 160349769 /nfs/dbraw/zinc/34/97/69/160349769.db2.gz IVSAVWMNFQHNJT-GMXVVIOVSA-N 1 0 332.360 2.409 20 5 EEBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000172497916 152088443 /nfs/dbraw/zinc/08/84/43/152088443.db2.gz NTVSEKDXQVYTMR-UHFFFAOYSA-N 1 0 342.193 2.183 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC000363201442 153605227 /nfs/dbraw/zinc/60/52/27/153605227.db2.gz BJNHORQJNGJTBL-UHFFFAOYSA-N 1 0 328.372 2.317 20 5 EEBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377195386 154080789 /nfs/dbraw/zinc/08/07/89/154080789.db2.gz FAKVZZKYMCQPQM-LBPRGKRZSA-N 1 0 334.376 2.205 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377389127 154175450 /nfs/dbraw/zinc/17/54/50/154175450.db2.gz FULRDBAIAFUYAK-WMLDXEAASA-N 1 0 349.387 2.089 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000249279986 160377435 /nfs/dbraw/zinc/37/74/35/160377435.db2.gz NANNISJBUABXIG-FZMZJTMJSA-N 1 0 334.376 2.161 20 5 EEBDRO CSCC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000352510979 286671212 /nfs/dbraw/zinc/67/12/12/286671212.db2.gz PTIVMQJHMUTSEF-SMDDNHRTSA-N 1 0 325.434 2.455 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000083025868 159160702 /nfs/dbraw/zinc/16/07/02/159160702.db2.gz BTSYEARPGGDSDU-ZIAGYGMSSA-N 1 0 335.404 2.214 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106542557 159316202 /nfs/dbraw/zinc/31/62/02/159316202.db2.gz JMVPPMVILMEKOT-OAHLLOKOSA-N 1 0 346.431 2.453 20 5 EEBDRO CCOc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827388 160018751 /nfs/dbraw/zinc/01/87/51/160018751.db2.gz KKQBKDIQRGAHCQ-AWEZNQCLSA-N 1 0 336.436 2.431 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246969938 160303051 /nfs/dbraw/zinc/30/30/51/160303051.db2.gz XUCZUSAYRPPPSE-XJKSGUPXSA-N 1 0 333.388 2.424 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000341933827 161025447 /nfs/dbraw/zinc/02/54/47/161025447.db2.gz DRDZLPPPOIOUBY-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000342227104 161049077 /nfs/dbraw/zinc/04/90/77/161049077.db2.gz XUEWXTLFVQENNE-ODDCISTRSA-N 1 0 338.429 2.413 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342650893 161080564 /nfs/dbraw/zinc/08/05/64/161080564.db2.gz IBVBFBZUCGGYLY-SNVBAGLBSA-N 1 0 328.800 2.388 20 5 EEBDRO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343390213 161131301 /nfs/dbraw/zinc/13/13/01/161131301.db2.gz MAOVGGTVIWHZCC-XJKSGUPXSA-N 1 0 346.387 2.440 20 5 EEBDRO COCC1(C)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343767608 161166370 /nfs/dbraw/zinc/16/63/70/161166370.db2.gz OGIHKHHCYLSDDA-CQSZACIVSA-N 1 0 338.404 2.083 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)c1 ZINC000344036287 161192160 /nfs/dbraw/zinc/19/21/60/161192160.db2.gz SMACOWBLKUHRJY-NUEKZKHPSA-N 1 0 343.383 2.495 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344130957 161200739 /nfs/dbraw/zinc/20/07/39/161200739.db2.gz IUPSHBVRBYGIRL-JSGCOSHPSA-N 1 0 335.404 2.325 20 5 EEBDRO CCC[C@]1(CO)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344132126 161200763 /nfs/dbraw/zinc/20/07/63/161200763.db2.gz OVZALBRDIKRSSA-WMZOPIPTSA-N 1 0 347.415 2.185 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344241454 161210180 /nfs/dbraw/zinc/21/01/80/161210180.db2.gz VMZRUQPBHWGCAL-UHFFFAOYSA-N 1 0 341.383 2.164 20 5 EEBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000344357502 161219882 /nfs/dbraw/zinc/21/98/82/161219882.db2.gz VSXJHMFLUFDSSC-UONOGXRCSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000344845198 161250461 /nfs/dbraw/zinc/25/04/61/161250461.db2.gz ZOCVYHHWCCFHOG-KBPBESRZSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345327105 161292268 /nfs/dbraw/zinc/29/22/68/161292268.db2.gz SUKJSKWEYCJFRY-CZUORRHYSA-N 1 0 334.420 2.386 20 5 EEBDRO CCc1ccc([C@H](NC[C@H](O)C[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346551140 161381295 /nfs/dbraw/zinc/38/12/95/161381295.db2.gz HFXXKWFPJAIRRZ-MAUKXSAKSA-N 1 0 347.415 2.352 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000351955703 162000158 /nfs/dbraw/zinc/00/01/58/162000158.db2.gz KTRJNFVLXLYMGG-UWVGGRQHSA-N 1 0 343.330 2.409 20 5 EEBDRO CN1CCC2(CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C1=O ZINC000352408504 162125819 /nfs/dbraw/zinc/12/58/19/162125819.db2.gz VJERKGVTLJHDPU-UHFFFAOYSA-N 1 0 339.342 2.317 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000355334123 163149784 /nfs/dbraw/zinc/14/97/84/163149784.db2.gz BNUJQCZWYOTITP-UHFFFAOYSA-N 1 0 337.424 2.388 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000356222836 163371207 /nfs/dbraw/zinc/37/12/07/163371207.db2.gz PIBSMLXJCPFHNL-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359039079 164042926 /nfs/dbraw/zinc/04/29/26/164042926.db2.gz ILKDRALIRGXYDD-AWEZNQCLSA-N 1 0 331.376 2.219 20 5 EEBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359596199 164132860 /nfs/dbraw/zinc/13/28/60/164132860.db2.gz HGQNRJMLSJCNPC-QGZVFWFLSA-N 1 0 345.399 2.190 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCSC1 ZINC000359739558 164163399 /nfs/dbraw/zinc/16/33/99/164163399.db2.gz LXQUMERTKFYFEJ-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295967 164277262 /nfs/dbraw/zinc/27/72/62/164277262.db2.gz KOQKGLAMUIGLJQ-UKRRQHHQSA-N 1 0 342.399 2.184 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374004082 167001591 /nfs/dbraw/zinc/00/15/91/167001591.db2.gz UXXDMOZFQPBCFB-HIFRSBDPSA-N 1 0 332.356 2.417 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000272702716 269011317 /nfs/dbraw/zinc/01/13/17/269011317.db2.gz ZAKMHQMCZLYDGZ-BDJLRTHQSA-N 1 0 328.372 2.242 20 5 EEBDRO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000274863525 269065799 /nfs/dbraw/zinc/06/57/99/269065799.db2.gz DFKGZZQYIZOUBS-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000277551096 269161391 /nfs/dbraw/zinc/16/13/91/269161391.db2.gz CFIDYBOERULLKJ-IJLUTSLNSA-N 1 0 345.403 2.349 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CO)(Cc3ccccc3)CC2)n1 ZINC000277657277 269168042 /nfs/dbraw/zinc/16/80/42/269168042.db2.gz DLOBTMULRNPXKQ-UHFFFAOYSA-N 1 0 344.415 2.109 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000277726849 269175586 /nfs/dbraw/zinc/17/55/86/269175586.db2.gz OEUGVTXKOHGGER-ZDUSSCGKSA-N 1 0 337.424 2.121 20 5 EEBDRO Cc1cccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278507731 269234682 /nfs/dbraw/zinc/23/46/82/269234682.db2.gz MACUJUSUYWSJMC-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278905272 269249769 /nfs/dbraw/zinc/24/97/69/269249769.db2.gz SEVCFLGXHOITPW-ZDUSSCGKSA-N 1 0 347.415 2.229 20 5 EEBDRO Cc1cccc(CC2(O)CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000280287874 269347557 /nfs/dbraw/zinc/34/75/57/269347557.db2.gz DXDPQJIHDYFTRK-UHFFFAOYSA-N 1 0 344.415 2.169 20 5 EEBDRO Cn1cc([C@H](CO)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271541687 274141262 /nfs/dbraw/zinc/14/12/62/274141262.db2.gz QVBNBBYHPZJFAS-JQFCIGGWSA-N 1 0 344.415 2.363 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784916 274151545 /nfs/dbraw/zinc/15/15/45/274151545.db2.gz MGSQAWVSYBOHIM-CABZTGNLSA-N 1 0 342.758 2.296 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000272795976 274182813 /nfs/dbraw/zinc/18/28/13/274182813.db2.gz GYNFRDBNVNSGMK-CHWSQXEVSA-N 1 0 334.376 2.352 20 5 EEBDRO Cc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277493992 274298890 /nfs/dbraw/zinc/29/88/90/274298890.db2.gz JOSAFJSMIWKJIR-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266257407 275026531 /nfs/dbraw/zinc/02/65/31/275026531.db2.gz ODPUXRRUOZRHNO-CQSZACIVSA-N 1 0 344.371 2.002 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412643 275029972 /nfs/dbraw/zinc/02/99/72/275029972.db2.gz VFHUZHVSAMDVQM-GRDNDAEWSA-N 1 0 345.399 2.059 20 5 EEBDRO Nc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000288533625 275067774 /nfs/dbraw/zinc/06/77/74/275067774.db2.gz USWSXEMAFZQDLN-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290574038 275219441 /nfs/dbraw/zinc/21/94/41/275219441.db2.gz UPKLKKSKGKCDRK-BETUJISGSA-N 1 0 349.435 2.259 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290679116 275228974 /nfs/dbraw/zinc/22/89/74/275228974.db2.gz LGYVLHWODGLGHY-SECBINFHSA-N 1 0 335.451 2.200 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237238639 277284574 /nfs/dbraw/zinc/28/45/74/277284574.db2.gz FORKGUSMXHGEPS-ZYHUDNBSSA-N 1 0 341.795 2.226 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079535734 279301368 /nfs/dbraw/zinc/30/13/68/279301368.db2.gz WRKGSPNWRDCEGC-CQSZACIVSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000301140356 279355004 /nfs/dbraw/zinc/35/50/04/279355004.db2.gz DZJDAIQCJSJTJC-LLVKDONJSA-N 1 0 331.376 2.387 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]([NH3+])[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000165835199 280198556 /nfs/dbraw/zinc/19/85/56/280198556.db2.gz ZOVAZXOQBHTYEO-VXNVDRBHSA-N 1 0 329.198 2.234 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000293032175 293106743 /nfs/dbraw/zinc/10/67/43/293106743.db2.gz JZERDBODALQIMW-SECBINFHSA-N 1 0 329.198 2.140 20 5 EEBDRO COc1cc(C(=O)NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000294573182 293489928 /nfs/dbraw/zinc/48/99/28/293489928.db2.gz OHRSTCQWPCWLNN-UHFFFAOYSA-N 1 0 339.367 2.204 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296283971 293935759 /nfs/dbraw/zinc/93/57/59/293935759.db2.gz OXCLEYNIERQSHI-DAXOMENPSA-N 1 0 336.388 2.385 20 5 EEBDRO CCC[C@H]([NH2+][C@H](CC)CNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000296315057 293944571 /nfs/dbraw/zinc/94/45/71/293944571.db2.gz GOTMFTHMXBLGHX-HIFRSBDPSA-N 1 0 343.449 2.353 20 5 EEBDRO C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000297309100 294208615 /nfs/dbraw/zinc/20/86/15/294208615.db2.gz IGCSVEMUOCBWRC-CQSZACIVSA-N 1 0 346.431 2.263 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000297567158 294282109 /nfs/dbraw/zinc/28/21/09/294282109.db2.gz RWOWKYCCPBHQEN-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000301741018 294888781 /nfs/dbraw/zinc/88/87/81/294888781.db2.gz XTQXPFLPSBSTMD-LLVKDONJSA-N 1 0 326.784 2.308 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000159093580 311336911 /nfs/dbraw/zinc/33/69/11/311336911.db2.gz SJGWUDRQRHIBIM-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000414123524 312973490 /nfs/dbraw/zinc/97/34/90/312973490.db2.gz BJTKKEVFDFMKFA-CQDKDKBSSA-N 1 0 326.418 2.393 20 5 EEBDRO CCn1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000414213969 312983750 /nfs/dbraw/zinc/98/37/50/312983750.db2.gz VEXKYFBDQFHPMC-LBPRGKRZSA-N 1 0 331.376 2.318 20 5 EEBDRO Cc1cc(C(=O)NCc2nc([C@@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000414633566 313052418 /nfs/dbraw/zinc/05/24/18/313052418.db2.gz ZTMGFSJMVRRISN-LBPRGKRZSA-N 1 0 347.375 2.262 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417723812 313576436 /nfs/dbraw/zinc/57/64/36/313576436.db2.gz XXVNISQRGWGPJK-KGLIPLIRSA-N 1 0 349.435 2.084 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098000 313711283 /nfs/dbraw/zinc/71/12/83/313711283.db2.gz YVWIZOPPPZDCRD-MRVPVSSYSA-N 1 0 334.298 2.102 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000439217457 315070115 /nfs/dbraw/zinc/07/01/15/315070115.db2.gz RSVXEZHIKQDVDC-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342604 315243198 /nfs/dbraw/zinc/24/31/98/315243198.db2.gz FFAXWRMWUKVJAS-GUTXKFCHSA-N 1 0 338.404 2.464 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000444609688 315311045 /nfs/dbraw/zinc/31/10/45/315311045.db2.gz BTYIYIXHLLOWSD-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000496685372 316228489 /nfs/dbraw/zinc/22/84/89/316228489.db2.gz VIJCDOVUJMRRGK-AWEZNQCLSA-N 1 0 349.387 2.268 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000542524574 318131589 /nfs/dbraw/zinc/13/15/89/318131589.db2.gz DYBMJKLMTXVADQ-LBPRGKRZSA-N 1 0 329.784 2.447 20 5 EEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000543452854 318158912 /nfs/dbraw/zinc/15/89/12/318158912.db2.gz XEWFTYLGRKEZQM-ZDUSSCGKSA-N 1 0 329.784 2.447 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000564721715 319104592 /nfs/dbraw/zinc/10/45/92/319104592.db2.gz DWPDSRPDKCBDBW-JTQLQIEISA-N 1 0 344.209 2.461 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574513799 320032275 /nfs/dbraw/zinc/03/22/75/320032275.db2.gz CWKLVTJKMYIZTL-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000574873213 320064903 /nfs/dbraw/zinc/06/49/03/320064903.db2.gz GNBKJVROQARBPM-HIFRSBDPSA-N 1 0 333.388 2.424 20 5 EEBDRO CN(C(=O)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000576094005 320139987 /nfs/dbraw/zinc/13/99/87/320139987.db2.gz ISOBBKLEQLLGFQ-IRXDYDNUSA-N 1 0 346.431 2.164 20 5 EEBDRO C[C@H]1COCCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574477 320183862 /nfs/dbraw/zinc/18/38/62/320183862.db2.gz OZQDQISWIICNSR-HNNXBMFYSA-N 1 0 333.432 2.322 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000576574764 320183895 /nfs/dbraw/zinc/18/38/95/320183895.db2.gz DZQCFFARXYAEPW-IAGOWNOFSA-N 1 0 332.404 2.182 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000577228862 320244011 /nfs/dbraw/zinc/24/40/11/320244011.db2.gz PDDNFYORXMCKCR-JFGNBEQYSA-N 1 0 341.795 2.354 20 5 EEBDRO Cc1c(CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000577741048 320272958 /nfs/dbraw/zinc/27/29/58/320272958.db2.gz UWHSJTBZHQMZNA-MRXNPFEDSA-N 1 0 327.384 2.480 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580632793 324101021 /nfs/dbraw/zinc/10/10/21/324101021.db2.gz BLPFZLBRJUSIHS-CQSZACIVSA-N 1 0 332.404 2.195 20 5 EEBDRO CNc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000581530215 324271195 /nfs/dbraw/zinc/27/11/95/324271195.db2.gz CYVRHBNQGNRJBX-LBPRGKRZSA-N 1 0 332.404 2.193 20 5 EEBDRO CNc1nccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000520834504 448935497 /nfs/dbraw/zinc/93/54/97/448935497.db2.gz DUNAMGCAMMCSDH-UHFFFAOYSA-N 1 0 349.435 2.368 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000152573118 462550075 /nfs/dbraw/zinc/55/00/75/462550075.db2.gz JWWRJYCCCUODGT-OCCSQVGLSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354630676 465064864 /nfs/dbraw/zinc/06/48/64/465064864.db2.gz VTOIUIQQVKXDKR-CHWSQXEVSA-N 1 0 341.433 2.088 20 5 EEBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347553603 465090051 /nfs/dbraw/zinc/09/00/51/465090051.db2.gz DESAHUGJFAXUCJ-ZBFHGGJFSA-N 1 0 348.403 2.244 20 5 EEBDRO Cc1nc(NCC2([NH+]3CCSCC3)CCCC2)ncc1[N+](=O)[O-] ZINC000296256569 465132366 /nfs/dbraw/zinc/13/23/66/465132366.db2.gz FZCBAOYCHPKFQL-UHFFFAOYSA-N 1 0 337.449 2.467 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351399514 465142353 /nfs/dbraw/zinc/14/23/53/465142353.db2.gz BDJHNLQYDCYODH-HUUCEWRRSA-N 1 0 333.436 2.350 20 5 EEBDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339304755 465198102 /nfs/dbraw/zinc/19/81/02/465198102.db2.gz MYKKKWFJLJOGHB-ZIAGYGMSSA-N 1 0 338.408 2.283 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000296500796 465214387 /nfs/dbraw/zinc/21/43/87/465214387.db2.gz BROATYLXFOMLSD-MRXNPFEDSA-N 1 0 334.376 2.163 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351792973 465364537 /nfs/dbraw/zinc/36/45/37/465364537.db2.gz SODXCNKJUVMHAB-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000590668220 468300445 /nfs/dbraw/zinc/30/04/45/468300445.db2.gz RCFYOGULZWQJHO-LBPRGKRZSA-N 1 0 343.387 2.009 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932787 465398112 /nfs/dbraw/zinc/39/81/12/465398112.db2.gz GUYXHVDVHOHSNR-FZMZJTMJSA-N 1 0 330.388 2.488 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087140991 462591854 /nfs/dbraw/zinc/59/18/54/462591854.db2.gz VLWODCIFEAFWJW-UHFFFAOYSA-N 1 0 334.420 2.394 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CCC[N@H+](C)C1 ZINC000590689632 468306801 /nfs/dbraw/zinc/30/68/01/468306801.db2.gz NCAMMANSZXXRQX-GFCCVEGCSA-N 1 0 330.388 2.327 20 5 EEBDRO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047119445 462745682 /nfs/dbraw/zinc/74/56/82/462745682.db2.gz JUWQPDBKZKAUEZ-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000047388279 462775223 /nfs/dbraw/zinc/77/52/23/462775223.db2.gz KNRLOBAMIKCEIK-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO COc1ccc(OCCN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000076089563 462805378 /nfs/dbraw/zinc/80/53/78/462805378.db2.gz FBYCXSCHOXGCJK-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000076461053 462864564 /nfs/dbraw/zinc/86/45/64/462864564.db2.gz ZXSHSDIFJWTTNV-ZDUSSCGKSA-N 1 0 330.392 2.244 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000155396972 462885887 /nfs/dbraw/zinc/88/58/87/462885887.db2.gz AUOKGUJEEIZKAH-CZUORRHYSA-N 1 0 333.388 2.059 20 5 EEBDRO Cc1noc(C)c1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119443058 462901817 /nfs/dbraw/zinc/90/18/17/462901817.db2.gz PHUCRPIIMAUYDJ-ZDUSSCGKSA-N 1 0 331.376 2.324 20 5 EEBDRO C[N@H+](CCC1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120611795 463018548 /nfs/dbraw/zinc/01/85/48/463018548.db2.gz XHGZIJGLNRHMGO-KRWDZBQOSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000156428556 463024598 /nfs/dbraw/zinc/02/45/98/463024598.db2.gz VCRLTOOAVZMLDZ-LLVKDONJSA-N 1 0 325.384 2.369 20 5 EEBDRO Cc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000093319967 463024961 /nfs/dbraw/zinc/02/49/61/463024961.db2.gz LUFPPHJZIMZELV-UHFFFAOYSA-N 1 0 336.310 2.276 20 5 EEBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093717587 463044304 /nfs/dbraw/zinc/04/43/04/463044304.db2.gz IXWGSFPUMMHQAW-UHFFFAOYSA-N 1 0 344.209 2.315 20 5 EEBDRO Cc1ccccc1C[N@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029623934 463265642 /nfs/dbraw/zinc/26/56/42/463265642.db2.gz JYOVOIRBKWUKGR-UHFFFAOYSA-N 1 0 329.404 2.349 20 5 EEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122903560 463300112 /nfs/dbraw/zinc/30/01/12/463300112.db2.gz IXROXCCBKSJLHQ-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO COc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000097032678 463305527 /nfs/dbraw/zinc/30/55/27/463305527.db2.gz XSBKFGFXICKURJ-UHFFFAOYSA-N 1 0 332.335 2.464 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069780182 463325770 /nfs/dbraw/zinc/32/57/70/463325770.db2.gz AGUBNNWOCSQDEF-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522048024 468351589 /nfs/dbraw/zinc/35/15/89/468351589.db2.gz NOPZOGUHOCBHKV-AWEZNQCLSA-N 1 0 339.399 2.431 20 5 EEBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000144589126 463377318 /nfs/dbraw/zinc/37/73/18/463377318.db2.gz DLTVDAFOWFKLTH-HOCLYGCPSA-N 1 0 349.431 2.000 20 5 EEBDRO C[C@]1(O)CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000124266900 463403419 /nfs/dbraw/zinc/40/34/19/463403419.db2.gz FEMOPVBKELAJDV-AWEZNQCLSA-N 1 0 327.768 2.034 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081364535 463425077 /nfs/dbraw/zinc/42/50/77/463425077.db2.gz ODSVMHQQSZYFEG-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO CCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161963388 463472237 /nfs/dbraw/zinc/47/22/37/463472237.db2.gz ASWJXCBQVBOQHZ-LBPRGKRZSA-N 1 0 329.422 2.041 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000083025958 463529199 /nfs/dbraw/zinc/52/91/99/463529199.db2.gz AEEVJONSEAQYKN-HUUCEWRRSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085362294 463646665 /nfs/dbraw/zinc/64/66/65/463646665.db2.gz RHOWUIYJANJNLH-ZDUSSCGKSA-N 1 0 336.436 2.413 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000286811306 463711648 /nfs/dbraw/zinc/71/16/48/463711648.db2.gz UFNGAOVRVJWDNZ-PBHICJAKSA-N 1 0 346.431 2.406 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000276915590 463805446 /nfs/dbraw/zinc/80/54/46/463805446.db2.gz PVTVWKVJXQVPMD-YGRLFVJLSA-N 1 0 333.388 2.124 20 5 EEBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178759834 463965008 /nfs/dbraw/zinc/96/50/08/463965008.db2.gz HNMPYXCOTFWGPX-JTQLQIEISA-N 1 0 327.768 2.155 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971150 468387979 /nfs/dbraw/zinc/38/79/79/468387979.db2.gz RUIOKFSXEAHGSR-CVEARBPZSA-N 1 0 334.372 2.413 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279165790 464051602 /nfs/dbraw/zinc/05/16/02/464051602.db2.gz UKBKICGKSBMPFJ-HNNXBMFYSA-N 1 0 347.415 2.189 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000263283903 464077558 /nfs/dbraw/zinc/07/75/58/464077558.db2.gz USGRSVRVFNCHCQ-CJNGLKHVSA-N 1 0 335.360 2.228 20 5 EEBDRO NC(=O)c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000172582930 464111636 /nfs/dbraw/zinc/11/16/36/464111636.db2.gz KGLYTLBHWGDUGE-UHFFFAOYSA-N 1 0 346.431 2.144 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802687 464146283 /nfs/dbraw/zinc/14/62/83/464146283.db2.gz DWAOXYSIRGHJOZ-CZUORRHYSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000263722148 464167588 /nfs/dbraw/zinc/16/75/88/464167588.db2.gz KAEVEVKELIWXEM-ZIAGYGMSSA-N 1 0 334.420 2.315 20 5 EEBDRO CSC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292313685 464193426 /nfs/dbraw/zinc/19/34/26/464193426.db2.gz DVKIJZUIHLUUMV-UONOGXRCSA-N 1 0 340.445 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000292395692 464218426 /nfs/dbraw/zinc/21/84/26/464218426.db2.gz YJPWRTDWLKDWBI-OLZOCXBDSA-N 1 0 326.418 2.331 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236798302 464226422 /nfs/dbraw/zinc/22/64/22/464226422.db2.gz WPEAHRMTXYINNM-UHFFFAOYSA-N 1 0 334.420 2.442 20 5 EEBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000188380978 464267806 /nfs/dbraw/zinc/26/78/06/464267806.db2.gz MWXGQHLHEKYNPD-UHFFFAOYSA-N 1 0 331.376 2.422 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173881717 464325014 /nfs/dbraw/zinc/32/50/14/464325014.db2.gz YPVHOXGZBWBGHM-KBPBESRZSA-N 1 0 334.420 2.195 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173992852 464346032 /nfs/dbraw/zinc/34/60/32/464346032.db2.gz NNSJALBHQODHIZ-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000174149941 464368604 /nfs/dbraw/zinc/36/86/04/464368604.db2.gz DSMXZICDLXWBHK-AWEZNQCLSA-N 1 0 334.420 2.217 20 5 EEBDRO [NH3+]C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000237808011 464382518 /nfs/dbraw/zinc/38/25/18/464382518.db2.gz TWDQTFPWFLCRRR-KRWDZBQOSA-N 1 0 325.368 2.222 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264643607 464407103 /nfs/dbraw/zinc/40/71/03/464407103.db2.gz NLKNETSAMQMJMO-UHFFFAOYSA-N 1 0 343.431 2.217 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCOCC2)o1 ZINC000237954756 464410143 /nfs/dbraw/zinc/41/01/43/464410143.db2.gz KQOUQIXMDOBPFE-UHFFFAOYSA-N 1 0 331.372 2.277 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238131465 464433783 /nfs/dbraw/zinc/43/37/83/464433783.db2.gz ZPVCNLYYMUKOPS-KRWDZBQOSA-N 1 0 340.383 2.010 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339729987 465474161 /nfs/dbraw/zinc/47/41/61/465474161.db2.gz DCHKTAQJWKNRKP-MRXNPFEDSA-N 1 0 335.404 2.228 20 5 EEBDRO CC1(C)CCC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000343113279 465476421 /nfs/dbraw/zinc/47/64/21/465476421.db2.gz YNURVUFLCZXGGL-UHFFFAOYSA-N 1 0 345.403 2.778 20 5 EEBDRO COc1cc(C(=O)NCCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294426897 464497202 /nfs/dbraw/zinc/49/72/02/464497202.db2.gz NOMXCPFZXAWVKX-UHFFFAOYSA-N 1 0 339.367 2.348 20 5 EEBDRO COC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225426 464524795 /nfs/dbraw/zinc/52/47/95/464524795.db2.gz SVHAMYOINBTEFD-IUODEOHRSA-N 1 0 333.388 2.220 20 5 EEBDRO CCOC(=O)c1ccnc(NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272395891 464590458 /nfs/dbraw/zinc/59/04/58/464590458.db2.gz AEZYBBWTQSRJPN-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000182222934 464603508 /nfs/dbraw/zinc/60/35/08/464603508.db2.gz JHZPVMJMEUTADF-NSHDSACASA-N 1 0 338.383 2.310 20 5 EEBDRO CC(C)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285613629 464628341 /nfs/dbraw/zinc/62/83/41/464628341.db2.gz DDJRDNFDZZNUSS-DLBZAZTESA-N 1 0 347.415 2.263 20 5 EEBDRO CC[NH+](CC)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272516395 464640500 /nfs/dbraw/zinc/64/05/00/464640500.db2.gz KDQNCBKNQQVVGM-INIZCTEOSA-N 1 0 331.420 2.349 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272540829 464652329 /nfs/dbraw/zinc/65/23/29/464652329.db2.gz BYOMHADDWNGOEY-DOMZBBRYSA-N 1 0 335.429 2.240 20 5 EEBDRO CC(C)OCCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265874388 464717770 /nfs/dbraw/zinc/71/77/70/464717770.db2.gz NBZKWXJOUCZYDP-OAHLLOKOSA-N 1 0 326.393 2.081 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000295181514 464735683 /nfs/dbraw/zinc/73/56/83/464735683.db2.gz HPYLDDCSPSYQOW-CQSZACIVSA-N 1 0 337.423 2.398 20 5 EEBDRO CC(C)N1CC[NH+](C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000282285015 464764073 /nfs/dbraw/zinc/76/40/73/464764073.db2.gz VKRRUUNJWSBAMA-UHFFFAOYSA-N 1 0 347.463 2.172 20 5 EEBDRO CCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000191069266 464772110 /nfs/dbraw/zinc/77/21/10/464772110.db2.gz RMQHRYRAIULCMJ-GJZGRUSLSA-N 1 0 337.420 2.330 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295361286 464803592 /nfs/dbraw/zinc/80/35/92/464803592.db2.gz JDNLUPGWXLPSIX-UHFFFAOYSA-N 1 0 338.383 2.014 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000286297110 464872175 /nfs/dbraw/zinc/87/21/75/464872175.db2.gz DGQXSPRZFMLGHB-CQSZACIVSA-N 1 0 335.404 2.484 20 5 EEBDRO CCOC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000286308640 464875295 /nfs/dbraw/zinc/87/52/95/464875295.db2.gz WAKBMAWXDVNZGQ-HNNXBMFYSA-N 1 0 335.404 2.135 20 5 EEBDRO CN(C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266943414 464879580 /nfs/dbraw/zinc/87/95/80/464879580.db2.gz RXPMQZYMDCSXDE-CYBMUJFWSA-N 1 0 343.387 2.160 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000286516730 464945046 /nfs/dbraw/zinc/94/50/46/464945046.db2.gz BBUYFVNQFZIUFF-HOCLYGCPSA-N 1 0 346.431 2.406 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184449599 464977384 /nfs/dbraw/zinc/97/73/84/464977384.db2.gz SLWAYPCSTTZQGR-ZDUSSCGKSA-N 1 0 332.404 2.125 20 5 EEBDRO COc1cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000554606505 468430211 /nfs/dbraw/zinc/43/02/11/468430211.db2.gz WLKVAIMXOZTJAQ-CYBMUJFWSA-N 1 0 337.420 2.432 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000298373634 465377201 /nfs/dbraw/zinc/37/72/01/465377201.db2.gz AAGZMEWJXQHCSW-UHFFFAOYSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1C1CC1 ZINC000342935567 465399231 /nfs/dbraw/zinc/39/92/31/465399231.db2.gz SMINHBIDGNBJON-GHMZBOCLSA-N 1 0 328.372 2.431 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000593919626 468434408 /nfs/dbraw/zinc/43/44/08/468434408.db2.gz VOJWHBYQJMKDCM-UHFFFAOYSA-N 1 0 328.372 2.263 20 5 EEBDRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359967843 465512995 /nfs/dbraw/zinc/51/29/95/465512995.db2.gz ZYAUGTDFYDVYLW-ZIAGYGMSSA-N 1 0 345.321 2.441 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[NH2+]C3(CCC3)C1)OCCO2 ZINC000591282651 468438069 /nfs/dbraw/zinc/43/80/69/468438069.db2.gz KTWWZHBISOEPJL-CYBMUJFWSA-N 1 0 333.388 2.130 20 5 EEBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000343807029 465557354 /nfs/dbraw/zinc/55/73/54/465557354.db2.gz NXLGFYZKQYDGIQ-ZDUSSCGKSA-N 1 0 330.388 2.931 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1CC(F)(F)C1 ZINC000579944177 468439132 /nfs/dbraw/zinc/43/91/32/468439132.db2.gz BAWLKGOEBAAXLY-LBPRGKRZSA-N 1 0 330.331 2.360 20 5 EEBDRO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000337799368 465590691 /nfs/dbraw/zinc/59/06/91/465590691.db2.gz HJPAYHXHHZJAIP-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000366428931 465722116 /nfs/dbraw/zinc/72/21/16/465722116.db2.gz MHZUKEBJLNWJDU-USXIJHARSA-N 1 0 347.415 2.227 20 5 EEBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3COC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348640626 465723785 /nfs/dbraw/zinc/72/37/85/465723785.db2.gz HTHJOAVSZMWAKR-JKSUJKDBSA-N 1 0 348.355 2.055 20 5 EEBDRO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059500 465734091 /nfs/dbraw/zinc/73/40/91/465734091.db2.gz XFHQNJPUJZFRAJ-LSDHHAIUSA-N 1 0 341.415 2.037 20 5 EEBDRO CNc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000361211380 465839638 /nfs/dbraw/zinc/83/96/38/465839638.db2.gz HJWXNDPGNHIUNH-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000366660280 465860752 /nfs/dbraw/zinc/86/07/52/465860752.db2.gz AXWWSZYHTGKVPT-SJORKVTESA-N 1 0 344.415 2.278 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253821 465865689 /nfs/dbraw/zinc/86/56/89/465865689.db2.gz USKVEPOSFGAIBK-RYUDHWBXSA-N 1 0 331.376 2.298 20 5 EEBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000348929480 465880021 /nfs/dbraw/zinc/88/00/21/465880021.db2.gz UXTXVGKTEOJVJK-HNNXBMFYSA-N 1 0 333.388 2.424 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000340240608 465911158 /nfs/dbraw/zinc/91/11/58/465911158.db2.gz VKKKICXNOUMPKQ-CHWSQXEVSA-N 1 0 341.433 2.136 20 5 EEBDRO CC[N@H+](CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493874 465929806 /nfs/dbraw/zinc/92/98/06/465929806.db2.gz ABLQNHMGUQXMHX-KRWDZBQOSA-N 1 0 343.431 2.492 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345146 466045149 /nfs/dbraw/zinc/04/51/49/466045149.db2.gz RZMSQGYYJZBTOJ-RYUDHWBXSA-N 1 0 335.335 2.219 20 5 EEBDRO CNC(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000340408585 466071872 /nfs/dbraw/zinc/07/18/72/466071872.db2.gz LRCNHFGIGQQLFH-UHFFFAOYSA-N 1 0 328.372 2.198 20 5 EEBDRO CC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000340466857 466109194 /nfs/dbraw/zinc/10/91/94/466109194.db2.gz RSIFOSPUJKTOQF-UHFFFAOYSA-N 1 0 343.330 2.297 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302654981 466162881 /nfs/dbraw/zinc/16/28/81/466162881.db2.gz NTJFBWNFABYPOQ-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)[C@@H]1C ZINC000353862282 466207974 /nfs/dbraw/zinc/20/79/74/466207974.db2.gz BWOFTQKSJJOUKX-BZPMIXESSA-N 1 0 326.418 2.081 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000353862284 466208166 /nfs/dbraw/zinc/20/81/66/466208166.db2.gz BWOFTQKSJJOUKX-YRGRVCCFSA-N 1 0 326.418 2.081 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331709528 466210009 /nfs/dbraw/zinc/21/00/09/466210009.db2.gz FCHWZSCSONILAA-RDTXWAMCSA-N 1 0 347.415 2.105 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597203065 468479373 /nfs/dbraw/zinc/47/93/73/468479373.db2.gz MDRFUAUIFHFTMD-HAZIXKIPSA-N 1 0 331.416 2.405 20 5 EEBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000372297482 466286725 /nfs/dbraw/zinc/28/67/25/466286725.db2.gz INMKJIYDKNKUML-HNNXBMFYSA-N 1 0 326.356 2.292 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000331911017 466302664 /nfs/dbraw/zinc/30/26/64/466302664.db2.gz YHQIKKQDLWDHHU-HZSPNIEDSA-N 1 0 349.435 2.289 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000305455947 466410513 /nfs/dbraw/zinc/41/05/13/466410513.db2.gz TVVACTIQJMHLRA-WBMJQRKESA-N 1 0 335.404 2.325 20 5 EEBDRO COc1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000332229940 466457881 /nfs/dbraw/zinc/45/78/81/466457881.db2.gz PSSYHEOBRIUVQJ-GXTWGEPZSA-N 1 0 333.388 2.160 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)nc1 ZINC000305851059 466481804 /nfs/dbraw/zinc/48/18/04/466481804.db2.gz UWVKFMNIDLBGGN-OAHLLOKOSA-N 1 0 328.372 2.169 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000332301626 466497991 /nfs/dbraw/zinc/49/79/91/466497991.db2.gz KTOJTYRZHFAXLJ-KBPBESRZSA-N 1 0 333.388 2.268 20 5 EEBDRO CN(c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367737563 466525365 /nfs/dbraw/zinc/52/53/65/466525365.db2.gz NBDDRRLWRGEKKY-QYJAPNMZSA-N 1 0 343.387 2.305 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000341057290 466547987 /nfs/dbraw/zinc/54/79/87/466547987.db2.gz VCTFYCIPBDMBKM-UHFFFAOYSA-N 1 0 335.452 2.152 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000317825109 466583615 /nfs/dbraw/zinc/58/36/15/466583615.db2.gz VURHSNMVIPKBAE-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354463870 466587466 /nfs/dbraw/zinc/58/74/66/466587466.db2.gz PYVQJQVFIBLTIA-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO C[C@@H](C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO)c1ccccc1 ZINC000347363036 466591587 /nfs/dbraw/zinc/59/15/87/466591587.db2.gz JKDOWXXIDMRHOG-GJZGRUSLSA-N 1 0 332.404 2.278 20 5 EEBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000591681080 468502211 /nfs/dbraw/zinc/50/22/11/468502211.db2.gz QJAWVMRGUGGIMO-MRXNPFEDSA-N 1 0 343.383 2.352 20 5 EEBDRO CC[C@H]([NH2+]C1CCN(C(=O)COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000324930703 466650815 /nfs/dbraw/zinc/65/08/15/466650815.db2.gz XMRLGBVBDNDMKB-INIZCTEOSA-N 1 0 335.404 2.273 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363938020 466662103 /nfs/dbraw/zinc/66/21/03/466662103.db2.gz NCHGCHPTDKWVNS-OLZOCXBDSA-N 1 0 348.359 2.168 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c([N+](=O)[O-])c1 ZINC000423241496 466702371 /nfs/dbraw/zinc/70/23/71/466702371.db2.gz YACCGIDHCBMLTD-UKRRQHHQSA-N 1 0 334.420 2.210 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423698935 466807520 /nfs/dbraw/zinc/80/75/20/466807520.db2.gz OLIOUALNHFAISW-SMDDNHRTSA-N 1 0 349.387 2.019 20 5 EEBDRO C[C@H](c1cnn(C)c1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411505134 466836589 /nfs/dbraw/zinc/83/65/89/466836589.db2.gz WTSQMNQCEOOSMN-GFCCVEGCSA-N 1 0 331.376 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+]([C@H]3CCOC3)CC1)CCN2 ZINC000365550957 466859941 /nfs/dbraw/zinc/85/99/41/466859941.db2.gz UIYMPMGXTRXKQB-ZDUSSCGKSA-N 1 0 332.404 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3CO)s2)cc1 ZINC000370398398 466862037 /nfs/dbraw/zinc/86/20/37/466862037.db2.gz HRQMVTBBWPXIQV-ZIAGYGMSSA-N 1 0 334.397 2.251 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000365604118 466879146 /nfs/dbraw/zinc/87/91/46/466879146.db2.gz VKUJTAWEFCBQOA-MSOLQXFVSA-N 1 0 349.431 2.207 20 5 EEBDRO O=C(CC[N@H+]1CC[C@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411757468 466894651 /nfs/dbraw/zinc/89/46/51/466894651.db2.gz MKKKUBJXYHCKRF-HNNXBMFYSA-N 1 0 333.388 2.303 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417717068 466916317 /nfs/dbraw/zinc/91/63/17/466916317.db2.gz MIIZAKLMCBUNPA-UONOGXRCSA-N 1 0 349.435 2.132 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000373779300 466918461 /nfs/dbraw/zinc/91/84/61/466918461.db2.gz XSTNLMUTBARGHI-QGPMSJSTSA-N 1 0 349.431 2.287 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000370658271 466957000 /nfs/dbraw/zinc/95/70/00/466957000.db2.gz UIYFLYCBJNUIIF-KRWDZBQOSA-N 1 0 333.388 2.079 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+]4CCC[C@@H]4C3)cc2N1 ZINC000377318954 467053218 /nfs/dbraw/zinc/05/32/18/467053218.db2.gz BKYFBXARNWVVJM-CYBMUJFWSA-N 1 0 330.388 2.154 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238161 467082686 /nfs/dbraw/zinc/08/26/86/467082686.db2.gz WZVJFFMYTORVMF-PMOUVXMZSA-N 1 0 332.404 2.343 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000425505077 467101793 /nfs/dbraw/zinc/10/17/93/467101793.db2.gz MZQOWVKSGOAEJS-UHFFFAOYSA-N 1 0 343.374 2.416 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427617880 467167529 /nfs/dbraw/zinc/16/75/29/467167529.db2.gz LEPMKYVQQWFSKO-JBLDHEPKSA-N 1 0 341.795 2.130 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc43)C[C@@H]21 ZINC000413286964 467208006 /nfs/dbraw/zinc/20/80/06/467208006.db2.gz FBQMJQGUXWEMHS-JKSUJKDBSA-N 1 0 328.372 2.052 20 5 EEBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000432180895 467222610 /nfs/dbraw/zinc/22/26/10/467222610.db2.gz XWTMDWLOQXRVIB-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000428522074 467242305 /nfs/dbraw/zinc/24/23/05/467242305.db2.gz ADUVSIHJSUIZQU-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO CN(C(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000429311158 467324636 /nfs/dbraw/zinc/32/46/36/467324636.db2.gz BQCACXGXYDMOKG-ZDUSSCGKSA-N 1 0 341.367 2.020 20 5 EEBDRO C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000420286930 467338860 /nfs/dbraw/zinc/33/88/60/467338860.db2.gz HBLDEVNZPDCQHI-IINYFYTJSA-N 1 0 340.811 2.246 20 5 EEBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](O)C[NH3+] ZINC000415067303 467480520 /nfs/dbraw/zinc/48/05/20/467480520.db2.gz KNTWWULNUVGAFK-NSHDSACASA-N 1 0 339.779 2.260 20 5 EEBDRO CNc1nc(C(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000454510292 467597323 /nfs/dbraw/zinc/59/73/23/467597323.db2.gz XLDPUPWSRBCUDO-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449538101 467659961 /nfs/dbraw/zinc/65/99/61/467659961.db2.gz GZLDYVGVQYZRBX-KOLCDFICSA-N 1 0 348.346 2.496 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449686495 467689128 /nfs/dbraw/zinc/68/91/28/467689128.db2.gz YTGYKVGMAVTIGL-AWEZNQCLSA-N 1 0 343.387 2.043 20 5 EEBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496749674 467709625 /nfs/dbraw/zinc/70/96/25/467709625.db2.gz UKKQCEFWPIXKFU-BXUZGUMPSA-N 1 0 339.392 2.131 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000493062167 467831794 /nfs/dbraw/zinc/83/17/94/467831794.db2.gz ZMTJHQQWTXZYFP-RJYRWYAASA-N 1 0 333.363 2.333 20 5 EEBDRO Cc1nc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000450419278 467847302 /nfs/dbraw/zinc/84/73/02/467847302.db2.gz NXNZQKYUSVLNRI-UHFFFAOYSA-N 1 0 342.403 2.441 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532057187 468093792 /nfs/dbraw/zinc/09/37/92/468093792.db2.gz HOHWRLBIPWXTJY-HNNXBMFYSA-N 1 0 349.431 2.240 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@H](C)C1 ZINC000532530735 468123017 /nfs/dbraw/zinc/12/30/17/468123017.db2.gz MHFBCYZADIEQIF-KBPBESRZSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000518795787 468126750 /nfs/dbraw/zinc/12/67/50/468126750.db2.gz DQRGRIPKNCVTPD-AWEZNQCLSA-N 1 0 335.404 2.295 20 5 EEBDRO CSC1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000589605313 468165775 /nfs/dbraw/zinc/16/57/75/468165775.db2.gz PWEQLGLTAUFAQL-UHFFFAOYSA-N 1 0 347.444 2.777 20 5 EEBDRO CC1(C)CC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567711989 468192133 /nfs/dbraw/zinc/19/21/33/468192133.db2.gz YUAXYRFWTQKEBC-UHFFFAOYSA-N 1 0 326.418 2.394 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000533861531 468226615 /nfs/dbraw/zinc/22/66/15/468226615.db2.gz VCHDDWJDTCFEPQ-GFCCVEGCSA-N 1 0 344.371 2.184 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000490790312 468251576 /nfs/dbraw/zinc/25/15/76/468251576.db2.gz OIFLNQQYHHKGKR-XITLMJRVSA-N 1 0 347.415 2.081 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195319 468508627 /nfs/dbraw/zinc/50/86/27/468508627.db2.gz FNZGYIOGDOVTAV-OLZOCXBDSA-N 1 0 347.371 2.070 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556193033 468514348 /nfs/dbraw/zinc/51/43/48/468514348.db2.gz NJPAFQPTQXUYQE-KRWDZBQOSA-N 1 0 347.463 2.375 20 5 EEBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594437356 468587223 /nfs/dbraw/zinc/58/72/23/468587223.db2.gz VQPGPZHSPRATSQ-SJLPKXTDSA-N 1 0 329.400 2.476 20 5 EEBDRO Cc1nn(-c2ccccc2F)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594498220 468608912 /nfs/dbraw/zinc/60/89/12/468608912.db2.gz OVKCRSIUVJBIAU-UHFFFAOYSA-N 1 0 344.350 2.214 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594515712 468613441 /nfs/dbraw/zinc/61/34/41/468613441.db2.gz PMCQPRISEWLFHX-ICDLMJIXSA-N 1 0 327.388 2.274 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000594730218 468667250 /nfs/dbraw/zinc/66/72/50/468667250.db2.gz CPVVKEKHAGLSEP-LLVKDONJSA-N 1 0 345.186 2.249 20 5 EEBDRO Cc1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1[N+](=O)[O-] ZINC000592477636 468706849 /nfs/dbraw/zinc/70/68/49/468706849.db2.gz FPXYDVHPMYQHKB-LLVKDONJSA-N 1 0 329.360 2.188 20 5 EEBDRO C[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592489564 468711010 /nfs/dbraw/zinc/71/10/10/468711010.db2.gz NPMXBTRLTQQRIG-WCQYABFASA-N 1 0 343.387 2.118 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554675 468729579 /nfs/dbraw/zinc/72/95/79/468729579.db2.gz LQNDFEKDGQGOLL-HZPDHXFCSA-N 1 0 331.416 2.376 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000598061886 468755638 /nfs/dbraw/zinc/75/56/38/468755638.db2.gz JDDONAUCAISIDO-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258934 468795212 /nfs/dbraw/zinc/79/52/12/468795212.db2.gz WUSDORLXZKSDED-CZUORRHYSA-N 1 0 335.404 2.340 20 5 EEBDRO COc1cccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598260776 468809809 /nfs/dbraw/zinc/80/98/09/468809809.db2.gz NTRMCIQERMIDBM-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595370921 468828794 /nfs/dbraw/zinc/82/87/94/468828794.db2.gz LYVOFKNYPCWNOZ-OWCLPIDISA-N 1 0 347.463 2.454 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595444734 468855576 /nfs/dbraw/zinc/85/55/76/468855576.db2.gz CWEKIMQEOQYXKR-SNVBAGLBSA-N 1 0 349.284 2.234 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593187948 468898598 /nfs/dbraw/zinc/89/85/98/468898598.db2.gz WKIQPOPTRRMZFG-MCIONIFRSA-N 1 0 335.404 2.303 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537623 468904787 /nfs/dbraw/zinc/90/47/87/468904787.db2.gz KDTCYHVVQNCSJT-UHFFFAOYSA-N 1 0 347.415 2.212 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595576242 468908574 /nfs/dbraw/zinc/90/85/74/468908574.db2.gz XHRAIYHCFVBSDV-CQSZACIVSA-N 1 0 334.420 2.309 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598589787 468925150 /nfs/dbraw/zinc/92/51/50/468925150.db2.gz JNIWZUKAJSJIQH-NWDGAFQWSA-N 1 0 336.392 2.451 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598617331 468934738 /nfs/dbraw/zinc/93/47/38/468934738.db2.gz IPAIQCWXVJZKDL-UHFFFAOYSA-N 1 0 336.392 2.089 20 5 EEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000598668445 468952145 /nfs/dbraw/zinc/95/21/45/468952145.db2.gz SUTDKCQNYMQAHJ-RDTXWAMCSA-N 1 0 344.415 2.148 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593492596 469003349 /nfs/dbraw/zinc/00/33/49/469003349.db2.gz AIZSZMJZZHNJAJ-CYBMUJFWSA-N 1 0 337.395 2.467 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000595790216 469011835 /nfs/dbraw/zinc/01/18/35/469011835.db2.gz VFCNRMOSHXUPOM-QGZVFWFLSA-N 1 0 347.415 2.475 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000614711759 469025909 /nfs/dbraw/zinc/02/59/09/469025909.db2.gz ROXZMPWVGXOILA-UKRRQHHQSA-N 1 0 328.372 2.356 20 5 EEBDRO O=C1CCCN1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602709262 469026271 /nfs/dbraw/zinc/02/62/71/469026271.db2.gz CQXHRBUDZTZEKX-UHFFFAOYSA-N 1 0 331.294 2.326 20 5 EEBDRO Cc1ncccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602726273 469034227 /nfs/dbraw/zinc/03/42/27/469034227.db2.gz PFVMIDJOIVUZDZ-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000602769707 469062659 /nfs/dbraw/zinc/06/26/59/469062659.db2.gz OWIYATPNVOURBX-UHFFFAOYSA-N 1 0 335.452 2.298 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000602772779 469064086 /nfs/dbraw/zinc/06/40/86/469064086.db2.gz KEXIJRWMAZIIHH-OAHLLOKOSA-N 1 0 334.351 2.312 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 ZINC000610826326 469081523 /nfs/dbraw/zinc/08/15/23/469081523.db2.gz WELYFPVSZWGPQE-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000602803907 469085727 /nfs/dbraw/zinc/08/57/27/469085727.db2.gz GZDDLTJCOZDLNS-HNNXBMFYSA-N 1 0 334.351 2.392 20 5 EEBDRO COc1ccc2c(c1)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602801577 469086392 /nfs/dbraw/zinc/08/63/92/469086392.db2.gz WLCRNJNJGBGCQH-UHFFFAOYSA-N 1 0 330.388 2.209 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000599018997 469089802 /nfs/dbraw/zinc/08/98/02/469089802.db2.gz AFHOSJWFSJGHTI-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000602812785 469092410 /nfs/dbraw/zinc/09/24/10/469092410.db2.gz ZPJBOXCHLUDPEC-CQSZACIVSA-N 1 0 338.408 2.153 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595961252 469098593 /nfs/dbraw/zinc/09/85/93/469098593.db2.gz JXZQCSHHHBXPEK-UHFFFAOYSA-N 1 0 334.420 2.007 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](O)C1 ZINC000599091526 469115706 /nfs/dbraw/zinc/11/57/06/469115706.db2.gz BKXFXFMLGXHZGI-KGLIPLIRSA-N 1 0 339.461 2.122 20 5 EEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](c2ccccc2)C1 ZINC000596062876 469134120 /nfs/dbraw/zinc/13/41/20/469134120.db2.gz SQJWTHDEJMYWDO-KRWDZBQOSA-N 1 0 340.383 2.187 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000602956000 469189932 /nfs/dbraw/zinc/18/99/32/469189932.db2.gz GXUUHDXKDKYSPS-UHFFFAOYSA-N 1 0 349.435 2.304 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000602958997 469190780 /nfs/dbraw/zinc/19/07/80/469190780.db2.gz SGLOZUNVAKFZRA-UHFFFAOYSA-N 1 0 347.419 2.202 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244107 469207209 /nfs/dbraw/zinc/20/72/09/469207209.db2.gz AXGLRTQEFNGFKB-SUMWQHHRSA-N 1 0 346.431 2.070 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000596467832 469277062 /nfs/dbraw/zinc/27/70/62/469277062.db2.gz VHFRCDIVCXELEN-HNNXBMFYSA-N 1 0 327.388 2.138 20 5 EEBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000602435057 469315201 /nfs/dbraw/zinc/31/52/01/469315201.db2.gz SOAMZGCEOUZIFW-DTORHVGOSA-N 1 0 342.193 2.180 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000602527652 469350665 /nfs/dbraw/zinc/35/06/65/469350665.db2.gz JZEPVAZCVYKTDW-INIZCTEOSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000602585397 469372904 /nfs/dbraw/zinc/37/29/04/469372904.db2.gz PODVALZUTXTTQX-UHFFFAOYSA-N 1 0 341.367 2.179 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCOC1 ZINC000602610388 469383836 /nfs/dbraw/zinc/38/38/36/469383836.db2.gz ZZJCSRXHPLKLKA-KGLIPLIRSA-N 1 0 334.420 2.363 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000603415238 469386374 /nfs/dbraw/zinc/38/63/74/469386374.db2.gz WKHZNUKTKUJOFJ-UHFFFAOYSA-N 1 0 336.392 2.034 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000612443805 469467186 /nfs/dbraw/zinc/46/71/86/469467186.db2.gz HVHGQSALGPFJLD-ZDUSSCGKSA-N 1 0 327.388 2.460 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000619265535 469563760 /nfs/dbraw/zinc/56/37/60/469563760.db2.gz SXGFMZJAFKEYBU-LLVKDONJSA-N 1 0 335.795 2.319 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619818362 469686589 /nfs/dbraw/zinc/68/65/89/469686589.db2.gz VLIJSGSVYOEJSG-MRXNPFEDSA-N 1 0 334.420 2.263 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609135538 469894279 /nfs/dbraw/zinc/89/42/79/469894279.db2.gz PPYBISQBGAJCJH-AWEZNQCLSA-N 1 0 335.404 2.135 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609449624 469928540 /nfs/dbraw/zinc/92/85/40/469928540.db2.gz CDZPFPBKFCSDDS-WMLDXEAASA-N 1 0 346.431 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609626456 469951152 /nfs/dbraw/zinc/95/11/52/469951152.db2.gz RVRQZQYVNVTXPK-SFHVURJKSA-N 1 0 333.432 2.324 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000609849096 469966171 /nfs/dbraw/zinc/96/61/71/469966171.db2.gz ZYAGCEKPHAVSFZ-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610294258 470001217 /nfs/dbraw/zinc/00/12/17/470001217.db2.gz ANZOSVAJMRSCST-CQSZACIVSA-N 1 0 334.420 2.022 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2csc3ccccc23)c1 ZINC000610336091 470005202 /nfs/dbraw/zinc/00/52/02/470005202.db2.gz SHVOIPAMGNQKGA-CQSZACIVSA-N 1 0 346.412 2.199 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595634273 485606834 /nfs/dbraw/zinc/60/68/34/485606834.db2.gz HIALIHUVZHEANI-JFILPPLUSA-N 1 0 333.388 2.015 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000132118765 534321808 /nfs/dbraw/zinc/32/18/08/534321808.db2.gz QHWXZMWNCGDWDD-OAHLLOKOSA-N 1 0 345.374 2.460 20 5 EEBDRO O=C(CC[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411167305 534392710 /nfs/dbraw/zinc/39/27/10/534392710.db2.gz NXCZKKUEZFHCQZ-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000183558876 534424722 /nfs/dbraw/zinc/42/47/22/534424722.db2.gz APAPUEVNKMOLKW-WFASDCNBSA-N 1 0 345.403 2.470 20 5 EEBDRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817648 529133115 /nfs/dbraw/zinc/13/31/15/529133115.db2.gz QCLKIATUZHSLPS-CABCVRRESA-N 1 0 348.447 2.106 20 5 EEBDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000424198626 536309538 /nfs/dbraw/zinc/30/95/38/536309538.db2.gz DCHUUBKNHFIRPD-AWEZNQCLSA-N 1 0 343.339 2.092 20 5 EEBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729509447 576662175 /nfs/dbraw/zinc/66/21/75/576662175.db2.gz OTKACCQPBYLLCP-UHFFFAOYSA-N 1 0 334.420 2.480 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730804211 577058144 /nfs/dbraw/zinc/05/81/44/577058144.db2.gz FFXGLLHELJNZOL-CQSZACIVSA-N 1 0 346.387 2.020 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000733165782 577206109 /nfs/dbraw/zinc/20/61/09/577206109.db2.gz MCPMMTRRPILKOH-INIZCTEOSA-N 1 0 345.403 2.097 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000733299391 577221032 /nfs/dbraw/zinc/22/10/32/577221032.db2.gz CRFALXYJLDHERX-CQSZACIVSA-N 1 0 346.431 2.454 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000771804237 577231034 /nfs/dbraw/zinc/23/10/34/577231034.db2.gz CSHNPYCACLDJAL-JTQLQIEISA-N 1 0 332.303 2.065 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772055554 577248327 /nfs/dbraw/zinc/24/83/27/577248327.db2.gz XUENDDRJBPHBGX-UHFFFAOYSA-N 1 0 332.360 2.279 20 5 EEBDRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273897 577456228 /nfs/dbraw/zinc/45/62/28/577456228.db2.gz DXLLTAPEHJJIBX-KRWDZBQOSA-N 1 0 343.383 2.006 20 5 EEBDRO Cc1noc(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776578660 577463054 /nfs/dbraw/zinc/46/30/54/577463054.db2.gz HIPCQVZEBXLXGD-OAHLLOKOSA-N 1 0 332.360 2.199 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000762816405 577708532 /nfs/dbraw/zinc/70/85/32/577708532.db2.gz ZORYKWLYTNOCQN-LLVKDONJSA-N 1 0 349.416 2.202 20 5 EEBDRO [NH2+]=C(NOCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 ZINC000764570394 577738987 /nfs/dbraw/zinc/73/89/87/577738987.db2.gz HDZMIBQGUWCTLY-OAHLLOKOSA-N 1 0 329.312 2.433 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H]([NH+]4CC=CC4)C3)c2)cc1 ZINC000742161071 578128155 /nfs/dbraw/zinc/12/81/55/578128155.db2.gz FEHNBBCJEPQUDN-GOSISDBHSA-N 1 0 339.399 2.362 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824261110 607736356 /nfs/dbraw/zinc/73/63/56/607736356.db2.gz AOHCIXPWMLOSAJ-CYBMUJFWSA-N 1 0 345.407 2.307 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC001020402624 674637780 /nfs/dbraw/zinc/63/77/80/674637780.db2.gz SBPNSLOPZPEVPX-JOCQHMNTSA-N 1 0 332.335 2.113 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC001020782449 675492344 /nfs/dbraw/zinc/49/23/44/675492344.db2.gz TXJMBHRANSJMCR-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892419098 679767042 /nfs/dbraw/zinc/76/70/42/679767042.db2.gz ZVKBFXFEHXLIGU-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463041 679882421 /nfs/dbraw/zinc/88/24/21/679882421.db2.gz YIQFMWZJQQQULD-UHFFFAOYSA-N 1 0 332.404 2.145 20 5 EEBDRO CCN(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000177793459 681525056 /nfs/dbraw/zinc/52/50/56/681525056.db2.gz LQYFKEFJMYAQOP-OAHLLOKOSA-N 1 0 332.360 2.028 20 5 EEBDRO Cn1cccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983192084 681978305 /nfs/dbraw/zinc/97/83/05/681978305.db2.gz XETAGOZSPQZSLN-SHTZXODSSA-N 1 0 342.399 2.232 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000895245943 684381242 /nfs/dbraw/zinc/38/12/42/684381242.db2.gz KBPHVMQMTYCZTP-ZWNOBZJWSA-N 1 0 344.362 2.242 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000895280382 684425206 /nfs/dbraw/zinc/42/52/06/684425206.db2.gz SXLRMIHLMBBECE-CYBMUJFWSA-N 1 0 326.356 2.341 20 5 EEBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895330355 684505689 /nfs/dbraw/zinc/50/56/89/684505689.db2.gz LKEHNOQEQURIHV-WMLDXEAASA-N 1 0 332.356 2.172 20 5 EEBDRO CC(C)[NH+]1CCN(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000899912035 693922267 /nfs/dbraw/zinc/92/22/67/693922267.db2.gz ZQYAOZISXILFFS-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893384485 685153407 /nfs/dbraw/zinc/15/34/07/685153407.db2.gz RFNYTPXBAAMYOS-UHFFFAOYSA-N 1 0 344.415 2.367 20 5 EEBDRO C[C@H]1C[N@H+](CCCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000893387956 685199982 /nfs/dbraw/zinc/19/99/82/685199982.db2.gz DKCPMMLSITYXJF-NSHDSACASA-N 1 0 326.324 2.002 20 5 EEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000905088694 694520411 /nfs/dbraw/zinc/52/04/11/694520411.db2.gz KFLGFMAYLWAETR-UHFFFAOYSA-N 1 0 343.221 2.364 20 5 EEBDRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905256744 694582126 /nfs/dbraw/zinc/58/21/26/694582126.db2.gz QSHXBIQEJBOHHW-OAHLLOKOSA-N 1 0 335.404 2.387 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000072729573 1192964753 /nfs/dbraw/zinc/96/47/53/1192964753.db2.gz HNUGQKVZMZSPPV-UHFFFAOYSA-N 1 0 342.399 2.381 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001341870615 1181181723 /nfs/dbraw/zinc/18/17/23/1181181723.db2.gz BWZYOHJRELBDSP-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000905601551 1189788445 /nfs/dbraw/zinc/78/84/45/1189788445.db2.gz JPQHLIZKQXEUAY-DOTOQJQBSA-N 1 0 343.383 2.397 20 5 EEBDRO Cc1ccc(F)cc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005379237 1195335963 /nfs/dbraw/zinc/33/59/63/1195335963.db2.gz QOUJHTYOZKBZLK-IAGOWNOFSA-N 1 0 349.406 2.222 20 5 EEBDRO Cc1cc(C)cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005379221 1195336037 /nfs/dbraw/zinc/33/60/37/1195336037.db2.gz QJLYDPIHPNPCDB-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO COC(=O)c1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC000863716072 1197831845 /nfs/dbraw/zinc/83/18/45/1197831845.db2.gz NXEAWCFYSIGZNM-UHFFFAOYSA-N 1 0 344.371 2.245 20 5 EEBDRO CSC1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CC[NH+](C)CC1 ZINC000865818288 1198391385 /nfs/dbraw/zinc/39/13/85/1198391385.db2.gz UOBBCUZJUQVKTF-UHFFFAOYSA-N 1 0 343.424 2.466 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825692888 1198693371 /nfs/dbraw/zinc/69/33/71/1198693371.db2.gz KJSMKKGAHHUUCS-CQSZACIVSA-N 1 0 335.404 2.231 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000873842820 1198717221 /nfs/dbraw/zinc/71/72/21/1198717221.db2.gz HUJABKHTNJFKJP-OAHLLOKOSA-N 1 0 349.431 2.298 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825810417 1199368000 /nfs/dbraw/zinc/36/80/00/1199368000.db2.gz MVPDOKYPUWGNFS-MRXNPFEDSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000877345992 1199909528 /nfs/dbraw/zinc/90/95/28/1199909528.db2.gz FMFCJLBFQGMRPJ-HNNXBMFYSA-N 1 0 325.368 2.348 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000877353958 1199912015 /nfs/dbraw/zinc/91/20/15/1199912015.db2.gz YAIIDCMMDJNKSO-CQSZACIVSA-N 1 0 332.404 2.248 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878604356 1200568615 /nfs/dbraw/zinc/56/86/15/1200568615.db2.gz SQBFCZCXOQEMNN-GFCCVEGCSA-N 1 0 331.376 2.171 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCC[C@H]1O ZINC000879142456 1200885398 /nfs/dbraw/zinc/88/53/98/1200885398.db2.gz RRPBXEAZANVIAG-HUUCEWRRSA-N 1 0 339.367 2.298 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880209656 1201422724 /nfs/dbraw/zinc/42/27/24/1201422724.db2.gz WYHWDULJJQTQOU-QGZVFWFLSA-N 1 0 333.432 2.370 20 5 EEBDRO COCCN1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866243022 1201474824 /nfs/dbraw/zinc/47/48/24/1201474824.db2.gz VLEMWOWZVJZXFB-CYBMUJFWSA-N 1 0 339.411 2.365 20 5 EEBDRO C[NH+](C)CCOc1cc(CNc2ccnc(F)c2[N+](=O)[O-])ccn1 ZINC000882143046 1201821805 /nfs/dbraw/zinc/82/18/05/1201821805.db2.gz YZSZEWPMYZJBLI-UHFFFAOYSA-N 1 0 335.339 2.076 20 5 EEBDRO Cc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000882815468 1201949479 /nfs/dbraw/zinc/94/94/79/1201949479.db2.gz ISVKHYQIAWNQGS-UHFFFAOYSA-N 1 0 346.431 2.213 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001095441658 1205758336 /nfs/dbraw/zinc/75/83/36/1205758336.db2.gz RKAHOCIRAPWMDO-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO Cc1cc(N(C)CCCNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001095721684 1205924486 /nfs/dbraw/zinc/92/44/86/1205924486.db2.gz UILPDQZORDACOE-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112653 1206193570 /nfs/dbraw/zinc/19/35/70/1206193570.db2.gz BAJDZSGCMNCNOO-MFKMUULPSA-N 1 0 325.796 2.438 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778286116 1208064764 /nfs/dbraw/zinc/06/47/64/1208064764.db2.gz TUZUOVHKMINLLO-UHFFFAOYSA-N 1 0 337.405 2.013 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778938973 1208411828 /nfs/dbraw/zinc/41/18/28/1208411828.db2.gz HSKCMUYAIGGVQS-NSHDSACASA-N 1 0 327.331 2.287 20 5 EEBDRO CN(CCCNC(=O)C12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001095779870 1208512645 /nfs/dbraw/zinc/51/26/45/1208512645.db2.gz QYZQMVLVHXQVDS-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090462551 1212730124 /nfs/dbraw/zinc/73/01/24/1212730124.db2.gz CVMHFHNXRIPONB-RISCZKNCSA-N 1 0 341.433 2.387 20 5 EEBDRO CCN(CCCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095883772 1212941261 /nfs/dbraw/zinc/94/12/61/1212941261.db2.gz ZYRUVIKZTFPJOW-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001020092228 1229480311 /nfs/dbraw/zinc/48/03/11/1229480311.db2.gz WAMWABQWNFTFLU-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO CC1(NC(=O)c2ccon2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045373323 1233701470 /nfs/dbraw/zinc/70/14/70/1233701470.db2.gz ZZPDFFJBKZMLOJ-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000900268544 1234136744 /nfs/dbraw/zinc/13/67/44/1234136744.db2.gz RKYLBWWNPTYVPH-OAHLLOKOSA-N 1 0 348.447 2.188 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525168 1237860280 /nfs/dbraw/zinc/86/02/80/1237860280.db2.gz NXJOHCJZHIEUHO-ZHCJQAHYSA-N 1 0 335.448 2.201 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001097051204 1243628776 /nfs/dbraw/zinc/62/87/76/1243628776.db2.gz SAGVCFGJBYZLIO-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097185471 1243798400 /nfs/dbraw/zinc/79/84/00/1243798400.db2.gz ZAFCBMMKEVASQP-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1cnc(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097205334 1243822199 /nfs/dbraw/zinc/82/21/99/1243822199.db2.gz OQVJIJVULXFAAO-OKILXGFUSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCN(c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC001101381945 1245743531 /nfs/dbraw/zinc/74/35/31/1245743531.db2.gz KXTYLPXMINCXIW-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072391565 1255121797 /nfs/dbraw/zinc/12/17/97/1255121797.db2.gz ONQTZOOMMYFRLW-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO CC1(NC(=O)C[NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110591443 1290227874 /nfs/dbraw/zinc/22/78/74/1290227874.db2.gz HCMXAMZJLVRJRA-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc(Cc2noc(-c3cc4c(s3)CC[NH2+]C4)n2)nc1 ZINC000854142721 1292644339 /nfs/dbraw/zinc/64/43/39/1292644339.db2.gz XLCKVXBDJQGTSQ-UHFFFAOYSA-N 1 0 343.368 2.338 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1F ZINC000856490066 1293546533 /nfs/dbraw/zinc/54/65/33/1293546533.db2.gz VEQJHQGNZJUNRU-JTQLQIEISA-N 1 0 327.331 2.251 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766165 1293911179 /nfs/dbraw/zinc/91/11/79/1293911179.db2.gz NAXPUVPZVXIVLW-UHFFFAOYSA-N 1 0 331.319 2.200 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858537721 1294147681 /nfs/dbraw/zinc/14/76/81/1294147681.db2.gz QVBPMCAQLMHCAH-VMDBXTETSA-N 1 0 344.371 2.458 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000794640023 1296481702 /nfs/dbraw/zinc/48/17/02/1296481702.db2.gz NZSSLIUBSANLPA-ZDUSSCGKSA-N 1 0 347.371 2.351 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1F ZINC001215647851 1296961879 /nfs/dbraw/zinc/96/18/79/1296961879.db2.gz BFXXDMWUPFMYBE-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218039408 1297554328 /nfs/dbraw/zinc/55/43/28/1297554328.db2.gz KPOMENRZEXCXQQ-VXNVDRBHSA-N 1 0 348.140 2.329 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001218857737 1297834185 /nfs/dbraw/zinc/83/41/85/1297834185.db2.gz QIYWGVDHWMLPIC-WLRWDXFRSA-N 1 0 333.395 2.303 20 5 EEBDRO O=C(NCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001222217338 1299422118 /nfs/dbraw/zinc/42/21/18/1299422118.db2.gz RYOCQNKGSDPXHJ-UHFFFAOYSA-N 1 0 333.360 2.250 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(F)(F)c1ccc(F)c(F)c1F ZINC001222982957 1299944331 /nfs/dbraw/zinc/94/43/31/1299944331.db2.gz HPDXJTUNQCHDOW-MRVPVSSYSA-N 1 0 342.284 2.154 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001101890317 1299991728 /nfs/dbraw/zinc/99/17/28/1299991728.db2.gz WGYXFJMMZNSHIZ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1ccc(NCCN(C)C(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001102017415 1300147326 /nfs/dbraw/zinc/14/73/26/1300147326.db2.gz XPRYPYHPCQWFNC-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)N(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001102136963 1300393743 /nfs/dbraw/zinc/39/37/43/1300393743.db2.gz HZIVTOWHBKCGOL-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](COCCC[N+](C)(C)C)O2 ZINC001224618058 1300670928 /nfs/dbraw/zinc/67/09/28/1300670928.db2.gz BVSFRSFYMZCTNX-OAHLLOKOSA-N 1 0 343.488 2.268 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2OCCC[N+](C)(C)C ZINC001224619670 1300671557 /nfs/dbraw/zinc/67/15/57/1300671557.db2.gz PZUCSUKCHLNGPM-YJBOKZPZSA-N 1 0 343.488 2.268 20 5 EEBDRO CC(C)(C)OC(=O)N1CCCO[C@@H](COCCC[N+](C)(C)C)C1 ZINC001224624631 1300673225 /nfs/dbraw/zinc/67/32/25/1300673225.db2.gz YONOQSWYANVARH-OAHLLOKOSA-N 1 0 331.477 2.125 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C)ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225683285 1301122060 /nfs/dbraw/zinc/12/20/60/1301122060.db2.gz QVHZZDGOBARROW-YOKBYHGQSA-N 1 0 334.372 2.449 20 5 EEBDRO CCOC(=O)c1cc(=O)oc2cc(O[C@H](C)C[N+](C)(C)C)ccc21 ZINC001225970476 1301217333 /nfs/dbraw/zinc/21/73/33/1301217333.db2.gz BZMDQGNKHJUCNA-GFCCVEGCSA-N 1 0 334.392 2.443 20 5 EEBDRO O=C(COCC1CC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226237289 1301316577 /nfs/dbraw/zinc/31/65/77/1301316577.db2.gz WWOOZWCOMUZYNQ-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000783559114 1304298822 /nfs/dbraw/zinc/29/88/22/1304298822.db2.gz JITJDWNIYUAYHH-HZPDHXFCSA-N 1 0 339.823 2.279 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc4cccc([N+](=O)[O-])c4n3)[C@H]1CC(=O)C2 ZINC001233835677 1304609502 /nfs/dbraw/zinc/60/95/02/1304609502.db2.gz CAQIRHCWYUCTLO-GLQYFDAESA-N 1 0 327.340 2.326 20 5 EEBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001118261601 1306327395 /nfs/dbraw/zinc/32/73/95/1306327395.db2.gz ZISBBDBYUFVUHF-QGZVFWFLSA-N 1 0 346.431 2.151 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(-c3noc(CN4CC[NH2+]CC4)n3)nc12 ZINC001248216797 1310865766 /nfs/dbraw/zinc/86/57/66/1310865766.db2.gz LHQROWVXYKOIBG-UHFFFAOYSA-N 1 0 346.394 2.238 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc2[nH]ccc21 ZINC001160741440 1320254702 /nfs/dbraw/zinc/25/47/02/1320254702.db2.gz RFRJKTJSTSSXBN-DTWKUNHWSA-N 1 0 329.282 2.423 20 5 EEBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000841855257 1315624752 /nfs/dbraw/zinc/62/47/52/1315624752.db2.gz IZMBATRFIIDGIU-WDEREUQCSA-N 1 0 340.811 2.436 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857865 1315625330 /nfs/dbraw/zinc/62/53/30/1315625330.db2.gz KDMGVCADDVZNAV-ONGXEEELSA-N 1 0 326.784 2.175 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476482 1315712990 /nfs/dbraw/zinc/71/29/90/1315712990.db2.gz PNUNMAPNUWPFJZ-FCHSOHFDSA-N 1 0 340.811 2.163 20 5 EEBDRO [NH3+]C1(c2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)CCCC1 ZINC000842588316 1315727150 /nfs/dbraw/zinc/72/71/50/1315727150.db2.gz PJJUGMRZNGFIME-UHFFFAOYSA-N 1 0 328.332 2.104 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000842737801 1315765147 /nfs/dbraw/zinc/76/51/47/1315765147.db2.gz PPIFTQHJVWRANL-UHFFFAOYSA-N 1 0 341.433 2.102 20 5 EEBDRO C[C@@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]C1 ZINC000843169848 1315857730 /nfs/dbraw/zinc/85/77/30/1315857730.db2.gz UQGUUEFRZINTIS-JQWIXIFHSA-N 1 0 331.376 2.405 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000843222247 1315870349 /nfs/dbraw/zinc/87/03/49/1315870349.db2.gz FMPYANQDJPVKQU-NSHDSACASA-N 1 0 328.332 2.011 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843306544 1315887346 /nfs/dbraw/zinc/88/73/46/1315887346.db2.gz UAQYHKXDQBVBRN-PWSUYJOCSA-N 1 0 336.348 2.153 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)F ZINC000843482739 1315921580 /nfs/dbraw/zinc/92/15/80/1315921580.db2.gz BAALAVQOXWFLPD-SECBINFHSA-N 1 0 339.701 2.029 20 5 EEBDRO O=C(COCc1ccccc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150746867 1316362226 /nfs/dbraw/zinc/36/22/26/1316362226.db2.gz GUDHJMYVAMKIFD-UHFFFAOYSA-N 1 0 349.412 2.079 20 5 EEBDRO COc1ccncc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249279299 1317041421 /nfs/dbraw/zinc/04/14/21/1317041421.db2.gz XOUDPHQYDAZBCV-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC001155596361 1317666910 /nfs/dbraw/zinc/66/69/10/1317666910.db2.gz HZSFQMLNRQRJCJ-MEDUHNTESA-N 1 0 331.376 2.042 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155616460 1317675720 /nfs/dbraw/zinc/67/57/20/1317675720.db2.gz DMCMVHIOLJZYHU-IINYFYTJSA-N 1 0 326.784 2.275 20 5 EEBDRO CCOC(=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466847 1318081399 /nfs/dbraw/zinc/08/13/99/1318081399.db2.gz PTLBXCKXOCKQGI-UHFFFAOYSA-N 1 0 335.404 2.497 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCc4ncncc4C3)CC2)cc1 ZINC001254478438 1318083585 /nfs/dbraw/zinc/08/35/85/1318083585.db2.gz CMBTWAYIJGDZQL-UHFFFAOYSA-N 1 0 339.399 2.412 20 5 EEBDRO CCNC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254534851 1318113653 /nfs/dbraw/zinc/11/36/53/1318113653.db2.gz CMXHAHIQCQNWAH-CYBMUJFWSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001254545767 1318116576 /nfs/dbraw/zinc/11/65/76/1318116576.db2.gz PFVVPHVUFKKDNA-DZGCQCFKSA-N 1 0 327.388 2.184 20 5 EEBDRO CCOC(=O)c1ccnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585392 1318132079 /nfs/dbraw/zinc/13/20/79/1318132079.db2.gz WLMVCYLTXURWKH-HNNXBMFYSA-N 1 0 341.367 2.424 20 5 EEBDRO O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599930 1318140357 /nfs/dbraw/zinc/14/03/57/1318140357.db2.gz MYVZXIHHUFECHZ-GOSISDBHSA-N 1 0 343.427 2.396 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001157020525 1318350220 /nfs/dbraw/zinc/35/02/20/1318350220.db2.gz JEJREJRBIWKSPN-GFCCVEGCSA-N 1 0 336.392 2.085 20 5 EEBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ncc(F)cc1[N+](=O)[O-] ZINC001157166460 1318453831 /nfs/dbraw/zinc/45/38/31/1318453831.db2.gz JBTWWZRQECGRRA-NSHDSACASA-N 1 0 342.371 2.380 20 5 EEBDRO COc1cc(N2CCC([NH2+]CC3(O)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256082205 1318641720 /nfs/dbraw/zinc/64/17/20/1318641720.db2.gz BBRUFEPXHYVRCE-UHFFFAOYSA-N 1 0 349.431 2.467 20 5 EEBDRO COC[C@H]1CC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256103243 1318649121 /nfs/dbraw/zinc/64/91/21/1318649121.db2.gz KAJKXTUEIUQLEZ-OAHLLOKOSA-N 1 0 335.404 2.293 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc(Cl)c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767660 1318847999 /nfs/dbraw/zinc/84/79/99/1318847999.db2.gz RFLQRXJMONRMAH-ZYHUDNBSSA-N 1 0 346.214 2.255 20 5 EEBDRO Cc1cnc(C[NH3+])n1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001158166852 1319054685 /nfs/dbraw/zinc/05/46/85/1319054685.db2.gz PCTFVDLKFFUMDC-UHFFFAOYSA-N 1 0 336.661 2.010 20 5 EEBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])s3)o2)C[C@H](C)O1 ZINC001258013488 1319128708 /nfs/dbraw/zinc/12/87/08/1319128708.db2.gz WKFOADDKWPRUBS-UWVGGRQHSA-N 1 0 338.389 2.358 20 5 EEBDRO CCOCC(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159144120 1319638456 /nfs/dbraw/zinc/63/84/56/1319638456.db2.gz VPDQOLCGWYOAFZ-UHFFFAOYSA-N 1 0 347.415 2.270 20 5 EEBDRO O=[N+]([O-])c1cc(O)cc(Nc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001159631266 1319926202 /nfs/dbraw/zinc/92/62/02/1319926202.db2.gz LVNZEEPESCXPFN-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO Cc1noc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001160633239 1320217685 /nfs/dbraw/zinc/21/76/85/1320217685.db2.gz JJGPRNRDEVPZAP-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO O=C(Cc1ccccc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001161123810 1320394321 /nfs/dbraw/zinc/39/43/21/1320394321.db2.gz CJQCHVOMQMEUQC-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO COCCC1(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC[NH2+]CC1 ZINC001161502484 1320520014 /nfs/dbraw/zinc/52/00/14/1320520014.db2.gz AMXVCJBGUOXZBF-UHFFFAOYSA-N 1 0 333.392 2.289 20 5 EEBDRO Cc1cc(C)n(CCNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n1 ZINC001162153092 1320766107 /nfs/dbraw/zinc/76/61/07/1320766107.db2.gz PKYYSZIZJCHGDE-UHFFFAOYSA-N 1 0 347.419 2.461 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)nn2)ccc1F ZINC001162803064 1320962453 /nfs/dbraw/zinc/96/24/53/1320962453.db2.gz PSFWHVZOALBAGJ-YWPYICTPSA-N 1 0 341.346 2.377 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)n1 ZINC001163049987 1321023501 /nfs/dbraw/zinc/02/35/01/1321023501.db2.gz NQVUUUUYGDREMG-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO C[NH+](C)CC1CCC(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001163298754 1321090836 /nfs/dbraw/zinc/09/08/36/1321090836.db2.gz GRFJAQMCLAJLLB-UHFFFAOYSA-N 1 0 328.800 2.414 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)n1 ZINC001163371147 1321107925 /nfs/dbraw/zinc/10/79/25/1321107925.db2.gz NNFXZJQFXGLDAC-VXGBXAGGSA-N 1 0 336.392 2.307 20 5 EEBDRO Cc1nc(N2CCC(COCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001163883044 1321239035 /nfs/dbraw/zinc/23/90/35/1321239035.db2.gz MFQLPURWAIIFBX-UHFFFAOYSA-N 1 0 349.435 2.022 20 5 EEBDRO Nc1ccnc(NCc2cccnc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163910437 1321246226 /nfs/dbraw/zinc/24/62/26/1321246226.db2.gz ZDZPCQHKBUZDQJ-UHFFFAOYSA-N 1 0 328.376 2.046 20 5 EEBDRO C[NH+](C)Cc1cccc(CNc2ncnc3[nH]cc([N+](=O)[O-])c32)c1 ZINC001163992699 1321265354 /nfs/dbraw/zinc/26/53/54/1321265354.db2.gz JBIANTVOIFIMLN-UHFFFAOYSA-N 1 0 326.360 2.491 20 5 EEBDRO COC(=O)c1cnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001165319354 1321500237 /nfs/dbraw/zinc/50/02/37/1321500237.db2.gz IOXAAJAXFWPVND-AWEZNQCLSA-N 1 0 348.403 2.135 20 5 EEBDRO Cc1ccnc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)c1[N+](=O)[O-] ZINC001166991097 1321833365 /nfs/dbraw/zinc/83/33/65/1321833365.db2.gz GNWXVGPDCVQAKR-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001262706233 1322354596 /nfs/dbraw/zinc/35/45/96/1322354596.db2.gz HKCRBSWPAHCZJB-CYBMUJFWSA-N 1 0 346.431 2.408 20 5 EEBDRO CN(C)c1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001308346939 1331584611 /nfs/dbraw/zinc/58/46/11/1331584611.db2.gz APCCVASSGWMYEP-UHFFFAOYSA-N 1 0 335.795 2.437 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309258393 1331624519 /nfs/dbraw/zinc/62/45/19/1331624519.db2.gz RHFKGCTURASHHH-UHFFFAOYSA-N 1 0 347.412 2.053 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001319072129 1332645455 /nfs/dbraw/zinc/64/54/55/1332645455.db2.gz QDIPDPJKPAXHEO-ZDUSSCGKSA-N 1 0 334.420 2.344 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001609075923 1351832117 /nfs/dbraw/zinc/83/21/17/1351832117.db2.gz QQXFHRXIUJOUOW-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO CC(C)C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609093200 1351840188 /nfs/dbraw/zinc/84/01/88/1351840188.db2.gz SXWKTPDRYWTXBS-NSHDSACASA-N 1 0 333.396 2.163 20 5 EEBDRO CC1(C)CCC[N@H+](CCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001609145119 1351861112 /nfs/dbraw/zinc/86/11/12/1351861112.db2.gz AZBOUJAOEDVTEX-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001327487254 1334300641 /nfs/dbraw/zinc/30/06/41/1334300641.db2.gz RZUWBZYKQUHIRV-CYBMUJFWSA-N 1 0 337.424 2.002 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001327692263 1334335627 /nfs/dbraw/zinc/33/56/27/1334335627.db2.gz NOYDSVHIQOCYQS-UHFFFAOYSA-N 1 0 341.415 2.439 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329989683 1334755641 /nfs/dbraw/zinc/75/56/41/1334755641.db2.gz HXNJGPKIZUAUHM-JKSUJKDBSA-N 1 0 332.404 2.493 20 5 EEBDRO CCOc1cccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001336704485 1336583154 /nfs/dbraw/zinc/58/31/54/1336583154.db2.gz SAGDTWLIXGVSSX-INIZCTEOSA-N 1 0 331.372 2.254 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@H]3C1)OCCO2 ZINC001337033246 1336634263 /nfs/dbraw/zinc/63/42/63/1336634263.db2.gz SBUGOVHYAGCTGI-SWLSCSKDSA-N 1 0 334.372 2.367 20 5 EEBDRO C/C=C/C=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334002 1336842545 /nfs/dbraw/zinc/84/25/45/1336842545.db2.gz BJZIZIXXKAVMHH-VNKDHWASSA-N 1 0 330.388 2.417 20 5 EEBDRO CS[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066413 1336952877 /nfs/dbraw/zinc/95/28/77/1336952877.db2.gz UJYOFMRMVWMBAL-LLVKDONJSA-N 1 0 338.433 2.037 20 5 EEBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1cc(C)ccc1[N+](=O)[O-] ZINC001100606977 1338541752 /nfs/dbraw/zinc/54/17/52/1338541752.db2.gz FQUYYWGXMVTJQL-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H]1C[NH3+] ZINC001576700344 1344049010 /nfs/dbraw/zinc/04/90/10/1344049010.db2.gz QUWZCVDPDIIFPT-QPUJVOFHSA-N 1 0 341.799 2.422 20 5 EEBDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001577172135 1344098900 /nfs/dbraw/zinc/09/89/00/1344098900.db2.gz LUHFFOZOINBBEN-KWQFWETISA-N 1 0 337.273 2.452 20 5 EEBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001579447797 1344382986 /nfs/dbraw/zinc/38/29/86/1344382986.db2.gz SWHMMHBZSHOUHI-ZCFIWIBFSA-N 1 0 336.150 2.475 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001579733939 1344410860 /nfs/dbraw/zinc/41/08/60/1344410860.db2.gz FZTHBUVHTJHZJY-SUMWQHHRSA-N 1 0 332.404 2.045 20 5 EEBDRO Cn1c2ccccc2c(NC[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1=O ZINC001579947538 1344437802 /nfs/dbraw/zinc/43/78/02/1344437802.db2.gz JKTZHIHYLXJDPK-GFCCVEGCSA-N 1 0 330.388 2.248 20 5 EEBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001580815535 1344562927 /nfs/dbraw/zinc/56/29/27/1344562927.db2.gz KABMXPXDSWJUGN-WDEREUQCSA-N 1 0 341.314 2.163 20 5 EEBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCCC1CC[NH2+]CC1 ZINC001580876395 1344567668 /nfs/dbraw/zinc/56/76/68/1344567668.db2.gz LUGIXQIQURFRFO-UHFFFAOYSA-N 1 0 332.360 2.191 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603077858 1350634436 /nfs/dbraw/zinc/63/44/36/1350634436.db2.gz LDDYSWOWTDEPSZ-LLVKDONJSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603895464 1350797074 /nfs/dbraw/zinc/79/70/74/1350797074.db2.gz LJGLFLDLPRASQV-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001604220545 1350896318 /nfs/dbraw/zinc/89/63/18/1350896318.db2.gz NIBPLBRWHJKFDE-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604679877 1350983486 /nfs/dbraw/zinc/98/34/86/1350983486.db2.gz OGOGRTPLJDVPFJ-ZIAGYGMSSA-N 1 0 331.380 2.060 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@H+](C[C@H]2CCOC2)C2CC2)nc1-c1ccccn1 ZINC000853489082 1369339168 /nfs/dbraw/zinc/33/91/68/1369339168.db2.gz FDRZFPVTLATOOY-CYBMUJFWSA-N 1 0 343.387 2.312 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000842293085 1369914658 /nfs/dbraw/zinc/91/46/58/1369914658.db2.gz CNEYEKNWRDQAMZ-PSASIEDQSA-N 1 0 349.359 2.144 20 5 EEBDRO COC(=O)Cc1ccc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000828077983 1372235786 /nfs/dbraw/zinc/23/57/86/1372235786.db2.gz YFGJCMOKPKHNLM-UHFFFAOYSA-N 1 0 335.404 2.232 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000831726674 1372392830 /nfs/dbraw/zinc/39/28/30/1372392830.db2.gz FLAIKTCNSWZHCT-KGLIPLIRSA-N 1 0 346.431 2.337 20 5 EEBDRO CC[N@H+](CCNC(=O)c1oc(C)nc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753080536 1406670879 /nfs/dbraw/zinc/67/08/79/1406670879.db2.gz ZGPOUORVPHFZJT-UHFFFAOYSA-N 1 0 346.387 2.452 20 5 EEBDRO CN(CC(C)(C)C[NH2+]C/C(Cl)=C/Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755280275 1407290123 /nfs/dbraw/zinc/29/01/23/1407290123.db2.gz DUKGAVLJGLCCIN-XFDQCWFDSA-N 1 0 338.235 2.045 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001576468664 1403576057 /nfs/dbraw/zinc/57/60/57/1403576057.db2.gz BHCHKNORMAJKQI-OAHLLOKOSA-N 1 0 347.419 2.419 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001576800763 1403606705 /nfs/dbraw/zinc/60/67/05/1403606705.db2.gz LJMXWEGHESNKEN-WDEREUQCSA-N 1 0 340.811 2.103 20 5 EEBDRO [NH3+]CC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(F)F ZINC001580284668 1403856968 /nfs/dbraw/zinc/85/69/68/1403856968.db2.gz NQKKVJAMAASKGJ-ZETCQYMHSA-N 1 0 344.181 2.491 20 5 EEBDRO O=C(NC[C@H]1CC[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001580660789 1403864924 /nfs/dbraw/zinc/86/49/24/1403864924.db2.gz GPCVHQYQESUJCJ-CQSZACIVSA-N 1 0 326.356 2.430 20 5 EEBDRO COCC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591424401 1403910668 /nfs/dbraw/zinc/91/06/68/1403910668.db2.gz BFQUQZXLEGUCOI-UHFFFAOYSA-N 1 0 346.391 2.166 20 5 EEBDRO CCn1ccnc1C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001751988996 1406167851 /nfs/dbraw/zinc/16/78/51/1406167851.db2.gz VLWALYJKEPFQDS-UHFFFAOYSA-N 1 0 345.403 2.063 20 5 EEBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001167673523 761080663 /nfs/dbraw/zinc/08/06/63/761080663.db2.gz ANYBYVHAQVGQSX-UHFFFAOYSA-N 1 0 327.266 2.046 20 5 EEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nccc1[N+](=O)[O-] ZINC000179915196 774356522 /nfs/dbraw/zinc/35/65/22/774356522.db2.gz JYXIOHAIOXFSLP-UHFFFAOYSA-N 1 0 344.419 2.382 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001091393284 790588056 /nfs/dbraw/zinc/58/80/56/790588056.db2.gz IKWRDGKUODTDCX-OTVXOJSOSA-N 1 0 346.431 2.243 20 5 EEBDRO C[N@H+](CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001091411287 790633035 /nfs/dbraw/zinc/63/30/35/790633035.db2.gz ZRLWFZXNFAMPHR-OTVXOJSOSA-N 1 0 346.431 2.386 20 5 EEBDRO Cn1c2ccc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000816547311 784110282 /nfs/dbraw/zinc/11/02/82/784110282.db2.gz RZHSTPCSCKBZPQ-UHFFFAOYSA-N 1 0 343.339 2.208 20 5 EEBDRO COc1nc(C)cc(C)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819011296 785362720 /nfs/dbraw/zinc/36/27/20/785362720.db2.gz OLXAILOXCUYNON-MRXNPFEDSA-N 1 0 331.372 2.438 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)c1 ZINC000819268832 785501212 /nfs/dbraw/zinc/50/12/12/785501212.db2.gz WPZVXMICVRDQRA-CQSZACIVSA-N 1 0 339.298 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001107239851 786593184 /nfs/dbraw/zinc/59/31/84/786593184.db2.gz ZSXUMVCUSMWWTA-ARJAWSKDSA-N 1 0 346.431 2.329 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000910291111 786651260 /nfs/dbraw/zinc/65/12/60/786651260.db2.gz DEATXMPTICTHLH-NSHDSACASA-N 1 0 331.376 2.027 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ncc(C)cc1[N+](=O)[O-] ZINC001107275416 786686638 /nfs/dbraw/zinc/68/66/38/786686638.db2.gz UQAVCFFLQDGWBE-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC001107276505 786689681 /nfs/dbraw/zinc/68/96/81/786689681.db2.gz KGPGNCULMUASKT-IHWYPQMZSA-N 1 0 344.415 2.083 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC001107276506 786689987 /nfs/dbraw/zinc/68/99/87/786689987.db2.gz KGPGNCULMUASKT-NSCUHMNNSA-N 1 0 344.415 2.083 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001107379653 787069362 /nfs/dbraw/zinc/06/93/62/787069362.db2.gz MTAYXBMSGGEUTI-PLNGDYQASA-N 1 0 346.431 2.472 20 5 EEBDRO C[NH+](C)CCCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107475204 787349867 /nfs/dbraw/zinc/34/98/67/787349867.db2.gz GZKIOSMBDDQHBE-ARJAWSKDSA-N 1 0 338.383 2.160 20 5 EEBDRO C[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000823594061 787822406 /nfs/dbraw/zinc/82/24/06/787822406.db2.gz OMBRMWCZAMKTMU-RDDDGLTNSA-N 1 0 337.273 2.404 20 5 EEBDRO CC(C)c1nocc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129279886 788933209 /nfs/dbraw/zinc/93/32/09/788933209.db2.gz YREUVWHOKFOEBA-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO O=C(CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000844457543 789114520 /nfs/dbraw/zinc/11/45/20/789114520.db2.gz LESZMCUXIXTIID-AOOOYVTPSA-N 1 0 329.278 2.259 20 5 EEBDRO [NH3+]CC[C@H]1CN(c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccccc21 ZINC001168555911 789956433 /nfs/dbraw/zinc/95/64/33/789956433.db2.gz SNOBUUFEFJOAIE-NSHDSACASA-N 1 0 338.367 2.422 20 5 EEBDRO CC(C)c1ocnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146865147 791533023 /nfs/dbraw/zinc/53/30/23/791533023.db2.gz ZZMCGZDHTYPMFE-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO CC(C)(C)c1ocnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147142866 791729717 /nfs/dbraw/zinc/72/97/17/791729717.db2.gz LFEVJZAAOLQRLL-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1Cl ZINC001148497575 792490476 /nfs/dbraw/zinc/49/04/76/792490476.db2.gz NZPLTAWBIRUORK-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO CC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC001168458218 795135052 /nfs/dbraw/zinc/13/50/52/795135052.db2.gz OHCZLRKNAXBALV-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094467490 796239221 /nfs/dbraw/zinc/23/92/21/796239221.db2.gz AQVGSGRLXHJUSG-UHFFFAOYSA-N 1 0 349.435 2.174 20 5 EEBDRO Cc1ccnc(NCCCNC(=O)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001094454914 796264004 /nfs/dbraw/zinc/26/40/04/796264004.db2.gz DTTXWZHLSQYVBX-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO CCc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001171549183 796636817 /nfs/dbraw/zinc/63/68/17/796636817.db2.gz UXJPIHPAYYDZKL-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO C[C@@]1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS(=O)(=O)C1 ZINC001172911247 797169738 /nfs/dbraw/zinc/16/97/38/797169738.db2.gz HWOADRSSSNEJAL-GOEBONIOSA-N 1 0 338.429 2.009 20 5 EEBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911843 797170780 /nfs/dbraw/zinc/17/07/80/797170780.db2.gz GISQVWLDORKEDO-JKSUJKDBSA-N 1 0 346.431 2.236 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccc(C(N)=O)cc1 ZINC001173218792 797299126 /nfs/dbraw/zinc/29/91/26/797299126.db2.gz MDILNHQVHLTVQM-ZDUSSCGKSA-N 1 0 343.383 2.293 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001095233705 797566288 /nfs/dbraw/zinc/56/62/88/797566288.db2.gz MHSZFLNPGPQHJO-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110193557 798368411 /nfs/dbraw/zinc/36/84/11/798368411.db2.gz LXZFQXPAULNVHW-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001178418665 799470239 /nfs/dbraw/zinc/47/02/39/799470239.db2.gz FHWIWIBQSCXKBQ-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO COCCC1(NC(C)=O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001150855086 799818877 /nfs/dbraw/zinc/81/88/77/799818877.db2.gz OUYPSXNVKWUUIX-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2occc2[nH]1 ZINC001128491063 800757733 /nfs/dbraw/zinc/75/77/33/800757733.db2.gz LYUDOFCAYZLJMH-UHFFFAOYSA-N 1 0 334.357 2.250 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C3([NH+](C)C)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001110253108 801053254 /nfs/dbraw/zinc/05/32/54/801053254.db2.gz KHJSCPLYUSQBOR-UHFFFAOYSA-N 1 0 346.431 2.448 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001168737315 802301238 /nfs/dbraw/zinc/30/12/38/802301238.db2.gz RSWDHTKCZSLNTR-UHFFFAOYSA-N 1 0 331.298 2.208 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001110356881 802342407 /nfs/dbraw/zinc/34/24/07/802342407.db2.gz USOISLRKODHJFD-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086311096 802714432 /nfs/dbraw/zinc/71/44/32/802714432.db2.gz SDLDVYPVPASCBA-SHTZXODSSA-N 1 0 342.399 2.232 20 5 EEBDRO Cc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086334253 802770655 /nfs/dbraw/zinc/77/06/55/802770655.db2.gz MFMLVPMDXXBANS-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO Cc1nc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001086348719 802798128 /nfs/dbraw/zinc/79/81/28/802798128.db2.gz UAVSWKTXROOUCJ-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962996 803551642 /nfs/dbraw/zinc/55/16/42/803551642.db2.gz NMRLHFCRWBCGLX-XUXIUFHCSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964744 803552310 /nfs/dbraw/zinc/55/23/10/803552310.db2.gz VMXSNNWKDUDMRC-VQJWOFKYSA-N 1 0 339.436 2.277 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007978 803568912 /nfs/dbraw/zinc/56/89/12/803568912.db2.gz QDLWAKOPDMDYJL-YYFQZIEXSA-N 1 0 339.436 2.277 20 5 EEBDRO Cc1cnc(C[NH3+])n1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001169028542 803575566 /nfs/dbraw/zinc/57/55/66/803575566.db2.gz KQVUPFSSVAJZPY-UHFFFAOYSA-N 1 0 326.316 2.130 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169037535 803581551 /nfs/dbraw/zinc/58/15/51/803581551.db2.gz SBUBPQQEXPUUDO-IGQOVBAYSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038440 803581960 /nfs/dbraw/zinc/58/19/60/803581960.db2.gz YWEPFXYCXPBGKH-MJBXVCDLSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038438 803582036 /nfs/dbraw/zinc/58/20/36/803582036.db2.gz YWEPFXYCXPBGKH-IHRRRGAJSA-N 1 0 327.425 2.421 20 5 EEBDRO Cc1ccccc1C(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169044681 803585369 /nfs/dbraw/zinc/58/53/69/803585369.db2.gz ISPJUYSTHJPHQC-CVEARBPZSA-N 1 0 331.416 2.198 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001169047043 803592989 /nfs/dbraw/zinc/59/29/89/803592989.db2.gz QJSBBHWQYAQCST-GUYCJALGSA-N 1 0 349.406 2.465 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)c1ccc(F)cc1 ZINC001169055861 803597222 /nfs/dbraw/zinc/59/72/22/803597222.db2.gz QVUXRPKLJVKOJG-KBRIMQKVSA-N 1 0 349.406 2.465 20 5 EEBDRO CN1CCc2c(-n3ncc4c3cccc4C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001169193638 803645696 /nfs/dbraw/zinc/64/56/96/803645696.db2.gz ZTNAKUFBIDVKPO-UHFFFAOYSA-N 1 0 337.383 2.380 20 5 EEBDRO CCOC(=O)c1cnc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001169793701 804075778 /nfs/dbraw/zinc/07/57/78/804075778.db2.gz XXFWEFBAUVEYIO-UHFFFAOYSA-N 1 0 334.376 2.064 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000787588482 807148994 /nfs/dbraw/zinc/14/89/94/807148994.db2.gz ADGGRYRMMOPNKX-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO COC(=O)c1cc(C(=O)OCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000787980141 807334510 /nfs/dbraw/zinc/33/45/10/807334510.db2.gz WVLHRPBPQZIKNW-UHFFFAOYSA-N 1 0 336.344 2.024 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788914651 807757574 /nfs/dbraw/zinc/75/75/74/807757574.db2.gz ZRDAFQLRZXFNDG-GHMZBOCLSA-N 1 0 347.462 2.055 20 5 EEBDRO C[N@H+](CCCCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000789339787 807955758 /nfs/dbraw/zinc/95/57/58/807955758.db2.gz GJCSTTRHLGKVTG-UHFFFAOYSA-N 1 0 329.784 2.281 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000790558050 808796033 /nfs/dbraw/zinc/79/60/33/808796033.db2.gz FBKCNBQWPRORAO-AWEZNQCLSA-N 1 0 343.786 2.386 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncoc1C1CC1 ZINC001170171896 809808439 /nfs/dbraw/zinc/80/84/39/809808439.db2.gz NVHIIFHTXVFQBC-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO O=C(CCc1ccsc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129468052 810857909 /nfs/dbraw/zinc/85/79/09/810857909.db2.gz DMKRANDMUZPWBA-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001130138160 811211936 /nfs/dbraw/zinc/21/19/36/811211936.db2.gz YUZPLSVJOCYPPN-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO CC(C)(C)n1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001130697372 811951078 /nfs/dbraw/zinc/95/10/78/811951078.db2.gz PCEYJDKUZWDFRY-UHFFFAOYSA-N 1 0 345.403 2.066 20 5 EEBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808216579 812522198 /nfs/dbraw/zinc/52/21/98/812522198.db2.gz BOSWEUXDWHPRMN-AWEZNQCLSA-N 1 0 345.403 2.140 20 5 EEBDRO C[NH2+]CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237115622 290669604 /nfs/dbraw/zinc/66/96/04/290669604.db2.gz GHZIPLWPOCLVTI-STQMWFEESA-N 1 0 334.420 2.026 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000267245199 282258829 /nfs/dbraw/zinc/25/88/29/282258829.db2.gz CHADJHZCUSJUDT-RYUDHWBXSA-N 1 0 339.367 2.102 20 5 EEBDRO COc1cccc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000194868958 237467574 /nfs/dbraw/zinc/46/75/74/237467574.db2.gz UCIXZDIETKQSRP-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160289983 283509956 /nfs/dbraw/zinc/50/99/56/283509956.db2.gz LFBLEZQMCKLMOG-GFCCVEGCSA-N 1 0 332.385 2.282 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000057166486 201138528 /nfs/dbraw/zinc/13/85/28/201138528.db2.gz RPRDVNRLXCVCNR-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193234742 240070339 /nfs/dbraw/zinc/07/03/39/240070339.db2.gz VTHIEHHYLJWATF-GFCCVEGCSA-N 1 0 341.433 2.060 20 5 EEBDRO Cc1c(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cccc1[N+](=O)[O-] ZINC000422912536 240290746 /nfs/dbraw/zinc/29/07/46/240290746.db2.gz NEFNOKASHIEHBJ-ZDUSSCGKSA-N 1 0 329.360 2.277 20 5 EEBDRO C[C@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000422996601 240324317 /nfs/dbraw/zinc/32/43/17/240324317.db2.gz TXSQBDBUUZJPHV-LRDDRELGSA-N 1 0 343.387 2.207 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423256355 240419985 /nfs/dbraw/zinc/41/99/85/240419985.db2.gz BPXIPQAHZNYPBV-RHSMWYFYSA-N 1 0 343.431 2.397 20 5 EEBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000428870161 241666156 /nfs/dbraw/zinc/66/61/56/241666156.db2.gz DQPXZWGPJOYIMO-NSHDSACASA-N 1 0 347.462 2.070 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000237929209 242857522 /nfs/dbraw/zinc/85/75/22/242857522.db2.gz AEXJYLWGYTUSID-LBPRGKRZSA-N 1 0 332.385 2.185 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451479574 243128585 /nfs/dbraw/zinc/12/85/85/243128585.db2.gz NMTIGFZAQSWSOW-USXIJHARSA-N 1 0 347.415 2.351 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451891974 243295848 /nfs/dbraw/zinc/29/58/48/243295848.db2.gz OYPXIJWDYJQPKJ-UHFFFAOYSA-N 1 0 343.449 2.135 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456302634 244211454 /nfs/dbraw/zinc/21/14/54/244211454.db2.gz GSBGJHHNSQBFMC-CYBMUJFWSA-N 1 0 329.360 2.130 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000073996655 203278548 /nfs/dbraw/zinc/27/85/48/203278548.db2.gz UJQGMFSJCVSWTK-UONOGXRCSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380958 204395582 /nfs/dbraw/zinc/39/55/82/204395582.db2.gz RMPFMWVJEAZMEB-MLGOLLRUSA-N 1 0 332.404 2.492 20 5 EEBDRO Cc1nccn1CCCN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126339496 205051450 /nfs/dbraw/zinc/05/14/50/205051450.db2.gz KRAKFXXVJVXYSB-UHFFFAOYSA-N 1 0 345.403 2.374 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139489862 205550009 /nfs/dbraw/zinc/55/00/09/205550009.db2.gz NJTNJFXGMCNQAU-GFCCVEGCSA-N 1 0 343.811 2.335 20 5 EEBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000155810697 206036267 /nfs/dbraw/zinc/03/62/67/206036267.db2.gz BDYOQHHFSDJAEP-ZDUSSCGKSA-N 1 0 344.415 2.467 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000156125418 206056275 /nfs/dbraw/zinc/05/62/75/206056275.db2.gz VPTSNRJCLHFHHR-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000156144392 206058421 /nfs/dbraw/zinc/05/84/21/206058421.db2.gz IFWKEULMKGHPKM-CYBMUJFWSA-N 1 0 332.360 2.081 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)cc1SC ZINC000264200813 246175663 /nfs/dbraw/zinc/17/56/63/246175663.db2.gz RWLQKZWKQRNDQT-SECBINFHSA-N 1 0 327.406 2.005 20 5 EEBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264314738 246338849 /nfs/dbraw/zinc/33/88/49/246338849.db2.gz OOLGAQPRHJMXEN-OAHLLOKOSA-N 1 0 342.399 2.217 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000266329998 248250513 /nfs/dbraw/zinc/25/05/13/248250513.db2.gz GVQMUYMCCMSQAE-UHFFFAOYSA-N 1 0 344.371 2.334 20 5 EEBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174881691 207067945 /nfs/dbraw/zinc/06/79/45/207067945.db2.gz RTHLZPDLZRGPOK-QGZVFWFLSA-N 1 0 343.431 2.245 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000175079753 207091222 /nfs/dbraw/zinc/09/12/22/207091222.db2.gz STDSNBXHWHVBOG-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000175353458 207118907 /nfs/dbraw/zinc/11/89/07/207118907.db2.gz UPROYEFHEFKADE-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176686139 207250597 /nfs/dbraw/zinc/25/05/97/207250597.db2.gz WVJYOPXJXFJPAV-UHFFFAOYSA-N 1 0 335.404 2.214 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177042802 207288346 /nfs/dbraw/zinc/28/83/46/207288346.db2.gz INTQHNFRXAIWOM-CHWSQXEVSA-N 1 0 332.404 2.138 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141086 256118006 /nfs/dbraw/zinc/11/80/06/256118006.db2.gz DFDBIZPQNBUVSO-SUMWQHHRSA-N 1 0 346.431 2.386 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272825958 256242232 /nfs/dbraw/zinc/24/22/32/256242232.db2.gz MAZWBOGXTPUJHQ-BXUZGUMPSA-N 1 0 334.376 2.161 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000273168387 256272525 /nfs/dbraw/zinc/27/25/25/256272525.db2.gz OONMAXPYXCCQRA-JKSUJKDBSA-N 1 0 346.383 2.048 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276044757 256398426 /nfs/dbraw/zinc/39/84/26/256398426.db2.gz HERMRKKOEVQFNN-OCCSQVGLSA-N 1 0 339.417 2.037 20 5 EEBDRO CC(=O)c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000408523756 257978437 /nfs/dbraw/zinc/97/84/37/257978437.db2.gz MZFVSHULOBBHGS-UHFFFAOYSA-N 1 0 347.415 2.128 20 5 EEBDRO C[C@@H](CCNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182248363 533593266 /nfs/dbraw/zinc/59/32/66/533593266.db2.gz XCKNJTCSBZRRSR-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO [NH3+]CCN(Cc1cnn(CC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000348924132 144803535 /nfs/dbraw/zinc/80/35/35/144803535.db2.gz VDDKDULCDHIRCZ-UHFFFAOYSA-N 1 0 343.309 2.319 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116231498 152043745 /nfs/dbraw/zinc/04/37/45/152043745.db2.gz PNXHIUFGFSHQOS-HNNXBMFYSA-N 1 0 336.436 2.489 20 5 EEBDRO COc1ccc(C[NH2+]CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072712980 159043758 /nfs/dbraw/zinc/04/37/58/159043758.db2.gz WANCNZSXYCXRIU-UHFFFAOYSA-N 1 0 332.356 2.264 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083026347 159160350 /nfs/dbraw/zinc/16/03/50/159160350.db2.gz JRFUUCLSNMVAKD-GASCZTMLSA-N 1 0 349.431 2.143 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000096979970 159245042 /nfs/dbraw/zinc/24/50/42/159245042.db2.gz SZAVIGQICJLCCH-UHFFFAOYSA-N 1 0 335.404 2.469 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245463246 160237502 /nfs/dbraw/zinc/23/75/02/160237502.db2.gz XHFAFVAEPSAVSI-CJNGLKHVSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000247448068 160325104 /nfs/dbraw/zinc/32/51/04/160325104.db2.gz YQSUSAQGHMBYIF-XHDPSFHLSA-N 1 0 343.387 2.027 20 5 EEBDRO Cc1nccn1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342858579 161095921 /nfs/dbraw/zinc/09/59/21/161095921.db2.gz AZNBYGVJUGNKOI-CQSZACIVSA-N 1 0 330.392 2.071 20 5 EEBDRO CCn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343390201 161131459 /nfs/dbraw/zinc/13/14/59/161131459.db2.gz MAOVGGTVIWHZCC-CJNGLKHVSA-N 1 0 346.387 2.440 20 5 EEBDRO Cc1cc(NC[C@@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000343592162 161149856 /nfs/dbraw/zinc/14/98/56/161149856.db2.gz CHHSKPMFSSUWTE-ZDUSSCGKSA-N 1 0 349.412 2.253 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344070022 161195689 /nfs/dbraw/zinc/19/56/89/161195689.db2.gz MDKYNGGHGVNLDE-XHSDSOJGSA-N 1 0 347.415 2.210 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344441522 161227875 /nfs/dbraw/zinc/22/78/75/161227875.db2.gz PJOLEOKXADRUBN-QLFBSQMISA-N 1 0 348.447 2.489 20 5 EEBDRO Cn1c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000345058382 161268025 /nfs/dbraw/zinc/26/80/25/161268025.db2.gz USMHTAUOKKAZDQ-UHFFFAOYSA-N 1 0 346.387 2.263 20 5 EEBDRO C[NH+](C)Cc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345907749 161341223 /nfs/dbraw/zinc/34/12/23/161341223.db2.gz AKNQYJWXLVUMSI-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000345980420 161347455 /nfs/dbraw/zinc/34/74/55/161347455.db2.gz KSCFRBQJQRAPMK-KGLIPLIRSA-N 1 0 344.415 2.491 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](F)C[C@H]3CO)o2)c1 ZINC000346394841 161368933 /nfs/dbraw/zinc/36/89/33/161368933.db2.gz HWZFBZJWXPNUOD-OCCSQVGLSA-N 1 0 335.335 2.197 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000349214701 161533329 /nfs/dbraw/zinc/53/33/29/161533329.db2.gz FZPIQAOVKXVBHP-CQSZACIVSA-N 1 0 335.404 2.168 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000351518900 161812774 /nfs/dbraw/zinc/81/27/74/161812774.db2.gz AMZGXDJEWKMBGH-DOTOQJQBSA-N 1 0 335.404 2.373 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2ccccc2n1 ZINC000352551202 162183192 /nfs/dbraw/zinc/18/31/92/162183192.db2.gz WKSPOWVHVCDMAR-UHFFFAOYSA-N 1 0 338.367 2.277 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000352802995 162292702 /nfs/dbraw/zinc/29/27/02/162292702.db2.gz NHWBBGHMCXSOGM-GDBMZVCRSA-N 1 0 346.431 2.400 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356145863 163349198 /nfs/dbraw/zinc/34/91/98/163349198.db2.gz OTVQEOCMBXAOOR-OAHLLOKOSA-N 1 0 345.403 2.141 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000357355371 163686509 /nfs/dbraw/zinc/68/65/09/163686509.db2.gz OZXKWMJJUILGQH-UHFFFAOYSA-N 1 0 334.420 2.374 20 5 EEBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000358671811 163956467 /nfs/dbraw/zinc/95/64/67/163956467.db2.gz DLSSFGNFTSCOOS-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1ccnc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000364945286 165328557 /nfs/dbraw/zinc/32/85/57/165328557.db2.gz QLCVQACJURJIEB-UHFFFAOYSA-N 1 0 347.463 2.152 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3cn4ccsc4n3)CC2)n1 ZINC000369692543 166314855 /nfs/dbraw/zinc/31/48/55/166314855.db2.gz JNYCTFQLGIRQQJ-UHFFFAOYSA-N 1 0 332.389 2.338 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000272730273 269013714 /nfs/dbraw/zinc/01/37/14/269013714.db2.gz PDNZWVUEQYOXQK-ZDUSSCGKSA-N 1 0 333.392 2.185 20 5 EEBDRO CN1CC[NH+](CCCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000274748317 269048967 /nfs/dbraw/zinc/04/89/67/269048967.db2.gz NMVSTJKRTYOGQR-UHFFFAOYSA-N 1 0 329.404 2.096 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000278502976 269234542 /nfs/dbraw/zinc/23/45/42/269234542.db2.gz OHAUWJSRZDTDGW-HNNXBMFYSA-N 1 0 329.404 2.395 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278647189 269239388 /nfs/dbraw/zinc/23/93/88/269239388.db2.gz ZMUUJHQKWOFRRX-UHFFFAOYSA-N 1 0 347.415 2.354 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(C)CC2)n1 ZINC000280652873 269382364 /nfs/dbraw/zinc/38/23/64/269382364.db2.gz AJPFCMNUQWLTEO-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000280933885 269398821 /nfs/dbraw/zinc/39/88/21/269398821.db2.gz KRPCGKMGYNKNBQ-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237326657 274092918 /nfs/dbraw/zinc/09/29/18/274092918.db2.gz AOQZHEHZIJDBQI-SECBINFHSA-N 1 0 349.309 2.121 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000338697405 274118451 /nfs/dbraw/zinc/11/84/51/274118451.db2.gz XLGGIYBOPDRKBW-GOEBONIOSA-N 1 0 348.447 2.066 20 5 EEBDRO Cn1ccnc1[C@H](NCC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557572 274175494 /nfs/dbraw/zinc/17/54/94/274175494.db2.gz SNGNJTQQYDCDIN-QGZVFWFLSA-N 1 0 341.415 2.269 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272755090 274181489 /nfs/dbraw/zinc/18/14/89/274181489.db2.gz FIRAWUMGHUMDLD-ZYHUDNBSSA-N 1 0 335.408 2.009 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278589085 274378438 /nfs/dbraw/zinc/37/84/38/274378438.db2.gz QLINFIUCEIFCMB-RZIFZGNASA-N 1 0 347.415 2.225 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287074101 274932185 /nfs/dbraw/zinc/93/21/85/274932185.db2.gz HPVFFTANHFOHRA-YOEHRIQHSA-N 1 0 346.431 2.406 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121317030 274979806 /nfs/dbraw/zinc/97/98/06/274979806.db2.gz HQKCHRMACCOMPM-UHFFFAOYSA-N 1 0 340.383 2.500 20 5 EEBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000289525633 275124353 /nfs/dbraw/zinc/12/43/53/275124353.db2.gz VSGSYOXUIIOQHZ-AWEZNQCLSA-N 1 0 346.383 2.250 20 5 EEBDRO Cc1cnn([C@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290073488 275176939 /nfs/dbraw/zinc/17/69/39/275176939.db2.gz YLBQZDSOSYDKTG-INIZCTEOSA-N 1 0 343.387 2.010 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290202019 275188928 /nfs/dbraw/zinc/18/89/28/275188928.db2.gz UATJKMZAXHKEQY-KRWDZBQOSA-N 1 0 342.399 2.475 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)n1 ZINC000291607343 275322266 /nfs/dbraw/zinc/32/22/66/275322266.db2.gz CDLLIUXMVLZPJN-SFHVURJKSA-N 1 0 344.415 2.109 20 5 EEBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292161008 275386252 /nfs/dbraw/zinc/38/62/52/275386252.db2.gz VAVBQVNLTLUBOI-AWEZNQCLSA-N 1 0 347.415 2.497 20 5 EEBDRO CC1(C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175418644 276128854 /nfs/dbraw/zinc/12/88/54/276128854.db2.gz KJHXVPXUMZNOJA-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000077389351 276348788 /nfs/dbraw/zinc/34/87/88/276348788.db2.gz RBNNYYQFMCLIME-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000356771802 277370199 /nfs/dbraw/zinc/37/01/99/277370199.db2.gz NQOZKRKQAGVWLA-NSHDSACASA-N 1 0 339.392 2.071 20 5 EEBDRO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[NH2+]1 ZINC000237724550 278396039 /nfs/dbraw/zinc/39/60/39/278396039.db2.gz AAUWKXPFBLJTDW-KBPBESRZSA-N 1 0 346.431 2.020 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000491198664 288161641 /nfs/dbraw/zinc/16/16/41/288161641.db2.gz DGJVNPSTBBYJJL-AJNJCKRNSA-N 1 0 347.415 2.224 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000423702806 280398240 /nfs/dbraw/zinc/39/82/40/280398240.db2.gz YWOVETONLSHHRD-NSHDSACASA-N 1 0 327.331 2.247 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000120346566 281839388 /nfs/dbraw/zinc/83/93/88/281839388.db2.gz QQTSTCLXESKOHR-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000284059462 293024675 /nfs/dbraw/zinc/02/46/75/293024675.db2.gz QWTDWPPEQPTSKS-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294206403 293395595 /nfs/dbraw/zinc/39/55/95/293395595.db2.gz BYDXTANEXQRHCH-UHFFFAOYSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299220416 294689788 /nfs/dbraw/zinc/68/97/88/294689788.db2.gz XBSSQPXNLZCUAD-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO [NH3+]CCc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000423731840 295240620 /nfs/dbraw/zinc/24/06/20/295240620.db2.gz YOWKICIDMHROTF-UHFFFAOYSA-N 1 0 346.412 2.357 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238042375 295256884 /nfs/dbraw/zinc/25/68/84/295256884.db2.gz KALPJHHPHLSTNG-GZMMTYOYSA-N 1 0 331.294 2.471 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000128341003 295300663 /nfs/dbraw/zinc/30/06/63/295300663.db2.gz ASXLJSNHAJYABE-ZIAGYGMSSA-N 1 0 332.404 2.195 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420467775 303457909 /nfs/dbraw/zinc/45/79/09/303457909.db2.gz NNQQCMGMDXVQFA-NXEZZACHSA-N 1 0 347.824 2.044 20 5 EEBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160230946 311351371 /nfs/dbraw/zinc/35/13/71/311351371.db2.gz MIIJNYIGUNIGSP-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000331190625 311826321 /nfs/dbraw/zinc/82/63/21/311826321.db2.gz PPKYEIFLUDSGKE-GLQYFDAESA-N 1 0 341.433 2.106 20 5 EEBDRO C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338785962 312250427 /nfs/dbraw/zinc/25/04/27/312250427.db2.gz CGOVLCDJGRDANZ-RYUDHWBXSA-N 1 0 332.404 2.016 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342304034 312263897 /nfs/dbraw/zinc/26/38/97/312263897.db2.gz DIDDDTZGESUTFI-CHWSQXEVSA-N 1 0 337.445 2.486 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000395387083 312443505 /nfs/dbraw/zinc/44/35/05/312443505.db2.gz MULFOYZWGCIBJZ-UHFFFAOYSA-N 1 0 347.824 2.059 20 5 EEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416655411 313287149 /nfs/dbraw/zinc/28/71/49/313287149.db2.gz BABMQROLDGDUSO-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(O)CCOCC1 ZINC000418126579 313720248 /nfs/dbraw/zinc/72/02/48/313720248.db2.gz LVPAQJORFJIFGC-UHFFFAOYSA-N 1 0 326.368 2.391 20 5 EEBDRO [NH3+][C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418494893 313828361 /nfs/dbraw/zinc/82/83/61/313828361.db2.gz ZMGRHGGEIIKPFK-GOEBONIOSA-N 1 0 332.404 2.221 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421008000 314022431 /nfs/dbraw/zinc/02/24/31/314022431.db2.gz CWLDZFIWVLDIDT-KGLIPLIRSA-N 1 0 335.404 2.406 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000430627885 314561329 /nfs/dbraw/zinc/56/13/29/314561329.db2.gz NSRFGKSWMRZCNN-HNNXBMFYSA-N 1 0 334.420 2.291 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000440072614 315110795 /nfs/dbraw/zinc/11/07/95/315110795.db2.gz CMXFMAKEJNNRRY-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000441376045 315183472 /nfs/dbraw/zinc/18/34/72/315183472.db2.gz IZOMSUHBDFYLPG-TZMCWYRMSA-N 1 0 349.387 2.392 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342606 315243074 /nfs/dbraw/zinc/24/30/74/315243074.db2.gz FFAXWRMWUKVJAS-GZBFAFLISA-N 1 0 338.404 2.464 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000449179124 315428222 /nfs/dbraw/zinc/42/82/22/315428222.db2.gz YWMNZYRRIZGTBR-CYBMUJFWSA-N 1 0 343.383 2.180 20 5 EEBDRO Cc1cccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000514933582 316441304 /nfs/dbraw/zinc/44/13/04/316441304.db2.gz TWORMBAQBMXANY-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO CC1CC[NH+](CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 ZINC000516062527 316531330 /nfs/dbraw/zinc/53/13/30/316531330.db2.gz BSVRXBPKQHPARV-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO CC(C)[NH2+]CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000518959640 316754222 /nfs/dbraw/zinc/75/42/22/316754222.db2.gz CPVCVOIFTJPNKG-INIZCTEOSA-N 1 0 331.420 2.395 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc([N+](=O)[O-])c1 ZINC000522000145 316945217 /nfs/dbraw/zinc/94/52/17/316945217.db2.gz KBVFHSGHYDNBNI-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522011546 316947034 /nfs/dbraw/zinc/94/70/34/316947034.db2.gz OUBNZTYKKHANGL-AQUOVQTQSA-N 1 0 341.795 2.324 20 5 EEBDRO COc1ccc(CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000524312526 317013634 /nfs/dbraw/zinc/01/36/34/317013634.db2.gz XIEWPTYVUWMPIN-CYBMUJFWSA-N 1 0 335.404 2.137 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720667 317024285 /nfs/dbraw/zinc/02/42/85/317024285.db2.gz KAYLYGHKCPWQAV-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539043364 318051168 /nfs/dbraw/zinc/05/11/68/318051168.db2.gz BOACOKLOCISNHZ-IUODEOHRSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1cccnc1CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564205029 319072386 /nfs/dbraw/zinc/07/23/86/319072386.db2.gz UOEHUFKIPLXUOV-INIZCTEOSA-N 1 0 345.399 2.260 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000564913686 319127015 /nfs/dbraw/zinc/12/70/15/319127015.db2.gz SLCHYCLOQAWGQF-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567582991 319393249 /nfs/dbraw/zinc/39/32/49/319393249.db2.gz KBIKEYIRIKPMHB-SKDZVZGDSA-N 1 0 344.415 2.456 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000576839264 320209524 /nfs/dbraw/zinc/20/95/24/320209524.db2.gz WQBATVUBJYQOKR-VXGBXAGGSA-N 1 0 331.372 2.169 20 5 EEBDRO CCOc1cccc(NC[C@@H](C)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000183143713 323399520 /nfs/dbraw/zinc/39/95/20/323399520.db2.gz FYWQVJBRTBLDQB-CQSZACIVSA-N 1 0 336.436 2.431 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000581365014 324237099 /nfs/dbraw/zinc/23/70/99/324237099.db2.gz ZPCYOXSLYHEFGB-MRXNPFEDSA-N 1 0 341.367 2.390 20 5 EEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000582720852 324511771 /nfs/dbraw/zinc/51/17/71/324511771.db2.gz JYRPJSYQXJMAFE-MRXNPFEDSA-N 1 0 345.399 2.297 20 5 EEBDRO C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000583058913 324582620 /nfs/dbraw/zinc/58/26/20/324582620.db2.gz MEBKBBAVIWOSIJ-CQSZACIVSA-N 1 0 347.415 2.022 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000491353254 448003329 /nfs/dbraw/zinc/00/33/29/448003329.db2.gz UWSUPYMTPWBSGW-VOTSOKGWSA-N 1 0 329.360 2.005 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000067708880 463040992 /nfs/dbraw/zinc/04/09/92/463040992.db2.gz DRXPUPUHSOTJIK-OAHLLOKOSA-N 1 0 348.428 2.487 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000286788461 465025843 /nfs/dbraw/zinc/02/58/43/465025843.db2.gz GQWNQINMNQOXHP-RHSMWYFYSA-N 1 0 346.431 2.406 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000184789793 465026263 /nfs/dbraw/zinc/02/62/63/465026263.db2.gz RCPMCLSISZBQHX-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339061128 465059474 /nfs/dbraw/zinc/05/94/74/465059474.db2.gz WMCGHAUYYAZSRV-VIFPVBQESA-N 1 0 331.294 2.295 20 5 EEBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000296114543 465085796 /nfs/dbraw/zinc/08/57/96/465085796.db2.gz QOASHSMISBAZPU-LBPRGKRZSA-N 1 0 331.376 2.491 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]CCn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000336909526 465094689 /nfs/dbraw/zinc/09/46/89/465094689.db2.gz WHLQKBIMMXCRGL-UHFFFAOYSA-N 1 0 343.343 2.245 20 5 EEBDRO COc1cc(N2CCC(OCC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000351447601 465160367 /nfs/dbraw/zinc/16/03/67/465160367.db2.gz CPMZHXQFOOFESW-UHFFFAOYSA-N 1 0 341.383 2.290 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000351518901 465198637 /nfs/dbraw/zinc/19/86/37/465198637.db2.gz AMZGXDJEWKMBGH-NVXWUHKLSA-N 1 0 335.404 2.373 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045753667 462614646 /nfs/dbraw/zinc/61/46/46/462614646.db2.gz BJVBRIINSVHYDK-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000045753683 462615019 /nfs/dbraw/zinc/61/50/19/462615019.db2.gz GXYISFZXASTGDR-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153585551 462666459 /nfs/dbraw/zinc/66/64/59/462666459.db2.gz FJRQIUGASAYNSL-LLVKDONJSA-N 1 0 327.816 2.081 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047119591 462745523 /nfs/dbraw/zinc/74/55/23/462745523.db2.gz MYIPVXCAAXROBV-OLZOCXBDSA-N 1 0 334.420 2.487 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270758 462748791 /nfs/dbraw/zinc/74/87/91/462748791.db2.gz UDWBSBNVZLOMTD-RYUDHWBXSA-N 1 0 344.433 2.467 20 5 EEBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075750777 462755846 /nfs/dbraw/zinc/75/58/46/462755846.db2.gz QLJNWOLXCVPEDC-INMHGKMJSA-N 1 0 344.415 2.339 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C[NH3+])CCCC1 ZINC000154401853 462764431 /nfs/dbraw/zinc/76/44/31/462764431.db2.gz NXUUGSQICUNEBL-JTQLQIEISA-N 1 0 341.795 2.403 20 5 EEBDRO CC1(C)CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015529 462766763 /nfs/dbraw/zinc/76/67/63/462766763.db2.gz IURRXMSBDFQOTK-AWEZNQCLSA-N 1 0 341.433 2.041 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116716332 462769619 /nfs/dbraw/zinc/76/96/19/462769619.db2.gz NNGNYURNQZBDHN-UHFFFAOYSA-N 1 0 343.811 2.474 20 5 EEBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000117785408 462812340 /nfs/dbraw/zinc/81/23/40/462812340.db2.gz LGFMQVSBNLTUOM-SNVBAGLBSA-N 1 0 325.796 2.390 20 5 EEBDRO Cc1c(C(=O)N(C)CCCn2ccnc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000154903605 462821670 /nfs/dbraw/zinc/82/16/70/462821670.db2.gz ATNQZXQIXVDZFI-UHFFFAOYSA-N 1 0 347.331 2.170 20 5 EEBDRO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000050573896 463001590 /nfs/dbraw/zinc/00/15/90/463001590.db2.gz KHEQARGNNYUDBV-JTQLQIEISA-N 1 0 334.401 2.398 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCC[C@H](C)C1 ZINC000068118554 463095181 /nfs/dbraw/zinc/09/51/81/463095181.db2.gz CXKKRSUDYOUVMD-QWRGUYRKSA-N 1 0 338.383 2.166 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000157449169 463133045 /nfs/dbraw/zinc/13/30/45/463133045.db2.gz WZTCGHIHDLTLTB-MRXNPFEDSA-N 1 0 334.420 2.119 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055749957 463347902 /nfs/dbraw/zinc/34/79/02/463347902.db2.gz YDYZOCURWBPUIK-RBSFLKMASA-N 1 0 349.431 2.456 20 5 EEBDRO C[NH+]1CCN(c2ccc(NCc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000162937365 463551365 /nfs/dbraw/zinc/55/13/65/463551365.db2.gz YXKCMNVGROOVSR-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163028954 463558185 /nfs/dbraw/zinc/55/81/85/463558185.db2.gz OBAPXLCYBUUNFU-VHSXEESVSA-N 1 0 327.768 2.201 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000152528396 463700535 /nfs/dbraw/zinc/70/05/35/463700535.db2.gz NRVBGLLPOSIZPI-AWEZNQCLSA-N 1 0 337.420 2.366 20 5 EEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000193633570 463722620 /nfs/dbraw/zinc/72/26/20/463722620.db2.gz NTLYSRGRAWCMHR-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO C[C@@H](C[S@](C)=O)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118492 463754751 /nfs/dbraw/zinc/75/47/51/463754751.db2.gz JDBVBVGJLRGEIV-RULNZOCKSA-N 1 0 337.401 2.449 20 5 EEBDRO CCN1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185150064 463763458 /nfs/dbraw/zinc/76/34/58/463763458.db2.gz ZUPYCMNNHYZEDO-NSHDSACASA-N 1 0 341.408 2.379 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268967937 463830440 /nfs/dbraw/zinc/83/04/40/463830440.db2.gz NHQKQINMXWFOMU-CVEARBPZSA-N 1 0 348.403 2.094 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261718964 463838118 /nfs/dbraw/zinc/83/81/18/463838118.db2.gz CGAIQQKFEVPKBH-CYBMUJFWSA-N 1 0 334.763 2.363 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000261789311 463860217 /nfs/dbraw/zinc/86/02/17/463860217.db2.gz QGRZOIAAUGBKHZ-ZDUSSCGKSA-N 1 0 342.193 2.168 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000283432747 463882844 /nfs/dbraw/zinc/88/28/44/463882844.db2.gz JIQXJPGXBOIQMG-MNOVXSKESA-N 1 0 338.383 2.166 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261880406 463886350 /nfs/dbraw/zinc/88/63/50/463886350.db2.gz UDTDAWVWVBHCFK-QWHCGFSZSA-N 1 0 332.404 2.004 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000171692158 463906294 /nfs/dbraw/zinc/90/62/94/463906294.db2.gz DGKRADKGMSHOSR-CYBMUJFWSA-N 1 0 334.420 2.384 20 5 EEBDRO C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262005461 463922633 /nfs/dbraw/zinc/92/26/33/463922633.db2.gz RGJVOBGURZWLBN-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1[N+](=O)[O-] ZINC000278947176 464011316 /nfs/dbraw/zinc/01/13/16/464011316.db2.gz GUCYOWFRZAUETO-AAEUAGOBSA-N 1 0 343.387 2.194 20 5 EEBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000279692414 464128475 /nfs/dbraw/zinc/12/84/75/464128475.db2.gz GEUZFPIZYTXDSR-HNNXBMFYSA-N 1 0 331.372 2.495 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179444282 464137848 /nfs/dbraw/zinc/13/78/48/464137848.db2.gz OXJKYHMNPQHJJC-GFCCVEGCSA-N 1 0 330.388 2.029 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179552824 464156950 /nfs/dbraw/zinc/15/69/50/464156950.db2.gz DSBNZOANPQFAPK-UHFFFAOYSA-N 1 0 328.372 2.359 20 5 EEBDRO Cc1ccc(NCCCNC(=O)c2c[nH+]ccc2N)c([N+](=O)[O-])c1 ZINC000187860155 464169211 /nfs/dbraw/zinc/16/92/11/464169211.db2.gz NQMLRACFQPHNIO-UHFFFAOYSA-N 1 0 329.360 2.112 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000263755224 464180015 /nfs/dbraw/zinc/18/00/15/464180015.db2.gz TWRFULRDENBTET-UHFFFAOYSA-N 1 0 343.431 2.473 20 5 EEBDRO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000292408718 464223517 /nfs/dbraw/zinc/22/35/17/464223517.db2.gz OZEUMDJOKWUKKF-SECBINFHSA-N 1 0 331.775 2.244 20 5 EEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263903727 464235205 /nfs/dbraw/zinc/23/52/05/464235205.db2.gz QRQQIASIVPOVBN-UHFFFAOYSA-N 1 0 332.364 2.029 20 5 EEBDRO CC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000173612324 464293387 /nfs/dbraw/zinc/29/33/87/464293387.db2.gz FZCDOYPYXYGPTN-UHFFFAOYSA-N 1 0 334.420 2.178 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443716 464312685 /nfs/dbraw/zinc/31/26/85/464312685.db2.gz VVTFKHUQKOLTLZ-ZJUUUORDSA-N 1 0 347.462 2.345 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292879351 464374845 /nfs/dbraw/zinc/37/48/45/464374845.db2.gz DUXYHTCFLYUWRY-OCCSQVGLSA-N 1 0 331.376 2.077 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264600385 464390031 /nfs/dbraw/zinc/39/00/31/464390031.db2.gz NGVUAZYKJPMLEH-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO CN(C(=O)CN1CC[C@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000264622174 464398551 /nfs/dbraw/zinc/39/85/51/464398551.db2.gz RXQHTUMZEWFBKB-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO CN(C(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000264622176 464398745 /nfs/dbraw/zinc/39/87/45/464398745.db2.gz RXQHTUMZEWFBKB-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237905043 464401368 /nfs/dbraw/zinc/40/13/68/464401368.db2.gz OXAPZGNLPZPYNG-CABZTGNLSA-N 1 0 347.824 2.044 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237996290 464417435 /nfs/dbraw/zinc/41/74/35/464417435.db2.gz PPRJGXMZFUINOA-YOEHRIQHSA-N 1 0 349.434 2.398 20 5 EEBDRO Cc1cc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000272150036 464496886 /nfs/dbraw/zinc/49/68/86/464496886.db2.gz ZVFXBOFHAOWDBH-WBVHZDCISA-N 1 0 348.378 2.341 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537805 464503795 /nfs/dbraw/zinc/50/37/95/464503795.db2.gz SZYVMTDEKOXTOE-MLGOLLRUSA-N 1 0 332.356 2.391 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000265425762 464553523 /nfs/dbraw/zinc/55/35/23/464553523.db2.gz SPGBLWYLCWCOHI-NSHDSACASA-N 1 0 342.783 2.090 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294669564 464569525 /nfs/dbraw/zinc/56/95/25/464569525.db2.gz ZUJJGGGSADLQFF-NSHDSACASA-N 1 0 339.367 2.204 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000182145094 464582612 /nfs/dbraw/zinc/58/26/12/464582612.db2.gz KLFBWCJFGXGUAE-DGCLKSJQSA-N 1 0 349.387 2.126 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000190012340 464586728 /nfs/dbraw/zinc/58/67/28/464586728.db2.gz NODKHOAZCGINQO-RDJZCZTQSA-N 1 0 338.404 2.259 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cnccc2OC)c1 ZINC000294730746 464588128 /nfs/dbraw/zinc/58/81/28/464588128.db2.gz XKTQVEQONKECBU-UHFFFAOYSA-N 1 0 331.328 2.327 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190047483 464590529 /nfs/dbraw/zinc/59/05/29/464590529.db2.gz FAXMJFOJDNLEIS-WBMJQRKESA-N 1 0 330.388 2.198 20 5 EEBDRO CCOC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182246824 464610402 /nfs/dbraw/zinc/61/04/02/464610402.db2.gz GGLVZAUHKZEUGD-CABCVRRESA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@@H](CCCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294849894 464624633 /nfs/dbraw/zinc/62/46/33/464624633.db2.gz RYAPUEVTVYAUET-BBRMVZONSA-N 1 0 332.404 2.416 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285757358 464685028 /nfs/dbraw/zinc/68/50/28/464685028.db2.gz ZDXOWPGTLSGXPA-UONOGXRCSA-N 1 0 348.321 2.408 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265917105 464731774 /nfs/dbraw/zinc/73/17/74/464731774.db2.gz ASHGIHSTSIBVHL-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987403 464764727 /nfs/dbraw/zinc/76/47/27/464764727.db2.gz XNLAIQWMXQJWAD-AAEUAGOBSA-N 1 0 347.371 2.022 20 5 EEBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000295268848 464768938 /nfs/dbraw/zinc/76/89/38/464768938.db2.gz OHTPLIPMGBYVTO-NSHDSACASA-N 1 0 339.367 2.156 20 5 EEBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266759868 464813048 /nfs/dbraw/zinc/81/30/48/464813048.db2.gz SUODIWZHZOOYSS-GJZGRUSLSA-N 1 0 340.420 2.390 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465099 464829297 /nfs/dbraw/zinc/82/92/97/464829297.db2.gz KERMPZHTVQGKLO-GDBMZVCRSA-N 1 0 326.368 2.390 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465104 464829532 /nfs/dbraw/zinc/82/95/32/464829532.db2.gz KERMPZHTVQGKLO-GOEBONIOSA-N 1 0 326.368 2.390 20 5 EEBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000286323233 464880474 /nfs/dbraw/zinc/88/04/74/464880474.db2.gz AEPYVPKSDKCZQO-UHFFFAOYSA-N 1 0 346.387 2.364 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266950722 464882627 /nfs/dbraw/zinc/88/26/27/464882627.db2.gz ZRSWWSQSJMZHCO-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000593906767 468428373 /nfs/dbraw/zinc/42/83/73/468428373.db2.gz IORFRAWZCSDTRQ-UHFFFAOYSA-N 1 0 345.403 2.005 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282880997 464987580 /nfs/dbraw/zinc/98/75/80/464987580.db2.gz VRXWCQKGBXMNEI-QWRGUYRKSA-N 1 0 327.356 2.118 20 5 EEBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)NCC(F)(F)F ZINC000192755651 464990688 /nfs/dbraw/zinc/99/06/88/464990688.db2.gz FYAXBRAAUBNWSL-LBPRGKRZSA-N 1 0 331.294 2.240 20 5 EEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000337465184 465385105 /nfs/dbraw/zinc/38/51/05/465385105.db2.gz SXRIQZXHEXKPDV-NVGCLXPQSA-N 1 0 349.387 2.053 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1C1CC1 ZINC000342935574 465399351 /nfs/dbraw/zinc/39/93/51/465399351.db2.gz SMINHBIDGNBJON-WDEREUQCSA-N 1 0 328.372 2.431 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C)CC1 ZINC000298656951 465462323 /nfs/dbraw/zinc/46/23/23/465462323.db2.gz GXHYJFLQDWZSNY-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000298861644 465526906 /nfs/dbraw/zinc/52/69/06/465526906.db2.gz CYYKURKFUIAXNA-LBPRGKRZSA-N 1 0 328.372 2.100 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298912370 465540350 /nfs/dbraw/zinc/54/03/50/465540350.db2.gz DSQMMNSQQJRKEB-KBPBESRZSA-N 1 0 348.403 2.029 20 5 EEBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353028608 465587533 /nfs/dbraw/zinc/58/75/33/465587533.db2.gz BTUVMJPIONAGJV-SNVBAGLBSA-N 1 0 334.825 2.204 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000554859253 468446758 /nfs/dbraw/zinc/44/67/58/468446758.db2.gz KFOLWBPYAANUHT-OLZOCXBDSA-N 1 0 335.408 2.045 20 5 EEBDRO C[C@H]1COCCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361109555 465770347 /nfs/dbraw/zinc/77/03/47/465770347.db2.gz FMLUHHIIEVLVMK-YOEHRIQHSA-N 1 0 333.432 2.226 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299549217 465796384 /nfs/dbraw/zinc/79/63/84/465796384.db2.gz QOCKBTHNYIVSGB-CQSZACIVSA-N 1 0 343.387 2.021 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)c1 ZINC000361252294 465863744 /nfs/dbraw/zinc/86/37/44/465863744.db2.gz OPMUUHKGVBGSSY-GWCFXTLKSA-N 1 0 332.360 2.242 20 5 EEBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000331288749 466015297 /nfs/dbraw/zinc/01/52/97/466015297.db2.gz NLXYRMCKUPUGLZ-IOASZLSFSA-N 1 0 335.404 2.039 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346279193 466055602 /nfs/dbraw/zinc/05/56/02/466055602.db2.gz VENKWGRQLWVALA-DZKIICNBSA-N 1 0 347.415 2.162 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000591444695 468471684 /nfs/dbraw/zinc/47/16/84/468471684.db2.gz FRAQKVGMOQLTPG-WDEREUQCSA-N 1 0 333.417 2.425 20 5 EEBDRO O=C([C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331696110 466202484 /nfs/dbraw/zinc/20/24/84/466202484.db2.gz VLWYAAMUOGCUHU-MRXNPFEDSA-N 1 0 331.416 2.472 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+](C)Cc1ccccc1 ZINC000346857874 466203821 /nfs/dbraw/zinc/20/38/21/466203821.db2.gz XCNOJYIOYZPGIW-CYBMUJFWSA-N 1 0 330.388 2.184 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331709524 466210213 /nfs/dbraw/zinc/21/02/13/466210213.db2.gz FCHWZSCSONILAA-KDOFPFPSSA-N 1 0 347.415 2.105 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367270348 466230197 /nfs/dbraw/zinc/23/01/97/466230197.db2.gz KWTYTMROKICPHO-OAHLLOKOSA-N 1 0 333.388 2.463 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363179321 466265847 /nfs/dbraw/zinc/26/58/47/466265847.db2.gz JBBQMXSRVSZLET-KGLIPLIRSA-N 1 0 348.403 2.029 20 5 EEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241683 466265920 /nfs/dbraw/zinc/26/59/20/466265920.db2.gz SKTBMLIWQSDQQS-JSGCOSHPSA-N 1 0 349.387 2.128 20 5 EEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000331978968 466331538 /nfs/dbraw/zinc/33/15/38/466331538.db2.gz DZQPSPZHLOWXMU-GJZGRUSLSA-N 1 0 346.431 2.482 20 5 EEBDRO C[NH+]1CCC(C)(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000340840327 466375108 /nfs/dbraw/zinc/37/51/08/466375108.db2.gz NHVULAXJSZAUMZ-UHFFFAOYSA-N 1 0 347.462 2.204 20 5 EEBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000569439540 468489617 /nfs/dbraw/zinc/48/96/17/468489617.db2.gz AFAKGPKNTYDCFI-ABAIWWIYSA-N 1 0 326.418 2.385 20 5 EEBDRO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1=CC[N@H+](C)CC1 ZINC000358115474 466469484 /nfs/dbraw/zinc/46/94/84/466469484.db2.gz DEPZTQWPFSFJPW-LLVKDONJSA-N 1 0 328.372 2.456 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305811851 466472676 /nfs/dbraw/zinc/47/26/76/466472676.db2.gz MOKOFVMLPKBKOK-WWGRRREGSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332356049 466524422 /nfs/dbraw/zinc/52/44/22/466524422.db2.gz ZMTMEKAXXAHROH-DZGCQCFKSA-N 1 0 346.431 2.408 20 5 EEBDRO CCC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318533 466558382 /nfs/dbraw/zinc/55/83/82/466558382.db2.gz UBVKJBOEYQBUSO-DOMZBBRYSA-N 1 0 326.418 2.460 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ncc([N+](=O)[O-])cc1C ZINC000341078724 466565190 /nfs/dbraw/zinc/56/51/90/466565190.db2.gz ZYQDHPJFIDDUBR-UHFFFAOYSA-N 1 0 335.452 2.152 20 5 EEBDRO C[C@H]1COCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372925128 466639271 /nfs/dbraw/zinc/63/92/71/466639271.db2.gz JNUABBPHJOAKMG-LLVKDONJSA-N 1 0 325.340 2.031 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484372 466647127 /nfs/dbraw/zinc/64/71/27/466647127.db2.gz SKCOFWQPHXAJQZ-KBRIMQKVSA-N 1 0 337.395 2.417 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000363935978 466660515 /nfs/dbraw/zinc/66/05/15/466660515.db2.gz CXXZXYYDHZILSG-NWDGAFQWSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000423642096 466793784 /nfs/dbraw/zinc/79/37/84/466793784.db2.gz HYQOJYSDAMYSEY-MEBBXXQBSA-N 1 0 339.370 2.382 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C(C)(C)C2)cc1SC ZINC000423712544 466811183 /nfs/dbraw/zinc/81/11/83/466811183.db2.gz UAZRWKGRKFWAMT-UHFFFAOYSA-N 1 0 339.417 2.149 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238682 466812198 /nfs/dbraw/zinc/81/21/98/466812198.db2.gz YSZHFJNTZLDOSA-HNNXBMFYSA-N 1 0 334.420 2.215 20 5 EEBDRO CCOC(=O)c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000373676367 466885307 /nfs/dbraw/zinc/88/53/07/466885307.db2.gz WEMRIIRJPKHNKS-KGLIPLIRSA-N 1 0 349.387 2.047 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417711879 466915685 /nfs/dbraw/zinc/91/56/85/466915685.db2.gz DYLHDBHPWXZNST-UONOGXRCSA-N 1 0 349.435 2.097 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411965969 466950478 /nfs/dbraw/zinc/95/04/78/466950478.db2.gz KTKQEMCJGAQZHI-IBGZPJMESA-N 1 0 339.395 2.266 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417860968 466959377 /nfs/dbraw/zinc/95/93/77/466959377.db2.gz ZQSJNVUEBNQJKE-CXAGYDPISA-N 1 0 332.404 2.359 20 5 EEBDRO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000365928627 466991364 /nfs/dbraw/zinc/99/13/64/466991364.db2.gz ORRHDWXCMRBCMG-MGPQQGTHSA-N 1 0 349.435 2.216 20 5 EEBDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000424205979 467002944 /nfs/dbraw/zinc/00/29/44/467002944.db2.gz NPOSBVJCLOBRBV-AWEZNQCLSA-N 1 0 343.339 2.092 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000377132153 467037453 /nfs/dbraw/zinc/03/74/53/467037453.db2.gz WPQUAAYOPGZPTG-OWCLPIDISA-N 1 0 342.399 2.333 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366130526 467066767 /nfs/dbraw/zinc/06/67/67/467066767.db2.gz RHLHCGCVXOVUDP-QGZVFWFLSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425547848 467108992 /nfs/dbraw/zinc/10/89/92/467108992.db2.gz VWUYQTMHZDWFQU-CYBMUJFWSA-N 1 0 332.404 2.454 20 5 EEBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419819607 467255483 /nfs/dbraw/zinc/25/54/83/467255483.db2.gz MGBOCLHRZZUKOL-HOTGVXAUSA-N 1 0 334.372 2.466 20 5 EEBDRO Cc1cc(NC(=O)CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451571842 467261300 /nfs/dbraw/zinc/26/13/00/467261300.db2.gz QFXHJFNFKHBHBJ-AWEZNQCLSA-N 1 0 344.371 2.709 20 5 EEBDRO Cc1nc(NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000420286695 467339205 /nfs/dbraw/zinc/33/92/05/467339205.db2.gz QQANOYIHWQBXFI-DZGCQCFKSA-N 1 0 345.378 2.638 20 5 EEBDRO COc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1OC ZINC000429639001 467354937 /nfs/dbraw/zinc/35/49/37/467354937.db2.gz ZYIYQPMDAWQKKU-GFCCVEGCSA-N 1 0 339.392 2.057 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452368210 467360293 /nfs/dbraw/zinc/36/02/93/467360293.db2.gz QMGWYXZUNYZHKC-OAHLLOKOSA-N 1 0 349.431 2.295 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420375322 467384461 /nfs/dbraw/zinc/38/44/61/467384461.db2.gz IVTYSHDQQXAUEN-QWRGUYRKSA-N 1 0 340.811 2.103 20 5 EEBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430541081 467436689 /nfs/dbraw/zinc/43/66/89/467436689.db2.gz ASCXHTUQGDLPTO-NEPJUHHUSA-N 1 0 338.795 2.013 20 5 EEBDRO C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C[NH3+] ZINC000430572535 467442503 /nfs/dbraw/zinc/44/25/03/467442503.db2.gz KFOXYIFCIWDMBS-SMDDNHRTSA-N 1 0 331.376 2.204 20 5 EEBDRO CCC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400116541 467455767 /nfs/dbraw/zinc/45/57/67/467455767.db2.gz IRZIZKBSONOUAL-ZFWWWQNUSA-N 1 0 341.433 2.060 20 5 EEBDRO Cc1sc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420741345 467469203 /nfs/dbraw/zinc/46/92/03/467469203.db2.gz HNMLQZWXVJXGPV-UHFFFAOYSA-N 1 0 347.462 2.116 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000415116126 467493823 /nfs/dbraw/zinc/49/38/23/467493823.db2.gz VSYJWJGFMKGKQF-INIZCTEOSA-N 1 0 331.372 2.404 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448962219 467608587 /nfs/dbraw/zinc/60/85/87/467608587.db2.gz PWHKYENDTIOXDZ-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449202287 467623174 /nfs/dbraw/zinc/62/31/74/467623174.db2.gz JUQXDHWVCUBYCB-UONOGXRCSA-N 1 0 333.388 2.065 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000449233558 467625134 /nfs/dbraw/zinc/62/51/34/467625134.db2.gz MDSZNZKPZIFEFF-JSGCOSHPSA-N 1 0 326.418 2.083 20 5 EEBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000449585490 467666476 /nfs/dbraw/zinc/66/64/76/467666476.db2.gz FERCIIRHCYHWCB-LRDDRELGSA-N 1 0 334.351 2.477 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493100794 467841392 /nfs/dbraw/zinc/84/13/92/467841392.db2.gz WPCYHGUALZUFFV-VWEWAFOGSA-N 1 0 333.363 2.300 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493788804 467983872 /nfs/dbraw/zinc/98/38/72/467983872.db2.gz LNOBLEUDYHKUSX-SREVYHEPSA-N 1 0 329.360 2.005 20 5 EEBDRO Cc1c(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000487298045 468031566 /nfs/dbraw/zinc/03/15/66/468031566.db2.gz RMUCLBCSHOLKQC-MRXNPFEDSA-N 1 0 334.420 2.385 20 5 EEBDRO C/C(=C/c1ccccc1)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293607 468042602 /nfs/dbraw/zinc/04/26/02/468042602.db2.gz QSURMQISDSBHPZ-XMCSSRMMSA-N 1 0 330.388 2.188 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966259 468060882 /nfs/dbraw/zinc/06/08/82/468060882.db2.gz LSBNASPOHIQXQR-JCGVRSQUSA-N 1 0 344.367 2.446 20 5 EEBDRO CC1(C)C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000517359588 468081989 /nfs/dbraw/zinc/08/19/89/468081989.db2.gz JAMZPOTXGRHXIY-UKRRQHHQSA-N 1 0 338.404 2.129 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000489316971 468127312 /nfs/dbraw/zinc/12/73/12/468127312.db2.gz ALASAKKPPAMPQL-OAHLLOKOSA-N 1 0 337.445 2.486 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000518849945 468128818 /nfs/dbraw/zinc/12/88/18/468128818.db2.gz GTPOMRDGWNYRKX-UHFFFAOYSA-N 1 0 349.387 2.318 20 5 EEBDRO C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000589837493 468187833 /nfs/dbraw/zinc/18/78/33/468187833.db2.gz QMUIIFFQYHAUSQ-JTQLQIEISA-N 1 0 341.358 2.262 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]([C@@H]4CCOC4)CC3)ccnc21 ZINC000590083665 468212815 /nfs/dbraw/zinc/21/28/15/468212815.db2.gz DTHOWUROZZIQCT-CYBMUJFWSA-N 1 0 328.372 2.054 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533890542 468228277 /nfs/dbraw/zinc/22/82/77/468228277.db2.gz AMVQDVHZDAJKHM-ZDUSSCGKSA-N 1 0 344.415 2.465 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000534443304 468259637 /nfs/dbraw/zinc/25/96/37/468259637.db2.gz FCNXYHSXYVKDLH-INIZCTEOSA-N 1 0 346.431 2.468 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600314185 468530579 /nfs/dbraw/zinc/53/05/79/468530579.db2.gz MNZRLHBXJRMWLH-CYBMUJFWSA-N 1 0 344.415 2.467 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000594730219 468667353 /nfs/dbraw/zinc/66/73/53/468667353.db2.gz CPVVKEKHAGLSEP-NSHDSACASA-N 1 0 345.186 2.249 20 5 EEBDRO Cn1ncc(C2CC2)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594733563 468667880 /nfs/dbraw/zinc/66/78/80/468667880.db2.gz YJGGYDRBQBFCKZ-UHFFFAOYSA-N 1 0 343.387 2.324 20 5 EEBDRO CC[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332324 468678649 /nfs/dbraw/zinc/67/86/49/468678649.db2.gz WNPQQAPSSNRWLB-ZFWWWQNUSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)n2)c1 ZINC000592356785 468682361 /nfs/dbraw/zinc/68/23/61/468682361.db2.gz JNELYVQDUIEIQK-LBPRGKRZSA-N 1 0 326.316 2.255 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597856643 468694571 /nfs/dbraw/zinc/69/45/71/468694571.db2.gz ZTMHVFCLUBLJPP-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471316 468705380 /nfs/dbraw/zinc/70/53/80/468705380.db2.gz UMYNDJVFBFMZRQ-UHFFFAOYSA-N 1 0 332.404 2.058 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000595010034 468742599 /nfs/dbraw/zinc/74/25/99/468742599.db2.gz FNFHVXOLXHOUGI-ZDUSSCGKSA-N 1 0 337.420 2.365 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219378 468796751 /nfs/dbraw/zinc/79/67/51/468796751.db2.gz LBNDTCQUYRGJJC-CQSZACIVSA-N 1 0 347.415 2.497 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593079328 468862563 /nfs/dbraw/zinc/86/25/63/468862563.db2.gz GEMOQMJRKUYBGK-UHFFFAOYSA-N 1 0 332.335 2.372 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000601427806 468868958 /nfs/dbraw/zinc/86/89/58/468868958.db2.gz HRIDCOMUVSBUMV-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593459422 468989918 /nfs/dbraw/zinc/98/99/18/468989918.db2.gz PFYTWCJRXPGNRK-OAHLLOKOSA-N 1 0 335.379 2.363 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915154 469047956 /nfs/dbraw/zinc/04/79/56/469047956.db2.gz IXGNUWSHAYYTMD-PRHODGIISA-N 1 0 342.783 2.483 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000595874869 469057590 /nfs/dbraw/zinc/05/75/90/469057590.db2.gz YXYIOOYDPABXIL-UHFFFAOYSA-N 1 0 340.351 2.326 20 5 EEBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000599045482 469098767 /nfs/dbraw/zinc/09/87/67/469098767.db2.gz HXRFPAYWICDQDQ-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595983508 469106627 /nfs/dbraw/zinc/10/66/27/469106627.db2.gz PQAUQXNCKORPBO-HZSPNIEDSA-N 1 0 348.447 2.415 20 5 EEBDRO Cc1ncc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000601969767 469118554 /nfs/dbraw/zinc/11/85/54/469118554.db2.gz SVSIZSNDSKQNSD-JQWIXIFHSA-N 1 0 337.401 2.450 20 5 EEBDRO O=c1[nH]ccc(NCC2([NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000596054446 469130903 /nfs/dbraw/zinc/13/09/03/469130903.db2.gz NJFYMCAXSIJFLB-UHFFFAOYSA-N 1 0 336.392 2.142 20 5 EEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611200705 469190400 /nfs/dbraw/zinc/19/04/00/469190400.db2.gz XWMIZOKXGYFEKH-UHFFFAOYSA-N 1 0 335.408 2.046 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000611215055 469194784 /nfs/dbraw/zinc/19/47/84/469194784.db2.gz GVHGBLKAJZQGOR-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615878657 469333439 /nfs/dbraw/zinc/33/34/39/469333439.db2.gz FTUNTLGLNJKCDC-CHWSQXEVSA-N 1 0 333.388 2.057 20 5 EEBDRO CN(Cc1ccccc1)C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602518306 469347691 /nfs/dbraw/zinc/34/76/91/469347691.db2.gz PHBGDIHOYDGBJB-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000602568232 469363624 /nfs/dbraw/zinc/36/36/24/469363624.db2.gz KAAFKHWMUMEEFJ-HIFRSBDPSA-N 1 0 345.447 2.173 20 5 EEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596822946 469370757 /nfs/dbraw/zinc/37/07/57/469370757.db2.gz IPJGHCDSIWXSMD-HNNXBMFYSA-N 1 0 348.403 2.278 20 5 EEBDRO O=c1[nH]ccc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000603415129 469386770 /nfs/dbraw/zinc/38/67/70/469386770.db2.gz GHWWAUIUDIALMF-KBPBESRZSA-N 1 0 326.356 2.159 20 5 EEBDRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000616178576 469391048 /nfs/dbraw/zinc/39/10/48/469391048.db2.gz XFVPCZZAHOKRBO-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000616240110 469404525 /nfs/dbraw/zinc/40/45/25/469404525.db2.gz FEPQHXIFRIBUSF-OAHLLOKOSA-N 1 0 332.404 2.187 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000603662392 469422317 /nfs/dbraw/zinc/42/23/17/469422317.db2.gz WYGZCOIFZLMVJA-GOSISDBHSA-N 1 0 349.431 2.160 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000619583317 469645307 /nfs/dbraw/zinc/64/53/07/469645307.db2.gz ISYYABOPHNZFAK-OAHLLOKOSA-N 1 0 347.415 2.273 20 5 EEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905677 469885863 /nfs/dbraw/zinc/88/58/63/469885863.db2.gz HSILLEJRAJPDAC-CYBMUJFWSA-N 1 0 328.372 2.386 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609962773 469972163 /nfs/dbraw/zinc/97/21/63/469972163.db2.gz ZNMFIFJHTVPWPO-GFCCVEGCSA-N 1 0 336.392 2.133 20 5 EEBDRO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610022234 469975652 /nfs/dbraw/zinc/97/56/52/469975652.db2.gz FQZRYSQVWWWPRE-ZDUSSCGKSA-N 1 0 349.435 2.036 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610294257 470001023 /nfs/dbraw/zinc/00/10/23/470001023.db2.gz ANZOSVAJMRSCST-AWEZNQCLSA-N 1 0 334.420 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](CCCO)C3)o2)cc1 ZINC000452131582 485470163 /nfs/dbraw/zinc/47/01/63/485470163.db2.gz PNIGVYZZMNOFHK-GFCCVEGCSA-N 1 0 332.360 2.239 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184171364 534334101 /nfs/dbraw/zinc/33/41/01/534334101.db2.gz GJLDGYFLRVYREM-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000027676013 522072614 /nfs/dbraw/zinc/07/26/14/522072614.db2.gz YAFMNZONZVEUFJ-CYBMUJFWSA-N 1 0 349.412 2.454 20 5 EEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000451469739 535070072 /nfs/dbraw/zinc/07/00/72/535070072.db2.gz MLLYSRYTVLDXSU-FVQBIDKESA-N 1 0 333.388 2.327 20 5 EEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000193099532 535145731 /nfs/dbraw/zinc/14/57/31/535145731.db2.gz FQKSBPNULJPJQD-AWEZNQCLSA-N 1 0 343.449 2.240 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265206609 536445132 /nfs/dbraw/zinc/44/51/32/536445132.db2.gz AEULZASTLWMHAU-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726590290 576278579 /nfs/dbraw/zinc/27/85/79/576278579.db2.gz WMZQXDBGVLXHNI-CYBMUJFWSA-N 1 0 346.387 2.443 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000732567283 577184700 /nfs/dbraw/zinc/18/47/00/577184700.db2.gz HTVIVCBHBATPIN-JTQLQIEISA-N 1 0 340.380 2.446 20 5 EEBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CCCC1 ZINC000772978470 577308633 /nfs/dbraw/zinc/30/86/33/577308633.db2.gz GQZPRIFHRXIYTO-UHFFFAOYSA-N 1 0 346.431 2.212 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773130158 577318089 /nfs/dbraw/zinc/31/80/89/577318089.db2.gz HENIVWYJHSHQPH-IRXDYDNUSA-N 1 0 346.431 2.068 20 5 EEBDRO CC(C)(C)OC(=O)[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586007 577463348 /nfs/dbraw/zinc/46/33/48/577463348.db2.gz HHZZFHXWDGDWMU-CABCVRRESA-N 1 0 336.388 2.434 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC(C)(C)C ZINC000765422597 577500703 /nfs/dbraw/zinc/50/07/03/577500703.db2.gz AIRSNHSILQGCIF-CYBMUJFWSA-N 1 0 348.447 2.456 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000768804303 577562912 /nfs/dbraw/zinc/56/29/12/577562912.db2.gz CWBLTWMYGICXNE-WDEREUQCSA-N 1 0 347.462 2.055 20 5 EEBDRO Cn1c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000750858880 577743790 /nfs/dbraw/zinc/74/37/90/577743790.db2.gz DIDFZXVVLBIHJB-UHFFFAOYSA-N 1 0 334.420 2.460 20 5 EEBDRO NC(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000754506506 577807330 /nfs/dbraw/zinc/80/73/30/577807330.db2.gz VADXSXBNWHMTSE-JKSUJKDBSA-N 1 0 335.404 2.042 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000736101953 578179888 /nfs/dbraw/zinc/17/98/88/578179888.db2.gz OBMQEENOADDYLS-LBPRGKRZSA-N 1 0 339.367 2.103 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001020402360 674638860 /nfs/dbraw/zinc/63/88/60/674638860.db2.gz DQYPLQQMBUKOPU-JOCQHMNTSA-N 1 0 332.335 2.113 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001021808617 676483049 /nfs/dbraw/zinc/48/30/49/676483049.db2.gz AWEKUNSMALMLPN-OKILXGFUSA-N 1 0 349.435 2.036 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n1C ZINC001021837741 676515881 /nfs/dbraw/zinc/51/58/81/676515881.db2.gz UAENWMRFQUXBPI-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001021957381 676562134 /nfs/dbraw/zinc/56/21/34/676562134.db2.gz QMZMNYWPXKRMAA-GASCZTMLSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001022153293 676706596 /nfs/dbraw/zinc/70/65/96/676706596.db2.gz BDKHJDWWTQWUEV-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO Cc1noc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1C ZINC001022255206 676768893 /nfs/dbraw/zinc/76/88/93/676768893.db2.gz XRNBAYUXGGKEBO-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCCCC3)c2)CC1 ZINC000934035786 677771551 /nfs/dbraw/zinc/77/15/51/677771551.db2.gz CAYUVCLMINSEFM-UHFFFAOYSA-N 1 0 347.419 2.364 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983529178 682776901 /nfs/dbraw/zinc/77/69/01/682776901.db2.gz OIWJSYGSCLSYLG-WKILWMFISA-N 1 0 343.383 2.415 20 5 EEBDRO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001059304645 684079943 /nfs/dbraw/zinc/07/99/43/684079943.db2.gz VESZAFGQOVXYAB-SHTZXODSSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246188 684381635 /nfs/dbraw/zinc/38/16/35/684381635.db2.gz MTPRKRBTIYRYLT-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO O=[N+]([O-])c1ncc(Br)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229561041 1187586466 /nfs/dbraw/zinc/58/64/66/1187586466.db2.gz UKTWOLZIWKKVJJ-NSHDSACASA-N 1 0 328.166 2.225 20 5 EEBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159788368 1188846385 /nfs/dbraw/zinc/84/63/85/1188846385.db2.gz PMTBQWBAXYVWLL-LBPRGKRZSA-N 1 0 342.193 2.167 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCC1 ZINC000863923009 1197924756 /nfs/dbraw/zinc/92/47/56/1197924756.db2.gz IUNZBLOMEVSJTI-UHFFFAOYSA-N 1 0 346.431 2.457 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872247054 1198110523 /nfs/dbraw/zinc/11/05/23/1198110523.db2.gz KFQHBZORQYQJGD-GFCCVEGCSA-N 1 0 344.293 2.133 20 5 EEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825743465 1198933131 /nfs/dbraw/zinc/93/31/31/1198933131.db2.gz YHRWQRJZMYXNJR-SJLPKXTDSA-N 1 0 346.431 2.151 20 5 EEBDRO O=C(Cc1cccc(F)c1F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134400723 1199534212 /nfs/dbraw/zinc/53/42/12/1199534212.db2.gz PBSMOEZKNPOFQN-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO Cc1nc(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001134703128 1199760550 /nfs/dbraw/zinc/76/05/50/1199760550.db2.gz GYDZFWDZMHEHNA-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000877028554 1199848952 /nfs/dbraw/zinc/84/89/52/1199848952.db2.gz ZPJYJIIUXWBFGK-LBPRGKRZSA-N 1 0 348.325 2.126 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000877833490 1200136396 /nfs/dbraw/zinc/13/63/96/1200136396.db2.gz WZCGWKPUSUGQSX-QXCFHYIPSA-N 1 0 342.395 2.382 20 5 EEBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001170682681 1200839769 /nfs/dbraw/zinc/83/97/69/1200839769.db2.gz QYINVPDEYKJEQX-NSHDSACASA-N 1 0 325.328 2.101 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000866261697 1201479266 /nfs/dbraw/zinc/47/92/66/1201479266.db2.gz YUHSSYLBDWWTTA-MCIONIFRSA-N 1 0 339.411 2.364 20 5 EEBDRO COC1CCN(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866281077 1201482823 /nfs/dbraw/zinc/48/28/23/1201482823.db2.gz FEYBLYSJGIMTSV-CYBMUJFWSA-N 1 0 339.411 2.365 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000866296661 1201487323 /nfs/dbraw/zinc/48/73/23/1201487323.db2.gz NPVKYXVCEUGMBD-NSHDSACASA-N 1 0 346.424 2.468 20 5 EEBDRO Cc1c(OS(=O)(=O)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000866546451 1201544819 /nfs/dbraw/zinc/54/48/19/1201544819.db2.gz IOIOIKJKCLLZCQ-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO CC[C@H]1COCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000881464688 1201704154 /nfs/dbraw/zinc/70/41/54/1201704154.db2.gz QIWPENNJGCALAH-LBPRGKRZSA-N 1 0 341.795 2.089 20 5 EEBDRO CC1(C)[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000884363972 1202302462 /nfs/dbraw/zinc/30/24/62/1202302462.db2.gz LLXCVDCDFBEZPM-VHSXEESVSA-N 1 0 342.193 2.213 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885977322 1202461041 /nfs/dbraw/zinc/46/10/41/1202461041.db2.gz HBLIYBRXNIESMZ-AWEZNQCLSA-N 1 0 336.388 2.291 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CCc3nc[nH]c3[C@@H]2c2ccccc2)n1 ZINC000931795114 1207463834 /nfs/dbraw/zinc/46/38/34/1207463834.db2.gz RHCCXEGNILNOKG-KRWDZBQOSA-N 1 0 338.371 2.162 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932279084 1207574219 /nfs/dbraw/zinc/57/42/19/1207574219.db2.gz UOLNXAWXFVUOJF-JLSDUUJJSA-N 1 0 344.415 2.420 20 5 EEBDRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000932440564 1207606483 /nfs/dbraw/zinc/60/64/83/1207606483.db2.gz PXCNPEFSKLYQMD-HNNXBMFYSA-N 1 0 335.404 2.353 20 5 EEBDRO Cn1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415132986 1214562368 /nfs/dbraw/zinc/56/23/68/1214562368.db2.gz BNXHUCLOURLGKT-SFHVURJKSA-N 1 0 341.415 2.323 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796588623 1221449618 /nfs/dbraw/zinc/44/96/18/1221449618.db2.gz VEJNWLLRLQAMFN-GOEBONIOSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC001019991277 1229432292 /nfs/dbraw/zinc/43/22/92/1229432292.db2.gz PQRZLMYJUSXGQP-WKILWMFISA-N 1 0 340.383 2.349 20 5 EEBDRO CC1(NC(=O)c2ccn[nH]2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045370982 1233700366 /nfs/dbraw/zinc/70/03/66/1233700366.db2.gz ZBHDMLLONROOMP-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO CC1(NC(=O)c2ncc[nH]2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045435035 1233743698 /nfs/dbraw/zinc/74/36/98/1233743698.db2.gz DTQJVOCHCFPTHV-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCC[NH2+]1 ZINC000902489528 1237704287 /nfs/dbraw/zinc/70/42/87/1237704287.db2.gz QVQKDDOONDJTTE-UKRRQHHQSA-N 1 0 334.420 2.434 20 5 EEBDRO O=C(NCC1=CC[N@H+](CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675048 1240709879 /nfs/dbraw/zinc/70/98/79/1240709879.db2.gz QKYQGZMWBUOFAQ-IAGOWNOFSA-N 1 0 347.459 2.370 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cocn1 ZINC001001237117 1241884559 /nfs/dbraw/zinc/88/45/59/1241884559.db2.gz CLXIKEFXQPPCDO-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903975324 1242817058 /nfs/dbraw/zinc/81/70/58/1242817058.db2.gz ZUULWXDHVUHSFV-ZDUSSCGKSA-N 1 0 339.823 2.497 20 5 EEBDRO CCCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC001101152286 1245455897 /nfs/dbraw/zinc/45/58/97/1245455897.db2.gz YGOYIEKULKMIMY-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO C[NH+]1CCC(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001057880621 1248046303 /nfs/dbraw/zinc/04/63/03/1248046303.db2.gz MWQNJNWJKHOSDM-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO CN(c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001068678737 1251511726 /nfs/dbraw/zinc/51/17/26/1251511726.db2.gz CBZONDWAAIBZAN-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571983 1278149512 /nfs/dbraw/zinc/14/95/12/1278149512.db2.gz RKKOOZZUZLZOJM-GXSJLCMTSA-N 1 0 332.326 2.464 20 5 EEBDRO COCCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199496423 1285679431 /nfs/dbraw/zinc/67/94/31/1285679431.db2.gz FLXYDFXCKHCKPC-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO COCCCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199674596 1285769299 /nfs/dbraw/zinc/76/92/99/1285769299.db2.gz IFCOBVJDLNOEMM-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000852727761 1292178141 /nfs/dbraw/zinc/17/81/41/1292178141.db2.gz RCDKAICKTDINIC-UHFFFAOYSA-N 1 0 340.351 2.326 20 5 EEBDRO Cc1c(C(=O)NCC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855410017 1293206008 /nfs/dbraw/zinc/20/60/08/1293206008.db2.gz AGRZYJUQYHMSIP-SECBINFHSA-N 1 0 338.364 2.190 20 5 EEBDRO C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000857767992 1293911387 /nfs/dbraw/zinc/91/13/87/1293911387.db2.gz JNEGYUMIAVEOQM-QWRGUYRKSA-N 1 0 343.330 2.010 20 5 EEBDRO Nc1[nH]c2cc(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)ccc2[nH+]1 ZINC001217662988 1297481394 /nfs/dbraw/zinc/48/13/94/1297481394.db2.gz AWKAZYFBEVNKBG-UHFFFAOYSA-N 1 0 341.262 2.304 20 5 EEBDRO CC(=O)Oc1ccc2c(CO[C@@H](C)C[N+](C)(C)C)cc(=O)oc2c1 ZINC001223648164 1300209155 /nfs/dbraw/zinc/20/91/55/1300209155.db2.gz SJYUJBCPXYJPTG-LBPRGKRZSA-N 1 0 334.392 2.330 20 5 EEBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001225100888 1300890615 /nfs/dbraw/zinc/89/06/15/1300890615.db2.gz MRYYPWQABDECTM-FPCVCCKLSA-N 1 0 343.488 2.122 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001227214687 1301734347 /nfs/dbraw/zinc/73/43/47/1301734347.db2.gz OROVDVBMHRTEPU-CYBMUJFWSA-N 1 0 333.364 2.111 20 5 EEBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449065 1301833184 /nfs/dbraw/zinc/83/31/84/1301833184.db2.gz KIRZKFKRLTYJNA-CQSZACIVSA-N 1 0 326.352 2.004 20 5 EEBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)n1 ZINC001229468547 1302796507 /nfs/dbraw/zinc/79/65/07/1302796507.db2.gz VQOOVLJVPYUCHW-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO COC(=O)c1cc(O[C@H]2CCC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229941656 1302993567 /nfs/dbraw/zinc/99/35/67/1302993567.db2.gz KSAOUSWHWWSCRI-JTQLQIEISA-N 1 0 326.324 2.384 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2C)CCC1 ZINC001111842526 1303982933 /nfs/dbraw/zinc/98/29/33/1303982933.db2.gz OGGUDHANFUTNOZ-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CN1CCC2(C[NH+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001232224751 1304042749 /nfs/dbraw/zinc/04/27/49/1304042749.db2.gz SAINHENPHUYFSE-UHFFFAOYSA-N 1 0 332.407 2.447 20 5 EEBDRO Cn1cccc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234027545 1304692136 /nfs/dbraw/zinc/69/21/36/1304692136.db2.gz KOKNDHPWQMGQQX-UHFFFAOYSA-N 1 0 330.388 2.185 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4c3cccc4[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001234674004 1305005845 /nfs/dbraw/zinc/00/58/45/1305005845.db2.gz GCXSJBGUILQLKD-AMKSKSKJSA-N 1 0 327.340 2.326 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117749716 1306161624 /nfs/dbraw/zinc/16/16/24/1306161624.db2.gz ACYWORWTGLDRRP-STQMWFEESA-N 1 0 334.420 2.476 20 5 EEBDRO CC1(C)CN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001120023854 1309287162 /nfs/dbraw/zinc/28/71/62/1309287162.db2.gz DCGSGKKAHYIKOS-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001120590024 1309628937 /nfs/dbraw/zinc/62/89/37/1309628937.db2.gz JXNVDXPLAFJNMZ-SJORKVTESA-N 1 0 334.347 2.265 20 5 EEBDRO [NH3+][C@@H](Cc1nc(-c2cccnc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248213866 1310864554 /nfs/dbraw/zinc/86/45/54/1310864554.db2.gz JKTMEMSDCYGUJZ-CYBMUJFWSA-N 1 0 325.328 2.152 20 5 EEBDRO CCOC(=O)c1ccnc(Nc2cccc(CC[NH3+])c2)c1[N+](=O)[O-] ZINC001161082293 1320378967 /nfs/dbraw/zinc/37/89/67/1320378967.db2.gz SCKZMQQEBNUDQH-UHFFFAOYSA-N 1 0 330.344 2.411 20 5 EEBDRO CN1CC[NH+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC001161711239 1320597126 /nfs/dbraw/zinc/59/71/26/1320597126.db2.gz YMGYEAIMNBKBBU-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[N@H+]3CCCO)sc2c1 ZINC000828421771 1314457761 /nfs/dbraw/zinc/45/77/61/1314457761.db2.gz NFFUPGPQEXHBKR-LBPRGKRZSA-N 1 0 336.417 2.463 20 5 EEBDRO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC(C)(C)C1 ZINC000840163304 1315314687 /nfs/dbraw/zinc/31/46/87/1315314687.db2.gz HALSYONETAUDRG-UHFFFAOYSA-N 1 0 346.387 2.441 20 5 EEBDRO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000841857672 1315625043 /nfs/dbraw/zinc/62/50/43/1315625043.db2.gz JVEWBZMKLBHILP-JQWIXIFHSA-N 1 0 340.811 2.375 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476504 1315712832 /nfs/dbraw/zinc/71/28/32/1315712832.db2.gz QCEXVGXPBKKWTQ-HFBDOXOYSA-N 1 0 340.811 2.163 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000843086989 1315838324 /nfs/dbraw/zinc/83/83/24/1315838324.db2.gz HPRRYPZLAKEKCR-FUHWJXTLSA-N 1 0 346.383 2.048 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CC2CC[NH2+]CC2)n1 ZINC000843185411 1315861553 /nfs/dbraw/zinc/86/15/53/1315861553.db2.gz TUSZMNKEGNZBKR-UHFFFAOYSA-N 1 0 331.376 2.175 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000843346963 1315895601 /nfs/dbraw/zinc/89/56/01/1315895601.db2.gz PVEULAVTQQQOKS-HNNXBMFYSA-N 1 0 338.364 2.305 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000843498887 1315924232 /nfs/dbraw/zinc/92/42/32/1315924232.db2.gz VRQRKKAGQSXEBG-GFCCVEGCSA-N 1 0 336.348 2.059 20 5 EEBDRO O=C(/C=C/c1ccco1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154218446 1316997941 /nfs/dbraw/zinc/99/79/41/1316997941.db2.gz OJIDMZKINPVBON-CMDGGOBGSA-N 1 0 329.356 2.497 20 5 EEBDRO CC(C)SCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154795748 1317318286 /nfs/dbraw/zinc/31/82/86/1317318286.db2.gz CDEXXLRZTZVYBV-UHFFFAOYSA-N 1 0 325.434 2.332 20 5 EEBDRO Cc1ncsc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155009508 1317418685 /nfs/dbraw/zinc/41/86/85/1317418685.db2.gz GTOZUDLIELKDBA-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ncccc4[N+](=O)[O-])nc3c2)CC1 ZINC001251527093 1317466422 /nfs/dbraw/zinc/46/64/22/1317466422.db2.gz ZOJCEBITRFYVJL-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO Cc1cc(N[C@@H]2COCCC23C[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001155462336 1317606449 /nfs/dbraw/zinc/60/64/49/1317606449.db2.gz QIFKSPUNANRPEZ-OAHLLOKOSA-N 1 0 328.372 2.242 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c21 ZINC001155602042 1317669525 /nfs/dbraw/zinc/66/95/25/1317669525.db2.gz MGSUVHQIGPKGML-PXAZEXFGSA-N 1 0 343.387 2.109 20 5 EEBDRO CC(C)(C)[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001253304530 1317824036 /nfs/dbraw/zinc/82/40/36/1317824036.db2.gz YZQDJAWMGSUUCM-MRXNPFEDSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001254479244 1318083805 /nfs/dbraw/zinc/08/38/05/1318083805.db2.gz UNYAJPVVZLKDNQ-SFHVURJKSA-N 1 0 330.432 2.344 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001254545964 1318117263 /nfs/dbraw/zinc/11/72/63/1318117263.db2.gz DTXZTRCAULVBCY-HOCLYGCPSA-N 1 0 333.432 2.369 20 5 EEBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556934 1318120798 /nfs/dbraw/zinc/12/07/98/1318120798.db2.gz NLRXDNPGOQJBQK-UTXMOHQDSA-N 1 0 331.416 2.228 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@@H]3C[C@H]1[C@H](C(F)(F)F)O3)C2 ZINC001254609573 1318143606 /nfs/dbraw/zinc/14/36/06/1318143606.db2.gz XOYQWUYXDCRYLW-XDQVBPFNSA-N 1 0 328.290 2.466 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001157114183 1318418300 /nfs/dbraw/zinc/41/83/00/1318418300.db2.gz CRNUJHLTVFNWAC-CQSZACIVSA-N 1 0 332.360 2.144 20 5 EEBDRO Nc1cc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001157381125 1318591366 /nfs/dbraw/zinc/59/13/66/1318591366.db2.gz PGUAZNJGTWMFKT-UHFFFAOYSA-N 1 0 338.371 2.378 20 5 EEBDRO CC1([NH+]2CCCC2)CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001157659681 1318779397 /nfs/dbraw/zinc/77/93/97/1318779397.db2.gz JDAJEWSXEBZNSS-UHFFFAOYSA-N 1 0 340.811 2.336 20 5 EEBDRO Cc1cc(Cl)nc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c1[N+](=O)[O-] ZINC001158042951 1318982516 /nfs/dbraw/zinc/98/25/16/1318982516.db2.gz REIGCYJGARTVNI-UHFFFAOYSA-N 1 0 345.750 2.053 20 5 EEBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc([N+](=O)[O-])c(C)n1 ZINC001158297828 1319153996 /nfs/dbraw/zinc/15/39/96/1319153996.db2.gz VPXNKRRZLBWUDW-UHFFFAOYSA-N 1 0 341.371 2.455 20 5 EEBDRO Cc1cc(N(c2cccc([N+](=O)[O-])n2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158387281 1319215713 /nfs/dbraw/zinc/21/57/13/1319215713.db2.gz ACEJHTRIMWTBKS-UHFFFAOYSA-N 1 0 328.376 2.287 20 5 EEBDRO Cc1cc(Cl)nc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001159239340 1319700478 /nfs/dbraw/zinc/70/04/78/1319700478.db2.gz FHHHYOHCQOTDSF-RULNRJAQSA-N 1 0 344.799 2.088 20 5 EEBDRO COc1ncc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159631355 1319925539 /nfs/dbraw/zinc/92/55/39/1319925539.db2.gz OHGWZLVWKGXMGC-UHFFFAOYSA-N 1 0 343.387 2.147 20 5 EEBDRO COc1nc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001161101357 1320384361 /nfs/dbraw/zinc/38/43/61/1320384361.db2.gz YDMOBPISRUZSDW-UHFFFAOYSA-N 1 0 343.387 2.470 20 5 EEBDRO Nc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161131843 1320396335 /nfs/dbraw/zinc/39/63/35/1320396335.db2.gz PZJZCJOGGGWFCW-UHFFFAOYSA-N 1 0 343.387 2.354 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH3+])(c3cccnc3)CC2)n1 ZINC001161582634 1320547116 /nfs/dbraw/zinc/54/71/16/1320547116.db2.gz CDGYRBVOFIUFNU-UHFFFAOYSA-N 1 0 327.388 2.456 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162458608 1320861501 /nfs/dbraw/zinc/86/15/01/1320861501.db2.gz VXFFQKWVGAKCJC-ZYHUDNBSSA-N 1 0 336.392 2.132 20 5 EEBDRO Cn1cc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc21 ZINC001162828822 1320969932 /nfs/dbraw/zinc/96/99/32/1320969932.db2.gz LVUAXHDQJRNCMH-UHFFFAOYSA-N 1 0 338.371 2.175 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001162853922 1320975314 /nfs/dbraw/zinc/97/53/14/1320975314.db2.gz PAAIUCVKPLBTFF-ZDUSSCGKSA-N 1 0 327.340 2.403 20 5 EEBDRO CN1Cc2cc(N3C[C@@H]([NH3+])Cc4ccccc43)cc([N+](=O)[O-])c2N1 ZINC001162855261 1320975527 /nfs/dbraw/zinc/97/55/27/1320975527.db2.gz YFEYRHFHFDHLAW-ZDUSSCGKSA-N 1 0 325.372 2.389 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163282953 1321087520 /nfs/dbraw/zinc/08/75/20/1321087520.db2.gz CNZPDWYMWQGMCG-ZUZCIYMTSA-N 1 0 349.416 2.170 20 5 EEBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001163362401 1321105791 /nfs/dbraw/zinc/10/57/91/1321105791.db2.gz NDOFXTCUSYPTIP-WCQYABFASA-N 1 0 336.392 2.307 20 5 EEBDRO CCOCCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163774455 1321214518 /nfs/dbraw/zinc/21/45/18/1321214518.db2.gz RVAHSSDHFMVDGW-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H](C[NH3+])CC[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164469254 1321388949 /nfs/dbraw/zinc/38/89/49/1321388949.db2.gz ZDGNJXXLGWIZJN-WDEREUQCSA-N 1 0 331.376 2.110 20 5 EEBDRO O=C(NCCC1(C[NH2+]CCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494376 1321395865 /nfs/dbraw/zinc/39/58/65/1321395865.db2.gz HTCRPNJWXWVZTI-IAGOWNOFSA-N 1 0 345.443 2.161 20 5 EEBDRO Cc1cc(-n2ncc3c2CC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165220582 1321476595 /nfs/dbraw/zinc/47/65/95/1321476595.db2.gz SJDRWDWFCOPOIU-UHFFFAOYSA-N 1 0 336.355 2.192 20 5 EEBDRO COc1nc(SC)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001165260516 1321485302 /nfs/dbraw/zinc/48/53/02/1321485302.db2.gz HKXZYNYFLPCAJV-JTQLQIEISA-N 1 0 341.437 2.259 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165319955 1321500121 /nfs/dbraw/zinc/50/01/21/1321500121.db2.gz MXCXLTJIXRZYJC-LLVKDONJSA-N 1 0 325.800 2.397 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1-n1cc2c(cccc2N2CC[NH2+]CC2)n1 ZINC001166991138 1321833228 /nfs/dbraw/zinc/83/32/28/1321833228.db2.gz ITOUFEGRURPHJQ-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO CC/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001204663146 1322205150 /nfs/dbraw/zinc/20/51/50/1322205150.db2.gz SWCPBZJDSLSHOZ-WLRTZDKTSA-N 1 0 349.435 2.013 20 5 EEBDRO C[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C[C@H]1O ZINC001204858079 1322239835 /nfs/dbraw/zinc/23/98/35/1322239835.db2.gz NHHIQMWWGAEKJJ-AUUYWEPGSA-N 1 0 347.378 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC001262557415 1322322433 /nfs/dbraw/zinc/32/24/33/1322322433.db2.gz ANEAPJGUVXJMNP-MRXNPFEDSA-N 1 0 349.362 2.175 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001324418386 1333678326 /nfs/dbraw/zinc/67/83/26/1333678326.db2.gz VIMDOKCVVMNNAR-JSGCOSHPSA-N 1 0 341.433 2.283 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC([NH+]3CCCCC3)C2)cccc1-c1nn[nH]n1 ZINC001609599911 1352029770 /nfs/dbraw/zinc/02/97/70/1352029770.db2.gz HVKODEDJFTXXNN-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC001336686161 1336581180 /nfs/dbraw/zinc/58/11/80/1336581180.db2.gz YGFSZDAMMKJVCX-UHFFFAOYSA-N 1 0 343.387 2.470 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001336762283 1336591445 /nfs/dbraw/zinc/59/14/45/1336591445.db2.gz BXMUJFQQPXAGTG-HOTGVXAUSA-N 1 0 338.310 2.230 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001337887393 1336748631 /nfs/dbraw/zinc/74/86/31/1336748631.db2.gz FJSPOEZKEFSXLO-ZBEGNZNMSA-N 1 0 344.415 2.382 20 5 EEBDRO CS/C=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066622 1336952900 /nfs/dbraw/zinc/95/29/00/1336952900.db2.gz WBWSNRHNKOUDEE-BJMVGYQFSA-N 1 0 336.417 2.162 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C(C)(C)C)CC1 ZINC001340766632 1337243084 /nfs/dbraw/zinc/24/30/84/1337243084.db2.gz QYTRVAIGCVQRPA-CYBMUJFWSA-N 1 0 334.420 2.338 20 5 EEBDRO Nc1c(F)c(N2CCC([NH2+]C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001348743183 1337572284 /nfs/dbraw/zinc/57/22/84/1337572284.db2.gz RCWQNUICUQIPNX-UHFFFAOYSA-N 1 0 338.383 2.054 20 5 EEBDRO CN(CCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001100139184 1338060107 /nfs/dbraw/zinc/06/01/07/1338060107.db2.gz XSUDIPZIDBQXTD-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO Cc1cccc(CCC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001200472588 1338350691 /nfs/dbraw/zinc/35/06/91/1338350691.db2.gz RKZWGWJLRNEZPB-QZTJIDSGSA-N 1 0 345.443 2.173 20 5 EEBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578676077 1344293920 /nfs/dbraw/zinc/29/39/20/1344293920.db2.gz XUQRUMHPXCAUQM-LLVKDONJSA-N 1 0 340.811 2.435 20 5 EEBDRO COc1c(O)ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001579136639 1344341970 /nfs/dbraw/zinc/34/19/70/1344341970.db2.gz PFXNKFOBVWJKJZ-HNNXBMFYSA-N 1 0 343.383 2.456 20 5 EEBDRO COc1ccccc1CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579306454 1344369523 /nfs/dbraw/zinc/36/95/23/1344369523.db2.gz QXBJNWDUCWEQEI-GOSISDBHSA-N 1 0 343.383 2.136 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001579642768 1344402231 /nfs/dbraw/zinc/40/22/31/1344402231.db2.gz UYCIFEMBOBASCC-SFHVURJKSA-N 1 0 346.431 2.450 20 5 EEBDRO Cc1ccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC001579692209 1344406383 /nfs/dbraw/zinc/40/63/83/1344406383.db2.gz UZYIORJBSVGQAZ-INIZCTEOSA-N 1 0 348.790 2.442 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001580322743 1344510573 /nfs/dbraw/zinc/51/05/73/1344510573.db2.gz ZUQWOUBQXUWKQF-JTQLQIEISA-N 1 0 329.303 2.150 20 5 EEBDRO C[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1cccnc1 ZINC001589966005 1349084160 /nfs/dbraw/zinc/08/41/60/1349084160.db2.gz UMQPJLFVJTUSBY-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO C[C@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001605441218 1351158610 /nfs/dbraw/zinc/15/86/10/1351158610.db2.gz ZWBDJWFOVODRNZ-JTQLQIEISA-N 1 0 325.332 2.021 20 5 EEBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605723104 1351218337 /nfs/dbraw/zinc/21/83/37/1351218337.db2.gz ODRZJCJLRGDPHG-ZIAGYGMSSA-N 1 0 345.407 2.224 20 5 EEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553447 1368032717 /nfs/dbraw/zinc/03/27/17/1368032717.db2.gz ANMOQTWQGVMGNK-DZGCQCFKSA-N 1 0 336.436 2.184 20 5 EEBDRO Cc1cc(N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001110610350 1369202681 /nfs/dbraw/zinc/20/26/81/1369202681.db2.gz ZIOYZQSKNIYIQH-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO Cc1c(C(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000852851677 1369308266 /nfs/dbraw/zinc/30/82/66/1369308266.db2.gz HCEIGOMVDONVCR-UHFFFAOYSA-N 1 0 336.348 2.121 20 5 EEBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001112132676 1371355847 /nfs/dbraw/zinc/35/58/47/1371355847.db2.gz TXJOBWWDICKJRM-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)[N@@H+]1CCc2sccc2C1 ZINC001347905452 1372976327 /nfs/dbraw/zinc/97/63/27/1372976327.db2.gz GWTAQJJWYIKROW-JTQLQIEISA-N 1 0 333.417 2.492 20 5 EEBDRO Cc1cc(N(C)CCNC(=O)C23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC001100407311 1373035215 /nfs/dbraw/zinc/03/52/15/1373035215.db2.gz MPWQJWGYEZTMML-UHFFFAOYSA-N 1 0 346.431 2.084 20 5 EEBDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH3+] ZINC001577236964 1403628194 /nfs/dbraw/zinc/62/81/94/1403628194.db2.gz OBYRQEUKWSFRON-IUODEOHRSA-N 1 0 344.419 2.437 20 5 EEBDRO [NH3+][C@H]1CC2(CCN(c3ncc([N+](=O)[O-])cn3)CC2)Oc2ccccc21 ZINC001580165101 1403840173 /nfs/dbraw/zinc/84/01/73/1403840173.db2.gz DNLKWUXSRPQLFL-AWEZNQCLSA-N 1 0 341.371 2.206 20 5 EEBDRO [NH3+]C1(c2noc(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCCC1 ZINC000261606738 1405775225 /nfs/dbraw/zinc/77/52/25/1405775225.db2.gz AECBTXYYHFVQBE-UHFFFAOYSA-N 1 0 346.343 2.068 20 5 EEBDRO Cc1nc(C)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001751957944 1406148900 /nfs/dbraw/zinc/14/89/00/1406148900.db2.gz VDVHAGYYQSHUQQ-UHFFFAOYSA-N 1 0 346.387 2.452 20 5 EEBDRO CSc1cccc(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000846650288 790310096 /nfs/dbraw/zinc/31/00/96/790310096.db2.gz NYQKXBFSRQUUIG-UHFFFAOYSA-N 1 0 325.390 2.072 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001091397879 790549479 /nfs/dbraw/zinc/54/94/79/790549479.db2.gz XETCEAUAYHURNA-OKILXGFUSA-N 1 0 334.420 2.162 20 5 EEBDRO CC1(C)CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)C1 ZINC000982278988 779504395 /nfs/dbraw/zinc/50/43/95/779504395.db2.gz VTXBXVJGBDLQOW-RGCFKVTRSA-N 1 0 349.475 2.258 20 5 EEBDRO CC(C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843696201 779825782 /nfs/dbraw/zinc/82/57/82/779825782.db2.gz REZZXHGOAAAJPX-GVDBMIGSSA-N 1 0 331.416 2.163 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn4ccnc4s3)CC2)n1 ZINC000894080773 780508386 /nfs/dbraw/zinc/50/83/86/780508386.db2.gz XNDLZGZLHORLHW-UHFFFAOYSA-N 1 0 332.389 2.338 20 5 EEBDRO COc1ncc([N+](=O)[O-])cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167982610 781357115 /nfs/dbraw/zinc/35/71/15/781357115.db2.gz ILTZHCQNFUTAES-UHFFFAOYSA-N 1 0 328.328 2.149 20 5 EEBDRO COc1nc(SC)nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168593697 790883683 /nfs/dbraw/zinc/88/36/83/790883683.db2.gz STHCAANPQBNAJL-UWVGGRQHSA-N 1 0 341.437 2.400 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000906095226 783696717 /nfs/dbraw/zinc/69/67/17/783696717.db2.gz WAZPFWOBIFQNCI-VXGBXAGGSA-N 1 0 338.383 2.252 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817163117 784549842 /nfs/dbraw/zinc/54/98/42/784549842.db2.gz VUJIHFWIUFYHTH-CYBMUJFWSA-N 1 0 340.811 2.484 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000819061935 785382100 /nfs/dbraw/zinc/38/21/00/785382100.db2.gz YGEHGIYJWYXMRI-WWGRRREGSA-N 1 0 335.404 2.007 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1nccc(C)c1[N+](=O)[O-] ZINC001107391508 787104956 /nfs/dbraw/zinc/10/49/56/787104956.db2.gz JPPDQONNUCPYKF-FPLPWBNLSA-N 1 0 349.435 2.113 20 5 EEBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000823243570 787655986 /nfs/dbraw/zinc/65/59/86/787655986.db2.gz LBLZOCDJIDJBSD-UHFFFAOYSA-N 1 0 337.420 2.425 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825111826 788442209 /nfs/dbraw/zinc/44/22/09/788442209.db2.gz PZRODKXCNHNCEU-WMLDXEAASA-N 1 0 349.431 2.257 20 5 EEBDRO Cc1c(-n2nnc3ccc(C[NH3+])cc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170023305 806027527 /nfs/dbraw/zinc/02/75/27/806027527.db2.gz BODCGIHWDNYOJM-UHFFFAOYSA-N 1 0 328.288 2.004 20 5 EEBDRO CCCCCCOCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149025322 792856529 /nfs/dbraw/zinc/85/65/29/792856529.db2.gz BAQXHFMOUNNDPU-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001093185522 794793154 /nfs/dbraw/zinc/79/31/54/794793154.db2.gz ZZKBEKNJVUVFLY-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO O=[N+]([O-])c1c(N[C@@H]2CCNc3ccccc32)ncnc1C1C[NH2+]C1 ZINC001168646756 795497180 /nfs/dbraw/zinc/49/71/80/795497180.db2.gz SZMJFWMGPAUMKX-CYBMUJFWSA-N 1 0 326.360 2.040 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915521712 796302826 /nfs/dbraw/zinc/30/28/26/796302826.db2.gz MNNSZJMSOAXTJZ-AWEZNQCLSA-N 1 0 346.387 2.362 20 5 EEBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001106779862 796518899 /nfs/dbraw/zinc/51/88/99/796518899.db2.gz KPAONXUHTANWSW-UHFFFAOYSA-N 1 0 349.435 2.126 20 5 EEBDRO Cc1cc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001094700113 796540764 /nfs/dbraw/zinc/54/07/64/796540764.db2.gz CZQIJVWVXKSSRF-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCO[C@@]3(CCOC3)C1)CC2 ZINC001172903660 797131100 /nfs/dbraw/zinc/13/11/00/797131100.db2.gz IHTAFDWNKBJPGU-WMZOPIPTSA-N 1 0 332.400 2.334 20 5 EEBDRO CC(=O)N1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C ZINC001172922206 797152719 /nfs/dbraw/zinc/15/27/19/797152719.db2.gz XHOGJYFTCNGBDM-DYVFJYSZSA-N 1 0 331.416 2.395 20 5 EEBDRO CC(C)[C@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007514 797194693 /nfs/dbraw/zinc/19/46/93/797194693.db2.gz SAMSCVCZFWRUJJ-HNNXBMFYSA-N 1 0 343.374 2.448 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)CCSC)c1F ZINC001173176616 797277314 /nfs/dbraw/zinc/27/73/14/797277314.db2.gz KRESBSHNLJGPRF-QWRGUYRKSA-N 1 0 346.424 2.377 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC[C@H]2CO)c1F ZINC001173177677 797277691 /nfs/dbraw/zinc/27/76/91/797277691.db2.gz CRRLETHEJNUNDF-GVXVVHGQSA-N 1 0 326.368 2.424 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ncc3c2CC[NH2+]C3)c1F ZINC001173180696 797278937 /nfs/dbraw/zinc/27/89/37/797278937.db2.gz LZLHVYGZASAFOX-SNVBAGLBSA-N 1 0 334.351 2.388 20 5 EEBDRO CC[NH+]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173187345 797280916 /nfs/dbraw/zinc/28/09/16/797280916.db2.gz ZPWWBAAXFNERGO-GFCCVEGCSA-N 1 0 325.384 2.311 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]([NH+](C)C)C2)c1F ZINC001173186400 797280950 /nfs/dbraw/zinc/28/09/50/797280950.db2.gz RRWXVLDZTFTKJB-RYUDHWBXSA-N 1 0 325.384 2.309 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cnn(C)c2)c1F ZINC001173189743 797282218 /nfs/dbraw/zinc/28/22/18/797282218.db2.gz QNEKAQWZGZGRQY-LLVKDONJSA-N 1 0 336.367 2.239 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001173232848 797312363 /nfs/dbraw/zinc/31/23/63/797312363.db2.gz UDDVWFPCRDIMEC-CYBMUJFWSA-N 1 0 333.388 2.490 20 5 EEBDRO CCN(CCNc1ncc(C)cc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001106873833 797632214 /nfs/dbraw/zinc/63/22/14/797632214.db2.gz DSUUZHAOYKQAPU-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccccc1C[N@@H+]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000917432888 798222340 /nfs/dbraw/zinc/22/23/40/798222340.db2.gz IQPYFWUFYXMTHM-UHFFFAOYSA-N 1 0 329.404 2.265 20 5 EEBDRO Cc1noc(C)c1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175875306 798275659 /nfs/dbraw/zinc/27/56/59/798275659.db2.gz ASPYHPSBCXOZQL-UHFFFAOYSA-N 1 0 346.387 2.038 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001110191390 798281677 /nfs/dbraw/zinc/28/16/77/798281677.db2.gz REQBKIFSNFJDHD-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177214282 798796087 /nfs/dbraw/zinc/79/60/87/798796087.db2.gz CGTDFJCWOFLAPP-NOAKMGFQSA-N 1 0 343.427 2.483 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177313864 798853385 /nfs/dbraw/zinc/85/33/85/798853385.db2.gz UKXHFNPIEGFGPK-XAHVKCOTSA-N 1 0 343.855 2.403 20 5 EEBDRO C[NH+](C)C1(C(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001110253076 801053367 /nfs/dbraw/zinc/05/33/67/801053367.db2.gz IGIQEZQTTKSRLV-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922462725 801114446 /nfs/dbraw/zinc/11/44/46/801114446.db2.gz NOWWPKBHIPWBTI-UHFFFAOYSA-N 1 0 341.367 2.106 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624155 801525364 /nfs/dbraw/zinc/52/53/64/801525364.db2.gz OBEJCVRLHTUBRR-HWKANZROSA-N 1 0 348.399 2.246 20 5 EEBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922677752 801658269 /nfs/dbraw/zinc/65/82/69/801658269.db2.gz SZBHSQGUHWHAQH-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO CN(CC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169013409 803571526 /nfs/dbraw/zinc/57/15/26/803571526.db2.gz UWQYUJYZIDMFBD-TZMCWYRMSA-N 1 0 327.425 2.231 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)C1 ZINC001169027131 803574950 /nfs/dbraw/zinc/57/49/50/803574950.db2.gz ZXGLKZGICUXDOP-NTDBWNAOSA-N 1 0 345.443 2.269 20 5 EEBDRO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169034251 803578556 /nfs/dbraw/zinc/57/85/56/803578556.db2.gz GKCDDYUYRGLBAL-MAUKXSAKSA-N 1 0 331.416 2.457 20 5 EEBDRO CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@](C)(C[NH3+])C1 ZINC001169137307 803629586 /nfs/dbraw/zinc/62/95/86/803629586.db2.gz KXHNGHRZSICOHG-HWPZZCPQSA-N 1 0 335.408 2.044 20 5 EEBDRO CC1(C)C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169143559 803634606 /nfs/dbraw/zinc/63/46/06/803634606.db2.gz KPGNZDYABPHCGV-QLJPJBMISA-N 1 0 335.408 2.044 20 5 EEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000791748001 809403349 /nfs/dbraw/zinc/40/33/49/809403349.db2.gz KHGHSGGUUWDDLG-UHFFFAOYSA-N 1 0 341.433 2.229 20 5 EEBDRO CC[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOC1 ZINC000792437792 809747646 /nfs/dbraw/zinc/74/76/46/809747646.db2.gz OSNACXBMGDAAFL-OAHLLOKOSA-N 1 0 325.340 2.221 20 5 EEBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355727 809902930 /nfs/dbraw/zinc/90/29/30/809902930.db2.gz QNPVAHZVPPPQJF-PXAZEXFGSA-N 1 0 336.388 2.419 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NNC(=S)NCC1CC[NH+](C)CC1 ZINC000806591338 811944283 /nfs/dbraw/zinc/94/42/83/811944283.db2.gz YKPVCNMIZULLAH-UHFFFAOYSA-N 1 0 337.449 2.036 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808190382 812505626 /nfs/dbraw/zinc/50/56/26/812505626.db2.gz GIVQGNLVKOEHFM-CZUORRHYSA-N 1 0 329.404 2.461 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccc2occc21 ZINC001131607610 813019478 /nfs/dbraw/zinc/01/94/78/813019478.db2.gz NNIITYUWGMKBSU-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H]1[NH3+] ZINC001522704509 1119469413 /nfs/dbraw/zinc/46/94/13/1119469413.db2.gz BCBVADROQWNBOB-SFHVURJKSA-N 1 0 349.434 2.350 20 5 EEBDRO Cc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001526955940 1120627539 /nfs/dbraw/zinc/62/75/39/1120627539.db2.gz CCSIMNZKEIUJFS-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@]2(C)CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000180964966 234047086 /nfs/dbraw/zinc/04/70/86/234047086.db2.gz LIEWDQCXYKCRCU-KRWDZBQOSA-N 1 0 334.420 2.354 20 5 EEBDRO [NH3+]CCCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000181029955 234065704 /nfs/dbraw/zinc/06/57/04/234065704.db2.gz XBPAVHUGOSIDLI-UHFFFAOYSA-N 1 0 348.325 2.271 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181840494 234346130 /nfs/dbraw/zinc/34/61/30/234346130.db2.gz ZVIGNZYPJNYVRV-NFAWXSAZSA-N 1 0 335.404 2.238 20 5 EEBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000183354323 235024140 /nfs/dbraw/zinc/02/41/40/235024140.db2.gz HIWKOBTXQHKTBF-CQSZACIVSA-N 1 0 326.303 2.047 20 5 EEBDRO C[NH+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]2C1 ZINC000351590214 283210846 /nfs/dbraw/zinc/21/08/46/283210846.db2.gz SCVQCZBKZBOHFL-NXEZZACHSA-N 1 0 343.305 2.247 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237814376 283515738 /nfs/dbraw/zinc/51/57/38/283515738.db2.gz TWYJMPZTFRCEIH-ZYHUDNBSSA-N 1 0 341.795 2.261 20 5 EEBDRO COc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266174585 201218439 /nfs/dbraw/zinc/21/84/39/201218439.db2.gz SIBHSAFOMINWFC-INIZCTEOSA-N 1 0 336.436 2.287 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236768279 242351959 /nfs/dbraw/zinc/35/19/59/242351959.db2.gz YYNZLGJXRGSJJY-OAHLLOKOSA-N 1 0 345.403 2.039 20 5 EEBDRO CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447601793 242292204 /nfs/dbraw/zinc/29/22/04/242292204.db2.gz RCJJLHLRRPQOLP-KGLIPLIRSA-N 1 0 349.435 2.171 20 5 EEBDRO C[C@H]1C[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813710 242319105 /nfs/dbraw/zinc/31/91/05/242319105.db2.gz XELNHXFREZRNCO-GOEBONIOSA-N 1 0 348.447 2.322 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000448182324 242376475 /nfs/dbraw/zinc/37/64/75/242376475.db2.gz SGWAIGGSBIHXHT-SWLSCSKDSA-N 1 0 341.433 2.089 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500167 243136758 /nfs/dbraw/zinc/13/67/58/243136758.db2.gz MVZORSDXGGMEEX-XFBWCDHKSA-N 1 0 335.404 2.491 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069857406 203058432 /nfs/dbraw/zinc/05/84/32/203058432.db2.gz FBDCIVSMBVRCME-MRXNPFEDSA-N 1 0 349.431 2.148 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455648209 244049068 /nfs/dbraw/zinc/04/90/68/244049068.db2.gz NHHMUOXDOYATMI-GFCCVEGCSA-N 1 0 335.408 2.026 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000456366289 244232113 /nfs/dbraw/zinc/23/21/13/244232113.db2.gz ZTOUOJGQPDCFBV-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000089512454 203579301 /nfs/dbraw/zinc/57/93/01/203579301.db2.gz ADUSEDIOYUQARW-MRXNPFEDSA-N 1 0 333.392 2.017 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262777522 245174248 /nfs/dbraw/zinc/17/42/48/245174248.db2.gz LWZUMDHCVVZTDR-PWSUYJOCSA-N 1 0 341.795 2.131 20 5 EEBDRO CC1(C)Cc2ccsc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459587240 245179101 /nfs/dbraw/zinc/17/91/01/245179101.db2.gz UZODBUVUUMWRDE-CYBMUJFWSA-N 1 0 336.417 2.051 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1C ZINC000236722566 203968446 /nfs/dbraw/zinc/96/84/46/203968446.db2.gz SPPFVEKIYDOKQX-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000105790892 204158783 /nfs/dbraw/zinc/15/87/83/204158783.db2.gz NEHDQEGOBIYIMD-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000109426590 204283819 /nfs/dbraw/zinc/28/38/19/204283819.db2.gz ZRQNLBBZHSXXDF-UHFFFAOYSA-N 1 0 337.424 2.121 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000109426647 204284235 /nfs/dbraw/zinc/28/42/35/204284235.db2.gz IERDHDBPBNPVDQ-UHFFFAOYSA-N 1 0 345.403 2.262 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000110992710 204330173 /nfs/dbraw/zinc/33/01/73/204330173.db2.gz CHQDLLCUZRNXQV-GFCCVEGCSA-N 1 0 339.367 2.103 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237667257 204713823 /nfs/dbraw/zinc/71/38/23/204713823.db2.gz ACMLSHRPGGQOSU-SECBINFHSA-N 1 0 347.293 2.018 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246826258 205235416 /nfs/dbraw/zinc/23/54/16/205235416.db2.gz ALYZYHKPVVCNDK-GJZGRUSLSA-N 1 0 346.431 2.116 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130932085 205266183 /nfs/dbraw/zinc/26/61/83/205266183.db2.gz NDWUAGHNROOSIH-CYBMUJFWSA-N 1 0 348.403 2.217 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000491548622 246068659 /nfs/dbraw/zinc/06/86/59/246068659.db2.gz SGKAKOKQKVAFMW-UHFFFAOYSA-N 1 0 344.314 2.282 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157089347 206116682 /nfs/dbraw/zinc/11/66/82/206116682.db2.gz VMKWKYVBTJSBQX-CABCVRRESA-N 1 0 347.415 2.306 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158455136 206191824 /nfs/dbraw/zinc/19/18/24/206191824.db2.gz JZPLRIOVRQKMJJ-GOSISDBHSA-N 1 0 344.415 2.021 20 5 EEBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000265297451 247380913 /nfs/dbraw/zinc/38/09/13/247380913.db2.gz NWFHJYNGHMGMJY-UHFFFAOYSA-N 1 0 344.371 2.015 20 5 EEBDRO Cc1ccnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1[N+](=O)[O-] ZINC000265459883 247523788 /nfs/dbraw/zinc/52/37/88/247523788.db2.gz MYMSRBZLJCIBMF-SNVBAGLBSA-N 1 0 334.405 2.045 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000171980269 206776738 /nfs/dbraw/zinc/77/67/38/206776738.db2.gz RMIPVUKELUVHDE-UHFFFAOYSA-N 1 0 326.372 2.168 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175390288 207121616 /nfs/dbraw/zinc/12/16/16/207121616.db2.gz ZOWFGZAKHKJMTD-CQSZACIVSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177315443 207320847 /nfs/dbraw/zinc/32/08/47/207320847.db2.gz LZQQUMOWGLAUEI-WBVHZDCISA-N 1 0 346.431 2.116 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000177474499 207342806 /nfs/dbraw/zinc/34/28/06/207342806.db2.gz ABFUMECSIZVIJO-UONOGXRCSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268877953 252325754 /nfs/dbraw/zinc/32/57/54/252325754.db2.gz QXJPMUQJKIUCSJ-ZDUSSCGKSA-N 1 0 345.403 2.497 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1NCCN1CCC([NH+](C)C)CC1 ZINC000267229300 256040279 /nfs/dbraw/zinc/04/02/79/256040279.db2.gz VFHIQRUNPUSSPH-UHFFFAOYSA-N 1 0 336.436 2.179 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267708581 256080661 /nfs/dbraw/zinc/08/06/61/256080661.db2.gz VXZKCYHSOJLBIS-UHFFFAOYSA-N 1 0 333.388 2.096 20 5 EEBDRO Cc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000270490192 256140829 /nfs/dbraw/zinc/14/08/29/256140829.db2.gz RFHMDOIOBGIUBX-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270731117 256165711 /nfs/dbraw/zinc/16/57/11/256165711.db2.gz NOAXERRKHIMMNI-SNVBAGLBSA-N 1 0 329.784 2.280 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000273096901 256264702 /nfs/dbraw/zinc/26/47/02/256264702.db2.gz UUBOUAOSPIPOPW-IRXDYDNUSA-N 1 0 333.388 2.389 20 5 EEBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265311 256368956 /nfs/dbraw/zinc/36/89/56/256368956.db2.gz YIYFMBCPMTYPIS-RHSMWYFYSA-N 1 0 340.420 2.390 20 5 EEBDRO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000340157334 296505899 /nfs/dbraw/zinc/50/58/99/296505899.db2.gz ROYGLANWRPTXLS-CZUORRHYSA-N 1 0 334.420 2.373 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cn1cccn1 ZINC000337902402 140917018 /nfs/dbraw/zinc/91/70/18/140917018.db2.gz RIQTXRXCOCHMEF-CHWSQXEVSA-N 1 0 331.376 2.187 20 5 EEBDRO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)C[NH+](C)C ZINC000182157193 143858284 /nfs/dbraw/zinc/85/82/84/143858284.db2.gz FUCNXPSMASVLTG-JTQLQIEISA-N 1 0 337.376 2.030 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054511752 292140043 /nfs/dbraw/zinc/14/00/43/292140043.db2.gz ZTILKSAIWAUONE-AWEZNQCLSA-N 1 0 334.420 2.468 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065534396 292155388 /nfs/dbraw/zinc/15/53/88/292155388.db2.gz QAZUVOFGAYBGPK-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000076925541 292186932 /nfs/dbraw/zinc/18/69/32/292186932.db2.gz YMHXRXCPDWZOMQ-MRXNPFEDSA-N 1 0 332.404 2.239 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000090882360 292220427 /nfs/dbraw/zinc/22/04/27/292220427.db2.gz NBZCHTJIZSZINZ-GFCCVEGCSA-N 1 0 326.418 2.379 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccn1C1CC[NH2+]CC1 ZINC000327560272 160545256 /nfs/dbraw/zinc/54/52/56/160545256.db2.gz DVRJLBXRTLZYSW-UHFFFAOYSA-N 1 0 342.399 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075777477 159076943 /nfs/dbraw/zinc/07/69/43/159076943.db2.gz VTKPOTWVUVBUKR-IBGZPJMESA-N 1 0 341.411 2.104 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000081997274 159159487 /nfs/dbraw/zinc/15/94/87/159159487.db2.gz KHHCBFVWRPYPQG-UHFFFAOYSA-N 1 0 349.431 2.143 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104771483 159290625 /nfs/dbraw/zinc/29/06/25/159290625.db2.gz LMUQZUFMRKCYGD-UHFFFAOYSA-N 1 0 338.408 2.417 20 5 EEBDRO CSCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342297776 161054654 /nfs/dbraw/zinc/05/46/54/161054654.db2.gz UDIIAJASFZJSDY-ZDUSSCGKSA-N 1 0 325.434 2.203 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@H]1C ZINC000342850816 161095702 /nfs/dbraw/zinc/09/57/02/161095702.db2.gz CBAUJZLYYJOQPV-GHMZBOCLSA-N 1 0 338.383 2.309 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000343063294 161099424 /nfs/dbraw/zinc/09/94/24/161099424.db2.gz WYTQRODPDNMYNQ-UHFFFAOYSA-N 1 0 344.371 2.111 20 5 EEBDRO CS[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000343634103 161153181 /nfs/dbraw/zinc/15/31/81/161153181.db2.gz GALIGUHEPULRTD-CVEARBPZSA-N 1 0 339.461 2.341 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343803974 161169855 /nfs/dbraw/zinc/16/98/55/161169855.db2.gz WEHNNHIPRBFLNO-XPTSAGLGSA-N 1 0 327.331 2.014 20 5 EEBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000344359083 161219986 /nfs/dbraw/zinc/21/99/86/161219986.db2.gz XLYHLMFAUNPEHZ-ZIAGYGMSSA-N 1 0 334.420 2.386 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000344896183 161254524 /nfs/dbraw/zinc/25/45/24/161254524.db2.gz VQDWYFNTCOREAD-UHFFFAOYSA-N 1 0 332.404 2.350 20 5 EEBDRO Cn1cnc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000344920375 161256206 /nfs/dbraw/zinc/25/62/06/161256206.db2.gz PLWWRGMIFCKVCM-UHFFFAOYSA-N 1 0 327.344 2.316 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352500631 162159964 /nfs/dbraw/zinc/15/99/64/162159964.db2.gz PUQOZSSLTLTJKJ-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000352584477 162199693 /nfs/dbraw/zinc/19/96/93/162199693.db2.gz UEUJDFQLOPSAGL-LLVKDONJSA-N 1 0 331.376 2.177 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000352622148 162215007 /nfs/dbraw/zinc/21/50/07/162215007.db2.gz XXRPDWPLGYEPMQ-HNNXBMFYSA-N 1 0 335.404 2.373 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352659158 162231394 /nfs/dbraw/zinc/23/13/94/162231394.db2.gz LXBVJAYZMWGCTE-AAEUAGOBSA-N 1 0 327.768 2.032 20 5 EEBDRO Cn1cc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353670627 162647651 /nfs/dbraw/zinc/64/76/51/162647651.db2.gz IGTWPGBBKNQUEG-YOEHRIQHSA-N 1 0 341.415 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353688359 162653785 /nfs/dbraw/zinc/65/37/85/162653785.db2.gz ODOUEOIZXGKCRY-GWCFXTLKSA-N 1 0 327.331 2.380 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000354354858 162840316 /nfs/dbraw/zinc/84/03/16/162840316.db2.gz RNPGPXVJUJACQE-OCCSQVGLSA-N 1 0 334.420 2.263 20 5 EEBDRO O=C(c1ccc2c[nH+]cn2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000355179882 163103662 /nfs/dbraw/zinc/10/36/62/163103662.db2.gz WCODGUTYKURGHR-UHFFFAOYSA-N 1 0 338.323 2.146 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000355342439 163152981 /nfs/dbraw/zinc/15/29/81/163152981.db2.gz XJXKZJRMEQEMRC-UHFFFAOYSA-N 1 0 332.404 2.165 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359622767 164139120 /nfs/dbraw/zinc/13/91/20/164139120.db2.gz HYIVTLLSRODOPI-GFCCVEGCSA-N 1 0 335.404 2.483 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368238755 166074673 /nfs/dbraw/zinc/07/46/73/166074673.db2.gz CHJFJOHUAKMSJZ-UGUYLWEFSA-N 1 0 336.436 2.443 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000369785051 166329874 /nfs/dbraw/zinc/32/98/74/166329874.db2.gz UMIRCMVTYWEMAZ-PBHICJAKSA-N 1 0 347.415 2.225 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369793242 166332079 /nfs/dbraw/zinc/33/20/79/166332079.db2.gz KINHYWSYGCMKSG-LSDHHAIUSA-N 1 0 332.404 2.063 20 5 EEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237885298 268664697 /nfs/dbraw/zinc/66/46/97/268664697.db2.gz YTDQPIMHVFFBHS-LQDVMPOASA-N 1 0 332.404 2.044 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+](C)C ZINC000274835042 269060676 /nfs/dbraw/zinc/06/06/76/269060676.db2.gz SDDZTXBMSZAVND-UONOGXRCSA-N 1 0 338.433 2.413 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000282882612 269520355 /nfs/dbraw/zinc/52/03/55/269520355.db2.gz RHIMRILIVIKAIR-IUODEOHRSA-N 1 0 335.404 2.452 20 5 EEBDRO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285709342 274779092 /nfs/dbraw/zinc/77/90/92/274779092.db2.gz HWCBGFAVEPYLEB-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286145644 274841668 /nfs/dbraw/zinc/84/16/68/274841668.db2.gz PRTMWYHJEAJYAP-CYBMUJFWSA-N 1 0 343.387 2.124 20 5 EEBDRO [NH3+][C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349070 274956322 /nfs/dbraw/zinc/95/63/22/274956322.db2.gz IEDYZALLAOYKLX-SECBINFHSA-N 1 0 347.156 2.127 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288067874 275020163 /nfs/dbraw/zinc/02/01/63/275020163.db2.gz VEHSDORXLNKRGX-UHFFFAOYSA-N 1 0 331.376 2.022 20 5 EEBDRO C[NH+](C)CCCOc1cnccc1CNc1ncc([N+](=O)[O-])s1 ZINC000288185777 275033031 /nfs/dbraw/zinc/03/30/31/275033031.db2.gz JKRPXSMYOCVLLX-UHFFFAOYSA-N 1 0 337.405 2.389 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H](CO)Cc2ccccc2)n1 ZINC000447593591 275040599 /nfs/dbraw/zinc/04/05/99/275040599.db2.gz TWFFKYXJICXCPA-BBWFWOEESA-N 1 0 344.415 2.468 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582889 275072507 /nfs/dbraw/zinc/07/25/07/275072507.db2.gz XOWRMMNVTBARAK-AAEUAGOBSA-N 1 0 343.387 2.170 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000288750135 275083732 /nfs/dbraw/zinc/08/37/32/275083732.db2.gz HYVSUMXVTCPETK-HNNXBMFYSA-N 1 0 332.356 2.376 20 5 EEBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289500528 275122161 /nfs/dbraw/zinc/12/21/61/275122161.db2.gz KUIYTCQNUXLIDZ-AWEZNQCLSA-N 1 0 341.795 2.327 20 5 EEBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000291060751 275266066 /nfs/dbraw/zinc/26/60/66/275266066.db2.gz PGDUODALFMSTAD-UHFFFAOYSA-N 1 0 325.319 2.231 20 5 EEBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CC[NH+](C)CC1 ZINC000291359673 275297942 /nfs/dbraw/zinc/29/79/42/275297942.db2.gz BFPRWYPFBIVYDY-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000291683765 275329716 /nfs/dbraw/zinc/32/97/16/275329716.db2.gz ZPFWJBPNHJXLMO-LLVKDONJSA-N 1 0 325.413 2.292 20 5 EEBDRO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519115 276087285 /nfs/dbraw/zinc/08/72/85/276087285.db2.gz QCOQFBWCFSYXRK-JEYLPNPQSA-N 1 0 349.431 2.443 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194737523 277064209 /nfs/dbraw/zinc/06/42/09/277064209.db2.gz ISDSMXNZEMPYGT-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000296668106 294035548 /nfs/dbraw/zinc/03/55/48/294035548.db2.gz ZCKGPASCPHPIPH-UHFFFAOYSA-N 1 0 335.404 2.088 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000297667654 294310723 /nfs/dbraw/zinc/31/07/23/294310723.db2.gz ZQDZBCRFDNJZRZ-GJZGRUSLSA-N 1 0 347.415 2.231 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000236263314 295240488 /nfs/dbraw/zinc/24/04/88/295240488.db2.gz DGOUGSLWNPYCNH-SECBINFHSA-N 1 0 329.198 2.318 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237840266 295273424 /nfs/dbraw/zinc/27/34/24/295273424.db2.gz YUFNMNIWFCJMRJ-ZIAGYGMSSA-N 1 0 332.404 2.052 20 5 EEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000332405732 312002071 /nfs/dbraw/zinc/00/20/71/312002071.db2.gz BQYOKPNMKXLTHT-ZFWWWQNUSA-N 1 0 346.431 2.393 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332511031 312017617 /nfs/dbraw/zinc/01/76/17/312017617.db2.gz UWBOGXDQGVIJTL-HUUCEWRRSA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000332580472 312028542 /nfs/dbraw/zinc/02/85/42/312028542.db2.gz HTOJNPZYABJIHN-ZIAGYGMSSA-N 1 0 332.404 2.010 20 5 EEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000332686256 312045273 /nfs/dbraw/zinc/04/52/73/312045273.db2.gz VOCHQIXXOTWESR-QWRGUYRKSA-N 1 0 339.342 2.111 20 5 EEBDRO CCCOc1cc(NC(=O)NCC[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000414784755 313088191 /nfs/dbraw/zinc/08/81/91/313088191.db2.gz LEXIQEBGUOHMLD-UHFFFAOYSA-N 1 0 340.380 2.253 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414952421 313114266 /nfs/dbraw/zinc/11/42/66/313114266.db2.gz QRUVETUFAWAYJD-VIFPVBQESA-N 1 0 344.318 2.269 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415661348 313163998 /nfs/dbraw/zinc/16/39/98/313163998.db2.gz QMOBAABDLGRIED-RYUDHWBXSA-N 1 0 334.376 2.067 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000417719810 313575927 /nfs/dbraw/zinc/57/59/27/313575927.db2.gz QPEXUPVJPVDEJW-ZIAGYGMSSA-N 1 0 349.435 2.097 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417731636 313579210 /nfs/dbraw/zinc/57/92/10/313579210.db2.gz RUCMKVQJYSYHAG-DZGCQCFKSA-N 1 0 334.420 2.357 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434704762 314859467 /nfs/dbraw/zinc/85/94/67/314859467.db2.gz ZHDIUWMSSOSAPS-VWYCJHECSA-N 1 0 341.795 2.224 20 5 EEBDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435394573 314900308 /nfs/dbraw/zinc/90/03/08/314900308.db2.gz OBDSMZMFKHXKJB-LLVKDONJSA-N 1 0 345.346 2.041 20 5 EEBDRO C[C@H]1[NH2+]CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000436060170 314938832 /nfs/dbraw/zinc/93/88/32/314938832.db2.gz DAEOHMBYNBBIGR-CHWSQXEVSA-N 1 0 330.388 2.475 20 5 EEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000444270109 315286571 /nfs/dbraw/zinc/28/65/71/315286571.db2.gz YMHUHDLJGGCADR-UHFFFAOYSA-N 1 0 337.424 2.217 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000520799072 316879613 /nfs/dbraw/zinc/87/96/13/316879613.db2.gz FBTKZRDUTIBDHB-XJKSGUPXSA-N 1 0 348.330 2.197 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000525804116 317078526 /nfs/dbraw/zinc/07/85/26/317078526.db2.gz JBVDDFIJWLUKFT-CYBMUJFWSA-N 1 0 330.388 2.008 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](COC)C(C)C)c([N+](=O)[O-])c1 ZINC000541595212 318103333 /nfs/dbraw/zinc/10/33/33/318103333.db2.gz MZRHHJPOTDGFAW-CQSZACIVSA-N 1 0 339.392 2.193 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cnnc2CC)cc1[N+](=O)[O-] ZINC000545972045 318236833 /nfs/dbraw/zinc/23/68/33/318236833.db2.gz KEWOYPXIDYUZTO-LBPRGKRZSA-N 1 0 333.392 2.498 20 5 EEBDRO C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000548090598 318353800 /nfs/dbraw/zinc/35/38/00/318353800.db2.gz DHYWNTGWBPTQCX-ZDUSSCGKSA-N 1 0 343.387 2.055 20 5 EEBDRO COc1ccc(CC(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000560455859 318791166 /nfs/dbraw/zinc/79/11/66/318791166.db2.gz QSQAWIDEIDOHCU-UHFFFAOYSA-N 1 0 337.420 2.383 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566248376 319264810 /nfs/dbraw/zinc/26/48/10/319264810.db2.gz BPEAKPUPZJQWDR-UONOGXRCSA-N 1 0 346.431 2.007 20 5 EEBDRO Cc1ccc(NC(=O)CC[NH2+]CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000567686149 319405073 /nfs/dbraw/zinc/40/50/73/319405073.db2.gz YTHZKONZRLCHGF-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000571688594 319778176 /nfs/dbraw/zinc/77/81/76/319778176.db2.gz XESSEBNXMFPXPG-RISCZKNCSA-N 1 0 339.392 2.191 20 5 EEBDRO C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]C1 ZINC000571777575 319786653 /nfs/dbraw/zinc/78/66/53/319786653.db2.gz YRGMRHMLPJLETM-STQMWFEESA-N 1 0 332.404 2.051 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000572842712 319882414 /nfs/dbraw/zinc/88/24/14/319882414.db2.gz UTMKAWXOECRPOD-OAHLLOKOSA-N 1 0 346.431 2.022 20 5 EEBDRO CC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000574698253 320048988 /nfs/dbraw/zinc/04/89/88/320048988.db2.gz JZVCCAWAJKOFFQ-UHFFFAOYSA-N 1 0 342.403 2.330 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000576185253 320148658 /nfs/dbraw/zinc/14/86/58/320148658.db2.gz NEASTGCALDAQIT-INIZCTEOSA-N 1 0 335.404 2.088 20 5 EEBDRO CCC(C)(C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576436313 320171094 /nfs/dbraw/zinc/17/10/94/320171094.db2.gz BSIFWSUSWPCGOM-LBPRGKRZSA-N 1 0 343.449 2.287 20 5 EEBDRO CC(C)[NH2+]CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000578004894 320288184 /nfs/dbraw/zinc/28/81/84/320288184.db2.gz HGAWKGLVHXSQTA-INIZCTEOSA-N 1 0 331.420 2.395 20 5 EEBDRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181827364 323357586 /nfs/dbraw/zinc/35/75/86/323357586.db2.gz QNQJNXSBKAOCOF-GFCCVEGCSA-N 1 0 336.392 2.180 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1SC ZINC000578758864 323701892 /nfs/dbraw/zinc/70/18/92/323701892.db2.gz CQUOBXVLCARVND-ZDUSSCGKSA-N 1 0 341.433 2.429 20 5 EEBDRO CN(CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000581039961 324172535 /nfs/dbraw/zinc/17/25/35/324172535.db2.gz YPSPVRFGCLRBCE-UHFFFAOYSA-N 1 0 331.420 2.379 20 5 EEBDRO CNc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000581684661 324302888 /nfs/dbraw/zinc/30/28/88/324302888.db2.gz XGBTTYXPOYHYQK-HEHGZKQESA-N 1 0 346.431 2.439 20 5 EEBDRO COc1ccc(CSCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582123168 324385612 /nfs/dbraw/zinc/38/56/12/324385612.db2.gz LCXSPYJZWDJEAP-MNOVXSKESA-N 1 0 341.433 2.079 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255068641 465024897 /nfs/dbraw/zinc/02/48/97/465024897.db2.gz ABUBUJRDFGTAKI-SREVYHEPSA-N 1 0 347.415 2.225 20 5 EEBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000326865568 465045524 /nfs/dbraw/zinc/04/55/24/465045524.db2.gz SXSAMFWNSZYZAC-MRXNPFEDSA-N 1 0 349.412 2.353 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000347493622 465055389 /nfs/dbraw/zinc/05/53/89/465055389.db2.gz HHAGVKRBNAIEKD-ZDUSSCGKSA-N 1 0 346.431 2.313 20 5 EEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000296247638 465128921 /nfs/dbraw/zinc/12/89/21/465128921.db2.gz NRQHPHCRBNPLAP-GJZGRUSLSA-N 1 0 333.388 2.131 20 5 EEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354757022 465134952 /nfs/dbraw/zinc/13/49/52/465134952.db2.gz OVZDESBPDZVPED-HNNXBMFYSA-N 1 0 345.403 2.204 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351399511 465141938 /nfs/dbraw/zinc/14/19/38/465141938.db2.gz BDJHNLQYDCYODH-CABCVRRESA-N 1 0 333.436 2.350 20 5 EEBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337037932 465160142 /nfs/dbraw/zinc/16/01/42/465160142.db2.gz KGDUMSXZGQANSQ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cn1cc(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000351516873 465195965 /nfs/dbraw/zinc/19/59/65/465195965.db2.gz KOWRJEOOBGVRLN-HUUCEWRRSA-N 1 0 332.408 2.231 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)n1 ZINC000341528877 465216982 /nfs/dbraw/zinc/21/69/82/465216982.db2.gz GENYISKFJOBZSR-NEPJUHHUSA-N 1 0 336.392 2.451 20 5 EEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000339398918 465245926 /nfs/dbraw/zinc/24/59/26/465245926.db2.gz XCABDLHOHOGBPX-JTQLQIEISA-N 1 0 334.332 2.462 20 5 EEBDRO COc1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000341681730 465253147 /nfs/dbraw/zinc/25/31/47/465253147.db2.gz HMLNUMVUTFFQPZ-UHFFFAOYSA-N 1 0 329.356 2.044 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000590638210 468293585 /nfs/dbraw/zinc/29/35/85/468293585.db2.gz BXPRTSNGZRPXCA-JTQLQIEISA-N 1 0 339.367 2.203 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000590661469 468298578 /nfs/dbraw/zinc/29/85/78/468298578.db2.gz UMVRUCFQYOPKOD-CYBMUJFWSA-N 1 0 335.404 2.282 20 5 EEBDRO Cc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000351879660 465413819 /nfs/dbraw/zinc/41/38/19/465413819.db2.gz AXLYYWVIBOZVIE-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000590689597 468306699 /nfs/dbraw/zinc/30/66/99/468306699.db2.gz CBHDFUBPUQJRAJ-AWEZNQCLSA-N 1 0 333.388 2.207 20 5 EEBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2C1 ZINC000128506785 462645692 /nfs/dbraw/zinc/64/56/92/462645692.db2.gz MJKOFGXIAREBBJ-UHFFFAOYSA-N 1 0 343.387 2.402 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047139861 462746779 /nfs/dbraw/zinc/74/67/79/462746779.db2.gz CRQYPWUPNGTHNU-UHFFFAOYSA-N 1 0 346.431 2.411 20 5 EEBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075743282 462755987 /nfs/dbraw/zinc/75/59/87/462755987.db2.gz ISBKHRBWPZVIRV-AEFFLSMTSA-N 1 0 344.415 2.168 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007123 462764660 /nfs/dbraw/zinc/76/46/60/462764660.db2.gz LITPPHYFAZSXST-OAHLLOKOSA-N 1 0 349.387 2.043 20 5 EEBDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075861740 462766798 /nfs/dbraw/zinc/76/67/98/462766798.db2.gz LZLLRAABJAQQIK-KRWDZBQOSA-N 1 0 346.431 2.370 20 5 EEBDRO C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008269885 462775956 /nfs/dbraw/zinc/77/59/56/462775956.db2.gz FWCKMAHZFQNHPP-QWHCGFSZSA-N 1 0 341.433 2.041 20 5 EEBDRO CC(C)C(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534577 462792191 /nfs/dbraw/zinc/79/21/91/462792191.db2.gz VDIZJMNWZPLWQI-UHFFFAOYSA-N 1 0 335.404 2.210 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047671893 462812434 /nfs/dbraw/zinc/81/24/34/462812434.db2.gz YZNKOZADAZXFQC-UHFFFAOYSA-N 1 0 349.435 2.085 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155133017 462852406 /nfs/dbraw/zinc/85/24/06/462852406.db2.gz RQUSIIMCTNLSTH-UHFFFAOYSA-N 1 0 345.197 2.383 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118825929 462855326 /nfs/dbraw/zinc/85/53/26/462855326.db2.gz AXUUYYORIFTRGE-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC000091481612 462882862 /nfs/dbraw/zinc/88/28/62/462882862.db2.gz BWLOUTCUTQRKQL-HNNXBMFYSA-N 1 0 334.376 2.304 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000155530436 462904086 /nfs/dbraw/zinc/90/40/86/462904086.db2.gz FIXDXNRVZSXDEN-CZUORRHYSA-N 1 0 333.388 2.424 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119618551 462916786 /nfs/dbraw/zinc/91/67/86/462916786.db2.gz AVVIGPXINQZJSR-HNNXBMFYSA-N 1 0 349.431 2.458 20 5 EEBDRO COc1cc(C[NH2+]CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000067697277 463038502 /nfs/dbraw/zinc/03/85/02/463038502.db2.gz LBDCODXIBYABOA-UHFFFAOYSA-N 1 0 338.282 2.017 20 5 EEBDRO CC[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1 ZINC000134522955 463050699 /nfs/dbraw/zinc/05/06/99/463050699.db2.gz IAYILBNQXZEFQM-SFHVURJKSA-N 1 0 347.415 2.497 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000067806721 463053263 /nfs/dbraw/zinc/05/32/63/463053263.db2.gz XDBBIMOHHFUBLB-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000077966135 463075257 /nfs/dbraw/zinc/07/52/57/463075257.db2.gz NFOOILSWZDOCOB-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000078494572 463122653 /nfs/dbraw/zinc/12/26/53/463122653.db2.gz JYFKXRKOGNTMLD-GOSISDBHSA-N 1 0 327.384 2.426 20 5 EEBDRO CN(CCCn1ccnc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124371767 463415101 /nfs/dbraw/zinc/41/51/01/463415101.db2.gz YIVCSZMTCAXALD-UHFFFAOYSA-N 1 0 342.359 2.363 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000124864858 463473658 /nfs/dbraw/zinc/47/36/58/463473658.db2.gz UHLMPLHIBFDHET-QGZVFWFLSA-N 1 0 343.383 2.394 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCCC[C@H]1C ZINC000351891656 465421716 /nfs/dbraw/zinc/42/17/16/465421716.db2.gz YHXUCSXJSCSBHT-VXGBXAGGSA-N 1 0 349.387 2.316 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125296492 463527700 /nfs/dbraw/zinc/52/77/00/463527700.db2.gz FNPPYWLSBYAOKG-UHFFFAOYSA-N 1 0 328.372 2.191 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000109317209 463638372 /nfs/dbraw/zinc/63/83/72/463638372.db2.gz OKRRRRXUPMGCNU-AWEZNQCLSA-N 1 0 332.360 2.262 20 5 EEBDRO Cc1nnc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268412732 463734500 /nfs/dbraw/zinc/73/45/00/463734500.db2.gz AZYOKPSYTDEMDI-ZDUSSCGKSA-N 1 0 331.376 2.280 20 5 EEBDRO CCc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268447175 463747888 /nfs/dbraw/zinc/74/78/88/463747888.db2.gz HPSKDJXSGCAPKZ-UHFFFAOYSA-N 1 0 349.431 2.122 20 5 EEBDRO Cn1cc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccc(F)cc2)cn1 ZINC000185419111 463818445 /nfs/dbraw/zinc/81/84/45/463818445.db2.gz VQAOILXEQYEGCN-INIZCTEOSA-N 1 0 344.350 2.043 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261669236 463822517 /nfs/dbraw/zinc/82/25/17/463822517.db2.gz LNKCOFWBWXSICC-KRWDZBQOSA-N 1 0 325.368 2.141 20 5 EEBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000185605653 463849664 /nfs/dbraw/zinc/84/96/64/463849664.db2.gz QKZVGWTYQIGUOV-PWSUYJOCSA-N 1 0 335.360 2.382 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1SC ZINC000171479978 463871562 /nfs/dbraw/zinc/87/15/62/463871562.db2.gz YGSOGDHUUYEVDN-SNVBAGLBSA-N 1 0 339.417 2.149 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277178076 463899128 /nfs/dbraw/zinc/89/91/28/463899128.db2.gz LDFFQGWZPRDVOX-UKRRQHHQSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277178074 463899453 /nfs/dbraw/zinc/89/94/53/463899453.db2.gz LDFFQGWZPRDVOX-HIFRSBDPSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000178568324 463923917 /nfs/dbraw/zinc/92/39/17/463923917.db2.gz MJEYNNXYRQAYHZ-BXUZGUMPSA-N 1 0 327.344 2.022 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262099674 463946644 /nfs/dbraw/zinc/94/66/44/463946644.db2.gz ZFIFHJKTWGRBCK-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000178821825 463983405 /nfs/dbraw/zinc/98/34/05/463983405.db2.gz HBEFOMQSEFYONN-CYBMUJFWSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000269440173 463986048 /nfs/dbraw/zinc/98/60/48/463986048.db2.gz PFQMXVCEWUKRRQ-GFCCVEGCSA-N 1 0 335.408 2.142 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262378597 464014203 /nfs/dbraw/zinc/01/42/03/464014203.db2.gz NJBKYSXBRQMLGG-SNVBAGLBSA-N 1 0 334.401 2.446 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278954044 464014742 /nfs/dbraw/zinc/01/47/42/464014742.db2.gz ZCNSBYDKHPYWDG-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000178952863 464024078 /nfs/dbraw/zinc/02/40/78/464024078.db2.gz FIYKINUQFCJENM-AWEZNQCLSA-N 1 0 346.431 2.315 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000178980213 464029949 /nfs/dbraw/zinc/02/99/49/464029949.db2.gz KMJOWMNNFYTGPO-IAQYHMDHSA-N 1 0 341.433 2.089 20 5 EEBDRO Cn1cc([C@@H](O)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279126099 464040108 /nfs/dbraw/zinc/04/01/08/464040108.db2.gz QQAZKPGKPQXYNE-CVEARBPZSA-N 1 0 330.388 2.374 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284245911 464123532 /nfs/dbraw/zinc/12/35/32/464123532.db2.gz CKMATQGDHXOXNE-JTQLQIEISA-N 1 0 338.383 2.118 20 5 EEBDRO CC(C)(C(=O)NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000279761858 464145010 /nfs/dbraw/zinc/14/50/10/464145010.db2.gz AMEPJADIKBQRNR-UHFFFAOYSA-N 1 0 335.379 2.390 20 5 EEBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000227055304 464187285 /nfs/dbraw/zinc/18/72/85/464187285.db2.gz ZFLZCMAVFHZHIF-UHFFFAOYSA-N 1 0 330.182 2.101 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188450744 464283713 /nfs/dbraw/zinc/28/37/13/464283713.db2.gz DSVGGOKMSXQNPD-CQSZACIVSA-N 1 0 335.404 2.468 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000173617429 464294670 /nfs/dbraw/zinc/29/46/70/464294670.db2.gz AXMVAHJILGQMEC-CYBMUJFWSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292776297 464338617 /nfs/dbraw/zinc/33/86/17/464338617.db2.gz VZTBCWWMMJCFHX-SECBINFHSA-N 1 0 349.840 2.033 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[NH2+]1 ZINC000237646804 464358384 /nfs/dbraw/zinc/35/83/84/464358384.db2.gz UJHOGZVNTGVJJD-IUCAKERBSA-N 1 0 342.193 2.180 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292842179 464361114 /nfs/dbraw/zinc/36/11/14/464361114.db2.gz BGBXJPCYWWNNHX-KSSFIOAISA-N 1 0 346.431 2.340 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000264652216 464408880 /nfs/dbraw/zinc/40/88/80/464408880.db2.gz JEZFCPICNQQDIC-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181290162 464467773 /nfs/dbraw/zinc/46/77/73/464467773.db2.gz YWYMDBXYHRYJQM-NSHDSACASA-N 1 0 330.344 2.288 20 5 EEBDRO COc1cc(C(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000294416138 464493629 /nfs/dbraw/zinc/49/36/29/464493629.db2.gz PMDMBNFGIYXNCW-UHFFFAOYSA-N 1 0 339.367 2.348 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000272190809 464511873 /nfs/dbraw/zinc/51/18/73/464511873.db2.gz MIXYRZCDGHENOO-BZNIZROVSA-N 1 0 330.388 2.010 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208101 464518699 /nfs/dbraw/zinc/51/86/99/464518699.db2.gz PTRNUODGJDRUNL-YVEFUNNKSA-N 1 0 344.415 2.017 20 5 EEBDRO CC(=O)N1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000182216282 464602809 /nfs/dbraw/zinc/60/28/09/464602809.db2.gz DEWKOQJVERBFKW-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000285569896 464613477 /nfs/dbraw/zinc/61/34/77/464613477.db2.gz SIXTYYRYIZPQJU-HNNXBMFYSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@H]1CSCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000190397260 464635760 /nfs/dbraw/zinc/63/57/60/464635760.db2.gz LTZCIUQGVYCFRP-OLZOCXBDSA-N 1 0 326.418 2.019 20 5 EEBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247458804 464681553 /nfs/dbraw/zinc/68/15/53/464681553.db2.gz IDSNDDFOHSHQMY-DOTOQJQBSA-N 1 0 332.404 2.105 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000568988351 468419486 /nfs/dbraw/zinc/41/94/86/468419486.db2.gz QORCQAPNZOMDQF-NXEZZACHSA-N 1 0 329.784 2.259 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182643043 464700693 /nfs/dbraw/zinc/70/06/93/464700693.db2.gz RFRQABWOUPOGFI-GFCCVEGCSA-N 1 0 345.403 2.131 20 5 EEBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295151633 464724676 /nfs/dbraw/zinc/72/46/76/464724676.db2.gz MBARYDSFXGIZOI-VIFPVBQESA-N 1 0 329.784 2.278 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000285974107 464760795 /nfs/dbraw/zinc/76/07/95/464760795.db2.gz BLEODSCHDBZDCO-NWDGAFQWSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1cnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000266181139 464767948 /nfs/dbraw/zinc/76/79/48/464767948.db2.gz CDCARAQRBGABLW-HOTGVXAUSA-N 1 0 347.463 2.293 20 5 EEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183015693 464777915 /nfs/dbraw/zinc/77/79/15/464777915.db2.gz DQXROKRLGZFLHB-INIZCTEOSA-N 1 0 349.412 2.483 20 5 EEBDRO C[C@@H](CCNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183173635 464814567 /nfs/dbraw/zinc/81/45/67/464814567.db2.gz RARWONXVSHBELX-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1cc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000266860166 464848770 /nfs/dbraw/zinc/84/87/70/464848770.db2.gz WJFGXFBFKBZBHW-HZPDHXFCSA-N 1 0 347.463 2.293 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1C ZINC000192029830 464852144 /nfs/dbraw/zinc/85/21/44/464852144.db2.gz ZIQVZSAATQPAQK-CQSZACIVSA-N 1 0 341.433 2.007 20 5 EEBDRO COCC[NH+](CCOC)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286317106 464877690 /nfs/dbraw/zinc/87/76/90/464877690.db2.gz JKXKQRIFAYZBAV-UHFFFAOYSA-N 1 0 337.420 2.158 20 5 EEBDRO Nc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176950589 464893006 /nfs/dbraw/zinc/89/30/06/464893006.db2.gz JHQLOMDRZPERFF-CYBMUJFWSA-N 1 0 332.404 2.171 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286398948 464904374 /nfs/dbraw/zinc/90/43/74/464904374.db2.gz HIOXWGGGUYECEG-FPMFFAJLSA-N 1 0 348.321 2.121 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000286516721 464945625 /nfs/dbraw/zinc/94/56/25/464945625.db2.gz BBUYFVNQFZIUFF-GDBMZVCRSA-N 1 0 346.431 2.406 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286642794 464989664 /nfs/dbraw/zinc/98/96/64/464989664.db2.gz TXASXOAJFUTGOB-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985638 468428912 /nfs/dbraw/zinc/42/89/12/468428912.db2.gz IFANOYWGVUUUPY-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000286705062 465010861 /nfs/dbraw/zinc/01/08/61/465010861.db2.gz AGYMJZJUFYINGR-GFCCVEGCSA-N 1 0 345.407 2.117 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000347935198 465318717 /nfs/dbraw/zinc/31/87/17/465318717.db2.gz ZVJDSFGTFNZRTH-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000342639709 465335382 /nfs/dbraw/zinc/33/53/82/465335382.db2.gz OKHZRLIQFKNQGD-INIZCTEOSA-N 1 0 345.399 2.030 20 5 EEBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000358815165 465337825 /nfs/dbraw/zinc/33/78/25/465337825.db2.gz VSUSKXVMECYSTJ-GFCCVEGCSA-N 1 0 329.784 2.183 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359026039 465371680 /nfs/dbraw/zinc/37/16/80/465371680.db2.gz LPCGCELPHZSLLI-UONOGXRCSA-N 1 0 349.435 2.434 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356919774 465628325 /nfs/dbraw/zinc/62/83/25/465628325.db2.gz ODAWLLGHZVZJLF-OAHLLOKOSA-N 1 0 341.415 2.322 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000344538806 465654690 /nfs/dbraw/zinc/65/46/90/465654690.db2.gz YBSQDVVDSNLKCW-CYBMUJFWSA-N 1 0 333.388 2.025 20 5 EEBDRO Cc1c(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591311057 468445082 /nfs/dbraw/zinc/44/50/82/468445082.db2.gz KMVBCIRWIBLRIW-UHFFFAOYSA-N 1 0 341.371 2.266 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356980240 465675493 /nfs/dbraw/zinc/67/54/93/465675493.db2.gz OTWVWEMDIPWESO-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000371275990 465682242 /nfs/dbraw/zinc/68/22/42/465682242.db2.gz RKOCCRDZRAEDDO-KGLIPLIRSA-N 1 0 331.397 2.484 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000330506457 465686305 /nfs/dbraw/zinc/68/63/05/465686305.db2.gz HIUAOVFVJWPTRE-SNVBAGLBSA-N 1 0 344.209 2.393 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000554859411 468447042 /nfs/dbraw/zinc/44/70/42/468447042.db2.gz KFOLWBPYAANUHT-STQMWFEESA-N 1 0 335.408 2.045 20 5 EEBDRO Cn1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000330573859 465712836 /nfs/dbraw/zinc/71/28/36/465712836.db2.gz OBWWIDJHSOLVSY-UHFFFAOYSA-N 1 0 334.420 2.271 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000361049894 465730061 /nfs/dbraw/zinc/73/00/61/465730061.db2.gz SSXRFIYIUFPEDO-UHFFFAOYSA-N 1 0 346.774 2.470 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000580011020 468450458 /nfs/dbraw/zinc/45/04/58/468450458.db2.gz UDAXVAUZEBONKP-NVXWUHKLSA-N 1 0 331.372 2.470 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000366813373 465948783 /nfs/dbraw/zinc/94/87/83/465948783.db2.gz VDDBLOVRBSIHJL-OAHLLOKOSA-N 1 0 347.415 2.369 20 5 EEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548741866 468464405 /nfs/dbraw/zinc/46/44/05/468464405.db2.gz LYTBQVQKFOOPFO-UHFFFAOYSA-N 1 0 345.403 2.302 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230212 466011149 /nfs/dbraw/zinc/01/11/49/466011149.db2.gz MEUSEROJOBDWHB-OGHNNQOOSA-N 1 0 349.406 2.465 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000349200159 466017443 /nfs/dbraw/zinc/01/74/43/466017443.db2.gz GVEZXZFGGONAMT-KBPBESRZSA-N 1 0 337.420 2.365 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000349261918 466043970 /nfs/dbraw/zinc/04/39/70/466043970.db2.gz ANYRYPUXWFOLBI-INIZCTEOSA-N 1 0 349.431 2.097 20 5 EEBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301898684 466057030 /nfs/dbraw/zinc/05/70/30/466057030.db2.gz SKHHDPVLAIZKSD-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000346340294 466086657 /nfs/dbraw/zinc/08/66/57/466086657.db2.gz BTLQOFSGRVJSDS-UHFFFAOYSA-N 1 0 337.424 2.149 20 5 EEBDRO COc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000372444230 466387211 /nfs/dbraw/zinc/38/72/11/466387211.db2.gz CNPGJXKBXXPIMO-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c[nH+]cn4c3)n2)n1C ZINC000347159951 466441093 /nfs/dbraw/zinc/44/10/93/466441093.db2.gz OHKVDMVMXVOIMY-UHFFFAOYSA-N 1 0 325.288 2.001 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000358150397 466496090 /nfs/dbraw/zinc/49/60/90/466496090.db2.gz MZYWVOXEIJOWDJ-NWDGAFQWSA-N 1 0 336.392 2.451 20 5 EEBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313377113 466538819 /nfs/dbraw/zinc/53/88/19/466538819.db2.gz MTTKPRFWYFLVAZ-MRXNPFEDSA-N 1 0 341.367 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000347350150 466584830 /nfs/dbraw/zinc/58/48/30/466584830.db2.gz MBBUOLAIOHSMTH-OAHLLOKOSA-N 1 0 325.340 2.366 20 5 EEBDRO CCOc1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000372812141 466599845 /nfs/dbraw/zinc/59/98/45/466599845.db2.gz OSBZZGYSPTZXOT-UHFFFAOYSA-N 1 0 331.376 2.491 20 5 EEBDRO CO[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000374644441 466703635 /nfs/dbraw/zinc/70/36/35/466703635.db2.gz HCFABYTXBXWFHZ-HOTGVXAUSA-N 1 0 333.388 2.201 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000374796344 466746183 /nfs/dbraw/zinc/74/61/83/466746183.db2.gz UXNKYPNARQWONI-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN)C1CCCC1 ZINC000423505037 466760171 /nfs/dbraw/zinc/76/01/71/466760171.db2.gz HAKMVAPUEHXRMN-BLLLJJGKSA-N 1 0 334.420 2.419 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238683 466812379 /nfs/dbraw/zinc/81/23/79/466812379.db2.gz YSZHFJNTZLDOSA-OAHLLOKOSA-N 1 0 334.420 2.215 20 5 EEBDRO C[C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000423728718 466815924 /nfs/dbraw/zinc/81/59/24/466815924.db2.gz UAERHBAXSQZLJT-WDEREUQCSA-N 1 0 331.376 2.435 20 5 EEBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411638762 466862082 /nfs/dbraw/zinc/86/20/82/466862082.db2.gz DZENQIKUFWSLAY-UONOGXRCSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000373776131 466916954 /nfs/dbraw/zinc/91/69/54/466916954.db2.gz FQOJEVWHMFCFMQ-CYBMUJFWSA-N 1 0 331.376 2.107 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373790945 466921120 /nfs/dbraw/zinc/92/11/20/466921120.db2.gz PTFOSCTVYTYBCO-KGLIPLIRSA-N 1 0 333.388 2.025 20 5 EEBDRO NC(=O)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411966482 466950282 /nfs/dbraw/zinc/95/02/82/466950282.db2.gz BUSSLWCXHDCXSA-UONOGXRCSA-N 1 0 343.358 2.435 20 5 EEBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1 ZINC000365824619 466952214 /nfs/dbraw/zinc/95/22/14/466952214.db2.gz ZDEYHKNGFBWUPV-UHFFFAOYSA-N 1 0 343.387 2.457 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424034454 466958670 /nfs/dbraw/zinc/95/86/70/466958670.db2.gz CBNVFHJPFUCMCJ-DOTOQJQBSA-N 1 0 343.358 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)[C@@H]3CCCOC3)co2)cc1 ZINC000411998203 466963960 /nfs/dbraw/zinc/96/39/60/466963960.db2.gz VQMMAASILXTKEP-CZUORRHYSA-N 1 0 347.371 2.127 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000370793236 467006491 /nfs/dbraw/zinc/00/64/91/467006491.db2.gz JZHBCHOUPRJVSQ-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000417980580 467009706 /nfs/dbraw/zinc/00/97/06/467009706.db2.gz BGSHZDYKWGSNAY-GWCFXTLKSA-N 1 0 340.811 2.230 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(CC[NH+](C)C)C(C)C)c1F ZINC000412207456 467037885 /nfs/dbraw/zinc/03/78/85/467037885.db2.gz VFKPHDJAXFSHQL-UHFFFAOYSA-N 1 0 341.383 2.084 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377438999 467058394 /nfs/dbraw/zinc/05/83/94/467058394.db2.gz BQWCSKNJUNRLMQ-ZIAGYGMSSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418350327 467096828 /nfs/dbraw/zinc/09/68/28/467096828.db2.gz SRMZRMAMWKEJSS-AWEZNQCLSA-N 1 0 332.404 2.268 20 5 EEBDRO O=C(NC1CC1)c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377639937 467103272 /nfs/dbraw/zinc/10/32/72/467103272.db2.gz LOBIRSCYFHIDLF-OAHLLOKOSA-N 1 0 344.415 2.162 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000378170219 467218443 /nfs/dbraw/zinc/21/84/43/467218443.db2.gz LQVSHKQWNNCFOL-GDBMZVCRSA-N 1 0 339.823 2.279 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C4CCOCC4)CC3)ccnc21 ZINC000432329324 467231328 /nfs/dbraw/zinc/23/13/28/467231328.db2.gz ZQVSLKNHBCMHQV-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420234141 467326609 /nfs/dbraw/zinc/32/66/09/467326609.db2.gz AWUIUEVZHWDVHM-AWEZNQCLSA-N 1 0 341.433 2.188 20 5 EEBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420245308 467329066 /nfs/dbraw/zinc/32/90/66/467329066.db2.gz ZSAFCUMZFCDFLG-ZIAGYGMSSA-N 1 0 327.388 2.464 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334478 467363950 /nfs/dbraw/zinc/36/39/50/467363950.db2.gz GMSBXMWOZSZGGH-UKRRQHHQSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420371464 467382681 /nfs/dbraw/zinc/38/26/81/467382681.db2.gz PMHBBKZOQNLBCP-HFAKWTLXSA-N 1 0 331.376 2.121 20 5 EEBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000414144844 467383385 /nfs/dbraw/zinc/38/33/85/467383385.db2.gz AMNXJWHQOLMEMI-HNNXBMFYSA-N 1 0 349.431 2.127 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389757985 467401419 /nfs/dbraw/zinc/40/14/19/467401419.db2.gz SNWFYSHJXWGZIM-QPUJVOFHSA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1c(NC(=O)CCN2CCCC[C@@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000430630227 467453423 /nfs/dbraw/zinc/45/34/23/467453423.db2.gz XWQCLRCBVAVVFJ-XJKSGUPXSA-N 1 0 334.420 2.434 20 5 EEBDRO Cn1cc(CN[C@H](CC[NH3+])C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414992928 467463084 /nfs/dbraw/zinc/46/30/84/467463084.db2.gz RUTIADMMIJJFTN-CYBMUJFWSA-N 1 0 339.346 2.067 20 5 EEBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000430934334 467477559 /nfs/dbraw/zinc/47/75/59/467477559.db2.gz LRRAYKMWXZFNQZ-IUODEOHRSA-N 1 0 330.388 2.461 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444093225 467581767 /nfs/dbraw/zinc/58/17/67/467581767.db2.gz ASAUJFGHIXYVPA-UHFFFAOYSA-N 1 0 341.386 2.454 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000449233557 467625142 /nfs/dbraw/zinc/62/51/42/467625142.db2.gz MDSZNZKPZIFEFF-GXTWGEPZSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@@H](CCCO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408478 467641068 /nfs/dbraw/zinc/64/10/68/467641068.db2.gz NZGGTATVLQDMKV-XJKSGUPXSA-N 1 0 332.404 2.416 20 5 EEBDRO CNc1nc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000456026427 467704243 /nfs/dbraw/zinc/70/42/43/467704243.db2.gz DZFZMTBUNCTZHZ-ZDUSSCGKSA-N 1 0 349.435 2.272 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457208756 467777233 /nfs/dbraw/zinc/77/72/33/467777233.db2.gz OFJICCGHHXWDOH-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1OCC[NH+](C)C ZINC000458199205 467788006 /nfs/dbraw/zinc/78/80/06/467788006.db2.gz QMDAEBNJAVFQAS-UHFFFAOYSA-N 1 0 332.360 2.424 20 5 EEBDRO C[C@@H]1CN(CCN(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493046733 467827332 /nfs/dbraw/zinc/82/73/32/467827332.db2.gz BMZZGDQHNWHLSC-VMZPBXKQSA-N 1 0 347.415 2.176 20 5 EEBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000450474929 467855989 /nfs/dbraw/zinc/85/59/89/467855989.db2.gz UDGPNYSCWTXMPT-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO CCc1nc(C)c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000459512278 467960845 /nfs/dbraw/zinc/96/08/45/467960845.db2.gz QKKBPCCHRIVARW-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000515125302 467974314 /nfs/dbraw/zinc/97/43/14/467974314.db2.gz ZPSHJNUHUFAPRN-CYBMUJFWSA-N 1 0 333.388 2.016 20 5 EEBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000531177483 468033948 /nfs/dbraw/zinc/03/39/48/468033948.db2.gz YOAGCLICZOYPLA-UHFFFAOYSA-N 1 0 326.368 2.486 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494204376 468036982 /nfs/dbraw/zinc/03/69/82/468036982.db2.gz JDKCRBGFWMHULT-ZBEGNZNMSA-N 1 0 337.376 2.089 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590035555 468206220 /nfs/dbraw/zinc/20/62/20/468206220.db2.gz DOOPDASMROUJMI-CQSZACIVSA-N 1 0 349.431 2.099 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000550367688 468215459 /nfs/dbraw/zinc/21/54/59/468215459.db2.gz RTMBEUZGVBFAIC-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000490790310 468251323 /nfs/dbraw/zinc/25/13/23/468251323.db2.gz OIFLNQQYHHKGKR-PTZVLDCSSA-N 1 0 347.415 2.081 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000578830662 468261358 /nfs/dbraw/zinc/26/13/58/468261358.db2.gz WSJJORNYNNPUCI-OAHLLOKOSA-N 1 0 342.355 2.202 20 5 EEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000591749453 468514389 /nfs/dbraw/zinc/51/43/89/468514389.db2.gz QNIOGTMSJBGMPW-ZDUSSCGKSA-N 1 0 349.412 2.157 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600313035 468530325 /nfs/dbraw/zinc/53/03/25/468530325.db2.gz HEFNKWRLRLKTEA-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594522783 468615174 /nfs/dbraw/zinc/61/51/74/468615174.db2.gz SVTKNQWDQZBVBT-WCQYABFASA-N 1 0 345.403 2.330 20 5 EEBDRO COc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597859917 468696730 /nfs/dbraw/zinc/69/67/30/468696730.db2.gz IAGAEXBIUBVOMJ-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471221 468705900 /nfs/dbraw/zinc/70/59/00/468705900.db2.gz MSSNBWIZIRGBAW-UHFFFAOYSA-N 1 0 332.404 2.058 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000570997381 468724972 /nfs/dbraw/zinc/72/49/72/468724972.db2.gz MUEDHVJIOZDAPF-GFCCVEGCSA-N 1 0 325.796 2.343 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000595011416 468743098 /nfs/dbraw/zinc/74/30/98/468743098.db2.gz DSIQYQQVAYEZMM-GXTWGEPZSA-N 1 0 326.393 2.288 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCSCC1 ZINC000595019019 468743548 /nfs/dbraw/zinc/74/35/48/468743548.db2.gz PKJABMAMQGKLQY-LBPRGKRZSA-N 1 0 325.434 2.303 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000595028769 468746235 /nfs/dbraw/zinc/74/62/35/468746235.db2.gz UOOPEZRVTLTPFE-NSHDSACASA-N 1 0 342.417 2.079 20 5 EEBDRO CCCN1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094092 468757397 /nfs/dbraw/zinc/75/73/97/468757397.db2.gz CHYSKKVVHKJWEC-UKRRQHHQSA-N 1 0 334.420 2.386 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ccccc1 ZINC000560276831 468777216 /nfs/dbraw/zinc/77/72/16/468777216.db2.gz JATKWSRFAGAGFK-CQSZACIVSA-N 1 0 332.356 2.003 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593080179 468862776 /nfs/dbraw/zinc/86/27/76/468862776.db2.gz JDRWNJVTFKXVOX-CABCVRRESA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000602689791 469013346 /nfs/dbraw/zinc/01/33/46/469013346.db2.gz ZBGPNEHWDSBITA-CYBMUJFWSA-N 1 0 331.294 2.372 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593518970 469013780 /nfs/dbraw/zinc/01/37/80/469013780.db2.gz WWLIUCDTHXOHCT-ZDUSSCGKSA-N 1 0 337.395 2.371 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000602767903 469061126 /nfs/dbraw/zinc/06/11/26/469061126.db2.gz LEQOISAJLGXNLK-HZPDHXFCSA-N 1 0 341.415 2.168 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602787757 469074814 /nfs/dbraw/zinc/07/48/14/469074814.db2.gz KPJZEXIBMCZFEU-LZWOXQAQSA-N 1 0 335.452 2.437 20 5 EEBDRO CCC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610799203 469075311 /nfs/dbraw/zinc/07/53/11/469075311.db2.gz KOPXWGFBNQTBBB-OAHLLOKOSA-N 1 0 343.449 2.307 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000595939085 469093194 /nfs/dbraw/zinc/09/31/94/469093194.db2.gz VGFUGNQSJXTYLH-HNNXBMFYSA-N 1 0 334.420 2.210 20 5 EEBDRO CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)F ZINC000599093973 469117050 /nfs/dbraw/zinc/11/70/50/469117050.db2.gz CFPHPJDIFIRWQJ-RYUDHWBXSA-N 1 0 331.367 2.062 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611088177 469158027 /nfs/dbraw/zinc/15/80/27/469158027.db2.gz IHWKUCIXNGDAQU-LLVKDONJSA-N 1 0 325.796 2.343 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596172555 469185164 /nfs/dbraw/zinc/18/51/64/469185164.db2.gz LGIFCFZVDAKHLU-LBPRGKRZSA-N 1 0 332.198 2.082 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611268470 469214267 /nfs/dbraw/zinc/21/42/67/469214267.db2.gz UBXHQAKWPRUSCZ-UUNORDMYSA-N 1 0 331.416 2.139 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596308493 469239262 /nfs/dbraw/zinc/23/92/62/469239262.db2.gz SVWARWRXSCSCSB-LBPRGKRZSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000599505339 469278794 /nfs/dbraw/zinc/27/87/94/469278794.db2.gz MYPPRDUFYLPGOT-UHFFFAOYSA-N 1 0 334.351 2.474 20 5 EEBDRO COC(=O)c1cnc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596561438 469301210 /nfs/dbraw/zinc/30/12/10/469301210.db2.gz BKUOASRUEHJDHE-UHFFFAOYSA-N 1 0 348.403 2.310 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599586420 469301225 /nfs/dbraw/zinc/30/12/25/469301225.db2.gz ICAJWUVVGJZIJQ-MRXNPFEDSA-N 1 0 348.403 2.217 20 5 EEBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571733 469303950 /nfs/dbraw/zinc/30/39/50/469303950.db2.gz ZHHIICCYUXAPEC-CYBMUJFWSA-N 1 0 348.403 2.310 20 5 EEBDRO O=C(N1CC[C@H]2CC[NH2+][C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602493337 469340119 /nfs/dbraw/zinc/34/01/19/469340119.db2.gz SWUXGUHZWOBURL-CJNGLKHVSA-N 1 0 329.400 2.227 20 5 EEBDRO O=[N+]([O-])c1sc(C[NH2+]CCn2ccnc2)cc1Br ZINC000602503859 469341174 /nfs/dbraw/zinc/34/11/74/469341174.db2.gz NHFJUCRKEPHONW-UHFFFAOYSA-N 1 0 331.195 2.405 20 5 EEBDRO COC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000616008133 469353331 /nfs/dbraw/zinc/35/33/31/469353331.db2.gz NVMXCSAYCDBNPN-KGLIPLIRSA-N 1 0 338.408 2.060 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H](O)C3)CC2)cn1 ZINC000602557887 469359913 /nfs/dbraw/zinc/35/99/13/469359913.db2.gz JRWUIOOKDYBDLA-CJNGLKHVSA-N 1 0 334.420 2.099 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@]2(CC)CCOC2)c([N+](=O)[O-])c1 ZINC000616866053 469526265 /nfs/dbraw/zinc/52/62/65/469526265.db2.gz JWCIKYDALRMZCK-INIZCTEOSA-N 1 0 337.376 2.091 20 5 EEBDRO COc1cc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000619506718 469628473 /nfs/dbraw/zinc/62/84/73/469628473.db2.gz YEIYRXWSOWWXKH-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO CS(=O)(=O)Nc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609222336 469903787 /nfs/dbraw/zinc/90/37/87/469903787.db2.gz DBKZNMUOVQFZEU-UHFFFAOYSA-N 1 0 349.412 2.299 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610244747 469992633 /nfs/dbraw/zinc/99/26/33/469992633.db2.gz NEPHYPNJDHRXGY-LBPRGKRZSA-N 1 0 349.387 2.270 20 5 EEBDRO CCc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604303666 485646345 /nfs/dbraw/zinc/64/63/45/485646345.db2.gz FMKDBYGJIYTDJI-KBPBESRZSA-N 1 0 339.399 2.270 20 5 EEBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179615072 527685800 /nfs/dbraw/zinc/68/58/00/527685800.db2.gz RNQSRYGRCWLNFU-CQSZACIVSA-N 1 0 337.420 2.159 20 5 EEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191660612 528623101 /nfs/dbraw/zinc/62/31/01/528623101.db2.gz JBYWTKXFSMUPQJ-SFHVURJKSA-N 1 0 349.431 2.431 20 5 EEBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)[C@@H]1OC ZINC000191399005 529108153 /nfs/dbraw/zinc/10/81/53/529108153.db2.gz VJEIVHASTCTOQL-MAZHCROVSA-N 1 0 337.420 2.186 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000423646158 535426394 /nfs/dbraw/zinc/42/63/94/535426394.db2.gz TVTQGBXYSOXKBD-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000456901743 535670103 /nfs/dbraw/zinc/67/01/03/535670103.db2.gz PDRNELCLSQGIEC-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000456366288 536134369 /nfs/dbraw/zinc/13/43/69/536134369.db2.gz ZTOUOJGQPDCFBV-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678019 577116126 /nfs/dbraw/zinc/11/61/26/577116126.db2.gz FENCNFXNSOUKCE-KRWDZBQOSA-N 1 0 329.356 2.376 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582202 577463277 /nfs/dbraw/zinc/46/32/77/577463277.db2.gz MDCGIDFCQOIQPZ-IAGOWNOFSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000766376713 577518089 /nfs/dbraw/zinc/51/80/89/577518089.db2.gz OSXSXTJXONHMFF-HUUCEWRRSA-N 1 0 329.404 2.344 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000766376719 577518144 /nfs/dbraw/zinc/51/81/44/577518144.db2.gz OSXSXTJXONHMFF-LSDHHAIUSA-N 1 0 329.404 2.344 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000766968467 577528069 /nfs/dbraw/zinc/52/80/69/577528069.db2.gz GOXXVMDIBPBVFK-FSPWUOQZSA-N 1 0 330.384 2.382 20 5 EEBDRO [NH2+]=C(NOCc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000764568372 577738947 /nfs/dbraw/zinc/73/89/47/577738947.db2.gz GTVVFCWNZDKFRE-HNNXBMFYSA-N 1 0 329.312 2.433 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)CC[NH+](C)C ZINC000742397210 577872329 /nfs/dbraw/zinc/87/23/29/577872329.db2.gz DAWBKGXHDODRDJ-VIFPVBQESA-N 1 0 340.336 2.042 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022063573 676628164 /nfs/dbraw/zinc/62/81/64/676628164.db2.gz DQDDHWJBUVLZGJ-YYIAUSFCSA-N 1 0 331.416 2.212 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892176423 678206039 /nfs/dbraw/zinc/20/60/39/678206039.db2.gz UBMSLSJDYDOHTD-ZDUSSCGKSA-N 1 0 344.415 2.414 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000892544085 681700849 /nfs/dbraw/zinc/70/08/49/681700849.db2.gz BYCLEABAPDQKTO-ZDUSSCGKSA-N 1 0 343.387 2.277 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000894445541 682898088 /nfs/dbraw/zinc/89/80/88/682898088.db2.gz OUKPHWGKWUSXSN-GXTWGEPZSA-N 1 0 335.404 2.368 20 5 EEBDRO C[C@]1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[NH+]2CCC1CC2 ZINC000892780270 683035167 /nfs/dbraw/zinc/03/51/67/683035167.db2.gz RGOGSTOECVQAJT-SFHVURJKSA-N 1 0 342.399 2.219 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001029304617 683939749 /nfs/dbraw/zinc/93/97/49/683939749.db2.gz BVRGJTXYOWHGCD-YYIAUSFCSA-N 1 0 335.448 2.297 20 5 EEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000897502356 690755780 /nfs/dbraw/zinc/75/57/80/690755780.db2.gz CUIKQEAVTLBKBE-AWEZNQCLSA-N 1 0 334.420 2.263 20 5 EEBDRO CCCOCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204698942 1187115192 /nfs/dbraw/zinc/11/51/92/1187115192.db2.gz HTRDDVJRJFQVBS-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1ccc(N(C)CCN(C)C(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001105588935 1188202506 /nfs/dbraw/zinc/20/25/06/1188202506.db2.gz CFQMTIWWLCJAAP-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936278 1189051857 /nfs/dbraw/zinc/05/18/57/1189051857.db2.gz DTZGVTXHAXSZQV-NVXWUHKLSA-N 1 0 327.384 2.019 20 5 EEBDRO CN(C(=O)c1cc[nH]n1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005132513 1194484218 /nfs/dbraw/zinc/48/42/18/1194484218.db2.gz AFJCPCCLCDGQTP-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000865455521 1198227019 /nfs/dbraw/zinc/22/70/19/1198227019.db2.gz BOGDWDPYHOOKNY-HUUCEWRRSA-N 1 0 337.379 2.481 20 5 EEBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079890 1198494480 /nfs/dbraw/zinc/49/44/80/1198494480.db2.gz JINMNPCULHVJLC-QZTJIDSGSA-N 1 0 333.432 2.371 20 5 EEBDRO CCc1c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1C ZINC001133842193 1199113642 /nfs/dbraw/zinc/11/36/42/1199113642.db2.gz GFXISUZAVNBFEA-UHFFFAOYSA-N 1 0 330.388 2.015 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000876513033 1199652833 /nfs/dbraw/zinc/65/28/33/1199652833.db2.gz GEEZSDJLGGQQGU-VIFPVBQESA-N 1 0 342.193 2.168 20 5 EEBDRO COc1ccc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cc1 ZINC000877236214 1199885924 /nfs/dbraw/zinc/88/59/24/1199885924.db2.gz YATSLENARWLBNS-DLBZAZTESA-N 1 0 341.367 2.170 20 5 EEBDRO CC(=O)Nc1ccc2c(c1)CN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000880032793 1201356584 /nfs/dbraw/zinc/35/65/84/1201356584.db2.gz RXXUSXOMSSWKSC-UHFFFAOYSA-N 1 0 343.387 2.116 20 5 EEBDRO CN1CC[NH+](C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213571 1201467558 /nfs/dbraw/zinc/46/75/58/1201467558.db2.gz SSEHSFWBIQDWCH-UHFFFAOYSA-N 1 0 338.839 2.464 20 5 EEBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000866261547 1201479247 /nfs/dbraw/zinc/47/92/47/1201479247.db2.gz WHJUWVIUZFSRET-UHFFFAOYSA-N 1 0 346.366 2.409 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCOCC1 ZINC000866298740 1201487915 /nfs/dbraw/zinc/48/79/15/1201487915.db2.gz FFGIBIQYSZMGFZ-ZBEGNZNMSA-N 1 0 326.368 2.042 20 5 EEBDRO CC[C@@H]1COCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000881464687 1201703948 /nfs/dbraw/zinc/70/39/48/1201703948.db2.gz QIWPENNJGCALAH-GFCCVEGCSA-N 1 0 341.795 2.089 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882031626 1201806040 /nfs/dbraw/zinc/80/60/40/1201806040.db2.gz JTIIDMMCQRKGRM-GFCCVEGCSA-N 1 0 332.404 2.383 20 5 EEBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886194054 1202480147 /nfs/dbraw/zinc/48/01/47/1202480147.db2.gz ICHGACIEURVXOC-CJNGLKHVSA-N 1 0 343.383 2.500 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887134404 1204213825 /nfs/dbraw/zinc/21/38/25/1204213825.db2.gz JDQMCCQAXKJONH-RDTXWAMCSA-N 1 0 342.399 2.234 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095423561 1205734191 /nfs/dbraw/zinc/73/41/91/1205734191.db2.gz BRBLYRYBNZPSKQ-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000929949882 1206520648 /nfs/dbraw/zinc/52/06/48/1206520648.db2.gz CMCCMKVPVITKQF-AALSBFMBSA-N 1 0 325.453 2.447 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000930768500 1206581450 /nfs/dbraw/zinc/58/14/50/1206581450.db2.gz HXIYEWMQVPDHAG-ZWNOBZJWSA-N 1 0 334.376 2.208 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000931045424 1206602552 /nfs/dbraw/zinc/60/25/52/1206602552.db2.gz PWHKMFKYWWHYDW-YGRLFVJLSA-N 1 0 340.811 2.211 20 5 EEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778261754 1208005804 /nfs/dbraw/zinc/00/58/04/1208005804.db2.gz PLEYEOZJYMBQNJ-CYBMUJFWSA-N 1 0 339.342 2.287 20 5 EEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000795695812 1214959507 /nfs/dbraw/zinc/95/95/07/1214959507.db2.gz LYJZVIOSZLSQIN-ZACQAIPSSA-N 1 0 328.372 2.253 20 5 EEBDRO O=[N+]([O-])c1ccnn1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000795712003 1215000996 /nfs/dbraw/zinc/00/09/96/1215000996.db2.gz UJMIEXOFZDUECY-SFHVURJKSA-N 1 0 341.415 2.347 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC001114782654 1215283728 /nfs/dbraw/zinc/28/37/28/1215283728.db2.gz SHLJRSWDFALDMR-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(N)=O)cc1 ZINC000796114800 1215308217 /nfs/dbraw/zinc/30/82/17/1215308217.db2.gz UXBAOWCXLKZBQD-UHFFFAOYSA-N 1 0 343.383 2.133 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119760735 1229594355 /nfs/dbraw/zinc/59/43/55/1229594355.db2.gz HLKMOEJWADQNCA-LLVKDONJSA-N 1 0 347.462 2.199 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900371463 1234284484 /nfs/dbraw/zinc/28/44/84/1234284484.db2.gz DRBJQLIBPSWXBP-SECBINFHSA-N 1 0 327.743 2.354 20 5 EEBDRO Cc1ccc(N2CCCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001057142176 1242050707 /nfs/dbraw/zinc/05/07/07/1242050707.db2.gz RDWGDIGOQAZMIU-UHFFFAOYSA-N 1 0 346.431 2.038 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097203799 1243819655 /nfs/dbraw/zinc/81/96/55/1243819655.db2.gz XFONENQDPAQYCV-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO CCCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291603 1245487022 /nfs/dbraw/zinc/48/70/22/1245487022.db2.gz URPHKXRBZABZQY-IAGOWNOFSA-N 1 0 331.416 2.126 20 5 EEBDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850555352 1277266330 /nfs/dbraw/zinc/26/63/30/1277266330.db2.gz HGTSIYXNLOEMJJ-NWDGAFQWSA-N 1 0 334.420 2.475 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000102652986 1284278260 /nfs/dbraw/zinc/27/82/60/1284278260.db2.gz XUQCHXSIVKAFQB-NSHDSACASA-N 1 0 332.360 2.176 20 5 EEBDRO CC(C)OCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199401732 1285653318 /nfs/dbraw/zinc/65/33/18/1285653318.db2.gz XJFUCFJTJNGAEN-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853338780 1292359154 /nfs/dbraw/zinc/35/91/54/1292359154.db2.gz RNXWAXRKNOQTFE-UHFFFAOYSA-N 1 0 329.347 2.425 20 5 EEBDRO O=C(CC1CC1)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072382860 1295588821 /nfs/dbraw/zinc/58/88/21/1295588821.db2.gz UJFMVXCGSHWCEH-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO Cc1c(Nc2cnn(CC[NH+](C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291069 1295801525 /nfs/dbraw/zinc/80/15/25/1295801525.db2.gz SJPSURUZINGZGF-UHFFFAOYSA-N 1 0 334.336 2.313 20 5 EEBDRO Cn1nnnc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218496947 1297680903 /nfs/dbraw/zinc/68/09/03/1297680903.db2.gz NSWTUPMEFVPELK-KRWDZBQOSA-N 1 0 346.394 2.025 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001218857738 1297832490 /nfs/dbraw/zinc/83/24/90/1297832490.db2.gz QIYWGVDHWMLPIC-WYRIXSBYSA-N 1 0 333.395 2.303 20 5 EEBDRO Cc1ccnc(NCCN(C)C(=O)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001101643656 1299715923 /nfs/dbraw/zinc/71/59/23/1299715923.db2.gz TVTKMXQEDGBOCF-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Br ZINC001226024457 1301236104 /nfs/dbraw/zinc/23/61/04/1301236104.db2.gz AEIZJROMBMPWHU-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227453639 1301835513 /nfs/dbraw/zinc/83/55/13/1301835513.db2.gz VVUJANUZOYEJRX-OAHLLOKOSA-N 1 0 340.379 2.394 20 5 EEBDRO Cc1cc(=O)oc2c1ccc(O[C@@H]1C[NH+]3CCC1CC3)c2[N+](=O)[O-] ZINC001229945482 1302995270 /nfs/dbraw/zinc/99/52/70/1302995270.db2.gz WTKXYOOEXCAHGA-CQSZACIVSA-N 1 0 330.340 2.483 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233751624 1304577515 /nfs/dbraw/zinc/57/75/15/1304577515.db2.gz WHTFAWCQWBGOEV-SECBINFHSA-N 1 0 335.282 2.108 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc2c1ccc1cccnc12 ZINC001234086769 1304732895 /nfs/dbraw/zinc/73/28/95/1304732895.db2.gz JKMJUINVAFJDSY-CQSZACIVSA-N 1 0 340.403 2.146 20 5 EEBDRO CCOc1ccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)sc2c1 ZINC001234575733 1304975123 /nfs/dbraw/zinc/97/51/23/1304975123.db2.gz KVTMFMANBRDUMK-LLVKDONJSA-N 1 0 339.437 2.058 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC001116760169 1305915872 /nfs/dbraw/zinc/91/58/72/1305915872.db2.gz AZHVHOACJYKLIA-CQSZACIVSA-N 1 0 347.415 2.484 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117749715 1306161823 /nfs/dbraw/zinc/16/18/23/1306161823.db2.gz ACYWORWTGLDRRP-QWHCGFSZSA-N 1 0 334.420 2.476 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001119323075 1309048921 /nfs/dbraw/zinc/04/89/21/1309048921.db2.gz VEDHFJBJAFTXRF-LLVKDONJSA-N 1 0 327.331 2.186 20 5 EEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001123453906 1310577132 /nfs/dbraw/zinc/57/71/32/1310577132.db2.gz RDJZTZSBFTVTEH-HNNXBMFYSA-N 1 0 348.403 2.278 20 5 EEBDRO O[C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]C1 ZINC001248741147 1310930159 /nfs/dbraw/zinc/93/01/59/1310930159.db2.gz VAQKSNFYSZJVSD-GOSISDBHSA-N 1 0 333.351 2.014 20 5 EEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000841161128 1315493564 /nfs/dbraw/zinc/49/35/64/1315493564.db2.gz KAMYUEJPCVGBDI-VIFPVBQESA-N 1 0 343.181 2.231 20 5 EEBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000841855253 1315624720 /nfs/dbraw/zinc/62/47/20/1315624720.db2.gz IZMBATRFIIDGIU-GHMZBOCLSA-N 1 0 340.811 2.436 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000842834656 1315782527 /nfs/dbraw/zinc/78/25/27/1315782527.db2.gz YJEQCJZMWYQYBN-AWEZNQCLSA-N 1 0 338.408 2.153 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094729 1315840579 /nfs/dbraw/zinc/84/05/79/1315840579.db2.gz LGAKICWVJSFOFS-FUHWJXTLSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc(F)c1 ZINC000843104882 1315842985 /nfs/dbraw/zinc/84/29/85/1315842985.db2.gz RBABCXJIZFQYPT-GOPGUHFVSA-N 1 0 334.347 2.479 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCO)Cc2ccccc2)cc1 ZINC000843110775 1315844984 /nfs/dbraw/zinc/84/49/84/1315844984.db2.gz APLPTNHHWVENMN-AEFFLSMTSA-N 1 0 330.384 2.212 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](C[NH3+])C[C@H]1C ZINC000843363046 1315901306 /nfs/dbraw/zinc/90/13/06/1315901306.db2.gz YAHKIOJVTAFGLE-VWYCJHECSA-N 1 0 340.811 2.244 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2C1 ZINC000843455176 1315918038 /nfs/dbraw/zinc/91/80/38/1315918038.db2.gz JZCJXLNEGPSGDZ-NSHDSACASA-N 1 0 330.319 2.197 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000843474302 1315920176 /nfs/dbraw/zinc/92/01/76/1315920176.db2.gz WWVIWKOOUMYNHE-RKDXNWHRSA-N 1 0 329.759 2.139 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843486876 1315922246 /nfs/dbraw/zinc/92/22/46/1315922246.db2.gz WUCQOGRTOBHPJO-KGLIPLIRSA-N 1 0 346.431 2.123 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ncccc1N1CC[NH+](C)CC1 ZINC001249544216 1317113247 /nfs/dbraw/zinc/11/32/47/1317113247.db2.gz CKQACYYRUNVPEL-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO COc1cc2ncnc(NC[C@@]3(F)CCCC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001155116929 1317463511 /nfs/dbraw/zinc/46/35/11/1317463511.db2.gz MMBNALDHXQWQJN-MRXNPFEDSA-N 1 0 349.366 2.440 20 5 EEBDRO c1cnc2c(c1)ccc1ccc(NCc3nnc4n3CCC[NH2+]C4)nc12 ZINC001155425447 1317592033 /nfs/dbraw/zinc/59/20/33/1317592033.db2.gz YAUIUWQHWUBSCY-UHFFFAOYSA-N 1 0 345.410 2.480 20 5 EEBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155510295 1317629827 /nfs/dbraw/zinc/62/98/27/1317629827.db2.gz RFAOFPUXKWHZAL-OASPWFOLSA-N 1 0 334.763 2.195 20 5 EEBDRO CC(=O)N1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC001254480177 1318084261 /nfs/dbraw/zinc/08/42/61/1318084261.db2.gz CAOHUKVTMGYHCQ-AWEZNQCLSA-N 1 0 346.431 2.116 20 5 EEBDRO COC(=O)C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001254533236 1318111669 /nfs/dbraw/zinc/11/16/69/1318111669.db2.gz YMIHIWBKRLERQJ-ZDUSSCGKSA-N 1 0 336.388 2.085 20 5 EEBDRO O=C1CCC[C@@]2(CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)N1 ZINC001254594576 1318136701 /nfs/dbraw/zinc/13/67/01/1318136701.db2.gz GEMHRGRNYAHOEP-AEFFLSMTSA-N 1 0 329.400 2.197 20 5 EEBDRO COc1cc(N2CCC(n3cc(C[NH3+])cn3)CC2)ccc1[N+](=O)[O-] ZINC001256086655 1318643256 /nfs/dbraw/zinc/64/32/56/1318643256.db2.gz ALPNLLNFFHQIRL-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO CCOC(=O)C1(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158572765 1319316819 /nfs/dbraw/zinc/31/68/19/1319316819.db2.gz ZBSOEFRAADOWOZ-UHFFFAOYSA-N 1 0 336.392 2.046 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001159544844 1319873034 /nfs/dbraw/zinc/87/30/34/1319873034.db2.gz BRCPMFQASDQSOL-UHFFFAOYSA-N 1 0 331.420 2.427 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnc(C2CC2)o1 ZINC001160167130 1320088851 /nfs/dbraw/zinc/08/88/51/1320088851.db2.gz REMNQCQKLBLFFX-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160198500 1320096751 /nfs/dbraw/zinc/09/67/51/1320096751.db2.gz BOLXZVFYDCOHEG-GFCCVEGCSA-N 1 0 337.339 2.396 20 5 EEBDRO COc1cc(C)nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738526 1320254273 /nfs/dbraw/zinc/25/42/73/1320254273.db2.gz KLFIRACGCDOSRT-BDAKNGLRSA-N 1 0 334.298 2.259 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162733973 1320944087 /nfs/dbraw/zinc/94/40/87/1320944087.db2.gz WTPPXTLGYONBMF-ZDUSSCGKSA-N 1 0 345.346 2.416 20 5 EEBDRO CCOc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163053414 1321024393 /nfs/dbraw/zinc/02/43/93/1321024393.db2.gz QXNMIWMMUAJXHQ-GFCCVEGCSA-N 1 0 332.360 2.167 20 5 EEBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)cc1 ZINC001163053104 1321024541 /nfs/dbraw/zinc/02/45/41/1321024541.db2.gz NMJXJRFTHVQFRG-LLVKDONJSA-N 1 0 327.344 2.249 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCc1noc2c1C[NH2+]CC2 ZINC001163124521 1321043124 /nfs/dbraw/zinc/04/31/24/1321043124.db2.gz PAGUIEFEMLVACA-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO CC/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163676738 1321190051 /nfs/dbraw/zinc/19/00/51/1321190051.db2.gz IYGOVMOIEAKGDZ-WLRTZDKTSA-N 1 0 349.435 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc1-c1ccccc1 ZINC001165275349 1321489904 /nfs/dbraw/zinc/48/99/04/1321489904.db2.gz MRKYAWKQMGUBHE-HOCLYGCPSA-N 1 0 340.383 2.224 20 5 EEBDRO CC(C)(C)N(c1cc(N)c([N+](=O)[O-])cn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671018 1321562221 /nfs/dbraw/zinc/56/22/21/1321562221.db2.gz WVZIOKPPNAXPFH-LBPRGKRZSA-N 1 0 349.435 2.088 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001261491889 1322114472 /nfs/dbraw/zinc/11/44/72/1322114472.db2.gz JVWZIJZIZYDEJC-SSDOTTSWSA-N 1 0 348.172 2.224 20 5 EEBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CC[N@H+](CC4CC4)C3)c2c1 ZINC001306963754 1331503788 /nfs/dbraw/zinc/50/37/88/1331503788.db2.gz HJKWDPKZCBMPQG-ZDUSSCGKSA-N 1 0 342.399 2.470 20 5 EEBDRO NC(=O)[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001308433407 1331591020 /nfs/dbraw/zinc/59/10/20/1331591020.db2.gz LWBUPYXYSNYDEC-CMPLNLGQSA-N 1 0 346.412 2.462 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001320060181 1332817818 /nfs/dbraw/zinc/81/78/18/1332817818.db2.gz XOCGCAOXEWCNAF-UHFFFAOYSA-N 1 0 340.339 2.490 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609145243 1351860302 /nfs/dbraw/zinc/86/03/02/1351860302.db2.gz GVPFOMFXKPLLNO-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO CC[C@@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]C1 ZINC001326320330 1334067804 /nfs/dbraw/zinc/06/78/04/1334067804.db2.gz QVZLQKLDJLOIQB-MRXNPFEDSA-N 1 0 329.360 2.313 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609213008 1351895226 /nfs/dbraw/zinc/89/52/26/1351895226.db2.gz BBGUAWHYXVDNMM-UHFFFAOYSA-N 1 0 345.407 2.087 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001328025291 1334380958 /nfs/dbraw/zinc/38/09/58/1334380958.db2.gz DMRBNCKWBBNHDK-AWEZNQCLSA-N 1 0 334.420 2.417 20 5 EEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC001328506186 1334470501 /nfs/dbraw/zinc/47/05/01/1334470501.db2.gz RATPHNWAXGGAJC-ACJLOTCBSA-N 1 0 344.415 2.148 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccccc2C[NH3+])c1 ZINC001329415600 1334646181 /nfs/dbraw/zinc/64/61/81/1334646181.db2.gz VRBBBZLEBZBYAF-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001333294549 1335998293 /nfs/dbraw/zinc/99/82/93/1335998293.db2.gz XNFNHSAAFLCBRJ-QMMMGPOBSA-N 1 0 333.722 2.223 20 5 EEBDRO Cc1cccnc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335915745 1336447819 /nfs/dbraw/zinc/44/78/19/1336447819.db2.gz BBJABTHOERPGDA-HIFRSBDPSA-N 1 0 331.372 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC([NH2+]CCO)CC1 ZINC001336694383 1336582166 /nfs/dbraw/zinc/58/21/66/1336582166.db2.gz XIIWCOJVEWVOEF-UHFFFAOYSA-N 1 0 333.310 2.164 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H](F)C2)cc1 ZINC001336841705 1336603625 /nfs/dbraw/zinc/60/36/25/1336603625.db2.gz XZQLHAZZKKBDIS-NWDGAFQWSA-N 1 0 330.381 2.239 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001340404420 1337177000 /nfs/dbraw/zinc/17/70/00/1337177000.db2.gz LMYGMALAGIMIIR-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Cc1ccccc1 ZINC001341031709 1337276355 /nfs/dbraw/zinc/27/63/55/1337276355.db2.gz WVVJGWJAZQYQIU-AWEZNQCLSA-N 1 0 343.383 2.164 20 5 EEBDRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001200170880 1338115518 /nfs/dbraw/zinc/11/55/18/1338115518.db2.gz NVJJCUOJYJBADZ-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100203720 1338156690 /nfs/dbraw/zinc/15/66/90/1338156690.db2.gz CFNNGQZVWPDJJC-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO C[NH2+]CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001578726664 1344297629 /nfs/dbraw/zinc/29/76/29/1344297629.db2.gz HQWNFSCOUYVPHT-UHFFFAOYSA-N 1 0 344.419 2.310 20 5 EEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001578968029 1344324851 /nfs/dbraw/zinc/32/48/51/1344324851.db2.gz CONRGIDLKZHJRW-ZIAGYGMSSA-N 1 0 343.391 2.060 20 5 EEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])cc1F ZINC001579142629 1344343143 /nfs/dbraw/zinc/34/31/43/1344343143.db2.gz ARAJDLOXIGNMNY-UHFFFAOYSA-N 1 0 346.318 2.036 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)n1 ZINC001579642708 1344402273 /nfs/dbraw/zinc/40/22/73/1344402273.db2.gz RYUYXFYTOUNTKW-LSDHHAIUSA-N 1 0 344.346 2.004 20 5 EEBDRO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCC1(F)F ZINC001603938908 1350808173 /nfs/dbraw/zinc/80/81/73/1350808173.db2.gz YQNLJBIHYWGLTL-VIFPVBQESA-N 1 0 338.318 2.252 20 5 EEBDRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001604675655 1350982365 /nfs/dbraw/zinc/98/23/65/1350982365.db2.gz PRJISVMJURSIPV-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605722847 1351218068 /nfs/dbraw/zinc/21/80/68/1351218068.db2.gz COVCLEXSBKLKOC-GXTWGEPZSA-N 1 0 343.391 2.122 20 5 EEBDRO O=C1C[C@@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000864350411 1369595048 /nfs/dbraw/zinc/59/50/48/1369595048.db2.gz DGTWGMBMSFFCOS-DVOMOZLQSA-N 1 0 341.367 2.125 20 5 EEBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286390499 1369749706 /nfs/dbraw/zinc/74/97/06/1369749706.db2.gz YVKXQXOXDQTGPD-QYJAPNMZSA-N 1 0 343.387 2.168 20 5 EEBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000888091499 1371273128 /nfs/dbraw/zinc/27/31/28/1371273128.db2.gz JVFVLWFLNQALDD-PBHICJAKSA-N 1 0 332.356 2.172 20 5 EEBDRO C[C@@H]1[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000782532602 1371308597 /nfs/dbraw/zinc/30/85/97/1371308597.db2.gz XTMDLQHWUPEYOJ-NEPJUHHUSA-N 1 0 338.383 2.087 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC001122260720 1371956302 /nfs/dbraw/zinc/95/63/02/1371956302.db2.gz QHSZSBAGNDEJNI-AWEZNQCLSA-N 1 0 343.383 2.164 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000831534218 1372378947 /nfs/dbraw/zinc/37/89/47/1372378947.db2.gz NPLOVGMVVIBURT-FUHWJXTLSA-N 1 0 333.432 2.231 20 5 EEBDRO O=C(/C=C/[C@H]1CCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835458012 1372626235 /nfs/dbraw/zinc/62/62/35/1372626235.db2.gz NDYZWMHLGIGZFE-RMLGOWPTSA-N 1 0 346.383 2.305 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001752300289 1406269419 /nfs/dbraw/zinc/26/94/19/1406269419.db2.gz YUSCEVZCQNYNJB-HUUCEWRRSA-N 1 0 325.453 2.401 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CCC1)C1C[NH2+]C1 ZINC001576300234 1403563676 /nfs/dbraw/zinc/56/36/76/1403563676.db2.gz JORLWJVVUNVAOM-NSHDSACASA-N 1 0 335.429 2.428 20 5 EEBDRO COCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001755346470 1407346082 /nfs/dbraw/zinc/34/60/82/1407346082.db2.gz DMKNAXKMENTIBQ-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO [NH3+]CC1(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC001580245359 1403852406 /nfs/dbraw/zinc/85/24/06/1403852406.db2.gz MOHHOAUHKKXMIN-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO CCOC(=O)c1noc(CNc2ccccc2C[N+](C)(C)CC)n1 ZINC001171238434 790289239 /nfs/dbraw/zinc/28/92/39/790289239.db2.gz IVYJHTQPGLURFC-UHFFFAOYSA-N 1 0 333.412 2.455 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N(C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001112093299 769557882 /nfs/dbraw/zinc/55/78/82/769557882.db2.gz LMVGYPAWSGWTMM-UHFFFAOYSA-N 1 0 336.436 2.220 20 5 EEBDRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000893626015 776273570 /nfs/dbraw/zinc/27/35/70/776273570.db2.gz HRFZGFYSPCBOIL-WWGRRREGSA-N 1 0 346.431 2.480 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001127653931 777630095 /nfs/dbraw/zinc/63/00/95/777630095.db2.gz BHYHBFCZDORLFJ-UHFFFAOYSA-N 1 0 346.431 2.188 20 5 EEBDRO Cn1c2ccc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000816610773 784151325 /nfs/dbraw/zinc/15/13/25/784151325.db2.gz XXOAIEJLKUTZAT-UHFFFAOYSA-N 1 0 342.355 2.005 20 5 EEBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](Cc1ccc(O)cc1)C(O)O ZINC001170850943 784428175 /nfs/dbraw/zinc/42/81/75/784428175.db2.gz XNAOWLLQSVLMRA-IBGZPJMESA-O 1 0 345.463 2.322 20 5 EEBDRO O=C(CCCc1cccnc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135936684 784827207 /nfs/dbraw/zinc/82/72/07/784827207.db2.gz QFAXKJXRSFXRJU-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[NH2+]CCC1(F)F ZINC000818432997 785254064 /nfs/dbraw/zinc/25/40/64/785254064.db2.gz HTKAJQWCTDERRF-JTQLQIEISA-N 1 0 333.722 2.109 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818563439 785293381 /nfs/dbraw/zinc/29/33/81/785293381.db2.gz LJJCGIPRIMHTDP-UONOGXRCSA-N 1 0 346.431 2.394 20 5 EEBDRO O=C1CCCCCN1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818941603 785334180 /nfs/dbraw/zinc/33/41/80/785334180.db2.gz ZWEAHDHFMRNPFQ-MRXNPFEDSA-N 1 0 335.404 2.011 20 5 EEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000818942879 785335227 /nfs/dbraw/zinc/33/52/27/785335227.db2.gz LIJQXNRVHSQZNK-OALUTQOASA-N 1 0 343.427 2.391 20 5 EEBDRO O=C(CC1CCCCC1)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818992235 785356325 /nfs/dbraw/zinc/35/63/25/785356325.db2.gz OOLRYUSTSYRHEA-KRWDZBQOSA-N 1 0 349.431 2.304 20 5 EEBDRO CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1CC ZINC000819163390 785440855 /nfs/dbraw/zinc/44/08/55/785440855.db2.gz PHGSMZRBVJSHBC-MRXNPFEDSA-N 1 0 346.387 2.038 20 5 EEBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCCCC1 ZINC000819170871 785445160 /nfs/dbraw/zinc/44/51/60/785445160.db2.gz CGCYBOHGIGPKLI-SJORKVTESA-N 1 0 347.415 2.151 20 5 EEBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819262188 785497741 /nfs/dbraw/zinc/49/77/41/785497741.db2.gz KOPGMDSUCMLLPP-SMDDNHRTSA-N 1 0 339.392 2.131 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000819931892 785698616 /nfs/dbraw/zinc/69/86/16/785698616.db2.gz VFGMZRJVTLXGCG-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000820632777 785996683 /nfs/dbraw/zinc/99/66/83/785996683.db2.gz FXACUTCEXMMTEQ-HNNXBMFYSA-N 1 0 347.415 2.006 20 5 EEBDRO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996428819 786395596 /nfs/dbraw/zinc/39/55/96/786395596.db2.gz IHZNOIAZWUMZES-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001107276476 786690016 /nfs/dbraw/zinc/69/00/16/786690016.db2.gz JOQAAOJKHANNPR-NSCUHMNNSA-N 1 0 344.415 2.083 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107280839 786701129 /nfs/dbraw/zinc/70/11/29/786701129.db2.gz WDUMOALEJCQUJY-PLNGDYQASA-N 1 0 338.383 2.160 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000823770864 787928807 /nfs/dbraw/zinc/92/88/07/787928807.db2.gz JVMVEJLCHRNKOY-ZFWWWQNUSA-N 1 0 349.412 2.109 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912811342 788381531 /nfs/dbraw/zinc/38/15/31/788381531.db2.gz IFRNLCSAYJOVGW-OCCSQVGLSA-N 1 0 334.420 2.369 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825129678 788449143 /nfs/dbraw/zinc/44/91/43/788449143.db2.gz ALPVIOFUXBFFAO-JKIFEVAISA-N 1 0 349.431 2.112 20 5 EEBDRO COc1nc(N2C[C@H](CC[NH3+])c3ccccc32)nc(C)c1[N+](=O)[O-] ZINC001168545425 789090706 /nfs/dbraw/zinc/09/07/06/789090706.db2.gz OSTZZVHLCORGKO-NSHDSACASA-N 1 0 329.360 2.286 20 5 EEBDRO Cc1c(C(=O)N(CC[NH+](C)C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000156770620 789273600 /nfs/dbraw/zinc/27/36/00/789273600.db2.gz FIMDWWLILOCSSH-UHFFFAOYSA-N 1 0 338.364 2.224 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923269255 789280313 /nfs/dbraw/zinc/28/03/13/789280313.db2.gz YFUYFQYGFPVWKV-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923445972 789557161 /nfs/dbraw/zinc/55/71/61/789557161.db2.gz FYRJZDHVNBGODF-VWYCJHECSA-N 1 0 340.811 2.257 20 5 EEBDRO CSCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001146959676 791598256 /nfs/dbraw/zinc/59/82/56/791598256.db2.gz VEVIFXACZYCVPB-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000172484361 791698804 /nfs/dbraw/zinc/69/88/04/791698804.db2.gz FVNYNXOHJVUKKK-AWEZNQCLSA-N 1 0 346.387 2.020 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173468197 791858562 /nfs/dbraw/zinc/85/85/62/791858562.db2.gz UHRJRPLQRXWKNV-INIZCTEOSA-N 1 0 344.419 2.227 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001093185172 794791992 /nfs/dbraw/zinc/79/19/92/794791992.db2.gz AAPMJEINTIQQHN-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001110149862 795712549 /nfs/dbraw/zinc/71/25/49/795712549.db2.gz DHMXAZZBOLVNHX-UHFFFAOYSA-N 1 0 332.404 2.060 20 5 EEBDRO C[NH+](C)Cc1ccoc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001094073205 795912970 /nfs/dbraw/zinc/91/29/70/795912970.db2.gz QPYSTGNGSZZQDC-UHFFFAOYSA-N 1 0 332.360 2.091 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2occc2C[NH+](C)C)c1 ZINC001094073470 795914217 /nfs/dbraw/zinc/91/42/17/795914217.db2.gz XFYDVPGUMKCRMM-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO O=C(NCCCNc1ccc([N+](=O)[O-])cc1)C12CCC[NH+](CCC1)C2 ZINC001094872909 796877615 /nfs/dbraw/zinc/87/76/15/796877615.db2.gz GUGMRGUOBPXKJA-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913943 797148416 /nfs/dbraw/zinc/14/84/16/797148416.db2.gz WEHNPDLQWFQVAW-WBVHZDCISA-N 1 0 348.399 2.106 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H](O)C3CC3)CC2)c(F)c1 ZINC001173008593 797195458 /nfs/dbraw/zinc/19/54/58/797195458.db2.gz GZAXXTDPGZEHHY-OAHLLOKOSA-N 1 0 341.358 2.202 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CCOC3)CC2)c(F)c1 ZINC001173011645 797196023 /nfs/dbraw/zinc/19/60/23/797196023.db2.gz HZIOMMLUQBRGEI-NSHDSACASA-N 1 0 341.358 2.468 20 5 EEBDRO CCOC(=O)CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175373 797276535 /nfs/dbraw/zinc/27/65/35/797276535.db2.gz BFUAUBAFHQJWDK-JTQLQIEISA-N 1 0 328.340 2.216 20 5 EEBDRO CCOC(=O)[C@@H](C)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181498 797279730 /nfs/dbraw/zinc/27/97/30/797279730.db2.gz FAAGBYNTULUMJR-QWRGUYRKSA-N 1 0 342.367 2.462 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001173218619 797299312 /nfs/dbraw/zinc/29/93/12/797299312.db2.gz RBJPXZAZBHYYOU-ZDUSSCGKSA-N 1 0 343.383 2.488 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001173211504 797315009 /nfs/dbraw/zinc/31/50/09/797315009.db2.gz SJPTXEJBYUXKPI-DYVFJYSZSA-N 1 0 327.384 2.212 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001095235805 797569072 /nfs/dbraw/zinc/56/90/72/797569072.db2.gz LPCDITJDOJNTDE-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001095236186 797569848 /nfs/dbraw/zinc/56/98/48/797569848.db2.gz ZJATVJILBJSMEU-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC[C@H]1CCC[N@@H+]1C ZINC000917469928 798240825 /nfs/dbraw/zinc/24/08/25/798240825.db2.gz ZQUJPDFUJVMSDL-LLVKDONJSA-N 1 0 334.401 2.028 20 5 EEBDRO O=C(NCCCCCC[NH2+]CCCC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463906 799486745 /nfs/dbraw/zinc/48/67/45/799486745.db2.gz MSCJCNHWIDWJSS-HZPDHXFCSA-N 1 0 325.453 2.498 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC001156181495 803311472 /nfs/dbraw/zinc/31/14/72/803311472.db2.gz DJKMCYQNVKRODB-UHFFFAOYSA-N 1 0 341.843 2.390 20 5 EEBDRO CN1CCc2c(N(CC[NH3+])c3cccnc3)ccc([N+](=O)[O-])c2C1 ZINC001168836877 803463056 /nfs/dbraw/zinc/46/30/56/803463056.db2.gz AKALVPMYQPFYPV-UHFFFAOYSA-N 1 0 327.388 2.075 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001211 803566292 /nfs/dbraw/zinc/56/62/92/803566292.db2.gz DOMQYUPALAODLG-XDQVBPFNSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169012188 803571252 /nfs/dbraw/zinc/57/12/52/803571252.db2.gz OPMUKKRTJOYEBY-XJFOESAGSA-N 1 0 345.415 2.369 20 5 EEBDRO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169038999 803581944 /nfs/dbraw/zinc/58/19/44/803581944.db2.gz MHLNMLRILFZQGP-NVXWUHKLSA-N 1 0 331.416 2.198 20 5 EEBDRO CO[C@H](CN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040060 803583300 /nfs/dbraw/zinc/58/33/00/803583300.db2.gz XITFMFQRELKHHV-QXAKKESOSA-N 1 0 347.459 2.437 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169020723 803588534 /nfs/dbraw/zinc/58/85/34/803588534.db2.gz MCCFRAUDVFFDSV-MVJTYMMSSA-N 1 0 347.415 2.139 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)C1 ZINC001169026560 803592503 /nfs/dbraw/zinc/59/25/03/803592503.db2.gz MMZXCRFFFBRXHI-KGLIPLIRSA-N 1 0 330.388 2.395 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052477 803595561 /nfs/dbraw/zinc/59/55/61/803595561.db2.gz GFEYOFBYELCRDX-MQYQWHSLSA-N 1 0 327.425 2.419 20 5 EEBDRO O=C(CCn1cccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001169184982 803643788 /nfs/dbraw/zinc/64/37/88/803643788.db2.gz LPDNQNWFLCYPIS-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO O=C(CCn1cccc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001169199234 803647658 /nfs/dbraw/zinc/64/76/58/803647658.db2.gz HSANFAIHCMWZPD-UHFFFAOYSA-N 1 0 336.417 2.144 20 5 EEBDRO CN1Cc2cc(N3CCCc4ccc(C[NH3+])nc43)cc([N+](=O)[O-])c2N1 ZINC001169591008 803863419 /nfs/dbraw/zinc/86/34/19/803863419.db2.gz AVQSUXZJXAOJTP-UHFFFAOYSA-N 1 0 340.387 2.305 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790670206 808854955 /nfs/dbraw/zinc/85/49/55/808854955.db2.gz WOTWUYJTBCWKLU-JTQLQIEISA-N 1 0 343.786 2.388 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C(N)=O)c([N+](=O)[O-])c1 ZINC001170297718 809870629 /nfs/dbraw/zinc/87/06/29/809870629.db2.gz QXFNSXOQZHVSRU-GFCCVEGCSA-N 1 0 343.383 2.423 20 5 EEBDRO O=C(COCC1CCCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001129705003 810962862 /nfs/dbraw/zinc/96/28/62/810962862.db2.gz RVLSXAVOPLGTAQ-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO Cc1cncc(CCC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001131135984 812426474 /nfs/dbraw/zinc/42/64/74/812426474.db2.gz PWIURTSVKQNANK-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO C[C@@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170562676 812886822 /nfs/dbraw/zinc/88/68/22/812886822.db2.gz JFEJNOGOUWLPNX-WBMJQRKESA-N 1 0 328.372 2.446 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001131602155 813017463 /nfs/dbraw/zinc/01/74/63/813017463.db2.gz YMAGHXDPCUOKTF-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001520820135 1119196512 /nfs/dbraw/zinc/19/65/12/1119196512.db2.gz FSBSGIFJPHGDAJ-ZDUSSCGKSA-N 1 0 336.440 2.090 20 5 EEBDRO [NH3+][C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001523605525 1119817141 /nfs/dbraw/zinc/81/71/41/1119817141.db2.gz KNOXMRJRLVRFAG-CHWSQXEVSA-N 1 0 341.770 2.316 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000109847387 529792906 /nfs/dbraw/zinc/79/29/06/529792906.db2.gz PAYYVWPULXQDHY-HNNXBMFYSA-N 1 0 349.434 2.223 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115442289 282294814 /nfs/dbraw/zinc/29/48/14/282294814.db2.gz NRYARMOICHERSX-ZDUSSCGKSA-N 1 0 334.420 2.075 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418787557 529933738 /nfs/dbraw/zinc/93/37/38/529933738.db2.gz JCXBPXYJSHVQFN-BZUAXINKSA-N 1 0 346.431 2.167 20 5 EEBDRO C[NH+](C)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117796947 202040835 /nfs/dbraw/zinc/04/08/35/202040835.db2.gz YCXPMUFPJWZSQU-UHFFFAOYSA-N 1 0 325.796 2.343 20 5 EEBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087507 240359929 /nfs/dbraw/zinc/35/99/29/240359929.db2.gz OIFNCSDQKOEBLW-GWCFXTLKSA-N 1 0 347.337 2.470 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000193096857 240017233 /nfs/dbraw/zinc/01/72/33/240017233.db2.gz AUPCRMFODQGMAB-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO Cn1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102185 241375983 /nfs/dbraw/zinc/37/59/83/241375983.db2.gz FJBWWXPJZFPXPO-PBHICJAKSA-N 1 0 341.415 2.179 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)o2)cc1 ZINC000447985565 242349363 /nfs/dbraw/zinc/34/93/63/242349363.db2.gz GNAJGHMXVZKAJG-RDJZCZTQSA-N 1 0 332.356 2.484 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449714163 242612784 /nfs/dbraw/zinc/61/27/84/242612784.db2.gz ZUBXUPHWPFXGAG-TZMCWYRMSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000451547152 243154537 /nfs/dbraw/zinc/15/45/37/243154537.db2.gz KIQAYWRTNANUDV-MRXNPFEDSA-N 1 0 347.415 2.023 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451534636 243149063 /nfs/dbraw/zinc/14/90/63/243149063.db2.gz XXMWFHZWSFLWTI-FRFSOERESA-N 1 0 338.404 2.081 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857738 203058949 /nfs/dbraw/zinc/05/89/49/203058949.db2.gz YYBYSHVEXWUAHI-OAHLLOKOSA-N 1 0 349.431 2.148 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000077315028 216869132 /nfs/dbraw/zinc/86/91/32/216869132.db2.gz DQZPANCYOGRYKR-OAHLLOKOSA-N 1 0 346.431 2.402 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072834325 203245992 /nfs/dbraw/zinc/24/59/92/203245992.db2.gz XHFAFVAEPSAVSI-BBRMVZONSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H]1C[NH+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000087034327 203554815 /nfs/dbraw/zinc/55/48/15/203554815.db2.gz ZXZSIMVWDKFXKY-GJZGRUSLSA-N 1 0 349.431 2.143 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000262613087 245066160 /nfs/dbraw/zinc/06/61/60/245066160.db2.gz ZFLGUCZHZWQQQI-CQSZACIVSA-N 1 0 335.404 2.388 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763414 245240423 /nfs/dbraw/zinc/24/04/23/245240423.db2.gz OALJNNWMMHUKHR-HRCADAONSA-N 1 0 345.399 2.247 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C1CC1 ZINC000101958593 204026874 /nfs/dbraw/zinc/02/68/74/204026874.db2.gz DUPQYFVHUNFLMR-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487519590 245587064 /nfs/dbraw/zinc/58/70/64/245587064.db2.gz RULKJQSNUPYOMX-ZANVPECISA-N 1 0 345.321 2.428 20 5 EEBDRO Cc1c(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000264946542 247074274 /nfs/dbraw/zinc/07/42/74/247074274.db2.gz XFWSTZNNNIIESS-SECBINFHSA-N 1 0 338.364 2.190 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000265155561 247254101 /nfs/dbraw/zinc/25/41/01/247254101.db2.gz UNZZNPPYWRBMCR-AWEZNQCLSA-N 1 0 346.431 2.400 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000162063320 206382208 /nfs/dbraw/zinc/38/22/08/206382208.db2.gz YKXTVBYPRSNGKM-UHFFFAOYSA-N 1 0 345.403 2.193 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000266499854 248332606 /nfs/dbraw/zinc/33/26/06/248332606.db2.gz WVFKMTBGTGHKPC-HZPDHXFCSA-N 1 0 334.351 2.128 20 5 EEBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266682710 248409087 /nfs/dbraw/zinc/40/90/87/248409087.db2.gz ZUDLZCTXKFRVRG-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000172029321 206782473 /nfs/dbraw/zinc/78/24/73/206782473.db2.gz GWGZMTQXTYWMFX-AWEZNQCLSA-N 1 0 346.431 2.219 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000175553708 207137160 /nfs/dbraw/zinc/13/71/60/207137160.db2.gz OVYBCFLFPLVTBY-OCCSQVGLSA-N 1 0 332.404 2.361 20 5 EEBDRO CC1CC[NH+](CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000176814096 207263977 /nfs/dbraw/zinc/26/39/77/207263977.db2.gz BEUTYGCEOOBPTP-UHFFFAOYSA-N 1 0 332.448 2.449 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc2n1CCC2)C1CC1 ZINC000268743298 252193597 /nfs/dbraw/zinc/19/35/97/252193597.db2.gz DQFVOGWWRAVHDR-CQSZACIVSA-N 1 0 327.388 2.243 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269251663 255553513 /nfs/dbraw/zinc/55/35/13/255553513.db2.gz ZTTJYUNSFGNXMK-VIFPVBQESA-N 1 0 331.294 2.343 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[N@H+](C)C(C)C)c1F ZINC000411391294 533216774 /nfs/dbraw/zinc/21/67/74/533216774.db2.gz RHCDYANBPQZBBV-UHFFFAOYSA-N 1 0 341.383 2.132 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000270334196 256124434 /nfs/dbraw/zinc/12/44/34/256124434.db2.gz IVYLMOHQBKDQDE-HZPDHXFCSA-N 1 0 332.404 2.063 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CCCC2=O)C1 ZINC000270847117 256178754 /nfs/dbraw/zinc/17/87/54/256178754.db2.gz GCNURYZXEXLIJF-HNNXBMFYSA-N 1 0 333.388 2.190 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1=CC[N@H+](C)CC1 ZINC000273029688 256259051 /nfs/dbraw/zinc/25/90/51/256259051.db2.gz UUMYOKYIVLINIJ-GFCCVEGCSA-N 1 0 332.404 2.041 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277050751 256492944 /nfs/dbraw/zinc/49/29/44/256492944.db2.gz CKFOBQBDGFXRCE-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO CCOc1cc(C(=O)NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000052951766 292136415 /nfs/dbraw/zinc/13/64/15/292136415.db2.gz DGWOSKJYTFHHBJ-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290854 159150494 /nfs/dbraw/zinc/15/04/94/159150494.db2.gz WPIRUCXSOHPBEA-HNNXBMFYSA-N 1 0 346.431 2.387 20 5 EEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087133778 159172535 /nfs/dbraw/zinc/17/25/35/159172535.db2.gz ZQTDOQKSOPFPSD-ZDUSSCGKSA-N 1 0 334.420 2.393 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237665209 160223767 /nfs/dbraw/zinc/22/37/67/160223767.db2.gz AYKXXIWPZSGGMA-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000247496043 160326550 /nfs/dbraw/zinc/32/65/50/160326550.db2.gz LHIXDIFUZSHEDL-ZBFHGGJFSA-N 1 0 340.445 2.408 20 5 EEBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248449796 160347164 /nfs/dbraw/zinc/34/71/64/160347164.db2.gz IJIYPPHVUVEKAD-DZGCQCFKSA-N 1 0 331.372 2.423 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000342107335 161039858 /nfs/dbraw/zinc/03/98/58/161039858.db2.gz QAGDXNYZIZDMJP-AEGPPILISA-N 1 0 343.387 2.204 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCNCC2(F)F)cc1[N+](=O)[O-] ZINC000342644578 161080260 /nfs/dbraw/zinc/08/02/60/161080260.db2.gz BYKBFSLMVFZZHW-PWSUYJOCSA-N 1 0 327.331 2.325 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000344061768 161194811 /nfs/dbraw/zinc/19/48/11/161194811.db2.gz BHGRERYUMAVIJF-JQHSSLGASA-N 1 0 331.416 2.374 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000344070021 161195742 /nfs/dbraw/zinc/19/57/42/161195742.db2.gz MDKYNGGHGVNLDE-JYJNAYRXSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344397375 161223396 /nfs/dbraw/zinc/22/33/96/161223396.db2.gz SQHRBFYTWPBMDZ-SJORKVTESA-N 1 0 333.388 2.389 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474672 161231364 /nfs/dbraw/zinc/23/13/64/161231364.db2.gz XPMCCNQELKKVOY-RAEVTNRLSA-N 1 0 347.415 2.349 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000345889244 161339925 /nfs/dbraw/zinc/33/99/25/161339925.db2.gz PMHDTDDQWQKELX-UHFFFAOYSA-N 1 0 349.435 2.361 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(OCCC[NH3+])CC1 ZINC000346685931 161391855 /nfs/dbraw/zinc/39/18/55/161391855.db2.gz RATZQOQVFPDXHE-UHFFFAOYSA-N 1 0 337.420 2.323 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352783805 162285646 /nfs/dbraw/zinc/28/56/46/162285646.db2.gz YXUSPKYOIBEFGY-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352817110 162297781 /nfs/dbraw/zinc/29/77/81/162297781.db2.gz PQYSKNRFDXCYBT-GJZGRUSLSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC1CCC1 ZINC000355531827 163221886 /nfs/dbraw/zinc/22/18/86/163221886.db2.gz LBLFQCZPUUSNRQ-WFASDCNBSA-N 1 0 335.404 2.453 20 5 EEBDRO COc1c(C(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000357043072 163609797 /nfs/dbraw/zinc/60/97/97/163609797.db2.gz GSPYYRCTDRRTIO-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO O=C(CCN1CC[NH+](C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000358973816 164026556 /nfs/dbraw/zinc/02/65/56/164026556.db2.gz XEZUSCRWTCBTDV-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO CO[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C[NH3+])C1 ZINC000359223570 164087664 /nfs/dbraw/zinc/08/76/64/164087664.db2.gz DSKINTCYYBWIPF-STQMWFEESA-N 1 0 349.412 2.388 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000359798908 164174138 /nfs/dbraw/zinc/17/41/38/164174138.db2.gz ITELQSQPBACNFP-LLVKDONJSA-N 1 0 347.371 2.430 20 5 EEBDRO COc1cc(C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000360629076 164354701 /nfs/dbraw/zinc/35/47/01/164354701.db2.gz KQBBKKDPGZXHBZ-GFCCVEGCSA-N 1 0 335.404 2.340 20 5 EEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000376212610 167283119 /nfs/dbraw/zinc/28/31/19/167283119.db2.gz VETGVGLWVPFQSC-AGUYFDCRSA-N 1 0 333.388 2.235 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246065718 292599312 /nfs/dbraw/zinc/59/93/12/292599312.db2.gz RXPWVNLQSXJNFR-BJJXKVORSA-N 1 0 335.404 2.190 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237630212 268658602 /nfs/dbraw/zinc/65/86/02/268658602.db2.gz DXYOSUWYOMOZDT-WDEREUQCSA-N 1 0 341.795 2.213 20 5 EEBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000272625730 269000871 /nfs/dbraw/zinc/00/08/71/269000871.db2.gz VLAITBHGTNHODS-QWRGUYRKSA-N 1 0 341.795 2.226 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278021390 269207604 /nfs/dbraw/zinc/20/76/04/269207604.db2.gz FKYQKLCHDPKCDZ-OAHLLOKOSA-N 1 0 332.404 2.411 20 5 EEBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000451558276 274064813 /nfs/dbraw/zinc/06/48/13/274064813.db2.gz FSWVELHISVDECK-DAXOMENPSA-N 1 0 333.388 2.057 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[NH+]1CCSCC1 ZINC000450330458 274140008 /nfs/dbraw/zinc/14/00/08/274140008.db2.gz OVHZAYCDGYJMPZ-UHFFFAOYSA-N 1 0 348.428 2.034 20 5 EEBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193013863 274171675 /nfs/dbraw/zinc/17/16/75/274171675.db2.gz CKZOKIJGJYGVTP-OAHLLOKOSA-N 1 0 338.429 2.387 20 5 EEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275304909 274238983 /nfs/dbraw/zinc/23/89/83/274238983.db2.gz BEOCGJXAYBZQQX-CYBMUJFWSA-N 1 0 348.447 2.092 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000275775164 274265370 /nfs/dbraw/zinc/26/53/70/274265370.db2.gz HQGGFKINHZYEMZ-GOEBONIOSA-N 1 0 326.368 2.390 20 5 EEBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450795692 274364948 /nfs/dbraw/zinc/36/49/48/274364948.db2.gz UTSGRKNRQLKGBV-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1C1CC1 ZINC000157731568 274391172 /nfs/dbraw/zinc/39/11/72/274391172.db2.gz ZUGYKMMTAJZOMB-VXGBXAGGSA-N 1 0 340.383 2.498 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165851228 274951283 /nfs/dbraw/zinc/95/12/83/274951283.db2.gz JNJAOGXTMFZIAP-LLVKDONJSA-N 1 0 342.193 2.311 20 5 EEBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000361077455 274989063 /nfs/dbraw/zinc/98/90/63/274989063.db2.gz BJIQKGMBPGYHSM-ZIAGYGMSSA-N 1 0 329.356 2.459 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000288540054 275068374 /nfs/dbraw/zinc/06/83/74/275068374.db2.gz KURSSSPCADETKR-DYVFJYSZSA-N 1 0 330.340 2.188 20 5 EEBDRO CCC[C@]1(CO)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288752134 275083831 /nfs/dbraw/zinc/08/38/31/275083831.db2.gz IBZWCMNPQHEVES-KRWDZBQOSA-N 1 0 338.404 2.467 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C1CCCC1 ZINC000289658092 275136470 /nfs/dbraw/zinc/13/64/70/275136470.db2.gz VUEOOSWFFDOENH-INIZCTEOSA-N 1 0 335.404 2.373 20 5 EEBDRO Cc1cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290775895 275238447 /nfs/dbraw/zinc/23/84/47/275238447.db2.gz MRHSPBWHDLRLJN-RYUDHWBXSA-N 1 0 349.412 2.463 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000290858637 275246723 /nfs/dbraw/zinc/24/67/23/275246723.db2.gz BIHXFFCRCYZHAS-CYBMUJFWSA-N 1 0 332.404 2.394 20 5 EEBDRO COCCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000290867043 275247503 /nfs/dbraw/zinc/24/75/03/275247503.db2.gz DMQWMTMUWADVRV-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291148226 275275647 /nfs/dbraw/zinc/27/56/47/275275647.db2.gz AEARJICTJQIKID-CYBMUJFWSA-N 1 0 329.360 2.067 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447456 276379440 /nfs/dbraw/zinc/37/94/40/276379440.db2.gz MAMRQADXVNFXTP-DLBZAZTESA-N 1 0 343.431 2.492 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000134130716 276445473 /nfs/dbraw/zinc/44/54/73/276445473.db2.gz HVOBQOLPPYYFEA-UHFFFAOYSA-N 1 0 336.392 2.133 20 5 EEBDRO C[C@H]([NH3+])C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000235477155 279394123 /nfs/dbraw/zinc/39/41/23/279394123.db2.gz KIVZRLIPAWGERS-QMMMGPOBSA-N 1 0 329.198 2.316 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000246465780 280245358 /nfs/dbraw/zinc/24/53/58/280245358.db2.gz ZGPDHAXYMKNXBB-KGLIPLIRSA-N 1 0 334.420 2.114 20 5 EEBDRO Cc1cc(N2CCCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000367824971 280550221 /nfs/dbraw/zinc/55/02/21/280550221.db2.gz QLVNDDOWCJIJFX-UHFFFAOYSA-N 1 0 335.385 2.076 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCCCC1 ZINC000283274970 292919637 /nfs/dbraw/zinc/91/96/37/292919637.db2.gz VYHASMZRQJUFQN-NSHDSACASA-N 1 0 338.383 2.310 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293234342 293158368 /nfs/dbraw/zinc/15/83/68/293158368.db2.gz SJBYXHMKVKBOAC-RHSMWYFYSA-N 1 0 338.404 2.081 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(N)c([N+](=O)[O-])c1 ZINC000293840101 293307611 /nfs/dbraw/zinc/30/76/11/293307611.db2.gz CMMVCOWVUHHYBC-QGZVFWFLSA-N 1 0 332.404 2.043 20 5 EEBDRO COc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000295089968 293611045 /nfs/dbraw/zinc/61/10/45/293611045.db2.gz SYOKDVJBBCKAAB-UHFFFAOYSA-N 1 0 335.404 2.484 20 5 EEBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296715289 294048202 /nfs/dbraw/zinc/04/82/02/294048202.db2.gz MKHGOTKNTVZBSI-AWEZNQCLSA-N 1 0 346.431 2.340 20 5 EEBDRO COc1ccc(OCCN2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000296812145 294073880 /nfs/dbraw/zinc/07/38/80/294073880.db2.gz UYWTUSZYCLXEBM-CQSZACIVSA-N 1 0 349.431 2.398 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000297985134 294389412 /nfs/dbraw/zinc/38/94/12/294389412.db2.gz WNNHZKFSSUVMBR-NWDGAFQWSA-N 1 0 337.376 2.041 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC000420595867 295189509 /nfs/dbraw/zinc/18/95/09/295189509.db2.gz GVWACGVGRYXKHV-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO CN(C(=O)C[NH+]1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000284814922 311520566 /nfs/dbraw/zinc/52/05/66/311520566.db2.gz QQCFTJSNSWAZPW-UHFFFAOYSA-N 1 0 347.415 2.450 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000332526048 312020522 /nfs/dbraw/zinc/02/05/22/312020522.db2.gz VJOAHHRPHZCOQK-CYBMUJFWSA-N 1 0 349.435 2.435 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414654387 313057263 /nfs/dbraw/zinc/05/72/63/313057263.db2.gz JDDRTYVUCYQNMO-SDDRHHMPSA-N 1 0 334.376 2.113 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415690477 313167803 /nfs/dbraw/zinc/16/78/03/313167803.db2.gz DUSRQNHNHNBFGG-MRVPVSSYSA-N 1 0 345.197 2.334 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416499562 313239320 /nfs/dbraw/zinc/23/93/20/313239320.db2.gz BYRJBCYMVBJIRA-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC1(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000418001461 313683881 /nfs/dbraw/zinc/68/38/81/313683881.db2.gz XRWKGFUSRBCYKZ-UHFFFAOYSA-N 1 0 340.811 2.232 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000429972069 314479411 /nfs/dbraw/zinc/47/94/11/314479411.db2.gz LAHMZAIIYNJPGA-OLZOCXBDSA-N 1 0 335.404 2.245 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000505321604 316358530 /nfs/dbraw/zinc/35/85/30/316358530.db2.gz WKWWKEVJTZJHGV-CQSZACIVSA-N 1 0 345.403 2.001 20 5 EEBDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000516175117 316540854 /nfs/dbraw/zinc/54/08/54/316540854.db2.gz DUYCQAMWFRHOBJ-AWEZNQCLSA-N 1 0 344.433 2.019 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000537324723 318015955 /nfs/dbraw/zinc/01/59/55/318015955.db2.gz FEVHQPHYOCTGJV-AWEZNQCLSA-N 1 0 335.404 2.130 20 5 EEBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537972627 318030778 /nfs/dbraw/zinc/03/07/78/318030778.db2.gz SWFLNBHKSROOHE-DOMZBBRYSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000537970543 318030859 /nfs/dbraw/zinc/03/08/59/318030859.db2.gz ZOBURYDXHZZSPJ-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000563523038 319018896 /nfs/dbraw/zinc/01/88/96/319018896.db2.gz WGNSGKXERXGBBE-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000563662662 319034622 /nfs/dbraw/zinc/03/46/22/319034622.db2.gz DCADXFOOYBWUNN-AWEZNQCLSA-N 1 0 335.404 2.089 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000572900514 319887590 /nfs/dbraw/zinc/88/75/90/319887590.db2.gz HLFUXAGLRFWRRZ-STQMWFEESA-N 1 0 346.387 2.389 20 5 EEBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191408 320004127 /nfs/dbraw/zinc/00/41/27/320004127.db2.gz DKOVZLWZJPHZEJ-NHYWBVRUSA-N 1 0 349.387 2.160 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccccc1F ZINC000576977480 320221606 /nfs/dbraw/zinc/22/16/06/320221606.db2.gz QNHRSNTUMWXBOX-AWEZNQCLSA-N 1 0 334.347 2.306 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000577172822 320238173 /nfs/dbraw/zinc/23/81/73/320238173.db2.gz FOUXRURIQLRFCL-LBPRGKRZSA-N 1 0 344.458 2.101 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000577885707 320282493 /nfs/dbraw/zinc/28/24/93/320282493.db2.gz RBLUBCKNKWKKBO-ZDUSSCGKSA-N 1 0 345.403 2.152 20 5 EEBDRO C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000578246256 320303646 /nfs/dbraw/zinc/30/36/46/320303646.db2.gz MAUMUZVRJKFHTL-LLVKDONJSA-N 1 0 325.796 2.247 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000182280913 323370999 /nfs/dbraw/zinc/37/09/99/323370999.db2.gz SQXTYTIPFNSBOA-GOEBONIOSA-N 1 0 333.388 2.031 20 5 EEBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCC1CC[NH2+]CC1 ZINC000580552827 324086344 /nfs/dbraw/zinc/08/63/44/324086344.db2.gz BHNRBOGKDDSTQT-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CC(C)(C)c1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000583182436 324608962 /nfs/dbraw/zinc/60/89/62/324608962.db2.gz WLOKEFLIDADTDF-KRWDZBQOSA-N 1 0 346.431 2.282 20 5 EEBDRO Cc1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000583824227 324742361 /nfs/dbraw/zinc/74/23/61/324742361.db2.gz WZHKAVUJJHVXET-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO COC1CC[NH+](CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612446906 449709120 /nfs/dbraw/zinc/70/91/20/449709120.db2.gz FEPYSPIAVHTIOW-UHFFFAOYSA-N 1 0 331.376 2.061 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000358281064 465036345 /nfs/dbraw/zinc/03/63/45/465036345.db2.gz ZOGLADITWIWOKJ-UHFFFAOYSA-N 1 0 338.371 2.035 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000326429599 465038191 /nfs/dbraw/zinc/03/81/91/465038191.db2.gz OKGYAZZKDHPFDV-TZMCWYRMSA-N 1 0 332.404 2.193 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000339056270 465056723 /nfs/dbraw/zinc/05/67/23/465056723.db2.gz YQCHJFHKNVBHHG-KRWDZBQOSA-N 1 0 348.355 2.104 20 5 EEBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354615414 465057023 /nfs/dbraw/zinc/05/70/23/465057023.db2.gz OKLAMYBIQAFLEC-UHFFFAOYSA-N 1 0 343.449 2.385 20 5 EEBDRO CC[C@H](c1ccccc1OC)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347552905 465089804 /nfs/dbraw/zinc/08/98/04/465089804.db2.gz DESAHUGJFAXUCJ-GDBMZVCRSA-N 1 0 348.403 2.244 20 5 EEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499007 465186943 /nfs/dbraw/zinc/18/69/43/465186943.db2.gz CDFKOOFNGWNJJW-DZGCQCFKSA-N 1 0 341.795 2.327 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)n1 ZINC000341528878 465216804 /nfs/dbraw/zinc/21/68/04/465216804.db2.gz GENYISKFJOBZSR-NWDGAFQWSA-N 1 0 336.392 2.451 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000347930988 465316147 /nfs/dbraw/zinc/31/61/47/465316147.db2.gz KSEKHZPJARENHO-AWEZNQCLSA-N 1 0 334.420 2.386 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000578962366 468284070 /nfs/dbraw/zinc/28/40/70/468284070.db2.gz MVMKUWQFGJNOLF-RBSFLKMASA-N 1 0 326.418 2.472 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074322303 462586852 /nfs/dbraw/zinc/58/68/52/462586852.db2.gz VULKMVMIFYPGMW-AWEZNQCLSA-N 1 0 346.431 2.440 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCC[C@H](C)C1 ZINC000063810168 462673154 /nfs/dbraw/zinc/67/31/54/462673154.db2.gz CXKKRSUDYOUVMD-WDEREUQCSA-N 1 0 338.383 2.166 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000154282848 462749166 /nfs/dbraw/zinc/74/91/66/462749166.db2.gz JWKFAFHUZLJKJN-UHFFFAOYSA-N 1 0 333.388 2.487 20 5 EEBDRO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000116278026 462752153 /nfs/dbraw/zinc/75/21/53/462752153.db2.gz MWMYCXFWYAWWLP-LBPRGKRZSA-N 1 0 327.812 2.401 20 5 EEBDRO Nc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000154676796 462795922 /nfs/dbraw/zinc/79/59/22/462795922.db2.gz YFSFGJVWJSGEDD-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000047632898 462807803 /nfs/dbraw/zinc/80/78/03/462807803.db2.gz BZQHSFQBUHRHNG-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065893511 462837709 /nfs/dbraw/zinc/83/77/09/462837709.db2.gz WJPGFHCEANIQDH-UHFFFAOYSA-N 1 0 344.415 2.398 20 5 EEBDRO CCC[NH+]1CCC(Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000133184884 462906483 /nfs/dbraw/zinc/90/64/83/462906483.db2.gz KMECZZRMBCKDIM-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000119615716 462915658 /nfs/dbraw/zinc/91/56/58/462915658.db2.gz SBQYINGUXBEZIU-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000119966953 462946964 /nfs/dbraw/zinc/94/69/64/462946964.db2.gz TUNSWACBICDJIZ-UHFFFAOYSA-N 1 0 345.403 2.099 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H]([NH+](C)C)C1 ZINC000077216103 462954975 /nfs/dbraw/zinc/95/49/75/462954975.db2.gz ISKXGGIJBYNFKV-NSHDSACASA-N 1 0 339.367 2.441 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000137231580 463284394 /nfs/dbraw/zinc/28/43/94/463284394.db2.gz WXMPDZNDDSWIDZ-WBVHZDCISA-N 1 0 346.431 2.263 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137873698 463301729 /nfs/dbraw/zinc/30/17/29/463301729.db2.gz HEKSCLLJTOGNGW-ZBFHGGJFSA-N 1 0 332.404 2.221 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139915784 463333422 /nfs/dbraw/zinc/33/34/22/463333422.db2.gz MLFQXCDYFYFQRH-CABCVRRESA-N 1 0 346.431 2.258 20 5 EEBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC(C)(C)C ZINC000056196658 463383832 /nfs/dbraw/zinc/38/38/32/463383832.db2.gz DVRRWBKXVWLSOY-QWRGUYRKSA-N 1 0 336.392 2.258 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124110999 463391670 /nfs/dbraw/zinc/39/16/70/463391670.db2.gz OPWGRXZTUDEEEY-UHFFFAOYSA-N 1 0 344.415 2.467 20 5 EEBDRO Cc1cnn(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000105908493 463495158 /nfs/dbraw/zinc/49/51/58/463495158.db2.gz NWJWWMVPCNWXSP-UHFFFAOYSA-N 1 0 340.387 2.290 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898569 463560978 /nfs/dbraw/zinc/56/09/78/463560978.db2.gz CTYXLILLSIQDJT-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110992658 463668576 /nfs/dbraw/zinc/66/85/76/463668576.db2.gz WATJJTQLXGYPOD-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177867808 463806258 /nfs/dbraw/zinc/80/62/58/463806258.db2.gz KKCVNQOPVVGLLS-OAHLLOKOSA-N 1 0 348.447 2.108 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261677850 463824708 /nfs/dbraw/zinc/82/47/08/463824708.db2.gz MKQYJBLENJQSRI-CQSZACIVSA-N 1 0 333.388 2.208 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177995146 463825698 /nfs/dbraw/zinc/82/56/98/463825698.db2.gz QDDGJEFHYJPQPE-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261698136 463831647 /nfs/dbraw/zinc/83/16/47/463831647.db2.gz IZXAVXNRAUNLLV-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283329710 463848537 /nfs/dbraw/zinc/84/85/37/463848537.db2.gz ZBQMTGJIGIHLBD-UHFFFAOYSA-N 1 0 326.372 2.120 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000287269028 463853217 /nfs/dbraw/zinc/85/32/17/463853217.db2.gz SENGCRKAKJVJSM-YGRLFVJLSA-N 1 0 336.367 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)n1 ZINC000178228639 463864304 /nfs/dbraw/zinc/86/43/04/463864304.db2.gz AQSNFEBKEHBFFD-SNVBAGLBSA-N 1 0 334.405 2.045 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269179619 463900707 /nfs/dbraw/zinc/90/07/07/463900707.db2.gz OHZNRCLFGJEZSV-SECBINFHSA-N 1 0 342.193 2.039 20 5 EEBDRO CCOC(=O)N1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000194841133 463940951 /nfs/dbraw/zinc/94/09/51/463940951.db2.gz SHUPOHDYRDWHOV-UHFFFAOYSA-N 1 0 347.375 2.066 20 5 EEBDRO COc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000186207656 463951695 /nfs/dbraw/zinc/95/16/95/463951695.db2.gz HCNMRZVGJBBMOT-UHFFFAOYSA-N 1 0 331.376 2.107 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000172114879 463991457 /nfs/dbraw/zinc/99/14/57/463991457.db2.gz UFAWKBZNJGQPFC-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO COCC1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000262346860 464007113 /nfs/dbraw/zinc/00/71/13/464007113.db2.gz HUCVPPCJIVCGQK-CYBMUJFWSA-N 1 0 335.404 2.097 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989267 464021342 /nfs/dbraw/zinc/02/13/42/464021342.db2.gz DPNYWBUAYZFXLM-NHYWBVRUSA-N 1 0 338.429 2.342 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000262773132 464045216 /nfs/dbraw/zinc/04/52/16/464045216.db2.gz BKQPFQGSHVWNDH-GJZGRUSLSA-N 1 0 349.434 2.411 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270057367 464173490 /nfs/dbraw/zinc/17/34/90/464173490.db2.gz GMWAECIGTBDYSH-BBRMVZONSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000292395702 464217714 /nfs/dbraw/zinc/21/77/14/464217714.db2.gz YJPWRTDWLKDWBI-STQMWFEESA-N 1 0 326.418 2.331 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236828728 464229334 /nfs/dbraw/zinc/22/93/34/464229334.db2.gz GGLAERVPPWJDGZ-UHFFFAOYSA-N 1 0 334.420 2.442 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270532742 464258602 /nfs/dbraw/zinc/25/86/02/464258602.db2.gz VQANDKJFEVIVOQ-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1cc(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000271616901 464343460 /nfs/dbraw/zinc/34/34/60/464343460.db2.gz LVVCHXYVRRYXRQ-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000174149929 464368449 /nfs/dbraw/zinc/36/84/49/464368449.db2.gz DSMXZICDLXWBHK-CQSZACIVSA-N 1 0 334.420 2.217 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264627280 464400134 /nfs/dbraw/zinc/40/01/34/464400134.db2.gz SVDSVBBHRVSAKT-PBHICJAKSA-N 1 0 346.431 2.482 20 5 EEBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237954982 464410661 /nfs/dbraw/zinc/41/06/61/464410661.db2.gz IKPKJYQKEUTAMF-AWEZNQCLSA-N 1 0 335.407 2.104 20 5 EEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189478401 464514103 /nfs/dbraw/zinc/51/41/03/464514103.db2.gz FQIJYOWGFUSRKE-MRXNPFEDSA-N 1 0 349.431 2.002 20 5 EEBDRO C[C@@H](C(=O)NCC(F)(F)F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285317743 464522046 /nfs/dbraw/zinc/52/20/46/464522046.db2.gz MQRQULTWOWYBNE-JTQLQIEISA-N 1 0 333.310 2.136 20 5 EEBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000281640969 464531734 /nfs/dbraw/zinc/53/17/34/464531734.db2.gz VPEBIULVUMEMJY-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272244517 464533959 /nfs/dbraw/zinc/53/39/59/464533959.db2.gz LCVDWHRPQZRJGZ-OCCSQVGLSA-N 1 0 342.403 2.290 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181893559 464536571 /nfs/dbraw/zinc/53/65/71/464536571.db2.gz NDGFQISHWQSJKD-CYBMUJFWSA-N 1 0 349.387 2.318 20 5 EEBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2F)nnc1C1CC[NH2+]CC1 ZINC000265477143 464574192 /nfs/dbraw/zinc/57/41/92/464574192.db2.gz RFNPHEUWUOCVPW-UHFFFAOYSA-N 1 0 337.380 2.481 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000272371690 464582089 /nfs/dbraw/zinc/58/20/89/464582089.db2.gz BPRMVIPTIUIPEJ-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182233894 464607006 /nfs/dbraw/zinc/60/70/06/464607006.db2.gz SIIUAFZLOWPKBA-LBPRGKRZSA-N 1 0 337.424 2.265 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182233872 464607157 /nfs/dbraw/zinc/60/71/57/464607157.db2.gz SIIUAFZLOWPKBA-GFCCVEGCSA-N 1 0 337.424 2.265 20 5 EEBDRO COCCOC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000294811848 464613720 /nfs/dbraw/zinc/61/37/20/464613720.db2.gz NXGDFFTVNJBEHX-UHFFFAOYSA-N 1 0 338.404 2.205 20 5 EEBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000272584035 464668304 /nfs/dbraw/zinc/66/83/04/464668304.db2.gz GZWVXULBQIEBFX-IUODEOHRSA-N 1 0 335.404 2.138 20 5 EEBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000272584038 464668878 /nfs/dbraw/zinc/66/88/78/464668878.db2.gz GZWVXULBQIEBFX-SWLSCSKDSA-N 1 0 335.404 2.138 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295196441 464741627 /nfs/dbraw/zinc/74/16/27/464741627.db2.gz BGOXPWDYMRVHOO-SWLSCSKDSA-N 1 0 335.404 2.405 20 5 EEBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000295419882 464825034 /nfs/dbraw/zinc/82/50/34/464825034.db2.gz XZUOBJMLKYHHGH-CABCVRRESA-N 1 0 335.404 2.084 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000183363099 464855270 /nfs/dbraw/zinc/85/52/70/464855270.db2.gz ZVDMLVVGCMQSBW-VXGBXAGGSA-N 1 0 349.435 2.263 20 5 EEBDRO Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000286317008 464877176 /nfs/dbraw/zinc/87/71/76/464877176.db2.gz JKDWEPGNTXEFDV-GOOCMWNKSA-N 1 0 346.431 2.399 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295593341 464895163 /nfs/dbraw/zinc/89/51/63/464895163.db2.gz WTYVBQBREQVPLV-DOMZBBRYSA-N 1 0 335.404 2.405 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559345 464960367 /nfs/dbraw/zinc/96/03/67/464960367.db2.gz TUGZQNNHUDZCAX-GOEBONIOSA-N 1 0 335.404 2.009 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268187746 464963753 /nfs/dbraw/zinc/96/37/53/464963753.db2.gz UZDMYTROBJCUCU-DOMZBBRYSA-N 1 0 332.404 2.219 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000295903871 465000669 /nfs/dbraw/zinc/00/06/69/465000669.db2.gz GTRJNTHKIWUVRL-IRXDYDNUSA-N 1 0 342.399 2.379 20 5 EEBDRO C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593916538 468432715 /nfs/dbraw/zinc/43/27/15/468432715.db2.gz PXXANHAIFMQRFH-ZFWWWQNUSA-N 1 0 334.420 2.373 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352500632 465535548 /nfs/dbraw/zinc/53/55/48/465535548.db2.gz PUQOZSSLTLTJKJ-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000352805656 465557254 /nfs/dbraw/zinc/55/72/54/465557254.db2.gz PVXSFIKBNCZBFW-XHDPSFHLSA-N 1 0 328.372 2.242 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591304179 468444229 /nfs/dbraw/zinc/44/42/29/468444229.db2.gz RFZYIGWKRQJYEA-RISCZKNCSA-N 1 0 334.376 2.209 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000353135958 465664575 /nfs/dbraw/zinc/66/45/75/465664575.db2.gz KFYMATKNAISEMO-UONOGXRCSA-N 1 0 334.372 2.234 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000330804789 465810199 /nfs/dbraw/zinc/81/01/99/465810199.db2.gz LLSQPONQNQFBDO-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301213712 465922308 /nfs/dbraw/zinc/92/23/08/465922308.db2.gz YQFPLAWZNRRYBS-CYBMUJFWSA-N 1 0 332.404 2.383 20 5 EEBDRO Cc1cccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000349024393 465925202 /nfs/dbraw/zinc/92/52/02/465925202.db2.gz DVDFHQNCSHJUGC-GFCCVEGCSA-N 1 0 326.356 2.367 20 5 EEBDRO CC(C)[N@H+](C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497577 465932152 /nfs/dbraw/zinc/93/21/52/465932152.db2.gz PNAGFXQBLLYHQU-MRXNPFEDSA-N 1 0 331.420 2.348 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346209458 465994206 /nfs/dbraw/zinc/99/42/06/465994206.db2.gz XSJJYTNSIDSMSW-JJRVBVJISA-N 1 0 346.431 2.195 20 5 EEBDRO CCOc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301603003 465995436 /nfs/dbraw/zinc/99/54/36/465995436.db2.gz WRRYMGIFCUWMOW-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO COc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346263805 466040532 /nfs/dbraw/zinc/04/05/32/466040532.db2.gz NJTQBVOSMVUXKI-WOSRLPQWSA-N 1 0 347.415 2.406 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000338354562 466053802 /nfs/dbraw/zinc/05/38/02/466053802.db2.gz KHOUTFGXOQDSOQ-AAEUAGOBSA-N 1 0 335.335 2.219 20 5 EEBDRO CCOC(=O)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000371929061 466073019 /nfs/dbraw/zinc/07/30/19/466073019.db2.gz SZDCLZDLNYAGBJ-AWEZNQCLSA-N 1 0 333.388 2.446 20 5 EEBDRO CCc1nn(C)c(NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000357543073 466118358 /nfs/dbraw/zinc/11/83/58/466118358.db2.gz CVFSJUSSHWNMGI-UHFFFAOYSA-N 1 0 327.454 2.130 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000357616888 466179794 /nfs/dbraw/zinc/17/97/94/466179794.db2.gz KDZCOIJEZVIKDC-RYUDHWBXSA-N 1 0 332.187 2.421 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340671058 466254343 /nfs/dbraw/zinc/25/43/43/466254343.db2.gz BSFGQXGUZLGWQQ-INIZCTEOSA-N 1 0 330.388 2.391 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000338607526 466255832 /nfs/dbraw/zinc/25/58/32/466255832.db2.gz ORAKWUHARRYXIG-MRXNPFEDSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367461264 466352539 /nfs/dbraw/zinc/35/25/39/466352539.db2.gz UBXHQAKWPRUSCZ-UUOJUMCQSA-N 1 0 331.416 2.139 20 5 EEBDRO Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363417612 466393220 /nfs/dbraw/zinc/39/32/20/466393220.db2.gz ABZWOMGLUUILKI-CQSZACIVSA-N 1 0 347.415 2.134 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332380063 466535627 /nfs/dbraw/zinc/53/56/27/466535627.db2.gz GHWODJNBWKNQDW-DLBZAZTESA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347317158 466559170 /nfs/dbraw/zinc/55/91/70/466559170.db2.gz IQODZHUXXSFYEA-CJNGLKHVSA-N 1 0 345.359 2.274 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000591685117 468502227 /nfs/dbraw/zinc/50/22/27/468502227.db2.gz QZTHFODWZNRCMT-TZMCWYRMSA-N 1 0 343.387 2.028 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000363891686 466647322 /nfs/dbraw/zinc/64/73/22/466647322.db2.gz UOMUNTBUHUVXIJ-MRXNPFEDSA-N 1 0 327.388 2.452 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000365177840 466734702 /nfs/dbraw/zinc/73/47/02/466734702.db2.gz LWILRFVDLYXUDT-PBHICJAKSA-N 1 0 333.388 2.389 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000423751754 466824865 /nfs/dbraw/zinc/82/48/65/466824865.db2.gz WGONUQAKJNFOOG-NSHDSACASA-N 1 0 335.282 2.003 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000373779305 466918180 /nfs/dbraw/zinc/91/81/80/466918180.db2.gz XSTNLMUTBARGHI-UWWQBHOKSA-N 1 0 349.431 2.287 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417760220 466926891 /nfs/dbraw/zinc/92/68/91/466926891.db2.gz FQMPYIXYTJYKSD-MRXNPFEDSA-N 1 0 346.431 2.311 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000423957193 466927798 /nfs/dbraw/zinc/92/77/98/466927798.db2.gz PDENOBFQAQGYOP-LLVKDONJSA-N 1 0 344.209 2.461 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411964361 466949109 /nfs/dbraw/zinc/94/91/09/466949109.db2.gz INLFTDSPZSZJFF-GOSISDBHSA-N 1 0 325.368 2.224 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000424032814 466958595 /nfs/dbraw/zinc/95/85/95/466958595.db2.gz LTGFWFBBGSYDDP-UHFFFAOYSA-N 1 0 327.406 2.007 20 5 EEBDRO C[C@@H]1C[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424053087 466964020 /nfs/dbraw/zinc/96/40/20/466964020.db2.gz NTKFXPQYCNUASN-RDBSUJKOSA-N 1 0 334.420 2.229 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000374469303 467055494 /nfs/dbraw/zinc/05/54/94/467055494.db2.gz PNMWQGIPHYGOSP-FZMZJTMJSA-N 1 0 343.387 2.182 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238166 467082354 /nfs/dbraw/zinc/08/23/54/467082354.db2.gz WZVJFFMYTORVMF-ZGKBOVNRSA-N 1 0 332.404 2.343 20 5 EEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377750675 467132508 /nfs/dbraw/zinc/13/25/08/467132508.db2.gz YFICKSGZSCPBDW-APHBUQMISA-N 1 0 329.400 2.456 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1C ZINC000427929295 467186764 /nfs/dbraw/zinc/18/67/64/467186764.db2.gz GKVUUFVCMKTHPN-LLVKDONJSA-N 1 0 329.422 2.007 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413200960 467188705 /nfs/dbraw/zinc/18/87/05/467188705.db2.gz VQXYHSYJYSVPFW-HNNXBMFYSA-N 1 0 330.388 2.300 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000378236659 467237192 /nfs/dbraw/zinc/23/71/92/467237192.db2.gz PHQWLKPSNIYDOW-MGPQQGTHSA-N 1 0 333.388 2.280 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000433006863 467283558 /nfs/dbraw/zinc/28/35/58/467283558.db2.gz IYBVWGNFILZBOU-SGMGOOAPSA-N 1 0 349.387 2.243 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000413761888 467306906 /nfs/dbraw/zinc/30/69/06/467306906.db2.gz UBQWRBPLTQHZFB-OKILXGFUSA-N 1 0 333.388 2.016 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429378581 467331928 /nfs/dbraw/zinc/33/19/28/467331928.db2.gz ADLAHMQUQYIVIL-HOTGVXAUSA-N 1 0 336.388 2.493 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000420335591 467363268 /nfs/dbraw/zinc/36/32/68/467363268.db2.gz LSYLKVLQPKLJRK-CMPLNLGQSA-N 1 0 340.811 2.246 20 5 EEBDRO COc1ccc(OCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420386478 467389751 /nfs/dbraw/zinc/38/97/51/467389751.db2.gz FWKPUMUEQYISPN-ZBFHGGJFSA-N 1 0 349.431 2.446 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000420398943 467395264 /nfs/dbraw/zinc/39/52/64/467395264.db2.gz HGLGIOJOVMXKJV-QWRGUYRKSA-N 1 0 340.811 2.103 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420451109 467412100 /nfs/dbraw/zinc/41/21/00/467412100.db2.gz VDJSNZFMLIGGSS-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414946700 467456669 /nfs/dbraw/zinc/45/66/69/467456669.db2.gz JUZAABHBLUEHFD-MRVPVSSYSA-N 1 0 332.307 2.445 20 5 EEBDRO CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000408041921 467499463 /nfs/dbraw/zinc/49/94/63/467499463.db2.gz OZWROKNYAXUCFA-NEPJUHHUSA-N 1 0 341.433 2.006 20 5 EEBDRO CNc1nc(C(=O)N(CC[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000455194648 467645233 /nfs/dbraw/zinc/64/52/33/467645233.db2.gz GNTLFXINXXQREL-UHFFFAOYSA-N 1 0 343.387 2.240 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449566782 467662630 /nfs/dbraw/zinc/66/26/30/467662630.db2.gz PRJJLIDWONSHDU-SECBINFHSA-N 1 0 349.309 2.393 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000449612916 467671069 /nfs/dbraw/zinc/67/10/69/467671069.db2.gz PHVQAGPFDGTBPU-MRVPVSSYSA-N 1 0 341.236 2.326 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000449642908 467674729 /nfs/dbraw/zinc/67/47/29/467674729.db2.gz YBROBFWNCNHBPI-HIFRSBDPSA-N 1 0 346.431 2.442 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457207735 467777230 /nfs/dbraw/zinc/77/72/30/467777230.db2.gz NCMBYPTVNZVKEV-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO Cc1nn(CCC(=O)Nc2cc(C)cc(C[NH3+])c2)c(C)c1[N+](=O)[O-] ZINC000457369114 467809758 /nfs/dbraw/zinc/80/97/58/467809758.db2.gz HBQBCJVAOJQDSQ-UHFFFAOYSA-N 1 0 331.376 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493240691 467868799 /nfs/dbraw/zinc/86/87/99/467868799.db2.gz WPTRSIXIWJGRIN-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000493511736 467928366 /nfs/dbraw/zinc/92/83/66/467928366.db2.gz ALVGHCHBBRHYIC-JRBALWBOSA-N 1 0 335.257 2.143 20 5 EEBDRO COc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514854579 467958808 /nfs/dbraw/zinc/95/88/08/467958808.db2.gz NWPVUJAQKDQIBX-CQSZACIVSA-N 1 0 341.367 2.063 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC(F)(F)F ZINC000474039933 467990194 /nfs/dbraw/zinc/99/01/94/467990194.db2.gz HDMPACJSIQTQRK-VIFPVBQESA-N 1 0 335.282 2.438 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486945634 468014469 /nfs/dbraw/zinc/01/44/69/468014469.db2.gz YBBHBCWXHAAVLB-LBPRGKRZSA-N 1 0 331.376 2.423 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000518466991 468116374 /nfs/dbraw/zinc/11/63/74/468116374.db2.gz MDFXKMCWZQATTD-LLVKDONJSA-N 1 0 331.376 2.164 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000532542107 468123873 /nfs/dbraw/zinc/12/38/73/468123873.db2.gz DYNXCDAKMZEUNI-FZMZJTMJSA-N 1 0 343.387 2.182 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000565483211 468132319 /nfs/dbraw/zinc/13/23/19/468132319.db2.gz TVEXXQBXOWUTIX-KGLIPLIRSA-N 1 0 337.423 2.397 20 5 EEBDRO C[C@@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000576534471 468167149 /nfs/dbraw/zinc/16/71/49/468167149.db2.gz QQUMVVSOWJAEJK-GFCCVEGCSA-N 1 0 337.339 2.918 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000533194348 468178283 /nfs/dbraw/zinc/17/82/83/468178283.db2.gz ORIYTENOIUIYNQ-DZGCQCFKSA-N 1 0 332.404 2.193 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000533194350 468178982 /nfs/dbraw/zinc/17/89/82/468178982.db2.gz ORIYTENOIUIYNQ-UKRRQHHQSA-N 1 0 332.404 2.193 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000567710786 468192213 /nfs/dbraw/zinc/19/22/13/468192213.db2.gz SESSSRYIWPOIQF-LZLYRXPVSA-N 1 0 344.415 2.153 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C[C@@H]4CCCO4)CC3)ccnc21 ZINC000590078678 468212724 /nfs/dbraw/zinc/21/27/24/468212724.db2.gz WENVMALOLADEJP-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000591758005 468515496 /nfs/dbraw/zinc/51/54/96/468515496.db2.gz HRCVPFVCGJTGLP-LJQANCHMSA-N 1 0 343.427 2.220 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000600309876 468529511 /nfs/dbraw/zinc/52/95/11/468529511.db2.gz DEDRUWIOKHFXEJ-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600315254 468530416 /nfs/dbraw/zinc/53/04/16/468530416.db2.gz QPEHWZXMRMMEBQ-CQSZACIVSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594437353 468586510 /nfs/dbraw/zinc/58/65/10/468586510.db2.gz VQPGPZHSPRATSQ-FUHWJXTLSA-N 1 0 329.400 2.476 20 5 EEBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594450238 468593505 /nfs/dbraw/zinc/59/35/05/468593505.db2.gz VOXQFDVVAWOUJU-SJLPKXTDSA-N 1 0 329.400 2.476 20 5 EEBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)n2)c1 ZINC000592356784 468682392 /nfs/dbraw/zinc/68/23/92/468682392.db2.gz JNELYVQDUIEIQK-GFCCVEGCSA-N 1 0 326.316 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cc(-c3nc([C@@H]4CCC[NH2+]4)no3)n[nH]2)cc1 ZINC000592356358 468682515 /nfs/dbraw/zinc/68/25/15/468682515.db2.gz OGGXMHLBASIWBT-NSHDSACASA-N 1 0 326.316 2.459 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594801280 468691683 /nfs/dbraw/zinc/69/16/83/468691683.db2.gz MGUQFQVNEZVFEU-GFCCVEGCSA-N 1 0 341.433 2.054 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597855496 468694413 /nfs/dbraw/zinc/69/44/13/468694413.db2.gz RVMJIOAPDUKMFQ-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592435132 468697534 /nfs/dbraw/zinc/69/75/34/468697534.db2.gz RYDMCACVKRICDT-HOCLYGCPSA-N 1 0 347.394 2.127 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924857 468712556 /nfs/dbraw/zinc/71/25/56/468712556.db2.gz TVDSGVXBVUEOJX-ZDUSSCGKSA-N 1 0 335.404 2.135 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555366 468729427 /nfs/dbraw/zinc/72/94/27/468729427.db2.gz XPYOKPZYZORPQE-OLZOCXBDSA-N 1 0 332.404 2.029 20 5 EEBDRO COCc1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559290425 468736697 /nfs/dbraw/zinc/73/66/97/468736697.db2.gz DATJAFYOMWQGQA-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000601126535 468753525 /nfs/dbraw/zinc/75/35/25/468753525.db2.gz SRNVXJQVEUHHCQ-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595227756 468788913 /nfs/dbraw/zinc/78/89/13/468788913.db2.gz HBIBDKJQUKTDAF-UHFFFAOYSA-N 1 0 332.307 2.397 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598261128 468810178 /nfs/dbraw/zinc/81/01/78/468810178.db2.gz FBYNIXLFAGFRKP-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595451101 468857944 /nfs/dbraw/zinc/85/79/44/468857944.db2.gz RFARACAWLHSQNN-HOCLYGCPSA-N 1 0 326.368 2.390 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386469 468858050 /nfs/dbraw/zinc/85/80/50/468858050.db2.gz GSVOFAXTNNKLKN-GRDNDAEWSA-N 1 0 346.431 2.467 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996868 468869511 /nfs/dbraw/zinc/86/95/11/468869511.db2.gz IXBBCDAEZQKYHP-WMLDXEAASA-N 1 0 347.415 2.449 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595507385 468881817 /nfs/dbraw/zinc/88/18/17/468881817.db2.gz MFYVOKPORQMBPQ-SFHVURJKSA-N 1 0 347.415 2.379 20 5 EEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000593190042 468900311 /nfs/dbraw/zinc/90/03/11/468900311.db2.gz CYSWEMCIBHFVNN-VWYCJHECSA-N 1 0 339.367 2.296 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598541005 468907084 /nfs/dbraw/zinc/90/70/84/468907084.db2.gz LVGJUVDOBYSNOF-UHFFFAOYSA-N 1 0 349.435 2.293 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598558752 468912689 /nfs/dbraw/zinc/91/26/89/468912689.db2.gz CXTZJGNZSIMEAU-ZDUSSCGKSA-N 1 0 349.435 2.293 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598559378 468912959 /nfs/dbraw/zinc/91/29/59/468912959.db2.gz GMLVRUAOWHTPGT-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO COC(=O)c1ccnc(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598619822 468935764 /nfs/dbraw/zinc/93/57/64/468935764.db2.gz HNHGCPMJWCOOPP-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595743892 468983072 /nfs/dbraw/zinc/98/30/72/468983072.db2.gz SCOIFVIJFOSYAT-CJNGLKHVSA-N 1 0 347.415 2.483 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC[C@H](O)C2)s1 ZINC000599019612 469090317 /nfs/dbraw/zinc/09/03/17/469090317.db2.gz SKRJBRBLYNXGCB-ZDUSSCGKSA-N 1 0 347.440 2.480 20 5 EEBDRO CCCN(CCn1c(C)ncc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000602811838 469090957 /nfs/dbraw/zinc/09/09/57/469090957.db2.gz ZATUVFPGUXEHER-UHFFFAOYSA-N 1 0 326.397 2.153 20 5 EEBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602818704 469095058 /nfs/dbraw/zinc/09/50/58/469095058.db2.gz NOPVDMRMDVHBSZ-MRXNPFEDSA-N 1 0 338.408 2.011 20 5 EEBDRO [NH3+]CC12CC(C1)CN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595965321 469100445 /nfs/dbraw/zinc/10/04/45/469100445.db2.gz CLPLMDHVXAJEPV-UHFFFAOYSA-N 1 0 341.820 2.290 20 5 EEBDRO COC1(C(F)(F)F)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602847595 469115148 /nfs/dbraw/zinc/11/51/48/469115148.db2.gz XVUFWPOTEWPKCM-UHFFFAOYSA-N 1 0 336.314 2.143 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(F)c1F ZINC000601968312 469118770 /nfs/dbraw/zinc/11/87/70/469118770.db2.gz KEXRJCCEIFMYJU-LBPRGKRZSA-N 1 0 338.310 2.403 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000588311628 469138431 /nfs/dbraw/zinc/13/84/31/469138431.db2.gz ISXNUVIGORYCQI-XJKSGUPXSA-N 1 0 332.404 2.363 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066365 469158342 /nfs/dbraw/zinc/15/83/42/469158342.db2.gz NJCPSYXAKNAEMN-GJZGRUSLSA-N 1 0 333.388 2.085 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573795817 469207195 /nfs/dbraw/zinc/20/71/95/469207195.db2.gz XUJYZDIHQWGTFY-OLZOCXBDSA-N 1 0 332.404 2.138 20 5 EEBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC000611444948 469251406 /nfs/dbraw/zinc/25/14/06/469251406.db2.gz OMKDDEWJHPPJLM-CYBMUJFWSA-N 1 0 329.404 2.109 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602497917 469340220 /nfs/dbraw/zinc/34/02/20/469340220.db2.gz XVJCZPSXWVXECU-DTWKUNHWSA-N 1 0 342.193 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CCO)CCCC3)CC2)cn1 ZINC000602562605 469362754 /nfs/dbraw/zinc/36/27/54/469362754.db2.gz UZRFUBQVLCHNNK-UHFFFAOYSA-N 1 0 348.447 2.491 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000602605209 469381443 /nfs/dbraw/zinc/38/14/43/469381443.db2.gz UHVVLBKELFNBFL-KYZUINATSA-N 1 0 342.193 2.357 20 5 EEBDRO COc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603847985 469436516 /nfs/dbraw/zinc/43/65/16/469436516.db2.gz IQXJCXOKRAIDMC-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000619564027 469640212 /nfs/dbraw/zinc/64/02/12/469640212.db2.gz FPEFJQYGORGSNL-CQSZACIVSA-N 1 0 335.404 2.271 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000618467855 469994863 /nfs/dbraw/zinc/99/48/63/469994863.db2.gz LUXJUQFGODTYEH-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000451625066 536466995 /nfs/dbraw/zinc/46/69/95/536466995.db2.gz ORMZRTNUWBWNSX-CJNGLKHVSA-N 1 0 328.372 2.386 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187555259 528121294 /nfs/dbraw/zinc/12/12/94/528121294.db2.gz QYRPVVSQMNYPLI-UHFFFAOYSA-N 1 0 338.408 2.135 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000236864488 535354707 /nfs/dbraw/zinc/35/47/07/535354707.db2.gz PYBBUOHXFSKCPP-NSHDSACASA-N 1 0 338.364 2.367 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763416 536809152 /nfs/dbraw/zinc/80/91/52/536809152.db2.gz OALJNNWMMHUKHR-OWCLPIDISA-N 1 0 345.399 2.247 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730804210 577058277 /nfs/dbraw/zinc/05/82/77/577058277.db2.gz FFXGLLHELJNZOL-AWEZNQCLSA-N 1 0 346.387 2.020 20 5 EEBDRO COc1ccc([C@@H](CO)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776581696 577463126 /nfs/dbraw/zinc/46/31/26/577463126.db2.gz HRICODFSXJRFKT-QZTJIDSGSA-N 1 0 346.383 2.302 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581333 577463174 /nfs/dbraw/zinc/46/31/74/577463174.db2.gz CXRUUSSBWODWRS-DLBZAZTESA-N 1 0 347.415 2.105 20 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ZINC000756950051 577853689 /nfs/dbraw/zinc/85/36/89/577853689.db2.gz AOQIKWNKOHLGMR-NSHDSACASA-N 1 0 338.795 2.284 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000757786352 577864044 /nfs/dbraw/zinc/86/40/44/577864044.db2.gz DGNZVMVBZGXMGD-QMTHXVAHSA-N 1 0 334.376 2.208 20 5 EEBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954789 577984629 /nfs/dbraw/zinc/98/46/29/577984629.db2.gz YPOSLJPHSCCDHC-CQSZACIVSA-N 1 0 344.419 2.166 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001021773503 676433458 /nfs/dbraw/zinc/43/34/58/676433458.db2.gz RGUHLWNWDDXYRG-OKILXGFUSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1noc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021822122 676502379 /nfs/dbraw/zinc/50/23/79/676502379.db2.gz VLGFTUZGQOAHOD-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001021930469 676551383 /nfs/dbraw/zinc/55/13/83/676551383.db2.gz HXEYJXMUSVYYPY-OKILXGFUSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063688 676628105 /nfs/dbraw/zinc/62/81/05/676628105.db2.gz HBVZRHSQPCRXAF-LXTVHRRPSA-N 1 0 337.807 2.050 20 5 EEBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000933430336 676671480 /nfs/dbraw/zinc/67/14/80/676671480.db2.gz NIDZACKDJSKEQP-QGZVFWFLSA-N 1 0 331.372 2.082 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCC3(C)CC3)c2)CC1 ZINC000934041739 677767102 /nfs/dbraw/zinc/76/71/02/677767102.db2.gz HJQLMXLUYJZTPO-UHFFFAOYSA-N 1 0 347.419 2.268 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ncccc1F ZINC001022888988 678727243 /nfs/dbraw/zinc/72/72/43/678727243.db2.gz VFKHQZLHWNKVQK-BETUJISGSA-N 1 0 344.346 2.180 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000983016198 681663276 /nfs/dbraw/zinc/66/32/76/681663276.db2.gz RTMINVHNVOIQKL-KOMQPUFPSA-N 1 0 340.383 2.288 20 5 EEBDRO COc1c(O)ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894413302 682867388 /nfs/dbraw/zinc/86/73/88/682867388.db2.gz LVZJVOHGVVXISE-GXTWGEPZSA-N 1 0 335.404 2.368 20 5 EEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262030884 682908333 /nfs/dbraw/zinc/90/83/33/682908333.db2.gz OBLSCQYDMNGKDM-AWEZNQCLSA-N 1 0 335.795 2.128 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000892783021 683041734 /nfs/dbraw/zinc/04/17/34/683041734.db2.gz YZZNYHSJSWZVDM-UHFFFAOYSA-N 1 0 338.408 2.300 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000894954415 683432872 /nfs/dbraw/zinc/43/28/72/683432872.db2.gz CGCDRLDRDGPFGP-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895245222 684369210 /nfs/dbraw/zinc/36/92/10/684369210.db2.gz DLUPLHHXCJQCLT-BXKDBHETSA-N 1 0 347.341 2.055 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC001059819410 689930031 /nfs/dbraw/zinc/93/00/31/689930031.db2.gz GXASMGKNGUXHCV-OKILXGFUSA-N 1 0 346.431 2.386 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)cc1 ZINC000054495824 690843272 /nfs/dbraw/zinc/84/32/72/690843272.db2.gz GKURXSCMQUAJEN-ZDUSSCGKSA-N 1 0 343.387 2.312 20 5 EEBDRO COc1cc(CNCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000898035109 691857456 /nfs/dbraw/zinc/85/74/56/691857456.db2.gz LKAIVFOFGZXGSK-UHFFFAOYSA-N 1 0 337.420 2.434 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCOc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC000905613097 1189818261 /nfs/dbraw/zinc/81/82/61/1189818261.db2.gz SVSLYSAFRZULSI-UHFFFAOYSA-N 1 0 343.383 2.462 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cocn1 ZINC001034605760 1196418649 /nfs/dbraw/zinc/41/86/49/1196418649.db2.gz MZYYABLVYKICMI-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000865059134 1198067982 /nfs/dbraw/zinc/06/79/82/1198067982.db2.gz SBTJZCSUSXMIQI-AWEZNQCLSA-N 1 0 335.379 2.363 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876688343 1199722782 /nfs/dbraw/zinc/72/27/82/1199722782.db2.gz ROYFVCYKBFYDTA-MSOLQXFVSA-N 1 0 333.432 2.243 20 5 EEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000810849110 1199764426 /nfs/dbraw/zinc/76/44/26/1199764426.db2.gz ZWTVJUFKRLZKOZ-NEPJUHHUSA-N 1 0 348.355 2.150 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000877345106 1199909347 /nfs/dbraw/zinc/90/93/47/1199909347.db2.gz VWIFSXVBDLJNOO-INIZCTEOSA-N 1 0 325.368 2.348 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000877347079 1199910213 /nfs/dbraw/zinc/91/02/13/1199910213.db2.gz QILKHVNDVISJFL-HNNXBMFYSA-N 1 0 340.383 2.081 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877783236 1200101023 /nfs/dbraw/zinc/10/10/23/1200101023.db2.gz KSDXTUOWFWBJJL-UHFFFAOYSA-N 1 0 333.388 2.096 20 5 EEBDRO Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000795141961 1200885919 /nfs/dbraw/zinc/88/59/19/1200885919.db2.gz ZMECDUCTSPIIDH-VXGBXAGGSA-N 1 0 327.812 2.448 20 5 EEBDRO COC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040786 1201360792 /nfs/dbraw/zinc/36/07/92/1201360792.db2.gz KBXYEJGLMRAMHV-CZUORRHYSA-N 1 0 336.388 2.293 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209500 1201422615 /nfs/dbraw/zinc/42/26/15/1201422615.db2.gz VKDNOWMQTDIIBZ-INIZCTEOSA-N 1 0 349.431 2.207 20 5 EEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880241270 1201432902 /nfs/dbraw/zinc/43/29/02/1201432902.db2.gz ULEUXAGLORNREA-UHFFFAOYSA-N 1 0 325.340 2.366 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccco1 ZINC000866221123 1201468789 /nfs/dbraw/zinc/46/87/89/1201468789.db2.gz NHNWIZDKAIRRPM-LLVKDONJSA-N 1 0 335.335 2.278 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCCS(C)(=O)=O ZINC000866344323 1201496582 /nfs/dbraw/zinc/49/65/82/1201496582.db2.gz VRONPCQUIIRPIQ-GFCCVEGCSA-N 1 0 346.424 2.469 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866777013 1201603773 /nfs/dbraw/zinc/60/37/73/1201603773.db2.gz NQSDSAJANHJYHN-DZGCQCFKSA-N 1 0 335.379 2.219 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866810110 1201610320 /nfs/dbraw/zinc/61/03/20/1201610320.db2.gz PDJPIVKPBDUWKR-UHFFFAOYSA-N 1 0 348.808 2.359 20 5 EEBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881877654 1201781248 /nfs/dbraw/zinc/78/12/48/1201781248.db2.gz XOGTZERKKFGLAW-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO CC(C)OCC[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882048841 1201808111 /nfs/dbraw/zinc/80/81/11/1201808111.db2.gz UIZBAFHFIVZGDP-UHFFFAOYSA-N 1 0 326.372 2.430 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000884351059 1202299383 /nfs/dbraw/zinc/29/93/83/1202299383.db2.gz IMDDGJMJKJXEOV-QZTJIDSGSA-N 1 0 349.434 2.397 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C[C@H]3CCCO3)CC2)cc1 ZINC000886668778 1202541743 /nfs/dbraw/zinc/54/17/43/1202541743.db2.gz ZHQPMYZWCNBGQZ-MAUKXSAKSA-N 1 0 349.431 2.083 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095423596 1205733356 /nfs/dbraw/zinc/73/33/56/1205733356.db2.gz DBVKOVZFSXMGGR-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H](C(=O)NCc1cc(N(C)C)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000927698753 1206292179 /nfs/dbraw/zinc/29/21/79/1206292179.db2.gz DMOYXTADNFWHOJ-GFCCVEGCSA-N 1 0 328.372 2.476 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929618383 1206490156 /nfs/dbraw/zinc/49/01/56/1206490156.db2.gz PWGVUYWNFLYFCE-IAGOWNOFSA-N 1 0 329.400 2.441 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000931047516 1206602786 /nfs/dbraw/zinc/60/27/86/1206602786.db2.gz ZZPNQFZGLNULNP-ZWNOBZJWSA-N 1 0 340.811 2.211 20 5 EEBDRO C[NH+](C)CC1(O)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000931485475 1207394510 /nfs/dbraw/zinc/39/45/10/1207394510.db2.gz JTCOTBROBNFMGH-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495338 1207616633 /nfs/dbraw/zinc/61/66/33/1207616633.db2.gz ZZLDLACEENTGEN-MWODSPESSA-N 1 0 327.768 2.200 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC000934231950 1207927897 /nfs/dbraw/zinc/92/78/97/1207927897.db2.gz BBBQXTABKZMFKU-CYBMUJFWSA-N 1 0 328.372 2.458 20 5 EEBDRO C[NH+]1CCC(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778252817 1207981861 /nfs/dbraw/zinc/98/18/61/1207981861.db2.gz DDEJHMZDKMXQAC-UHFFFAOYSA-N 1 0 327.331 2.145 20 5 EEBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]c3=O)n2)cc1 ZINC001212937164 1214667340 /nfs/dbraw/zinc/66/73/40/1214667340.db2.gz RHOVZSWAKYOWFP-UHFFFAOYSA-N 1 0 341.327 2.474 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000795702360 1214976797 /nfs/dbraw/zinc/97/67/97/1214976797.db2.gz FAPHRSDSPPRBNY-OLZOCXBDSA-N 1 0 346.387 2.019 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000796449090 1218197604 /nfs/dbraw/zinc/19/76/04/1218197604.db2.gz KIAJKOOOZHXWDB-LBPRGKRZSA-N 1 0 338.364 2.200 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139251 1229505786 /nfs/dbraw/zinc/50/57/86/1229505786.db2.gz VVJWXTCRRQNALW-JOCBIADPSA-N 1 0 339.395 2.242 20 5 EEBDRO Cc1noc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1C ZINC001020274113 1229596406 /nfs/dbraw/zinc/59/64/06/1229596406.db2.gz XRNBAYUXGGKEBO-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119886717 1229623288 /nfs/dbraw/zinc/62/32/88/1229623288.db2.gz VSIWBEBCHDBFQF-LLVKDONJSA-N 1 0 347.462 2.009 20 5 EEBDRO COc1cn(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)cc1=O ZINC000902249292 1237285306 /nfs/dbraw/zinc/28/53/06/1237285306.db2.gz NPKHOGINNWOMOM-UHFFFAOYSA-N 1 0 331.372 2.206 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC000902488918 1237702140 /nfs/dbraw/zinc/70/21/40/1237702140.db2.gz OKSROQCWILGMCP-DZGCQCFKSA-N 1 0 334.420 2.434 20 5 EEBDRO CC(C)=CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048653381 1238199117 /nfs/dbraw/zinc/19/91/17/1238199117.db2.gz DYQOHFFVQFUHRG-IYBDPMFKSA-N 1 0 329.400 2.451 20 5 EEBDRO Cc1cc(F)ccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000674500 1240708612 /nfs/dbraw/zinc/70/86/12/1240708612.db2.gz PLTOLOUXNILSBG-IAGOWNOFSA-N 1 0 347.390 2.048 20 5 EEBDRO Cc1ccnc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001097053020 1243631419 /nfs/dbraw/zinc/63/14/19/1243631419.db2.gz HAXGWYVOOYRDQW-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101386455 1245749459 /nfs/dbraw/zinc/74/94/59/1245749459.db2.gz NWSDTNPPLYKGAD-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000827225144 1250893182 /nfs/dbraw/zinc/89/31/82/1250893182.db2.gz RQAUAWQFKHKSNB-KRWDZBQOSA-N 1 0 347.415 2.105 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCCC1 ZINC000852905715 1292230121 /nfs/dbraw/zinc/23/01/21/1292230121.db2.gz ALMJHBHVEUBBQB-UHFFFAOYSA-N 1 0 332.404 2.196 20 5 EEBDRO COc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])cc1C ZINC000853340788 1292359186 /nfs/dbraw/zinc/35/91/86/1292359186.db2.gz IWCKTPHBNYNAHF-HNNXBMFYSA-N 1 0 348.447 2.128 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853498715 1292400904 /nfs/dbraw/zinc/40/09/04/1292400904.db2.gz QEXHVWBWQMRLIH-HNNXBMFYSA-N 1 0 344.419 2.083 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764320 1293910768 /nfs/dbraw/zinc/91/07/68/1293910768.db2.gz OWFCNKPSIKIDTF-UHFFFAOYSA-N 1 0 331.319 2.071 20 5 EEBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858586199 1294159908 /nfs/dbraw/zinc/15/99/08/1294159908.db2.gz GXEWVRSTDTUWPF-VNHYZAJKSA-N 1 0 335.404 2.304 20 5 EEBDRO CC(C)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072382507 1295588164 /nfs/dbraw/zinc/58/81/64/1295588164.db2.gz KWHDZOYSDMXYMT-UHFFFAOYSA-N 1 0 335.379 2.377 20 5 EEBDRO C[C@@]1(O)CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000794672758 1296514125 /nfs/dbraw/zinc/51/41/25/1296514125.db2.gz NNKSNRJXEQVELF-MRXNPFEDSA-N 1 0 331.376 2.048 20 5 EEBDRO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1CC[NH2+]1 ZINC001219005231 1297903674 /nfs/dbraw/zinc/90/36/74/1297903674.db2.gz HSHNMASMGUFQRZ-HNNXBMFYSA-N 1 0 336.395 2.257 20 5 EEBDRO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC001102199664 1300551519 /nfs/dbraw/zinc/55/15/19/1300551519.db2.gz MDSJQRSZJWWRED-GASCZTMLSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)nc1 ZINC001225634011 1301104620 /nfs/dbraw/zinc/10/46/20/1301104620.db2.gz CRBUJHYKPXCMLO-MRXNPFEDSA-N 1 0 329.356 2.270 20 5 EEBDRO O=C(NC1CC[NH+](CC/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001227257621 1301751924 /nfs/dbraw/zinc/75/19/24/1301751924.db2.gz CLNNZQVFIMHUCI-JKPUVNEQSA-N 1 0 343.427 2.336 20 5 EEBDRO COCC1(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001228285485 1302188622 /nfs/dbraw/zinc/18/86/22/1302188622.db2.gz OBBPCLKOBGGKLW-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO COCC(C)(C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228294094 1302193072 /nfs/dbraw/zinc/19/30/72/1302193072.db2.gz OEECBGKIAMLJIP-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO O=[N+]([O-])c1c[n+]([O-])ccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001229454628 1302791697 /nfs/dbraw/zinc/79/16/97/1302791697.db2.gz OOOUPUGUMSBZKE-UHFFFAOYSA-N 1 0 329.356 2.272 20 5 EEBDRO COC(=O)c1cc(O[C@@H]2CCC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229941658 1302993342 /nfs/dbraw/zinc/99/33/42/1302993342.db2.gz KSAOUSWHWWSCRI-SNVBAGLBSA-N 1 0 326.324 2.384 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CCC1 ZINC001111842102 1303982306 /nfs/dbraw/zinc/98/23/06/1303982306.db2.gz AAUBOSIYMITZBH-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000783676044 1304324422 /nfs/dbraw/zinc/32/44/22/1304324422.db2.gz LSEPNRQHVSYMEE-CQSZACIVSA-N 1 0 328.752 2.060 20 5 EEBDRO Cc1nc(NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001112360249 1304491726 /nfs/dbraw/zinc/49/17/26/1304491726.db2.gz KFOILQNWHSBSGJ-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000797433544 1304740837 /nfs/dbraw/zinc/74/08/37/1304740837.db2.gz GPWPEAKHFMLMNW-CYBMUJFWSA-N 1 0 334.351 2.130 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001119309322 1309043982 /nfs/dbraw/zinc/04/39/82/1309043982.db2.gz VJZKVAAKBIFPSE-OAHLLOKOSA-N 1 0 344.419 2.380 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C1 ZINC001121296084 1309972569 /nfs/dbraw/zinc/97/25/69/1309972569.db2.gz DQEIFVWHEQYOIB-GFCCVEGCSA-N 1 0 348.407 2.151 20 5 EEBDRO COc1cc(N2CCC(N3CC[C@H]4[NH2+]CC[C@H]43)CC2)ccc1[N+](=O)[O-] ZINC001246640306 1310367329 /nfs/dbraw/zinc/36/73/29/1310367329.db2.gz SATCVAIVKSHJNN-HZPDHXFCSA-N 1 0 346.431 2.008 20 5 EEBDRO Cn1ccc2cc(CNc3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])ccc21 ZINC001162169030 1320772524 /nfs/dbraw/zinc/77/25/24/1320772524.db2.gz WMOBKEMCDYAZBH-UHFFFAOYSA-N 1 0 338.371 2.175 20 5 EEBDRO CO[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000840126554 1315303071 /nfs/dbraw/zinc/30/30/71/1315303071.db2.gz PQGPYEQYCZGAMQ-SWLSCSKDSA-N 1 0 331.376 2.168 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000841856574 1315624725 /nfs/dbraw/zinc/62/47/25/1315624725.db2.gz SMGIDBKEJIIFGG-NOZJJQNGSA-N 1 0 326.784 2.127 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841926001 1315639021 /nfs/dbraw/zinc/63/90/21/1315639021.db2.gz XWDAOEVNSRNPIP-UHFFFAOYSA-N 1 0 342.399 2.438 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000842617878 1315733949 /nfs/dbraw/zinc/73/39/49/1315733949.db2.gz RIPLMOATPGBXEF-OCCSQVGLSA-N 1 0 347.371 2.351 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000843087305 1315838703 /nfs/dbraw/zinc/83/87/03/1315838703.db2.gz LOTCJPBOQPJELK-CQSZACIVSA-N 1 0 333.344 2.148 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCCc2nc(C3CC[NH2+]CC3)no2)cc1 ZINC000843136977 1315852004 /nfs/dbraw/zinc/85/20/04/1315852004.db2.gz OSIUOOXPYKCMMR-UHFFFAOYSA-N 1 0 331.376 2.490 20 5 EEBDRO C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C1CC[NH2+]CC1 ZINC000843192739 1315863917 /nfs/dbraw/zinc/86/39/17/1315863917.db2.gz YIBZDTJDRLPFHD-LLVKDONJSA-N 1 0 331.376 2.142 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C2CC2)cn1 ZINC001149512785 1315980399 /nfs/dbraw/zinc/98/03/99/1315980399.db2.gz HSOWKKXJWXDGBX-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO COc1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)ccn1 ZINC001249341774 1317057048 /nfs/dbraw/zinc/05/70/48/1317057048.db2.gz AENYSMRSSSDRJL-GFCCVEGCSA-N 1 0 341.327 2.291 20 5 EEBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001155254794 1317523578 /nfs/dbraw/zinc/52/35/78/1317523578.db2.gz OVAFFQTYFWIZEV-QMMMGPOBSA-N 1 0 333.735 2.240 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(NCc3noc4c3C[NH2+]CC4)ccc21 ZINC001155497130 1317623528 /nfs/dbraw/zinc/62/35/28/1317623528.db2.gz HBYJIJGUHDDBTK-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001156398314 1317995265 /nfs/dbraw/zinc/99/52/65/1317995265.db2.gz AKFMLAVNMYIZLX-UHFFFAOYSA-N 1 0 348.790 2.426 20 5 EEBDRO CN(C)C(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001254472866 1318082488 /nfs/dbraw/zinc/08/24/88/1318082488.db2.gz SELLNWOFZUXRQI-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001254538724 1318115001 /nfs/dbraw/zinc/11/50/01/1318115001.db2.gz ZYIYRWAAQNBGKM-ZDUSSCGKSA-N 1 0 343.383 2.488 20 5 EEBDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589025 1318137081 /nfs/dbraw/zinc/13/70/81/1318137081.db2.gz LAFPSSWIICLTGS-RHSMWYFYSA-N 1 0 328.368 2.394 20 5 EEBDRO O=C([C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCC1 ZINC001254597421 1318138153 /nfs/dbraw/zinc/13/81/53/1318138153.db2.gz DLVYLLFSVNMNSQ-QAPCUYQASA-N 1 0 343.427 2.396 20 5 EEBDRO CN1CCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1=O ZINC001254606839 1318141906 /nfs/dbraw/zinc/14/19/06/1318141906.db2.gz IIAXYKNQHJZDLW-INIZCTEOSA-N 1 0 329.400 2.006 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084259 1318643612 /nfs/dbraw/zinc/64/36/12/1318643612.db2.gz XQQPIVPXMKRDMJ-CZUORRHYSA-N 1 0 349.431 2.323 20 5 EEBDRO COc1cc2ncnc(N3CCC[C@@](C)(C[NH3+])C3)c2cc1[N+](=O)[O-] ZINC001158678115 1319372163 /nfs/dbraw/zinc/37/21/63/1319372163.db2.gz CBWWGMJJLBEWIR-INIZCTEOSA-N 1 0 331.376 2.112 20 5 EEBDRO Cc1cc(Cl)nc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001159239339 1319700349 /nfs/dbraw/zinc/70/03/49/1319700349.db2.gz FHHHYOHCQOTDSF-GPCCPHFNSA-N 1 0 344.799 2.088 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1CN1CC[NH2+]CC1 ZINC001160298652 1320127241 /nfs/dbraw/zinc/12/72/41/1320127241.db2.gz DKCWHPXPUJLBCQ-UHFFFAOYSA-N 1 0 327.388 2.447 20 5 EEBDRO CC(C)(C[NH3+])c1cn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccccc21 ZINC001160842141 1320287976 /nfs/dbraw/zinc/28/79/76/1320287976.db2.gz CMLLZSBCJWLINL-UHFFFAOYSA-N 1 0 326.356 2.408 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001161934814 1320682705 /nfs/dbraw/zinc/68/27/05/1320682705.db2.gz YXTQVAOITYSFPR-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2(c3cccnc3)CC[NH2+]CC2)c(F)c1 ZINC001162036635 1320728826 /nfs/dbraw/zinc/72/88/26/1320728826.db2.gz OYLSDVNCKGZKDC-UHFFFAOYSA-N 1 0 331.351 2.257 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162532242 1320887820 /nfs/dbraw/zinc/88/78/20/1320887820.db2.gz PQSWUUWRKXSYCU-UHFFFAOYSA-N 1 0 347.375 2.108 20 5 EEBDRO CCOc1nc(N2Cc3ccccc3C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001162744674 1320947564 /nfs/dbraw/zinc/94/75/64/1320947564.db2.gz XZFXBKDWWMVKBG-AWEZNQCLSA-N 1 0 328.372 2.279 20 5 EEBDRO O=[N+]([O-])c1c(NCC[C@@H]2CCOC23C[NH2+]C3)ccc2ncccc21 ZINC001163093793 1321033650 /nfs/dbraw/zinc/03/36/50/1321033650.db2.gz CZRWUDFODGDIAG-GFCCVEGCSA-N 1 0 328.372 2.324 20 5 EEBDRO CC(C)(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cc(Cl)ccn1 ZINC001163150280 1321051648 /nfs/dbraw/zinc/05/16/48/1321051648.db2.gz SWDIJNOLNBLQNZ-UHFFFAOYSA-N 1 0 348.794 2.467 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001163581987 1321162492 /nfs/dbraw/zinc/16/24/92/1321162492.db2.gz JJEBMQDIRKRNRB-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO CCOc1cccc(CCNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1 ZINC001163709092 1321198982 /nfs/dbraw/zinc/19/89/82/1321198982.db2.gz PJABMBSHVLCCQB-UHFFFAOYSA-N 1 0 343.387 2.125 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164072603 1321285602 /nfs/dbraw/zinc/28/56/02/1321285602.db2.gz AJVZWZHFDOFVOI-SFYZADRCSA-N 1 0 331.829 2.324 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc(CF)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490767 1321394621 /nfs/dbraw/zinc/39/46/21/1321394621.db2.gz VHCIBSLUJOOGIY-HZPDHXFCSA-N 1 0 349.406 2.197 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cnco1 ZINC001166466644 1321722848 /nfs/dbraw/zinc/72/28/48/1321722848.db2.gz BTJZWEJZMDYXET-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO COC(=O)C1(Nc2cc3ccccc3c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001166980609 1321830598 /nfs/dbraw/zinc/83/05/98/1321830598.db2.gz GAVMFUZQBONLDD-UHFFFAOYSA-N 1 0 329.356 2.455 20 5 EEBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[N@H+](CC4CC4)C3)c2c1 ZINC001306963753 1331503607 /nfs/dbraw/zinc/50/36/07/1331503607.db2.gz HJKWDPKZCBMPQG-CYBMUJFWSA-N 1 0 342.399 2.470 20 5 EEBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)cn1 ZINC001320577295 1332914418 /nfs/dbraw/zinc/91/44/18/1332914418.db2.gz XSHGKKAMLRIMDV-GFCCVEGCSA-N 1 0 335.795 2.350 20 5 EEBDRO COc1ccc(OCCN2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001323283981 1333431490 /nfs/dbraw/zinc/43/14/90/1333431490.db2.gz XWRBBVUMNIZAJO-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO COC(=O)c1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC001325714715 1333946108 /nfs/dbraw/zinc/94/61/08/1333946108.db2.gz YCNGPNGZLPXFRN-UHFFFAOYSA-N 1 0 329.356 2.347 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001326310592 1334065480 /nfs/dbraw/zinc/06/54/80/1334065480.db2.gz FUVROEPZPJCQLU-LBPRGKRZSA-N 1 0 340.811 2.390 20 5 EEBDRO COc1cccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001326346710 1334073621 /nfs/dbraw/zinc/07/36/21/1334073621.db2.gz NVOFWKGJVMOFSF-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333877647 1336159814 /nfs/dbraw/zinc/15/98/14/1336159814.db2.gz YVGUDJCRFGOKFH-CYBMUJFWSA-N 1 0 332.404 2.004 20 5 EEBDRO [NH3+]Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001335307015 1336362303 /nfs/dbraw/zinc/36/23/03/1336362303.db2.gz BFPYHZDNXOAYLZ-SJORKVTESA-N 1 0 325.368 2.473 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337536480 1336712021 /nfs/dbraw/zinc/71/20/21/1336712021.db2.gz UOVBDNJMVOKTKK-OAHLLOKOSA-N 1 0 333.388 2.158 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001341030199 1337276320 /nfs/dbraw/zinc/27/63/20/1337276320.db2.gz RTSJQTSDYFIORK-OAHLLOKOSA-N 1 0 327.384 2.464 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100707221 1338669544 /nfs/dbraw/zinc/66/95/44/1338669544.db2.gz UFUBBWIMWIPRMK-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481316 1338705898 /nfs/dbraw/zinc/70/58/98/1338705898.db2.gz XQHOLEKGWOTAKN-AWEZNQCLSA-N 1 0 329.404 2.299 20 5 EEBDRO CC(C)Oc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659640 1338737139 /nfs/dbraw/zinc/73/71/39/1338737139.db2.gz OJBOVNCTEDHQPO-CHWSQXEVSA-N 1 0 336.392 2.052 20 5 EEBDRO C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001575070851 1343728373 /nfs/dbraw/zinc/72/83/73/1343728373.db2.gz UQIWWGRISUGDFA-ZJUUUORDSA-N 1 0 345.321 2.198 20 5 EEBDRO CN(CC[NH3+])C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001578470824 1344282597 /nfs/dbraw/zinc/28/25/97/1344282597.db2.gz BBKITNQPFBNPAE-UHFFFAOYSA-N 1 0 329.356 2.205 20 5 EEBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001580277681 1344505248 /nfs/dbraw/zinc/50/52/48/1344505248.db2.gz XXFNUBVNIDWRFG-IONNQARKSA-N 1 0 334.254 2.076 20 5 EEBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001580623375 1344546068 /nfs/dbraw/zinc/54/60/68/1344546068.db2.gz SDTDUJRXPLNVPX-LLVKDONJSA-N 1 0 329.278 2.095 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001589137386 1348964410 /nfs/dbraw/zinc/96/44/10/1348964410.db2.gz ZQXKISPSZBKEEU-NSHDSACASA-N 1 0 331.380 2.060 20 5 EEBDRO CC(C)([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCOCC1 ZINC001589321949 1348982972 /nfs/dbraw/zinc/98/29/72/1348982972.db2.gz ZMQMEHZHBOHMRF-UHFFFAOYSA-N 1 0 346.391 2.070 20 5 EEBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001589981073 1349093188 /nfs/dbraw/zinc/09/31/88/1349093188.db2.gz HRUMMVMAZBHPRU-SNVBAGLBSA-N 1 0 333.396 2.163 20 5 EEBDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001603668294 1350738616 /nfs/dbraw/zinc/73/86/16/1350738616.db2.gz SHRAMEZMASSFFE-SNVBAGLBSA-N 1 0 339.359 2.208 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110596045 1369125161 /nfs/dbraw/zinc/12/51/61/1369125161.db2.gz RSRNNVZEWQLSJS-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306209 1369260817 /nfs/dbraw/zinc/26/08/17/1369260817.db2.gz AIKTWBOHVWBKHM-UHFFFAOYSA-N 1 0 341.412 2.026 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855285780 1369389320 /nfs/dbraw/zinc/38/93/20/1369389320.db2.gz CCXNDWJKBZHJCE-LBPRGKRZSA-N 1 0 334.420 2.263 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001103652772 1371047394 /nfs/dbraw/zinc/04/73/94/1371047394.db2.gz YTUGCJIRISFIJQ-HDJSIYSDSA-N 1 0 349.435 2.171 20 5 EEBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000782529781 1371307928 /nfs/dbraw/zinc/30/79/28/1371307928.db2.gz CJHIHWWVGIQSGY-AWEZNQCLSA-N 1 0 327.356 2.323 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001342093606 1372940834 /nfs/dbraw/zinc/94/08/34/1372940834.db2.gz KSOQWVUGFSGFGD-UHFFFAOYSA-N 1 0 342.399 2.066 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100546924 1373076881 /nfs/dbraw/zinc/07/68/81/1373076881.db2.gz YMQVJIRLHXRQKL-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO CCOCCC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001754623502 1406936311 /nfs/dbraw/zinc/93/63/11/1406936311.db2.gz GXTLMPQHSWOGSH-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CC[NH2+]C1 ZINC001577492369 1403657751 /nfs/dbraw/zinc/65/77/51/1403657751.db2.gz QUEVIUQSRQUZTN-MRVPVSSYSA-N 1 0 344.774 2.184 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164664316 719388413 /nfs/dbraw/zinc/38/84/13/719388413.db2.gz AZUGJYIANZJVNH-QWHCGFSZSA-N 1 0 348.790 2.316 20 5 EEBDRO CC(C)n1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001167494310 760033967 /nfs/dbraw/zinc/03/39/67/760033967.db2.gz CMRYYCFMPOIDFR-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167692751 761667359 /nfs/dbraw/zinc/66/73/59/761667359.db2.gz TXIIQCRRZLLXMV-UHFFFAOYSA-N 1 0 344.371 2.279 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H](C(F)(F)F)C[NH2+]2)n1 ZINC001211656536 769596618 /nfs/dbraw/zinc/59/66/18/769596618.db2.gz HWBDDPDWJSHNJQ-VDTYLAMSSA-N 1 0 347.228 2.392 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c1C ZINC000237667931 774104705 /nfs/dbraw/zinc/10/47/05/774104705.db2.gz GNHITTRKJJDOGY-OAHLLOKOSA-N 1 0 349.412 2.190 20 5 EEBDRO Cn1cncc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846765184 790519144 /nfs/dbraw/zinc/51/91/44/790519144.db2.gz ZFRSMJBURSVVAI-UHFFFAOYSA-N 1 0 329.404 2.083 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCC1CCCC1)C2 ZINC000982279024 779504621 /nfs/dbraw/zinc/50/46/21/779504621.db2.gz YQVWHGMNMABWFI-RWQQGDIJSA-N 1 0 349.475 2.402 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001135317689 783601697 /nfs/dbraw/zinc/60/16/97/783601697.db2.gz VORRAOYLUMKSQX-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816904283 784347170 /nfs/dbraw/zinc/34/71/70/784347170.db2.gz GQPQPFCEZBZFFC-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CC(C)CC(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818981778 785349890 /nfs/dbraw/zinc/34/98/90/785349890.db2.gz WHHQEAVBOYZQBV-KRWDZBQOSA-N 1 0 349.431 2.255 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000819175876 785447464 /nfs/dbraw/zinc/44/74/64/785447464.db2.gz COEFMYUXQJTFNZ-BMFZPTHFSA-N 1 0 338.429 2.273 20 5 EEBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000819256411 785470731 /nfs/dbraw/zinc/47/07/31/785470731.db2.gz MQQZDAZSCDDVCZ-RDJZCZTQSA-N 1 0 332.404 2.391 20 5 EEBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000819256410 785470914 /nfs/dbraw/zinc/47/09/14/785470914.db2.gz MQQZDAZSCDDVCZ-NVXWUHKLSA-N 1 0 332.404 2.391 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000819210833 785473533 /nfs/dbraw/zinc/47/35/33/785473533.db2.gz YIFBCLXRIDFEFR-JKSUJKDBSA-N 1 0 336.388 2.294 20 5 EEBDRO COC(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819375354 785538745 /nfs/dbraw/zinc/53/87/45/785538745.db2.gz SXCGUBAQYKEHMM-ZDUSSCGKSA-N 1 0 336.369 2.266 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001107233161 786548581 /nfs/dbraw/zinc/54/85/81/786548581.db2.gz LPJLRNPYNQQDHS-AATRIKPKSA-N 1 0 334.420 2.328 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107391857 787105825 /nfs/dbraw/zinc/10/58/25/787105825.db2.gz OAAGSMXKXRSROH-SREVYHEPSA-N 1 0 334.420 2.409 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912591871 788251941 /nfs/dbraw/zinc/25/19/41/788251941.db2.gz VAARTXRLEHXGNU-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCCCC[NH3+] ZINC000842919132 788987976 /nfs/dbraw/zinc/98/79/76/788987976.db2.gz KHAWUUUDTMNLLG-UHFFFAOYSA-N 1 0 329.422 2.009 20 5 EEBDRO Cc1c(NC(=O)CCN2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000923440216 789564461 /nfs/dbraw/zinc/56/44/61/789564461.db2.gz GBJDLPSZYCFPDY-KWCYVHTRSA-N 1 0 334.420 2.303 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923442254 789568504 /nfs/dbraw/zinc/56/85/04/789568504.db2.gz MCTQCWBWDIHJLL-SRVKXCTJSA-N 1 0 331.376 2.216 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000845734773 789928505 /nfs/dbraw/zinc/92/85/05/789928505.db2.gz ITXQAHDGGLGOSV-CQSZACIVSA-N 1 0 346.387 2.361 20 5 EEBDRO CCN1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000846097212 790061323 /nfs/dbraw/zinc/06/13/23/790061323.db2.gz NTYMVCQARNGRLC-AWEZNQCLSA-N 1 0 346.431 2.022 20 5 EEBDRO COc1cnc(NCc2ccccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001171281652 791403567 /nfs/dbraw/zinc/40/35/67/791403567.db2.gz LVWUNQPKQUZYPO-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO COc1ccnc(NCc2ccccc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001171283038 791436471 /nfs/dbraw/zinc/43/64/71/791436471.db2.gz JLRFTFPGGGUMPV-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO CC(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147152170 791715447 /nfs/dbraw/zinc/71/54/47/791715447.db2.gz DFWFQIXQLHFGSD-UHFFFAOYSA-N 1 0 347.415 2.054 20 5 EEBDRO CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147180603 791747111 /nfs/dbraw/zinc/74/71/11/791747111.db2.gz CSEJUQPLDKNSIX-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC001147483221 791855094 /nfs/dbraw/zinc/85/50/94/791855094.db2.gz NBJVEEHLHGAFLO-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO COc1ccsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148626461 792611757 /nfs/dbraw/zinc/61/17/57/792611757.db2.gz OTKHVXMOMBDFBR-UHFFFAOYSA-N 1 0 335.385 2.185 20 5 EEBDRO COC(=O)COc1c(C)cc(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171340510 792777863 /nfs/dbraw/zinc/77/78/63/792777863.db2.gz RKLUCIWYJYVKLF-GFCCVEGCSA-N 1 0 337.376 2.009 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[NH2+]C2CC2)CC1 ZINC000151553286 793422762 /nfs/dbraw/zinc/42/27/62/793422762.db2.gz GPHLVRIEWFHVQY-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO Cc1ccc(NCCNC(=O)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001093686078 795553814 /nfs/dbraw/zinc/55/38/14/795553814.db2.gz AHPPCVSCBFFRCJ-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO C[NH+](C)Cc1ccoc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001094073397 795914179 /nfs/dbraw/zinc/91/41/79/795914179.db2.gz UJJAFKHQXQZURP-UHFFFAOYSA-N 1 0 332.360 2.091 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094515385 796349281 /nfs/dbraw/zinc/34/92/81/796349281.db2.gz SPOSOQKRKHMXOT-UHFFFAOYSA-N 1 0 340.399 2.384 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)no1 ZINC001171782030 796743634 /nfs/dbraw/zinc/74/36/34/796743634.db2.gz WEGWJKZBTUNXCX-UHFFFAOYSA-N 1 0 338.751 2.146 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CN3CCC2CC3)c1F ZINC001173175836 797277317 /nfs/dbraw/zinc/27/73/17/797277317.db2.gz DQLHIIXTRKLVGN-FZMZJTMJSA-N 1 0 337.395 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CC(C)C)C(N)=O)c1F ZINC001173181105 797279450 /nfs/dbraw/zinc/27/94/50/797279450.db2.gz ATNWDNPADAYWLX-PWSUYJOCSA-N 1 0 341.383 2.163 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1F ZINC001173181324 797279607 /nfs/dbraw/zinc/27/96/07/797279607.db2.gz OMZKOWPRZPNVPA-SUHUHFCYSA-N 1 0 344.358 2.468 20 5 EEBDRO COC(=O)[C@@H](C)N(C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188861 797281074 /nfs/dbraw/zinc/28/10/74/797281074.db2.gz HONXKRYEPUCVAT-NXEZZACHSA-N 1 0 328.340 2.167 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095180780 797490892 /nfs/dbraw/zinc/49/08/92/797490892.db2.gz FHCGHCQWFYCZHL-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO C[NH+](C)CCCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001095233403 797564931 /nfs/dbraw/zinc/56/49/31/797564931.db2.gz VUUMUWVZJCUXCA-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CN1CC[NH2+]C[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212223987 798094159 /nfs/dbraw/zinc/09/41/59/798094159.db2.gz AXRFJZVHATXIJG-HNNXBMFYSA-N 1 0 346.394 2.409 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110193765 798368464 /nfs/dbraw/zinc/36/84/64/798368464.db2.gz WVZFLRYNRCSLGA-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO Cc1c[nH]nc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002752371 798555071 /nfs/dbraw/zinc/55/50/71/798555071.db2.gz LEJREPUTDCZEAA-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=C(NCCCCCC[NH2+]C/C(Cl)=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458655 799484228 /nfs/dbraw/zinc/48/42/28/799484228.db2.gz QFGQZPYMJIMBJG-BXAYLQTHSA-N 1 0 338.235 2.237 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnon1 ZINC001179860325 800147308 /nfs/dbraw/zinc/14/73/08/800147308.db2.gz FSTSBZCKWIBLDJ-UHFFFAOYSA-N 1 0 347.375 2.058 20 5 EEBDRO CC1(C)CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)C1 ZINC000946589194 801539736 /nfs/dbraw/zinc/53/97/36/801539736.db2.gz LNIWCDJYCHRDGS-YYIAUSFCSA-N 1 0 349.475 2.258 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC001086319695 802734331 /nfs/dbraw/zinc/73/43/31/802734331.db2.gz RSYRKLVIVJMZLT-KOMQPUFPSA-N 1 0 345.399 2.274 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168977279 803542925 /nfs/dbraw/zinc/54/29/25/803542925.db2.gz JDWONMKHHPJIDF-DGAVXFQQSA-N 1 0 327.425 2.467 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001168984806 803548426 /nfs/dbraw/zinc/54/84/26/803548426.db2.gz AHGUGZXTUYBEHU-SGMGOOAPSA-N 1 0 327.425 2.277 20 5 EEBDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168985880 803548908 /nfs/dbraw/zinc/54/89/08/803548908.db2.gz VJDKGTNPERZLCN-HUUCEWRRSA-N 1 0 325.453 2.306 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168960242 803550071 /nfs/dbraw/zinc/55/00/71/803550071.db2.gz FIDZUFWAPQIWJT-OIISXLGYSA-N 1 0 345.443 2.151 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168961930 803551232 /nfs/dbraw/zinc/55/12/32/803551232.db2.gz LHIBXSMMPFSZGH-MELADBBJSA-N 1 0 327.425 2.421 20 5 EEBDRO COc1cccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168997056 803562720 /nfs/dbraw/zinc/56/27/20/803562720.db2.gz BLASXKIOFXVGMJ-CABCVRRESA-N 1 0 349.431 2.173 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169007467 803568997 /nfs/dbraw/zinc/56/89/97/803568997.db2.gz OCRZHSKCRBBWJT-MELADBBJSA-N 1 0 339.436 2.421 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)C1 ZINC001169012884 803571393 /nfs/dbraw/zinc/57/13/93/803571393.db2.gz SKAHKVOUVDSLNC-WRWGMCAJSA-N 1 0 328.306 2.159 20 5 EEBDRO O=C1Cc2ccccc2N1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169026550 803592374 /nfs/dbraw/zinc/59/23/74/803592374.db2.gz MHPZCHLSNSTDFU-YOEHRIQHSA-N 1 0 343.427 2.486 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CNC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC001170353382 809901765 /nfs/dbraw/zinc/90/17/65/809901765.db2.gz XJNKYZVNGFURBI-GFCCVEGCSA-N 1 0 349.387 2.109 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)cc(Cl)c3[N+](=O)[O-])cc2C1 ZINC001157986922 811778595 /nfs/dbraw/zinc/77/85/95/811778595.db2.gz BMVVCZFCHDGKID-SSDOTTSWSA-N 1 0 328.159 2.298 20 5 EEBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c(OCC)c2)CC[NH2+]C1 ZINC001170520892 812169485 /nfs/dbraw/zinc/16/94/85/812169485.db2.gz NXHVDPWALMQDNJ-UHFFFAOYSA-N 1 0 335.360 2.216 20 5 EEBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808216580 812522104 /nfs/dbraw/zinc/52/21/04/812522104.db2.gz BOSWEUXDWHPRMN-CQSZACIVSA-N 1 0 345.403 2.140 20 5 EEBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001131560331 812970750 /nfs/dbraw/zinc/97/07/50/812970750.db2.gz IRQJNIIBKCHHGC-UHFFFAOYSA-N 1 0 342.399 2.435 20 5 EEBDRO COc1ccc(OCCN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173787126 231033073 /nfs/dbraw/zinc/03/30/73/231033073.db2.gz FJFMHWVSBUVGNA-OAHLLOKOSA-N 1 0 349.431 2.400 20 5 EEBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000109847383 529803640 /nfs/dbraw/zinc/80/36/40/529803640.db2.gz PAYYVWPULXQDHY-OAHLLOKOSA-N 1 0 349.434 2.223 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066143497 215017001 /nfs/dbraw/zinc/01/70/01/215017001.db2.gz DFQRUYXCZMGYDP-ZDUSSCGKSA-N 1 0 348.359 2.122 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183438294 235077765 /nfs/dbraw/zinc/07/77/65/235077765.db2.gz RYMCUKGYFOCIPU-LLVKDONJSA-N 1 0 331.376 2.316 20 5 EEBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000184972427 235546221 /nfs/dbraw/zinc/54/62/21/235546221.db2.gz DCZZDVHGMZQGEP-ZNMIVQPWSA-N 1 0 344.415 2.004 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000420229851 283588142 /nfs/dbraw/zinc/58/81/42/283588142.db2.gz ONJGEFRPHOWUJZ-FPMFFAJLSA-N 1 0 329.360 2.208 20 5 EEBDRO Cc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000047386786 201108607 /nfs/dbraw/zinc/10/86/07/201108607.db2.gz MUBQJXQFUMNHPR-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO CCN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000236850804 201148233 /nfs/dbraw/zinc/14/82/33/201148233.db2.gz AVYKJFFVXPFXSS-UHFFFAOYSA-N 1 0 349.840 2.009 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419008760 239396453 /nfs/dbraw/zinc/39/64/53/239396453.db2.gz LWCGPNBUJIQDPR-UHFFFAOYSA-N 1 0 343.387 2.065 20 5 EEBDRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057567528 202724936 /nfs/dbraw/zinc/72/49/36/202724936.db2.gz PKAJYSDNTSOHSC-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO CCCN1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000421878975 240040816 /nfs/dbraw/zinc/04/08/16/240040816.db2.gz MRYATLDJKQCIKC-KKUMJFAQSA-N 1 0 349.435 2.123 20 5 EEBDRO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000193497315 240188761 /nfs/dbraw/zinc/18/87/61/240188761.db2.gz VYVBMXPODIXRJQ-MRXNPFEDSA-N 1 0 342.399 2.356 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422632202 240166026 /nfs/dbraw/zinc/16/60/26/240166026.db2.gz GJVKGSANNNUHQF-MCIONIFRSA-N 1 0 334.420 2.147 20 5 EEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000422758357 240212422 /nfs/dbraw/zinc/21/24/22/240212422.db2.gz IWNZGWUFYLZJDG-NWDGAFQWSA-N 1 0 328.372 2.261 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000422776690 240221060 /nfs/dbraw/zinc/22/10/60/240221060.db2.gz BANCQHZABOWOCK-JTQLQIEISA-N 1 0 329.809 2.209 20 5 EEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000426107782 241219440 /nfs/dbraw/zinc/21/94/40/241219440.db2.gz BIUVTHGEKQFTMC-NSHDSACASA-N 1 0 331.294 2.095 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429130745 241710472 /nfs/dbraw/zinc/71/04/72/241710472.db2.gz AQXRWAXRPOTKOM-KOLCDFICSA-N 1 0 329.784 2.115 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)F)n1 ZINC000447536867 242284765 /nfs/dbraw/zinc/28/47/65/242284765.db2.gz QSJNOAJZNMCHSA-GHMZBOCLSA-N 1 0 336.314 2.444 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)o1 ZINC000447978975 242348413 /nfs/dbraw/zinc/34/84/13/242348413.db2.gz SGAKAVPRUBBHKA-WMLDXEAASA-N 1 0 332.356 2.484 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451493504 243133522 /nfs/dbraw/zinc/13/35/22/243133522.db2.gz QJNJNPPIBJICLJ-CSMYWGQOSA-N 1 0 345.399 2.389 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000080029681 203453639 /nfs/dbraw/zinc/45/36/39/203453639.db2.gz ZHTIKMFJPCYPFN-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000110815195 204324781 /nfs/dbraw/zinc/32/47/81/204324781.db2.gz KFXCGLOZHDZYTD-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000017334043 211966771 /nfs/dbraw/zinc/96/67/71/211966771.db2.gz QVGVSCXLPUYYKJ-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO CCc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000131264855 205280914 /nfs/dbraw/zinc/28/09/14/205280914.db2.gz SOAKADGSEFTRNN-INIZCTEOSA-N 1 0 349.431 2.124 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000492072064 246288235 /nfs/dbraw/zinc/28/82/35/246288235.db2.gz HZPPUFXCSKGLSX-UMCUBORVSA-N 1 0 333.363 2.489 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237534075 291601088 /nfs/dbraw/zinc/60/10/88/291601088.db2.gz PTKPDVPCBDGKPX-ZDUSSCGKSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158745615 206206819 /nfs/dbraw/zinc/20/68/19/206206819.db2.gz QPZGLYWHLSIRQY-BLLLJJGKSA-N 1 0 335.429 2.287 20 5 EEBDRO [NH3+]C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCCC1 ZINC000159460382 206247362 /nfs/dbraw/zinc/24/73/62/206247362.db2.gz UQMQFXGPCSRHJL-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266103244 248098859 /nfs/dbraw/zinc/09/88/59/248098859.db2.gz SGYATZCGUONJGY-MEDUHNTESA-N 1 0 330.388 2.488 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000266321989 248247230 /nfs/dbraw/zinc/24/72/30/248247230.db2.gz RCSBYPQJWWLLBI-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266564253 248362150 /nfs/dbraw/zinc/36/21/50/248362150.db2.gz ZAWLRJVNJPXCIU-MSOLQXFVSA-N 1 0 344.415 2.206 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC000266623577 248387905 /nfs/dbraw/zinc/38/79/05/248387905.db2.gz MHWNBDUSFZIXHU-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000176873512 207270342 /nfs/dbraw/zinc/27/03/42/207270342.db2.gz YDQBGFCJGKOANU-LBPRGKRZSA-N 1 0 343.811 2.335 20 5 EEBDRO C[NH+](C)CCCC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181297592 207913687 /nfs/dbraw/zinc/91/36/87/207913687.db2.gz QIKIQYHHHAZASD-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268094878 256112233 /nfs/dbraw/zinc/11/22/33/256112233.db2.gz CLTPCIAHFCIZID-MKBNYLNASA-N 1 0 332.404 2.438 20 5 EEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000268137710 256117242 /nfs/dbraw/zinc/11/72/42/256117242.db2.gz JVGBSBLQESMCRK-WCQYABFASA-N 1 0 328.376 2.042 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349430 256235894 /nfs/dbraw/zinc/23/58/94/256235894.db2.gz SNRKBGKAZPCFJJ-LLVKDONJSA-N 1 0 331.319 2.329 20 5 EEBDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000271734913 256238785 /nfs/dbraw/zinc/23/87/85/256238785.db2.gz TZAZTNYDEFOIRD-NVXWUHKLSA-N 1 0 332.404 2.448 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271747232 256239834 /nfs/dbraw/zinc/23/98/34/256239834.db2.gz WUVBUOOXHIXQBU-WFASDCNBSA-N 1 0 342.417 2.049 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271747228 256239875 /nfs/dbraw/zinc/23/98/75/256239875.db2.gz WUVBUOOXHIXQBU-SWLSCSKDSA-N 1 0 342.417 2.049 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273499910 256301923 /nfs/dbraw/zinc/30/19/23/256301923.db2.gz LYTUUOFZFYJWOW-GJZGRUSLSA-N 1 0 335.429 2.247 20 5 EEBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)CC1 ZINC000115723751 152038340 /nfs/dbraw/zinc/03/83/40/152038340.db2.gz CWSXRHAHSRPAFC-UHFFFAOYSA-N 1 0 348.403 2.032 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000191730160 152271275 /nfs/dbraw/zinc/27/12/75/152271275.db2.gz YHGRJFUIYGDOGD-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262551216 152290103 /nfs/dbraw/zinc/29/01/03/152290103.db2.gz OTRPFYNTNVZZKV-MAUKXSAKSA-N 1 0 329.400 2.259 20 5 EEBDRO CNc1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361212126 153458110 /nfs/dbraw/zinc/45/81/10/153458110.db2.gz SMPVLYLQFDEYOS-ZDUSSCGKSA-N 1 0 332.404 2.194 20 5 EEBDRO CNc1c(C(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000361398549 153543819 /nfs/dbraw/zinc/54/38/19/153543819.db2.gz VIYXGYCDUZBJBY-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(CCC[NH+]3CCCCC3)C2)nc1 ZINC000125225594 292294863 /nfs/dbraw/zinc/29/48/63/292294863.db2.gz NNFOSUVSDQSINR-HNNXBMFYSA-N 1 0 333.436 2.352 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](n2ccnc2)C1 ZINC000377168472 154070482 /nfs/dbraw/zinc/07/04/82/154070482.db2.gz MIBYIVANPCSMFX-GFCCVEGCSA-N 1 0 340.343 2.145 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+](C)C)cc1 ZINC000127657291 292328697 /nfs/dbraw/zinc/32/86/97/292328697.db2.gz UHVNDHXHZHSMGJ-HNNXBMFYSA-N 1 0 344.371 2.037 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129155148 292352789 /nfs/dbraw/zinc/35/27/89/292352789.db2.gz FJLCPJDOTUUBBX-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000101952231 159258081 /nfs/dbraw/zinc/25/80/81/159258081.db2.gz YVRLKWHWCMNUIJ-LLVKDONJSA-N 1 0 343.811 2.472 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000108371634 159340170 /nfs/dbraw/zinc/34/01/70/159340170.db2.gz MIWUUHIDPYGGGD-UHFFFAOYSA-N 1 0 334.420 2.304 20 5 EEBDRO C[C@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000190324128 160157867 /nfs/dbraw/zinc/15/78/67/160157867.db2.gz HSNRFJAVXQKEOP-RYUDHWBXSA-N 1 0 340.449 2.377 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247328143 160320918 /nfs/dbraw/zinc/32/09/18/160320918.db2.gz WSHKYJMGWAPUTH-FMKPAKJESA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341724042 161008886 /nfs/dbraw/zinc/00/88/86/161008886.db2.gz VBDFWMISGXNAAM-CHWSQXEVSA-N 1 0 334.420 2.474 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342275188 161052625 /nfs/dbraw/zinc/05/26/25/161052625.db2.gz ALSASYZBFXLIQB-NWDGAFQWSA-N 1 0 326.324 2.127 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000343055460 161098942 /nfs/dbraw/zinc/09/89/42/161098942.db2.gz SSOAGQVHNIQKNR-CYBMUJFWSA-N 1 0 336.392 2.309 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000343641300 161153632 /nfs/dbraw/zinc/15/36/32/161153632.db2.gz FLXNVIWGKNMJTO-CQSZACIVSA-N 1 0 334.420 2.022 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)c1 ZINC000344036284 161192096 /nfs/dbraw/zinc/19/20/96/161192096.db2.gz SMACOWBLKUHRJY-CWRNSKLLSA-N 1 0 343.383 2.495 20 5 EEBDRO COc1ccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000344115454 161199677 /nfs/dbraw/zinc/19/96/77/161199677.db2.gz NRFITFZIONJRBA-UHFFFAOYSA-N 1 0 335.404 2.483 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000345840272 161336494 /nfs/dbraw/zinc/33/64/94/161336494.db2.gz HWHIWHCIVIAXEK-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346516025 161378719 /nfs/dbraw/zinc/37/87/19/161378719.db2.gz WFZLVDJBUZBIDF-UHFFFAOYSA-N 1 0 334.351 2.266 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360295968 164277652 /nfs/dbraw/zinc/27/76/52/164277652.db2.gz KOQKGLAMUIGLJQ-ZFWWWQNUSA-N 1 0 342.399 2.184 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000366614964 165816279 /nfs/dbraw/zinc/81/62/79/165816279.db2.gz AUMYJLKKLWDBRM-UHFFFAOYSA-N 1 0 331.376 2.107 20 5 EEBDRO Cc1cc([C@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000368738427 166118951 /nfs/dbraw/zinc/11/89/51/166118951.db2.gz VQIQSPKAMOTHCI-RHSMWYFYSA-N 1 0 347.371 2.468 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000369390897 166251308 /nfs/dbraw/zinc/25/13/08/166251308.db2.gz GHSSFLPAGLZMIZ-BLLLJJGKSA-N 1 0 333.388 2.423 20 5 EEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000369390900 166252231 /nfs/dbraw/zinc/25/22/31/166252231.db2.gz GHSSFLPAGLZMIZ-WBMJQRKESA-N 1 0 333.388 2.423 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000277388715 269152941 /nfs/dbraw/zinc/15/29/41/269152941.db2.gz DDGYALAEUQGQQR-CQSZACIVSA-N 1 0 335.404 2.134 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000277764708 269180646 /nfs/dbraw/zinc/18/06/46/269180646.db2.gz KMONLRGLQAMXSI-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000281875103 269451067 /nfs/dbraw/zinc/45/10/67/269451067.db2.gz FPPSWPVQJCAXFX-CQSZACIVSA-N 1 0 334.420 2.374 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000193333249 274058336 /nfs/dbraw/zinc/05/83/36/274058336.db2.gz QLYPJULKVVVZEP-AWEZNQCLSA-N 1 0 349.435 2.180 20 5 EEBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000285478013 274738764 /nfs/dbraw/zinc/73/87/64/274738764.db2.gz HWSJUGOFCLKVHZ-INIZCTEOSA-N 1 0 337.376 2.091 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286952485 274921270 /nfs/dbraw/zinc/92/12/70/274921270.db2.gz FOZRXAVCPUHJFR-XHDPSFHLSA-N 1 0 348.359 2.202 20 5 EEBDRO CCN(CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289409428 275114241 /nfs/dbraw/zinc/11/42/41/275114241.db2.gz HQRVQMWZTJUSKB-UHFFFAOYSA-N 1 0 325.409 2.386 20 5 EEBDRO CC[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000291591161 275320595 /nfs/dbraw/zinc/32/05/95/275320595.db2.gz LGYKOHANCQYUJU-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361570477 276352662 /nfs/dbraw/zinc/35/26/62/276352662.db2.gz WOOAZYHFZQQOOY-RYUDHWBXSA-N 1 0 339.392 2.287 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000368393449 277074254 /nfs/dbraw/zinc/07/42/54/277074254.db2.gz OGRQXBIJWJBAKP-ZDUSSCGKSA-N 1 0 338.839 2.464 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000352475970 277249864 /nfs/dbraw/zinc/24/98/64/277249864.db2.gz FVZKMSQKUNEWTC-OCCSQVGLSA-N 1 0 339.461 2.373 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000449310973 278298887 /nfs/dbraw/zinc/29/88/87/278298887.db2.gz JUPSKKCVFZSQSV-JDFRZJQESA-N 1 0 330.388 2.379 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237611425 280230243 /nfs/dbraw/zinc/23/02/43/280230243.db2.gz QMZHVTYBQLCDCU-JTQLQIEISA-N 1 0 347.824 2.059 20 5 EEBDRO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337830582 280299788 /nfs/dbraw/zinc/29/97/88/280299788.db2.gz VRJANVVTIPHZBZ-IAGOWNOFSA-N 1 0 340.383 2.439 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293983938 293343092 /nfs/dbraw/zinc/34/30/92/293343092.db2.gz NDUFKNWOVUFPAS-AOOOYVTPSA-N 1 0 343.786 2.481 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000296560048 294007055 /nfs/dbraw/zinc/00/70/55/294007055.db2.gz RUMPWCPYOQDPJQ-UHFFFAOYSA-N 1 0 346.431 2.453 20 5 EEBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297995806 294392128 /nfs/dbraw/zinc/39/21/28/294392128.db2.gz AUDJZLMCNBDKNL-UHFFFAOYSA-N 1 0 339.392 2.289 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1SC ZINC000298061297 294408916 /nfs/dbraw/zinc/40/89/16/294408916.db2.gz KDESKCYQOJBDFB-GZBFAFLISA-N 1 0 336.417 2.470 20 5 EEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411892113 312587148 /nfs/dbraw/zinc/58/71/48/312587148.db2.gz JAIYCCVTZFQLOY-QAPCUYQASA-N 1 0 341.367 2.435 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC000414641172 313054658 /nfs/dbraw/zinc/05/46/58/313054658.db2.gz HOFBCEBNWPOIPF-SECBINFHSA-N 1 0 328.332 2.185 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414961855 313116986 /nfs/dbraw/zinc/11/69/86/313116986.db2.gz ZFEGHIBYDJFMMA-UHFFFAOYSA-N 1 0 342.302 2.237 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000417715048 313574388 /nfs/dbraw/zinc/57/43/88/313574388.db2.gz IJHOXCFUZZEJDN-ZDUSSCGKSA-N 1 0 344.362 2.199 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418000873 313684227 /nfs/dbraw/zinc/68/42/27/313684227.db2.gz XHJUYIRCBOHOJW-GXFFZTMASA-N 1 0 340.811 2.217 20 5 EEBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[N@@H+]1C ZINC000421001333 314019719 /nfs/dbraw/zinc/01/97/19/314019719.db2.gz LDWIMRCEFPTISK-CQSZACIVSA-N 1 0 331.376 2.171 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000421573603 314119469 /nfs/dbraw/zinc/11/94/69/314119469.db2.gz JDCKCACUIGFXSW-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422031504 314172439 /nfs/dbraw/zinc/17/24/39/314172439.db2.gz CDLPXFJIUSNNEA-OAHLLOKOSA-N 1 0 333.388 2.110 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429969005 314478554 /nfs/dbraw/zinc/47/85/54/314478554.db2.gz HYKXNYBIEVRAPQ-QXMXGUDHSA-N 1 0 333.388 2.140 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430603417 314557074 /nfs/dbraw/zinc/55/70/74/314557074.db2.gz KCBRHJAAHFJZIT-LLVKDONJSA-N 1 0 340.811 2.118 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000451847149 315455981 /nfs/dbraw/zinc/45/59/81/315455981.db2.gz SHZRHPMOTZLQLK-PBHICJAKSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000537952960 318030849 /nfs/dbraw/zinc/03/08/49/318030849.db2.gz ZVOPMYOXKMHAIT-PJQXDXOGSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000540170660 318071652 /nfs/dbraw/zinc/07/16/52/318071652.db2.gz ITIOLBWFDNOOLW-WBMJQRKESA-N 1 0 343.387 2.093 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000541056487 318092203 /nfs/dbraw/zinc/09/22/03/318092203.db2.gz YTOQJNWPOPPLBK-KRWDZBQOSA-N 1 0 343.383 2.473 20 5 EEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(F)c1 ZINC000560871142 318816499 /nfs/dbraw/zinc/81/64/99/318816499.db2.gz HIFGVJOXYQYXTD-UHFFFAOYSA-N 1 0 348.334 2.322 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000565001482 319137298 /nfs/dbraw/zinc/13/72/98/319137298.db2.gz BGNHYKNAVJZXEV-BDAKNGLRSA-N 1 0 349.309 2.392 20 5 EEBDRO CCc1cnccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566005919 319234405 /nfs/dbraw/zinc/23/44/05/319234405.db2.gz XTHSTCIRLADLKW-HNNXBMFYSA-N 1 0 331.372 2.082 20 5 EEBDRO CN(C)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000566105991 319244837 /nfs/dbraw/zinc/24/48/37/319244837.db2.gz DCWGPNYFNDESCP-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC1(C)C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000566122489 319248037 /nfs/dbraw/zinc/24/80/37/319248037.db2.gz NBASEZKBDSPREY-KGLIPLIRSA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCSC1 ZINC000566129347 319249084 /nfs/dbraw/zinc/24/90/84/319249084.db2.gz CPWCTDPJCOZAMP-OLZOCXBDSA-N 1 0 326.418 2.067 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH3+])cc1SC ZINC000569926586 319621389 /nfs/dbraw/zinc/62/13/89/319621389.db2.gz LGOAOBXSJZZIAW-VIFPVBQESA-N 1 0 327.406 2.183 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000571875338 319795075 /nfs/dbraw/zinc/79/50/75/319795075.db2.gz MRXYULKVQGMJKP-NEPJUHHUSA-N 1 0 330.331 2.360 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCc1ccc(O)cc1 ZINC000572393753 319842101 /nfs/dbraw/zinc/84/21/01/319842101.db2.gz WHRTVLUORWQBSW-INIZCTEOSA-N 1 0 346.383 2.263 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000574220318 320006175 /nfs/dbraw/zinc/00/61/75/320006175.db2.gz FWSXFJDKISWIST-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO [NH3+][C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000575734127 320108813 /nfs/dbraw/zinc/10/88/13/320108813.db2.gz CCDDDGUZUOXPIZ-INIZCTEOSA-N 1 0 340.383 2.363 20 5 EEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444695 324065536 /nfs/dbraw/zinc/06/55/36/324065536.db2.gz QEACMPLWPLGURP-RISCZKNCSA-N 1 0 341.433 2.048 20 5 EEBDRO CC(C)NC(=O)NCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000581604865 324288093 /nfs/dbraw/zinc/28/80/93/324288093.db2.gz BINFLXFKRJFCMN-HNNXBMFYSA-N 1 0 334.420 2.482 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1Cc2ccccc2C1 ZINC000581999073 324358725 /nfs/dbraw/zinc/35/87/25/324358725.db2.gz PGQDIDURKMJESQ-MRXNPFEDSA-N 1 0 328.368 2.092 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NCCCC[NH+]3CCOCC3)n2)cc1 ZINC000486948141 447826911 /nfs/dbraw/zinc/82/69/11/447826911.db2.gz DUDKEAVXXOXZCA-UHFFFAOYSA-N 1 0 347.375 2.169 20 5 EEBDRO C[NH+](C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000281054746 464314881 /nfs/dbraw/zinc/31/48/81/464314881.db2.gz KSGNLDVLWRQXHM-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339304753 465197641 /nfs/dbraw/zinc/19/76/41/465197641.db2.gz MYKKKWFJLJOGHB-UONOGXRCSA-N 1 0 338.408 2.283 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351652864 465274935 /nfs/dbraw/zinc/27/49/35/465274935.db2.gz SZUHAFXCNXQOLT-TZMCWYRMSA-N 1 0 335.404 2.325 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000298142509 465313563 /nfs/dbraw/zinc/31/35/63/465313563.db2.gz ICLDWLRTOUUYDZ-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000578962368 468284911 /nfs/dbraw/zinc/28/49/11/468284911.db2.gz MVMKUWQFGJNOLF-ZNMIVQPWSA-N 1 0 326.418 2.472 20 5 EEBDRO C[NH+]1CCC(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074085833 462552812 /nfs/dbraw/zinc/55/28/12/462552812.db2.gz AAQSNBCRLLCDMT-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1nn(C)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000113911631 462616644 /nfs/dbraw/zinc/61/66/44/462616644.db2.gz QNZIPJMETOWDJP-UHFFFAOYSA-N 1 0 331.376 2.259 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)[NH2+]1 ZINC000153725301 462683473 /nfs/dbraw/zinc/68/34/73/462683473.db2.gz CMVXEZLPALZPFG-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO COc1ccc(OCC[N@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000089924540 462743674 /nfs/dbraw/zinc/74/36/74/462743674.db2.gz CLDVQGXTRBCDOE-UHFFFAOYSA-N 1 0 338.404 2.465 20 5 EEBDRO COc1ccc2c(c1)CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000535586999 468315662 /nfs/dbraw/zinc/31/56/62/468315662.db2.gz WNVHTRICRCKLJF-UHFFFAOYSA-N 1 0 343.383 2.214 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000154330406 462755775 /nfs/dbraw/zinc/75/57/75/462755775.db2.gz CQWOBBIJTFKUEX-UHFFFAOYSA-N 1 0 333.388 2.487 20 5 EEBDRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743337 462756494 /nfs/dbraw/zinc/75/64/94/462756494.db2.gz ZAWLRJVNJPXCIU-ROUUACIJSA-N 1 0 344.415 2.206 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000065534455 462792733 /nfs/dbraw/zinc/79/27/33/462792733.db2.gz DLZPUGTXRNSHJE-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000090553269 462797684 /nfs/dbraw/zinc/79/76/84/462797684.db2.gz IFDDGXRMRURLCH-MRXNPFEDSA-N 1 0 329.356 2.299 20 5 EEBDRO C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000047856738 462828591 /nfs/dbraw/zinc/82/85/91/462828591.db2.gz OOAAGQASSAHCQR-VIFPVBQESA-N 1 0 349.309 2.216 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000066125473 462853232 /nfs/dbraw/zinc/85/32/32/462853232.db2.gz BTKIIBQNWLUYTP-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2ccccc2[N+](=O)[O-])CC1 ZINC000066372841 462881009 /nfs/dbraw/zinc/88/10/09/462881009.db2.gz OAZCTKPBSYFLLG-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO Cn1ccnc1C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000119530625 462908618 /nfs/dbraw/zinc/90/86/18/462908618.db2.gz CGBWIWDBGHZGOG-CQSZACIVSA-N 1 0 342.399 2.352 20 5 EEBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000590754505 468327276 /nfs/dbraw/zinc/32/72/76/468327276.db2.gz DRBDANXCKCFZET-HNNXBMFYSA-N 1 0 331.372 2.170 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000120239130 462976502 /nfs/dbraw/zinc/97/65/02/462976502.db2.gz UYNJDRGWILSJOS-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO COc1ccc(CC(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000067901689 463064583 /nfs/dbraw/zinc/06/45/83/463064583.db2.gz RKYIYKWZWONZQH-UHFFFAOYSA-N 1 0 337.420 2.381 20 5 EEBDRO CC(C)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000026169207 463153393 /nfs/dbraw/zinc/15/33/93/463153393.db2.gz DNRATGFQNKXBGM-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO C[NH2+]CCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000121662319 463174013 /nfs/dbraw/zinc/17/40/13/463174013.db2.gz LSVHPEZOIWJKLI-UHFFFAOYSA-N 1 0 334.420 2.170 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCN(C)CC1 ZINC000068902195 463187821 /nfs/dbraw/zinc/18/78/21/463187821.db2.gz ZJYCFMGQLBHWKS-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](C)C1 ZINC000135785046 463197780 /nfs/dbraw/zinc/19/77/80/463197780.db2.gz VCQBGWUEXPMTNY-CQSZACIVSA-N 1 0 330.388 2.171 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158538991 463239731 /nfs/dbraw/zinc/23/97/31/463239731.db2.gz DHAWIIKFLODWPL-DOMZBBRYSA-N 1 0 343.387 2.028 20 5 EEBDRO C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000159046336 463265967 /nfs/dbraw/zinc/26/59/67/463265967.db2.gz DEJYLQJBCVIQQU-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000144589367 463377619 /nfs/dbraw/zinc/37/76/19/463377619.db2.gz DLTVDAFOWFKLTH-GOEBONIOSA-N 1 0 349.431 2.000 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000081334042 463421882 /nfs/dbraw/zinc/42/18/82/463421882.db2.gz JCGNVZFXVQOFBF-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000162021668 463477641 /nfs/dbraw/zinc/47/76/41/463477641.db2.gz QVRXMOGLEZRDAC-OAHLLOKOSA-N 1 0 345.403 2.226 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000125281167 463525558 /nfs/dbraw/zinc/52/55/58/463525558.db2.gz SVZMQMUQYQZCBA-UHFFFAOYSA-N 1 0 328.372 2.191 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000058274693 463565238 /nfs/dbraw/zinc/56/52/38/463565238.db2.gz BJHKADWMIIEUSM-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000042595548 463579179 /nfs/dbraw/zinc/57/91/79/463579179.db2.gz RWNSWCVFPJYEDC-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO Cc1c(Br)c(N2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165814012 463647544 /nfs/dbraw/zinc/64/75/44/463647544.db2.gz OJPSNFYYGJZDKF-VIFPVBQESA-N 1 0 329.198 2.378 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000276836583 463774748 /nfs/dbraw/zinc/77/47/48/463774748.db2.gz PFOMPNOBENOCMK-WFASDCNBSA-N 1 0 333.388 2.078 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000276867938 463787698 /nfs/dbraw/zinc/78/76/98/463787698.db2.gz HEGCFNOOFBTHGG-HNNXBMFYSA-N 1 0 335.404 2.342 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000268926663 463812338 /nfs/dbraw/zinc/81/23/38/463812338.db2.gz AYYDTKULOQHXJL-CVEARBPZSA-N 1 0 334.420 2.478 20 5 EEBDRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000283281107 463831575 /nfs/dbraw/zinc/83/15/75/463831575.db2.gz MBDPSIITEHCGCE-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO C[NH2+][C@@H](C)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261725436 463840501 /nfs/dbraw/zinc/84/05/01/463840501.db2.gz LCDIMSXABLPSRY-VIFPVBQESA-N 1 0 348.325 2.140 20 5 EEBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000283386313 463868069 /nfs/dbraw/zinc/86/80/69/463868069.db2.gz UBKFNUSQGPEMED-UHFFFAOYSA-N 1 0 349.387 2.341 20 5 EEBDRO CC[NH+](CC)CCSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000185779301 463877617 /nfs/dbraw/zinc/87/76/17/463877617.db2.gz JIWXDXMISCEKQH-UHFFFAOYSA-N 1 0 336.417 2.276 20 5 EEBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269194906 463904196 /nfs/dbraw/zinc/90/41/96/463904196.db2.gz LEHBAMVXZLGALB-WCQYABFASA-N 1 0 332.404 2.287 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759201 464182250 /nfs/dbraw/zinc/18/22/50/464182250.db2.gz NHDAPWZXUGJMAP-LBPRGKRZSA-N 1 0 343.387 2.491 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292408198 464221693 /nfs/dbraw/zinc/22/16/93/464221693.db2.gz VOHTYNJIXQDPJT-CYBMUJFWSA-N 1 0 341.209 2.284 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H]2CCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086975 464262155 /nfs/dbraw/zinc/26/21/55/464262155.db2.gz IFULCCYWOMPPDI-INIZCTEOSA-N 1 0 329.404 2.179 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174144289 464367775 /nfs/dbraw/zinc/36/77/75/464367775.db2.gz WKCFTJYIAIWKRG-XJKSGUPXSA-N 1 0 333.388 2.059 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281199189 464368600 /nfs/dbraw/zinc/36/86/00/464368600.db2.gz PDCPYBGSUDFMCF-NHYWBVRUSA-N 1 0 343.387 2.164 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCCC1 ZINC000237784894 464380198 /nfs/dbraw/zinc/38/01/98/464380198.db2.gz GVVOWJLBYSHACG-UHFFFAOYSA-N 1 0 343.387 2.172 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188846348 464380572 /nfs/dbraw/zinc/38/05/72/464380572.db2.gz ZJXYFGGBZCMVRZ-WBMJQRKESA-N 1 0 330.388 2.246 20 5 EEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000294303316 464460715 /nfs/dbraw/zinc/46/07/15/464460715.db2.gz IWQSAMIQSRXNJF-CQSZACIVSA-N 1 0 333.432 2.385 20 5 EEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264858675 464493302 /nfs/dbraw/zinc/49/33/02/464493302.db2.gz DIVUWYOPDOXHPS-UHFFFAOYSA-N 1 0 337.424 2.210 20 5 EEBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285381607 464543748 /nfs/dbraw/zinc/54/37/48/464543748.db2.gz ABLJQNQLLZQLBU-IUODEOHRSA-N 1 0 335.404 2.209 20 5 EEBDRO C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000272302402 464555741 /nfs/dbraw/zinc/55/57/41/464555741.db2.gz WYLHUMFOJBGQQE-TZMCWYRMSA-N 1 0 344.371 2.156 20 5 EEBDRO Cn1ccnc1[C@@H](NC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272514156 464638776 /nfs/dbraw/zinc/63/87/76/464638776.db2.gz JTEAZZIPHOSVBK-INIZCTEOSA-N 1 0 329.404 2.102 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000175883944 464650946 /nfs/dbraw/zinc/65/09/46/464650946.db2.gz WVUJCDNLVVQBFP-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+](C2CC2)C1 ZINC000294970846 464666702 /nfs/dbraw/zinc/66/67/02/464666702.db2.gz OIXKVLZCCNWGKC-LBPRGKRZSA-N 1 0 344.415 2.400 20 5 EEBDRO COc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295013667 464678418 /nfs/dbraw/zinc/67/84/18/464678418.db2.gz XVRFDUBEMGZFEL-NSHDSACASA-N 1 0 341.383 2.449 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000568979279 468416093 /nfs/dbraw/zinc/41/60/93/468416093.db2.gz YJFGLZICGDORBY-CQSZACIVSA-N 1 0 334.351 2.105 20 5 EEBDRO COc1cc(C(=O)NCCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000265982118 464759130 /nfs/dbraw/zinc/75/91/30/464759130.db2.gz ZGUMDUVNWOUASU-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO CC[N@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182967780 464768237 /nfs/dbraw/zinc/76/82/37/464768237.db2.gz VQTAOKAMTIRJPY-UHFFFAOYSA-N 1 0 331.825 2.408 20 5 EEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000282355236 464786076 /nfs/dbraw/zinc/78/60/76/464786076.db2.gz AXPJOAMROVUHQH-LBPRGKRZSA-N 1 0 325.384 2.011 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000286053383 464787907 /nfs/dbraw/zinc/78/79/07/464787907.db2.gz HXUKNFDJUFLWES-VXGBXAGGSA-N 1 0 336.392 2.309 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000266715033 464796702 /nfs/dbraw/zinc/79/67/02/464796702.db2.gz RMRISXRHXYVCTO-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CCOCCCNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282383857 464797643 /nfs/dbraw/zinc/79/76/43/464797643.db2.gz GCVJTLUKLZWIPV-AWEZNQCLSA-N 1 0 337.420 2.000 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189247 464883087 /nfs/dbraw/zinc/88/30/87/464883087.db2.gz NVDXUBGYUSHVEV-OLZOCXBDSA-N 1 0 326.418 2.162 20 5 EEBDRO COC(=O)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000192570078 464950063 /nfs/dbraw/zinc/95/00/63/464950063.db2.gz FEYUJQPTBGZHBG-UHFFFAOYSA-N 1 0 347.371 2.194 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCSC1 ZINC000342931035 465396328 /nfs/dbraw/zinc/39/63/28/465396328.db2.gz WXMGWJCGXCKOEH-MRXNPFEDSA-N 1 0 348.428 2.243 20 5 EEBDRO C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593916535 468432375 /nfs/dbraw/zinc/43/23/75/468432375.db2.gz PXXANHAIFMQRFH-DZGCQCFKSA-N 1 0 334.420 2.373 20 5 EEBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303295 465701475 /nfs/dbraw/zinc/70/14/75/465701475.db2.gz NYXIGXYYRKUUAI-YJBOKZPZSA-N 1 0 332.448 2.053 20 5 EEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357040409 465720234 /nfs/dbraw/zinc/72/02/34/465720234.db2.gz PJONALVDDIYJFE-CYBMUJFWSA-N 1 0 345.403 2.226 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371364694 465745068 /nfs/dbraw/zinc/74/50/68/465745068.db2.gz PDBPPTLKICRIRY-UONOGXRCSA-N 1 0 342.399 2.362 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000357110284 465782039 /nfs/dbraw/zinc/78/20/39/465782039.db2.gz KRNYACCVDWRBEA-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371451948 465802907 /nfs/dbraw/zinc/80/29/07/465802907.db2.gz NPUPYJYNGGPGHP-ZBFHGGJFSA-N 1 0 332.404 2.063 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)c1 ZINC000361252299 465863526 /nfs/dbraw/zinc/86/35/26/465863526.db2.gz OPMUUHKGVBGSSY-ZWNOBZJWSA-N 1 0 332.360 2.242 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591358900 468457846 /nfs/dbraw/zinc/45/78/46/468457846.db2.gz PPRMNKCMMSYAEE-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO Cn1ccnc1[C@H](NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353439767 465883819 /nfs/dbraw/zinc/88/38/19/465883819.db2.gz IRPMFFUIUWSIFM-QGZVFWFLSA-N 1 0 343.431 2.493 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353439765 465883940 /nfs/dbraw/zinc/88/39/40/465883940.db2.gz IRPMFFUIUWSIFM-KRWDZBQOSA-N 1 0 343.431 2.493 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000331006350 465895133 /nfs/dbraw/zinc/89/51/33/465895133.db2.gz ZKTLSVSZBCQHHP-MRXNPFEDSA-N 1 0 334.420 2.114 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366721852 465897246 /nfs/dbraw/zinc/89/72/46/465897246.db2.gz JENWDSBFZWZTKC-HNNXBMFYSA-N 1 0 349.435 2.013 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353514460 465945880 /nfs/dbraw/zinc/94/58/80/465945880.db2.gz GYRGJKLVXUSXIX-PBHICJAKSA-N 1 0 341.415 2.244 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000353555850 465974839 /nfs/dbraw/zinc/97/48/39/465974839.db2.gz WULNLSUBAJXHJX-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1F ZINC000366908192 466010062 /nfs/dbraw/zinc/01/00/62/466010062.db2.gz CRLANCWKUASBPT-DOTOQJQBSA-N 1 0 337.395 2.467 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331305064 466023068 /nfs/dbraw/zinc/02/30/68/466023068.db2.gz WOIOIEHZBWVBNR-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000349238836 466030583 /nfs/dbraw/zinc/03/05/83/466030583.db2.gz DPFJLNCLRLVIAY-KRWDZBQOSA-N 1 0 349.431 2.097 20 5 EEBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302172423 466109636 /nfs/dbraw/zinc/10/96/36/466109636.db2.gz VIDZKEFFVNPFQD-AWEZNQCLSA-N 1 0 342.403 2.068 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000353760751 466126070 /nfs/dbraw/zinc/12/60/70/466126070.db2.gz AZMSRCGMPDOABK-GFCCVEGCSA-N 1 0 340.401 2.132 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000340500393 466134274 /nfs/dbraw/zinc/13/42/74/466134274.db2.gz SAXPGKMBFNQQDW-RBSFLKMASA-N 1 0 349.435 2.045 20 5 EEBDRO COC[C@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000372087516 466154237 /nfs/dbraw/zinc/15/42/37/466154237.db2.gz DMUYLFBELSEXKP-AWEZNQCLSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000302642661 466162224 /nfs/dbraw/zinc/16/22/24/466162224.db2.gz LNBMRCDDEOYJOM-LLVKDONJSA-N 1 0 343.449 2.387 20 5 EEBDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000346827631 466181262 /nfs/dbraw/zinc/18/12/62/466181262.db2.gz LKLBHANFQPIHFA-HNNXBMFYSA-N 1 0 334.347 2.436 20 5 EEBDRO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346847672 466196375 /nfs/dbraw/zinc/19/63/75/466196375.db2.gz PRVSFQFWDJOEEZ-UBHSHLNASA-N 1 0 335.404 2.171 20 5 EEBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000304273429 466274092 /nfs/dbraw/zinc/27/40/92/466274092.db2.gz CFOFSMCPBZKOGI-JLSDUUJJSA-N 1 0 344.415 2.278 20 5 EEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332009820 466345723 /nfs/dbraw/zinc/34/57/23/466345723.db2.gz DFBCKKFJHLKRBR-DABQJJPHSA-N 1 0 349.387 2.127 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000305189209 466371943 /nfs/dbraw/zinc/37/19/43/466371943.db2.gz QQUVBKFJDVIRJJ-ZDUSSCGKSA-N 1 0 332.360 2.380 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000358027429 466395302 /nfs/dbraw/zinc/39/53/02/466395302.db2.gz RJXUXTHQTTYMIE-ZDUSSCGKSA-N 1 0 335.404 2.191 20 5 EEBDRO Cc1cc(NC[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340919546 466435120 /nfs/dbraw/zinc/43/51/20/466435120.db2.gz SFYULJNVWLKGOY-GFCCVEGCSA-N 1 0 349.412 2.110 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305811849 466472701 /nfs/dbraw/zinc/47/27/01/466472701.db2.gz MOKOFVMLPKBKOK-IOASZLSFSA-N 1 0 335.404 2.405 20 5 EEBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358123031 466476057 /nfs/dbraw/zinc/47/60/57/466476057.db2.gz MHVGENZJPUBKOJ-NSHDSACASA-N 1 0 335.379 2.364 20 5 EEBDRO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1C ZINC000332277330 466486066 /nfs/dbraw/zinc/48/60/66/466486066.db2.gz QQITUKZJHMHIDK-OLZOCXBDSA-N 1 0 330.388 2.101 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000347226068 466491886 /nfs/dbraw/zinc/49/18/86/466491886.db2.gz DGNKPQWQHRCAKK-QWRGUYRKSA-N 1 0 341.795 2.083 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354416829 466551460 /nfs/dbraw/zinc/55/14/60/466551460.db2.gz DGGRNNFQQUEGFD-UKRRQHHQSA-N 1 0 335.404 2.305 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347312060 466555871 /nfs/dbraw/zinc/55/58/71/466555871.db2.gz PMUARBFIKFCLIT-DZGCQCFKSA-N 1 0 342.399 2.499 20 5 EEBDRO C[N@H+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000362129170 466576285 /nfs/dbraw/zinc/57/62/85/466576285.db2.gz KAJNIMYUEKQAIR-UHFFFAOYSA-N 1 0 346.362 2.377 20 5 EEBDRO Cc1c(Br)c(NCC2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000347413879 466620689 /nfs/dbraw/zinc/62/06/89/466620689.db2.gz LBAJLVKBWRQGDQ-UHFFFAOYSA-N 1 0 341.209 2.735 20 5 EEBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000325435742 466657670 /nfs/dbraw/zinc/65/76/70/466657670.db2.gz SQVYUTXJLSZIPL-INIZCTEOSA-N 1 0 339.392 2.105 20 5 EEBDRO O=C(CN1CCC[C@@H](OCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368800878 466699461 /nfs/dbraw/zinc/69/94/61/466699461.db2.gz SVRZCZIGCORRHW-CQSZACIVSA-N 1 0 333.388 2.424 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223107 466699862 /nfs/dbraw/zinc/69/98/62/466699862.db2.gz DVTPLBUKLBAVKA-CXAGYDPISA-N 1 0 347.415 2.353 20 5 EEBDRO Cc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc([N+](=O)[O-])c1 ZINC000373225341 466733686 /nfs/dbraw/zinc/73/36/86/466733686.db2.gz FGURWFRYBVXHAG-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EEBDRO C[C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000423728715 466815945 /nfs/dbraw/zinc/81/59/45/466815945.db2.gz UAERHBAXSQZLJT-GHMZBOCLSA-N 1 0 331.376 2.435 20 5 EEBDRO COc1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423731834 466816982 /nfs/dbraw/zinc/81/69/82/466816982.db2.gz YORMIDGDEKSQNR-SFHVURJKSA-N 1 0 341.367 2.473 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820095 466854781 /nfs/dbraw/zinc/85/47/81/466854781.db2.gz BNQLHKDWVRKCQE-GJZGRUSLSA-N 1 0 332.404 2.172 20 5 EEBDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411621524 466857106 /nfs/dbraw/zinc/85/71/06/466857106.db2.gz OEONVNNSGPJRCN-LBPRGKRZSA-N 1 0 349.387 2.339 20 5 EEBDRO C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000423823542 466858999 /nfs/dbraw/zinc/85/89/99/466858999.db2.gz IETUEHCKJKASHV-YVEFUNNKSA-N 1 0 340.383 2.211 20 5 EEBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000411672105 466872646 /nfs/dbraw/zinc/87/26/46/466872646.db2.gz MWPQLTHEMXHLIP-GFCCVEGCSA-N 1 0 337.376 2.197 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417714285 466915764 /nfs/dbraw/zinc/91/57/64/466915764.db2.gz IEBUCHUIACEQKW-KBPBESRZSA-N 1 0 349.435 2.084 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000417980649 467009453 /nfs/dbraw/zinc/00/94/53/467009453.db2.gz BLVKXTPYJQJYMM-CYBMUJFWSA-N 1 0 340.811 2.232 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424277365 467020114 /nfs/dbraw/zinc/02/01/14/467020114.db2.gz AGEOUIZKXZVFQL-GHMZBOCLSA-N 1 0 326.784 2.046 20 5 EEBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c3ncccc32)CC1 ZINC000413130341 467175481 /nfs/dbraw/zinc/17/54/81/467175481.db2.gz MZXXQTKXHPQPIL-CYBMUJFWSA-N 1 0 344.415 2.424 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452091036 467318203 /nfs/dbraw/zinc/31/82/03/467318203.db2.gz AMGRZRWIIGSBPW-ZDUSSCGKSA-N 1 0 341.433 2.006 20 5 EEBDRO CCc1cc(NC[C@@H](C)C[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420196385 467319790 /nfs/dbraw/zinc/31/97/90/467319790.db2.gz KXYMORISVRZWAT-LBPRGKRZSA-N 1 0 329.404 2.304 20 5 EEBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420258780 467332165 /nfs/dbraw/zinc/33/21/65/467332165.db2.gz LOQBGFMKLHKSBL-HUUCEWRRSA-N 1 0 339.399 2.406 20 5 EEBDRO CC(C)([NH3+])c1noc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000420366396 467380332 /nfs/dbraw/zinc/38/03/32/467380332.db2.gz ULBBARFCGBZUQM-UHFFFAOYSA-N 1 0 331.376 2.336 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000429972070 467387866 /nfs/dbraw/zinc/38/78/66/467387866.db2.gz LAHMZAIIYNJPGA-QWHCGFSZSA-N 1 0 335.404 2.245 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452778405 467422820 /nfs/dbraw/zinc/42/28/20/467422820.db2.gz DQMIANQLDFJBGM-OAHLLOKOSA-N 1 0 349.431 2.097 20 5 EEBDRO CCOc1cc(NC(=O)N(C)CC[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000414751321 467435258 /nfs/dbraw/zinc/43/52/58/467435258.db2.gz AFSIPZBZJIVLPI-UHFFFAOYSA-N 1 0 340.380 2.075 20 5 EEBDRO Cc1cc(OCC(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431571481 467525872 /nfs/dbraw/zinc/52/58/72/467525872.db2.gz PYHUPGCAOFMDAZ-ZDUSSCGKSA-N 1 0 335.404 2.130 20 5 EEBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062225 467616039 /nfs/dbraw/zinc/61/60/39/467616039.db2.gz YCIVQCLONJWNRP-WBVHZDCISA-N 1 0 335.448 2.472 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000457529178 467643877 /nfs/dbraw/zinc/64/38/77/467643877.db2.gz LZSIACJQXRDNKQ-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c2c(c1)COCO2 ZINC000449497605 467651965 /nfs/dbraw/zinc/65/19/65/467651965.db2.gz AQQKYVCSSGIKAC-IAGOWNOFSA-N 1 0 348.399 2.348 20 5 EEBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000449645736 467675368 /nfs/dbraw/zinc/67/53/68/467675368.db2.gz LNMUHYDSNILVRM-GXTWGEPZSA-N 1 0 346.362 2.185 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450600932 467877467 /nfs/dbraw/zinc/87/74/67/467877467.db2.gz XHABSJRSMHBZEO-JTQLQIEISA-N 1 0 348.325 2.267 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869520 467960115 /nfs/dbraw/zinc/96/01/15/467960115.db2.gz ATBJUSIYUDXBPL-ZDUSSCGKSA-N 1 0 343.387 2.146 20 5 EEBDRO CC(C)(O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000530939181 468018754 /nfs/dbraw/zinc/01/87/54/468018754.db2.gz BHYOFLDKYPNAKQ-UHFFFAOYSA-N 1 0 338.404 2.226 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000532873067 468146936 /nfs/dbraw/zinc/14/69/36/468146936.db2.gz IYVRUHSVTCHXKU-CABCVRRESA-N 1 0 347.415 2.089 20 5 EEBDRO COC1CC[NH+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000590037174 468207650 /nfs/dbraw/zinc/20/76/50/468207650.db2.gz IONYIBCRFAMWQI-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533829226 468224002 /nfs/dbraw/zinc/22/40/02/468224002.db2.gz OHQQNNZLGLNRCE-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591745362 468513524 /nfs/dbraw/zinc/51/35/24/468513524.db2.gz VWQXPSMFGIHFFU-CHWSQXEVSA-N 1 0 326.393 2.128 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594389472 468569072 /nfs/dbraw/zinc/56/90/72/468569072.db2.gz JEQYJFMTXQLWPJ-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000597587472 468608692 /nfs/dbraw/zinc/60/86/92/468608692.db2.gz UYUABHNUOPYVTH-UHFFFAOYSA-N 1 0 347.415 2.417 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000582919449 468617247 /nfs/dbraw/zinc/61/72/47/468617247.db2.gz AGJGEJHYDCFCIY-AWEZNQCLSA-N 1 0 332.356 2.133 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597700537 468643638 /nfs/dbraw/zinc/64/36/38/468643638.db2.gz NFCHUGAWSIDYII-IUODEOHRSA-N 1 0 330.388 2.101 20 5 EEBDRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592332546 468678919 /nfs/dbraw/zinc/67/89/19/468678919.db2.gz KISUCGNATPHTAW-IINYFYTJSA-N 1 0 344.371 2.048 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597859972 468696235 /nfs/dbraw/zinc/69/62/35/468696235.db2.gz JBOQYDCONQBASD-NSHDSACASA-N 1 0 337.424 2.292 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597861444 468697537 /nfs/dbraw/zinc/69/75/37/468697537.db2.gz UKXGBHAYXZVRPY-LLVKDONJSA-N 1 0 337.424 2.121 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000594932299 468725666 /nfs/dbraw/zinc/72/56/66/468725666.db2.gz YLIJDLHVLVQANB-UHFFFAOYSA-N 1 0 330.266 2.322 20 5 EEBDRO NC(=O)c1csc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595083231 468754686 /nfs/dbraw/zinc/75/46/86/468754686.db2.gz WSMNRIKSFIEGLN-GFCCVEGCSA-N 1 0 346.412 2.261 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)CC1CC1 ZINC000595093308 468756714 /nfs/dbraw/zinc/75/67/14/468756714.db2.gz ZFSMAQVRMLGMLP-TZMCWYRMSA-N 1 0 335.404 2.310 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598219991 468797024 /nfs/dbraw/zinc/79/70/24/468797024.db2.gz NCGFOOJJVXEDCZ-GFCCVEGCSA-N 1 0 349.435 2.407 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595264912 468797214 /nfs/dbraw/zinc/79/72/14/468797214.db2.gz UJRYGZTWBKLTRO-UHFFFAOYSA-N 1 0 328.800 2.169 20 5 EEBDRO CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592832196 468799249 /nfs/dbraw/zinc/79/92/49/468799249.db2.gz SVISPKCUWJXCLP-AWEZNQCLSA-N 1 0 335.404 2.089 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595454244 468858378 /nfs/dbraw/zinc/85/83/78/468858378.db2.gz FSZKXCCETJGIKX-HOTGVXAUSA-N 1 0 337.395 2.467 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072706 468860875 /nfs/dbraw/zinc/86/08/75/468860875.db2.gz LJUWEZNCCCBVKZ-LBPRGKRZSA-N 1 0 342.342 2.456 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521864 468887705 /nfs/dbraw/zinc/88/77/05/468887705.db2.gz FXDSCXQLLXMSFW-SJLPKXTDSA-N 1 0 335.448 2.475 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537683 468905615 /nfs/dbraw/zinc/90/56/15/468905615.db2.gz MFWSWFXNPLHPRV-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000584792289 468938319 /nfs/dbraw/zinc/93/83/19/468938319.db2.gz MCXPXELNODPUQZ-OAHLLOKOSA-N 1 0 338.310 2.403 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000598646926 468944132 /nfs/dbraw/zinc/94/41/32/468944132.db2.gz HXRHWGRZRMZCND-ZDUSSCGKSA-N 1 0 338.404 2.465 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595706956 468963259 /nfs/dbraw/zinc/96/32/59/468963259.db2.gz ZOWFLAHAXGMLBM-XJKSGUPXSA-N 1 0 335.404 2.325 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595747806 468984375 /nfs/dbraw/zinc/98/43/75/468984375.db2.gz GUICYSJFDHZATQ-KRWDZBQOSA-N 1 0 343.431 2.040 20 5 EEBDRO COC(=O)c1csc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000602659398 468994503 /nfs/dbraw/zinc/99/45/03/468994503.db2.gz MCWWSIBBTNAURM-UHFFFAOYSA-N 1 0 335.385 2.408 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602668793 468999817 /nfs/dbraw/zinc/99/98/17/468999817.db2.gz WWEOBKAXTIDPCX-DLBZAZTESA-N 1 0 334.416 2.437 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610573107 469006549 /nfs/dbraw/zinc/00/65/49/469006549.db2.gz YZLXIJAHGWGJMD-UHFFFAOYSA-N 1 0 347.371 2.182 20 5 EEBDRO CC1CCC(O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602716946 469029648 /nfs/dbraw/zinc/02/96/48/469029648.db2.gz VYWZAPPVAVTALD-UHFFFAOYSA-N 1 0 348.447 2.489 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595876391 469059039 /nfs/dbraw/zinc/05/90/39/469059039.db2.gz SRYLQAKKILRXQB-GUYCJALGSA-N 1 0 335.404 2.182 20 5 EEBDRO CC1(C)C[C@]1([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595908585 469077221 /nfs/dbraw/zinc/07/72/21/469077221.db2.gz ISLNXXYYDCNQGD-WBVHZDCISA-N 1 0 330.388 2.067 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000598988360 469077352 /nfs/dbraw/zinc/07/73/52/469077352.db2.gz QGHUCDYQTSSOLB-GFCCVEGCSA-N 1 0 329.347 2.423 20 5 EEBDRO COc1cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1O ZINC000598989067 469078175 /nfs/dbraw/zinc/07/81/75/469078175.db2.gz ZLVKBQVTDLQXGC-LLVKDONJSA-N 1 0 345.346 2.128 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000562837633 469090149 /nfs/dbraw/zinc/09/01/49/469090149.db2.gz SNNOIOLJDCIJNB-IAGOWNOFSA-N 1 0 346.431 2.448 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCC2)cc1SC ZINC000595941943 469093589 /nfs/dbraw/zinc/09/35/89/469093589.db2.gz VBJMTQSWQKYHHF-UHFFFAOYSA-N 1 0 339.417 2.327 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[NH2+]1 ZINC000596017034 469119852 /nfs/dbraw/zinc/11/98/52/469119852.db2.gz ZWDFIUBPMMFIGN-NEPJUHHUSA-N 1 0 338.383 2.123 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccsc1 ZINC000596075618 469141607 /nfs/dbraw/zinc/14/16/07/469141607.db2.gz KQJFBXUJYPWHGR-CQSZACIVSA-N 1 0 334.401 2.470 20 5 EEBDRO C[C@]1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]C1 ZINC000596120145 469164342 /nfs/dbraw/zinc/16/43/42/469164342.db2.gz GGEHVHWWGLZUFD-ZDUSSCGKSA-N 1 0 330.291 2.070 20 5 EEBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000611150218 469174861 /nfs/dbraw/zinc/17/48/61/469174861.db2.gz ROUDUQMTMBGLIL-LBPRGKRZSA-N 1 0 344.415 2.465 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000602948888 469185073 /nfs/dbraw/zinc/18/50/73/469185073.db2.gz WQCQVXJVYMTRBK-UHFFFAOYSA-N 1 0 349.435 2.450 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286352 469220337 /nfs/dbraw/zinc/22/03/37/469220337.db2.gz QTKHDGSPAZUAGM-HIFRSBDPSA-N 1 0 347.415 2.282 20 5 EEBDRO CS[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000611713190 469307876 /nfs/dbraw/zinc/30/78/76/469307876.db2.gz ZURIOVIDWAKYPM-KBPBESRZSA-N 1 0 333.417 2.020 20 5 EEBDRO Cc1ccoc1C(=O)NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602549430 469357558 /nfs/dbraw/zinc/35/75/58/469357558.db2.gz CXEHDQFFJQDHMK-UHFFFAOYSA-N 1 0 331.372 2.448 20 5 EEBDRO CNC(=O)c1cccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602557762 469360377 /nfs/dbraw/zinc/36/03/77/469360377.db2.gz HXXHXYYKFQGDIJ-UHFFFAOYSA-N 1 0 327.384 2.329 20 5 EEBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000604466533 469480368 /nfs/dbraw/zinc/48/03/68/469480368.db2.gz ZFDAOFKTHCBMBA-UHFFFAOYSA-N 1 0 333.417 2.415 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000619675130 469662806 /nfs/dbraw/zinc/66/28/06/469662806.db2.gz AAXCYTHBBCNYAS-UHFFFAOYSA-N 1 0 349.435 2.402 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609290992 469913584 /nfs/dbraw/zinc/91/35/84/469913584.db2.gz HOCXAPGBUMNUHT-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO CC(C)C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+](C)C ZINC000609624003 469950022 /nfs/dbraw/zinc/95/00/22/469950022.db2.gz QTTJMYHAZNDIQK-LLVKDONJSA-N 1 0 337.376 2.030 20 5 EEBDRO COc1ccc(OCC[N@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610369382 470008628 /nfs/dbraw/zinc/00/86/28/470008628.db2.gz BBRCDQRROIKEGF-UHFFFAOYSA-N 1 0 326.393 2.323 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000583101039 485579268 /nfs/dbraw/zinc/57/92/68/485579268.db2.gz HDCSZIXFTCTRLA-CQSZACIVSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183345417 533945579 /nfs/dbraw/zinc/94/55/79/533945579.db2.gz JDDAUOWPNASBTP-MNOVXSKESA-N 1 0 331.376 2.315 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266873816 535570098 /nfs/dbraw/zinc/57/00/98/535570098.db2.gz DUYYQZBYTDSILT-UHFFFAOYSA-N 1 0 339.461 2.329 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000726932611 576348548 /nfs/dbraw/zinc/34/85/48/576348548.db2.gz OZDLAJMZUBRUBU-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803151 577231133 /nfs/dbraw/zinc/23/11/33/577231133.db2.gz OJTNVLMGMFHDIU-NOZJJQNGSA-N 1 0 341.795 2.326 20 5 EEBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000774291172 577393887 /nfs/dbraw/zinc/39/38/87/577393887.db2.gz CXGXFXJFNDESSP-GMTAPVOTSA-N 1 0 336.314 2.442 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765079446 577494358 /nfs/dbraw/zinc/49/43/58/577494358.db2.gz NEOMISSNEZHFHZ-MRXNPFEDSA-N 1 0 332.360 2.095 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCCO)CC2)ccc1Cl ZINC000768548964 577558308 /nfs/dbraw/zinc/55/83/08/577558308.db2.gz MZJDHJKYRKAIQB-UHFFFAOYSA-N 1 0 327.812 2.138 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769626325 577581503 /nfs/dbraw/zinc/58/15/03/577581503.db2.gz VYIZSMMTJGZWAC-UHFFFAOYSA-N 1 0 345.403 2.353 20 5 EEBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000770712194 577602305 /nfs/dbraw/zinc/60/23/05/577602305.db2.gz XDQAJIHSGJZBBN-OAHLLOKOSA-N 1 0 342.779 2.450 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000771179225 577611193 /nfs/dbraw/zinc/61/11/93/577611193.db2.gz ADGCHLNMSRJFTB-UHFFFAOYSA-N 1 0 340.387 2.206 20 5 EEBDRO Cc1c(C(=O)NCC[N@H+]2CC=C(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762699481 577705966 /nfs/dbraw/zinc/70/59/66/577705966.db2.gz JJGMLFXNOUFPOH-UHFFFAOYSA-N 1 0 348.359 2.193 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1C ZINC000754079693 577799824 /nfs/dbraw/zinc/79/98/24/577799824.db2.gz KIKDUKJFFXEZRC-LBPRGKRZSA-N 1 0 332.404 2.017 20 5 EEBDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000756026022 577837148 /nfs/dbraw/zinc/83/71/48/577837148.db2.gz QNJKFAQQCMKCAQ-QGZVFWFLSA-N 1 0 332.404 2.276 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736100183 578179761 /nfs/dbraw/zinc/17/97/61/578179761.db2.gz BUSQWUFCTXROHQ-LBPRGKRZSA-N 1 0 336.348 2.107 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001020494201 674935674 /nfs/dbraw/zinc/93/56/74/674935674.db2.gz AFIYUIGMHQOXQD-GUWHFVFCSA-N 1 0 329.400 2.378 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCC3)no2)cc1OC ZINC000261825427 676327489 /nfs/dbraw/zinc/32/74/89/676327489.db2.gz ISACHWXPIAZBTP-UHFFFAOYSA-N 1 0 334.332 2.390 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000891383901 676530971 /nfs/dbraw/zinc/53/09/71/676530971.db2.gz XAMVNNCBFFPSJD-VIRABCJISA-N 1 0 332.404 2.486 20 5 EEBDRO CC1(C)CC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[NH2+]C1 ZINC000891723252 676802571 /nfs/dbraw/zinc/80/25/71/676802571.db2.gz PIEJMMNCBQLBJA-CQSZACIVSA-N 1 0 334.420 2.215 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000892187076 678228434 /nfs/dbraw/zinc/22/84/34/678228434.db2.gz IFSRYYHEXBUOID-YIYPIFLZSA-N 1 0 332.404 2.343 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC001022730012 678357174 /nfs/dbraw/zinc/35/71/74/678357174.db2.gz RBVOCCUJYAHEKO-TXEJJXNPSA-N 1 0 349.416 2.047 20 5 EEBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCOCC1 ZINC001022856163 678653696 /nfs/dbraw/zinc/65/36/96/678653696.db2.gz XEAPVMVXRIYIPQ-GASCZTMLSA-N 1 0 347.415 2.148 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC000983010306 681651554 /nfs/dbraw/zinc/65/15/54/681651554.db2.gz YGQUWEMIVUFJTG-YEORSEQZSA-N 1 0 346.412 2.350 20 5 EEBDRO Cn1cccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983190546 681974423 /nfs/dbraw/zinc/97/44/23/681974423.db2.gz OHJWQDKYCDMPHI-AULYBMBSSA-N 1 0 348.428 2.293 20 5 EEBDRO C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000892742896 682979126 /nfs/dbraw/zinc/97/91/26/682979126.db2.gz ZBLZVWFQAOOKCS-AWEZNQCLSA-N 1 0 329.404 2.429 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[NH2+]C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000895252669 684389057 /nfs/dbraw/zinc/38/90/57/684389057.db2.gz COXQOKAFESTUMM-UHFFFAOYSA-N 1 0 347.415 2.423 20 5 EEBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124885623 686153032 /nfs/dbraw/zinc/15/30/32/686153032.db2.gz RYXIOZAIYDSTJM-UHFFFAOYSA-N 1 0 347.824 2.139 20 5 EEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985287931 686231901 /nfs/dbraw/zinc/23/19/01/686231901.db2.gz ITZUAQSFBCQSPV-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985419698 686605376 /nfs/dbraw/zinc/60/53/76/686605376.db2.gz FSWCNRRPMMLKHU-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125159584 686922558 /nfs/dbraw/zinc/92/25/58/686922558.db2.gz FZOCRLWDWOHBLO-UWVGGRQHSA-N 1 0 347.824 2.057 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459359 690564486 /nfs/dbraw/zinc/56/44/86/690564486.db2.gz LDGOPXIFHYSCMZ-ZDUSSCGKSA-N 1 0 334.420 2.471 20 5 EEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000905068281 694526103 /nfs/dbraw/zinc/52/61/03/694526103.db2.gz MPHDGMBUWMDRHU-LLVKDONJSA-N 1 0 328.210 2.142 20 5 EEBDRO CCN(C(=O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000905520477 1189767264 /nfs/dbraw/zinc/76/72/64/1189767264.db2.gz ZSKDSBBSOJZQLB-KRWDZBQOSA-N 1 0 343.383 2.271 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000863922193 1197923868 /nfs/dbraw/zinc/92/38/68/1197923868.db2.gz PKKYMDXLHBRXEF-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H](O)C1CCCC1)OCCO2 ZINC000865874291 1198410549 /nfs/dbraw/zinc/41/05/49/1198410549.db2.gz AZSLRXNHDSVFBD-HNNXBMFYSA-N 1 0 336.388 2.397 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000873101575 1198499915 /nfs/dbraw/zinc/49/99/15/1198499915.db2.gz AUEVUZIVYOXLLM-CQSZACIVSA-N 1 0 336.388 2.223 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000810131598 1199286807 /nfs/dbraw/zinc/28/68/07/1199286807.db2.gz MESNSHYDMSVZOQ-CABCVRRESA-N 1 0 336.779 2.425 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC001134220014 1199403740 /nfs/dbraw/zinc/40/37/40/1199403740.db2.gz CJSJRPMZPABOKX-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001134754259 1199804486 /nfs/dbraw/zinc/80/44/86/1199804486.db2.gz GCVIJUJNVPQYJJ-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO COC(=O)c1csc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000877523347 1199955633 /nfs/dbraw/zinc/95/56/33/1199955633.db2.gz YDEKWQIRUWPSQL-UHFFFAOYSA-N 1 0 335.385 2.408 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000879036758 1200820489 /nfs/dbraw/zinc/82/04/89/1200820489.db2.gz QIHWMZBMDGPQGK-QGZVFWFLSA-N 1 0 330.388 2.083 20 5 EEBDRO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc([N+](=O)[O-])ccc12 ZINC000121233125 1201604631 /nfs/dbraw/zinc/60/46/31/1201604631.db2.gz KUVJNVDDFLZLAU-HIFRSBDPSA-N 1 0 329.404 2.379 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@](C)([NH3+])C2)CC1 ZINC000868074165 1201738670 /nfs/dbraw/zinc/73/86/70/1201738670.db2.gz ZAXUBKLIHJQVOG-SFHVURJKSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884519946 1202330739 /nfs/dbraw/zinc/33/07/39/1202330739.db2.gz IMCMLOPNTADMGK-UHFFFAOYSA-N 1 0 344.415 2.472 20 5 EEBDRO CC[C@@H](CO)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000930366507 1205566422 /nfs/dbraw/zinc/56/64/22/1205566422.db2.gz GWCLTCUJMIXIPS-VIFPVBQESA-N 1 0 329.194 2.486 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095415470 1205709811 /nfs/dbraw/zinc/70/98/11/1205709811.db2.gz DWIBRNWFZLUAPF-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000925214975 1206084115 /nfs/dbraw/zinc/08/41/15/1206084115.db2.gz JYBCKXZZJVPPBD-LLVKDONJSA-N 1 0 336.344 2.355 20 5 EEBDRO CCN(CCCNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001095883512 1212731833 /nfs/dbraw/zinc/73/18/33/1212731833.db2.gz MSSFUOLCUNJBBJ-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccnc(F)c1 ZINC001020018871 1229444386 /nfs/dbraw/zinc/44/43/86/1229444386.db2.gz NPNZDPUQFRZXEV-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096043478 1233956761 /nfs/dbraw/zinc/95/67/61/1233956761.db2.gz FHBNSDKUSNVHDF-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325665 1243352376 /nfs/dbraw/zinc/35/23/76/1243352376.db2.gz JZJZSJWSJFOLTJ-MWQQHZPXSA-N 1 0 349.475 2.497 20 5 EEBDRO O=C(C(F)F)N1CC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001050397857 1243507970 /nfs/dbraw/zinc/50/79/70/1243507970.db2.gz HBRGQNCHAYOXGO-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001097190160 1243827150 /nfs/dbraw/zinc/82/71/50/1243827150.db2.gz KTRDCQCWAOKLPN-GASCZTMLSA-N 1 0 334.420 2.303 20 5 EEBDRO CC(C)(C[NH2+]CCC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540321 1245942760 /nfs/dbraw/zinc/94/27/60/1245942760.db2.gz CBRVIEVSLKIBJD-HZPDHXFCSA-N 1 0 337.464 2.306 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827497069 1248229637 /nfs/dbraw/zinc/22/96/37/1248229637.db2.gz SFQGZKNTNHVBBA-STQMWFEESA-N 1 0 328.372 2.418 20 5 EEBDRO CC(C)OCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199400019 1285651884 /nfs/dbraw/zinc/65/18/84/1285651884.db2.gz DOBYWYZCJCYCIG-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000854722723 1292928630 /nfs/dbraw/zinc/92/86/30/1292928630.db2.gz IHFWQRCMEBUJKF-UHFFFAOYSA-N 1 0 346.431 2.219 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000856490029 1293546511 /nfs/dbraw/zinc/54/65/11/1293546511.db2.gz UEASUUBYWBBFNA-ZDUSSCGKSA-N 1 0 327.331 2.143 20 5 EEBDRO CC[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000857764915 1293910852 /nfs/dbraw/zinc/91/08/52/1293910852.db2.gz DRJOBODYIYWXNA-GWCFXTLKSA-N 1 0 343.330 2.152 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860287194 1294911875 /nfs/dbraw/zinc/91/18/75/1294911875.db2.gz CGNJZSLDGAZRRC-UHFFFAOYSA-N 1 0 336.323 2.028 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001102050273 1300200974 /nfs/dbraw/zinc/20/09/74/1300200974.db2.gz FSWWBJOUKGXZQY-UHFFFAOYSA-N 1 0 339.355 2.427 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001224205199 1300485659 /nfs/dbraw/zinc/48/56/59/1300485659.db2.gz ZWBVNKZPHMNELI-CQSZACIVSA-N 1 0 347.391 2.248 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(F)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001226010225 1301231512 /nfs/dbraw/zinc/23/15/12/1301231512.db2.gz RNNBYLHPHLDIJS-AZHAFVHUSA-N 1 0 338.335 2.280 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227247098 1301746582 /nfs/dbraw/zinc/74/65/82/1301746582.db2.gz SIUIYVYKOXXCGA-SECBINFHSA-N 1 0 335.282 2.108 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C)cc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001228839916 1302475237 /nfs/dbraw/zinc/47/52/37/1302475237.db2.gz ZQEKUTKEQPCQAK-KKBVYLPWSA-N 1 0 334.372 2.449 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229456812 1302791505 /nfs/dbraw/zinc/79/15/05/1302791505.db2.gz XPHLGAYKXRVNES-GUYCJALGSA-N 1 0 329.356 2.128 20 5 EEBDRO O=C1NCC[C@]12CC[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232221032 1304043178 /nfs/dbraw/zinc/04/31/78/1304043178.db2.gz VWYRBCQNJLWTOZ-HXUWFJFHSA-N 1 0 332.407 2.495 20 5 EEBDRO COc1ccc(C(F)(F)F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234055681 1304712249 /nfs/dbraw/zinc/71/22/49/1304712249.db2.gz WLTBWRBLMZXBNX-SNVBAGLBSA-N 1 0 336.330 2.077 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccnc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001235259708 1305168965 /nfs/dbraw/zinc/16/89/65/1305168965.db2.gz JCDAXTPUEMAKDW-UHFFFAOYSA-N 1 0 346.362 2.381 20 5 EEBDRO COc1ccc(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001116590933 1305903123 /nfs/dbraw/zinc/90/31/23/1305903123.db2.gz LBPMQEINLBNLSY-ZDUSSCGKSA-N 1 0 344.371 2.386 20 5 EEBDRO COCCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001149082241 1308934057 /nfs/dbraw/zinc/93/40/57/1308934057.db2.gz BKXFNMHYVYIXMK-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC001120557751 1309609953 /nfs/dbraw/zinc/60/99/53/1309609953.db2.gz AHNVDICPBMDCHU-BZNIZROVSA-N 1 0 344.371 2.470 20 5 EEBDRO O=C(NCC12CCC[NH+]1CCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000834751991 1314870167 /nfs/dbraw/zinc/87/01/67/1314870167.db2.gz IPXSYHJYPJDMCE-UHFFFAOYSA-N 1 0 339.342 2.431 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC[C@@H]1C ZINC000839544586 1315213945 /nfs/dbraw/zinc/21/39/45/1315213945.db2.gz WIAMZKKEZKWNRE-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161129 1315493341 /nfs/dbraw/zinc/49/33/41/1315493341.db2.gz KBCRMFGNIWDNES-MRVPVSSYSA-N 1 0 345.197 2.477 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474577 1315712435 /nfs/dbraw/zinc/71/24/35/1315712435.db2.gz AUDLCNJYMPCMDZ-GFCCVEGCSA-N 1 0 328.800 2.150 20 5 EEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842876617 1315789570 /nfs/dbraw/zinc/78/95/70/1315789570.db2.gz VTLMRPWJNVBKSD-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843097215 1315841186 /nfs/dbraw/zinc/84/11/86/1315841186.db2.gz XLBNDCQVLHAHCS-SJLPKXTDSA-N 1 0 330.384 2.130 20 5 EEBDRO COc1cc(Cc2noc(CC3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000843191074 1315863532 /nfs/dbraw/zinc/86/35/32/1315863532.db2.gz BUSVDDWUZAPSEN-UHFFFAOYSA-N 1 0 332.360 2.119 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346146 1315894761 /nfs/dbraw/zinc/89/47/61/1315894761.db2.gz MGDNOHFKXATMNK-ABAIWWIYSA-N 1 0 338.383 2.264 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843353405 1315898063 /nfs/dbraw/zinc/89/80/63/1315898063.db2.gz HLIUXKFNMLNODH-WDEREUQCSA-N 1 0 340.811 2.246 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000843377374 1315903855 /nfs/dbraw/zinc/90/38/55/1315903855.db2.gz PJXWXYHEHGIHSC-JQWIXIFHSA-N 1 0 340.811 2.246 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)nc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c1 ZINC001154848651 1317349584 /nfs/dbraw/zinc/34/95/84/1317349584.db2.gz YQHHWLSOTZQNKN-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001155305807 1317545835 /nfs/dbraw/zinc/54/58/35/1317545835.db2.gz FMLHOGGQQUVVBM-LBPRGKRZSA-N 1 0 342.355 2.188 20 5 EEBDRO [NH3+]CC1CN([C@H]2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001155383896 1317574840 /nfs/dbraw/zinc/57/48/40/1317574840.db2.gz UFPFQGHYMBHMGG-INIZCTEOSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc2[nH]ccc21 ZINC001155459156 1317605115 /nfs/dbraw/zinc/60/51/15/1317605115.db2.gz OWMNSJQCPJAVHO-GFCCVEGCSA-N 1 0 340.387 2.494 20 5 EEBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155484765 1317617772 /nfs/dbraw/zinc/61/77/72/1317617772.db2.gz QRCWCDQUZNWZNI-UEKVPHQBSA-N 1 0 348.790 2.443 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155584215 1317659766 /nfs/dbraw/zinc/65/97/66/1317659766.db2.gz WVWOZSNOTYZFKX-CSMHCCOUSA-N 1 0 329.813 2.170 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C(C)C)CC1 ZINC001156495741 1318040791 /nfs/dbraw/zinc/04/07/91/1318040791.db2.gz LBDLCWKBXGYJSN-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO Cc1nn(C)cc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465938 1318081568 /nfs/dbraw/zinc/08/15/68/1318081568.db2.gz PVSSAQCGZIMHKO-UHFFFAOYSA-N 1 0 329.404 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC(n3cnc4c3C[NH2+]CC4)CC2)cc1 ZINC001254474376 1318082716 /nfs/dbraw/zinc/08/27/16/1318082716.db2.gz OMUKGPPMJKQDCN-UHFFFAOYSA-N 1 0 327.388 2.279 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)ncn1 ZINC001254545893 1318117142 /nfs/dbraw/zinc/11/71/42/1318117142.db2.gz QHGSMBPISLBXAD-GOEBONIOSA-N 1 0 341.415 2.493 20 5 EEBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H](O)c1cccc(O)c1 ZINC001254577237 1318127637 /nfs/dbraw/zinc/12/76/37/1318127637.db2.gz DPXHHBNFNHWIHZ-GYOIFBIXSA-N 1 0 328.368 2.479 20 5 EEBDRO O=C1OCCCN1C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610273 1318143730 /nfs/dbraw/zinc/14/37/30/1318143730.db2.gz JBFWIPMEIJLQCJ-QGZVFWFLSA-N 1 0 345.399 2.369 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)n1 ZINC001157214908 1318493867 /nfs/dbraw/zinc/49/38/67/1318493867.db2.gz BIRAAMPATLWQKT-UHFFFAOYSA-N 1 0 347.762 2.497 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256099119 1318646955 /nfs/dbraw/zinc/64/69/55/1318646955.db2.gz JEXQANGXGKDYJD-HNNXBMFYSA-N 1 0 335.404 2.293 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)cc2C1 ZINC001157985052 1318959344 /nfs/dbraw/zinc/95/93/44/1318959344.db2.gz NRWBLFLBLBFNLR-ZDUSSCGKSA-N 1 0 336.355 2.054 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001159027283 1319567316 /nfs/dbraw/zinc/56/73/16/1319567316.db2.gz AZLNLFDVFMZYBR-UHFFFAOYSA-N 1 0 339.342 2.498 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159050370 1319578611 /nfs/dbraw/zinc/57/86/11/1319578611.db2.gz ZOBGKTPWUFZTQO-UHFFFAOYSA-N 1 0 333.779 2.381 20 5 EEBDRO Cc1ccc(-c2ccc(N[C@H](C)[C@@H]3C[NH2+]CCO3)nn2)cc1[N+](=O)[O-] ZINC001159498364 1319838553 /nfs/dbraw/zinc/83/85/53/1319838553.db2.gz LBUFNZVWZFRDAA-WBMJQRKESA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1cc(Cl)nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001161465090 1320508701 /nfs/dbraw/zinc/50/87/01/1320508701.db2.gz YHEWAOGQMITYFP-GFCCVEGCSA-N 1 0 339.827 2.190 20 5 EEBDRO O=C(CCc1ccncc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161618867 1320560959 /nfs/dbraw/zinc/56/09/59/1320560959.db2.gz PFZLFTUEDNGMPJ-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO [NH3+]C1CCN(CCNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001161867325 1320653670 /nfs/dbraw/zinc/65/36/70/1320653670.db2.gz PBQYKOJJFGMAND-UHFFFAOYSA-N 1 0 334.207 2.132 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001162093620 1320746893 /nfs/dbraw/zinc/74/68/93/1320746893.db2.gz KBDCXAGIUMPXIK-AWEZNQCLSA-N 1 0 341.415 2.362 20 5 EEBDRO CCc1cncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001162622463 1320913967 /nfs/dbraw/zinc/91/39/67/1320913967.db2.gz MYTKLQGBENMOLJ-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)c2c1 ZINC001162791902 1320959810 /nfs/dbraw/zinc/95/98/10/1320959810.db2.gz FBZUKAZATFAGQC-YDEJPDAXSA-N 1 0 331.763 2.377 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162847702 1320972808 /nfs/dbraw/zinc/97/28/08/1320972808.db2.gz XIYPBHMFFOAWBX-GFCCVEGCSA-N 1 0 342.355 2.106 20 5 EEBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC001162899302 1320984908 /nfs/dbraw/zinc/98/49/08/1320984908.db2.gz MVZZJDMRCNXOHA-VIFPVBQESA-N 1 0 325.328 2.052 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3COCCC34C[NH2+]C4)nc21 ZINC001163071576 1321028381 /nfs/dbraw/zinc/02/83/81/1321028381.db2.gz AUSTZKSAIKEPKQ-ZDUSSCGKSA-N 1 0 332.335 2.073 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c(C(F)(F)F)c1 ZINC001163090305 1321032560 /nfs/dbraw/zinc/03/25/60/1321032560.db2.gz SUJVENYLVADXAN-VIFPVBQESA-N 1 0 346.309 2.189 20 5 EEBDRO COCC(C)(C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163154560 1321053044 /nfs/dbraw/zinc/05/30/44/1321053044.db2.gz WVNQGIKEMDCMLE-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO COCCCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163569400 1321159917 /nfs/dbraw/zinc/15/99/17/1321159917.db2.gz VPRQKUYALIVZSU-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(-n2c3ccccc3nc2C2CC[NH2+]CC2)n1 ZINC001163760541 1321211239 /nfs/dbraw/zinc/21/12/39/1321211239.db2.gz UKWORMREISYGEX-UHFFFAOYSA-N 1 0 338.371 2.499 20 5 EEBDRO Cc1cc(Cl)nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165429608 1321524575 /nfs/dbraw/zinc/52/45/75/1321524575.db2.gz JWFSVERDXLPHAZ-NXEZZACHSA-N 1 0 328.775 2.465 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]2CF)CC1 ZINC001165431809 1321525105 /nfs/dbraw/zinc/52/51/05/1321525105.db2.gz RJNGKILIIYKSKY-GXFFZTMASA-N 1 0 331.351 2.051 20 5 EEBDRO [NH3+]CCc1nccn1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001166300017 1321695583 /nfs/dbraw/zinc/69/55/83/1321695583.db2.gz ZAFDJRRVCPXOFO-UHFFFAOYSA-N 1 0 339.355 2.256 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccnc1N1CC[NH+](C)CC1 ZINC001210443760 1325286579 /nfs/dbraw/zinc/28/65/79/1325286579.db2.gz NFISQKFBNMRGEP-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC001320493645 1332897099 /nfs/dbraw/zinc/89/70/99/1332897099.db2.gz CXZXOCCXOVEUEW-CQSZACIVSA-N 1 0 333.388 2.036 20 5 EEBDRO COc1cc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1C ZINC001321866664 1333170554 /nfs/dbraw/zinc/17/05/54/1333170554.db2.gz IDSSUAZJMSAUHM-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO CC(C)C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609093199 1351839948 /nfs/dbraw/zinc/83/99/48/1351839948.db2.gz SXWKTPDRYWTXBS-LLVKDONJSA-N 1 0 333.396 2.163 20 5 EEBDRO C[N@H+](CCCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001324597458 1333718089 /nfs/dbraw/zinc/71/80/89/1333718089.db2.gz DYAFHOWTWLWLKC-UHFFFAOYSA-N 1 0 332.404 2.494 20 5 EEBDRO CC[C@]1(c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CC[NH2+]C1 ZINC001328413532 1334456158 /nfs/dbraw/zinc/45/61/58/1334456158.db2.gz SKSJESFKNISHDY-INIZCTEOSA-N 1 0 332.360 2.218 20 5 EEBDRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)oc1C ZINC001329133723 1334592163 /nfs/dbraw/zinc/59/21/63/1334592163.db2.gz DJDVRSRJTYDYQQ-OAHLLOKOSA-N 1 0 334.328 2.106 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H]([NH2+]C3CCOCC3)C1)CCN2 ZINC001330816679 1334908489 /nfs/dbraw/zinc/90/84/89/1334908489.db2.gz GPQVTMGYVONESP-CQSZACIVSA-N 1 0 346.431 2.300 20 5 EEBDRO COc1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001332106556 1335730461 /nfs/dbraw/zinc/73/04/61/1335730461.db2.gz QSMUTWZBYMNAHM-UHFFFAOYSA-N 1 0 341.367 2.179 20 5 EEBDRO O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335991121 1336461284 /nfs/dbraw/zinc/46/12/84/1336461284.db2.gz NRNILCBELNBTQF-KRWDZBQOSA-N 1 0 329.400 2.496 20 5 EEBDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001336702835 1336583159 /nfs/dbraw/zinc/58/31/59/1336583159.db2.gz GQUBIBGIJHFBLO-MRXNPFEDSA-N 1 0 346.383 2.271 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001337944209 1336760414 /nfs/dbraw/zinc/76/04/14/1336760414.db2.gz VAOIJQMYDAEGPD-CMPLNLGQSA-N 1 0 349.416 2.202 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001345717869 1337462127 /nfs/dbraw/zinc/46/21/27/1337462127.db2.gz CQGWTOOBNABNQF-ZIAGYGMSSA-N 1 0 334.376 2.352 20 5 EEBDRO CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001577631923 1344172348 /nfs/dbraw/zinc/17/23/48/1344172348.db2.gz YOQABWTZKSDKCW-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001578481499 1344283455 /nfs/dbraw/zinc/28/34/55/1344283455.db2.gz WRQKERRTJMKTQF-UHFFFAOYSA-N 1 0 331.416 2.376 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1F ZINC001580393900 1344516902 /nfs/dbraw/zinc/51/69/02/1344516902.db2.gz FNBFMQFJYHPQAG-GHMZBOCLSA-N 1 0 335.257 2.125 20 5 EEBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001580402414 1344517693 /nfs/dbraw/zinc/51/76/93/1344517693.db2.gz XGIOGWIBZQPPIU-KLZCAUPSSA-N 1 0 333.413 2.296 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001580493957 1344526426 /nfs/dbraw/zinc/52/64/26/1344526426.db2.gz ONMLLAQHIFCUHS-JEJOPICUSA-N 1 0 337.379 2.439 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(C1)CC[NH2+]C2 ZINC001580816261 1344562883 /nfs/dbraw/zinc/56/28/83/1344562883.db2.gz USZZQMPVIGIYQE-UHFFFAOYSA-N 1 0 329.278 2.049 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589128397 1348963205 /nfs/dbraw/zinc/96/32/05/1348963205.db2.gz ALCMPRBMOOROSQ-UHFFFAOYSA-N 1 0 348.407 2.005 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001589714975 1349023461 /nfs/dbraw/zinc/02/34/61/1349023461.db2.gz OVLXQUYJGDCWFX-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO Cc1ncc([C@H](C)[NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])s1 ZINC001592408936 1349628357 /nfs/dbraw/zinc/62/83/57/1349628357.db2.gz OYTNOXLLMLGLKH-QMMMGPOBSA-N 1 0 345.388 2.391 20 5 EEBDRO CC(C)C[C@@H]1COCCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603271045 1350676075 /nfs/dbraw/zinc/67/60/75/1350676075.db2.gz UYLLOZVATVAYOP-CQSZACIVSA-N 1 0 346.391 2.022 20 5 EEBDRO CC[NH+](CC)CCCNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604285215 1350909351 /nfs/dbraw/zinc/90/93/51/1350909351.db2.gz NBWABUCWLLVKTG-UHFFFAOYSA-N 1 0 337.359 2.058 20 5 EEBDRO C[N@H+](CCOC(C)(C)C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604778267 1351001309 /nfs/dbraw/zinc/00/13/09/1351001309.db2.gz IXJYQDJHXGTVPJ-UHFFFAOYSA-N 1 0 334.380 2.022 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC001605284359 1351124386 /nfs/dbraw/zinc/12/43/86/1351124386.db2.gz UINREYRIMGMVQC-UHFFFAOYSA-N 1 0 340.343 2.073 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564439 1368036544 /nfs/dbraw/zinc/03/65/44/1368036544.db2.gz IUPAEZTVMDWFDA-NHYWBVRUSA-N 1 0 345.403 2.094 20 5 EEBDRO CCOC(=O)c1ccnc(NCc2ccc(CC[NH3+])cc2)c1[N+](=O)[O-] ZINC000842272076 1369914664 /nfs/dbraw/zinc/91/46/64/1369914664.db2.gz VJAWQPJQMXOEBS-UHFFFAOYSA-N 1 0 344.371 2.280 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000843323528 1369921823 /nfs/dbraw/zinc/92/18/23/1369921823.db2.gz WIZQBSMHJOVODK-JGVFFNPUSA-N 1 0 337.348 2.129 20 5 EEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341895217 1372935657 /nfs/dbraw/zinc/93/56/57/1372935657.db2.gz ZZZFJERMNHYNDP-KBMXLJTQSA-N 1 0 329.400 2.489 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C2CC2)n1CCC[NH3+] ZINC001578481151 1403762057 /nfs/dbraw/zinc/76/20/57/1403762057.db2.gz QKSIUFHHDBDWPY-UHFFFAOYSA-N 1 0 344.419 2.091 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000090111964 719478473 /nfs/dbraw/zinc/47/84/73/719478473.db2.gz NKKBVQUROHIIPU-HOTGVXAUSA-N 1 0 340.383 2.176 20 5 EEBDRO O=C(c1cn[nH]c1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997570097 790306167 /nfs/dbraw/zinc/30/61/67/790306167.db2.gz FYVBHEFFSKZTDJ-UHFFFAOYSA-N 1 0 349.416 2.021 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167089327 757244498 /nfs/dbraw/zinc/24/44/98/757244498.db2.gz SLAZCHRPIIEJMU-UHFFFAOYSA-N 1 0 327.319 2.301 20 5 EEBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167316107 757923469 /nfs/dbraw/zinc/92/34/69/757923469.db2.gz FNGXASOABXOQBJ-UHFFFAOYSA-N 1 0 340.339 2.487 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180103884 774510890 /nfs/dbraw/zinc/51/08/90/774510890.db2.gz WWFJWIATAWXNTQ-UHFFFAOYSA-N 1 0 347.412 2.053 20 5 EEBDRO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091394987 790594140 /nfs/dbraw/zinc/59/41/40/790594140.db2.gz FAQYVMAXWIETRA-OKILXGFUSA-N 1 0 334.420 2.243 20 5 EEBDRO C[N@H+](CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001091411037 790631881 /nfs/dbraw/zinc/63/18/81/790631881.db2.gz PNZOSACTYJXFDB-OKILXGFUSA-N 1 0 346.431 2.386 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000178566448 779409580 /nfs/dbraw/zinc/40/95/80/779409580.db2.gz ORZOBDYEILVEHI-CYBMUJFWSA-N 1 0 332.404 2.006 20 5 EEBDRO COc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc2c1OCO2 ZINC000809734973 783319098 /nfs/dbraw/zinc/31/90/98/783319098.db2.gz PAXMONQJEAZASF-UHFFFAOYSA-N 1 0 345.355 2.297 20 5 EEBDRO Cc1cc(F)ccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997770962 791040760 /nfs/dbraw/zinc/04/07/60/791040760.db2.gz DMPXVSOKEYCTMG-IAGOWNOFSA-N 1 0 349.406 2.128 20 5 EEBDRO C[C@@H]([NH3+])CCNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001170886432 785147022 /nfs/dbraw/zinc/14/70/22/785147022.db2.gz BBGNDYTWYNWMNI-LLVKDONJSA-N 1 0 329.360 2.391 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818590049 785300220 /nfs/dbraw/zinc/30/02/20/785300220.db2.gz MGJCJZZIMDIMTO-KEMUVXCRSA-N 1 0 343.786 2.433 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000818980788 785349644 /nfs/dbraw/zinc/34/96/44/785349644.db2.gz OAANTZOVDYUHDG-AWEZNQCLSA-N 1 0 347.327 2.033 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818972314 785367533 /nfs/dbraw/zinc/36/75/33/785367533.db2.gz JFPVEOAUSCHYNL-FZMZJTMJSA-N 1 0 347.337 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000819191182 785455797 /nfs/dbraw/zinc/45/57/97/785455797.db2.gz NXYHYPKDPSUYPU-INIZCTEOSA-N 1 0 331.328 2.369 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001107239812 786593616 /nfs/dbraw/zinc/59/36/16/786593616.db2.gz YGNYUTFEBWRFHE-ONEGZZNKSA-N 1 0 346.431 2.329 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001107274424 786716620 /nfs/dbraw/zinc/71/66/20/786716620.db2.gz CVOLGVZEYDEPOY-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2C[C@]23CC[NH2+]C3)n1 ZINC000822789996 787380709 /nfs/dbraw/zinc/38/07/09/787380709.db2.gz BJNHEALTWICVNL-BZNIZROVSA-N 1 0 329.360 2.099 20 5 EEBDRO C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000823218583 787627600 /nfs/dbraw/zinc/62/76/00/787627600.db2.gz MEWOJCJGUPROFS-ZDUSSCGKSA-N 1 0 335.404 2.130 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000823784430 787935995 /nfs/dbraw/zinc/93/59/95/787935995.db2.gz SIEGRJIRNLEDTP-NWDGAFQWSA-N 1 0 335.429 2.340 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000823933897 787993409 /nfs/dbraw/zinc/99/34/09/787993409.db2.gz ZHECRDSAZYWHGC-INIZCTEOSA-N 1 0 333.392 2.127 20 5 EEBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000824002952 788014816 /nfs/dbraw/zinc/01/48/16/788014816.db2.gz JUIWFUPWZKJHLC-GFCCVEGCSA-N 1 0 335.408 2.421 20 5 EEBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825472646 788646449 /nfs/dbraw/zinc/64/64/49/788646449.db2.gz SYQDMCHPWVLFHU-KRWDZBQOSA-N 1 0 349.431 2.351 20 5 EEBDRO Cc1c[nH]c(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000997081634 788696715 /nfs/dbraw/zinc/69/67/15/788696715.db2.gz YTYFGPCXNMKTFZ-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000923295807 789327797 /nfs/dbraw/zinc/32/77/97/789327797.db2.gz HYUTUSAKSWIDIG-GOEBONIOSA-N 1 0 342.399 2.245 20 5 EEBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c(=O)n(C)c3)c2c1 ZINC001171163278 789584274 /nfs/dbraw/zinc/58/42/74/789584274.db2.gz AGWKRXNNCBJHBS-GFCCVEGCSA-N 1 0 340.383 2.436 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845669926 789915937 /nfs/dbraw/zinc/91/59/37/789915937.db2.gz XMLWSVOCFMEDIL-ZDUSSCGKSA-N 1 0 344.371 2.422 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173499494 791862386 /nfs/dbraw/zinc/86/23/86/791862386.db2.gz OTRQLXZNCIKDJH-AWEZNQCLSA-N 1 0 344.419 2.084 20 5 EEBDRO COC(=O)Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1[N+](=O)[O-] ZINC001171323867 792268693 /nfs/dbraw/zinc/26/86/93/792268693.db2.gz QBUKUFXBGSGJHG-UHFFFAOYSA-N 1 0 340.339 2.108 20 5 EEBDRO Cc1cc(NCCNC(=O)C23CCC[NH+](CCC2)C3)ccc1[N+](=O)[O-] ZINC001094223434 796005879 /nfs/dbraw/zinc/00/58/79/796005879.db2.gz KBWPRERDKQMYGS-UHFFFAOYSA-N 1 0 346.431 2.307 20 5 EEBDRO O=C1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]2CCCN12 ZINC001172921316 797151231 /nfs/dbraw/zinc/15/12/31/797151231.db2.gz OJAIFYLWKRKCTL-DOTOQJQBSA-N 1 0 329.400 2.149 20 5 EEBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911613 797169846 /nfs/dbraw/zinc/16/98/46/797169846.db2.gz CYPFHGHKGSMEBY-SJORKVTESA-N 1 0 331.416 2.443 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(CO)CC2)c1F ZINC001173183569 797280485 /nfs/dbraw/zinc/28/04/85/797280485.db2.gz ZJUWZXZMYVKNMC-LLVKDONJSA-N 1 0 326.368 2.378 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCc3c(cnn3C)C2)c1F ZINC001173192923 797282813 /nfs/dbraw/zinc/28/28/13/797282813.db2.gz NOZQXVXMYORSJJ-LLVKDONJSA-N 1 0 348.378 2.465 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001150158421 797313756 /nfs/dbraw/zinc/31/37/56/797313756.db2.gz NPQVJZJNLSONHK-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO CC(F)(F)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002222019 797740092 /nfs/dbraw/zinc/74/00/92/797740092.db2.gz PTMLBVBJDQLUPE-UHFFFAOYSA-N 1 0 327.331 2.331 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC001002411284 798030006 /nfs/dbraw/zinc/03/00/06/798030006.db2.gz MHDCWHRNAXTGOL-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2occc2[nH]1 ZINC001128491069 800758945 /nfs/dbraw/zinc/75/89/45/800758945.db2.gz MKKBWLSVZMBLDV-UHFFFAOYSA-N 1 0 328.328 2.189 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001086300909 802694332 /nfs/dbraw/zinc/69/43/32/802694332.db2.gz OBUOWOFKZYNNQU-HDJSIYSDSA-N 1 0 344.371 2.189 20 5 EEBDRO CCOC(=O)c1ccc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001168838162 803464182 /nfs/dbraw/zinc/46/41/82/803464182.db2.gz RJTBTCQPMMAHHU-UHFFFAOYSA-N 1 0 330.344 2.263 20 5 EEBDRO [NH3+]Cc1nnnn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001168918289 803517696 /nfs/dbraw/zinc/51/76/96/803517696.db2.gz AGAPMXCNNIJRSA-UHFFFAOYSA-N 1 0 327.351 2.371 20 5 EEBDRO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168991528 803559009 /nfs/dbraw/zinc/55/90/09/803559009.db2.gz HFYMIDKZHWRWBX-UKRRQHHQSA-N 1 0 332.404 2.134 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccn1 ZINC001168997761 803563488 /nfs/dbraw/zinc/56/34/88/803563488.db2.gz FOLLVPMQNTXEPW-VGWMRTNUSA-N 1 0 346.431 2.158 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cc(Cl)ncn3)CC2)C1 ZINC001169028449 803575754 /nfs/dbraw/zinc/57/57/54/803575754.db2.gz SBYYHJGBRNZQPJ-NWDGAFQWSA-N 1 0 340.811 2.419 20 5 EEBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169033626 803578975 /nfs/dbraw/zinc/57/89/75/803578975.db2.gz CQHYEWIASDLEQW-BFHYXJOUSA-N 1 0 327.425 2.373 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034967 803579097 /nfs/dbraw/zinc/57/90/97/803579097.db2.gz IXDYJUXEFPXDQQ-MJBXVCDLSA-N 1 0 327.425 2.278 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCCN3c3ncccn3)CC2)C1 ZINC001169018479 803586895 /nfs/dbraw/zinc/58/68/95/803586895.db2.gz COACGJPRYNTUDW-JKSUJKDBSA-N 1 0 345.447 2.357 20 5 EEBDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169021579 803588668 /nfs/dbraw/zinc/58/86/68/803588668.db2.gz LQCJPNYYSHRAJX-RYRKJORJSA-N 1 0 335.448 2.156 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052479 803595758 /nfs/dbraw/zinc/59/57/58/803595758.db2.gz GFEYOFBYELCRDX-RFGFWPKPSA-N 1 0 327.425 2.419 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@@H]1C ZINC000787240938 807064198 /nfs/dbraw/zinc/06/41/98/807064198.db2.gz SGJUZERIQMRPNS-WBMJQRKESA-N 1 0 344.371 2.299 20 5 EEBDRO Cc1cccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000787562773 807152319 /nfs/dbraw/zinc/15/23/19/807152319.db2.gz JKSYBAWNAJSMCS-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504352 807554767 /nfs/dbraw/zinc/55/47/67/807554767.db2.gz CJRFWQUAOWPHEW-OCCSQVGLSA-N 1 0 331.372 2.268 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000789509908 808033794 /nfs/dbraw/zinc/03/37/94/808033794.db2.gz WGLANSZYSMDUCW-HZPDHXFCSA-N 1 0 343.387 2.454 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000791123769 809064592 /nfs/dbraw/zinc/06/45/92/809064592.db2.gz JRHWBICJJRYONP-UHFFFAOYSA-N 1 0 329.759 2.142 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329234 809893975 /nfs/dbraw/zinc/89/39/75/809893975.db2.gz YBHZRMSMMWFOAD-LRDDRELGSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC001170355218 809902884 /nfs/dbraw/zinc/90/28/84/809902884.db2.gz XTJZLEJMHSSQRF-LBPRGKRZSA-N 1 0 330.388 2.326 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC001129491481 810873524 /nfs/dbraw/zinc/87/35/24/810873524.db2.gz LALXHYAVMMDGGY-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001129942205 811036769 /nfs/dbraw/zinc/03/67/69/811036769.db2.gz YCTVMUKGIIUFHS-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnc(C2CC2)c1 ZINC001130877440 812141941 /nfs/dbraw/zinc/14/19/41/812141941.db2.gz QXFWABXYSABNEA-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO COc1ccc(C)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130981681 812259838 /nfs/dbraw/zinc/25/98/38/812259838.db2.gz VQCKQGOSOGCITA-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808190380 812505973 /nfs/dbraw/zinc/50/59/73/812505973.db2.gz GIVQGNLVKOEHFM-BBRMVZONSA-N 1 0 329.404 2.461 20 5 EEBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000931601501 1126135756 /nfs/dbraw/zinc/13/57/56/1126135756.db2.gz QBYVALWXBSIRAP-KRWDZBQOSA-N 1 0 331.372 2.082 20 5 EEBDRO [NH3+]CC[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001522328808 1119359076 /nfs/dbraw/zinc/35/90/76/1119359076.db2.gz UPVFCPGKNMRTOB-CYBMUJFWSA-N 1 0 341.367 2.453 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236744765 535035457 /nfs/dbraw/zinc/03/54/57/535035457.db2.gz WVAYSYMSCGMMNX-SECBINFHSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129269805 223038176 /nfs/dbraw/zinc/03/81/76/223038176.db2.gz OYTJEHBYLAMTSA-ACJTYDJDSA-N 1 0 335.429 2.475 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000072858466 216319120 /nfs/dbraw/zinc/31/91/20/216319120.db2.gz VQSFRVBPECHOOB-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000415995491 239038585 /nfs/dbraw/zinc/03/85/85/239038585.db2.gz NBSRUYABCHNEHR-GZMMTYOYSA-N 1 0 334.298 2.235 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424035577 240804307 /nfs/dbraw/zinc/80/43/07/240804307.db2.gz SLWJAHGCBZBYCU-JTQLQIEISA-N 1 0 329.784 2.083 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000236721313 242333963 /nfs/dbraw/zinc/33/39/63/242333963.db2.gz GBIPAINQMLKLOV-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH3+])CC2)cc1OC ZINC000237050253 242460946 /nfs/dbraw/zinc/46/09/46/242460946.db2.gz FAWCTZBRGMCGFB-UHFFFAOYSA-N 1 0 337.376 2.002 20 5 EEBDRO Cn1cc(C[NH2+]CC2(O)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237906469 242849641 /nfs/dbraw/zinc/84/96/41/242849641.db2.gz LWHOTXFVCCIHTD-UHFFFAOYSA-N 1 0 330.388 2.390 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592684 243169533 /nfs/dbraw/zinc/16/95/33/243169533.db2.gz AFHMDVKOPCNKPG-KSSFIOAISA-N 1 0 347.415 2.228 20 5 EEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CO)CC(C)(C)C ZINC000451790776 243262936 /nfs/dbraw/zinc/26/29/36/243262936.db2.gz OYAPLWGLVZTVHD-HNNXBMFYSA-N 1 0 349.431 2.213 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247017508 243355078 /nfs/dbraw/zinc/35/50/78/243355078.db2.gz SFMLLASVJONIQI-GJZGRUSLSA-N 1 0 346.431 2.482 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459250099 245048816 /nfs/dbraw/zinc/04/88/16/245048816.db2.gz FKHOLLXXYUXHQV-CQSZACIVSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262777520 245174268 /nfs/dbraw/zinc/17/42/68/245174268.db2.gz LWZUMDHCVVZTDR-CMPLNLGQSA-N 1 0 341.795 2.131 20 5 EEBDRO C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000080835183 217337484 /nfs/dbraw/zinc/33/74/84/217337484.db2.gz XTNZFPUZQMFZME-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000490053521 245837943 /nfs/dbraw/zinc/83/79/43/245837943.db2.gz LKXOKJKZXTVWGP-IHRRRGAJSA-N 1 0 333.388 2.140 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+](C)C)cc1SC ZINC000264058256 246026180 /nfs/dbraw/zinc/02/61/80/246026180.db2.gz VNGQHLONDFAXSL-SNVBAGLBSA-N 1 0 341.433 2.395 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000491477829 246044389 /nfs/dbraw/zinc/04/43/89/246044389.db2.gz IBRKHOKURKTOJQ-DRDHIDPGSA-N 1 0 333.363 2.444 20 5 EEBDRO Cc1ccnc(Sc2nnc(C3CC[NH2+]CC3)n2C)c1[N+](=O)[O-] ZINC000265498088 247555768 /nfs/dbraw/zinc/55/57/68/247555768.db2.gz XCFCDNQYANUXAB-UHFFFAOYSA-N 1 0 334.405 2.045 20 5 EEBDRO CC1CC[NH+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266636533 248392053 /nfs/dbraw/zinc/39/20/53/248392053.db2.gz ZUPVLSIHILJOAX-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000153748290 224152020 /nfs/dbraw/zinc/15/20/20/224152020.db2.gz IPPPFSSAHWCULO-CYBMUJFWSA-N 1 0 325.796 2.343 20 5 EEBDRO COc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000174704613 533197305 /nfs/dbraw/zinc/19/73/05/533197305.db2.gz DOGXFMASPPKQOK-DOTOQJQBSA-N 1 0 348.403 2.148 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269242870 255551685 /nfs/dbraw/zinc/55/16/85/255551685.db2.gz YSAFYZLJIYYJDO-JSGCOSHPSA-N 1 0 332.404 2.004 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000268033930 256106579 /nfs/dbraw/zinc/10/65/79/256106579.db2.gz MEEOSLVKEIMADJ-MRXNPFEDSA-N 1 0 337.445 2.081 20 5 EEBDRO COC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000271210974 256220121 /nfs/dbraw/zinc/22/01/21/256220121.db2.gz YAVOLHQJSBKRSZ-CYBMUJFWSA-N 1 0 330.388 2.464 20 5 EEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000119075824 221237885 /nfs/dbraw/zinc/23/78/85/221237885.db2.gz BDPGMPPWBMPETO-GFCCVEGCSA-N 1 0 335.408 2.011 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1C ZINC000261813214 291994217 /nfs/dbraw/zinc/99/42/17/291994217.db2.gz VYGZEDBDEHNCCR-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262575418 152293030 /nfs/dbraw/zinc/29/30/30/152293030.db2.gz IPUPWWXUHOSDKI-NSHDSACASA-N 1 0 346.412 2.448 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245443769 160236057 /nfs/dbraw/zinc/23/60/57/160236057.db2.gz JCPAYZHHAICDFF-ZIAGYGMSSA-N 1 0 334.420 2.195 20 5 EEBDRO Cn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343380242 161130369 /nfs/dbraw/zinc/13/03/69/161130369.db2.gz ASLFWHFAIKLBJJ-SBURYJAWSA-N 1 0 328.372 2.461 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C(C)C)cc1SC ZINC000343781914 161168021 /nfs/dbraw/zinc/16/80/21/161168021.db2.gz QSSCPVRDOBSRNW-UHFFFAOYSA-N 1 0 341.433 2.395 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000344130958 161200772 /nfs/dbraw/zinc/20/07/72/161200772.db2.gz IUPSHBVRBYGIRL-OCCSQVGLSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344705575 161237668 /nfs/dbraw/zinc/23/76/68/161237668.db2.gz KWDLIVVFQJBQKB-OAHLLOKOSA-N 1 0 335.404 2.454 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000344750426 161242873 /nfs/dbraw/zinc/24/28/73/161242873.db2.gz VHQZPHJMDXNUFA-STQMWFEESA-N 1 0 343.836 2.366 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000346323503 161363118 /nfs/dbraw/zinc/36/31/18/161363118.db2.gz LBAYCYBDHSKGKQ-ZDUSSCGKSA-N 1 0 334.376 2.339 20 5 EEBDRO Cn1c2ccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2oc1=O ZINC000352717382 162258573 /nfs/dbraw/zinc/25/85/73/162258573.db2.gz VUWTYSADXYHCIS-UHFFFAOYSA-N 1 0 327.340 2.372 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000360012153 164215931 /nfs/dbraw/zinc/21/59/31/164215931.db2.gz RWXKTPFMYISDKC-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000360800841 164382884 /nfs/dbraw/zinc/38/28/84/164382884.db2.gz IMXFQKAVFYFZHB-UHFFFAOYSA-N 1 0 345.403 2.099 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)C1CC1 ZINC000360870724 164394180 /nfs/dbraw/zinc/39/41/80/164394180.db2.gz IGCBJFDYWFTEAV-ZACQAIPSSA-N 1 0 334.416 2.151 20 5 EEBDRO Cc1ccc([C@@]2(C)CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028245 166380387 /nfs/dbraw/zinc/38/03/87/166380387.db2.gz CJUPNDZJLRLKRE-MSOLQXFVSA-N 1 0 344.415 2.124 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000374380946 167029533 /nfs/dbraw/zinc/02/95/33/167029533.db2.gz POUVDYBDMMSXEN-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412644 167038092 /nfs/dbraw/zinc/03/80/92/167038092.db2.gz VFHUZHVSAMDVQM-JJRVBVJISA-N 1 0 345.399 2.059 20 5 EEBDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000375392830 167125785 /nfs/dbraw/zinc/12/57/85/167125785.db2.gz QUWQOXMPGBGKDZ-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000272730271 269013641 /nfs/dbraw/zinc/01/36/41/269013641.db2.gz PDNZWVUEQYOXQK-CYBMUJFWSA-N 1 0 333.392 2.185 20 5 EEBDRO COCCSCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000278494932 269234089 /nfs/dbraw/zinc/23/40/89/269234089.db2.gz KCYXLPFMWOBRQQ-UHFFFAOYSA-N 1 0 339.461 2.487 20 5 EEBDRO CS[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000342707288 274183937 /nfs/dbraw/zinc/18/39/37/274183937.db2.gz YMOWRJQUNDEOIL-NXEZZACHSA-N 1 0 339.446 2.081 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186695637 274306592 /nfs/dbraw/zinc/30/65/92/274306592.db2.gz ICXNLRVWFNHBMV-PELKAZGASA-N 1 0 342.193 2.085 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000277597816 274318204 /nfs/dbraw/zinc/31/82/04/274318204.db2.gz OGNLHGOXTYVCBA-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000286195271 274846765 /nfs/dbraw/zinc/84/67/65/274846765.db2.gz RXYVLIGOUJFGKM-AWEZNQCLSA-N 1 0 343.387 2.124 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)C2)CC1 ZINC000287153824 274939888 /nfs/dbraw/zinc/93/98/88/274939888.db2.gz GHBKHNVYSPXNEN-MRXNPFEDSA-N 1 0 346.431 2.014 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107601127 275011258 /nfs/dbraw/zinc/01/12/58/275011258.db2.gz PJIYVMDGVSTHAB-CYBMUJFWSA-N 1 0 348.359 2.203 20 5 EEBDRO CCC[C@@]1(CO)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000288721339 275082342 /nfs/dbraw/zinc/08/23/42/275082342.db2.gz FYWNINDJILVNCW-QGZVFWFLSA-N 1 0 335.404 2.326 20 5 EEBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289438910 275115942 /nfs/dbraw/zinc/11/59/42/275115942.db2.gz OFRLXORJPIEWOO-NVXWUHKLSA-N 1 0 348.403 2.244 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCOC)CC[NH+](C)C ZINC000289888359 275158637 /nfs/dbraw/zinc/15/86/37/275158637.db2.gz SUIWWHPXHTVXCD-UHFFFAOYSA-N 1 0 338.408 2.199 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291469258 275308406 /nfs/dbraw/zinc/30/84/06/275308406.db2.gz BXIJBLVGDDLFSX-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292136281 275382419 /nfs/dbraw/zinc/38/24/19/275382419.db2.gz IUYODDNVDRCEPG-KDOFPFPSSA-N 1 0 333.432 2.434 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000265008522 275656682 /nfs/dbraw/zinc/65/66/82/275656682.db2.gz WIIJGEJSHIJKNN-UHFFFAOYSA-N 1 0 346.431 2.454 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238022105 279650421 /nfs/dbraw/zinc/65/04/21/279650421.db2.gz MUZUJMYPBIDRLB-IUODEOHRSA-N 1 0 343.387 2.028 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000491198665 288161704 /nfs/dbraw/zinc/16/17/04/288161704.db2.gz DGJVNPSTBBYJJL-VUEDLFODSA-N 1 0 347.415 2.224 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293193569 293148347 /nfs/dbraw/zinc/14/83/47/293148347.db2.gz WOUZRLNBZCTPJC-MRXNPFEDSA-N 1 0 338.404 2.369 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293584183 293244789 /nfs/dbraw/zinc/24/47/89/293244789.db2.gz ANCKSMUKWRGCEI-INIZCTEOSA-N 1 0 337.807 2.345 20 5 EEBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294079460 293365738 /nfs/dbraw/zinc/36/57/38/293365738.db2.gz LFMTYISNZJBNGE-PELKAZGASA-N 1 0 331.294 2.228 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000294252358 293407267 /nfs/dbraw/zinc/40/72/67/293407267.db2.gz YBOHEIAQTPHXGX-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000296078955 293886883 /nfs/dbraw/zinc/88/68/83/293886883.db2.gz SHWLMNJRQJZAML-CYBMUJFWSA-N 1 0 348.403 2.472 20 5 EEBDRO NC(=O)c1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000342774181 295188149 /nfs/dbraw/zinc/18/81/49/295188149.db2.gz BUQILDBIPHDSKT-SWLSCSKDSA-N 1 0 344.415 2.147 20 5 EEBDRO COc1cccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000192456162 295288079 /nfs/dbraw/zinc/28/80/79/295288079.db2.gz DWKAJRZOCQOMPV-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331867440 311916469 /nfs/dbraw/zinc/91/64/69/311916469.db2.gz OFQLDNGLSNZGQV-UKPHBRMFSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332488978 312014950 /nfs/dbraw/zinc/01/49/50/312014950.db2.gz ODHCXERDXVXJES-HOCLYGCPSA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1ccc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000413477807 312869279 /nfs/dbraw/zinc/86/92/79/312869279.db2.gz HKMFYDLIDNJRQV-UHFFFAOYSA-N 1 0 348.447 2.112 20 5 EEBDRO COC(=O)c1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000414619078 313050549 /nfs/dbraw/zinc/05/05/49/313050549.db2.gz NKERXRHBFZRRBB-LBPRGKRZSA-N 1 0 334.332 2.477 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414951841 313113901 /nfs/dbraw/zinc/11/39/01/313113901.db2.gz QEWFWJCJKOKTTN-BDAKNGLRSA-N 1 0 344.318 2.445 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414953920 313114257 /nfs/dbraw/zinc/11/42/57/313114257.db2.gz SBBATXRZOAXQBN-QMMMGPOBSA-N 1 0 330.291 2.022 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414959862 313115723 /nfs/dbraw/zinc/11/57/23/313115723.db2.gz XRQKYAUFSDCABN-VIFPVBQESA-N 1 0 344.318 2.412 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986860 313678113 /nfs/dbraw/zinc/67/81/13/313678113.db2.gz IPMLDJKQNKDUEJ-WDEREUQCSA-N 1 0 340.811 2.169 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000417998346 313682517 /nfs/dbraw/zinc/68/25/17/313682517.db2.gz UVELGWSGBIWXHQ-LLVKDONJSA-N 1 0 340.811 2.090 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000418084382 313707995 /nfs/dbraw/zinc/70/79/95/313707995.db2.gz VIDNTIPNTICDSC-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420451694 313962989 /nfs/dbraw/zinc/96/29/89/313962989.db2.gz VWOVIKAFIMQJFG-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CC(F)F)c2ccccc2)c1 ZINC000420993664 314017381 /nfs/dbraw/zinc/01/73/81/314017381.db2.gz MAYZZZNWERNPLQ-UONOGXRCSA-N 1 0 340.330 2.138 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000421743344 314153015 /nfs/dbraw/zinc/15/30/15/314153015.db2.gz WDOGACFKOAAKIU-GASCZTMLSA-N 1 0 349.431 2.441 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000422027677 314171655 /nfs/dbraw/zinc/17/16/55/314171655.db2.gz VSLLHQHIEYHGJD-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435368632 314897018 /nfs/dbraw/zinc/89/70/18/314897018.db2.gz BXCKHXVWQPSBJD-INIZCTEOSA-N 1 0 329.404 2.179 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440073476 315110730 /nfs/dbraw/zinc/11/07/30/315110730.db2.gz DXCASQYRKLIWKJ-GFCCVEGCSA-N 1 0 343.449 2.220 20 5 EEBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493057413 315866110 /nfs/dbraw/zinc/86/61/10/315866110.db2.gz UYJKMZJOVNASPJ-KQLNYGGHSA-N 1 0 329.400 2.456 20 5 EEBDRO CCc1noc(CC)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514824802 316427053 /nfs/dbraw/zinc/42/70/53/316427053.db2.gz BCLCEZMRYYVZKM-CYBMUJFWSA-N 1 0 349.387 2.237 20 5 EEBDRO Cc1nn(CCC(=O)Nc2cccc3c2CC[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000519597352 316796261 /nfs/dbraw/zinc/79/62/61/316796261.db2.gz UHPRGRJLBWQSTC-UHFFFAOYSA-N 1 0 343.387 2.083 20 5 EEBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000520796288 316878894 /nfs/dbraw/zinc/87/88/94/316878894.db2.gz DJHPCCYECXHVAF-SNVBAGLBSA-N 1 0 329.809 2.161 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000535810211 317983370 /nfs/dbraw/zinc/98/33/70/317983370.db2.gz RLNVCWTYQWCUMI-UHFFFAOYSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563169095 318979478 /nfs/dbraw/zinc/97/94/78/318979478.db2.gz FMQARFLXEJHUPM-OLZOCXBDSA-N 1 0 334.420 2.053 20 5 EEBDRO CC(C)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566063466 319239805 /nfs/dbraw/zinc/23/98/05/319239805.db2.gz WJBAHCISKXJCHC-KBXCAEBGSA-N 1 0 346.431 2.496 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000567112414 319349785 /nfs/dbraw/zinc/34/97/85/319349785.db2.gz WMEGPIBVIFETND-SFYZADRCSA-N 1 0 330.182 2.213 20 5 EEBDRO [NH3+]CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000570054643 319632874 /nfs/dbraw/zinc/63/28/74/319632874.db2.gz TZQASIPPMNWSEO-UHFFFAOYSA-N 1 0 325.796 2.378 20 5 EEBDRO CSCC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N(C)C ZINC000572541951 319855308 /nfs/dbraw/zinc/85/53/08/319855308.db2.gz OPFPGTHFECPAON-KBPBESRZSA-N 1 0 337.445 2.382 20 5 EEBDRO COc1cc(C)ccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575862166 320119995 /nfs/dbraw/zinc/11/99/95/320119995.db2.gz VVPRAVNSHKIOHQ-MRXNPFEDSA-N 1 0 346.383 2.441 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183419198 323407412 /nfs/dbraw/zinc/40/74/12/323407412.db2.gz CAWQDRZXKLOIAY-KRWDZBQOSA-N 1 0 327.384 2.367 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581022289 324172010 /nfs/dbraw/zinc/17/20/10/324172010.db2.gz QYNYYPQOYJAQBA-HOTGVXAUSA-N 1 0 349.431 2.349 20 5 EEBDRO CCSc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581544338 324275880 /nfs/dbraw/zinc/27/58/80/324275880.db2.gz ZCIMMFQTSXOIGQ-AWEZNQCLSA-N 1 0 336.417 2.054 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000583983814 324771386 /nfs/dbraw/zinc/77/13/86/324771386.db2.gz OVEKYOPCMFKXRR-HNNXBMFYSA-N 1 0 332.404 2.126 20 5 EEBDRO CC[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](CC)CC ZINC000347461598 465035686 /nfs/dbraw/zinc/03/56/86/465035686.db2.gz GIUCYLNOIAZLEP-MRXNPFEDSA-N 1 0 335.404 2.305 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296285804 465143096 /nfs/dbraw/zinc/14/30/96/465143096.db2.gz ZECZOMGRUAWERA-KNXALSJPSA-N 1 0 335.404 2.207 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358484123 465152411 /nfs/dbraw/zinc/15/24/11/465152411.db2.gz YBNCJERHYKFUEM-UHFFFAOYSA-N 1 0 325.384 2.323 20 5 EEBDRO CCOc1cc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000339426958 465263434 /nfs/dbraw/zinc/26/34/34/465263434.db2.gz DJTWDYBVSSPSPH-HNNXBMFYSA-N 1 0 348.447 2.115 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000298028261 465278622 /nfs/dbraw/zinc/27/86/22/465278622.db2.gz BVTAPJGBXQSZCZ-NSHDSACASA-N 1 0 339.392 2.023 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590567136 468273861 /nfs/dbraw/zinc/27/38/61/468273861.db2.gz XRCZVXKCEPRYDI-HZMBPMFUSA-N 1 0 325.796 2.342 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351852616 465399763 /nfs/dbraw/zinc/39/97/63/465399763.db2.gz WISBDTVMRSHGNX-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)CC(C)C ZINC000112915076 462552964 /nfs/dbraw/zinc/55/29/64/462552964.db2.gz QYTYDDZGTUQCBC-CYBMUJFWSA-N 1 0 339.440 2.123 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113301468 462588157 /nfs/dbraw/zinc/58/81/57/462588157.db2.gz LVXXIVXPIDTLGZ-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087087195 462588376 /nfs/dbraw/zinc/58/83/76/462588376.db2.gz ODNFEVZPMRHMRX-CYBMUJFWSA-N 1 0 334.420 2.393 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000590689598 468306899 /nfs/dbraw/zinc/30/68/99/468306899.db2.gz CBHDFUBPUQJRAJ-CQSZACIVSA-N 1 0 333.388 2.207 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000114244447 462634643 /nfs/dbraw/zinc/63/46/43/462634643.db2.gz OHJWGKFSQFJHEO-ZDUSSCGKSA-N 1 0 335.404 2.484 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063726804 462666601 /nfs/dbraw/zinc/66/66/01/462666601.db2.gz DXVFIQGOCFAREU-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO NC(=O)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129202 462688109 /nfs/dbraw/zinc/68/81/09/462688109.db2.gz QITSRYBGJHFCEW-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000065244195 462747024 /nfs/dbraw/zinc/74/70/24/462747024.db2.gz VPYNTAQPVHWAEE-CYBMUJFWSA-N 1 0 335.404 2.342 20 5 EEBDRO CCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015427 462766987 /nfs/dbraw/zinc/76/69/87/462766987.db2.gz YMJWYGAOGOHKPV-GFCCVEGCSA-N 1 0 329.422 2.041 20 5 EEBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000133259754 462912557 /nfs/dbraw/zinc/91/25/57/462912557.db2.gz JYTPGTIESIBDRW-UHFFFAOYSA-N 1 0 334.376 2.205 20 5 EEBDRO O=C(CN1CCc2ccccc2[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000133826637 462974576 /nfs/dbraw/zinc/97/45/76/462974576.db2.gz JZRQZKBKLYAOLK-KRWDZBQOSA-N 1 0 341.367 2.125 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[NH+](C)C)CC1 ZINC000120335413 462989296 /nfs/dbraw/zinc/98/92/96/462989296.db2.gz JAZRWDOKNLEXKK-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO C[N@H+](CCC1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120611631 463019067 /nfs/dbraw/zinc/01/90/67/463019067.db2.gz XHGZIJGLNRHMGO-QGZVFWFLSA-N 1 0 347.415 2.449 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712117 463169018 /nfs/dbraw/zinc/16/90/18/463169018.db2.gz FUHUAAOCLMQNHI-MRXNPFEDSA-N 1 0 346.383 2.475 20 5 EEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053749838 463187446 /nfs/dbraw/zinc/18/74/46/463187446.db2.gz NWJDTAADTTYYAA-OCCSQVGLSA-N 1 0 328.372 2.488 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140032355 463336881 /nfs/dbraw/zinc/33/68/81/463336881.db2.gz XGCITRUAKORYSF-CKEIUWERSA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000125841507 463583978 /nfs/dbraw/zinc/58/39/78/463583978.db2.gz BEDXHCSBPSDXRF-KBPBESRZSA-N 1 0 346.431 2.265 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109757217 463648167 /nfs/dbraw/zinc/64/81/67/463648167.db2.gz MSHRYNOFCIBZCN-YPMHNXCESA-N 1 0 334.294 2.361 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000043749945 463655668 /nfs/dbraw/zinc/65/56/68/463655668.db2.gz KRMSBPBRLAQDCX-AWEZNQCLSA-N 1 0 334.401 2.271 20 5 EEBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112380101 463700580 /nfs/dbraw/zinc/70/05/80/463700580.db2.gz QUTFMAJMVYOSRK-MEDUHNTESA-N 1 0 326.393 2.499 20 5 EEBDRO Cc1nnc([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268466696 463754564 /nfs/dbraw/zinc/75/45/64/463754564.db2.gz LUWMTEZYLPWERK-CYBMUJFWSA-N 1 0 331.376 2.280 20 5 EEBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193896397 463755549 /nfs/dbraw/zinc/75/55/49/463755549.db2.gz PPJABOGLQRBWLE-VXGBXAGGSA-N 1 0 348.403 2.078 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000171265023 463830702 /nfs/dbraw/zinc/83/07/02/463830702.db2.gz AGKKRPXZQDQJEM-AVGNSLFASA-N 1 0 335.404 2.481 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000287218779 463837066 /nfs/dbraw/zinc/83/70/66/463837066.db2.gz FRTWNSLBGSRMGD-WBVHZDCISA-N 1 0 346.431 2.406 20 5 EEBDRO COc1cc(-c2nc(C3([NH3+])CCCC3)no2)c([N+](=O)[O-])cc1OC ZINC000261765402 463852599 /nfs/dbraw/zinc/85/25/99/463852599.db2.gz MTXYGWVUEHNSMF-UHFFFAOYSA-N 1 0 334.332 2.390 20 5 EEBDRO COC(=O)c1cc(C)nc(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000283416785 463877009 /nfs/dbraw/zinc/87/70/09/463877009.db2.gz ANDUEJOWZQYURF-UHFFFAOYSA-N 1 0 336.392 2.052 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185793995 463879782 /nfs/dbraw/zinc/87/97/82/463879782.db2.gz FVHXEIIGIFOUOD-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178726718 463953347 /nfs/dbraw/zinc/95/33/47/463953347.db2.gz NXGFUOSWMWPYLL-GFCCVEGCSA-N 1 0 336.392 2.039 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269378938 463970317 /nfs/dbraw/zinc/97/03/17/463970317.db2.gz OLNOTRKLPGWBQM-UHFFFAOYSA-N 1 0 337.424 2.293 20 5 EEBDRO CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178897775 464006927 /nfs/dbraw/zinc/00/69/27/464006927.db2.gz KRWOAIZOTDZGQI-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186717579 464055847 /nfs/dbraw/zinc/05/58/47/464055847.db2.gz IUZXVABBJSGHQK-KHIZAZIESA-N 1 0 335.404 2.305 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262593 464082633 /nfs/dbraw/zinc/08/26/33/464082633.db2.gz MKBMXIYQONJGBT-BMFZPTHFSA-N 1 0 345.399 2.131 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172789526 464143910 /nfs/dbraw/zinc/14/39/10/464143910.db2.gz GARNLVNLWCMZHK-CYBMUJFWSA-N 1 0 332.404 2.400 20 5 EEBDRO Cc1ccc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000269978862 464146537 /nfs/dbraw/zinc/14/65/37/464146537.db2.gz ZUVHNPRZUMLUAS-UHFFFAOYSA-N 1 0 332.448 2.367 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270063294 464175973 /nfs/dbraw/zinc/17/59/73/464175973.db2.gz FOXDJGBSPIQFRG-HNNXBMFYSA-N 1 0 347.415 2.407 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000292429708 464230415 /nfs/dbraw/zinc/23/04/15/464230415.db2.gz XDBINBNIKWFCKX-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1nn(CCC(=O)Nc2ccc(C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000263989349 464263445 /nfs/dbraw/zinc/26/34/45/464263445.db2.gz NIQAERMOQSZBMU-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO CCC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224293 464268166 /nfs/dbraw/zinc/26/81/66/464268166.db2.gz VTWNFXUIWKCSSR-AWEZNQCLSA-N 1 0 331.376 2.179 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000173583917 464288937 /nfs/dbraw/zinc/28/89/37/464288937.db2.gz HRRLIDPXAGRQOK-CQSZACIVSA-N 1 0 348.447 2.465 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000281026733 464305317 /nfs/dbraw/zinc/30/53/17/464305317.db2.gz OWFKOZICVROKLC-UHFFFAOYSA-N 1 0 331.372 2.253 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000281029102 464306722 /nfs/dbraw/zinc/30/67/22/464306722.db2.gz NAGSFKOXDBZSHZ-CYBMUJFWSA-N 1 0 333.388 2.049 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237608656 464347924 /nfs/dbraw/zinc/34/79/24/464347924.db2.gz PDDNFYORXMCKCR-JBLDHEPKSA-N 1 0 341.795 2.354 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237661385 464359167 /nfs/dbraw/zinc/35/91/67/464359167.db2.gz JEEFNIFGFNRJHD-OLZOCXBDSA-N 1 0 332.404 2.017 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264586832 464383937 /nfs/dbraw/zinc/38/39/37/464383937.db2.gz KWQWVLBMHDJMNX-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO CCCCOCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271809543 464385114 /nfs/dbraw/zinc/38/51/14/464385114.db2.gz RFVQAHJOTICRRC-CQSZACIVSA-N 1 0 337.420 2.487 20 5 EEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237864606 464393435 /nfs/dbraw/zinc/39/34/35/464393435.db2.gz CKWZSRNHVNWJPS-JKSUJKDBSA-N 1 0 334.420 2.421 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294331845 464468563 /nfs/dbraw/zinc/46/85/63/464468563.db2.gz OZYXKDHKFSCALC-SIXLDLHFSA-N 1 0 334.416 2.436 20 5 EEBDRO CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000294581236 464543172 /nfs/dbraw/zinc/54/31/72/464543172.db2.gz WKRBLOLWTMABBC-ZDUSSCGKSA-N 1 0 349.416 2.073 20 5 EEBDRO CC[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272397214 464592065 /nfs/dbraw/zinc/59/20/65/464592065.db2.gz AGDOGFBEKNCSST-UHFFFAOYSA-N 1 0 327.331 2.287 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591147237 468414664 /nfs/dbraw/zinc/41/46/64/468414664.db2.gz ZEQOMXRWNWPANX-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285757355 464684943 /nfs/dbraw/zinc/68/49/43/464684943.db2.gz ZDXOWPGTLSGXPA-KGLIPLIRSA-N 1 0 348.321 2.408 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000182621870 464695765 /nfs/dbraw/zinc/69/57/65/464695765.db2.gz DJMSVMFYYVQMMT-BXUZGUMPSA-N 1 0 330.344 2.249 20 5 EEBDRO CC(C)[C@@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176247018 464731206 /nfs/dbraw/zinc/73/12/06/464731206.db2.gz BQABTLUHEONHIZ-MRXNPFEDSA-N 1 0 332.404 2.310 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936147 464739984 /nfs/dbraw/zinc/73/99/84/464739984.db2.gz FAQUPTMWRLQFMO-BSLXNSKLSA-N 1 0 333.388 2.325 20 5 EEBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000295221672 464751013 /nfs/dbraw/zinc/75/10/13/464751013.db2.gz MUYSTZPXEJVTIP-HNNXBMFYSA-N 1 0 336.388 2.444 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286325497 464881733 /nfs/dbraw/zinc/88/17/33/464881733.db2.gz DOSWDBLLSBPVML-QHEVRDBASA-N 1 0 345.399 2.197 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000295590250 464894083 /nfs/dbraw/zinc/89/40/83/464894083.db2.gz BYCIDFGSIHRFRQ-NWDGAFQWSA-N 1 0 326.418 2.459 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000286432310 464915626 /nfs/dbraw/zinc/91/56/26/464915626.db2.gz WDGFXVFETJPJBW-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H]1CN(CC[N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000192449913 464926838 /nfs/dbraw/zinc/92/68/38/464926838.db2.gz FGIQNDSXQOJFTP-GASCZTMLSA-N 1 0 337.420 2.015 20 5 EEBDRO CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282828746 464965274 /nfs/dbraw/zinc/96/52/74/464965274.db2.gz SDUDRGBHPJZLSZ-INIZCTEOSA-N 1 0 338.404 2.194 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261470 464996787 /nfs/dbraw/zinc/99/67/87/464996787.db2.gz ZIGPOUILBKPTBQ-MEDUHNTESA-N 1 0 344.415 2.382 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273686 465002482 /nfs/dbraw/zinc/00/24/82/465002482.db2.gz VTZLOWZWIKBUAL-MLGOLLRUSA-N 1 0 331.416 2.471 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358847227 465355693 /nfs/dbraw/zinc/35/56/93/465355693.db2.gz FQUPUBBHJYPZRH-CQSZACIVSA-N 1 0 328.372 2.317 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000593915636 468431466 /nfs/dbraw/zinc/43/14/66/468431466.db2.gz WGJMEEBLDITYCO-KSSFIOAISA-N 1 0 346.431 2.374 20 5 EEBDRO Cn1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000337501108 465401204 /nfs/dbraw/zinc/40/12/04/465401204.db2.gz BIAFZOSRCYNALT-UHFFFAOYSA-N 1 0 332.360 2.126 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000593918194 468432497 /nfs/dbraw/zinc/43/24/97/468432497.db2.gz BYTJNGQJFVROCR-OIISXLGYSA-N 1 0 347.415 2.025 20 5 EEBDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000339759055 465494006 /nfs/dbraw/zinc/49/40/06/465494006.db2.gz PLVUDGZBJGIECW-IRXDYDNUSA-N 1 0 336.388 2.013 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298768411 465499708 /nfs/dbraw/zinc/49/97/08/465499708.db2.gz WLLAAQLDYYHEAD-ZBFHGGJFSA-N 1 0 332.404 2.363 20 5 EEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000591279360 468437390 /nfs/dbraw/zinc/43/73/90/468437390.db2.gz NEFNZQULTDVEME-VIFPVBQESA-N 1 0 344.318 2.460 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298912376 465539960 /nfs/dbraw/zinc/53/99/60/465539960.db2.gz DSQMMNSQQJRKEB-KGLIPLIRSA-N 1 0 348.403 2.029 20 5 EEBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000343807027 465557093 /nfs/dbraw/zinc/55/70/93/465557093.db2.gz NXLGFYZKQYDGIQ-CYBMUJFWSA-N 1 0 330.388 2.931 20 5 EEBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000299082039 465593012 /nfs/dbraw/zinc/59/30/12/465593012.db2.gz RBTAYDSVMICNMN-UHFFFAOYSA-N 1 0 343.387 2.317 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356891859 465605943 /nfs/dbraw/zinc/60/59/43/465605943.db2.gz WNODDYSJFSRQPO-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccsc1 ZINC000299375323 465721804 /nfs/dbraw/zinc/72/18/04/465721804.db2.gz FLLSSLPGLLDCEJ-CQSZACIVSA-N 1 0 334.401 2.271 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccsc1 ZINC000299375319 465722372 /nfs/dbraw/zinc/72/23/72/465722372.db2.gz FLLSSLPGLLDCEJ-AWEZNQCLSA-N 1 0 334.401 2.271 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371345458 465733195 /nfs/dbraw/zinc/73/31/95/465733195.db2.gz QTGIGUODLDNDOI-CYBMUJFWSA-N 1 0 340.383 2.453 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371360925 465742450 /nfs/dbraw/zinc/74/24/50/465742450.db2.gz LORWNUOULQPASA-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299536877 465790571 /nfs/dbraw/zinc/79/05/71/465790571.db2.gz ODSPSMMXHUOWBK-CYBMUJFWSA-N 1 0 343.387 2.172 20 5 EEBDRO COc1ccc(CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000569216376 468456857 /nfs/dbraw/zinc/45/68/57/468456857.db2.gz BGXNWQFCLHOYNI-OAHLLOKOSA-N 1 0 347.415 2.137 20 5 EEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301175671 465916236 /nfs/dbraw/zinc/91/62/36/465916236.db2.gz LLLOABHJYWQPMK-LLVKDONJSA-N 1 0 340.811 2.248 20 5 EEBDRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361346050 465925900 /nfs/dbraw/zinc/92/59/00/465925900.db2.gz LZYHOXCEJJZHKO-CQSZACIVSA-N 1 0 348.447 2.188 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353514465 465946393 /nfs/dbraw/zinc/94/63/93/465946393.db2.gz GYRGJKLVXUSXIX-YOEHRIQHSA-N 1 0 341.415 2.244 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362699427 465951090 /nfs/dbraw/zinc/95/10/90/465951090.db2.gz OWVNLZAQFLQLRE-JLJPHGGASA-N 1 0 338.404 2.374 20 5 EEBDRO COCc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569266827 468466507 /nfs/dbraw/zinc/46/65/07/468466507.db2.gz MGWORERTAKOKGZ-MRXNPFEDSA-N 1 0 346.383 2.271 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302140963 466103777 /nfs/dbraw/zinc/10/37/77/466103777.db2.gz DVSOMDGHNHTJKR-NSHDSACASA-N 1 0 344.362 2.244 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH+](C)C ZINC000331614036 466162996 /nfs/dbraw/zinc/16/29/96/466162996.db2.gz PMFLZYQQGSLDPH-LSDHHAIUSA-N 1 0 348.428 2.194 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000353869469 466216683 /nfs/dbraw/zinc/21/66/83/466216683.db2.gz LAGBKVIZGLQJMM-SMDDNHRTSA-N 1 0 326.418 2.383 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331749018 466230674 /nfs/dbraw/zinc/23/06/74/466230674.db2.gz ZSVKDYRNHZRASU-KSSFIOAISA-N 1 0 347.415 2.105 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000304267353 466271832 /nfs/dbraw/zinc/27/18/32/466271832.db2.gz BAKFWJALVTYLQZ-KRWDZBQOSA-N 1 0 330.388 2.032 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000305429768 466407457 /nfs/dbraw/zinc/40/74/57/466407457.db2.gz DIZRYZPUVVOIGZ-OAHLLOKOSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340919561 466434664 /nfs/dbraw/zinc/43/46/64/466434664.db2.gz SFYULJNVWLKGOY-LBPRGKRZSA-N 1 0 349.412 2.110 20 5 EEBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000305739380 466442926 /nfs/dbraw/zinc/44/29/26/466442926.db2.gz MWCCEPMIUXMRTP-UHFFFAOYSA-N 1 0 335.404 2.408 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341002632 466504737 /nfs/dbraw/zinc/50/47/37/466504737.db2.gz ODBBZSUEZQWXBU-AWEZNQCLSA-N 1 0 332.404 2.140 20 5 EEBDRO CCC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318536 466558984 /nfs/dbraw/zinc/55/89/84/466558984.db2.gz UBVKJBOEYQBUSO-IUODEOHRSA-N 1 0 326.418 2.460 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354432891 466563859 /nfs/dbraw/zinc/56/38/59/466563859.db2.gz CGFYQFXNVTZURQ-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591678802 468501467 /nfs/dbraw/zinc/50/14/67/468501467.db2.gz QMKWDDSQSJFVIW-JTQLQIEISA-N 1 0 342.193 2.311 20 5 EEBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000374686896 466714759 /nfs/dbraw/zinc/71/47/59/466714759.db2.gz OVTGFIHDLCTAAJ-VZEFYGNVSA-N 1 0 348.399 2.321 20 5 EEBDRO CCOc1cccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000364943301 466724285 /nfs/dbraw/zinc/72/42/85/466724285.db2.gz KYHPVRPDJYPDEE-HNNXBMFYSA-N 1 0 348.447 2.210 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000410855238 466751269 /nfs/dbraw/zinc/75/12/69/466751269.db2.gz VYXDUOFIOPAEOQ-GHMZBOCLSA-N 1 0 331.376 2.026 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000423492315 466756561 /nfs/dbraw/zinc/75/65/61/466756561.db2.gz MNXMMWYUOQXBRD-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423829685 466864450 /nfs/dbraw/zinc/86/44/50/466864450.db2.gz SJCRZMNVZRNMPS-CABCVRRESA-N 1 0 349.435 2.253 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000365601879 466878069 /nfs/dbraw/zinc/87/80/69/466878069.db2.gz QZOSVXNRDFGWNJ-DOTOQJQBSA-N 1 0 337.395 2.467 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418096331 467043424 /nfs/dbraw/zinc/04/34/24/467043424.db2.gz WXKCIQHCIJXTAC-LLVKDONJSA-N 1 0 346.309 2.246 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370990034 467065749 /nfs/dbraw/zinc/06/57/49/467065749.db2.gz BIOSROJRLFSFII-KBPBESRZSA-N 1 0 333.388 2.282 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418598494 467133473 /nfs/dbraw/zinc/13/34/73/467133473.db2.gz GRGBASNSMGWAEJ-HIFRSBDPSA-N 1 0 334.420 2.482 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420287722 467339043 /nfs/dbraw/zinc/33/90/43/467339043.db2.gz RLMQNJIFYIKGOB-DGCLKSJQSA-N 1 0 332.404 2.416 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420294875 467341851 /nfs/dbraw/zinc/34/18/51/467341851.db2.gz OTXXGCJFUBVEFE-SNVBAGLBSA-N 1 0 340.811 2.246 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370985 467381841 /nfs/dbraw/zinc/38/18/41/467381841.db2.gz WMOKHYOQDWALBP-ZDUSSCGKSA-N 1 0 340.811 2.164 20 5 EEBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385517393 467385950 /nfs/dbraw/zinc/38/59/50/467385950.db2.gz SFQDNOVKFHQQEK-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000430211759 467409245 /nfs/dbraw/zinc/40/92/45/467409245.db2.gz YRYGJHQKWMOFQD-HNNXBMFYSA-N 1 0 347.415 2.342 20 5 EEBDRO Cc1cc(N2CCC[N@H+](CC(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000392667742 467428374 /nfs/dbraw/zinc/42/83/74/467428374.db2.gz YRAMQAQKSPLNSK-UHFFFAOYSA-N 1 0 344.371 2.048 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000420595051 467431576 /nfs/dbraw/zinc/43/15/76/467431576.db2.gz FDOSYHUXRDPXJW-ZDUSSCGKSA-N 1 0 332.404 2.370 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430574997 467444004 /nfs/dbraw/zinc/44/40/04/467444004.db2.gz UIOYGDCLKOZNDD-DGCLKSJQSA-N 1 0 331.376 2.204 20 5 EEBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627716 467483461 /nfs/dbraw/zinc/48/34/61/467483461.db2.gz OGEWACVNDFAQRZ-CQSZACIVSA-N 1 0 334.420 2.306 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448749927 467600008 /nfs/dbraw/zinc/60/00/08/467600008.db2.gz OZAOETMSIPHIPS-OAHLLOKOSA-N 1 0 333.388 2.014 20 5 EEBDRO CNc1nc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454757934 467614207 /nfs/dbraw/zinc/61/42/07/467614207.db2.gz LRRLMQSLLMKGOR-CYBMUJFWSA-N 1 0 349.435 2.273 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000449715759 467697939 /nfs/dbraw/zinc/69/79/39/467697939.db2.gz FJAFQUONUHYYCH-JTQLQIEISA-N 1 0 337.323 2.326 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457057084 467742275 /nfs/dbraw/zinc/74/22/75/467742275.db2.gz UNHYKLYNYNXEFF-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO COC(=O)Cc1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000450257202 467810771 /nfs/dbraw/zinc/81/07/71/467810771.db2.gz KGJQMANDGZPMQB-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)CN1C ZINC000450542493 467867199 /nfs/dbraw/zinc/86/71/99/467867199.db2.gz UMJXZZJAHJTTOA-NEPJUHHUSA-N 1 0 343.387 2.150 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CO2 ZINC000515348234 467986974 /nfs/dbraw/zinc/98/69/74/467986974.db2.gz XISSKCPZTDSCPP-DZGCQCFKSA-N 1 0 344.367 2.366 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494230436 468038958 /nfs/dbraw/zinc/03/89/58/468038958.db2.gz KFSFMXGLIHTSGP-MMPTUQATSA-N 1 0 337.376 2.088 20 5 EEBDRO Cc1[nH+]c2c(n1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000519064765 468138718 /nfs/dbraw/zinc/13/87/18/468138718.db2.gz QBJVIBVFOHCDQR-CQSZACIVSA-N 1 0 331.372 2.418 20 5 EEBDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000578740622 468247429 /nfs/dbraw/zinc/24/74/29/468247429.db2.gz PLDYYLXRBCXULX-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000590538786 468268811 /nfs/dbraw/zinc/26/88/11/468268811.db2.gz DQBIKCUXZOWXKX-UHFFFAOYSA-N 1 0 333.388 2.375 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000591727650 468510883 /nfs/dbraw/zinc/51/08/83/468510883.db2.gz NFKJKNTZEAZZQB-INIZCTEOSA-N 1 0 346.383 2.441 20 5 EEBDRO CN(C)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591728915 468511620 /nfs/dbraw/zinc/51/16/20/468511620.db2.gz YRMSXZBWSVRFDR-INIZCTEOSA-N 1 0 345.399 2.190 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000597442858 468557034 /nfs/dbraw/zinc/55/70/34/468557034.db2.gz YYFJPVOXGXRMNB-WFASDCNBSA-N 1 0 332.404 2.406 20 5 EEBDRO CNc1nccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1[N+](=O)[O-] ZINC000569939182 468567581 /nfs/dbraw/zinc/56/75/81/468567581.db2.gz LDTVTSYYGQBLLN-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597572294 468603784 /nfs/dbraw/zinc/60/37/84/468603784.db2.gz OLACKRGKMDAIQS-UHFFFAOYSA-N 1 0 335.429 2.485 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000597679584 468635943 /nfs/dbraw/zinc/63/59/43/468635943.db2.gz QFXNUPUGXJKJLR-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO [NH3+][C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000600885399 468675398 /nfs/dbraw/zinc/67/53/98/468675398.db2.gz SQCLONRYVJFULX-HAQNSBGRSA-N 1 0 338.383 2.252 20 5 EEBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000600951247 468694132 /nfs/dbraw/zinc/69/41/32/468694132.db2.gz CVARBQROKVJBNI-UHFFFAOYSA-N 1 0 330.182 2.277 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597860255 468696295 /nfs/dbraw/zinc/69/62/95/468696295.db2.gz MSCGUHPUHIQOMT-GFCCVEGCSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000592446729 468699999 /nfs/dbraw/zinc/69/99/99/468699999.db2.gz RSDIHMVHNWSSTI-HNNXBMFYSA-N 1 0 346.383 2.475 20 5 EEBDRO C[C@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000597993324 468733884 /nfs/dbraw/zinc/73/38/84/468733884.db2.gz RIFXNBDTKGZFLE-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000594975487 468735948 /nfs/dbraw/zinc/73/59/48/468735948.db2.gz VXIIOZOXHMYMDP-UHFFFAOYSA-N 1 0 332.447 2.493 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595258479 468795652 /nfs/dbraw/zinc/79/56/52/468795652.db2.gz NPQAFJBMRYXQBN-HUUCEWRRSA-N 1 0 348.447 2.397 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598558749 468912524 /nfs/dbraw/zinc/91/25/24/468912524.db2.gz CXTZJGNZSIMEAU-CYBMUJFWSA-N 1 0 349.435 2.293 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595588173 468913518 /nfs/dbraw/zinc/91/35/18/468913518.db2.gz MIYFCAOIHRBHGD-MRXNPFEDSA-N 1 0 338.379 2.391 20 5 EEBDRO CC1(C)CC[C@@H](CO)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000598650459 468946500 /nfs/dbraw/zinc/94/65/00/468946500.db2.gz YHTREVHCKXFHNN-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000598668232 468952071 /nfs/dbraw/zinc/95/20/71/468952071.db2.gz QVPWWUVCRVVDOD-PIGZYNQJSA-N 1 0 326.356 2.096 20 5 EEBDRO O=C(CC[NH2+]CCOCC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572782160 468993272 /nfs/dbraw/zinc/99/32/72/468993272.db2.gz MIBNUXYHIYCMRZ-UHFFFAOYSA-N 1 0 335.282 2.092 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)C3CCSCC3)nc2c1 ZINC000602680195 469007408 /nfs/dbraw/zinc/00/74/08/469007408.db2.gz JXIFRDJUSFAMJT-UHFFFAOYSA-N 1 0 337.401 2.426 20 5 EEBDRO COc1cccnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602680757 469008153 /nfs/dbraw/zinc/00/81/53/469008153.db2.gz GSFOHKDPPGKUSE-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO CC(C)(O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602681010 469008527 /nfs/dbraw/zinc/00/85/27/469008527.db2.gz HMAZEEFRFOWPLB-UHFFFAOYSA-N 1 0 336.436 2.345 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784848 469009212 /nfs/dbraw/zinc/00/92/12/469009212.db2.gz BXXRTSBYHSTRGP-HOCLYGCPSA-N 1 0 335.404 2.038 20 5 EEBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602697261 469019015 /nfs/dbraw/zinc/01/90/15/469019015.db2.gz NNGSHILHJMXICS-HIFRSBDPSA-N 1 0 336.436 2.345 20 5 EEBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c1 ZINC000601851622 469058086 /nfs/dbraw/zinc/05/80/86/469058086.db2.gz ULZVHGCMGFEHSX-CQSZACIVSA-N 1 0 328.372 2.236 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000602787753 469074372 /nfs/dbraw/zinc/07/43/72/469074372.db2.gz KPJZEXIBMCZFEU-FMKPAKJESA-N 1 0 335.452 2.437 20 5 EEBDRO CC[C@@H](CO)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602805273 469087730 /nfs/dbraw/zinc/08/77/30/469087730.db2.gz NUMCKXDNUHPRDB-INIZCTEOSA-N 1 0 332.404 2.373 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc2c1CC[NH2+]C2 ZINC000595935521 469090485 /nfs/dbraw/zinc/09/04/85/469090485.db2.gz FCORTGCKJGMNRB-UHFFFAOYSA-N 1 0 341.367 2.049 20 5 EEBDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969436 469118317 /nfs/dbraw/zinc/11/83/17/469118317.db2.gz RBSHZDXGMRQFBT-GXFFZTMASA-N 1 0 337.401 2.450 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000602911518 469159456 /nfs/dbraw/zinc/15/94/56/469159456.db2.gz DRPRLCJTCNVKCP-ZDUSSCGKSA-N 1 0 329.404 2.440 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602043208 469159475 /nfs/dbraw/zinc/15/94/75/469159475.db2.gz BNKASUBOXFWNEY-INIZCTEOSA-N 1 0 332.404 2.140 20 5 EEBDRO O=c1[nH]ccc(NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000596133897 469170851 /nfs/dbraw/zinc/17/08/51/469170851.db2.gz GQGRKTBKEOUKAX-UHFFFAOYSA-N 1 0 336.392 2.142 20 5 EEBDRO C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573795819 469207145 /nfs/dbraw/zinc/20/71/45/469207145.db2.gz XUJYZDIHQWGTFY-STQMWFEESA-N 1 0 332.404 2.138 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596471479 469277799 /nfs/dbraw/zinc/27/77/99/469277799.db2.gz UJOUZLTXLIOQHN-HNNXBMFYSA-N 1 0 342.399 2.312 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000603216032 469312825 /nfs/dbraw/zinc/31/28/25/469312825.db2.gz QXWNYNHIGJDGMC-UHFFFAOYSA-N 1 0 345.403 2.489 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596638006 469317917 /nfs/dbraw/zinc/31/79/17/469317917.db2.gz RCPPUIKWTZHFFR-OAHLLOKOSA-N 1 0 348.403 2.278 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444462 469468295 /nfs/dbraw/zinc/46/82/95/469468295.db2.gz YLNGJLDYPQMWJJ-GFCCVEGCSA-N 1 0 331.376 2.061 20 5 EEBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619717209 469669093 /nfs/dbraw/zinc/66/90/93/469669093.db2.gz JYFUCEZVNHMLON-CYBMUJFWSA-N 1 0 349.387 2.341 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609449623 469928489 /nfs/dbraw/zinc/92/84/89/469928489.db2.gz CDZPFPBKFCSDDS-RHSMWYFYSA-N 1 0 346.431 2.163 20 5 EEBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000609766683 469960189 /nfs/dbraw/zinc/96/01/89/469960189.db2.gz CZPOKOVMVSXQNN-UHFFFAOYSA-N 1 0 349.387 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000610271508 469997974 /nfs/dbraw/zinc/99/79/74/469997974.db2.gz UWGQEHIDQVRUFV-HNNXBMFYSA-N 1 0 329.404 2.446 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000600825355 485629960 /nfs/dbraw/zinc/62/99/60/485629960.db2.gz SMSYKESBVGZXDC-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO [NH3+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414941427 534595480 /nfs/dbraw/zinc/59/54/80/534595480.db2.gz CKJJZEBURMLIIJ-UHFFFAOYSA-N 1 0 344.318 2.399 20 5 EEBDRO CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178897780 527787669 /nfs/dbraw/zinc/78/76/69/527787669.db2.gz KRWOAIZOTDZGQI-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000173881066 527817872 /nfs/dbraw/zinc/81/78/72/527817872.db2.gz WEWSGIQKTFFGDH-AWEZNQCLSA-N 1 0 334.420 2.115 20 5 EEBDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685600 528683853 /nfs/dbraw/zinc/68/38/53/528683853.db2.gz PDIBAMULJRWSGG-ZIAGYGMSSA-N 1 0 337.420 2.485 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000776579945 577463016 /nfs/dbraw/zinc/46/30/16/577463016.db2.gz PVAKICYVZGIZIO-OAHLLOKOSA-N 1 0 348.428 2.297 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000776778635 577468031 /nfs/dbraw/zinc/46/80/31/577468031.db2.gz SXTKRYLYVAXMIX-AWEZNQCLSA-N 1 0 347.371 2.351 20 5 EEBDRO C[C@@H](CN1CCCC1=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765288105 577498646 /nfs/dbraw/zinc/49/86/46/577498646.db2.gz YWCHGJJLWDFBJH-AWEZNQCLSA-N 1 0 346.431 2.164 20 5 EEBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761534867 577685556 /nfs/dbraw/zinc/68/55/56/577685556.db2.gz SLBYMNBTSAYPDV-AWEZNQCLSA-N 1 0 330.768 2.306 20 5 EEBDRO C[C@@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C ZINC000751928698 577762464 /nfs/dbraw/zinc/76/24/64/577762464.db2.gz NWECZUIQDAERQZ-CHWSQXEVSA-N 1 0 328.372 2.364 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000749691607 577980077 /nfs/dbraw/zinc/98/00/77/577980077.db2.gz QDWZIRSZWRHEMI-HNNXBMFYSA-N 1 0 347.327 2.335 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074396 577986682 /nfs/dbraw/zinc/98/66/82/577986682.db2.gz YFTNBGPJXKHZFK-MAUKXSAKSA-N 1 0 333.432 2.292 20 5 EEBDRO COc1c(C)cnc(COC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C ZINC000736795096 578224063 /nfs/dbraw/zinc/22/40/63/578224063.db2.gz FPXYEPPLPIGLHQ-UHFFFAOYSA-N 1 0 334.332 2.014 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821581851 606474610 /nfs/dbraw/zinc/47/46/10/606474610.db2.gz WFHDHMJNLGTKBL-GHMZBOCLSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824626492 608469237 /nfs/dbraw/zinc/46/92/37/608469237.db2.gz PFSCNZLPWMNJPN-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000891586643 676706903 /nfs/dbraw/zinc/70/69/03/676706903.db2.gz KMKNPGWDBHOKEV-INIZCTEOSA-N 1 0 334.420 2.311 20 5 EEBDRO Cc1ccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000892536729 681622535 /nfs/dbraw/zinc/62/25/35/681622535.db2.gz JVSXFWNLPPSNBE-CALCHBBNSA-N 1 0 332.404 2.044 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H](C)COCC(F)(F)F)c1[N+](=O)[O-] ZINC000892684502 682548943 /nfs/dbraw/zinc/54/89/43/682548943.db2.gz UAGNDWWPCLZVTK-QMMMGPOBSA-N 1 0 338.282 2.366 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000894395293 682801942 /nfs/dbraw/zinc/80/19/42/682801942.db2.gz CNVRHWBNYQHTJI-HZPDHXFCSA-N 1 0 332.404 2.281 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001019931428 683494512 /nfs/dbraw/zinc/49/45/12/683494512.db2.gz RGUHLWNWDDXYRG-HDJSIYSDSA-N 1 0 326.356 2.040 20 5 EEBDRO O=C(Cc1cncs1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020264650 683579564 /nfs/dbraw/zinc/57/95/64/683579564.db2.gz ZCTHUHIYNTUHLC-JOCQHMNTSA-N 1 0 346.412 2.031 20 5 EEBDRO Cc1cocc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025947779 683680042 /nfs/dbraw/zinc/68/00/42/683680042.db2.gz SEPONNVBECBYLH-QLPKVWCKSA-N 1 0 341.367 2.356 20 5 EEBDRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000893221558 684172030 /nfs/dbraw/zinc/17/20/30/684172030.db2.gz MTYHUPWAWQZMCO-MCIONIFRSA-N 1 0 334.420 2.480 20 5 EEBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC000179123435 690587821 /nfs/dbraw/zinc/58/78/21/690587821.db2.gz HVSSRBRKMPUODB-GFCCVEGCSA-N 1 0 332.385 2.152 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162665 1186670362 /nfs/dbraw/zinc/67/03/62/1186670362.db2.gz ZYHKCYBARNNMMP-SECBINFHSA-N 1 0 343.181 2.231 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001105438007 1187119441 /nfs/dbraw/zinc/11/94/41/1187119441.db2.gz CSPIFDNVPMZGOS-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001034643913 1196464927 /nfs/dbraw/zinc/46/49/27/1196464927.db2.gz AAAPJSYUBPZCGV-BRSBDYLESA-N 1 0 345.443 2.486 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000794753680 1197920216 /nfs/dbraw/zinc/92/02/16/1197920216.db2.gz WXSUYIQDXJQAGD-IBGZPJMESA-N 1 0 341.411 2.444 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000872028011 1198029995 /nfs/dbraw/zinc/02/99/95/1198029995.db2.gz OYCGJMMMXVMNFT-OCCSQVGLSA-N 1 0 339.461 2.424 20 5 EEBDRO Cc1c(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079892 1198494362 /nfs/dbraw/zinc/49/43/62/1198494362.db2.gz JINMNPCULHVJLC-ZWKOTPCHSA-N 1 0 333.432 2.371 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873098075 1198499171 /nfs/dbraw/zinc/49/91/71/1198499171.db2.gz JQNPPRBAEJBHOA-HNNXBMFYSA-N 1 0 337.420 2.170 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000873104989 1198501417 /nfs/dbraw/zinc/50/14/17/1198501417.db2.gz UHFQIARIKZQZLM-CYBMUJFWSA-N 1 0 326.418 2.269 20 5 EEBDRO O=C(Cc1ccncc1Cl)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133853876 1199110506 /nfs/dbraw/zinc/11/05/06/1199110506.db2.gz RTPVRNQYKZMSJU-UHFFFAOYSA-N 1 0 348.790 2.092 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000125476863 1199291363 /nfs/dbraw/zinc/29/13/63/1199291363.db2.gz HROMPEZLPHOGSK-UHFFFAOYSA-N 1 0 347.824 2.105 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000877072548 1199858454 /nfs/dbraw/zinc/85/84/54/1199858454.db2.gz OJFOAYCRYFRSAO-CYBMUJFWSA-N 1 0 344.293 2.170 20 5 EEBDRO Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000877347358 1199910336 /nfs/dbraw/zinc/91/03/36/1199910336.db2.gz VBFBYZZYMJUUEH-MRXNPFEDSA-N 1 0 325.368 2.348 20 5 EEBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001132728299 1199959355 /nfs/dbraw/zinc/95/93/55/1199959355.db2.gz PXKWJENQVILWNK-UHFFFAOYSA-N 1 0 330.388 2.244 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CCC1 ZINC001132801986 1200038343 /nfs/dbraw/zinc/03/83/43/1200038343.db2.gz PJRBMJXLJASNRI-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866182251 1201457878 /nfs/dbraw/zinc/45/78/78/1201457878.db2.gz OIASBFDWWZLKAK-ZDUSSCGKSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCOCC1 ZINC000866340859 1201496164 /nfs/dbraw/zinc/49/61/64/1201496164.db2.gz UEHXYJVCHDRIGN-WBMJQRKESA-N 1 0 340.395 2.432 20 5 EEBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000886424094 1202506753 /nfs/dbraw/zinc/50/67/53/1202506753.db2.gz ZIEPILXKIHOUHE-IRXDYDNUSA-N 1 0 332.404 2.009 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095421791 1205725006 /nfs/dbraw/zinc/72/50/06/1205725006.db2.gz SPTGOJMKCCMTPF-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CN(CCCNC(=O)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095571233 1205877924 /nfs/dbraw/zinc/87/79/24/1205877924.db2.gz BMRXUJLKPIXTSN-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932704574 1207660885 /nfs/dbraw/zinc/66/08/85/1207660885.db2.gz LIVNTSLRUJVODT-SJORKVTESA-N 1 0 331.416 2.499 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933242379 1207747122 /nfs/dbraw/zinc/74/71/22/1207747122.db2.gz WDTWNTPPORGUBZ-CYBMUJFWSA-N 1 0 344.293 2.133 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933433524 1207770537 /nfs/dbraw/zinc/77/05/37/1207770537.db2.gz FCHKAEKWZNTPOE-VZEFYGNVSA-N 1 0 331.416 2.497 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934231951 1207927904 /nfs/dbraw/zinc/92/79/04/1207927904.db2.gz BBBQXTABKZMFKU-ZDUSSCGKSA-N 1 0 328.372 2.458 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000078231734 1210118116 /nfs/dbraw/zinc/11/81/16/1210118116.db2.gz CFFCAGFLMFPEAR-NSHDSACASA-N 1 0 336.348 2.026 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)cn1 ZINC000795851630 1215123852 /nfs/dbraw/zinc/12/38/52/1215123852.db2.gz GCPDGXWGAPLFJK-QGZVFWFLSA-N 1 0 342.399 2.236 20 5 EEBDRO CCN(CCCNC(=O)C[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095891315 1215161026 /nfs/dbraw/zinc/16/10/26/1215161026.db2.gz XNTWAZMEQINJOQ-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001114779611 1215272131 /nfs/dbraw/zinc/27/21/31/1215272131.db2.gz QCBCXWWPQDLALL-HDJSIYSDSA-N 1 0 349.435 2.028 20 5 EEBDRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000796112279 1215307124 /nfs/dbraw/zinc/30/71/24/1215307124.db2.gz IXWRQQRTXHZVFV-CQSZACIVSA-N 1 0 334.372 2.305 20 5 EEBDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001017543783 1227505647 /nfs/dbraw/zinc/50/56/47/1227505647.db2.gz DYMMDBCSSNBIBP-XMTFNYHQSA-N 1 0 343.427 2.144 20 5 EEBDRO Cc1noc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC001020273703 1229595846 /nfs/dbraw/zinc/59/58/46/1229595846.db2.gz CQFLFRRJGUCWGS-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001039583582 1230703195 /nfs/dbraw/zinc/70/31/95/1230703195.db2.gz RSCFQOLEFLMDRD-YYIAUSFCSA-N 1 0 335.448 2.297 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000802142394 1236991111 /nfs/dbraw/zinc/99/11/11/1236991111.db2.gz VXESYXGBIQHBCN-WHWKNOJMSA-N 1 0 334.372 2.260 20 5 EEBDRO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903529539 1240814669 /nfs/dbraw/zinc/81/46/69/1240814669.db2.gz IZUMNWDZSFAKNG-HNNXBMFYSA-N 1 0 334.420 2.306 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001097037295 1243603820 /nfs/dbraw/zinc/60/38/20/1243603820.db2.gz LJAACCJNLOIWPG-HDJSIYSDSA-N 1 0 334.420 2.303 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097054455 1243632919 /nfs/dbraw/zinc/63/29/19/1243632919.db2.gz XFONENQDPAQYCV-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097057196 1243669014 /nfs/dbraw/zinc/66/90/14/1243669014.db2.gz RKKCQRQSTWUESD-JOCQHMNTSA-N 1 0 338.383 2.135 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001097078072 1243673607 /nfs/dbraw/zinc/67/36/07/1243673607.db2.gz IAQJFFKHFQGUTP-JOCQHMNTSA-N 1 0 349.435 2.088 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC001101350266 1245698863 /nfs/dbraw/zinc/69/88/63/1245698863.db2.gz FBPULCRBWBKFEC-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO C[NH+](C)CCC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110609986 1290976309 /nfs/dbraw/zinc/97/63/09/1290976309.db2.gz HWIZRKYQAUEPJN-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c[nH]1 ZINC000859877937 1294682145 /nfs/dbraw/zinc/68/21/45/1294682145.db2.gz CVHPUDDROXKGHJ-CJNGLKHVSA-N 1 0 333.319 2.454 20 5 EEBDRO O=C(CC1CC1)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072382188 1295587963 /nfs/dbraw/zinc/58/79/63/1295587963.db2.gz FGOMYICBLOCFLA-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC001072725472 1296059053 /nfs/dbraw/zinc/05/90/53/1296059053.db2.gz NDFCAQBTTXEIJH-HUUCEWRRSA-N 1 0 349.818 2.040 20 5 EEBDRO O=C(c1cc[nH]c1)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072766171 1296122112 /nfs/dbraw/zinc/12/21/12/1296122112.db2.gz MFMVVKLQZJLJRT-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO COCCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000863269346 1296186858 /nfs/dbraw/zinc/18/68/58/1296186858.db2.gz DZBIKFHKNLHMRR-UHFFFAOYSA-N 1 0 333.392 2.354 20 5 EEBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001218024434 1297550855 /nfs/dbraw/zinc/55/08/55/1297550855.db2.gz OBNVXOOIONRKHY-APPZFPTMSA-N 1 0 335.282 2.481 20 5 EEBDRO COc1c(O)ccc2c(=O)c3c(O[C@H]4CC[NH2+]C4)cc(O)cc3oc21 ZINC001218180682 1297592247 /nfs/dbraw/zinc/59/22/47/1297592247.db2.gz APWDEVGGXBYWJZ-JTQLQIEISA-N 1 0 343.335 2.107 20 5 EEBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001101643590 1299715996 /nfs/dbraw/zinc/71/59/96/1299715996.db2.gz PPRJULBEHAEZBN-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001102467369 1301113507 /nfs/dbraw/zinc/11/35/07/1301113507.db2.gz GVUPHRUMAUYVPM-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3F)C[C@H]1[N@@H+]2C ZINC001225941936 1301208785 /nfs/dbraw/zinc/20/87/85/1301208785.db2.gz LDBAOSHKTNTMCQ-CAVOSLQRSA-N 1 0 338.335 2.280 20 5 EEBDRO COC(=O)c1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226439978 1301413947 /nfs/dbraw/zinc/41/39/47/1301413947.db2.gz RLHYRVXJARXQKH-LLVKDONJSA-N 1 0 338.360 2.252 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001226629400 1301484825 /nfs/dbraw/zinc/48/48/25/1301484825.db2.gz UVGHXMTYKBTIMW-LBPRGKRZSA-N 1 0 339.460 2.176 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c4cccnc34)[C@H]1CC(=O)C2 ZINC001228136638 1302120457 /nfs/dbraw/zinc/12/04/57/1302120457.db2.gz WZYRZBVAVNJGNR-JJMVLAAESA-N 1 0 327.340 2.326 20 5 EEBDRO O=c1[nH]nc(OC2CC[NH+](CCF)CC2)c2cc([N+](=O)[O-])ccc12 ZINC001229359159 1302745071 /nfs/dbraw/zinc/74/50/71/1302745071.db2.gz CCAHYMDZLGPPTK-UHFFFAOYSA-N 1 0 336.323 2.056 20 5 EEBDRO O=[N+]([O-])c1c[n+]([O-])ccc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001229456959 1302791242 /nfs/dbraw/zinc/79/12/42/1302791242.db2.gz ZZUDNWOPTKBOQN-UHFFFAOYSA-N 1 0 343.383 2.314 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103441578 1302967036 /nfs/dbraw/zinc/96/70/36/1302967036.db2.gz YINDTKLYMLJUHT-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001115153548 1304746344 /nfs/dbraw/zinc/74/63/44/1304746344.db2.gz LCIUAYMOFBZECF-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC001119942496 1309253966 /nfs/dbraw/zinc/25/39/66/1309253966.db2.gz CTWBPEPUPFXWRK-UHFFFAOYSA-N 1 0 349.391 2.068 20 5 EEBDRO O[C@H]1C[NH2+][C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247502847 1310620744 /nfs/dbraw/zinc/62/07/44/1310620744.db2.gz IBQVJUKAVMMGLL-OCCSQVGLSA-N 1 0 333.351 2.228 20 5 EEBDRO [NH3+][C@@H]1CN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248416110 1310901895 /nfs/dbraw/zinc/90/18/95/1310901895.db2.gz HPMUPPBJESHQBR-JSGCOSHPSA-N 1 0 332.367 2.195 20 5 EEBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839775235 1315242301 /nfs/dbraw/zinc/24/23/01/1315242301.db2.gz UAIKMMAUKZCTHB-BRWVUGGUSA-N 1 0 331.416 2.070 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161560 1315493059 /nfs/dbraw/zinc/49/30/59/1315493059.db2.gz NEWFLRAZIBLRGJ-ZETCQYMHSA-N 1 0 331.170 2.168 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857438 1315625202 /nfs/dbraw/zinc/62/52/02/1315625202.db2.gz YVAYTINPPAIWBT-JTQLQIEISA-N 1 0 326.784 2.047 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000842873644 1315788667 /nfs/dbraw/zinc/78/86/67/1315788667.db2.gz LGKNUURRVVBSEW-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000843090748 1315839408 /nfs/dbraw/zinc/83/94/08/1315839408.db2.gz WHQHRTHMQUDAQM-HUUCEWRRSA-N 1 0 338.310 2.230 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000843090743 1315839576 /nfs/dbraw/zinc/83/95/76/1315839576.db2.gz WHQHRTHMQUDAQM-CABCVRRESA-N 1 0 338.310 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000843094765 1315840474 /nfs/dbraw/zinc/84/04/74/1315840474.db2.gz LRHGMJHMDWUJIV-WMLDXEAASA-N 1 0 334.347 2.133 20 5 EEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000843154153 1315856877 /nfs/dbraw/zinc/85/68/77/1315856877.db2.gz NQMDEWUOSXMBSJ-CYBMUJFWSA-N 1 0 347.375 2.137 20 5 EEBDRO CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843355357 1315898448 /nfs/dbraw/zinc/89/84/48/1315898448.db2.gz YGOAKXRQWMVYDF-AWEZNQCLSA-N 1 0 340.399 2.368 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843384940 1315904443 /nfs/dbraw/zinc/90/44/43/1315904443.db2.gz KDLVTQRIEDVACO-GFCCVEGCSA-N 1 0 340.811 2.390 20 5 EEBDRO O=C(Cc1ccsc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154304902 1317057871 /nfs/dbraw/zinc/05/78/71/1317057871.db2.gz WOHDLOPGNLCZIH-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1-n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001154848018 1317349566 /nfs/dbraw/zinc/34/95/66/1317349566.db2.gz QMCSHFYOTMIRHH-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001155225512 1317509927 /nfs/dbraw/zinc/50/99/27/1317509927.db2.gz STWQDGYYKJQRNM-LLVKDONJSA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc21 ZINC001155596360 1317666493 /nfs/dbraw/zinc/66/64/93/1317666493.db2.gz HZSFQMLNRQRJCJ-BZNIZROVSA-N 1 0 331.376 2.042 20 5 EEBDRO [NH3+]CCN(c1ccccn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468016 1318081553 /nfs/dbraw/zinc/08/15/53/1318081553.db2.gz HETRCWAQCKLHCX-UHFFFAOYSA-N 1 0 341.415 2.424 20 5 EEBDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483731 1318084544 /nfs/dbraw/zinc/08/45/44/1318084544.db2.gz XDUKVGBFIHTBLM-ROUUACIJSA-N 1 0 330.432 2.342 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001254533158 1318111524 /nfs/dbraw/zinc/11/15/24/1318111524.db2.gz WNJVHJKLHPUOLZ-CJNGLKHVSA-N 1 0 341.411 2.372 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(C(N)=O)cc1 ZINC001254545796 1318116959 /nfs/dbraw/zinc/11/69/59/1318116959.db2.gz CSKAZVDCBSCSFJ-ZDUSSCGKSA-N 1 0 343.383 2.293 20 5 EEBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C)C1=O ZINC001254597440 1318139123 /nfs/dbraw/zinc/13/91/23/1318139123.db2.gz SJGQPEBRBMRPKF-IRWQIABSSA-N 1 0 343.427 2.252 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001256081578 1318640967 /nfs/dbraw/zinc/64/09/67/1318640967.db2.gz AFSHEDFXUKIGAS-HNNXBMFYSA-N 1 0 335.404 2.341 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256099120 1318647907 /nfs/dbraw/zinc/64/79/07/1318647907.db2.gz JEXQANGXGKDYJD-OAHLLOKOSA-N 1 0 335.404 2.293 20 5 EEBDRO Cc1ccc(-c2ccc(Nc3nccnc3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001160245618 1320110449 /nfs/dbraw/zinc/11/04/49/1320110449.db2.gz GFKMLBQSWMFFLC-UHFFFAOYSA-N 1 0 337.343 2.353 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001162465018 1320864810 /nfs/dbraw/zinc/86/48/10/1320864810.db2.gz BEOUKFIESGCCLO-GXTWGEPZSA-N 1 0 335.404 2.358 20 5 EEBDRO COc1cc(C)nc(N2Cc3ccccc3C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001162740665 1320946246 /nfs/dbraw/zinc/94/62/46/1320946246.db2.gz LNBABZIVWYFKBS-AWEZNQCLSA-N 1 0 328.372 2.197 20 5 EEBDRO COc1nc(C)nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163209516 1321068122 /nfs/dbraw/zinc/06/81/22/1321068122.db2.gz LGMYYEXIAVRGNG-OLZOCXBDSA-N 1 0 329.360 2.217 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC001163371143 1321107881 /nfs/dbraw/zinc/10/78/81/1321107881.db2.gz NNFXZJQFXGLDAC-NWDGAFQWSA-N 1 0 336.392 2.307 20 5 EEBDRO O=[N+]([O-])c1ccnc(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163879439 1321238323 /nfs/dbraw/zinc/23/83/23/1321238323.db2.gz IFEHXECKLBYIIW-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO COc1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164607604 1321433287 /nfs/dbraw/zinc/43/32/87/1321433287.db2.gz GMXACDRJTABFLY-AWEZNQCLSA-N 1 0 328.372 2.019 20 5 EEBDRO COc1cc(C)nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001164608718 1321433655 /nfs/dbraw/zinc/43/36/55/1321433655.db2.gz VRWQESGZMYIDCX-OAHLLOKOSA-N 1 0 342.399 2.328 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246608 1321482694 /nfs/dbraw/zinc/48/26/94/1321482694.db2.gz JIKNPQXOZCDMEV-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2CF)CC1 ZINC001165428505 1321524184 /nfs/dbraw/zinc/52/41/84/1321524184.db2.gz DITLSEZIADSQOQ-JQWIXIFHSA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1nc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)ccc1[N+](=O)[O-] ZINC001167019128 1321840314 /nfs/dbraw/zinc/84/03/14/1321840314.db2.gz KDCRBWIUWPMUCG-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001263134521 1322437008 /nfs/dbraw/zinc/43/70/08/1322437008.db2.gz WFLHDVAMKUAYEX-LLVKDONJSA-N 1 0 329.809 2.073 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318890085 1332618792 /nfs/dbraw/zinc/61/87/92/1332618792.db2.gz PSHMFPISUXFBAZ-MRXNPFEDSA-N 1 0 332.404 2.494 20 5 EEBDRO CCCN1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001322034646 1333199855 /nfs/dbraw/zinc/19/98/55/1333199855.db2.gz QQHBEJASBJJPMF-HNNXBMFYSA-N 1 0 349.387 2.341 20 5 EEBDRO CC(C)[NH+](CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(C)C ZINC001609098488 1351842639 /nfs/dbraw/zinc/84/26/39/1351842639.db2.gz POBSZAHULVIZLR-UHFFFAOYSA-N 1 0 333.396 2.306 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCCN(C(=O)OC)CC1 ZINC001324732299 1333748265 /nfs/dbraw/zinc/74/82/65/1333748265.db2.gz JNNHQZVDTSRQQR-UHFFFAOYSA-N 1 0 337.376 2.268 20 5 EEBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])CC2 ZINC001328403034 1334454803 /nfs/dbraw/zinc/45/48/03/1334454803.db2.gz SFDZOWNBAGEHST-UHFFFAOYSA-N 1 0 335.408 2.045 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329234045 1334612213 /nfs/dbraw/zinc/61/22/13/1334612213.db2.gz JWHIIYDTKCCYRG-INIZCTEOSA-N 1 0 332.404 2.494 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001336410946 1336539028 /nfs/dbraw/zinc/53/90/28/1336539028.db2.gz UQESRQDVNPPVDT-UHFFFAOYSA-N 1 0 332.448 2.367 20 5 EEBDRO C[N@@H+]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1(C)C ZINC001337168710 1336656282 /nfs/dbraw/zinc/65/62/82/1336656282.db2.gz CGZCIENELCQYKD-UHFFFAOYSA-N 1 0 329.404 2.442 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001340382757 1337172696 /nfs/dbraw/zinc/17/26/96/1337172696.db2.gz RHROMPPVMTZGKV-LLVKDONJSA-N 1 0 335.385 2.166 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC001575799759 1343888609 /nfs/dbraw/zinc/88/86/09/1343888609.db2.gz YUKFJAIDNBJYKW-KBPBESRZSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576017418 1343946501 /nfs/dbraw/zinc/94/65/01/1343946501.db2.gz SRXWKHUILOJYBH-KGLIPLIRSA-N 1 0 334.420 2.469 20 5 EEBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)C[C@H]1[NH3+] ZINC001576819659 1344065684 /nfs/dbraw/zinc/06/56/84/1344065684.db2.gz PXWGZKQKNRLNRQ-IAQYHMDHSA-N 1 0 342.403 2.047 20 5 EEBDRO CC[C@H]([NH2+]C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001577172133 1344098670 /nfs/dbraw/zinc/09/86/70/1344098670.db2.gz LUHFFOZOINBBEN-GZMMTYOYSA-N 1 0 337.273 2.452 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001580570297 1344539277 /nfs/dbraw/zinc/53/92/77/1344539277.db2.gz XINBMNCHTCXPJU-ZFWWWQNUSA-N 1 0 335.379 2.267 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589128484 1348963398 /nfs/dbraw/zinc/96/33/98/1348963398.db2.gz CKRIZHISSJTEFV-UHFFFAOYSA-N 1 0 348.407 2.005 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+][C@H]1CC2CCC1CC2 ZINC001593481754 1349813036 /nfs/dbraw/zinc/81/30/36/1349813036.db2.gz KDMQIJUMBHQZKZ-MGULZYLOSA-N 1 0 328.376 2.443 20 5 EEBDRO CC[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001604063340 1350843985 /nfs/dbraw/zinc/84/39/85/1350843985.db2.gz YDYQGLQHBFCQPN-UKRRQHHQSA-N 1 0 346.391 2.212 20 5 EEBDRO CC[NH+](CC)CC[C@@H](C)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604284665 1350909077 /nfs/dbraw/zinc/90/90/77/1350909077.db2.gz FMHPUSLDFKDFSL-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO C[NH+](C)C1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604681497 1350983651 /nfs/dbraw/zinc/98/36/51/1350983651.db2.gz ZZNLOWFWPOVZTL-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001170780204 1367855015 /nfs/dbraw/zinc/85/50/15/1367855015.db2.gz SPDDJLJWBQKAAG-BXUZGUMPSA-N 1 0 328.803 2.429 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564281 1368036828 /nfs/dbraw/zinc/03/68/28/1368036828.db2.gz DUTMFPJRVHDJGQ-RISCZKNCSA-N 1 0 349.362 2.407 20 5 EEBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CCC1 ZINC001111842768 1371268383 /nfs/dbraw/zinc/26/83/83/1371268383.db2.gz WASJNWANUSYQAX-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001116399027 1371725206 /nfs/dbraw/zinc/72/52/06/1371725206.db2.gz SFAFZOSPJKJLDH-OAHLLOKOSA-N 1 0 329.404 2.381 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001121720008 1371919068 /nfs/dbraw/zinc/91/90/68/1371919068.db2.gz LECVGLQLQHLCLC-VXGBXAGGSA-N 1 0 347.423 2.120 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H](CO)C[NH+]3CCCCC3)sc2c1 ZINC000828167011 1372239131 /nfs/dbraw/zinc/23/91/31/1372239131.db2.gz PACULEKHZYLQAO-NSHDSACASA-N 1 0 336.417 2.463 20 5 EEBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000831533875 1372378910 /nfs/dbraw/zinc/37/89/10/1372378910.db2.gz LEVODIGUNMABKJ-NHYWBVRUSA-N 1 0 339.367 2.419 20 5 EEBDRO CC[N@H+](CCNC(=O)Cc1cnc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001753083552 1406673483 /nfs/dbraw/zinc/67/34/83/1406673483.db2.gz JNVQBRXKCBZYFH-UHFFFAOYSA-N 1 0 346.387 2.072 20 5 EEBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CC[NH2+]C1 ZINC001577658269 1403667380 /nfs/dbraw/zinc/66/73/80/1403667380.db2.gz ZDCYXRBVEJZAEN-CYBMUJFWSA-N 1 0 344.419 2.309 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC001578422607 1403752888 /nfs/dbraw/zinc/75/28/88/1403752888.db2.gz AYRGGRRHWOGUSP-UHFFFAOYSA-N 1 0 338.383 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000590684552 721925777 /nfs/dbraw/zinc/92/57/77/721925777.db2.gz QUYSABJEPUAQMY-INIZCTEOSA-N 1 0 342.399 2.444 20 5 EEBDRO COc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165046047 721964601 /nfs/dbraw/zinc/96/46/01/721964601.db2.gz HHBJXHKCHDXVPW-ZDUSSCGKSA-N 1 0 335.408 2.238 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000893603209 774535225 /nfs/dbraw/zinc/53/52/25/774535225.db2.gz VHFJNTIMLAPKOZ-NSHDSACASA-N 1 0 340.811 2.389 20 5 EEBDRO O=C(c1cscn1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980825154 775742954 /nfs/dbraw/zinc/74/29/54/775742954.db2.gz BHCATXXBJHRTKB-UHFFFAOYSA-N 1 0 346.412 2.399 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000809732367 783314653 /nfs/dbraw/zinc/31/46/53/783314653.db2.gz CFIQDOPGJBGPSY-OAHLLOKOSA-N 1 0 348.428 2.343 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000907358048 784561150 /nfs/dbraw/zinc/56/11/50/784561150.db2.gz MVNAZLRZEKRLEE-UHFFFAOYSA-N 1 0 337.420 2.300 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000817484301 784791489 /nfs/dbraw/zinc/79/14/89/784791489.db2.gz PVHXXHRACHZBCB-UHFFFAOYSA-N 1 0 327.331 2.476 20 5 EEBDRO CN(CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000818955712 785341977 /nfs/dbraw/zinc/34/19/77/785341977.db2.gz BQEUPIBJWLTFTI-CYBMUJFWSA-N 1 0 335.326 2.102 20 5 EEBDRO O=C1Nc2ccccc2[C@H]1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818978407 785347564 /nfs/dbraw/zinc/34/75/64/785347564.db2.gz JLNVGDSMTLFWHD-NVXWUHKLSA-N 1 0 341.367 2.344 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000819061933 785381965 /nfs/dbraw/zinc/38/19/65/785381965.db2.gz YGEHGIYJWYXMRI-DVOMOZLQSA-N 1 0 335.404 2.007 20 5 EEBDRO CSC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819107479 785406729 /nfs/dbraw/zinc/40/67/29/785406729.db2.gz IWGLAZYPAUNNOB-AWEZNQCLSA-N 1 0 326.418 2.130 20 5 EEBDRO COc1ccc(OC)c([C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000819190894 785455782 /nfs/dbraw/zinc/45/57/82/785455782.db2.gz LPZTVMFSLYFXTE-KRWDZBQOSA-N 1 0 346.383 2.478 20 5 EEBDRO C[NH+](C)C1(C(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CCC1 ZINC001107379902 787071222 /nfs/dbraw/zinc/07/12/22/787071222.db2.gz OSCVKDOVDLTMAJ-AATRIKPKSA-N 1 0 332.404 2.163 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107470764 787325504 /nfs/dbraw/zinc/32/55/04/787325504.db2.gz DHUAXPIVTLKEPD-WAYWQWQTSA-N 1 0 332.404 2.021 20 5 EEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000911704340 787666263 /nfs/dbraw/zinc/66/62/63/787666263.db2.gz SAQGITXQDJTVTM-NSHDSACASA-N 1 0 325.796 2.297 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823790717 787946385 /nfs/dbraw/zinc/94/63/85/787946385.db2.gz KIXLCLSPZHCJSI-OHFALNGGSA-N 1 0 329.400 2.108 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938576 787993037 /nfs/dbraw/zinc/99/30/37/787993037.db2.gz IVFSFJBNMPSDAU-DGCLKSJQSA-N 1 0 333.392 2.268 20 5 EEBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912805921 788365108 /nfs/dbraw/zinc/36/51/08/788365108.db2.gz BVXNQQMMEMGYIE-LRDDRELGSA-N 1 0 334.420 2.369 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3nc(C4CC4)nc(Cl)c3[N+](=O)[O-])c2c1 ZINC001170017383 805903999 /nfs/dbraw/zinc/90/39/99/805903999.db2.gz QWGJGNOSVRGOPK-UHFFFAOYSA-N 1 0 345.750 2.108 20 5 EEBDRO Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000846018053 790024253 /nfs/dbraw/zinc/02/42/53/790024253.db2.gz KIVVPRAJBYUWRR-ZDUSSCGKSA-N 1 0 346.362 2.416 20 5 EEBDRO CSCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997513467 790133111 /nfs/dbraw/zinc/13/31/11/790133111.db2.gz QHFASTDWWNOKLU-UHFFFAOYSA-N 1 0 337.445 2.286 20 5 EEBDRO CCCNC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129988776 791347897 /nfs/dbraw/zinc/34/78/97/791347897.db2.gz ZAEJCVHPMQWLJM-UHFFFAOYSA-N 1 0 334.420 2.070 20 5 EEBDRO CC(C)(C)c1n[nH]cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147328449 791786827 /nfs/dbraw/zinc/78/68/27/791786827.db2.gz UMVTYBOSLCOVLF-UHFFFAOYSA-N 1 0 345.403 2.135 20 5 EEBDRO COCC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172903532 791790755 /nfs/dbraw/zinc/79/07/55/791790755.db2.gz AHAXZAIBPXSAPR-UHFFFAOYSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001094253448 796041290 /nfs/dbraw/zinc/04/12/90/796041290.db2.gz PGQLRVPIBWNIDH-UHFFFAOYSA-N 1 0 339.355 2.393 20 5 EEBDRO CNC(=O)NC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913648 797147910 /nfs/dbraw/zinc/14/79/10/797147910.db2.gz SXZZDDMOJFIODS-INIZCTEOSA-N 1 0 346.431 2.236 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1F ZINC001173180753 797278515 /nfs/dbraw/zinc/27/85/15/797278515.db2.gz MWSDUTIWRXXARN-MJVIPROJSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCC(=O)N(C)C)c1F ZINC001173194937 797283377 /nfs/dbraw/zinc/28/33/77/797283377.db2.gz BAVMYHHLJKCLSF-LLVKDONJSA-N 1 0 341.383 2.084 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCOCC2)CC1 ZINC001173230722 797311458 /nfs/dbraw/zinc/31/14/58/797311458.db2.gz ZXIAQDDCGQUEEP-HNNXBMFYSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCc1ccccc1 ZINC001173213889 797315780 /nfs/dbraw/zinc/31/57/80/797315780.db2.gz LRJGGEUJYRBXGP-AWEZNQCLSA-N 1 0 327.384 2.432 20 5 EEBDRO N=C(Nc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])SCC[NH3+] ZINC001157130489 806726083 /nfs/dbraw/zinc/72/60/83/806726083.db2.gz FRALSEAQWOSIPX-UHFFFAOYSA-N 1 0 344.706 2.096 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086311330 802715129 /nfs/dbraw/zinc/71/51/29/802715129.db2.gz CRDJWBFYBSIRKS-CTYIDZIISA-N 1 0 342.399 2.232 20 5 EEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001168984802 803548297 /nfs/dbraw/zinc/54/82/97/803548297.db2.gz AHGUGZXTUYBEHU-SCRDCRAPSA-N 1 0 327.425 2.277 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)C1 ZINC001168955727 803548850 /nfs/dbraw/zinc/54/88/50/803548850.db2.gz BOXORZPHVJHLHQ-AAEUAGOBSA-N 1 0 339.827 2.134 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](F)(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168962384 803551194 /nfs/dbraw/zinc/55/11/94/803551194.db2.gz MDNNIWZIFLWHPS-ZENOOKHLSA-N 1 0 345.415 2.371 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC001168963665 803552136 /nfs/dbraw/zinc/55/21/36/803552136.db2.gz PLQYUNFQWSWCPA-SGMGOOAPSA-N 1 0 326.418 2.186 20 5 EEBDRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967694 803553499 /nfs/dbraw/zinc/55/34/99/803553499.db2.gz SNNDZLPIZVFRQE-RHSMWYFYSA-N 1 0 331.416 2.326 20 5 EEBDRO CC(C)(C)OC(=O)C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC([NH3+])CC1 ZINC001168973900 803556472 /nfs/dbraw/zinc/55/64/72/803556472.db2.gz PJQLWZDIJUNFED-PEUXKQIOSA-N 1 0 341.452 2.003 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001169005867 803568138 /nfs/dbraw/zinc/56/81/38/803568138.db2.gz VESYTKLXCKMJFY-LESCRADOSA-N 1 0 345.443 2.258 20 5 EEBDRO CCOC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168987894 803572371 /nfs/dbraw/zinc/57/23/71/803572371.db2.gz LDRXCVKNZWBLFA-BJJXKVORSA-N 1 0 336.388 2.422 20 5 EEBDRO COC(=O)c1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036412 803579910 /nfs/dbraw/zinc/57/99/10/803579910.db2.gz FTUDDXFVSDUFDZ-YOEHRIQHSA-N 1 0 347.415 2.041 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169037265 803580975 /nfs/dbraw/zinc/58/09/75/803580975.db2.gz RPSXBIHZLLKJSR-GXTWGEPZSA-N 1 0 339.436 2.421 20 5 EEBDRO Cc1ccccc1C(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169044702 803586199 /nfs/dbraw/zinc/58/61/99/803586199.db2.gz ISPJUYSTHJPHQC-JKSUJKDBSA-N 1 0 331.416 2.198 20 5 EEBDRO O=C1CCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001169020317 803587573 /nfs/dbraw/zinc/58/75/73/803587573.db2.gz LBBKPQHEROJFKQ-HOTGVXAUSA-N 1 0 335.448 2.299 20 5 EEBDRO O=C(c1ccccc1)N1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169022714 803588800 /nfs/dbraw/zinc/58/88/00/803588800.db2.gz SCYDRCICTPKBCN-LEUOFYLZSA-N 1 0 343.427 2.136 20 5 EEBDRO COc1cc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ccn1 ZINC001169054994 803597100 /nfs/dbraw/zinc/59/71/00/803597100.db2.gz OXRYBAXEQOQZAS-HIFRSBDPSA-N 1 0 334.420 2.094 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC001169169156 803647965 /nfs/dbraw/zinc/64/79/65/803647965.db2.gz NPEJTUXJZPFYIY-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO CCOC(=O)C1(Nc2cc([N+](=O)[O-])cc(F)c2C)CC[NH+](C)CC1 ZINC001169501144 803796335 /nfs/dbraw/zinc/79/63/35/803796335.db2.gz NSFYSMCACWYUKY-UHFFFAOYSA-N 1 0 339.367 2.482 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@H]1C ZINC000787240928 807064784 /nfs/dbraw/zinc/06/47/84/807064784.db2.gz SGJUZERIQMRPNS-BLLLJJGKSA-N 1 0 344.371 2.299 20 5 EEBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCO1 ZINC000788618939 807609228 /nfs/dbraw/zinc/60/92/28/807609228.db2.gz LIBWDPYTQAEDKD-MSOLQXFVSA-N 1 0 349.431 2.347 20 5 EEBDRO CN(CC(C)(C)CNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001113452535 809011307 /nfs/dbraw/zinc/01/13/07/809011307.db2.gz ADPIADFWNUZZMH-UHFFFAOYSA-N 1 0 336.436 2.443 20 5 EEBDRO CNC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001170313284 809886660 /nfs/dbraw/zinc/88/66/60/809886660.db2.gz KNEUHHLQMLPWSL-XHDPSFHLSA-N 1 0 337.420 2.285 20 5 EEBDRO CCOC(=O)C1=C(Nc2ccc3cnccc3c2[N+](=O)[O-])CC[NH2+]C1 ZINC001170517985 812093555 /nfs/dbraw/zinc/09/35/55/812093555.db2.gz WWOKWZCFQXLWPW-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnc(C2CC2)c1 ZINC001130877398 812141932 /nfs/dbraw/zinc/14/19/32/812141932.db2.gz PWCWHZHVSDTWEA-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000808218925 812522636 /nfs/dbraw/zinc/52/26/36/812522636.db2.gz KTGKMSNPVMYLIK-CQSZACIVSA-N 1 0 349.431 2.079 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2ncccc2o1 ZINC001131443770 812835754 /nfs/dbraw/zinc/83/57/54/812835754.db2.gz VLRXPDWPOTXHEX-UHFFFAOYSA-N 1 0 346.368 2.317 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)Cc1ccccc1 ZINC001522810345 1119509777 /nfs/dbraw/zinc/50/97/77/1119509777.db2.gz LOTRLECRAAKZRB-INIZCTEOSA-N 1 0 327.384 2.464 20 5 EEBDRO CC1(C)CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC001548583944 1124352230 /nfs/dbraw/zinc/35/22/30/1124352230.db2.gz DLQUURXYBGOQDO-GFCCVEGCSA-N 1 0 345.321 2.352 20 5 EEBDRO CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000183754336 529394461 /nfs/dbraw/zinc/39/44/61/529394461.db2.gz LRIJTTRNBDBDEM-QGZVFWFLSA-N 1 0 343.431 2.388 20 5 EEBDRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174653679 231270545 /nfs/dbraw/zinc/27/05/45/231270545.db2.gz IJFKKTAAPXNTSJ-KDOFPFPSSA-N 1 0 344.415 2.453 20 5 EEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000067869993 215236439 /nfs/dbraw/zinc/23/64/39/215236439.db2.gz OXYXJVXHIAEOMX-UHFFFAOYSA-N 1 0 346.343 2.330 20 5 EEBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000127738983 222876850 /nfs/dbraw/zinc/87/68/50/222876850.db2.gz CXQTVNXRDOUFJW-OAHLLOKOSA-N 1 0 340.383 2.299 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000358351326 283180088 /nfs/dbraw/zinc/18/00/88/283180088.db2.gz LWEKNFSXNWSKCN-AWEZNQCLSA-N 1 0 336.436 2.268 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000349050005 283603116 /nfs/dbraw/zinc/60/31/16/283603116.db2.gz IXSSVVCOVLTLLR-SNVBAGLBSA-N 1 0 330.319 2.197 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000072603294 216281312 /nfs/dbraw/zinc/28/13/12/216281312.db2.gz AMQQDHWNBQDAAE-CQSZACIVSA-N 1 0 338.795 2.331 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072860175 216321087 /nfs/dbraw/zinc/32/10/87/216321087.db2.gz WFQDUHBTNPIIDZ-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO CCOC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072977436 216336802 /nfs/dbraw/zinc/33/68/02/216336802.db2.gz KTRSJOJTOXETPT-HOCLYGCPSA-N 1 0 338.404 2.083 20 5 EEBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]CC1 ZINC000423520377 240514479 /nfs/dbraw/zinc/51/44/79/240514479.db2.gz KDJGHCGSHDMNTJ-UHFFFAOYSA-N 1 0 328.372 2.263 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423648521 240559543 /nfs/dbraw/zinc/55/95/43/240559543.db2.gz DYKCSHMXICPXHE-NSHDSACASA-N 1 0 337.376 2.019 20 5 EEBDRO Cc1noc(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447578456 242291031 /nfs/dbraw/zinc/29/10/31/242291031.db2.gz FPAJIFBAOOQFBD-QWHCGFSZSA-N 1 0 334.380 2.189 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236670501 242315808 /nfs/dbraw/zinc/31/58/08/242315808.db2.gz AYJNSFNCEFOZIK-HNNXBMFYSA-N 1 0 346.431 2.298 20 5 EEBDRO C[N@H+]1CC=C(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447817099 242322331 /nfs/dbraw/zinc/32/23/31/242322331.db2.gz OMZWHSUCWAAVSH-UHFFFAOYSA-N 1 0 346.431 2.101 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451500164 243135731 /nfs/dbraw/zinc/13/57/31/243135731.db2.gz MVZORSDXGGMEEX-IUIKQTSFSA-N 1 0 335.404 2.491 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451700629 243213448 /nfs/dbraw/zinc/21/34/48/243213448.db2.gz YBOCSNKENDVOPX-KFWWJZLASA-N 1 0 347.415 2.406 20 5 EEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451592026 243169927 /nfs/dbraw/zinc/16/99/27/243169927.db2.gz PTCJKZCSVBZLHD-OLZOCXBDSA-N 1 0 349.387 2.245 20 5 EEBDRO CCOC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712267 245217887 /nfs/dbraw/zinc/21/78/87/245217887.db2.gz WEVNPJBQIQCEJD-JKSUJKDBSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459748327 245234368 /nfs/dbraw/zinc/23/43/68/245234368.db2.gz KERTWAYBMGQALN-RYUDHWBXSA-N 1 0 331.376 2.396 20 5 EEBDRO CCc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471664717 245388576 /nfs/dbraw/zinc/38/85/76/245388576.db2.gz AUNCDYAPLCLDQO-OKILXGFUSA-N 1 0 349.431 2.386 20 5 EEBDRO O=C1CCCN1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000264147818 246109321 /nfs/dbraw/zinc/10/93/21/246109321.db2.gz CMDYYVFXBIGMAO-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264598105 246677472 /nfs/dbraw/zinc/67/74/72/246677472.db2.gz MXHSTUXKKYCQMV-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265139217 247239212 /nfs/dbraw/zinc/23/92/12/247239212.db2.gz BDGJEIUTHWGAIS-CQSZACIVSA-N 1 0 328.372 2.317 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087302 248087007 /nfs/dbraw/zinc/08/70/07/248087007.db2.gz OBSZYPXJAHYNST-SMDDNHRTSA-N 1 0 330.388 2.488 20 5 EEBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[NH2+]CC1 ZINC000422705450 284707276 /nfs/dbraw/zinc/70/72/76/284707276.db2.gz CCJPKYJTHAIFHK-UHFFFAOYSA-N 1 0 339.370 2.256 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434371 218226658 /nfs/dbraw/zinc/22/66/58/218226658.db2.gz WSPKPHWSIUZHFU-SECBINFHSA-N 1 0 329.198 2.318 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411956738 533005575 /nfs/dbraw/zinc/00/55/75/533005575.db2.gz AJRPHOFRGGBRSX-IFIJOSMWSA-N 1 0 338.404 2.128 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000133118307 533024513 /nfs/dbraw/zinc/02/45/13/533024513.db2.gz UNTYTQDNVQALRU-JTQLQIEISA-N 1 0 339.417 2.149 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCNc2ccccn2)n1 ZINC000447546807 285169811 /nfs/dbraw/zinc/16/98/11/285169811.db2.gz YZMUTTCRRWZNIB-KGLIPLIRSA-N 1 0 330.392 2.372 20 5 EEBDRO C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000415995497 533207273 /nfs/dbraw/zinc/20/72/73/533207273.db2.gz NBSRUYABCHNEHR-LDYMZIIASA-N 1 0 334.298 2.235 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269242869 255551509 /nfs/dbraw/zinc/55/15/09/255551509.db2.gz YSAFYZLJIYYJDO-GXTWGEPZSA-N 1 0 332.404 2.004 20 5 EEBDRO CCc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267134795 256030704 /nfs/dbraw/zinc/03/07/04/256030704.db2.gz SHMYGEFCHJUBQM-INIZCTEOSA-N 1 0 337.445 2.324 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270306736 256122225 /nfs/dbraw/zinc/12/22/25/256122225.db2.gz ZHSITMBMFFLJPB-MRXNPFEDSA-N 1 0 331.416 2.328 20 5 EEBDRO Cc1cc(NCC2(C(N)=O)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272814666 256241066 /nfs/dbraw/zinc/24/10/66/256241066.db2.gz HQGAFUFHAYJSBL-UHFFFAOYSA-N 1 0 344.371 2.145 20 5 EEBDRO COc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272864269 256245007 /nfs/dbraw/zinc/24/50/07/256245007.db2.gz STRCFDNCLVQVQO-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000272891310 256247268 /nfs/dbraw/zinc/24/72/68/256247268.db2.gz YQNAUXHRJBMFQM-OLZOCXBDSA-N 1 0 334.376 2.304 20 5 EEBDRO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187070609 533532835 /nfs/dbraw/zinc/53/28/35/533532835.db2.gz BGBYWCDGNRFGJT-VXGBXAGGSA-N 1 0 326.418 2.459 20 5 EEBDRO C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C[NH3+])C1 ZINC000420344744 533643254 /nfs/dbraw/zinc/64/32/54/533643254.db2.gz UPFVDRWLDDXCNQ-SMDDNHRTSA-N 1 0 331.376 2.204 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116126888 140766845 /nfs/dbraw/zinc/76/68/45/140766845.db2.gz FFTCMEXPUZRVNV-HNNXBMFYSA-N 1 0 337.420 2.456 20 5 EEBDRO CN(CC[NH+]1CCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000089899345 292213777 /nfs/dbraw/zinc/21/37/77/292213777.db2.gz TZQWSADLGGILDL-UHFFFAOYSA-N 1 0 331.376 2.172 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262580755 152294193 /nfs/dbraw/zinc/29/41/93/152294193.db2.gz OKKRXCRTVPBYJA-GHMZBOCLSA-N 1 0 341.795 2.083 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377162877 154068606 /nfs/dbraw/zinc/06/86/06/154068606.db2.gz ODSJTIBMOFPDRP-INIZCTEOSA-N 1 0 346.431 2.014 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185855533 160049794 /nfs/dbraw/zinc/04/97/94/160049794.db2.gz TYYIWPGLALIHFX-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342275190 161052715 /nfs/dbraw/zinc/05/27/15/161052715.db2.gz ALSASYZBFXLIQB-VXGBXAGGSA-N 1 0 326.324 2.127 20 5 EEBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000343068161 161100122 /nfs/dbraw/zinc/10/01/22/161100122.db2.gz QGZPIXDSIWGBSZ-ZIAGYGMSSA-N 1 0 335.404 2.353 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352512119 162165927 /nfs/dbraw/zinc/16/59/27/162165927.db2.gz NNAFUDRERMIMDO-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352695715 162249875 /nfs/dbraw/zinc/24/98/75/162249875.db2.gz FBVZCJYNGOBIMT-CYBMUJFWSA-N 1 0 335.408 2.092 20 5 EEBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000352714568 162257391 /nfs/dbraw/zinc/25/73/91/162257391.db2.gz FHQYUOVILREWLN-OAHLLOKOSA-N 1 0 348.346 2.498 20 5 EEBDRO CCC[C@@]1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCOC1 ZINC000352839244 162306889 /nfs/dbraw/zinc/30/68/89/162306889.db2.gz OHMGAAURHFICHM-QGZVFWFLSA-N 1 0 349.387 2.442 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000355334062 163150090 /nfs/dbraw/zinc/15/00/90/163150090.db2.gz LLZIDDKYMKVTCE-UHFFFAOYSA-N 1 0 342.399 2.387 20 5 EEBDRO Cc1cc(NCC[N@H+]2CC=CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000360123393 164238559 /nfs/dbraw/zinc/23/85/59/164238559.db2.gz OXPDHLRQBKOWNW-UHFFFAOYSA-N 1 0 339.399 2.456 20 5 EEBDRO C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000360613826 164350973 /nfs/dbraw/zinc/35/09/73/164350973.db2.gz VPJWVZVIVCRWAJ-GOEBONIOSA-N 1 0 336.436 2.445 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111364 164428767 /nfs/dbraw/zinc/42/87/67/164428767.db2.gz QXWAMARJLIAKFG-ZIAGYGMSSA-N 1 0 333.388 2.111 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000364659795 165224309 /nfs/dbraw/zinc/22/43/09/165224309.db2.gz PXWMQSSKKKTPCU-UWVGGRQHSA-N 1 0 345.446 2.099 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368898002 166148360 /nfs/dbraw/zinc/14/83/60/166148360.db2.gz VSNWCUNFUDWKDI-HIFRSBDPSA-N 1 0 339.779 2.344 20 5 EEBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000369272337 166225245 /nfs/dbraw/zinc/22/52/45/166225245.db2.gz BBPNGWJYBDMZTD-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000369382351 166249528 /nfs/dbraw/zinc/24/95/28/166249528.db2.gz AEVSYWLSPFTXLE-AWEZNQCLSA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000374035162 167007628 /nfs/dbraw/zinc/00/76/28/167007628.db2.gz QDRMISYWFVIXOM-OAHLLOKOSA-N 1 0 347.415 2.369 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000374905115 167065081 /nfs/dbraw/zinc/06/50/81/167065081.db2.gz VPHUODNXDOXBBL-LBPRGKRZSA-N 1 0 347.371 2.070 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375260220 167098844 /nfs/dbraw/zinc/09/88/44/167098844.db2.gz LCGOSYMDWQXCCJ-UHFFFAOYSA-N 1 0 343.387 2.077 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375739143 167182220 /nfs/dbraw/zinc/18/22/20/167182220.db2.gz XNRZHMLCGBEUKR-WMLDXEAASA-N 1 0 346.431 2.482 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000274413423 269031336 /nfs/dbraw/zinc/03/13/36/269031336.db2.gz WGYRROFFGKKJNC-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000274437475 269033318 /nfs/dbraw/zinc/03/33/18/269033318.db2.gz PIQGBPTVVSWVIY-VXGBXAGGSA-N 1 0 343.387 2.240 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000274901148 269072506 /nfs/dbraw/zinc/07/25/06/269072506.db2.gz PQAWYHQDVWZYHB-VIFPVBQESA-N 1 0 344.318 2.269 20 5 EEBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277747033 269177984 /nfs/dbraw/zinc/17/79/84/269177984.db2.gz LGARAXILUMSGAL-QGZVFWFLSA-N 1 0 335.404 2.185 20 5 EEBDRO C[C@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000280335281 269352755 /nfs/dbraw/zinc/35/27/55/269352755.db2.gz HYJKKCCAEYILIZ-GFCCVEGCSA-N 1 0 336.388 2.444 20 5 EEBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000237139051 274088716 /nfs/dbraw/zinc/08/87/16/274088716.db2.gz QKWYVMKIOKYBIN-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000278397605 274351339 /nfs/dbraw/zinc/35/13/39/274351339.db2.gz FRGGJVWKKIYCDQ-ZDUSSCGKSA-N 1 0 337.395 2.419 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000286977132 274923722 /nfs/dbraw/zinc/92/37/22/274923722.db2.gz GMBJLRIHOQXYCQ-HUUCEWRRSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287256581 274948876 /nfs/dbraw/zinc/94/88/76/274948876.db2.gz RICQYZCZQPNJIQ-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367420836 275035831 /nfs/dbraw/zinc/03/58/31/275035831.db2.gz VQMRKVZAYFIBJZ-DZGCQCFKSA-N 1 0 325.796 2.284 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288395922 275053980 /nfs/dbraw/zinc/05/39/80/275053980.db2.gz MQLUUEPCGFPNBQ-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO CC(C)(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289187198 275103005 /nfs/dbraw/zinc/10/30/05/275103005.db2.gz ISVQSJKXGXASQB-SFHVURJKSA-N 1 0 331.416 2.475 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000290636835 275224845 /nfs/dbraw/zinc/22/48/45/275224845.db2.gz HOGRZLVZAFBHQD-LLVKDONJSA-N 1 0 329.422 2.139 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000121726579 276198713 /nfs/dbraw/zinc/19/87/13/276198713.db2.gz RYURDQCTROQOQL-GFCCVEGCSA-N 1 0 340.374 2.089 20 5 EEBDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178726732 276261622 /nfs/dbraw/zinc/26/16/22/276261622.db2.gz NXGFUOSWMWPYLL-LBPRGKRZSA-N 1 0 336.392 2.039 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000161266617 277182544 /nfs/dbraw/zinc/18/25/44/277182544.db2.gz PJKGBVJZPNNHEA-YGRLFVJLSA-N 1 0 339.342 2.429 20 5 EEBDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589035 277332654 /nfs/dbraw/zinc/33/26/54/277332654.db2.gz WJVBVMCSMYYCPZ-KGLIPLIRSA-N 1 0 337.424 2.027 20 5 EEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000071847793 280320774 /nfs/dbraw/zinc/32/07/74/280320774.db2.gz FRSZVGZWOCPIMP-OAHLLOKOSA-N 1 0 335.404 2.086 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282665235 292848916 /nfs/dbraw/zinc/84/89/16/292848916.db2.gz IVIARBPMDCRPRM-AWEZNQCLSA-N 1 0 338.404 2.112 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293193565 293148386 /nfs/dbraw/zinc/14/83/86/293148386.db2.gz WOUZRLNBZCTPJC-INIZCTEOSA-N 1 0 338.404 2.369 20 5 EEBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[N@H+]1C ZINC000293411503 293202102 /nfs/dbraw/zinc/20/21/02/293202102.db2.gz MNALUVLQFKQUKS-TXEJJXNPSA-N 1 0 338.383 2.087 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293790566 293296654 /nfs/dbraw/zinc/29/66/54/293296654.db2.gz OQXIJQXKQRGFBW-VIFPVBQESA-N 1 0 344.209 2.285 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000294329359 293426351 /nfs/dbraw/zinc/42/63/51/293426351.db2.gz HYTUSIYGQAOZOR-UHFFFAOYSA-N 1 0 338.383 2.016 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000294794503 293545807 /nfs/dbraw/zinc/54/58/07/293545807.db2.gz HWJNBEFYMVRBQZ-HNNXBMFYSA-N 1 0 346.431 2.457 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000296067018 293884350 /nfs/dbraw/zinc/88/43/50/293884350.db2.gz WJEOAWZVLFWVPF-CYBMUJFWSA-N 1 0 344.419 2.311 20 5 EEBDRO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000297404463 294235090 /nfs/dbraw/zinc/23/50/90/294235090.db2.gz KUIBBBWSICLGJZ-CQSZACIVSA-N 1 0 339.392 2.085 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423715022 295284279 /nfs/dbraw/zinc/28/42/79/295284279.db2.gz GXWMBEQUPSMIOW-CHWSQXEVSA-N 1 0 333.388 2.065 20 5 EEBDRO Cn1ccnc1[C@H](NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423367643 303003902 /nfs/dbraw/zinc/00/39/02/303003902.db2.gz YQQYLEBUPJFEMW-GDBMZVCRSA-N 1 0 329.404 2.149 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000332465559 312011573 /nfs/dbraw/zinc/01/15/73/312011573.db2.gz IVTDRROBQQADJT-CABCVRRESA-N 1 0 347.415 2.367 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)o1 ZINC000414564185 313042167 /nfs/dbraw/zinc/04/21/67/313042167.db2.gz XKFTVXXHTARDHT-MLGOLLRUSA-N 1 0 332.356 2.030 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415490941 313131233 /nfs/dbraw/zinc/13/12/33/313131233.db2.gz AUNHKFTVKOBYIG-CYZMBNFOSA-N 1 0 334.376 2.195 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415652674 313162422 /nfs/dbraw/zinc/16/24/22/313162422.db2.gz HRSPKRIRHYWXCE-INIZCTEOSA-N 1 0 334.376 2.211 20 5 EEBDRO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000416506797 313241505 /nfs/dbraw/zinc/24/15/05/313241505.db2.gz KJUDZTMFYGLXKY-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000420957054 314008630 /nfs/dbraw/zinc/00/86/30/314008630.db2.gz ZALKEODEYKXOSG-ARFHVFGLSA-N 1 0 338.404 2.224 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421746124 314154131 /nfs/dbraw/zinc/15/41/31/314154131.db2.gz ANJVXASSMIISEJ-UHFFFAOYSA-N 1 0 335.404 2.052 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430607514 314557927 /nfs/dbraw/zinc/55/79/27/314557927.db2.gz YVIAQTUBYKUKGF-GFCCVEGCSA-N 1 0 331.376 2.076 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000437226504 315031745 /nfs/dbraw/zinc/03/17/45/315031745.db2.gz HONJHFZHKLLOKU-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000439089175 315066938 /nfs/dbraw/zinc/06/69/38/315066938.db2.gz WELRVGBNBJAXBI-GFCCVEGCSA-N 1 0 343.387 2.273 20 5 EEBDRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000440419796 315130331 /nfs/dbraw/zinc/13/03/31/315130331.db2.gz FHVXMKQTXZPLOT-GFCCVEGCSA-N 1 0 349.412 2.234 20 5 EEBDRO COC(=O)c1cnc(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443948206 315265752 /nfs/dbraw/zinc/26/57/52/315265752.db2.gz QELKZBYIAUMIEV-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccc(F)cc2)n1 ZINC000449197755 315430430 /nfs/dbraw/zinc/43/04/30/315430430.db2.gz XLYWFRLSTJUOKM-UHFFFAOYSA-N 1 0 344.350 2.121 20 5 EEBDRO CNc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000516866460 316602767 /nfs/dbraw/zinc/60/27/67/316602767.db2.gz ZDSLBGUJUIZRDI-INIZCTEOSA-N 1 0 340.383 2.253 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527476749 317198644 /nfs/dbraw/zinc/19/86/44/317198644.db2.gz CASFDGZCPCAOLC-HNNXBMFYSA-N 1 0 342.399 2.185 20 5 EEBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000542574349 318132741 /nfs/dbraw/zinc/13/27/41/318132741.db2.gz NGAQUCPNOOVJRB-CZUORRHYSA-N 1 0 348.403 2.463 20 5 EEBDRO CN1Cc2ccccc2[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000542808591 318142343 /nfs/dbraw/zinc/14/23/43/318142343.db2.gz UHPWSZTYPSHSAH-MRXNPFEDSA-N 1 0 327.340 2.217 20 5 EEBDRO O=C(CC[NH2+]CCCNc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000564854580 319118791 /nfs/dbraw/zinc/11/87/91/319118791.db2.gz NRDMUNAWZMAVKB-UHFFFAOYSA-N 1 0 343.387 2.410 20 5 EEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000578065036 320292317 /nfs/dbraw/zinc/29/23/17/320292317.db2.gz BNSWLXHDPQZGLZ-VIFPVBQESA-N 1 0 340.323 2.157 20 5 EEBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000182319134 323372270 /nfs/dbraw/zinc/37/22/70/323372270.db2.gz QYPUFYFHURDNFF-ZBFHGGJFSA-N 1 0 333.388 2.031 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000133662091 462956830 /nfs/dbraw/zinc/95/68/30/462956830.db2.gz MMKJYVWHGMMWOS-BXKDBHETSA-N 1 0 348.359 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCS(=O)(=O)CC1)CCC2 ZINC000193052187 465024790 /nfs/dbraw/zinc/02/47/90/465024790.db2.gz BSHMXOHRAPJKTK-MRXNPFEDSA-N 1 0 338.429 2.387 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230135185 464202829 /nfs/dbraw/zinc/20/28/29/464202829.db2.gz ZJSLBLOWJCFPES-DVVUODLYSA-N 1 0 341.209 2.316 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc2ncccc21 ZINC000325861808 465032288 /nfs/dbraw/zinc/03/22/88/465032288.db2.gz YKCLQSXKOYSHQD-STQMWFEESA-N 1 0 328.372 2.418 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000341211748 465058953 /nfs/dbraw/zinc/05/89/53/465058953.db2.gz PMFJDJOJEREHAB-AEFFLSMTSA-N 1 0 346.383 2.048 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000354686339 465094812 /nfs/dbraw/zinc/09/48/12/465094812.db2.gz ICIORILFFPWPFW-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+](C2CC2)C1 ZINC000296166960 465101258 /nfs/dbraw/zinc/10/12/58/465101258.db2.gz WYJHIYVCCZVZFI-CYBMUJFWSA-N 1 0 347.415 2.377 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000354735629 465122239 /nfs/dbraw/zinc/12/22/39/465122239.db2.gz SFGFQHNSVQNSKF-GXTWGEPZSA-N 1 0 343.387 2.192 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000339241033 465160474 /nfs/dbraw/zinc/16/04/74/465160474.db2.gz VMQQXYFWUJNISI-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO NC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503796 465189693 /nfs/dbraw/zinc/18/96/93/465189693.db2.gz UAFVZEGVUAPJJF-GJZGRUSLSA-N 1 0 343.387 2.164 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000590566424 468273716 /nfs/dbraw/zinc/27/37/16/468273716.db2.gz HXYHDKGAMRHHNI-ZIAGYGMSSA-N 1 0 335.404 2.223 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074123983 462558502 /nfs/dbraw/zinc/55/85/02/462558502.db2.gz LTQTYMSXVBRIDO-UHFFFAOYSA-N 1 0 336.436 2.491 20 5 EEBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000061379543 462582379 /nfs/dbraw/zinc/58/23/79/462582379.db2.gz ZLWUMRSFVMNMBD-UHFFFAOYSA-N 1 0 332.198 2.347 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000074317049 462583890 /nfs/dbraw/zinc/58/38/90/462583890.db2.gz QIOJJSSOCDEFJP-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152858373 462589085 /nfs/dbraw/zinc/58/90/85/462589085.db2.gz GZVIIMXYFQDPMA-UHFFFAOYSA-N 1 0 348.384 2.069 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN1CCOCC1 ZINC000127868338 462590336 /nfs/dbraw/zinc/59/03/36/462590336.db2.gz UQRDAHGQESPHNZ-LBPRGKRZSA-N 1 0 336.392 2.054 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153147480 462619228 /nfs/dbraw/zinc/61/92/28/462619228.db2.gz HMBKFIJHZMECFI-STQMWFEESA-N 1 0 331.294 2.133 20 5 EEBDRO Cc1cc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739824 462629229 /nfs/dbraw/zinc/62/92/29/462629229.db2.gz MQCQLXIRYHLKJC-INIZCTEOSA-N 1 0 342.399 2.129 20 5 EEBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000521394418 468308652 /nfs/dbraw/zinc/30/86/52/468308652.db2.gz FWYZELIQIPPCQT-UHFFFAOYSA-N 1 0 326.422 2.191 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000114400439 462643334 /nfs/dbraw/zinc/64/33/34/462643334.db2.gz UQJXIXNRPLITFN-GFCCVEGCSA-N 1 0 332.404 2.193 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000063727681 462666079 /nfs/dbraw/zinc/66/60/79/462666079.db2.gz JVSOUHVBSZMOAS-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116714819 462769804 /nfs/dbraw/zinc/76/98/04/462769804.db2.gz PIHLWLTUFWIBGY-UHFFFAOYSA-N 1 0 341.795 2.181 20 5 EEBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000090552513 462797544 /nfs/dbraw/zinc/79/75/44/462797544.db2.gz VLGSFNYTEHRONN-CABCVRRESA-N 1 0 335.404 2.036 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000009917075 462809156 /nfs/dbraw/zinc/80/91/56/462809156.db2.gz PYUFEIHBHINZQG-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000065760566 462825453 /nfs/dbraw/zinc/82/54/53/462825453.db2.gz APEUMULFSKNPCV-QLFBSQMISA-N 1 0 349.431 2.456 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000133218992 462909362 /nfs/dbraw/zinc/90/93/62/462909362.db2.gz VYJCFBHOVRSSHZ-CYBMUJFWSA-N 1 0 332.404 2.019 20 5 EEBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000066870241 462938777 /nfs/dbraw/zinc/93/87/77/462938777.db2.gz KAWHWBKXGIPYTP-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1OC ZINC000568381315 468327236 /nfs/dbraw/zinc/32/72/36/468327236.db2.gz FXDIAXFDBRSACJ-LLVKDONJSA-N 1 0 339.392 2.105 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000015128910 462941816 /nfs/dbraw/zinc/94/18/16/462941816.db2.gz SHAGGCFYGNEPIL-OAHLLOKOSA-N 1 0 342.399 2.279 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000133653235 462956206 /nfs/dbraw/zinc/95/62/06/462956206.db2.gz FIJMYIUHYLETNY-NVXWUHKLSA-N 1 0 331.416 2.388 20 5 EEBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000068202991 463104916 /nfs/dbraw/zinc/10/49/16/463104916.db2.gz VSXJHMFLUFDSSC-KBPBESRZSA-N 1 0 334.420 2.243 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078404053 463113681 /nfs/dbraw/zinc/11/36/81/463113681.db2.gz SVLNVANFHLJDNE-GFCCVEGCSA-N 1 0 325.796 2.407 20 5 EEBDRO O=C1NCCCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135436071 463155191 /nfs/dbraw/zinc/15/51/91/463155191.db2.gz MOVSCUSWLILKOZ-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1SC ZINC000157671915 463155396 /nfs/dbraw/zinc/15/53/96/463155396.db2.gz XSRDGZNAKWVCJQ-KOLCDFICSA-N 1 0 339.417 2.183 20 5 EEBDRO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000026449890 463163459 /nfs/dbraw/zinc/16/34/59/463163459.db2.gz AYNBYYVUXITNTH-UHFFFAOYSA-N 1 0 339.392 2.146 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000026720150 463170593 /nfs/dbraw/zinc/17/05/93/463170593.db2.gz FAQBQAPTYYMAMU-AWEZNQCLSA-N 1 0 334.401 2.470 20 5 EEBDRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000027419315 463190811 /nfs/dbraw/zinc/19/08/11/463190811.db2.gz IWAHWFQYQWNHNU-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CC(C)OCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121900167 463215283 /nfs/dbraw/zinc/21/52/83/463215283.db2.gz VWOWZHOESWHBBX-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000136496555 463242827 /nfs/dbraw/zinc/24/28/27/463242827.db2.gz HSWGZRBACQFKHC-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000030332110 463295339 /nfs/dbraw/zinc/29/53/39/463295339.db2.gz ILZZPLKOBLTKCP-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000122978237 463306186 /nfs/dbraw/zinc/30/61/86/463306186.db2.gz DORCAWCDXSJUST-UHFFFAOYSA-N 1 0 347.462 2.070 20 5 EEBDRO CN(CC[NH+](C)C)c1ccc(I)cc1[N+](=O)[O-] ZINC000080685028 463347992 /nfs/dbraw/zinc/34/79/92/463347992.db2.gz LKFGHHZYQYALCY-UHFFFAOYSA-N 1 0 349.172 2.197 20 5 EEBDRO O=[N+]([O-])c1cc(I)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000097351131 463355824 /nfs/dbraw/zinc/35/58/24/463355824.db2.gz GYHKAHRKCXWZTK-MRVPVSSYSA-N 1 0 348.140 2.188 20 5 EEBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000041488231 463491329 /nfs/dbraw/zinc/49/13/29/463491329.db2.gz FEPWVCKHRVAIAL-UHFFFAOYSA-N 1 0 349.435 2.180 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898570 463560738 /nfs/dbraw/zinc/56/07/38/463560738.db2.gz CTYXLILLSIQDJT-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(CCO)CCCC1)OCCO2 ZINC000072925886 463564174 /nfs/dbraw/zinc/56/41/74/463564174.db2.gz ICSBSIPIWIOSIS-UHFFFAOYSA-N 1 0 336.388 2.398 20 5 EEBDRO CCOCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000107679394 463577663 /nfs/dbraw/zinc/57/76/63/463577663.db2.gz JFNFNYYNCQLSOJ-UHFFFAOYSA-N 1 0 339.392 2.290 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000151767575 463588046 /nfs/dbraw/zinc/58/80/46/463588046.db2.gz KLFFNQBIUQEMJV-UHFFFAOYSA-N 1 0 334.420 2.313 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000108782114 463623185 /nfs/dbraw/zinc/62/31/85/463623185.db2.gz FHHQEKWTHOJOQA-RDNKVPPGSA-N 1 0 333.363 2.348 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000126310749 463624420 /nfs/dbraw/zinc/62/44/20/463624420.db2.gz XLGANZUTTFTVCP-AWEZNQCLSA-N 1 0 343.387 2.193 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000166729983 463658064 /nfs/dbraw/zinc/65/80/64/463658064.db2.gz PLBVPFOACXDJFM-LLVKDONJSA-N 1 0 342.193 2.229 20 5 EEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177790994 463792899 /nfs/dbraw/zinc/79/28/99/463792899.db2.gz OPZOCLAZFFSWBC-INIZCTEOSA-N 1 0 329.404 2.392 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178167242 463856034 /nfs/dbraw/zinc/85/60/34/463856034.db2.gz QRLMAIVXURXPQW-BETUJISGSA-N 1 0 334.420 2.275 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000261852630 463878833 /nfs/dbraw/zinc/87/88/33/463878833.db2.gz QFRNHWSEXFZPNV-HUUCEWRRSA-N 1 0 349.434 2.350 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261882881 463887668 /nfs/dbraw/zinc/88/76/68/463887668.db2.gz UIUNHZNAOMUHKF-ZFWWWQNUSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277178079 463900469 /nfs/dbraw/zinc/90/04/69/463900469.db2.gz LDFFQGWZPRDVOX-ZFWWWQNUSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269194907 463904161 /nfs/dbraw/zinc/90/41/61/463904161.db2.gz LEHBAMVXZLGALB-YPMHNXCESA-N 1 0 332.404 2.287 20 5 EEBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000283535864 463918067 /nfs/dbraw/zinc/91/80/67/463918067.db2.gz OBKGWOFEXHXCRM-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000269240334 463924134 /nfs/dbraw/zinc/92/41/34/463924134.db2.gz XYZHFWXZMKPXRP-UHFFFAOYSA-N 1 0 329.360 2.168 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(O)CCOCC3)cs2)c1 ZINC000172118613 463992766 /nfs/dbraw/zinc/99/27/66/463992766.db2.gz BJKSSPGSMVOQTM-UHFFFAOYSA-N 1 0 349.412 2.349 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)COC3)s2)cc1 ZINC000269515269 464005174 /nfs/dbraw/zinc/00/51/74/464005174.db2.gz VVGHSWDBKYJITD-UHFFFAOYSA-N 1 0 334.397 2.422 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568832066 468391033 /nfs/dbraw/zinc/39/10/33/468391033.db2.gz ACPHYHUUVZQEPX-GOEBONIOSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262816578 464048234 /nfs/dbraw/zinc/04/82/34/464048234.db2.gz PEQRQCWEYYSANH-LSDHHAIUSA-N 1 0 349.434 2.364 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186970352 464085230 /nfs/dbraw/zinc/08/52/30/464085230.db2.gz MMGRNOIEHIXMJO-INIZCTEOSA-N 1 0 346.431 2.116 20 5 EEBDRO Cc1nc(CN2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000221701814 464123562 /nfs/dbraw/zinc/12/35/62/464123562.db2.gz MAAWOMWPINJKCB-XQRVVYSFSA-N 1 0 343.387 2.117 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292374490 464211603 /nfs/dbraw/zinc/21/16/03/464211603.db2.gz RFDJEERGVVSEOE-MRXNPFEDSA-N 1 0 335.429 2.485 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292408209 464222332 /nfs/dbraw/zinc/22/23/32/464222332.db2.gz VOHTYNJIXQDPJT-ZDUSSCGKSA-N 1 0 341.209 2.284 20 5 EEBDRO COc1cc(CN2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180026094 464226093 /nfs/dbraw/zinc/22/60/93/464226093.db2.gz PQQSIOSBUFITTJ-SNVBAGLBSA-N 1 0 346.330 2.062 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000173599301 464291807 /nfs/dbraw/zinc/29/18/07/464291807.db2.gz FIAJZEMLMMYEEH-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173641969 464298620 /nfs/dbraw/zinc/29/86/20/464298620.db2.gz WJHYJTWQLRNBTA-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000281014885 464299621 /nfs/dbraw/zinc/29/96/21/464299621.db2.gz PBRREPSFULZHFL-ZDUSSCGKSA-N 1 0 335.408 2.153 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188549160 464309818 /nfs/dbraw/zinc/30/98/18/464309818.db2.gz BQBVUFQDBZQNEG-UHFFFAOYSA-N 1 0 347.415 2.305 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)COC ZINC000271450166 464314865 /nfs/dbraw/zinc/31/48/65/464314865.db2.gz GCRQCRKIMQXULG-CHWSQXEVSA-N 1 0 328.434 2.453 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237503231 464331044 /nfs/dbraw/zinc/33/10/44/464331044.db2.gz QUDGXEJMDFVTSH-DZGCQCFKSA-N 1 0 346.431 2.394 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292841925 464361305 /nfs/dbraw/zinc/36/13/05/464361305.db2.gz BDDHIZBPPZQAKU-MRXNPFEDSA-N 1 0 334.376 2.421 20 5 EEBDRO C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000237685750 464363172 /nfs/dbraw/zinc/36/31/72/464363172.db2.gz GIHVMCJJNJBETD-XJKSGUPXSA-N 1 0 334.420 2.373 20 5 EEBDRO C[C@H]1CCC[C@](CNC(=O)c2c(N)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000180691284 464371306 /nfs/dbraw/zinc/37/13/06/464371306.db2.gz DRRCPFZFXVLGCQ-SJCJKPOMSA-N 1 0 334.420 2.417 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c([N+](=O)[O-])c1 ZINC000237738787 464371788 /nfs/dbraw/zinc/37/17/88/464371788.db2.gz DASVZOZZWMIFED-UHFFFAOYSA-N 1 0 341.433 2.233 20 5 EEBDRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000237845183 464389038 /nfs/dbraw/zinc/38/90/38/464389038.db2.gz YJPVDONGIFKPJP-UHFFFAOYSA-N 1 0 347.824 2.188 20 5 EEBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+](C)C ZINC000271977573 464434305 /nfs/dbraw/zinc/43/43/05/464434305.db2.gz DFEMKTBCAWDMGD-GXTWGEPZSA-N 1 0 336.417 2.213 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181978194 464543323 /nfs/dbraw/zinc/54/33/23/464543323.db2.gz WWHMSNWKFYPKDO-LBPRGKRZSA-N 1 0 326.418 2.162 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246248129 464563489 /nfs/dbraw/zinc/56/34/89/464563489.db2.gz VZCVHPMKPHMTJS-GJZGRUSLSA-N 1 0 348.447 2.268 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182114130 464573477 /nfs/dbraw/zinc/57/34/77/464573477.db2.gz JACUPJIYVOTEFB-CVEARBPZSA-N 1 0 335.404 2.042 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000281814533 464594463 /nfs/dbraw/zinc/59/44/63/464594463.db2.gz WHQPCJVEPRIQLN-GOSISDBHSA-N 1 0 344.367 2.234 20 5 EEBDRO C[C@H](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000182243235 464608931 /nfs/dbraw/zinc/60/89/31/464608931.db2.gz GSSUCXNDAKFCDC-GFCCVEGCSA-N 1 0 345.403 2.465 20 5 EEBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182287122 464620185 /nfs/dbraw/zinc/62/01/85/464620185.db2.gz IJIYPPHVUVEKAD-HIFRSBDPSA-N 1 0 331.372 2.423 20 5 EEBDRO COC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000294934589 464652934 /nfs/dbraw/zinc/65/29/34/464652934.db2.gz KYYGFOQASWMWGT-SFHVURJKSA-N 1 0 347.415 2.232 20 5 EEBDRO CC1(C)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000190560159 464676550 /nfs/dbraw/zinc/67/65/50/464676550.db2.gz SKHLGWBYRAQLCO-ZDUSSCGKSA-N 1 0 338.404 2.224 20 5 EEBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCO[C@@H]21 ZINC000265971538 464754821 /nfs/dbraw/zinc/75/48/21/464754821.db2.gz KXMQZLHUOXRRSU-IMJJTQAJSA-N 1 0 334.372 2.364 20 5 EEBDRO Cn1cc([C@H]2CSCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000191201412 464796347 /nfs/dbraw/zinc/79/63/47/464796347.db2.gz NQAXASXXNAOYJG-CVEARBPZSA-N 1 0 348.428 2.152 20 5 EEBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000599962252 468424265 /nfs/dbraw/zinc/42/42/65/468424265.db2.gz NMQWYPUSXJUEGE-VIFPVBQESA-N 1 0 344.209 2.285 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN1CCOC(C)(C)C1 ZINC000286151060 464820505 /nfs/dbraw/zinc/82/05/05/464820505.db2.gz ANKSKKROSWMADN-UHFFFAOYSA-N 1 0 335.404 2.344 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183468466 464867962 /nfs/dbraw/zinc/86/79/62/464867962.db2.gz RXPWVNLQSXJNFR-DUVNUKRYSA-N 1 0 335.404 2.190 20 5 EEBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183761757 464906765 /nfs/dbraw/zinc/90/67/65/464906765.db2.gz HETAEXJVLAOYBC-KRWDZBQOSA-N 1 0 343.431 2.388 20 5 EEBDRO CC[N@H+](CCO)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000184001065 464936871 /nfs/dbraw/zinc/93/68/71/464936871.db2.gz TVYNPCDMTJNXSP-UHFFFAOYSA-N 1 0 337.423 2.432 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000276451374 464937140 /nfs/dbraw/zinc/93/71/40/464937140.db2.gz MRHDKQXYAVBCAI-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO C[N@H+](CCCO)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286504352 464942029 /nfs/dbraw/zinc/94/20/29/464942029.db2.gz RLYQSDBQHSXRTM-UHFFFAOYSA-N 1 0 343.374 2.152 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286606232 464975957 /nfs/dbraw/zinc/97/59/57/464975957.db2.gz RISSATXPSDPGEB-BOOVAVIHSA-N 1 0 333.344 2.358 20 5 EEBDRO Cn1ccnc1[C@@H]1N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821156 464975960 /nfs/dbraw/zinc/97/59/60/464975960.db2.gz GKYKJBMDFJCKOH-GJZGRUSLSA-N 1 0 330.388 2.445 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261465 464996200 /nfs/dbraw/zinc/99/62/00/464996200.db2.gz ZIGPOUILBKPTBQ-BDJLRTHQSA-N 1 0 344.415 2.382 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286730779 465016902 /nfs/dbraw/zinc/01/69/02/465016902.db2.gz BORHHSUILNZFDR-NSHDSACASA-N 1 0 327.356 2.155 20 5 EEBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)[NH+]1C ZINC000339629800 465400831 /nfs/dbraw/zinc/40/08/31/465400831.db2.gz SBVWTDKJYBYNMA-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342939563 465402340 /nfs/dbraw/zinc/40/23/40/465402340.db2.gz PLFRIBDSHOGEMS-UHFFFAOYSA-N 1 0 348.322 2.909 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000554641044 468435341 /nfs/dbraw/zinc/43/53/41/468435341.db2.gz FNCRWOULHWLTJR-CZUORRHYSA-N 1 0 342.399 2.326 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000356747470 465517823 /nfs/dbraw/zinc/51/78/23/465517823.db2.gz RQZQJLFQWZPBCI-UHFFFAOYSA-N 1 0 343.387 2.217 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000356750007 465519302 /nfs/dbraw/zinc/51/93/02/465519302.db2.gz ZFZFJLCBPCNHFM-ZDUSSCGKSA-N 1 0 345.403 2.239 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299078797 465590335 /nfs/dbraw/zinc/59/03/35/465590335.db2.gz IREDOTNTEBHKCG-UONOGXRCSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519821 465648546 /nfs/dbraw/zinc/64/85/46/465648546.db2.gz GCTFGLMHVGUDJW-CMPLNLGQSA-N 1 0 329.303 2.283 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330602352 465726880 /nfs/dbraw/zinc/72/68/80/465726880.db2.gz WMGCVQPAINMGLN-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000330615629 465732684 /nfs/dbraw/zinc/73/26/84/465732684.db2.gz UUBMJSKVTYDZCC-MNOVXSKESA-N 1 0 325.796 2.342 20 5 EEBDRO CN(C(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348697248 465746687 /nfs/dbraw/zinc/74/66/87/465746687.db2.gz HXULPMPDHNJYKJ-SFHVURJKSA-N 1 0 349.431 2.479 20 5 EEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362527175 465805955 /nfs/dbraw/zinc/80/59/55/465805955.db2.gz YSLQVMRVXFWNNN-LSDHHAIUSA-N 1 0 344.795 2.158 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371517243 465852160 /nfs/dbraw/zinc/85/21/60/465852160.db2.gz NMSXETMXBHEUBR-ZIAGYGMSSA-N 1 0 332.404 2.092 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357228909 465874662 /nfs/dbraw/zinc/87/46/62/465874662.db2.gz ZCBYIVSJOYXIBA-LBPRGKRZSA-N 1 0 335.408 2.155 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCCC[C@H]1CO ZINC000594016743 468461581 /nfs/dbraw/zinc/46/15/81/468461581.db2.gz HATVGQCYCRYXIZ-AWEZNQCLSA-N 1 0 349.387 2.130 20 5 EEBDRO COc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000301618185 465997354 /nfs/dbraw/zinc/99/73/54/465997354.db2.gz KWNWZTLKDVQBCV-GFCCVEGCSA-N 1 0 341.383 2.247 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC000349204791 466019321 /nfs/dbraw/zinc/01/93/21/466019321.db2.gz YCFQOAAMDWATLA-NSHDSACASA-N 1 0 344.371 2.338 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000361526680 466074650 /nfs/dbraw/zinc/07/46/50/466074650.db2.gz SQIIDTVFUWPTQE-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO O=C(c1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591439804 468470440 /nfs/dbraw/zinc/47/04/40/468470440.db2.gz YDQJCJAKNDTVGR-CJNGLKHVSA-N 1 0 344.415 2.019 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000591444694 468471447 /nfs/dbraw/zinc/47/14/47/468471447.db2.gz FRAQKVGMOQLTPG-QWRGUYRKSA-N 1 0 333.417 2.425 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](C[NH+]3CCOCC3)C1)CCN2 ZINC000302459025 466142790 /nfs/dbraw/zinc/14/27/90/466142790.db2.gz RAOYDIQTTDTBHK-CQSZACIVSA-N 1 0 346.431 2.111 20 5 EEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1CCO ZINC000302564629 466155040 /nfs/dbraw/zinc/15/50/40/466155040.db2.gz VSYMCGVSWFOBRQ-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC000349721538 466205386 /nfs/dbraw/zinc/20/53/86/466205386.db2.gz LDHRBSBMSGLLHM-QWHCGFSZSA-N 1 0 344.419 2.309 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000304291966 466278171 /nfs/dbraw/zinc/27/81/71/466278171.db2.gz GQJJVROSHRJCKP-FZKQIMNGSA-N 1 0 344.415 2.382 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000331978963 466331676 /nfs/dbraw/zinc/33/16/76/466331676.db2.gz DZQPSPZHLOWXMU-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000363354117 466363629 /nfs/dbraw/zinc/36/36/29/466363629.db2.gz XQQYARFBKCPXRB-CQSZACIVSA-N 1 0 330.392 2.071 20 5 EEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357992390 466371182 /nfs/dbraw/zinc/37/11/82/466371182.db2.gz VAHWPCOLLAQPSM-CHWSQXEVSA-N 1 0 334.420 2.316 20 5 EEBDRO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332127623 466401100 /nfs/dbraw/zinc/40/11/00/466401100.db2.gz NISNSEMRZLKHNU-HUUCEWRRSA-N 1 0 347.415 2.168 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000305460158 466410276 /nfs/dbraw/zinc/41/02/76/466410276.db2.gz VGYGZXOXCSXRPA-LRDDRELGSA-N 1 0 335.404 2.325 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347265762 466522561 /nfs/dbraw/zinc/52/25/61/466522561.db2.gz BOEOSGCKEAVHGL-GJZGRUSLSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358187728 466524296 /nfs/dbraw/zinc/52/42/96/466524296.db2.gz ZWSUTXSGHGZIQD-BLLLJJGKSA-N 1 0 333.388 2.025 20 5 EEBDRO COCCNC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000347279442 466530690 /nfs/dbraw/zinc/53/06/90/466530690.db2.gz WRVZWFFGDLCBSC-CZUORRHYSA-N 1 0 337.420 2.423 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354432897 466564122 /nfs/dbraw/zinc/56/41/22/466564122.db2.gz CGFYQFXNVTZURQ-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000591668930 468499950 /nfs/dbraw/zinc/49/99/50/468499950.db2.gz KFFPAKOBCJHRCQ-CQSZACIVSA-N 1 0 341.358 2.279 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1C ZINC000320561353 466611941 /nfs/dbraw/zinc/61/19/41/466611941.db2.gz VOHRKRSLARSYFX-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cccn1C1CC[NH2+]CC1 ZINC000324886528 466651009 /nfs/dbraw/zinc/65/10/09/466651009.db2.gz LKYXSIUMPKFKNS-UHFFFAOYSA-N 1 0 328.372 2.251 20 5 EEBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423223110 466699125 /nfs/dbraw/zinc/69/91/25/466699125.db2.gz DVTPLBUKLBAVKA-SUMWQHHRSA-N 1 0 347.415 2.353 20 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331.294 2.311 20 5 EEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH2+]CC1 ZINC000567883600 468230867 /nfs/dbraw/zinc/23/08/67/468230867.db2.gz BMMJJLPSPPZWGO-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000496445419 468252937 /nfs/dbraw/zinc/25/29/37/468252937.db2.gz ZLMLRVVUHOEHKQ-LBPRGKRZSA-N 1 0 334.376 2.353 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594201013 468510752 /nfs/dbraw/zinc/51/07/52/468510752.db2.gz MOTKSTSFMQSKMI-GDBMZVCRSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000591729065 468511591 /nfs/dbraw/zinc/51/15/91/468511591.db2.gz FZHDSNPAJCYREK-GOEBONIOSA-N 1 0 328.368 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000591729075 468511777 /nfs/dbraw/zinc/51/17/77/468511777.db2.gz HHGOISQCSULCQH-AWEZNQCLSA-N 1 0 346.408 2.298 20 5 EEBDRO 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ZINC000592217932 468658373 /nfs/dbraw/zinc/65/83/73/468658373.db2.gz ZQISHCZESCLLAO-GOSISDBHSA-N 1 0 337.379 2.367 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253406 468665499 /nfs/dbraw/zinc/66/54/99/468665499.db2.gz FGIKRAYGASBRRW-KBPBESRZSA-N 1 0 347.415 2.455 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(F)c2OC(F)F)c1 ZINC000594930242 468724965 /nfs/dbraw/zinc/72/49/65/468724965.db2.gz DATNFFFUUBUQKN-UHFFFAOYSA-N 1 0 330.266 2.322 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592543528 468727375 /nfs/dbraw/zinc/72/73/75/468727375.db2.gz FRJRTFWVEUUXHR-CMPLNLGQSA-N 1 0 341.795 2.274 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2ccnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601156588 468764449 /nfs/dbraw/zinc/76/44/49/468764449.db2.gz ZCKADVNBASHFAQ-CQSZACIVSA-N 1 0 344.415 2.478 20 5 EEBDRO CC(C)[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601156194 468764494 /nfs/dbraw/zinc/76/44/94/468764494.db2.gz SXAQFGWJKNTGQK-SECBINFHSA-N 1 0 335.330 2.124 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595219936 468787307 /nfs/dbraw/zinc/78/73/07/468787307.db2.gz CLXLSARXXQFYHM-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219377 468796896 /nfs/dbraw/zinc/79/68/96/468796896.db2.gz LBNDTCQUYRGJJC-AWEZNQCLSA-N 1 0 347.415 2.497 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000601281365 468809297 /nfs/dbraw/zinc/80/92/97/468809297.db2.gz NPDJNCKILKTTHS-CYBMUJFWSA-N 1 0 345.403 2.152 20 5 EEBDRO O=C1COc2ccc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000560475163 468814937 /nfs/dbraw/zinc/81/49/37/468814937.db2.gz NTEMNAGQTMNBDE-UHFFFAOYSA-N 1 0 343.339 2.094 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595370922 468828475 /nfs/dbraw/zinc/82/84/75/468828475.db2.gz LYVOFKNYPCWNOZ-XHSDSOJGSA-N 1 0 347.463 2.454 20 5 EEBDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000561228267 468879073 /nfs/dbraw/zinc/87/90/73/468879073.db2.gz OOAQVVKPFYVJDR-ZUCKAHLUSA-N 1 0 348.378 2.205 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505223 468881075 /nfs/dbraw/zinc/88/10/75/468881075.db2.gz QVTGRHIJCAHYCJ-KDOFPFPSSA-N 1 0 346.431 2.340 20 5 EEBDRO COC(=O)c1ccnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598627959 468937647 /nfs/dbraw/zinc/93/76/47/468937647.db2.gz XKOCFFCFNVHPEN-LBPRGKRZSA-N 1 0 348.403 2.087 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C1CCCC1 ZINC000584869210 468952190 /nfs/dbraw/zinc/95/21/90/468952190.db2.gz WOTBCSTYBDZFHE-LRDDRELGSA-N 1 0 335.404 2.453 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680825 468957949 /nfs/dbraw/zinc/95/79/49/468957949.db2.gz DRFANFHOLXZVPU-DYVFJYSZSA-N 1 0 332.404 2.045 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562477086 468965004 /nfs/dbraw/zinc/96/50/04/468965004.db2.gz BPPYCZOYXQIDDN-IVMMDQJWSA-N 1 0 332.404 2.090 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH2+]C1CC1 ZINC000572764590 468988418 /nfs/dbraw/zinc/98/84/18/468988418.db2.gz BZUMBPKIYWRVEN-JTQLQIEISA-N 1 0 341.795 2.274 20 5 EEBDRO CS(=O)(=O)c1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602688543 469011582 /nfs/dbraw/zinc/01/15/82/469011582.db2.gz BYNLCFVOHIATQV-UHFFFAOYSA-N 1 0 334.397 2.331 20 5 EEBDRO C[C@@H](CC1CCC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610805601 469075993 /nfs/dbraw/zinc/07/59/93/469075993.db2.gz VVDHCGYGOGIQAH-LBPRGKRZSA-N 1 0 341.433 2.041 20 5 EEBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602794319 469079536 /nfs/dbraw/zinc/07/95/36/469079536.db2.gz VIQHTVBGUBCCJP-LRDDRELGSA-N 1 0 346.387 2.240 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595936057 469092204 /nfs/dbraw/zinc/09/22/04/469092204.db2.gz MLLVBUMAYQOECB-MRXNPFEDSA-N 1 0 331.416 2.376 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599040604 469095593 /nfs/dbraw/zinc/09/55/93/469095593.db2.gz LMIUSVPTHFANIW-CQSZACIVSA-N 1 0 334.420 2.434 20 5 EEBDRO C[C@@]1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]C1 ZINC000595991789 469109011 /nfs/dbraw/zinc/10/90/11/469109011.db2.gz KQSGEKUTTDPOMR-OAHLLOKOSA-N 1 0 332.385 2.200 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599156411 469140991 /nfs/dbraw/zinc/14/09/91/469140991.db2.gz BPTCLXXJPIRLSS-CQSZACIVSA-N 1 0 334.420 2.468 20 5 EEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c(OC(F)F)c1 ZINC000596088094 469149101 /nfs/dbraw/zinc/14/91/01/469149101.db2.gz WDWKZMHHOAMBSZ-UHFFFAOYSA-N 1 0 345.346 2.455 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611091839 469160147 /nfs/dbraw/zinc/16/01/47/469160147.db2.gz ZERORRWNNXRTRK-LLVKDONJSA-N 1 0 340.811 2.213 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)c1 ZINC000596112616 469160290 /nfs/dbraw/zinc/16/02/90/469160290.db2.gz CAZIMABNQBNOIS-UHFFFAOYSA-N 1 0 349.778 2.373 20 5 EEBDRO CSC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602920004 469165206 /nfs/dbraw/zinc/16/52/06/469165206.db2.gz PMVRQQNVYCKISL-CYBMUJFWSA-N 1 0 326.418 2.162 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596170240 469184595 /nfs/dbraw/zinc/18/45/95/469184595.db2.gz OQHAOOWLMNHZGZ-ZDUSSCGKSA-N 1 0 334.420 2.474 20 5 EEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596172381 469185593 /nfs/dbraw/zinc/18/55/93/469185593.db2.gz VZDXFQAGCKKQAB-GFCCVEGCSA-N 1 0 342.403 2.605 20 5 EEBDRO CC[N@@H+]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596268608 469226809 /nfs/dbraw/zinc/22/68/09/469226809.db2.gz KKBARKAUQFKTRA-GFCCVEGCSA-N 1 0 336.392 2.005 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000611404323 469242086 /nfs/dbraw/zinc/24/20/86/469242086.db2.gz TVGOKVNYTXGUDJ-CHWSQXEVSA-N 1 0 326.418 2.379 20 5 EEBDRO C[NH+](C)CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599474349 469269624 /nfs/dbraw/zinc/26/96/24/469269624.db2.gz PETQOMRSHRQYET-UHFFFAOYSA-N 1 0 344.209 2.429 20 5 EEBDRO CNC(=O)c1ccc(N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488141 469282342 /nfs/dbraw/zinc/28/23/42/469282342.db2.gz MNYVJBNXTSSDOW-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596570400 469303109 /nfs/dbraw/zinc/30/31/09/469303109.db2.gz JWHJKNNTHDDURM-ZDUSSCGKSA-N 1 0 348.403 2.310 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599630365 469316308 /nfs/dbraw/zinc/31/63/08/469316308.db2.gz QXLPGOCKQYDNSA-PBHICJAKSA-N 1 0 345.355 2.324 20 5 EEBDRO CCN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602529035 469350535 /nfs/dbraw/zinc/35/05/35/469350535.db2.gz SHWVTRXOMFWLLJ-UHFFFAOYSA-N 1 0 333.436 2.033 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000602584278 469371611 /nfs/dbraw/zinc/37/16/11/469371611.db2.gz ZBBXIDMQYVOYCE-OAHLLOKOSA-N 1 0 347.415 2.134 20 5 EEBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2ccccc2c2cccnc12 ZINC000629174385 469459099 /nfs/dbraw/zinc/45/90/99/469459099.db2.gz ACOQUNZZIPFREJ-OAHLLOKOSA-N 1 0 335.407 2.184 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386307 469924669 /nfs/dbraw/zinc/92/46/69/469924669.db2.gz ONQSWEDLFHBBLL-UONOGXRCSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610422041 470013580 /nfs/dbraw/zinc/01/35/80/470013580.db2.gz PTRADACYLAAYNY-BFQNTYOBSA-N 1 0 343.387 2.173 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000600824779 485629468 /nfs/dbraw/zinc/62/94/68/485629468.db2.gz PFJVZRJKDQSAIC-UHFFFAOYSA-N 1 0 331.294 2.486 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602540607 485642873 /nfs/dbraw/zinc/64/28/73/485642873.db2.gz LKEDNDRMBQGQCL-NEPJUHHUSA-N 1 0 345.321 2.123 20 5 EEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000564722068 490634428 /nfs/dbraw/zinc/63/44/28/490634428.db2.gz NBOVPHHBGYJBAY-CQSZACIVSA-N 1 0 343.387 2.043 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C ZINC000183410573 533946102 /nfs/dbraw/zinc/94/61/02/533946102.db2.gz BWFJZZPDHTXHNE-MNOVXSKESA-N 1 0 331.376 2.315 20 5 EEBDRO Cc1ccnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000132843533 534401659 /nfs/dbraw/zinc/40/16/59/534401659.db2.gz XSTSMXSIVXEFNY-LSDHHAIUSA-N 1 0 334.420 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)nc1 ZINC000193072268 534882591 /nfs/dbraw/zinc/88/25/91/534882591.db2.gz NLMPAQYFMFGHTM-CZUORRHYSA-N 1 0 336.392 2.019 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189797596 528072572 /nfs/dbraw/zinc/07/25/72/528072572.db2.gz CPQQOIPHYBTIQU-AWEZNQCLSA-N 1 0 348.447 2.084 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000162793714 528817744 /nfs/dbraw/zinc/81/77/44/528817744.db2.gz DBHAHJJNSHSGOS-AWEZNQCLSA-N 1 0 334.420 2.442 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420462245 528949573 /nfs/dbraw/zinc/94/95/73/528949573.db2.gz SNKZAJFDPUXZSQ-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236809111 534937643 /nfs/dbraw/zinc/93/76/43/534937643.db2.gz GXBYZXDJPFWAOW-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000775029279 577426962 /nfs/dbraw/zinc/42/69/62/577426962.db2.gz ZPCPGAPOMDJUOX-MRXNPFEDSA-N 1 0 344.367 2.498 20 5 EEBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000777004431 577470912 /nfs/dbraw/zinc/47/09/12/577470912.db2.gz ACDBGWGSDBMTDC-CABZTGNLSA-N 1 0 349.309 2.479 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764965893 577491933 /nfs/dbraw/zinc/49/19/33/577491933.db2.gz ZPOJZAVQWFVGBJ-CYBMUJFWSA-N 1 0 345.403 2.188 20 5 EEBDRO CCCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000765405595 577500369 /nfs/dbraw/zinc/50/03/69/577500369.db2.gz YFWNUWFYXUJCHC-CYBMUJFWSA-N 1 0 343.449 2.432 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000768843901 577563854 /nfs/dbraw/zinc/56/38/54/577563854.db2.gz XWYGQUDGXOLIDA-QWRGUYRKSA-N 1 0 347.462 2.150 20 5 EEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760890539 577671447 /nfs/dbraw/zinc/67/14/47/577671447.db2.gz XSZVVJUUVKBXAL-ROUUACIJSA-N 1 0 349.431 2.347 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000742834232 577877143 /nfs/dbraw/zinc/87/71/43/577877143.db2.gz OJTRAYRLBHOSNX-INIZCTEOSA-N 1 0 347.415 2.276 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC4(C3)CCOCC4)n2)cc1 ZINC000743406349 577884842 /nfs/dbraw/zinc/88/48/42/577884842.db2.gz VEBNNIBDAYTFGC-UHFFFAOYSA-N 1 0 343.387 2.313 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccccc1 ZINC000746287717 577925377 /nfs/dbraw/zinc/92/53/77/577925377.db2.gz WIEMYZRMENLCCA-OAHLLOKOSA-N 1 0 342.399 2.080 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)cc1OC(F)F ZINC000750182717 577988533 /nfs/dbraw/zinc/98/85/33/577988533.db2.gz XJLMTZVDMSQEHQ-UHFFFAOYSA-N 1 0 345.346 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000121216575 676301863 /nfs/dbraw/zinc/30/18/63/676301863.db2.gz FNOSJHUPSUBKCJ-SFHVURJKSA-N 1 0 349.431 2.349 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1C ZINC001021827280 676510681 /nfs/dbraw/zinc/51/06/81/676510681.db2.gz HFNNAVLNWTXPBZ-BETUJISGSA-N 1 0 348.428 2.354 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1F ZINC001021922183 676549665 /nfs/dbraw/zinc/54/96/65/676549665.db2.gz POJPKGVRBCTCJZ-BETUJISGSA-N 1 0 344.346 2.180 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022049269 676617496 /nfs/dbraw/zinc/61/74/96/676617496.db2.gz XPPBLXHVXSNKLW-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1c(CNC(=O)N2CC[NH2+]CCC23CCC3)cccc1[N+](=O)[O-] ZINC000891848376 676862288 /nfs/dbraw/zinc/86/22/88/676862288.db2.gz FCDZAWGNFLHXRW-UHFFFAOYSA-N 1 0 332.404 2.331 20 5 EEBDRO Cn1c2ccccc2c(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1=O ZINC000891884405 676884946 /nfs/dbraw/zinc/88/49/46/676884946.db2.gz VOKWBBKECIHUBQ-UHFFFAOYSA-N 1 0 344.415 2.225 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000934398454 678334741 /nfs/dbraw/zinc/33/47/41/678334741.db2.gz ZKRZYDMVEXFTMW-DTJGQCLQSA-N 1 0 329.400 2.440 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001022882345 678712404 /nfs/dbraw/zinc/71/24/04/678712404.db2.gz JDTFSBGLADCFNG-BETUJISGSA-N 1 0 345.355 2.247 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179547481 679935973 /nfs/dbraw/zinc/93/59/73/679935973.db2.gz NYVAFHXYBPKULW-ZDUSSCGKSA-N 1 0 346.387 2.295 20 5 EEBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000179548694 679943970 /nfs/dbraw/zinc/94/39/70/679943970.db2.gz AHUFDRKDJKKOLG-MRXNPFEDSA-N 1 0 332.360 2.095 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC000983005541 681644346 /nfs/dbraw/zinc/64/43/46/681644346.db2.gz CAZQZEWTMQVERJ-SAZUREKKSA-N 1 0 340.383 2.288 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000180936251 682121148 /nfs/dbraw/zinc/12/11/48/682121148.db2.gz ZDMGZUUVFLVHTE-UHFFFAOYSA-N 1 0 338.427 2.192 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000894445544 682897843 /nfs/dbraw/zinc/89/78/43/682897843.db2.gz OUKPHWGKWUSXSN-TZMCWYRMSA-N 1 0 335.404 2.368 20 5 EEBDRO CN(c1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892768111 683020791 /nfs/dbraw/zinc/02/07/91/683020791.db2.gz OWKCVXGMPSPFIJ-HNNXBMFYSA-N 1 0 329.404 2.429 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1ccoc1 ZINC001025679620 683234907 /nfs/dbraw/zinc/23/49/07/683234907.db2.gz NTMWACJOHAJMKZ-ZSHCYNCHSA-N 1 0 327.340 2.048 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000119661838 683572191 /nfs/dbraw/zinc/57/21/91/683572191.db2.gz KTAMHKPSHYWJSG-NSHDSACASA-N 1 0 347.462 2.055 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001026145751 683914367 /nfs/dbraw/zinc/91/43/67/683914367.db2.gz DCKVYKZMHURHCH-FVQHAEBGSA-N 1 0 340.383 2.092 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1 ZINC001029303527 683934855 /nfs/dbraw/zinc/93/48/55/683934855.db2.gz QOCJLAMFKQXUMZ-UURLNISCSA-N 1 0 341.411 2.040 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001059649945 687713396 /nfs/dbraw/zinc/71/33/96/687713396.db2.gz SWAMARFTZLTGJL-OKILXGFUSA-N 1 0 332.404 2.058 20 5 EEBDRO O=C(c1ccccn1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989852412 692387765 /nfs/dbraw/zinc/38/77/65/692387765.db2.gz CDTMJEXDULHOOW-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000990086090 692635854 /nfs/dbraw/zinc/63/58/54/692635854.db2.gz YKIWHECBHGQFJZ-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905220647 694575469 /nfs/dbraw/zinc/57/54/69/694575469.db2.gz UABUZSOCUWTUGJ-UHFFFAOYSA-N 1 0 345.321 2.176 20 5 EEBDRO COc1c(O)ccc(C[NH2+]CCOC2CCSCC2)c1[N+](=O)[O-] ZINC000898441100 693320761 /nfs/dbraw/zinc/32/07/61/693320761.db2.gz LOGLUSCZDFCWAQ-UHFFFAOYSA-N 1 0 342.417 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000905564806 1189778924 /nfs/dbraw/zinc/77/89/24/1189778924.db2.gz OCBVYKHCYQTUTA-KBPBESRZSA-N 1 0 347.337 2.245 20 5 EEBDRO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001005382893 1195316781 /nfs/dbraw/zinc/31/67/81/1195316781.db2.gz RJUVLWLXTQZCNT-HUUCEWRRSA-N 1 0 337.445 2.145 20 5 EEBDRO O=c1[nH]ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000866001243 1198450921 /nfs/dbraw/zinc/45/09/21/1198450921.db2.gz ZPDHFMATUPFSKD-UHFFFAOYSA-N 1 0 326.356 2.018 20 5 EEBDRO Cc1c(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000873055794 1198486198 /nfs/dbraw/zinc/48/61/98/1198486198.db2.gz MTUMCKWQVDVXEL-OAHLLOKOSA-N 1 0 333.432 2.494 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000874254380 1198838007 /nfs/dbraw/zinc/83/80/07/1198838007.db2.gz RLMWFWVTSSXUHE-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000809973820 1199168543 /nfs/dbraw/zinc/16/85/43/1199168543.db2.gz BEKCCEGDWOPREV-CYBMUJFWSA-N 1 0 335.187 2.485 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cn1 ZINC000877038743 1199850913 /nfs/dbraw/zinc/85/09/13/1199850913.db2.gz XBKAIDONYLVSCA-UHFFFAOYSA-N 1 0 343.387 2.022 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866304855 1201489223 /nfs/dbraw/zinc/48/92/23/1201489223.db2.gz AGGMIIBMSBZCAD-BXUZGUMPSA-N 1 0 338.383 2.058 20 5 EEBDRO COc1ccc(C[N@H+](CCO)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000880570632 1201525982 /nfs/dbraw/zinc/52/59/82/1201525982.db2.gz XEQBAESMQUWZPH-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000881470736 1201705215 /nfs/dbraw/zinc/70/52/15/1201705215.db2.gz ZMQQCACMCMKWGU-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000869210500 1201965144 /nfs/dbraw/zinc/96/51/44/1201965144.db2.gz SGDBEWNHUSJSHW-CABCVRRESA-N 1 0 335.379 2.410 20 5 EEBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886194056 1202480259 /nfs/dbraw/zinc/48/02/59/1202480259.db2.gz ICHGACIEURVXOC-XJKSGUPXSA-N 1 0 343.383 2.500 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933433526 1207770685 /nfs/dbraw/zinc/77/06/85/1207770685.db2.gz FCHKAEKWZNTPOE-ZCPGHIKRSA-N 1 0 331.416 2.497 20 5 EEBDRO C[C@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703288 1207820374 /nfs/dbraw/zinc/82/03/74/1207820374.db2.gz DFSPNVKDTCCJOX-IPXJXJKCSA-N 1 0 344.411 2.479 20 5 EEBDRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000195157542 1211329051 /nfs/dbraw/zinc/32/90/51/1211329051.db2.gz ZHXLHVSWWXFQAM-UHFFFAOYSA-N 1 0 349.387 2.008 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000084935745 1211585151 /nfs/dbraw/zinc/58/51/51/1211585151.db2.gz VKPVJGFVBRQYDM-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO CC[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000245860492 1211978290 /nfs/dbraw/zinc/97/82/90/1211978290.db2.gz IBPUEXNIFVFTCU-PXAZEXFGSA-N 1 0 346.387 2.051 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001114798167 1215317884 /nfs/dbraw/zinc/31/78/84/1215317884.db2.gz VHYHTCBKPMOQTH-JOCQHMNTSA-N 1 0 349.435 2.027 20 5 EEBDRO C[N@H+](CCCNC(=O)C(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000801601904 1235896103 /nfs/dbraw/zinc/89/61/03/1235896103.db2.gz RDBZOSUXQQJZQG-UHFFFAOYSA-N 1 0 333.310 2.138 20 5 EEBDRO O=C(c1ccc[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048677636 1238268388 /nfs/dbraw/zinc/26/83/88/1238268388.db2.gz RKJLZKDJOXTPFA-GASCZTMLSA-N 1 0 340.383 2.127 20 5 EEBDRO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001096903470 1243449174 /nfs/dbraw/zinc/44/91/74/1243449174.db2.gz FZDQZEJGGIWJDP-IYBDPMFKSA-N 1 0 346.431 2.035 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097029952 1243638111 /nfs/dbraw/zinc/63/81/11/1243638111.db2.gz MZPSZXGHDYCHNN-SHTZXODSSA-N 1 0 334.420 2.304 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC001101370053 1245727875 /nfs/dbraw/zinc/72/78/75/1245727875.db2.gz CCGGSTGMFCWTEG-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CCN(CCNC(=O)C12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001100763742 1259230728 /nfs/dbraw/zinc/23/07/28/1259230728.db2.gz PNTSUHXCAGHNAC-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000104413474 1285123284 /nfs/dbraw/zinc/12/32/84/1285123284.db2.gz HLZWRTKLVDVTLX-GFCCVEGCSA-N 1 0 339.367 2.055 20 5 EEBDRO CCCOCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199650520 1285754214 /nfs/dbraw/zinc/75/42/14/1285754214.db2.gz QPNNGCQRHSAATB-UHFFFAOYSA-N 1 0 341.433 2.164 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000858996519 1294288753 /nfs/dbraw/zinc/28/87/53/1294288753.db2.gz IGMGKCSTYMBHRF-UHFFFAOYSA-N 1 0 337.332 2.454 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000931345960 1297150519 /nfs/dbraw/zinc/15/05/19/1297150519.db2.gz ZAYCRVMDHJFZTI-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO C[NH+]1CCN(CCO[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001224548642 1300642810 /nfs/dbraw/zinc/64/28/10/1300642810.db2.gz DVLIKTXRJCVZJC-CQSZACIVSA-N 1 0 347.337 2.462 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(F)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001225385492 1300982396 /nfs/dbraw/zinc/98/23/96/1300982396.db2.gz SOHXVBZGULLQGT-GDJRKYJOSA-N 1 0 338.335 2.280 20 5 EEBDRO CSCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001225917522 1301198954 /nfs/dbraw/zinc/19/89/54/1301198954.db2.gz KLPVHAMEVORILL-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1C(=O)c1ccccc1 ZINC001225978907 1301220640 /nfs/dbraw/zinc/22/06/40/1301220640.db2.gz PGIKYIAGDRLRJT-MRXNPFEDSA-N 1 0 342.415 2.280 20 5 EEBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C2 ZINC001226066199 1301250534 /nfs/dbraw/zinc/25/05/34/1301250534.db2.gz HJCPQHPCODQAOC-PJXYFTJBSA-N 1 0 340.401 2.002 20 5 EEBDRO O=[N+]([O-])c1nc(Br)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001227257356 1301752181 /nfs/dbraw/zinc/75/21/81/1301752181.db2.gz XAVHIYUFBTXBFN-JTQLQIEISA-N 1 0 328.166 2.225 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c4cccnc34)[C@H]1CC(=O)C2 ZINC001228136633 1302120717 /nfs/dbraw/zinc/12/07/17/1302120717.db2.gz WZYRZBVAVNJGNR-DRZCJDIDSA-N 1 0 327.340 2.326 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc4cccnc43)[C@H]1CC(=O)C2 ZINC001229344253 1302738050 /nfs/dbraw/zinc/73/80/50/1302738050.db2.gz UNCVKHNCHGBSFV-GLQYFDAESA-N 1 0 327.340 2.326 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001231230261 1303692937 /nfs/dbraw/zinc/69/29/37/1303692937.db2.gz ADHHFPGLVKVGNB-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231231848 1303693992 /nfs/dbraw/zinc/69/39/92/1303693992.db2.gz XORJWLVVXMCOJC-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CCC1 ZINC001111827795 1303956193 /nfs/dbraw/zinc/95/61/93/1303956193.db2.gz CQQNCGPERYIVNM-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1cc(N(C)C2CCN(C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001115153529 1304746097 /nfs/dbraw/zinc/74/60/97/1304746097.db2.gz JYGXRJJFMZDRBO-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO O=C(NCC1([NH2+]Cc2cccc(F)c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530522 1305285935 /nfs/dbraw/zinc/28/59/35/1305285935.db2.gz BKLQAEMYIWJXKD-HZPDHXFCSA-N 1 0 349.406 2.400 20 5 EEBDRO CCOCCC(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001235581035 1305287511 /nfs/dbraw/zinc/28/75/11/1305287511.db2.gz BGRNFBUVDZRENO-UHFFFAOYSA-N 1 0 329.422 2.021 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC001120557754 1309610519 /nfs/dbraw/zinc/61/05/19/1309610519.db2.gz AHNVDICPBMDCHU-ZBEGNZNMSA-N 1 0 344.371 2.470 20 5 EEBDRO N[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1F ZINC001246582134 1310348507 /nfs/dbraw/zinc/34/85/07/1310348507.db2.gz FXFCYIXHRLNEAB-IRXDYDNUSA-N 1 0 336.411 2.325 20 5 EEBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001123835572 1310723549 /nfs/dbraw/zinc/72/35/49/1310723549.db2.gz BXGMDWONOYPCIG-KBMXLJTQSA-N 1 0 331.416 2.374 20 5 EEBDRO [NH3+][C@@H](Cc1nc(-c2ccncc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248213499 1310864823 /nfs/dbraw/zinc/86/48/23/1310864823.db2.gz FDXJXUXQKZIIGW-CYBMUJFWSA-N 1 0 325.328 2.152 20 5 EEBDRO O=[N+]([O-])c1cccc(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001248331134 1310889233 /nfs/dbraw/zinc/88/92/33/1310889233.db2.gz UZFGMYKEASUQMW-UHFFFAOYSA-N 1 0 337.339 2.276 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c21 ZINC001160741004 1320254623 /nfs/dbraw/zinc/25/46/23/1320254623.db2.gz BUMGNPSRHXRUIY-IUCAKERBSA-N 1 0 341.293 2.490 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001161104734 1320384777 /nfs/dbraw/zinc/38/47/77/1320384777.db2.gz ZSBPGSLKSHEKIA-UHFFFAOYSA-N 1 0 343.387 2.008 20 5 EEBDRO COc1cnc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC001161104709 1320385286 /nfs/dbraw/zinc/38/52/86/1320385286.db2.gz ZBZNTKHYURZPNF-UHFFFAOYSA-N 1 0 343.387 2.470 20 5 EEBDRO CCCN(CC[NH+](CC)CC)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829390185 1314497748 /nfs/dbraw/zinc/49/77/48/1314497748.db2.gz ABKLWBGSJUQMTL-INIZCTEOSA-N 1 0 337.420 2.209 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839539820 1315213390 /nfs/dbraw/zinc/21/33/90/1315213390.db2.gz XWLSDYGIMNKEMX-LBTBCDHLSA-N 1 0 345.443 2.446 20 5 EEBDRO COC[C@]1(C)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000840107547 1315296371 /nfs/dbraw/zinc/29/63/71/1315296371.db2.gz ZKINGJPZFNNYFX-MRXNPFEDSA-N 1 0 331.376 2.169 20 5 EEBDRO CO[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1(C)C ZINC000840125420 1315303333 /nfs/dbraw/zinc/30/33/33/1315303333.db2.gz OYQQRCMANUYVIQ-AWEZNQCLSA-N 1 0 333.392 2.352 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841932718 1315640372 /nfs/dbraw/zinc/64/03/72/1315640372.db2.gz RQCTYSJEZUXSBS-UHFFFAOYSA-N 1 0 328.800 2.436 20 5 EEBDRO CC1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000842321195 1315686109 /nfs/dbraw/zinc/68/61/09/1315686109.db2.gz WIEFLKZVZKVAME-HZPDHXFCSA-N 1 0 332.400 2.497 20 5 EEBDRO O=c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000842666775 1315749917 /nfs/dbraw/zinc/74/99/17/1315749917.db2.gz GOKOMTQZCKSMLJ-SECBINFHSA-N 1 0 341.327 2.366 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000843090746 1315839272 /nfs/dbraw/zinc/83/92/72/1315839272.db2.gz WHQHRTHMQUDAQM-GJZGRUSLSA-N 1 0 338.310 2.230 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc(F)c1 ZINC000843104892 1315843111 /nfs/dbraw/zinc/84/31/11/1315843111.db2.gz RBABCXJIZFQYPT-YMRXKLBXSA-N 1 0 334.347 2.479 20 5 EEBDRO C[C@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843169850 1315857530 /nfs/dbraw/zinc/85/75/30/1315857530.db2.gz UQGUUEFRZINTIS-ZYHUDNBSSA-N 1 0 331.376 2.405 20 5 EEBDRO Cc1c(Cc2noc(C[C@H]3CSCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000843191363 1315863489 /nfs/dbraw/zinc/86/34/89/1315863489.db2.gz FRJDPXVJDRLWGV-LBPRGKRZSA-N 1 0 334.401 2.125 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843347759 1315895622 /nfs/dbraw/zinc/89/56/22/1315895622.db2.gz ZCBIGQBYTDVXGW-LLVKDONJSA-N 1 0 340.811 2.118 20 5 EEBDRO Cc1cccc(OCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001150879671 1316399262 /nfs/dbraw/zinc/39/92/62/1316399262.db2.gz FXMZJQQSHNLQKO-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO CC(C)c1ncncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151266436 1316492307 /nfs/dbraw/zinc/49/23/07/1316492307.db2.gz VLCMTHXPKSEHGT-UHFFFAOYSA-N 1 0 343.387 2.028 20 5 EEBDRO CCOCCCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153042714 1316766211 /nfs/dbraw/zinc/76/62/11/1316766211.db2.gz WMEVEBGTKWKYNY-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO O=C(CCc1ccco1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154546194 1317197628 /nfs/dbraw/zinc/19/76/28/1317197628.db2.gz ZCYHJLIBZHAGBB-UHFFFAOYSA-N 1 0 337.401 2.478 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)cnc2c1 ZINC001155591320 1317663424 /nfs/dbraw/zinc/66/34/24/1317663424.db2.gz HLDFJZLDHAXHDQ-PXAZEXFGSA-N 1 0 343.387 2.109 20 5 EEBDRO CC1(C)OC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC001254469113 1318081417 /nfs/dbraw/zinc/08/14/17/1318081417.db2.gz UXQCSLNFPPPGGV-MRXNPFEDSA-N 1 0 335.404 2.305 20 5 EEBDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475741 1318082568 /nfs/dbraw/zinc/08/25/68/1318082568.db2.gz JKCDFUAPTSDKID-CQSZACIVSA-N 1 0 347.415 2.449 20 5 EEBDRO CCC(=O)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254475226 1318083093 /nfs/dbraw/zinc/08/30/93/1318083093.db2.gz CNWWMDVDVOBUBI-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532060 1318111455 /nfs/dbraw/zinc/11/14/55/1318111455.db2.gz JJBBKTHTORMNRA-LLVKDONJSA-N 1 0 332.360 2.230 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577560 1318127575 /nfs/dbraw/zinc/12/75/75/1318127575.db2.gz FMQMVSSVSUGYHW-WBVHZDCISA-N 1 0 341.367 2.351 20 5 EEBDRO O=C(C1CCC1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584238 1318133151 /nfs/dbraw/zinc/13/31/51/1318133151.db2.gz GKVWYTCQVKBMLC-QGZVFWFLSA-N 1 0 343.427 2.443 20 5 EEBDRO COCC[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C)CC1 ZINC001254598050 1318139243 /nfs/dbraw/zinc/13/92/43/1318139243.db2.gz GXZYTQROCCJIJF-SFHVURJKSA-N 1 0 333.432 2.105 20 5 EEBDRO C[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C[C@H](C)[NH2+]1 ZINC001158185927 1319064336 /nfs/dbraw/zinc/06/43/36/1319064336.db2.gz OHNRLLTXAZOJHA-PHIMTYICSA-N 1 0 331.351 2.378 20 5 EEBDRO COc1cc(C)nc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001158749142 1319417831 /nfs/dbraw/zinc/41/78/31/1319417831.db2.gz ZGQRKKBCNBUKLZ-UHFFFAOYSA-N 1 0 327.344 2.147 20 5 EEBDRO Cc1cc(N2CC3(C2)C[NH+](C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158868556 1319478703 /nfs/dbraw/zinc/47/87/03/1319478703.db2.gz NTVNBXNSSMTZJT-UHFFFAOYSA-N 1 0 325.372 2.112 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1C=CC=CC=C1 ZINC001159026483 1319565226 /nfs/dbraw/zinc/56/52/26/1319565226.db2.gz HZQGBBAQAGTVBP-UHFFFAOYSA-N 1 0 327.384 2.489 20 5 EEBDRO COc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001159538153 1319866868 /nfs/dbraw/zinc/86/68/68/1319866868.db2.gz IPVFLXHHWAXRRK-UHFFFAOYSA-N 1 0 347.419 2.127 20 5 EEBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001160476369 1320172669 /nfs/dbraw/zinc/17/26/69/1320172669.db2.gz VCOSLOUDWHKCSP-XYYAHUGASA-N 1 0 348.407 2.079 20 5 EEBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3cc(N)c([N+](=O)[O-])cn3)C2)c1 ZINC001161193371 1320416001 /nfs/dbraw/zinc/41/60/01/1320416001.db2.gz WWVBSPDYBAYFNA-ZDUSSCGKSA-N 1 0 343.387 2.267 20 5 EEBDRO CC(C)Oc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161471431 1320510342 /nfs/dbraw/zinc/51/03/42/1320510342.db2.gz BJLOHYAVHDLZRS-AWEZNQCLSA-N 1 0 349.435 2.015 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC3CCN([C@H]4CC[NH2+]C4)CC3)c2c1 ZINC001161470747 1320510833 /nfs/dbraw/zinc/51/08/33/1320510833.db2.gz UQGNCCLTPIOKHS-INIZCTEOSA-N 1 0 341.415 2.381 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162325009 1320821458 /nfs/dbraw/zinc/82/14/58/1320821458.db2.gz LPMLNLDGDHPCLQ-PPRHIFSWSA-N 1 0 328.756 2.112 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1CCC1)CCc1ccccc1 ZINC001162810804 1320965276 /nfs/dbraw/zinc/96/52/76/1320965276.db2.gz QUAHDJOBZJEMNY-QZTJIDSGSA-N 1 0 345.443 2.113 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1C(F)(F)F ZINC001163100948 1321035801 /nfs/dbraw/zinc/03/58/01/1321035801.db2.gz ADGQTYMXADOOHW-ZDSQKVDBSA-N 1 0 331.294 2.260 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163282952 1321087351 /nfs/dbraw/zinc/08/73/51/1321087351.db2.gz CNZPDWYMWQGMCG-MEBBXXQBSA-N 1 0 349.416 2.170 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163285508 1321087948 /nfs/dbraw/zinc/08/79/48/1321087948.db2.gz VKFSZOPAUYXMMB-DYVFJYSZSA-N 1 0 335.404 2.482 20 5 EEBDRO COc1cccc([C@H](C[NH3+])Nc2nc(C)cc(OC)c2[N+](=O)[O-])c1 ZINC001163306378 1321092697 /nfs/dbraw/zinc/09/26/97/1321092697.db2.gz NSRSLYWNQNMYFZ-ZDUSSCGKSA-N 1 0 332.360 2.427 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)n2cnc3c2C[NH2+]CC3)c1 ZINC001164314050 1321347779 /nfs/dbraw/zinc/34/77/79/1321347779.db2.gz ZLORJLUARGEVJT-UHFFFAOYSA-N 1 0 329.694 2.083 20 5 EEBDRO [NH3+]CCONc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001164424308 1321375763 /nfs/dbraw/zinc/37/57/63/1321375763.db2.gz UMFPXEUMYZEJNB-UHFFFAOYSA-N 1 0 341.780 2.492 20 5 EEBDRO COc1cnc(N2CCC(C[NH3+])(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001164435606 1321377737 /nfs/dbraw/zinc/37/77/37/1321377737.db2.gz KFMMSFSCBIMIME-UHFFFAOYSA-N 1 0 342.399 2.495 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164442591 1321379972 /nfs/dbraw/zinc/37/99/72/1321379972.db2.gz DXYUSFCWCLDCFZ-UHFFFAOYSA-N 1 0 327.388 2.069 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)n1 ZINC001165090002 1321452707 /nfs/dbraw/zinc/45/27/07/1321452707.db2.gz WXRXRSULMGBFHT-RDJZCZTQSA-N 1 0 339.399 2.404 20 5 EEBDRO CN(C)/C=C/c1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165243495 1321481773 /nfs/dbraw/zinc/48/17/73/1321481773.db2.gz NZJWGLGYDKEOOZ-AUNFYEFLSA-N 1 0 331.420 2.102 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165288581 1321493796 /nfs/dbraw/zinc/49/37/96/1321493796.db2.gz PWSASSFGSZHJQD-LDYMZIIASA-N 1 0 347.202 2.111 20 5 EEBDRO Cc1ccc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001165396342 1321516308 /nfs/dbraw/zinc/51/63/08/1321516308.db2.gz ZUTLZSQHYAKGJQ-GDBMZVCRSA-N 1 0 325.372 2.301 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC001165434254 1321526138 /nfs/dbraw/zinc/52/61/38/1321526138.db2.gz QMBLIZNMGYVLKL-IVDJAJHCSA-N 1 0 349.410 2.035 20 5 EEBDRO Cc1cnc(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)c([N+](=O)[O-])c1 ZINC001165512131 1321537519 /nfs/dbraw/zinc/53/75/19/1321537519.db2.gz AVWIXWUCUCSYEV-UHFFFAOYSA-N 1 0 342.403 2.323 20 5 EEBDRO Cc1c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001166156189 1321665858 /nfs/dbraw/zinc/66/58/58/1321665858.db2.gz SYKCXBSBPVJTBJ-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCC2CC[NH+](C(C)C)CC2)n1 ZINC001166604448 1321747926 /nfs/dbraw/zinc/74/79/26/1321747926.db2.gz XOOOERSSZQZYAR-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCCN2CCSC[C@@H]12 ZINC001307208856 1329871693 /nfs/dbraw/zinc/87/16/93/1329871693.db2.gz RYKDIINYJLMVNA-GWCFXTLKSA-N 1 0 338.389 2.495 20 5 EEBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC001320037225 1332814421 /nfs/dbraw/zinc/81/44/21/1332814421.db2.gz PIFKOEWKQKHUTL-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322194420 1333225139 /nfs/dbraw/zinc/22/51/39/1333225139.db2.gz LNKWGXRGGXFYSG-CABCVRRESA-N 1 0 330.388 2.247 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001327750890 1334342014 /nfs/dbraw/zinc/34/20/14/1334342014.db2.gz CXQFPRXYQOGTAC-KBPBESRZSA-N 1 0 336.348 2.106 20 5 EEBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC001609278823 1351919878 /nfs/dbraw/zinc/91/98/78/1351919878.db2.gz XXHXWGAXJUYERB-CYBMUJFWSA-N 1 0 348.407 2.004 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001328398027 1334454335 /nfs/dbraw/zinc/45/43/35/1334454335.db2.gz FEAJBGMHQRTAMN-AWEZNQCLSA-N 1 0 346.431 2.488 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001328476534 1334464987 /nfs/dbraw/zinc/46/49/87/1334464987.db2.gz BBPJXHMLVZMAGB-SECBINFHSA-N 1 0 331.825 2.455 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001329101441 1334585637 /nfs/dbraw/zinc/58/56/37/1334585637.db2.gz NXMPYCHLEXWDJO-ZDUSSCGKSA-N 1 0 332.404 2.194 20 5 EEBDRO CC(C)C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C ZINC001335350005 1336365925 /nfs/dbraw/zinc/36/59/25/1336365925.db2.gz AKOSWICKWWFBBZ-AWEZNQCLSA-N 1 0 336.436 2.489 20 5 EEBDRO CC(C)([NH3+])CCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575346890 1343779291 /nfs/dbraw/zinc/77/92/91/1343779291.db2.gz DFOJCZWPWRRRFB-UHFFFAOYSA-N 1 0 333.392 2.037 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001576017900 1343946783 /nfs/dbraw/zinc/94/67/83/1343946783.db2.gz YMKLZMXWWDJNIO-QWHCGFSZSA-N 1 0 334.420 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001579241864 1344357864 /nfs/dbraw/zinc/35/78/64/1344357864.db2.gz IDXTYXFAFPJTIB-SFHVURJKSA-N 1 0 341.367 2.473 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001580566267 1344537668 /nfs/dbraw/zinc/53/76/68/1344537668.db2.gz PNAZFVWAJKBEOT-YVEFUNNKSA-N 1 0 342.399 2.219 20 5 EEBDRO CCC[NH+]1CCC(N(C)c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001604219856 1350895872 /nfs/dbraw/zinc/89/58/72/1350895872.db2.gz HCHDIAZMJSAONH-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116164862 1371721829 /nfs/dbraw/zinc/72/18/29/1371721829.db2.gz SKNGNNLHELUZSX-GFCCVEGCSA-N 1 0 330.388 2.104 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909977 1372575768 /nfs/dbraw/zinc/57/57/68/1372575768.db2.gz BWKNMNBMSUOAEN-NORZTCDRSA-N 1 0 345.403 2.481 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000848622074 1373161785 /nfs/dbraw/zinc/16/17/85/1373161785.db2.gz QZDNLKOQFKCFPX-YVEFUNNKSA-N 1 0 343.387 2.490 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)CC2 ZINC001575522558 1403552487 /nfs/dbraw/zinc/55/24/87/1403552487.db2.gz KXSMQZGWVZTBID-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC001576300226 1403564039 /nfs/dbraw/zinc/56/40/39/1403564039.db2.gz JFVDXOFZETXIPP-SNVBAGLBSA-N 1 0 347.400 2.055 20 5 EEBDRO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1(C[NH3+])CCCCC1 ZINC001578506215 1403765305 /nfs/dbraw/zinc/76/53/05/1403765305.db2.gz HTFVCPTUCXOKTH-UHFFFAOYSA-N 1 0 335.330 2.445 20 5 EEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001580251022 1403854787 /nfs/dbraw/zinc/85/47/87/1403854787.db2.gz YZOSIBNMUAGXNF-LRDDRELGSA-N 1 0 335.429 2.417 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccns1)Cc1ccccc1[N+](=O)[O-] ZINC001751984912 1406164227 /nfs/dbraw/zinc/16/42/27/1406164227.db2.gz BZSKHVWIDBDZFU-UHFFFAOYSA-N 1 0 334.401 2.303 20 5 EEBDRO O=[N+]([O-])c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725219 720332719 /nfs/dbraw/zinc/33/27/19/720332719.db2.gz MRDCRFZJXFWONI-HOTGVXAUSA-N 1 0 325.372 2.238 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1cccc(F)c1[N+](=O)[O-] ZINC001100576452 760306027 /nfs/dbraw/zinc/30/60/27/760306027.db2.gz CTAALDULUHDSFC-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000920863987 770873287 /nfs/dbraw/zinc/87/32/87/770873287.db2.gz GIXXCHNNDXZIDO-QGZVFWFLSA-N 1 0 347.415 2.276 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001105410682 782963503 /nfs/dbraw/zinc/96/35/03/782963503.db2.gz JZYJDPKUBURIKX-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO Cc1cc(N(C)CCN(C)C(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001105415263 783184244 /nfs/dbraw/zinc/18/42/44/783184244.db2.gz KPSGJFBDESCFEK-UHFFFAOYSA-N 1 0 336.436 2.138 20 5 EEBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001106993154 783553720 /nfs/dbraw/zinc/55/37/20/783553720.db2.gz GHEAGYRDZJPUAR-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817131827 784527403 /nfs/dbraw/zinc/52/74/03/784527403.db2.gz RDDHVLGIGKLQSE-NSHDSACASA-N 1 0 339.367 2.441 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000817995007 785113345 /nfs/dbraw/zinc/11/33/45/785113345.db2.gz SBRQSFFSDBEFRG-PSASIEDQSA-N 1 0 329.759 2.173 20 5 EEBDRO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000818532970 785274808 /nfs/dbraw/zinc/27/48/08/785274808.db2.gz XWHJLIUIITWIPH-ZJUUUORDSA-N 1 0 343.786 2.434 20 5 EEBDRO CC1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000818583634 785299778 /nfs/dbraw/zinc/29/97/78/785299778.db2.gz HLCSHKPELZDUIX-UHFFFAOYSA-N 1 0 329.759 2.188 20 5 EEBDRO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000819005419 785360255 /nfs/dbraw/zinc/36/02/55/785360255.db2.gz PEPOOGLWYDRWJQ-AWEZNQCLSA-N 1 0 339.392 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000819266473 785500036 /nfs/dbraw/zinc/50/00/36/785500036.db2.gz YCSKDKZZJBEEKO-NSHDSACASA-N 1 0 340.273 2.135 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107205181 786397557 /nfs/dbraw/zinc/39/75/57/786397557.db2.gz XAWFAOAQYAAGPQ-VOTSOKGWSA-N 1 0 334.420 2.329 20 5 EEBDRO C[NH+]1CCC(C(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107239221 786591824 /nfs/dbraw/zinc/59/18/24/786591824.db2.gz HYFBAUBSGDCWFI-PLNGDYQASA-N 1 0 332.404 2.021 20 5 EEBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000822662979 787319973 /nfs/dbraw/zinc/31/99/73/787319973.db2.gz JLNGUGQANOOEPI-NSHDSACASA-N 1 0 339.367 2.347 20 5 EEBDRO C[NH+](C)C1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000823742671 787895764 /nfs/dbraw/zinc/89/57/64/787895764.db2.gz UFMJJPAAJGBUAY-HNNXBMFYSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)n1 ZINC001109653501 805831006 /nfs/dbraw/zinc/83/10/06/805831006.db2.gz YZYNCYXYBVEHRC-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1Cl ZINC000824565478 788216887 /nfs/dbraw/zinc/21/68/87/788216887.db2.gz WTRAXPUDLCNBGV-CYBMUJFWSA-N 1 0 327.812 2.185 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C ZINC000074136845 788687841 /nfs/dbraw/zinc/68/78/41/788687841.db2.gz XLHMQRACPWBUQO-AWEZNQCLSA-N 1 0 336.436 2.367 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845481827 789825625 /nfs/dbraw/zinc/82/56/25/789825625.db2.gz CPQHXECAWAHAPX-SNVBAGLBSA-N 1 0 330.791 2.435 20 5 EEBDRO COC/C(C)=C\C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000845574336 789849373 /nfs/dbraw/zinc/84/93/73/789849373.db2.gz AQVYGYGFVMLNRK-RQPMMQJISA-N 1 0 334.372 2.305 20 5 EEBDRO Cc1nn(CCC(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000845735128 789928734 /nfs/dbraw/zinc/92/87/34/789928734.db2.gz KXDOSYJOVIBADX-CYBMUJFWSA-N 1 0 338.408 2.214 20 5 EEBDRO O=[N+]([O-])c1cccc2c(NCC3([NH+]4CCCC4)COC3)ccnc21 ZINC001168447249 794892954 /nfs/dbraw/zinc/89/29/54/794892954.db2.gz CXTAKLTWPJAZFS-UHFFFAOYSA-N 1 0 328.372 2.420 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1 ZINC000716197603 795615196 /nfs/dbraw/zinc/61/51/96/795615196.db2.gz GMNJZIKNLMELGR-RTBURBONSA-N 1 0 341.411 2.492 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001094784375 796578269 /nfs/dbraw/zinc/57/82/69/796578269.db2.gz RIHZRPBEZFRLEW-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172898976 797128140 /nfs/dbraw/zinc/12/81/40/797128140.db2.gz KDDLPTOYDISJCF-BQFCYCMXSA-N 1 0 329.400 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@H]3C[C@H](CO)C[C@@H]31)CC2 ZINC001172903917 797130984 /nfs/dbraw/zinc/13/09/84/797130984.db2.gz JPBWNKYBVUSKMW-VLDUQVBPSA-N 1 0 346.427 2.314 20 5 EEBDRO CCC(=O)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172909188 797132875 /nfs/dbraw/zinc/13/28/75/797132875.db2.gz QBBMTNUTBOHMSH-INIZCTEOSA-N 1 0 331.416 2.396 20 5 EEBDRO CC(C)(CN)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006364 797193677 /nfs/dbraw/zinc/19/36/77/797193677.db2.gz SGJBMUJJLNNEKN-UHFFFAOYSA-N 1 0 328.363 2.169 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cncnc2)CC1 ZINC001173230985 797312350 /nfs/dbraw/zinc/31/23/50/797312350.db2.gz HUPKAFFRWKKIJB-CQSZACIVSA-N 1 0 327.388 2.138 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212276 797314965 /nfs/dbraw/zinc/31/49/65/797314965.db2.gz YUYDPGPZTORQJN-NSHDSACASA-N 1 0 332.360 2.230 20 5 EEBDRO CCc1onc(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175777646 798230867 /nfs/dbraw/zinc/23/08/67/798230867.db2.gz UFYPRFKWIYSMNG-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO C[NH+]1CCC(CC(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001110232068 800107531 /nfs/dbraw/zinc/10/75/31/800107531.db2.gz ANGBEHKVRWHKIT-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)sc1C ZINC001151440885 802321699 /nfs/dbraw/zinc/32/16/99/802321699.db2.gz DSFXINCDKCOKHQ-UHFFFAOYSA-N 1 0 340.430 2.249 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001086306712 802704986 /nfs/dbraw/zinc/70/49/86/802704986.db2.gz QZIZZIODBKDWRJ-UMSPYCQHSA-N 1 0 334.401 2.283 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001168882629 803500049 /nfs/dbraw/zinc/50/00/49/803500049.db2.gz DOZCBCBOAAGYKX-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc4cc[nH]c4c([N+](=O)[O-])c3)n2)c1 ZINC001168885323 803501269 /nfs/dbraw/zinc/50/12/69/803501269.db2.gz XQBSWQUKBTWTAY-UHFFFAOYSA-N 1 0 335.327 2.178 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccnc4c3cccc4[N+](=O)[O-])n2)c1 ZINC001168887565 803501424 /nfs/dbraw/zinc/50/14/24/803501424.db2.gz HZZNMLDEUUSJDO-UHFFFAOYSA-N 1 0 347.338 2.244 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](F)C1 ZINC001168969112 803553470 /nfs/dbraw/zinc/55/34/70/803553470.db2.gz CLFKGFZVNYGXLC-IGQOVBAYSA-N 1 0 345.415 2.369 20 5 EEBDRO COc1ccccc1C1(N)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168994586 803561525 /nfs/dbraw/zinc/56/15/25/803561525.db2.gz QEKYAHZLPWZAEN-CABCVRRESA-N 1 0 333.432 2.390 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010298 803570902 /nfs/dbraw/zinc/57/09/02/803570902.db2.gz CMPXHEAJXRZUQG-AJNGGQMLSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169014051 803571712 /nfs/dbraw/zinc/57/17/12/803571712.db2.gz YNKKAHLUKYIYIG-SMOJQAGNSA-N 1 0 339.436 2.421 20 5 EEBDRO CCOC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168987897 803572690 /nfs/dbraw/zinc/57/26/90/803572690.db2.gz LDRXCVKNZWBLFA-XPKDYRNWSA-N 1 0 336.388 2.422 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)C1 ZINC001169017521 803586667 /nfs/dbraw/zinc/58/66/67/803586667.db2.gz AGMLSBVTPANWPD-YFUQURRKSA-N 1 0 347.415 2.138 20 5 EEBDRO O=C1NCC[C@]12C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@H]2c1ccccc1 ZINC001169026766 803592241 /nfs/dbraw/zinc/59/22/41/803592241.db2.gz NVPCAAMZRGGINN-VYCZESIESA-N 1 0 343.427 2.038 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1cccc(F)c1 ZINC001169054890 803597194 /nfs/dbraw/zinc/59/71/94/803597194.db2.gz OBTJKOWJCUKXEF-IAOVAPTHSA-N 1 0 349.406 2.465 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000789802205 808203808 /nfs/dbraw/zinc/20/38/08/808203808.db2.gz WAHRIPRDXZEXAX-CQSZACIVSA-N 1 0 336.392 2.050 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1cccc(F)c1[N+](=O)[O-] ZINC000790610373 808846502 /nfs/dbraw/zinc/84/65/02/808846502.db2.gz ZRXIXGAZRMHKRC-SNVBAGLBSA-N 1 0 341.412 2.009 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170297854 809870623 /nfs/dbraw/zinc/87/06/23/809870623.db2.gz UNHYXDXGLVMGDY-CYBMUJFWSA-N 1 0 335.404 2.137 20 5 EEBDRO CCOc1cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001170284060 809880093 /nfs/dbraw/zinc/88/00/93/809880093.db2.gz ORKUEHHNNYDTQG-BZUAXINKSA-N 1 0 339.392 2.130 20 5 EEBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2OCC)CC[NH2+]C1 ZINC001170517928 812090532 /nfs/dbraw/zinc/09/05/32/812090532.db2.gz VTAKIIZTZHMLPV-UHFFFAOYSA-N 1 0 335.360 2.216 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001130974511 812255794 /nfs/dbraw/zinc/25/57/94/812255794.db2.gz HAWKONJBNXAOFB-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000808191109 812504969 /nfs/dbraw/zinc/50/49/69/812504969.db2.gz KSAPMGSDNGCORJ-QWHCGFSZSA-N 1 0 346.387 2.019 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000808191162 812505633 /nfs/dbraw/zinc/50/56/33/812505633.db2.gz MIOVTSXYAYXHPO-GXTWGEPZSA-N 1 0 346.387 2.019 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1C ZINC001131388907 812775984 /nfs/dbraw/zinc/77/59/84/812775984.db2.gz DWYLYTWKVZSLCG-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174559120 231241913 /nfs/dbraw/zinc/24/19/13/231241913.db2.gz XBQWOPYAAOLBQH-MRXNPFEDSA-N 1 0 331.416 2.472 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804144 529467834 /nfs/dbraw/zinc/46/78/34/529467834.db2.gz HCJUCNZOSMFILH-ZBEGNZNMSA-N 1 0 337.424 2.121 20 5 EEBDRO C[C@](CO)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000174792498 231313204 /nfs/dbraw/zinc/31/32/04/231313204.db2.gz FBWYWPNESSWITM-QGZVFWFLSA-N 1 0 335.404 2.115 20 5 EEBDRO C[NH2+]CCCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000121661809 290655323 /nfs/dbraw/zinc/65/53/23/290655323.db2.gz QIKDBDZJOQEUAE-ZIAGYGMSSA-N 1 0 348.447 2.416 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000178680997 232370529 /nfs/dbraw/zinc/37/05/29/232370529.db2.gz PWVYDODMPNMPLL-NEPJUHHUSA-N 1 0 336.392 2.177 20 5 EEBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261707935 290827736 /nfs/dbraw/zinc/82/77/36/290827736.db2.gz JSXOYOOWFWKQSC-MELADBBJSA-N 1 0 348.447 2.415 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186796624 236024131 /nfs/dbraw/zinc/02/41/31/236024131.db2.gz QFCUQFIYMZKJAV-ZDUSSCGKSA-N 1 0 334.420 2.256 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189351385 236840303 /nfs/dbraw/zinc/84/03/03/236840303.db2.gz KFKXMGYCMANPFN-CABCVRRESA-N 1 0 330.388 2.244 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422636667 240168349 /nfs/dbraw/zinc/16/83/49/240168349.db2.gz NJSYPBYNYQYXJA-IHRRRGAJSA-N 1 0 334.420 2.147 20 5 EEBDRO CSc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425046095 241108895 /nfs/dbraw/zinc/10/88/95/241108895.db2.gz KODJBKPAEZKFEQ-GXTWGEPZSA-N 1 0 335.429 2.483 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446112298 242158593 /nfs/dbraw/zinc/15/85/93/242158593.db2.gz OOTQVOUUEAAJNS-UHFFFAOYSA-N 1 0 349.431 2.097 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235376996 242282741 /nfs/dbraw/zinc/28/27/41/242282741.db2.gz VTPPGMZFJWFDPN-KCJUWKMLSA-N 1 0 342.193 2.228 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236723962 242335602 /nfs/dbraw/zinc/33/56/02/242335602.db2.gz UUBALJKPPXDOBE-ZDUSSCGKSA-N 1 0 349.840 2.290 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000236666964 242312917 /nfs/dbraw/zinc/31/29/17/242312917.db2.gz ZAUWVKRRDMXAFC-MRXNPFEDSA-N 1 0 346.431 2.298 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245748299 243150894 /nfs/dbraw/zinc/15/08/94/243150894.db2.gz AJLHQHPZYINYST-DANNLKNASA-N 1 0 333.388 2.469 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552213 243156814 /nfs/dbraw/zinc/15/68/14/243156814.db2.gz YKPULHQATLZVTB-OFQRWUPVSA-N 1 0 338.404 2.081 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451700628 243213642 /nfs/dbraw/zinc/21/36/42/243213642.db2.gz YBOCSNKENDVOPX-ILXRZTDVSA-N 1 0 347.415 2.406 20 5 EEBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000456281355 244204853 /nfs/dbraw/zinc/20/48/53/244204853.db2.gz QZZVKHDDWKJZDU-INIZCTEOSA-N 1 0 343.387 2.369 20 5 EEBDRO C[NH+](C)CC(C)(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459551180 245164455 /nfs/dbraw/zinc/16/44/55/245164455.db2.gz RJYWPBLYLULPRF-UHFFFAOYSA-N 1 0 328.800 2.117 20 5 EEBDRO Cc1c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000079085380 217189211 /nfs/dbraw/zinc/18/92/11/217189211.db2.gz QMEGQLCRQNFSPJ-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079458544 217227043 /nfs/dbraw/zinc/22/70/43/217227043.db2.gz HUYMTBOUFKSVPR-ZDUSSCGKSA-N 1 0 332.404 2.221 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000491477831 246043302 /nfs/dbraw/zinc/04/33/02/246043302.db2.gz IBRKHOKURKTOJQ-ZDTYVGOBSA-N 1 0 333.363 2.444 20 5 EEBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491687203 246110683 /nfs/dbraw/zinc/11/06/83/246110683.db2.gz UWLIZJBCNIPFHJ-YFUKIHRRSA-N 1 0 333.363 2.442 20 5 EEBDRO CN(c1c([N+](=O)[O-])ncn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264989885 247114866 /nfs/dbraw/zinc/11/48/66/247114866.db2.gz SRIHZOKTFQBYDW-UHFFFAOYSA-N 1 0 329.404 2.429 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000265101163 247203450 /nfs/dbraw/zinc/20/34/50/247203450.db2.gz DXQRCGNTDFBZAD-JKSUJKDBSA-N 1 0 333.388 2.485 20 5 EEBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@H+](C)C1 ZINC000266131425 248118144 /nfs/dbraw/zinc/11/81/44/248118144.db2.gz MQLUTZBEBFIDFA-HNNXBMFYSA-N 1 0 330.388 2.102 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000266144896 248127740 /nfs/dbraw/zinc/12/77/40/248127740.db2.gz RMDZKZIGJCPNSK-UHFFFAOYSA-N 1 0 346.387 2.083 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000267085633 256025412 /nfs/dbraw/zinc/02/54/12/256025412.db2.gz HLAFPAROMPFHHS-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000267085636 256025658 /nfs/dbraw/zinc/02/56/58/256025658.db2.gz HLAFPAROMPFHHS-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000267512059 256065456 /nfs/dbraw/zinc/06/54/56/256065456.db2.gz MCAIDWBWYKFAGY-GXTWGEPZSA-N 1 0 342.403 2.432 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268157624 256119970 /nfs/dbraw/zinc/11/99/70/256119970.db2.gz HIJWLIHKYCEQRO-RNCFNFMXSA-N 1 0 348.359 2.024 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000273499908 256301754 /nfs/dbraw/zinc/30/17/54/256301754.db2.gz LYTUUOFZFYJWOW-CABCVRRESA-N 1 0 335.429 2.247 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000273673529 256316885 /nfs/dbraw/zinc/31/68/85/256316885.db2.gz XXOREDKYGYNHKR-UHFFFAOYSA-N 1 0 327.388 2.486 20 5 EEBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000274693038 256379656 /nfs/dbraw/zinc/37/96/56/256379656.db2.gz RGVURXMANWAJCQ-UHFFFAOYSA-N 1 0 340.399 2.253 20 5 EEBDRO CCN(CCC[NH+](CC)CC)c1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276821388 256470475 /nfs/dbraw/zinc/47/04/75/256470475.db2.gz UCTSYIJOVAMRPR-UHFFFAOYSA-N 1 0 338.408 2.335 20 5 EEBDRO COc1cc(C)c([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000179618259 533612471 /nfs/dbraw/zinc/61/24/71/533612471.db2.gz GCQQFMAJUHZENH-LBPRGKRZSA-N 1 0 334.376 2.468 20 5 EEBDRO COC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC000078728204 292193188 /nfs/dbraw/zinc/19/31/88/292193188.db2.gz ZDAGWARMEZPLIT-HNNXBMFYSA-N 1 0 336.388 2.447 20 5 EEBDRO CC[C@H](CO)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119246418 292243146 /nfs/dbraw/zinc/24/31/46/292243146.db2.gz PDAPBCRLAIIUIH-GFCCVEGCSA-N 1 0 327.812 2.137 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116763644 152061698 /nfs/dbraw/zinc/06/16/98/152061698.db2.gz QHPGCXPKHFQUTB-UHFFFAOYSA-N 1 0 343.811 2.474 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000067286060 159009425 /nfs/dbraw/zinc/00/94/25/159009425.db2.gz NVSGGRRCOSZULD-CQSZACIVSA-N 1 0 348.428 2.487 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072672445 159043694 /nfs/dbraw/zinc/04/36/94/159043694.db2.gz ZUAOXJSWWMDONC-HNNXBMFYSA-N 1 0 336.392 2.073 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000083026351 159160724 /nfs/dbraw/zinc/16/07/24/159160724.db2.gz JRFUUCLSNMVAKD-HUUCEWRRSA-N 1 0 349.431 2.143 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000102481131 159265193 /nfs/dbraw/zinc/26/51/93/159265193.db2.gz IUWQSFMFNXBOHW-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000187032887 160090562 /nfs/dbraw/zinc/09/05/62/160090562.db2.gz XYFYPSLAXDCMQS-OAHLLOKOSA-N 1 0 344.371 2.037 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000193896254 160188454 /nfs/dbraw/zinc/18/84/54/160188454.db2.gz NPRPLOXXDPNPHM-DKEFEPSLSA-N 1 0 348.447 2.347 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000342401650 161062441 /nfs/dbraw/zinc/06/24/41/161062441.db2.gz OSQAJFWPZMFKPP-UHFFFAOYSA-N 1 0 342.399 2.303 20 5 EEBDRO C[C@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000342420860 161064303 /nfs/dbraw/zinc/06/43/03/161064303.db2.gz OLLXSXJLBBANKE-ZBEGNZNMSA-N 1 0 331.347 2.481 20 5 EEBDRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000342695756 161083764 /nfs/dbraw/zinc/08/37/64/161083764.db2.gz PZIDNOCTJOMPAE-UONOGXRCSA-N 1 0 347.371 2.468 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)n1 ZINC000342785956 161090821 /nfs/dbraw/zinc/09/08/21/161090821.db2.gz UKGPMZXSMMUATJ-UHFFFAOYSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000343066167 161099783 /nfs/dbraw/zinc/09/97/83/161099783.db2.gz CYDYHXBYAJUJMQ-NWDGAFQWSA-N 1 0 345.403 2.464 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343402177 161132698 /nfs/dbraw/zinc/13/26/98/161132698.db2.gz LLGRJOYAQTZBTP-DOTOQJQBSA-N 1 0 338.404 2.129 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344132119 161200895 /nfs/dbraw/zinc/20/08/95/161200895.db2.gz OSPGPMWPLZFMIE-UONOGXRCSA-N 1 0 335.404 2.325 20 5 EEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000344869761 161252342 /nfs/dbraw/zinc/25/23/42/161252342.db2.gz ZHYYMJNILOZHFI-UHFFFAOYSA-N 1 0 348.378 2.276 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cc2ccccc2)n1 ZINC000348277097 161490565 /nfs/dbraw/zinc/49/05/65/161490565.db2.gz FYNCAMNWBWZVPQ-GVDBMIGSSA-N 1 0 344.415 2.468 20 5 EEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000348322662 161494016 /nfs/dbraw/zinc/49/40/16/161494016.db2.gz OFPLYYMQIVEWCW-WDEREUQCSA-N 1 0 347.375 2.015 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000349218201 161533363 /nfs/dbraw/zinc/53/33/63/161533363.db2.gz SUSVNASYAFNAPL-HNNXBMFYSA-N 1 0 349.431 2.476 20 5 EEBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000352448570 162139620 /nfs/dbraw/zinc/13/96/20/162139620.db2.gz HZCSBCGOKGPSSL-UHFFFAOYSA-N 1 0 338.408 2.093 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000352488069 162154186 /nfs/dbraw/zinc/15/41/86/162154186.db2.gz LUSIHUYTQQIIHZ-LSDHHAIUSA-N 1 0 337.445 2.430 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000352868763 162321657 /nfs/dbraw/zinc/32/16/57/162321657.db2.gz DLZCKCSKFZQPAU-OLZOCXBDSA-N 1 0 341.433 2.088 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353794739 162697859 /nfs/dbraw/zinc/69/78/59/162697859.db2.gz BKKCWXQOXXXBHT-HIFRSBDPSA-N 1 0 349.435 2.169 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC1CCC1 ZINC000355531813 163221406 /nfs/dbraw/zinc/22/14/06/163221406.db2.gz LBLFQCZPUUSNRQ-DOMZBBRYSA-N 1 0 335.404 2.453 20 5 EEBDRO CS(=O)(=O)CCCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000359377806 164123739 /nfs/dbraw/zinc/12/37/39/164123739.db2.gz MNBQTCFPAQOYSX-CLFYSBASSA-N 1 0 326.418 2.413 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000364765689 165264717 /nfs/dbraw/zinc/26/47/17/165264717.db2.gz YAQOLQOAYGVMFQ-GUYCJALGSA-N 1 0 349.387 2.089 20 5 EEBDRO Cc1ccc([C@]2(C)CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028262 166380612 /nfs/dbraw/zinc/38/06/12/166380612.db2.gz CJUPNDZJLRLKRE-QZTJIDSGSA-N 1 0 344.415 2.124 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374425948 167041118 /nfs/dbraw/zinc/04/11/18/167041118.db2.gz AUBUOCXQIICSPJ-MRXNPFEDSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375739330 167181977 /nfs/dbraw/zinc/18/19/77/167181977.db2.gz ZZMPZPYXZVCWRR-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160290090 225381497 /nfs/dbraw/zinc/38/14/97/225381497.db2.gz LFBLEZQMCKLMOG-LBPRGKRZSA-N 1 0 332.385 2.282 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000272504206 268984231 /nfs/dbraw/zinc/98/42/31/268984231.db2.gz ODXFQBZELXOFTM-DYVFJYSZSA-N 1 0 342.399 2.102 20 5 EEBDRO COc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000274441086 269033558 /nfs/dbraw/zinc/03/35/58/269033558.db2.gz GTLNMPAMQSDULR-GFCCVEGCSA-N 1 0 340.399 2.180 20 5 EEBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000275359141 269110420 /nfs/dbraw/zinc/11/04/20/269110420.db2.gz ASLFWHFAIKLBJJ-CXFYGJIZSA-N 1 0 328.372 2.461 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(N)c2F)CCCO1 ZINC000277581012 269161949 /nfs/dbraw/zinc/16/19/49/269161949.db2.gz BVLBULSXDWJDAK-LLVKDONJSA-N 1 0 326.372 2.229 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277635860 269166129 /nfs/dbraw/zinc/16/61/29/269166129.db2.gz XOZHCZITZWQEKU-OAHLLOKOSA-N 1 0 346.431 2.408 20 5 EEBDRO COc1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277730706 269176208 /nfs/dbraw/zinc/17/62/08/269176208.db2.gz JPNZHSCHBVOQBS-CQSZACIVSA-N 1 0 337.420 2.194 20 5 EEBDRO CC[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](CC)CC ZINC000277871877 269193315 /nfs/dbraw/zinc/19/33/15/269193315.db2.gz DQNHFBOWHXVIJV-CQSZACIVSA-N 1 0 333.392 2.208 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278840089 269245844 /nfs/dbraw/zinc/24/58/44/269245844.db2.gz KVHIXKIRCZPDTO-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279317642 269270931 /nfs/dbraw/zinc/27/09/31/269270931.db2.gz OXZPHRWRAWNVIR-SECBINFHSA-N 1 0 331.775 2.386 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280252641 269342764 /nfs/dbraw/zinc/34/27/64/269342764.db2.gz BNYOKZSXMCGWLI-RHSMWYFYSA-N 1 0 338.404 2.226 20 5 EEBDRO Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280311240 269349651 /nfs/dbraw/zinc/34/96/51/269349651.db2.gz GDFVXXMNWKWBEY-DOTOQJQBSA-N 1 0 344.415 2.259 20 5 EEBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000236715089 273563474 /nfs/dbraw/zinc/56/34/74/273563474.db2.gz KBDQNWLFEHRLLH-INIZCTEOSA-N 1 0 345.403 2.121 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000176924185 274000020 /nfs/dbraw/zinc/00/00/20/274000020.db2.gz HKEVVSFAVJIMAV-UHFFFAOYSA-N 1 0 330.344 2.069 20 5 EEBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1O ZINC000188992248 274035375 /nfs/dbraw/zinc/03/53/75/274035375.db2.gz IYADNAYUYHKEAK-HNNXBMFYSA-N 1 0 346.383 2.311 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000270235493 274120578 /nfs/dbraw/zinc/12/05/78/274120578.db2.gz VUZJCQYNPDLEJZ-LBPRGKRZSA-N 1 0 335.433 2.472 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278274753 274342688 /nfs/dbraw/zinc/34/26/88/274342688.db2.gz FSBTUTGQRQMBEK-AWEZNQCLSA-N 1 0 335.404 2.134 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278474140 274361621 /nfs/dbraw/zinc/36/16/21/274361621.db2.gz JTQZPDRCVFRGAB-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO CCC[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000285388044 274722753 /nfs/dbraw/zinc/72/27/53/274722753.db2.gz BTEAVHZUBYPWIR-QGZVFWFLSA-N 1 0 333.388 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029321 274928428 /nfs/dbraw/zinc/92/84/28/274928428.db2.gz LRHYIIUDPATNDE-MLGOLLRUSA-N 1 0 338.429 2.387 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261614915 275032933 /nfs/dbraw/zinc/03/29/33/275032933.db2.gz TWTLSIUYXLYFKR-UWVGGRQHSA-N 1 0 326.194 2.403 20 5 EEBDRO O=C(CC[NH2+][C@@H](CO)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000289565886 275128023 /nfs/dbraw/zinc/12/80/23/275128023.db2.gz PHTZDTOXEBSSLF-HNNXBMFYSA-N 1 0 339.367 2.203 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289987378 275168117 /nfs/dbraw/zinc/16/81/17/275168117.db2.gz YEEZFVGRAXKSRV-AVGNSLFASA-N 1 0 335.429 2.143 20 5 EEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290281142 275194692 /nfs/dbraw/zinc/19/46/92/275194692.db2.gz ZPDJEXOMZLIVKO-WUTVXBCWSA-N 1 0 329.400 2.456 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000290772333 275238009 /nfs/dbraw/zinc/23/80/09/275238009.db2.gz BUKPISZTYHBHQJ-NSHDSACASA-N 1 0 325.413 2.121 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000291640910 275325612 /nfs/dbraw/zinc/32/56/12/275325612.db2.gz BFDVQWZBSMXACT-ZDUSSCGKSA-N 1 0 349.366 2.052 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000292214370 275395012 /nfs/dbraw/zinc/39/50/12/275395012.db2.gz ONYYLDOTLRPGRD-CXAGYDPISA-N 1 0 343.383 2.221 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)COC ZINC000271020800 287910164 /nfs/dbraw/zinc/91/01/64/287910164.db2.gz AJSKMNHMDGTVEL-CHWSQXEVSA-N 1 0 328.434 2.453 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000354358292 276825199 /nfs/dbraw/zinc/82/51/99/276825199.db2.gz RFNCHSMNUORGRC-CQSZACIVSA-N 1 0 342.399 2.080 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237124954 277028114 /nfs/dbraw/zinc/02/81/14/277028114.db2.gz QGZBHYYYFPADHY-JTQLQIEISA-N 1 0 342.193 2.181 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000134100900 277042142 /nfs/dbraw/zinc/04/21/42/277042142.db2.gz LLAKRCVMWFGCFX-JTQLQIEISA-N 1 0 331.294 2.438 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000368500084 277280275 /nfs/dbraw/zinc/28/02/75/277280275.db2.gz VRBZXJIWPAUGRR-GVXVVHGQSA-N 1 0 341.408 2.234 20 5 EEBDRO Cc1cc(NCCN2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360923411 280299478 /nfs/dbraw/zinc/29/94/78/280299478.db2.gz AVYQIQBLAONWDS-ZDUSSCGKSA-N 1 0 330.388 2.006 20 5 EEBDRO Cn1ccnc1[C@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353671166 289059767 /nfs/dbraw/zinc/05/97/67/289059767.db2.gz NDKPNKHHOITECQ-MRXNPFEDSA-N 1 0 343.431 2.492 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000283009822 292882693 /nfs/dbraw/zinc/88/26/93/292882693.db2.gz GFVKVIREFIXMGK-VXGBXAGGSA-N 1 0 337.376 2.019 20 5 EEBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293522141 293229489 /nfs/dbraw/zinc/22/94/89/293229489.db2.gz WERAHKARIPTMNS-JTQLQIEISA-N 1 0 348.346 2.450 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000293824367 293303967 /nfs/dbraw/zinc/30/39/67/293303967.db2.gz QQWFKSALESARFA-SECBINFHSA-N 1 0 344.209 2.285 20 5 EEBDRO C[NH+](C)CCOc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294508524 293472525 /nfs/dbraw/zinc/47/25/25/293472525.db2.gz HLJYYGONAMXOPS-UHFFFAOYSA-N 1 0 337.420 2.079 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296609365 294020419 /nfs/dbraw/zinc/02/04/19/294020419.db2.gz APPYJRQZMMVKOE-UHFFFAOYSA-N 1 0 342.371 2.132 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261698141 297398196 /nfs/dbraw/zinc/39/81/96/297398196.db2.gz IZXAVXNRAUNLLV-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000127735365 300484585 /nfs/dbraw/zinc/48/45/85/300484585.db2.gz VAZMTDZSDFKSOI-KCQAQPDRSA-N 1 0 346.431 2.169 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262106696 300490456 /nfs/dbraw/zinc/49/04/56/300490456.db2.gz ZTFPQJVMJACDHI-DTWKUNHWSA-N 1 0 331.294 2.423 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313334805 311586563 /nfs/dbraw/zinc/58/65/63/311586563.db2.gz BCHDFWQSEJZIQF-KRWDZBQOSA-N 1 0 325.368 2.310 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000324819077 311601609 /nfs/dbraw/zinc/60/16/09/311601609.db2.gz XFZAZPNDDNQANX-MRXNPFEDSA-N 1 0 334.347 2.306 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000330663838 311775143 /nfs/dbraw/zinc/77/51/43/311775143.db2.gz FFUYFAKFMMFMOD-ZDUSSCGKSA-N 1 0 326.418 2.385 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000332389553 311999917 /nfs/dbraw/zinc/99/99/17/311999917.db2.gz LFXZMTVSSDFDFY-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332465597 312011435 /nfs/dbraw/zinc/01/14/35/312011435.db2.gz RUAXIIJNVSUUGB-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000332500199 312016187 /nfs/dbraw/zinc/01/61/87/312016187.db2.gz VUBIHEFDPOSEPK-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126036 313430544 /nfs/dbraw/zinc/43/05/44/313430544.db2.gz CIFFCJXLPCRHLI-DLKVLKDVSA-N 1 0 332.404 2.425 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000417726641 313578075 /nfs/dbraw/zinc/57/80/75/313578075.db2.gz MVKKEMMMOKMGCI-OAHLLOKOSA-N 1 0 334.420 2.359 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417951968 313665444 /nfs/dbraw/zinc/66/54/44/313665444.db2.gz XOCBIUGGIPXQBJ-INIZCTEOSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986859 313677634 /nfs/dbraw/zinc/67/76/34/313677634.db2.gz IPMLDJKQNKDUEJ-QWRGUYRKSA-N 1 0 340.811 2.169 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCC[N@@H+]1C ZINC000420996833 314018707 /nfs/dbraw/zinc/01/87/07/314018707.db2.gz GAZXQEGCLCTJEP-CQSZACIVSA-N 1 0 331.376 2.171 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421019268 314028267 /nfs/dbraw/zinc/02/82/67/314028267.db2.gz PIUSHAANKWFVQX-ZIAGYGMSSA-N 1 0 335.404 2.406 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444678384 315316301 /nfs/dbraw/zinc/31/63/01/315316301.db2.gz WUSLPYPOOTWAJD-RHSMWYFYSA-N 1 0 348.403 2.127 20 5 EEBDRO C[NH+]1CCC(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448862199 315394081 /nfs/dbraw/zinc/39/40/81/315394081.db2.gz XAKQTHDNJBKQRI-UHFFFAOYSA-N 1 0 333.388 2.016 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448879312 315396159 /nfs/dbraw/zinc/39/61/59/315396159.db2.gz ZJHUQWIGEUOUKY-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO C[C@@H](CC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449098768 315416185 /nfs/dbraw/zinc/41/61/85/315416185.db2.gz KRUKEUHYJSIBGM-LBPRGKRZSA-N 1 0 343.449 2.287 20 5 EEBDRO O=c1[nH]cnc2cc(N3CC[C@@H]([NH+]4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000521672049 316927415 /nfs/dbraw/zinc/92/74/15/316927415.db2.gz OKVSZAUSNOTOLY-GFCCVEGCSA-N 1 0 343.387 2.308 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536628050 318005227 /nfs/dbraw/zinc/00/52/27/318005227.db2.gz WZEHZSPZDSIFLM-KGLIPLIRSA-N 1 0 337.420 2.365 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545194379 318206646 /nfs/dbraw/zinc/20/66/46/318206646.db2.gz USEGHKHIGNGBAY-XJKSGUPXSA-N 1 0 342.399 2.184 20 5 EEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000548041294 318348237 /nfs/dbraw/zinc/34/82/37/318348237.db2.gz GJSSBQPKYBYGMH-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000566150853 319252719 /nfs/dbraw/zinc/25/27/19/319252719.db2.gz IJTXELVSSXTYSR-AWEZNQCLSA-N 1 0 332.404 2.241 20 5 EEBDRO Cc1c(C)c(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1C ZINC000566673665 319310719 /nfs/dbraw/zinc/31/07/19/319310719.db2.gz WFZAWRMUMQFAJA-KRWDZBQOSA-N 1 0 346.431 2.484 20 5 EEBDRO CCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000566969025 319336634 /nfs/dbraw/zinc/33/66/34/319336634.db2.gz PTIBGIMPNINMHR-CQSZACIVSA-N 1 0 338.404 2.131 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000574355500 320017619 /nfs/dbraw/zinc/01/76/19/320017619.db2.gz WMSYLXAKELGNJG-HOTGVXAUSA-N 1 0 343.383 2.219 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])CC(C)C)cc1SC ZINC000575052270 320082817 /nfs/dbraw/zinc/08/28/17/320082817.db2.gz HOTYFORVKJVEPD-JTQLQIEISA-N 1 0 341.433 2.429 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000575058555 320083616 /nfs/dbraw/zinc/08/36/16/320083616.db2.gz HZKKPJRKRWHBJG-RHSMWYFYSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000575058554 320083649 /nfs/dbraw/zinc/08/36/49/320083649.db2.gz HZKKPJRKRWHBJG-PBHICJAKSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H]1COCCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574478 320184054 /nfs/dbraw/zinc/18/40/54/320184054.db2.gz OZQDQISWIICNSR-OAHLLOKOSA-N 1 0 333.432 2.322 20 5 EEBDRO Cc1cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(C)n1 ZINC000578004305 320288290 /nfs/dbraw/zinc/28/82/90/320288290.db2.gz CXZUZHKIWPCEQZ-UHFFFAOYSA-N 1 0 329.312 2.265 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000580971593 324161502 /nfs/dbraw/zinc/16/15/02/324161502.db2.gz GBIUMDRPRSJQTR-UHFFFAOYSA-N 1 0 327.388 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CC(F)(F)C2)cc1 ZINC000581186614 324202602 /nfs/dbraw/zinc/20/26/02/324202602.db2.gz RYHGTMUSPTXHAU-UHFFFAOYSA-N 1 0 348.371 2.394 20 5 EEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000581429693 324252712 /nfs/dbraw/zinc/25/27/12/324252712.db2.gz XLQJWNBOGVCURV-OAHLLOKOSA-N 1 0 330.388 2.487 20 5 EEBDRO CN1CCCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000609549115 450048057 /nfs/dbraw/zinc/04/80/57/450048057.db2.gz JHICBQLKLZWFOP-AWEZNQCLSA-N 1 0 329.360 2.408 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc2ncccc21 ZINC000325861807 465032398 /nfs/dbraw/zinc/03/23/98/465032398.db2.gz YKCLQSXKOYSHQD-QWHCGFSZSA-N 1 0 328.372 2.418 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000347457004 465033247 /nfs/dbraw/zinc/03/32/47/465033247.db2.gz YEGMYAFYIYJWFS-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339122245 465095495 /nfs/dbraw/zinc/09/54/95/465095495.db2.gz BUPQHJMGVJRTSZ-OAHLLOKOSA-N 1 0 336.392 2.169 20 5 EEBDRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000351503797 465190097 /nfs/dbraw/zinc/19/00/97/465190097.db2.gz UAFVZEGVUAPJJF-HUUCEWRRSA-N 1 0 343.387 2.164 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000356311029 465306336 /nfs/dbraw/zinc/30/63/36/465306336.db2.gz ITZUBQPBNHMCFF-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO NC(=O)c1cccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000342351117 465312328 /nfs/dbraw/zinc/31/23/28/465312328.db2.gz QUCUQDJVPZZBCP-ZDUSSCGKSA-N 1 0 332.404 2.148 20 5 EEBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000112921620 462554307 /nfs/dbraw/zinc/55/43/07/462554307.db2.gz MLEXDAFFAZLIQB-UHFFFAOYSA-N 1 0 348.447 2.001 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074096857 462555042 /nfs/dbraw/zinc/55/50/42/462555042.db2.gz FEVISQBOKNXFES-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269974 462584422 /nfs/dbraw/zinc/58/44/22/462584422.db2.gz HTOJNPZYABJIHN-UONOGXRCSA-N 1 0 332.404 2.010 20 5 EEBDRO CCS[C@@H](C)c1noc(CN(C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000128048018 462605336 /nfs/dbraw/zinc/60/53/36/462605336.db2.gz XQAAJOPMPGYNMY-JTQLQIEISA-N 1 0 340.409 2.120 20 5 EEBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153606579 462669246 /nfs/dbraw/zinc/66/92/46/462669246.db2.gz FFZHAXHNSSCZBU-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128815858 462672146 /nfs/dbraw/zinc/67/21/46/462672146.db2.gz MXLCBSUWAJJDCC-LBPRGKRZSA-N 1 0 339.367 2.421 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000046380602 462675627 /nfs/dbraw/zinc/67/56/27/462675627.db2.gz NDICTTXKXNNJQK-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000064312094 462693873 /nfs/dbraw/zinc/69/38/73/462693873.db2.gz PZRABIXBERAIIF-WDEREUQCSA-N 1 0 338.383 2.166 20 5 EEBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000154013412 462720083 /nfs/dbraw/zinc/72/00/83/462720083.db2.gz RQKFDYDTVCSBHK-JKSUJKDBSA-N 1 0 347.415 2.473 20 5 EEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000075651208 462746012 /nfs/dbraw/zinc/74/60/12/462746012.db2.gz PPLNQDXKGHAOPZ-UHFFFAOYSA-N 1 0 334.420 2.313 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047264460 462761766 /nfs/dbraw/zinc/76/17/66/462761766.db2.gz MLAUVZFDFBSZRY-GDBMZVCRSA-N 1 0 332.404 2.017 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000090549147 462796445 /nfs/dbraw/zinc/79/64/45/462796445.db2.gz 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NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000185901383 463901544 /nfs/dbraw/zinc/90/15/44/463901544.db2.gz IQTIMMYSOYVFAE-INIZCTEOSA-N 1 0 347.802 2.477 20 5 EEBDRO COCC1(CNc2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000261942479 463907476 /nfs/dbraw/zinc/90/74/76/463907476.db2.gz UYSLBKMHBJGBPY-UHFFFAOYSA-N 1 0 337.405 2.028 20 5 EEBDRO CCOC(=O)CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178558906 463920704 /nfs/dbraw/zinc/92/07/04/463920704.db2.gz QMGVEGFAXVXXPI-UHFFFAOYSA-N 1 0 337.376 2.117 20 5 EEBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590971883 468388066 /nfs/dbraw/zinc/38/80/66/468388066.db2.gz SFMWMHQOZVRATN-ZDUSSCGKSA-N 1 0 329.356 2.471 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3CCO)n2)cc1 ZINC000279369960 464093798 /nfs/dbraw/zinc/09/37/98/464093798.db2.gz XADJQZFPDYUQAX-FZMZJTMJSA-N 1 0 332.360 2.286 20 5 EEBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279741992 464139632 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BGBXJPCYWWNNHX-KBXCAEBGSA-N 1 0 346.431 2.340 20 5 EEBDRO COC(=O)CCCN1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271708098 464367166 /nfs/dbraw/zinc/36/71/66/464367166.db2.gz AGJLSEBFQPKIPB-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237968439 464411286 /nfs/dbraw/zinc/41/12/86/464411286.db2.gz SZXZTYXOLJAKFF-YIONKMFJSA-N 1 0 344.415 2.208 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000294264444 464448623 /nfs/dbraw/zinc/44/86/23/464448623.db2.gz DNWIXYOLUHJJOO-AWEZNQCLSA-N 1 0 325.384 2.380 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133541 464491100 /nfs/dbraw/zinc/49/11/00/464491100.db2.gz XKTYFPPSRVWKAA-ZIAGYGMSSA-N 1 0 339.342 2.430 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCOC ZINC000281605521 464520350 /nfs/dbraw/zinc/52/03/50/464520350.db2.gz MNSUQJOFTJOOPP-STQMWFEESA-N 1 0 328.434 2.453 20 5 EEBDRO CCOC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815600 464552986 /nfs/dbraw/zinc/55/29/86/464552986.db2.gz HDBSRJYIZRAIMG-JKSUJKDBSA-N 1 0 335.404 2.351 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000272306603 464556675 /nfs/dbraw/zinc/55/66/75/464556675.db2.gz REPHJEIZJJKLPW-UONOGXRCSA-N 1 0 346.431 2.394 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272375441 464583606 /nfs/dbraw/zinc/58/36/06/464583606.db2.gz ROQXYPFZJZOFJP-JTQLQIEISA-N 1 0 349.416 2.013 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000294773937 464601016 /nfs/dbraw/zinc/60/10/16/464601016.db2.gz CCKUOCKLBWAMHP-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CC(C)(NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000599929182 468415503 /nfs/dbraw/zinc/41/55/03/468415503.db2.gz YOXMUXSQWPTIBT-AWEZNQCLSA-N 1 0 332.404 2.414 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295084845 464699800 /nfs/dbraw/zinc/69/98/00/464699800.db2.gz IVFHMOZQDLDWHM-LBPRGKRZSA-N 1 0 343.811 2.335 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000286075661 464794254 /nfs/dbraw/zinc/79/42/54/464794254.db2.gz LGWIOEWPFWEEKZ-GFCCVEGCSA-N 1 0 348.403 2.338 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000286253477 464854408 /nfs/dbraw/zinc/85/44/08/464854408.db2.gz FBMUABBFPCSYAQ-GOOCMWNKSA-N 1 0 346.431 2.399 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000183362364 464855677 /nfs/dbraw/zinc/85/56/77/464855677.db2.gz CHFMNTVWPLLKJV-NSHDSACASA-N 1 0 331.376 2.234 20 5 EEBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000286358814 464891873 /nfs/dbraw/zinc/89/18/73/464891873.db2.gz LXANVPOTDGSASW-UHFFFAOYSA-N 1 0 337.420 2.158 20 5 EEBDRO Cc1nc(NCc2ccncc2OCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295697517 464932626 /nfs/dbraw/zinc/93/26/26/464932626.db2.gz PKTJRZBYIYMZHH-UHFFFAOYSA-N 1 0 346.391 2.031 20 5 EEBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286479522 464933014 /nfs/dbraw/zinc/93/30/14/464933014.db2.gz UVYMHFFMVYNJSM-MQVJKMGUSA-N 1 0 346.431 2.399 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000276560067 464979410 /nfs/dbraw/zinc/97/94/10/464979410.db2.gz GGXXLUBOCJHONW-CQSZACIVSA-N 1 0 330.388 2.402 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286712698 465011861 /nfs/dbraw/zinc/01/18/61/465011861.db2.gz BWGRYTUYGSZIQI-MRXNPFEDSA-N 1 0 339.367 2.028 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000348180127 465474890 /nfs/dbraw/zinc/47/48/90/465474890.db2.gz KVNMMJSRBZRANM-GFCCVEGCSA-N 1 0 335.433 2.472 20 5 EEBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298862656 465527577 /nfs/dbraw/zinc/52/75/77/465527577.db2.gz HPMQEPMOJZAFTE-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCOc1ccccc1[N+](=O)[O-] ZINC000371293833 465692915 /nfs/dbraw/zinc/69/29/15/465692915.db2.gz HXUMZGBXXLLMQG-RKVPGOIHSA-N 1 0 349.431 2.157 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330584254 465718008 /nfs/dbraw/zinc/71/80/08/465718008.db2.gz KWWQPNKTXWXCAZ-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000361073761 465746549 /nfs/dbraw/zinc/74/65/49/465746549.db2.gz MNUKKCNNWCVAGJ-CHWSQXEVSA-N 1 0 339.440 2.421 20 5 EEBDRO COC(=O)COc1ccc(C[NH+]2CC(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000348714367 465754063 /nfs/dbraw/zinc/75/40/63/465754063.db2.gz NJCBWENMMWNWQD-UHFFFAOYSA-N 1 0 334.372 2.379 20 5 EEBDRO CNc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125160 465782672 /nfs/dbraw/zinc/78/26/72/465782672.db2.gz VRJSZRYDBODQPS-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000338056215 465786030 /nfs/dbraw/zinc/78/60/30/465786030.db2.gz GKDSBOLMLDBLDY-HIFRSBDPSA-N 1 0 346.431 2.404 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000593993243 468454122 /nfs/dbraw/zinc/45/41/22/468454122.db2.gz FKEFZQYOZMWCCK-SOUVJXGZSA-N 1 0 346.431 2.399 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348921097 465875184 /nfs/dbraw/zinc/87/51/84/465875184.db2.gz QMXWCZDQOVTEIB-QGZVFWFLSA-N 1 0 347.415 2.449 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccco1 ZINC000357323651 465948530 /nfs/dbraw/zinc/94/85/30/465948530.db2.gz MLDULEVDHPDLAY-ZDUSSCGKSA-N 1 0 327.344 2.846 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346181859 465968072 /nfs/dbraw/zinc/96/80/72/465968072.db2.gz BWZGCKUQZFFGSZ-MBNYWOFBSA-N 1 0 349.435 2.073 20 5 EEBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000346252827 466032746 /nfs/dbraw/zinc/03/27/46/466032746.db2.gz ZGPLTZLGOAEJLU-WOSRLPQWSA-N 1 0 347.415 2.406 20 5 EEBDRO Cn1c(Sc2sccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000301999693 466076009 /nfs/dbraw/zinc/07/60/09/466076009.db2.gz IPGFWJNHEKCUCQ-MRVPVSSYSA-N 1 0 325.419 2.403 20 5 EEBDRO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc[nH+]1 ZINC000302332780 466132348 /nfs/dbraw/zinc/13/23/48/466132348.db2.gz UQYLXTPNQAPAJV-UHFFFAOYSA-N 1 0 332.385 2.322 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000357566134 466139051 /nfs/dbraw/zinc/13/90/51/466139051.db2.gz LGYVLHWODGLGHY-VIFPVBQESA-N 1 0 335.451 2.200 20 5 EEBDRO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346847673 466196491 /nfs/dbraw/zinc/19/64/91/466196491.db2.gz PRVSFQFWDJOEEZ-YUTCNCBUSA-N 1 0 335.404 2.171 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1C ZINC000349805321 466249454 /nfs/dbraw/zinc/24/94/54/466249454.db2.gz XCVQGJAASNTQCR-ZDUSSCGKSA-N 1 0 343.449 2.219 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000340681005 466260661 /nfs/dbraw/zinc/26/06/61/466260661.db2.gz ZDLVFNUDVVQWOZ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000354007559 466322845 /nfs/dbraw/zinc/32/28/45/466322845.db2.gz QNJOOFWYIYIYMI-ZDUSSCGKSA-N 1 0 330.388 2.102 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000361931357 466417057 /nfs/dbraw/zinc/41/70/57/466417057.db2.gz VKNPGCCPBMMTNK-INIZCTEOSA-N 1 0 340.383 2.200 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305696426 466426013 /nfs/dbraw/zinc/42/60/13/466426013.db2.gz CBFMAPYLKLJEGB-QMTHXVAHSA-N 1 0 332.360 2.409 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C3CC[NH+](C4CC4)CC3)n2)n1C ZINC000347142903 466426597 /nfs/dbraw/zinc/42/65/97/466426597.db2.gz QMJSAJXFNJGQMG-UHFFFAOYSA-N 1 0 332.364 2.029 20 5 EEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000591678588 468501512 /nfs/dbraw/zinc/50/15/12/468501512.db2.gz AWCYXWFIWPXTOD-KBPBESRZSA-N 1 0 348.447 2.498 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000322380663 466632196 /nfs/dbraw/zinc/63/21/96/466632196.db2.gz NBHBKRJTTCSQSE-UWVGGRQHSA-N 1 0 325.315 2.230 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423646503 466794327 /nfs/dbraw/zinc/79/43/27/466794327.db2.gz URMOUUMQNDDJSM-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO CCCCCNC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365818683 466949486 /nfs/dbraw/zinc/94/94/86/466949486.db2.gz GKXAMZMBJMOLNS-ZDUSSCGKSA-N 1 0 337.424 2.123 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424013287 466951722 /nfs/dbraw/zinc/95/17/22/466951722.db2.gz KKHJYBBGIVCUFV-YPMHNXCESA-N 1 0 332.404 2.226 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000424039031 466960689 /nfs/dbraw/zinc/96/06/89/466960689.db2.gz MSIYQGDKXKMWFR-DOTOQJQBSA-N 1 0 343.358 2.230 20 5 EEBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000424072434 466971671 /nfs/dbraw/zinc/97/16/71/466971671.db2.gz GHYSBYBBXZEJDO-AWEZNQCLSA-N 1 0 340.383 2.313 20 5 EEBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000424081466 466975377 /nfs/dbraw/zinc/97/53/77/466975377.db2.gz VOLMMQUXLKSYGK-HNNXBMFYSA-N 1 0 325.368 2.444 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412063473 466989675 /nfs/dbraw/zinc/98/96/75/466989675.db2.gz BCLCUMJFZJZLDK-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@H]1[C@@H](CO)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066933 466992490 /nfs/dbraw/zinc/99/24/90/466992490.db2.gz DKUJANJHVFZFKY-WDEREUQCSA-N 1 0 341.795 2.280 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417994101 467014482 /nfs/dbraw/zinc/01/44/82/467014482.db2.gz QTNWEJBVROTJHK-JQWIXIFHSA-N 1 0 340.811 2.169 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413174917 467184080 /nfs/dbraw/zinc/18/40/80/467184080.db2.gz UEKUBRPCWTZCLF-YLFCFFPRSA-N 1 0 329.400 2.441 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c(F)c1 ZINC000428562662 467247262 /nfs/dbraw/zinc/24/72/62/467247262.db2.gz GOZOSJMRMHUKML-UHFFFAOYSA-N 1 0 331.351 2.283 20 5 EEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452016034 467305239 /nfs/dbraw/zinc/30/52/39/467305239.db2.gz NBQAOMXNABODPR-GDBMZVCRSA-N 1 0 333.388 2.031 20 5 EEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(CCC(F)(F)F)CC1 ZINC000452115657 467328599 /nfs/dbraw/zinc/32/85/99/467328599.db2.gz KTDIVUBTQJLUQP-UHFFFAOYSA-N 1 0 349.357 2.140 20 5 EEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429514068 467342198 /nfs/dbraw/zinc/34/21/98/467342198.db2.gz XXOYOWMNHSGZLG-CYBMUJFWSA-N 1 0 342.399 2.367 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1OC ZINC000414177310 467386089 /nfs/dbraw/zinc/38/60/89/467386089.db2.gz FZXOLFWCEAAEQD-BZPMIXESSA-N 1 0 326.418 2.469 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414504183 467416306 /nfs/dbraw/zinc/41/63/06/467416306.db2.gz XOPTUORHCHXKQX-JQWIXIFHSA-N 1 0 340.401 2.130 20 5 EEBDRO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420752164 467472783 /nfs/dbraw/zinc/47/27/83/467472783.db2.gz XUWKGYLZCPIGBI-UHFFFAOYSA-N 1 0 341.433 2.054 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC000453271034 467475135 /nfs/dbraw/zinc/47/51/35/467475135.db2.gz FYCWNPCUPQHXKG-NEPJUHHUSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[NH2+]1 ZINC000430921682 467475616 /nfs/dbraw/zinc/47/56/16/467475616.db2.gz UVGGTAPLJYHPNN-STQMWFEESA-N 1 0 330.388 2.475 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618396 467480547 /nfs/dbraw/zinc/48/05/47/467480547.db2.gz SPDNYHYZJRWIAY-CYBMUJFWSA-N 1 0 331.376 2.219 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405353836 467480811 /nfs/dbraw/zinc/48/08/11/467480811.db2.gz PWPVYJRWFQVKOL-AAEUAGOBSA-N 1 0 341.433 2.041 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CNCCO2)s1 ZINC000415095320 467488326 /nfs/dbraw/zinc/48/83/26/467488326.db2.gz LXRCOQPIDBAVQL-LBPRGKRZSA-N 1 0 333.413 2.401 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000449225837 467624416 /nfs/dbraw/zinc/62/44/16/467624416.db2.gz PIERYZUPTKLEJG-STQMWFEESA-N 1 0 331.372 2.413 20 5 EEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000493606124 467946764 /nfs/dbraw/zinc/94/67/64/467946764.db2.gz PDYKODXGCFFRIJ-RDJZCZTQSA-N 1 0 349.387 2.034 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000494097423 468027539 /nfs/dbraw/zinc/02/75/39/468027539.db2.gz GUBKJNZYALPAKL-UHFFFAOYSA-N 1 0 337.424 2.055 20 5 EEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000516453435 468028387 /nfs/dbraw/zinc/02/83/87/468028387.db2.gz MWJSKLBDERVVBU-CYBMUJFWSA-N 1 0 345.403 2.099 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494204375 468036845 /nfs/dbraw/zinc/03/68/45/468036845.db2.gz JDKCRBGFWMHULT-MEDUHNTESA-N 1 0 337.376 2.089 20 5 EEBDRO COc1ccc(OCCN2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488020809 468067896 /nfs/dbraw/zinc/06/78/96/468067896.db2.gz CKMAPMYDYKELAV-MRXNPFEDSA-N 1 0 337.420 2.254 20 5 EEBDRO COCCSCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488235698 468078526 /nfs/dbraw/zinc/07/85/26/468078526.db2.gz VRUSRCRLNSPCRB-ZDUSSCGKSA-N 1 0 340.449 2.246 20 5 EEBDRO CC1(C)C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000517359586 468081900 /nfs/dbraw/zinc/08/19/00/468081900.db2.gz JAMZPOTXGRHXIY-DZGCQCFKSA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000517622842 468091116 /nfs/dbraw/zinc/09/11/16/468091116.db2.gz NCJRABLXIUOLPT-MGPQQGTHSA-N 1 0 335.404 2.351 20 5 EEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000533022597 468162418 /nfs/dbraw/zinc/16/24/18/468162418.db2.gz YRXUHPWLRHQONX-LLVKDONJSA-N 1 0 339.392 2.287 20 5 EEBDRO CC1CC[NH+](C2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000549210491 468176239 /nfs/dbraw/zinc/17/62/39/468176239.db2.gz KWMMOMCHOUNJHA-UHFFFAOYSA-N 1 0 335.408 2.091 20 5 EEBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549773216 468196486 /nfs/dbraw/zinc/19/64/86/468196486.db2.gz LTXYDAYRVMFFNI-UHFFFAOYSA-N 1 0 335.408 2.094 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590035554 468206057 /nfs/dbraw/zinc/20/60/57/468206057.db2.gz DOOPDASMROUJMI-AWEZNQCLSA-N 1 0 349.431 2.099 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594200396 468510581 /nfs/dbraw/zinc/51/05/81/468510581.db2.gz LSDWZZMCLQUUMR-HUUCEWRRSA-N 1 0 347.415 2.497 20 5 EEBDRO CCOC(=O)Cc1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000591912140 468565484 /nfs/dbraw/zinc/56/54/84/468565484.db2.gz YHQHAJFNYOIHJQ-MRXNPFEDSA-N 1 0 335.404 2.453 20 5 EEBDRO CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000591968838 468586149 /nfs/dbraw/zinc/58/61/49/468586149.db2.gz GXTOWSUNUAKQSW-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000594504396 468611384 /nfs/dbraw/zinc/61/13/84/468611384.db2.gz MJGQSIXWHHXCBQ-JKSUJKDBSA-N 1 0 342.399 2.438 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594598712 468631514 /nfs/dbraw/zinc/63/15/14/468631514.db2.gz HQEZMEYAVPPOIY-HOTGVXAUSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253549 468665275 /nfs/dbraw/zinc/66/52/75/468665275.db2.gz IUXOCXKWPGTCPF-LSDHHAIUSA-N 1 0 347.415 2.212 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(-c2nc([C@H]3CCC[NH2+]3)no2)cc1OC ZINC000592356675 468682395 /nfs/dbraw/zinc/68/23/95/468682395.db2.gz DLDNTULWDFUOLX-SNVBAGLBSA-N 1 0 334.332 2.477 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594817558 468695923 /nfs/dbraw/zinc/69/59/23/468695923.db2.gz SUCOXPXNSFHDHM-VIFPVBQESA-N 1 0 349.840 2.175 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594993309 468739990 /nfs/dbraw/zinc/73/99/90/468739990.db2.gz NTBBZSJXBHAZTA-KRWDZBQOSA-N 1 0 349.431 2.336 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598265377 468811516 /nfs/dbraw/zinc/81/15/16/468811516.db2.gz SNRMDDSWZJMPHU-GFCCVEGCSA-N 1 0 337.424 2.121 20 5 EEBDRO Cc1sc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595346900 468819395 /nfs/dbraw/zinc/81/93/95/468819395.db2.gz XVNIDNJHHDJXDP-LLVKDONJSA-N 1 0 347.462 2.070 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595346760 468819662 /nfs/dbraw/zinc/81/96/62/468819662.db2.gz WBKVVARTERRRTR-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)O[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000593053203 468852584 /nfs/dbraw/zinc/85/25/84/468852584.db2.gz QENYCUQXQWEFGN-NVXWUHKLSA-N 1 0 338.404 2.224 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595451102 468857480 /nfs/dbraw/zinc/85/74/80/468857480.db2.gz RFARACAWLHSQNN-ZBFHGGJFSA-N 1 0 326.368 2.390 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598540456 468906721 /nfs/dbraw/zinc/90/67/21/468906721.db2.gz JZAHIMKIYXHNLK-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598557142 468911627 /nfs/dbraw/zinc/91/16/27/468911627.db2.gz BHVUSFFTQFNRIX-CQSZACIVSA-N 1 0 347.415 2.455 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598571222 468918194 /nfs/dbraw/zinc/91/81/94/468918194.db2.gz HZDSSVJEGIIFKI-AWEZNQCLSA-N 1 0 335.404 2.452 20 5 EEBDRO CC(C)(O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000610433156 468966518 /nfs/dbraw/zinc/96/65/18/468966518.db2.gz ZUEDCLQFRWNZFK-UHFFFAOYSA-N 1 0 326.368 2.486 20 5 EEBDRO COC1CC[NH+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000610573513 469007076 /nfs/dbraw/zinc/00/70/76/469007076.db2.gz UBQKQXOFUZLBNQ-UHFFFAOYSA-N 1 0 348.403 2.002 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000598913824 469047377 /nfs/dbraw/zinc/04/73/77/469047377.db2.gz PBNRPUOIXAVCPR-CQSZACIVSA-N 1 0 342.783 2.138 20 5 EEBDRO COCC[N@H+](C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000593705059 469102586 /nfs/dbraw/zinc/10/25/86/469102586.db2.gz KNPPFQSNIRJHDC-CYBMUJFWSA-N 1 0 335.326 2.366 20 5 EEBDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000601969438 469117938 /nfs/dbraw/zinc/11/79/38/469117938.db2.gz RBSHZDXGMRQFBT-ZWNOBZJWSA-N 1 0 337.401 2.450 20 5 EEBDRO Cc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000563000836 469130672 /nfs/dbraw/zinc/13/06/72/469130672.db2.gz OZAMIHGYXGMLQY-UHFFFAOYSA-N 1 0 328.372 2.459 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000599138930 469133452 /nfs/dbraw/zinc/13/34/52/469133452.db2.gz KUSZLKIZJRMUGD-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599141864 469134991 /nfs/dbraw/zinc/13/49/91/469134991.db2.gz SPFIOWFCRMTSIN-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[N@H+](CCCNC(=O)c1c([N+](=O)[O-])cnn1C)C1CCCCC1 ZINC000593786036 469136809 /nfs/dbraw/zinc/13/68/09/469136809.db2.gz HFXYOKGSKJJDMM-UHFFFAOYSA-N 1 0 337.424 2.103 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NCCC[NH+]2CCC(O)CC2)c1 ZINC000596084511 469147076 /nfs/dbraw/zinc/14/70/76/469147076.db2.gz AJSNRKNSEXRQRN-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EEBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611092472 469160261 /nfs/dbraw/zinc/16/02/61/469160261.db2.gz VDSCBXMEXKUEHL-JSGCOSHPSA-N 1 0 334.420 2.256 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602960754 469192107 /nfs/dbraw/zinc/19/21/07/469192107.db2.gz PDFSUEVFGTWPRC-UHFFFAOYSA-N 1 0 335.408 2.060 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000602998030 469213170 /nfs/dbraw/zinc/21/31/70/469213170.db2.gz WGEDQLKCVMQKHW-IKGGRYGDSA-N 1 0 347.415 2.183 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)C1)OCCO2 ZINC000611261572 469213410 /nfs/dbraw/zinc/21/34/10/469213410.db2.gz MYKARHKSMHNOND-HNNXBMFYSA-N 1 0 347.415 2.426 20 5 EEBDRO CCCN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232613 469214996 /nfs/dbraw/zinc/21/49/96/469214996.db2.gz QSYLKPVYJWVKDY-UHFFFAOYSA-N 1 0 334.420 2.396 20 5 EEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588777 469301039 /nfs/dbraw/zinc/30/10/39/469301039.db2.gz KLLKTYUHPSPGMZ-JSGCOSHPSA-N 1 0 338.408 2.091 20 5 EEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588779 469302027 /nfs/dbraw/zinc/30/20/27/469302027.db2.gz KLLKTYUHPSPGMZ-TZMCWYRMSA-N 1 0 338.408 2.091 20 5 EEBDRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602475951 469331772 /nfs/dbraw/zinc/33/17/72/469331772.db2.gz UKZXELZRPDXZHQ-MRXNPFEDSA-N 1 0 334.420 2.007 20 5 EEBDRO Cc1nn(CCCN2CC[NH+](C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603327756 469349272 /nfs/dbraw/zinc/34/92/72/469349272.db2.gz RCIVKDZRQDKAGM-UHFFFAOYSA-N 1 0 346.435 2.064 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000602528661 469350514 /nfs/dbraw/zinc/35/05/14/469350514.db2.gz PAGKCLUJGJQXGV-MRXNPFEDSA-N 1 0 332.404 2.239 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000604504648 469484290 /nfs/dbraw/zinc/48/42/90/469484290.db2.gz QTGSPAMHFJJOIZ-MCIONIFRSA-N 1 0 334.420 2.411 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000619584068 469645273 /nfs/dbraw/zinc/64/52/73/469645273.db2.gz VSPGOAQCXXFIPF-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+]([C@@H]4CCCOC4)CC3)nc2c1 ZINC000614185849 469873441 /nfs/dbraw/zinc/87/34/41/469873441.db2.gz PADXNJIAWRMVCS-CQSZACIVSA-N 1 0 345.403 2.162 20 5 EEBDRO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610022233 469975592 /nfs/dbraw/zinc/97/55/92/469975592.db2.gz FQZRYSQVWWWPRE-CYBMUJFWSA-N 1 0 349.435 2.036 20 5 EEBDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000610336854 470004834 /nfs/dbraw/zinc/00/48/34/470004834.db2.gz PFFJTTFCNPBZDG-MBNYWOFBSA-N 1 0 326.418 2.160 20 5 EEBDRO CSC1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000601587914 485632933 /nfs/dbraw/zinc/63/29/33/485632933.db2.gz HUQMRQRJWATDQD-UHFFFAOYSA-N 1 0 341.408 2.291 20 5 EEBDRO CNC(=O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264943733 536490101 /nfs/dbraw/zinc/49/01/01/536490101.db2.gz HPCLBUVTNZBULO-UHFFFAOYSA-N 1 0 334.401 2.334 20 5 EEBDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181228636 529157095 /nfs/dbraw/zinc/15/70/95/529157095.db2.gz OGPHYXGMYVUJOY-CQSZACIVSA-N 1 0 326.418 2.460 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000730773553 577055071 /nfs/dbraw/zinc/05/50/71/577055071.db2.gz GIUAQJPJMPTGHT-ZDUSSCGKSA-N 1 0 344.415 2.162 20 5 EEBDRO C[C@@H](Cn1cccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772950782 577307295 /nfs/dbraw/zinc/30/72/95/577307295.db2.gz LDBROOWUEYBMBZ-AWEZNQCLSA-N 1 0 329.404 2.438 20 5 EEBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591683 577463585 /nfs/dbraw/zinc/46/35/85/577463585.db2.gz UGLJOGORCSHARQ-DOTOQJQBSA-N 1 0 330.388 2.371 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776778636 577468045 /nfs/dbraw/zinc/46/80/45/577468045.db2.gz SXTKRYLYVAXMIX-CQSZACIVSA-N 1 0 347.371 2.351 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)Cc1cnccn1 ZINC000765444578 577501199 /nfs/dbraw/zinc/50/11/99/577501199.db2.gz YENFLYMVQOGRMG-CHWSQXEVSA-N 1 0 343.387 2.323 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000770712192 577602284 /nfs/dbraw/zinc/60/22/84/577602284.db2.gz XDQAJIHSGJZBBN-HNNXBMFYSA-N 1 0 342.779 2.450 20 5 EEBDRO CC1(C)OCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000757702578 577862710 /nfs/dbraw/zinc/86/27/10/577862710.db2.gz DMUMTSOVORYTIP-UHFFFAOYSA-N 1 0 335.404 2.305 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000744414606 577897405 /nfs/dbraw/zinc/89/74/05/577897405.db2.gz SLPFWQAYNAGANS-HNNXBMFYSA-N 1 0 332.404 2.252 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCn2cnc3ccccc32)c1 ZINC000749683682 577979858 /nfs/dbraw/zinc/97/98/58/577979858.db2.gz QJQIHRZHFWAIFO-QGZVFWFLSA-N 1 0 326.356 2.268 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074395 577986736 /nfs/dbraw/zinc/98/67/36/577986736.db2.gz YFTNBGPJXKHZFK-CRAIPNDOSA-N 1 0 333.432 2.292 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000736137192 578182706 /nfs/dbraw/zinc/18/27/06/578182706.db2.gz IREDYSWYZKWSLY-JTQLQIEISA-N 1 0 333.396 2.163 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823635089 606416992 /nfs/dbraw/zinc/41/69/92/606416992.db2.gz RARBCBSKAKEWQW-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021055621 675698432 /nfs/dbraw/zinc/69/84/32/675698432.db2.gz FXJOBELAOSIZLB-SHTZXODSSA-N 1 0 342.399 2.467 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001021774776 676434622 /nfs/dbraw/zinc/43/46/22/676434622.db2.gz VOLRYPULNLEOGQ-GASCZTMLSA-N 1 0 326.356 2.040 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC(F)(F)C1 ZINC001021950109 676560135 /nfs/dbraw/zinc/56/01/35/676560135.db2.gz OIXMVGOGCKCBDO-BETUJISGSA-N 1 0 339.342 2.377 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1=O ZINC000891847325 676862464 /nfs/dbraw/zinc/86/24/64/676862464.db2.gz WZNANINQTRAKBD-DZGCQCFKSA-N 1 0 342.399 2.485 20 5 EEBDRO CC(C)N(CC(=O)N1CCO[C@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434492 681598640 /nfs/dbraw/zinc/59/86/40/681598640.db2.gz XQNONLLTWVQSLK-CQSZACIVSA-N 1 0 335.404 2.053 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310745712 681656051 /nfs/dbraw/zinc/65/60/51/681656051.db2.gz GZIAUSBMZCOCQI-HKUYNNGSSA-N 1 0 341.411 2.492 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=COCCC1 ZINC000983294256 682199855 /nfs/dbraw/zinc/19/98/55/682199855.db2.gz JERWABVVMCVBNQ-KOMQPUFPSA-N 1 0 345.399 2.274 20 5 EEBDRO COCC[N@H+](C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000311904076 682863259 /nfs/dbraw/zinc/86/32/59/682863259.db2.gz QYPIRYFIPIPYSR-UHFFFAOYSA-N 1 0 332.198 2.347 20 5 EEBDRO Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025679804 683231790 /nfs/dbraw/zinc/23/17/90/683231790.db2.gz WGEZOMGFYWRDBJ-ZSHCYNCHSA-N 1 0 341.367 2.356 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(F)c1 ZINC001020064462 683537807 /nfs/dbraw/zinc/53/78/07/683537807.db2.gz TYCWZQZTSVLGHR-SHTZXODSSA-N 1 0 344.346 2.180 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)n1 ZINC000893012014 683553297 /nfs/dbraw/zinc/55/32/97/683553297.db2.gz FPEBFHVRFLKCII-OLZOCXBDSA-N 1 0 337.424 2.146 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000893050840 683642583 /nfs/dbraw/zinc/64/25/83/683642583.db2.gz RTTPALAFHPOXGR-HNNXBMFYSA-N 1 0 349.431 2.394 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1 ZINC001029303526 683934973 /nfs/dbraw/zinc/93/49/73/683934973.db2.gz QOCJLAMFKQXUMZ-HDCSCYFTSA-N 1 0 341.411 2.040 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000893266868 684405739 /nfs/dbraw/zinc/40/57/39/684405739.db2.gz UWOMWCMCNPPIIJ-UHFFFAOYSA-N 1 0 346.431 2.453 20 5 EEBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000895319355 684486781 /nfs/dbraw/zinc/48/67/81/684486781.db2.gz WZHBIQNFJJVRAE-HNNXBMFYSA-N 1 0 329.356 2.469 20 5 EEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985285413 686220415 /nfs/dbraw/zinc/22/04/15/686220415.db2.gz AEZUTNKDYKXZCY-UHFFFAOYSA-N 1 0 349.416 2.116 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000897846440 691800420 /nfs/dbraw/zinc/80/04/20/691800420.db2.gz JVXWHCRGAPDVON-ABAIWWIYSA-N 1 0 342.399 2.495 20 5 EEBDRO CN1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1(C)C ZINC000893467481 692118804 /nfs/dbraw/zinc/11/88/04/692118804.db2.gz UDPRRPIPTXCYTO-UHFFFAOYSA-N 1 0 342.399 2.496 20 5 EEBDRO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001126936947 1189067810 /nfs/dbraw/zinc/06/78/10/1189067810.db2.gz YAYWRMVRSWVTOH-NVXWUHKLSA-N 1 0 333.432 2.100 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000905617223 1189820008 /nfs/dbraw/zinc/82/00/08/1189820008.db2.gz OOQARHQHELTJBI-MRXNPFEDSA-N 1 0 344.367 2.059 20 5 EEBDRO Cc1ccc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005376247 1195293098 /nfs/dbraw/zinc/29/30/98/1195293098.db2.gz RCPYRILRQKREKF-QZTJIDSGSA-N 1 0 345.443 2.126 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C2CCCC2)CC1 ZINC001034579664 1196401822 /nfs/dbraw/zinc/40/18/22/1196401822.db2.gz BNVOSFDXCKIUKU-HDJSIYSDSA-N 1 0 349.435 2.036 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876688348 1199723128 /nfs/dbraw/zinc/72/31/28/1199723128.db2.gz ROYFVCYKBFYDTA-ZWKOTPCHSA-N 1 0 333.432 2.243 20 5 EEBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000877343456 1199908370 /nfs/dbraw/zinc/90/83/70/1199908370.db2.gz YELGFKCSEXADIY-HNNXBMFYSA-N 1 0 343.358 2.487 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000811803860 1200320181 /nfs/dbraw/zinc/32/01/81/1200320181.db2.gz UEVOIKCRAIEOHJ-JTQLQIEISA-N 1 0 340.380 2.446 20 5 EEBDRO COc1ccc([C@@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879522165 1201118948 /nfs/dbraw/zinc/11/89/48/1201118948.db2.gz GJCCGPODMFCFEW-AWEZNQCLSA-N 1 0 332.360 2.046 20 5 EEBDRO COc1ccc([C@H]2CN(Cc3onc(C)c3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879522167 1201119399 /nfs/dbraw/zinc/11/93/99/1201119399.db2.gz GJCCGPODMFCFEW-CQSZACIVSA-N 1 0 332.360 2.046 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000880208654 1201422091 /nfs/dbraw/zinc/42/20/91/1201422091.db2.gz ULWZKYSSRGSBND-OAHLLOKOSA-N 1 0 337.395 2.467 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000866261444 1201479174 /nfs/dbraw/zinc/47/91/74/1201479174.db2.gz TWIGDAVPOLVMIX-WQVCFCJDSA-N 1 0 337.395 2.118 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCOC(C)(C)C1 ZINC000866260899 1201479224 /nfs/dbraw/zinc/47/92/24/1201479224.db2.gz PBRSYJOMEBLOKD-CYBMUJFWSA-N 1 0 339.411 2.365 20 5 EEBDRO COc1ccc(C[N@H+](CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000880571142 1201526074 /nfs/dbraw/zinc/52/60/74/1201526074.db2.gz MCOIPTFTSZRFGT-SFHVURJKSA-N 1 0 346.383 2.131 20 5 EEBDRO Cc1nn(CN2CC[NH+](CC3CC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121111975 1201541925 /nfs/dbraw/zinc/54/19/25/1201541925.db2.gz ZHWAYTPJCIPNOW-UHFFFAOYSA-N 1 0 329.404 2.238 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882814456 1201949832 /nfs/dbraw/zinc/94/98/32/1201949832.db2.gz LTCXJWSRFVJUEF-UHFFFAOYSA-N 1 0 346.431 2.213 20 5 EEBDRO CC1(C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000884350949 1202299360 /nfs/dbraw/zinc/29/93/60/1202299360.db2.gz GGHKQMIDNOSFJJ-WDEREUQCSA-N 1 0 331.294 2.469 20 5 EEBDRO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000886266852 1202486152 /nfs/dbraw/zinc/48/61/52/1202486152.db2.gz AFOYHAIHEQXORW-KRWDZBQOSA-N 1 0 326.400 2.349 20 5 EEBDRO CC[C@H](CO)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000930366506 1205566511 /nfs/dbraw/zinc/56/65/11/1205566511.db2.gz GWCLTCUJMIXIPS-SECBINFHSA-N 1 0 329.194 2.486 20 5 EEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000926150189 1206198961 /nfs/dbraw/zinc/19/89/61/1206198961.db2.gz HFHRZXQIEIDZCZ-JTQLQIEISA-N 1 0 332.809 2.118 20 5 EEBDRO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000930767503 1206581365 /nfs/dbraw/zinc/58/13/65/1206581365.db2.gz AFJBLEMLYWUZMR-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000931047514 1206602799 /nfs/dbraw/zinc/60/27/99/1206602799.db2.gz ZZPNQFZGLNULNP-GXFFZTMASA-N 1 0 340.811 2.211 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000931199049 1206614664 /nfs/dbraw/zinc/61/46/64/1206614664.db2.gz UGJLTUKKHOHKEP-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)co2)cc1 ZINC000932000282 1207506956 /nfs/dbraw/zinc/50/69/56/1207506956.db2.gz BWTHOFKIQRDMID-CYBMUJFWSA-N 1 0 345.355 2.445 20 5 EEBDRO Cc1cc(NC2CC[NH+](CCNC(=O)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001111310239 1210113101 /nfs/dbraw/zinc/11/31/01/1210113101.db2.gz SSXHFVHQLYGKFU-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO CCN(CCCNC(=O)C[NH+](CC)CC)c1ccccc1[N+](=O)[O-] ZINC001095884659 1213699739 /nfs/dbraw/zinc/69/97/39/1213699739.db2.gz MDRZYCPKSBGMQW-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000119562056 1229547265 /nfs/dbraw/zinc/54/72/65/1229547265.db2.gz CWBLTWMYGICXNE-QWRGUYRKSA-N 1 0 347.462 2.055 20 5 EEBDRO Cc1cc(C)cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001045436151 1233744346 /nfs/dbraw/zinc/74/43/46/1233744346.db2.gz JXUNUJIZCUNCLM-IAGOWNOFSA-N 1 0 345.443 2.439 20 5 EEBDRO Cc1cc(F)ccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437727 1233745483 /nfs/dbraw/zinc/74/54/83/1233745483.db2.gz ZWODRCYLTHLWOM-HZPDHXFCSA-N 1 0 349.406 2.270 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801803550 1236215001 /nfs/dbraw/zinc/21/50/01/1236215001.db2.gz AGOVTMGTGWJILZ-UHFFFAOYSA-N 1 0 338.383 2.261 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801909443 1236402228 /nfs/dbraw/zinc/40/22/28/1236402228.db2.gz BWSWWDCWCCTWPW-MNOVXSKESA-N 1 0 338.383 2.261 20 5 EEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000902544003 1237848947 /nfs/dbraw/zinc/84/89/47/1237848947.db2.gz VIMRHDXBFAASCL-AWEZNQCLSA-N 1 0 348.403 2.122 20 5 EEBDRO O=C(C1CC=CC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048733704 1238465695 /nfs/dbraw/zinc/46/56/95/1238465695.db2.gz BHDIDBIVHVSBRR-CALCHBBNSA-N 1 0 341.411 2.451 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325370 1243350978 /nfs/dbraw/zinc/35/09/78/1243350978.db2.gz AFZGTLYTHOHRRD-NMFUWQPSSA-N 1 0 337.445 2.178 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCCN(c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001101437382 1245823043 /nfs/dbraw/zinc/82/30/43/1245823043.db2.gz SLWJYJSFBAEFAT-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C[N@@H+](C)C3CCC3)CC2)c1 ZINC001110383685 1279177904 /nfs/dbraw/zinc/17/79/04/1279177904.db2.gz TYCFXGORWDULTK-UHFFFAOYSA-N 1 0 346.431 2.448 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853499013 1292401069 /nfs/dbraw/zinc/40/10/69/1292401069.db2.gz HCIQIZTWEAKEDS-AWEZNQCLSA-N 1 0 344.419 2.084 20 5 EEBDRO CO[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H]1C ZINC000853516686 1292406236 /nfs/dbraw/zinc/40/62/36/1292406236.db2.gz NTUWVXHIFAAPLD-DOMZBBRYSA-N 1 0 331.376 2.168 20 5 EEBDRO COc1cc(NCCN2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800178 1292458730 /nfs/dbraw/zinc/45/87/30/1292458730.db2.gz TWFVYIXNYCQBAP-VXGBXAGGSA-N 1 0 339.392 2.133 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000856072450 1293396997 /nfs/dbraw/zinc/39/69/97/1293396997.db2.gz AIOAQGMDTJTLTJ-LBPRGKRZSA-N 1 0 327.331 2.287 20 5 EEBDRO C[NH2+]C1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCC1 ZINC000856763042 1293624438 /nfs/dbraw/zinc/62/44/38/1293624438.db2.gz XHJBPZRTNBYEGJ-UHFFFAOYSA-N 1 0 349.359 2.145 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000859853310 1294669533 /nfs/dbraw/zinc/66/95/33/1294669533.db2.gz CMECQPDDIOJPIO-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC4(C3)OCCO4)CC2)cc1 ZINC000927005823 1296988925 /nfs/dbraw/zinc/98/89/25/1296988925.db2.gz QKCCAWYVMURRNH-UHFFFAOYSA-N 1 0 347.415 2.306 20 5 EEBDRO Cc1nc(O[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001218043967 1297556159 /nfs/dbraw/zinc/55/61/59/1297556159.db2.gz OYFGOSXZQBCQFT-RDDDGLTNSA-N 1 0 330.182 2.438 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(F)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001225385494 1300982032 /nfs/dbraw/zinc/98/20/32/1300982032.db2.gz SOHXVBZGULLQGT-SPGJAERMSA-N 1 0 338.335 2.280 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231175607 1303665929 /nfs/dbraw/zinc/66/59/29/1303665929.db2.gz HTHJSFAARXKCJE-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000797435105 1304740699 /nfs/dbraw/zinc/74/06/99/1304740699.db2.gz MZSIUZNYBJURGF-UHFFFAOYSA-N 1 0 346.362 2.086 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000798141771 1304926557 /nfs/dbraw/zinc/92/65/57/1304926557.db2.gz RBSZWSRIBALDKO-LBPRGKRZSA-N 1 0 336.348 2.059 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001118736625 1308935838 /nfs/dbraw/zinc/93/58/38/1308935838.db2.gz XGDQGDGSXVJBKB-NSHDSACASA-N 1 0 336.348 2.026 20 5 EEBDRO Cc1ncccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248214932 1310864054 /nfs/dbraw/zinc/86/40/54/1310864054.db2.gz XJYUMRXONRJHNN-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000840091732 1315291018 /nfs/dbraw/zinc/29/10/18/1315291018.db2.gz NSAAUUPFDBHQPF-INIZCTEOSA-N 1 0 329.404 2.442 20 5 EEBDRO [NH3+]C1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000841160749 1315492906 /nfs/dbraw/zinc/49/29/06/1315492906.db2.gz GBFFJPVEIZPQJD-UHFFFAOYSA-N 1 0 343.181 2.360 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000841753873 1315608901 /nfs/dbraw/zinc/60/89/01/1315608901.db2.gz FXVJBLZHACLXKO-DLBZAZTESA-N 1 0 330.388 2.419 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841855221 1315624649 /nfs/dbraw/zinc/62/46/49/1315624649.db2.gz IMGUQTIAMZCTBD-VHSXEESVSA-N 1 0 326.784 2.127 20 5 EEBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843352548 1315897438 /nfs/dbraw/zinc/89/74/38/1315897438.db2.gz MTGPFFJZJRCNBS-PWSUYJOCSA-N 1 0 338.795 2.013 20 5 EEBDRO COc1cccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001149791795 1316049888 /nfs/dbraw/zinc/04/98/88/1316049888.db2.gz CTDZIFYASYBHJA-UHFFFAOYSA-N 1 0 349.412 2.113 20 5 EEBDRO O=C(CCOc1ccccc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150923129 1316410865 /nfs/dbraw/zinc/41/08/65/1316410865.db2.gz PGPXWWJSSSALGH-UHFFFAOYSA-N 1 0 343.383 2.270 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1scnc1Cl ZINC001151239506 1316485295 /nfs/dbraw/zinc/48/52/95/1316485295.db2.gz GXLQQBMTKAQDGQ-UHFFFAOYSA-N 1 0 346.821 2.286 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1Cl ZINC001155584206 1317659743 /nfs/dbraw/zinc/65/97/43/1317659743.db2.gz WMWKPQLDRGMLAN-VGMNWLOBSA-N 1 0 332.738 2.280 20 5 EEBDRO CN(C(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001254464512 1318080175 /nfs/dbraw/zinc/08/01/75/1318080175.db2.gz GQGSRCHARCINIP-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO COC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254473550 1318082898 /nfs/dbraw/zinc/08/28/98/1318082898.db2.gz FEBHTUZMMMAWKJ-UHFFFAOYSA-N 1 0 347.415 2.449 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254586641 1318135058 /nfs/dbraw/zinc/13/50/58/1318135058.db2.gz REZQDICJGSQAEV-OAHLLOKOSA-N 1 0 327.340 2.033 20 5 EEBDRO CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254593729 1318135987 /nfs/dbraw/zinc/13/59/87/1318135987.db2.gz AXWBTRXUXDSJGZ-SJORKVTESA-N 1 0 343.427 2.252 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1)C2 ZINC001254592673 1318137177 /nfs/dbraw/zinc/13/71/77/1318137177.db2.gz FNMRXVYNIKAPJE-XBFCOCLRSA-N 1 0 330.306 2.165 20 5 EEBDRO O=C([C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCC1 ZINC001254597417 1318138789 /nfs/dbraw/zinc/13/87/89/1318138789.db2.gz DLVYLLFSVNMNSQ-CRAIPNDOSA-N 1 0 343.427 2.396 20 5 EEBDRO O=C1CCCN1C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607720 1318142459 /nfs/dbraw/zinc/14/24/59/1318142459.db2.gz MOHJJJYWWJOXEX-KRWDZBQOSA-N 1 0 329.400 2.149 20 5 EEBDRO COc1cc2ncnc(N(C)[C@@]3(C)CCC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001156967998 1318317203 /nfs/dbraw/zinc/31/72/03/1318317203.db2.gz NEWJTRGQOYWOLC-INIZCTEOSA-N 1 0 331.376 2.125 20 5 EEBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084258 1318642648 /nfs/dbraw/zinc/64/26/48/1318642648.db2.gz XQQPIVPXMKRDMJ-CJNGLKHVSA-N 1 0 349.431 2.323 20 5 EEBDRO CCC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087767 1318644037 /nfs/dbraw/zinc/64/40/37/1318644037.db2.gz OQTNQQZHDQCWNM-CQSZACIVSA-N 1 0 337.420 2.323 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCCC34COC4)CC2)ccc1[N+](=O)[O-] ZINC001256098650 1318647204 /nfs/dbraw/zinc/64/72/04/1318647204.db2.gz CJOISELXEKXTLS-UHFFFAOYSA-N 1 0 347.415 2.437 20 5 EEBDRO Cc1nc(Cl)nc(N2CCCC[C@@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157469060 1318660728 /nfs/dbraw/zinc/66/07/28/1318660728.db2.gz WVCAXKUYSBKRCA-AWEZNQCLSA-N 1 0 325.800 2.459 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@]23CCC[NH2+]C3)n1 ZINC001157467220 1318660883 /nfs/dbraw/zinc/66/08/83/1318660883.db2.gz FKCWEAPVVBMJRF-CQSZACIVSA-N 1 0 325.800 2.459 20 5 EEBDRO Cc1c(C)c(C)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001157767153 1318848052 /nfs/dbraw/zinc/84/80/52/1318848052.db2.gz ILZTTWJMVCHACV-SJLPKXTDSA-N 1 0 347.459 2.490 20 5 EEBDRO C[N@H+](C1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158731206 1319406853 /nfs/dbraw/zinc/40/68/53/1319406853.db2.gz HJVPLUBQUVOZDF-QMMMGPOBSA-N 1 0 347.202 2.206 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3cccc([N+](=O)[O-])c3n2)O1 ZINC001159239932 1319699834 /nfs/dbraw/zinc/69/98/34/1319699834.db2.gz JSWUCMYWDCFOST-CKEIUWERSA-N 1 0 346.387 2.280 20 5 EEBDRO COc1ncnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001159948450 1320030827 /nfs/dbraw/zinc/03/08/27/1320030827.db2.gz KFNYSQQNKBEXSA-SNVBAGLBSA-N 1 0 339.355 2.153 20 5 EEBDRO C[NH+]1CCN(CCCNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)CC1 ZINC001161705457 1320594702 /nfs/dbraw/zinc/59/47/02/1320594702.db2.gz IHWZEFXGQULMJN-UHFFFAOYSA-N 1 0 347.394 2.332 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162795900 1320960462 /nfs/dbraw/zinc/96/04/62/1320960462.db2.gz BCMXRBHSKRAVCT-LYFYHCNISA-N 1 0 349.700 2.243 20 5 EEBDRO O=[N+]([O-])c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cn2ccnc12 ZINC001163059831 1321025810 /nfs/dbraw/zinc/02/58/10/1321025810.db2.gz HMSMJEOCFHEEDF-CYBMUJFWSA-N 1 0 340.387 2.266 20 5 EEBDRO Cc1ccc2c(ccnc2NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001163094189 1321033838 /nfs/dbraw/zinc/03/38/38/1321033838.db2.gz ISHNAYIGDPSYKX-KCPJHIHWSA-N 1 0 328.372 2.098 20 5 EEBDRO Cc1nc(-n2c3ccccc3nc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001163763787 1321212255 /nfs/dbraw/zinc/21/22/55/1321212255.db2.gz PTQFFBNCPCKLSQ-UHFFFAOYSA-N 1 0 338.371 2.499 20 5 EEBDRO COc1cnc(NCc2cccnc2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001163907547 1321244988 /nfs/dbraw/zinc/24/49/88/1321244988.db2.gz BTUVSANWNRYEOF-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@@H]43)nn2)ccc1F ZINC001165397806 1321516470 /nfs/dbraw/zinc/51/64/70/1321516470.db2.gz XKZLSYMDOUMUOX-HIFRSBDPSA-N 1 0 329.335 2.132 20 5 EEBDRO Cc1c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1C ZINC001166163272 1321667055 /nfs/dbraw/zinc/66/70/55/1321667055.db2.gz AQNYKMJPEDWDPG-UHFFFAOYSA-N 1 0 330.388 2.151 20 5 EEBDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001166959243 1321825955 /nfs/dbraw/zinc/82/59/55/1321825955.db2.gz CLKPOLWTQKACRQ-LLVKDONJSA-N 1 0 331.351 2.237 20 5 EEBDRO Cc1cc(NC(=O)CCN2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001264011056 1322583891 /nfs/dbraw/zinc/58/38/91/1322583891.db2.gz UHDAXMFRAFJEBM-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO COCCC[N@H+](C)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001306982842 1331505270 /nfs/dbraw/zinc/50/52/70/1331505270.db2.gz KKRFPABNKWZTPC-UHFFFAOYSA-N 1 0 336.367 2.084 20 5 EEBDRO NC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001308141320 1331567981 /nfs/dbraw/zinc/56/79/81/1331567981.db2.gz IYFLZJARFFEITJ-UHFFFAOYSA-N 1 0 348.403 2.091 20 5 EEBDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC12COC2 ZINC001308927042 1331609818 /nfs/dbraw/zinc/60/98/18/1331609818.db2.gz GGKJLXFVBZTPGP-HNNXBMFYSA-N 1 0 348.399 2.223 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCC(CO)CC1)C1CC1 ZINC001320023392 1332812301 /nfs/dbraw/zinc/81/23/01/1332812301.db2.gz FZTBINMMTNLWOQ-SFHVURJKSA-N 1 0 347.459 2.210 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001327088323 1334218847 /nfs/dbraw/zinc/21/88/47/1334218847.db2.gz XWVAFEHDUVJCMG-SECBINFHSA-N 1 0 344.209 2.014 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC001335396500 1336370671 /nfs/dbraw/zinc/37/06/71/1336370671.db2.gz HNDGVJBPLGRCML-ZWKOTPCHSA-N 1 0 328.368 2.052 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCC(CO)CC1 ZINC001335741280 1336420660 /nfs/dbraw/zinc/42/06/60/1336420660.db2.gz XRSUQYINXIKSQM-UHFFFAOYSA-N 1 0 349.431 2.036 20 5 EEBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001337363540 1336690225 /nfs/dbraw/zinc/69/02/25/1336690225.db2.gz QVFHOHACHYAVJT-HNNXBMFYSA-N 1 0 344.415 2.019 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1 ZINC001338553300 1336875906 /nfs/dbraw/zinc/87/59/06/1336875906.db2.gz ZYPDVBKNRXYENI-ZBFHGGJFSA-N 1 0 332.331 2.361 20 5 EEBDRO C[C@H](CNC(=O)N(C)CC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001576016771 1343945874 /nfs/dbraw/zinc/94/58/74/1343945874.db2.gz CFAWMRNMUQBHAR-CYBMUJFWSA-N 1 0 334.420 2.339 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CC[NH2+]CC(C)(C)C2)c1[N+](=O)[O-] ZINC001578061029 1344229520 /nfs/dbraw/zinc/22/95/20/1344229520.db2.gz LAFMCOWGILRABV-NSHDSACASA-N 1 0 336.392 2.357 20 5 EEBDRO COC[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CCCC[NH2+]1 ZINC001578977588 1344325610 /nfs/dbraw/zinc/32/56/10/1344325610.db2.gz BRZYLYZQVSZZLX-KRWDZBQOSA-N 1 0 344.371 2.240 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001579576964 1344396861 /nfs/dbraw/zinc/39/68/61/1344396861.db2.gz DGENDLRBZFUCQD-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO [NH3+]Cc1nc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001580352903 1344512390 /nfs/dbraw/zinc/51/23/90/1344512390.db2.gz OVVVFTQDZYMNJB-UHFFFAOYSA-N 1 0 348.428 2.192 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1[NH2+]CCc2ccccc21 ZINC001580699669 1344551850 /nfs/dbraw/zinc/55/18/50/1344551850.db2.gz WJYAMGXFUMSODR-KRWDZBQOSA-N 1 0 325.368 2.141 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590692668 1349392409 /nfs/dbraw/zinc/39/24/09/1349392409.db2.gz HHMHOBCZWDWBCV-UHFFFAOYSA-N 1 0 345.407 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)cc1-c1nn[nH]n1 ZINC001593478252 1349810803 /nfs/dbraw/zinc/81/08/03/1349810803.db2.gz RWKGCHQUFPLCMP-CYBMUJFWSA-N 1 0 343.391 2.204 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001604220675 1350895897 /nfs/dbraw/zinc/89/58/97/1350895897.db2.gz OLWUJAIWGHKMBL-LBPRGKRZSA-N 1 0 345.407 2.227 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001605015719 1351056130 /nfs/dbraw/zinc/05/61/30/1351056130.db2.gz ORSHQVRCMCJADG-MRXNPFEDSA-N 1 0 346.391 2.166 20 5 EEBDRO CNc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000342449404 1367034032 /nfs/dbraw/zinc/03/40/32/1367034032.db2.gz FADIAFIFWHGEOI-FUNVUKJBSA-N 1 0 332.404 2.334 20 5 EEBDRO CC1([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000784570249 1371419520 /nfs/dbraw/zinc/41/95/20/1371419520.db2.gz DBWJWCQSOVXLFE-GDBMZVCRSA-N 1 0 336.388 2.103 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116039756 1371718638 /nfs/dbraw/zinc/71/86/38/1371718638.db2.gz UGDOWWVBPLSICX-TZMCWYRMSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001116165330 1371722081 /nfs/dbraw/zinc/72/20/81/1371722081.db2.gz UDMFOHHBHWTGKU-CYBMUJFWSA-N 1 0 332.404 2.494 20 5 EEBDRO [NH3+]Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122008114 1371939894 /nfs/dbraw/zinc/93/98/94/1371939894.db2.gz URBMULKUNVZUFS-IRXDYDNUSA-N 1 0 325.368 2.473 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000831726675 1372392373 /nfs/dbraw/zinc/39/23/73/1372392373.db2.gz FLAIKTCNSWZHCT-UONOGXRCSA-N 1 0 346.431 2.337 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001576469475 1403575613 /nfs/dbraw/zinc/57/56/13/1403575613.db2.gz PSEWPEWQQXWAGD-OAHLLOKOSA-N 1 0 332.404 2.027 20 5 EEBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC001577643891 1403666277 /nfs/dbraw/zinc/66/62/77/1403666277.db2.gz SRVPNCKZRNOFOM-JTQLQIEISA-N 1 0 329.303 2.020 20 5 EEBDRO CCc1ccccc1[C@@H](N)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001578275360 1403731609 /nfs/dbraw/zinc/73/16/09/1403731609.db2.gz JWENPFQAFCZDJW-KVULBXGLSA-N 1 0 329.404 2.347 20 5 EEBDRO [NH3+][C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001580130227 1403831587 /nfs/dbraw/zinc/83/15/87/1403831587.db2.gz NSVSZRYCYJJJEK-MRXNPFEDSA-N 1 0 343.387 2.006 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580540719 1403861081 /nfs/dbraw/zinc/86/10/81/1403861081.db2.gz CIJSUBUXPKAUFX-WOPDTQHZSA-N 1 0 339.779 2.026 20 5 EEBDRO Cc1c(Br)c(N(C)CC(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC000165834378 1405717484 /nfs/dbraw/zinc/71/74/84/1405717484.db2.gz NUEPWQZWNAUAED-UHFFFAOYSA-N 1 0 331.214 2.482 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000846615165 790281067 /nfs/dbraw/zinc/28/10/67/790281067.db2.gz XQRIDYLXSBPNIJ-UHFFFAOYSA-N 1 0 349.416 2.157 20 5 EEBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001106926746 779053905 /nfs/dbraw/zinc/05/39/05/779053905.db2.gz WDJVHUXKKVETTF-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167899503 779509893 /nfs/dbraw/zinc/50/98/93/779509893.db2.gz NKSPEVVRBYAYHT-LLVKDONJSA-N 1 0 335.282 2.306 20 5 EEBDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000846929992 790733349 /nfs/dbraw/zinc/73/33/49/790733349.db2.gz FFKHRVACWJYITI-IRXDYDNUSA-N 1 0 344.415 2.487 20 5 EEBDRO CCCN(CCNC(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001101226188 781025799 /nfs/dbraw/zinc/02/57/99/781025799.db2.gz IARMJPNQGWQELI-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983563 781361664 /nfs/dbraw/zinc/36/16/64/781361664.db2.gz PATZSZONPUSUCP-UHFFFAOYSA-N 1 0 327.344 2.182 20 5 EEBDRO Cc1cc(N[C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001091456633 790887371 /nfs/dbraw/zinc/88/73/71/790887371.db2.gz GLISLYMAOHSBIP-KOMQPUFPSA-N 1 0 346.431 2.306 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001091500889 790990464 /nfs/dbraw/zinc/99/04/64/790990464.db2.gz IKWRDGKUODTDCX-CTYIDZIISA-N 1 0 346.431 2.243 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019918 785145467 /nfs/dbraw/zinc/14/54/67/785145467.db2.gz MSYVHMVHYDPVLL-HNNXBMFYSA-N 1 0 341.770 2.284 20 5 EEBDRO COC(OC)c1ccc(F)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000818194128 785217173 /nfs/dbraw/zinc/21/71/73/785217173.db2.gz CETDLSXXKJEIOD-UHFFFAOYSA-N 1 0 338.339 2.012 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000818988089 785354509 /nfs/dbraw/zinc/35/45/09/785354509.db2.gz DFQMFRUTBSFORY-MRXNPFEDSA-N 1 0 335.404 2.011 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819140019 785420149 /nfs/dbraw/zinc/42/01/49/785420149.db2.gz QWUQWMKWPZZOQM-XGGYBDDLSA-N 1 0 340.445 2.298 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000819177443 785450067 /nfs/dbraw/zinc/45/00/67/785450067.db2.gz SZNZTQCFIVBKAQ-ZDUSSCGKSA-N 1 0 344.293 2.133 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000819941891 785733985 /nfs/dbraw/zinc/73/39/85/785733985.db2.gz AXCUVILONVUPIN-UHFFFAOYSA-N 1 0 337.420 2.288 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000825188850 788513408 /nfs/dbraw/zinc/51/34/08/788513408.db2.gz QHXHDZBEDYAALJ-UONOGXRCSA-N 1 0 346.431 2.442 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923441393 789567351 /nfs/dbraw/zinc/56/73/51/789567351.db2.gz KEASJWJTWWKJFY-OUAUKWLOSA-N 1 0 340.811 2.257 20 5 EEBDRO COc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000845672780 789917036 /nfs/dbraw/zinc/91/70/36/789917036.db2.gz QTGSBKINAMPLFA-NSHDSACASA-N 1 0 338.360 2.253 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000845730441 789927558 /nfs/dbraw/zinc/92/75/58/789927558.db2.gz IEWOLLHQTNORKQ-LLVKDONJSA-N 1 0 336.344 2.353 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3F)C2)nc1 ZINC000173470757 791858765 /nfs/dbraw/zinc/85/87/65/791858765.db2.gz CDMFXJAMCGJMSM-BLLLJJGKSA-N 1 0 346.362 2.349 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001171392853 794558619 /nfs/dbraw/zinc/55/86/19/794558619.db2.gz HDNZBXUJAHGVQB-GFCCVEGCSA-N 1 0 325.328 2.100 20 5 EEBDRO Cc1cnc(NCCNC(=O)CCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001093704351 795580773 /nfs/dbraw/zinc/58/07/73/795580773.db2.gz JBSKTIKXPGASGJ-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC001093994489 795843558 /nfs/dbraw/zinc/84/35/58/795843558.db2.gz JIPIVQKOKDSEAF-UHFFFAOYSA-N 1 0 343.318 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCN([C@@H]3CCOC3)CC1)CC2 ZINC001172907474 797133364 /nfs/dbraw/zinc/13/33/64/797133364.db2.gz FHKMPCJUPCHGRS-IEBWSBKVSA-N 1 0 345.443 2.249 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCOC3)CC2)c(F)c1 ZINC001173006627 797193715 /nfs/dbraw/zinc/19/37/15/797193715.db2.gz YXPGBVIGRSGJPD-NSHDSACASA-N 1 0 327.331 2.220 20 5 EEBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177851 797278113 /nfs/dbraw/zinc/27/81/13/797278113.db2.gz FHEFUAMFHJVIHZ-OUAUKWLOSA-N 1 0 340.351 2.072 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H]([NH+](C)C)C2)c1F ZINC001173186399 797281156 /nfs/dbraw/zinc/28/11/56/797281156.db2.gz RRWXVLDZTFTKJB-NEPJUHHUSA-N 1 0 325.384 2.309 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@H]2CC[N@H+](C)C2)c1F ZINC001173190512 797281964 /nfs/dbraw/zinc/28/19/64/797281964.db2.gz ULDKJCQHFMWJNS-RYUDHWBXSA-N 1 0 325.384 2.309 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001173219345 797300121 /nfs/dbraw/zinc/30/01/21/797300121.db2.gz BBHGMXUTCWVREY-DZGCQCFKSA-N 1 0 327.388 2.184 20 5 EEBDRO COC(=O)CC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173221849 797303347 /nfs/dbraw/zinc/30/33/47/797303347.db2.gz QMIKLGIIEXJCBQ-CYBMUJFWSA-N 1 0 336.388 2.228 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173230683 797311841 /nfs/dbraw/zinc/31/18/41/797311841.db2.gz UHIGUGQODKOBIF-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001110169004 797368239 /nfs/dbraw/zinc/36/82/39/797368239.db2.gz CUZZCEKXFXEJIO-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001095228594 797551680 /nfs/dbraw/zinc/55/16/80/797551680.db2.gz LWKSCCSGLMAPEH-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178458673 799483979 /nfs/dbraw/zinc/48/39/79/799483979.db2.gz RQTGTTRNYINGQU-IAGOWNOFSA-N 1 0 333.432 2.426 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001086011485 801925165 /nfs/dbraw/zinc/92/51/65/801925165.db2.gz CKEXXEXTLAFCCF-VDISTLRHSA-N 1 0 346.412 2.350 20 5 EEBDRO [NH3+][C@@H]1CCc2nn(-c3ccc(-c4cccc([N+](=O)[O-])c4)nn3)cc2C1 ZINC001168810594 803450309 /nfs/dbraw/zinc/45/03/09/803450309.db2.gz BARLXUANXIMMHL-CYBMUJFWSA-N 1 0 336.355 2.054 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168977281 803542991 /nfs/dbraw/zinc/54/29/91/803542991.db2.gz JDWONMKHHPJIDF-FQUUOJAGSA-N 1 0 327.425 2.467 20 5 EEBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1nccnc1[N+](=O)[O-] ZINC001168996142 803562807 /nfs/dbraw/zinc/56/28/07/803562807.db2.gz OZOIVGSIRQVIQC-UHFFFAOYSA-N 1 0 332.751 2.268 20 5 EEBDRO O=C1NCCCN1c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168998041 803563851 /nfs/dbraw/zinc/56/38/51/803563851.db2.gz HPEDBGMFZLNJEG-HUUCEWRRSA-N 1 0 332.404 2.141 20 5 EEBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998272 803563854 /nfs/dbraw/zinc/56/38/54/803563854.db2.gz KSZAHODSFHKDDX-KBUPBQIOSA-N 1 0 325.453 2.495 20 5 EEBDRO CCOC(=O)c1ncn2c1cccc2C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008220 803569611 /nfs/dbraw/zinc/56/96/11/803569611.db2.gz SDUMXDGORAVTQO-OLZOCXBDSA-N 1 0 346.387 2.046 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010300 803570756 /nfs/dbraw/zinc/57/07/56/803570756.db2.gz CMPXHEAJXRZUQG-QPSCCSFWSA-N 1 0 339.436 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)C1 ZINC001169027136 803574744 /nfs/dbraw/zinc/57/47/44/803574744.db2.gz ZXGLKZGICUXDOP-VUHPKUFZSA-N 1 0 345.443 2.269 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169036473 803580170 /nfs/dbraw/zinc/58/01/70/803580170.db2.gz OPMUKKRTJOYEBY-ZOBORPQBSA-N 1 0 345.415 2.369 20 5 EEBDRO CN(C)C(=O)N1CCCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018309 803587163 /nfs/dbraw/zinc/58/71/63/803587163.db2.gz APYFKNMJZQLTTD-LSDHHAIUSA-N 1 0 338.452 2.044 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCN(Cc2cccnc2)C3)C1 ZINC001169019493 803587532 /nfs/dbraw/zinc/58/75/32/803587532.db2.gz ISMQAFUTAPCBNA-NVXWUHKLSA-N 1 0 330.432 2.035 20 5 EEBDRO CC(C)n1nc(CN(C)C)c2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022220 803588234 /nfs/dbraw/zinc/58/82/34/803588234.db2.gz QTRMHRQVIZCSEW-HUUCEWRRSA-N 1 0 349.479 2.329 20 5 EEBDRO O=C(c1ccsc1)N1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169026459 803592536 /nfs/dbraw/zinc/59/25/36/803592536.db2.gz XGLRYJCWWNHJAZ-QCEMKRCNSA-N 1 0 349.456 2.197 20 5 EEBDRO O=C1N(CC2CC2)CCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169051996 803595801 /nfs/dbraw/zinc/59/58/01/803595801.db2.gz FGJWZJCNDGGGOQ-JKSUJKDBSA-N 1 0 335.448 2.156 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000787241851 807050961 /nfs/dbraw/zinc/05/09/61/807050961.db2.gz HJKUWLLQQSGBBM-YPMHNXCESA-N 1 0 332.360 2.094 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(OC)n2)c([N+](=O)[O-])c1 ZINC001170304442 809874182 /nfs/dbraw/zinc/87/41/82/809874182.db2.gz BUXUTPATLDPEAE-LLVKDONJSA-N 1 0 332.360 2.123 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170318907 809888736 /nfs/dbraw/zinc/88/87/36/809888736.db2.gz SBVYPDIIAFFFKP-LBPRGKRZSA-N 1 0 343.374 2.465 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170326833 809891690 /nfs/dbraw/zinc/89/16/90/809891690.db2.gz OJEQUPHTWIWADO-YVEFUNNKSA-N 1 0 343.383 2.351 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3ncn(C)c3C2)c([N+](=O)[O-])c1 ZINC001170354391 809902648 /nfs/dbraw/zinc/90/26/48/809902648.db2.gz KPFYMHIOIQNIEA-LBPRGKRZSA-N 1 0 330.388 2.326 20 5 EEBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345024 809915984 /nfs/dbraw/zinc/91/59/84/809915984.db2.gz GLNDUYMURQXPLI-OCCSQVGLSA-N 1 0 336.388 2.419 20 5 EEBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351552 809919806 /nfs/dbraw/zinc/91/98/06/809919806.db2.gz DCSQBJNDENITKJ-BBRMVZONSA-N 1 0 349.431 2.477 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001129915278 811028152 /nfs/dbraw/zinc/02/81/52/811028152.db2.gz ITJXRADJIIPTQK-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001129939092 811035859 /nfs/dbraw/zinc/03/58/59/811035859.db2.gz MRMLYYPOEOFCBR-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CCc1cncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001131368056 812726359 /nfs/dbraw/zinc/72/63/59/812726359.db2.gz GBRCIDJIBFUYPX-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001131560280 812970551 /nfs/dbraw/zinc/97/05/51/812970551.db2.gz GQHMFXKKYACAHF-UHFFFAOYSA-N 1 0 342.399 2.435 20 5 EEBDRO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000051993376 214111478 /nfs/dbraw/zinc/11/14/78/214111478.db2.gz KMQFFDHNQKSKSZ-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000173757378 231026366 /nfs/dbraw/zinc/02/63/66/231026366.db2.gz PDWVSJDNUASVGA-QGZVFWFLSA-N 1 0 348.378 2.204 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757382 214341172 /nfs/dbraw/zinc/34/11/72/214341172.db2.gz ZQFXNNLMCIWZFI-FRRDWIJNSA-N 1 0 334.420 2.394 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000098014358 219069767 /nfs/dbraw/zinc/06/97/67/219069767.db2.gz KEDGTYKVQQGIMY-MLGOLLRUSA-N 1 0 343.387 2.175 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000164071928 529808598 /nfs/dbraw/zinc/80/85/98/529808598.db2.gz JJTXGZNCAIYPSP-YGRLFVJLSA-N 1 0 339.342 2.429 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000066176099 215019013 /nfs/dbraw/zinc/01/90/13/215019013.db2.gz KZQOAAMWVVEYCB-ZDUSSCGKSA-N 1 0 337.424 2.036 20 5 EEBDRO COc1cc(F)c([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000183436165 235075093 /nfs/dbraw/zinc/07/50/93/235075093.db2.gz JFGVXOXGCMGOCY-SNVBAGLBSA-N 1 0 338.339 2.298 20 5 EEBDRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000184184534 235326694 /nfs/dbraw/zinc/32/66/94/235326694.db2.gz XNEFMOTXKOUPIA-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184195440 235329148 /nfs/dbraw/zinc/32/91/48/235329148.db2.gz UPCGFKPHGATOBQ-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CCC[NH+]1CCCCC1 ZINC000191834580 239325546 /nfs/dbraw/zinc/32/55/46/239325546.db2.gz AYMNRLQILHUCOC-UHFFFAOYSA-N 1 0 344.209 2.395 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420403716 239809891 /nfs/dbraw/zinc/80/98/91/239809891.db2.gz NMCHREMDERKQNP-TZMCWYRMSA-N 1 0 340.383 2.312 20 5 EEBDRO CCCN1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000421878976 240041882 /nfs/dbraw/zinc/04/18/82/240041882.db2.gz MRYATLDJKQCIKC-RRFJBIMHSA-N 1 0 349.435 2.123 20 5 EEBDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000132661286 223352153 /nfs/dbraw/zinc/35/21/53/223352153.db2.gz HSHWVPQLAAZQTM-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423986119 240772554 /nfs/dbraw/zinc/77/25/54/240772554.db2.gz VRNSVUHTWVINGL-QGZVFWFLSA-N 1 0 343.383 2.352 20 5 EEBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCC[C@H]1O ZINC000426204473 241235636 /nfs/dbraw/zinc/23/56/36/241235636.db2.gz GKLMRFKHHWJZNZ-ZIAGYGMSSA-N 1 0 332.360 2.380 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236712465 242332000 /nfs/dbraw/zinc/33/20/00/242332000.db2.gz NQYVMLDUTNLDKI-QGZVFWFLSA-N 1 0 345.403 2.274 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813712 242319337 /nfs/dbraw/zinc/31/93/37/242319337.db2.gz XELNHXFREZRNCO-ZBFHGGJFSA-N 1 0 348.447 2.322 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000236876474 242392974 /nfs/dbraw/zinc/39/29/74/242392974.db2.gz NAEFEFCTRPDKOT-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451498167 243134806 /nfs/dbraw/zinc/13/48/06/243134806.db2.gz MVQAAVZQCBGHAI-HUUCEWRRSA-N 1 0 349.387 2.296 20 5 EEBDRO C[C@@H]1C[C@@H](O)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452065092 243340397 /nfs/dbraw/zinc/34/03/97/243340397.db2.gz BHWWJSZDPJWYMZ-IUODEOHRSA-N 1 0 331.372 2.495 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000456683530 244326033 /nfs/dbraw/zinc/32/60/33/244326033.db2.gz LTWMIJGNTHVXDP-UHFFFAOYSA-N 1 0 335.379 2.410 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262597068 245054794 /nfs/dbraw/zinc/05/47/94/245054794.db2.gz YUNYDILKBQNFRV-UHFFFAOYSA-N 1 0 344.209 2.414 20 5 EEBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459644774 245196169 /nfs/dbraw/zinc/19/61/69/245196169.db2.gz XWSMAJQKBHDHEA-AWEZNQCLSA-N 1 0 330.388 2.153 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000459772187 245243653 /nfs/dbraw/zinc/24/36/53/245243653.db2.gz SBSNARMRFKKJPA-CVEARBPZSA-N 1 0 345.399 2.031 20 5 EEBDRO Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000078439176 217052321 /nfs/dbraw/zinc/05/23/21/217052321.db2.gz ZNFGZBYVJCIHAY-CQSZACIVSA-N 1 0 348.403 2.089 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000111249177 220123901 /nfs/dbraw/zinc/12/39/01/220123901.db2.gz JUIAAUWSUNHEIM-KBPBESRZSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1ccnc(NC2CC[NH+](C3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000265153717 247253087 /nfs/dbraw/zinc/25/30/87/247253087.db2.gz BVRXZVFXBDRXGI-UHFFFAOYSA-N 1 0 333.436 2.269 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000266377028 248271993 /nfs/dbraw/zinc/27/19/93/248271993.db2.gz MMLQWDDPHUYGAY-UHFFFAOYSA-N 1 0 334.376 2.449 20 5 EEBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519629 248342333 /nfs/dbraw/zinc/34/23/33/248342333.db2.gz COCJKZXDCSQYFY-DLBZAZTESA-N 1 0 330.388 2.298 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000266528400 248346519 /nfs/dbraw/zinc/34/65/19/248346519.db2.gz LEFPNSAJAPSSQG-WMZOPIPTSA-N 1 0 344.415 2.249 20 5 EEBDRO C[C@@H]1SCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000112645273 220362470 /nfs/dbraw/zinc/36/24/70/220362470.db2.gz YFMZUQWCTUSOLK-OBJOEFQTSA-N 1 0 326.418 2.160 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084134385 285189340 /nfs/dbraw/zinc/18/93/40/285189340.db2.gz MXFKPVFKYJHCNJ-MRXNPFEDSA-N 1 0 330.388 2.125 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000270452446 256136918 /nfs/dbraw/zinc/13/69/18/256136918.db2.gz LEWFAHVBHJTDCS-DZGCQCFKSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141070 256118355 /nfs/dbraw/zinc/11/83/55/256118355.db2.gz DFDBIZPQNBUVSO-CXAGYDPISA-N 1 0 346.431 2.386 20 5 EEBDRO O=C(NC[C@H]1CC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273044511 256259982 /nfs/dbraw/zinc/25/99/82/256259982.db2.gz PSBYNTHBGRJIMW-JTQLQIEISA-N 1 0 332.385 2.058 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274031249 256347643 /nfs/dbraw/zinc/34/76/43/256347643.db2.gz NURWSSQCMNVCLN-NXEZZACHSA-N 1 0 327.768 2.201 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000273422950 256294966 /nfs/dbraw/zinc/29/49/66/256294966.db2.gz ZCHXXHBKHAHYRZ-UKRRQHHQSA-N 1 0 331.372 2.500 20 5 EEBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274265310 256369028 /nfs/dbraw/zinc/36/90/28/256369028.db2.gz YIYFMBCPMTYPIS-PBHICJAKSA-N 1 0 340.420 2.390 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000154180251 533525276 /nfs/dbraw/zinc/52/52/76/533525276.db2.gz BAKPXEMOPWMBFA-KGLIPLIRSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000177109719 143638057 /nfs/dbraw/zinc/63/80/57/143638057.db2.gz SKFZCMUMHVUGEJ-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119573307 292246645 /nfs/dbraw/zinc/24/66/45/292246645.db2.gz UPCNIJNWROWENO-UHFFFAOYSA-N 1 0 340.855 2.318 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000191069285 286282638 /nfs/dbraw/zinc/28/26/38/286282638.db2.gz RMQHRYRAIULCMJ-HUUCEWRRSA-N 1 0 337.420 2.330 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173359446 152161444 /nfs/dbraw/zinc/16/14/44/152161444.db2.gz CSPGKTCJIMBBDQ-ZDUSSCGKSA-N 1 0 349.412 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000368021471 292295982 /nfs/dbraw/zinc/29/59/82/292295982.db2.gz RJAAUZLUKSFAPS-ZFWWWQNUSA-N 1 0 332.404 2.454 20 5 EEBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000126006462 292304254 /nfs/dbraw/zinc/30/42/54/292304254.db2.gz UMMNAYQCEOAKJW-UHFFFAOYSA-N 1 0 344.419 2.315 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000128694745 292345922 /nfs/dbraw/zinc/34/59/22/292345922.db2.gz VUEYZBQGJMNBHY-UHFFFAOYSA-N 1 0 343.387 2.334 20 5 EEBDRO Cc1nc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000128780500 292347016 /nfs/dbraw/zinc/34/70/16/292347016.db2.gz WQWDPNMLBUYWQR-LBPRGKRZSA-N 1 0 333.417 2.484 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081333392 159150986 /nfs/dbraw/zinc/15/09/86/159150986.db2.gz HMMFKVBRVAJZIW-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO CC(C)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015394 159191007 /nfs/dbraw/zinc/19/10/07/159191007.db2.gz PVDKQXYOWFCHMA-CYBMUJFWSA-N 1 0 343.449 2.287 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000107327206 159329930 /nfs/dbraw/zinc/32/99/30/159329930.db2.gz MJTMRJYNXHTJEX-UHFFFAOYSA-N 1 0 349.435 2.180 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CC(C)C ZINC000185279209 160033839 /nfs/dbraw/zinc/03/38/39/160033839.db2.gz AEBNNUPNNPWVPX-LBPRGKRZSA-N 1 0 337.424 2.058 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000192497787 160170870 /nfs/dbraw/zinc/17/08/70/160170870.db2.gz QXICHXSCVDZZCK-UONOGXRCSA-N 1 0 348.428 2.346 20 5 EEBDRO COC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000343694802 161159794 /nfs/dbraw/zinc/15/97/94/161159794.db2.gz PSZSJBJUYNCHOB-UHFFFAOYSA-N 1 0 335.360 2.004 20 5 EEBDRO CO[C@@H]1C[C@H](CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343875941 161176796 /nfs/dbraw/zinc/17/67/96/161176796.db2.gz LTVCEGUXKJFVCW-NXEZZACHSA-N 1 0 348.325 2.164 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000344474668 161231467 /nfs/dbraw/zinc/23/14/67/161231467.db2.gz XPMCCNQELKKVOY-IPOQPSJVSA-N 1 0 347.415 2.349 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000344750423 161242856 /nfs/dbraw/zinc/24/28/56/161242856.db2.gz VHQZPHJMDXNUFA-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352464230 162144372 /nfs/dbraw/zinc/14/43/72/162144372.db2.gz QPVLCKOOLLRJIP-UHFFFAOYSA-N 1 0 338.408 2.093 20 5 EEBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000358916245 164015089 /nfs/dbraw/zinc/01/50/89/164015089.db2.gz RTIRAFMMQNDHPS-VIFPVBQESA-N 1 0 349.309 2.264 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000359973583 164207162 /nfs/dbraw/zinc/20/71/62/164207162.db2.gz BKAIGHOGZFVCMG-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368093314 166049969 /nfs/dbraw/zinc/04/99/69/166049969.db2.gz NIDFGBJQPHXUQA-CQSZACIVSA-N 1 0 339.342 2.383 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000360616993 164351909 /nfs/dbraw/zinc/35/19/09/164351909.db2.gz DEYVJFOVCYHIIL-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)NCC(F)F ZINC000360771367 164377686 /nfs/dbraw/zinc/37/76/86/164377686.db2.gz IBRBHFSBWBQDEJ-UHFFFAOYSA-N 1 0 339.298 2.326 20 5 EEBDRO CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000360849446 164390224 /nfs/dbraw/zinc/39/02/24/164390224.db2.gz MBMRIWRKWMTIFC-INIZCTEOSA-N 1 0 343.431 2.425 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000360895740 164398095 /nfs/dbraw/zinc/39/80/95/164398095.db2.gz ZYIJEQPVIMKXKD-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CNc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361163232 164436322 /nfs/dbraw/zinc/43/63/22/164436322.db2.gz XEGWWJYIWOHENN-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000363674134 164937075 /nfs/dbraw/zinc/93/70/75/164937075.db2.gz OGHYELBDOXIVMB-XOKHGSTOSA-N 1 0 346.431 2.373 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270042633 268779660 /nfs/dbraw/zinc/77/96/60/268779660.db2.gz SIUOQBSNLTWIEB-RKLWJJNISA-N 1 0 345.399 2.469 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270073753 268784591 /nfs/dbraw/zinc/78/45/91/268784591.db2.gz HEPRISKCUFUHLI-MRXNPFEDSA-N 1 0 331.416 2.328 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272220275 268930656 /nfs/dbraw/zinc/93/06/56/268930656.db2.gz IPJGHTCEVRMSQG-UHFFFAOYSA-N 1 0 349.387 2.268 20 5 EEBDRO CSCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274827396 269059062 /nfs/dbraw/zinc/05/90/62/269059062.db2.gz LFHGFOVKZOSZBG-UHFFFAOYSA-N 1 0 335.433 2.346 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1OC ZINC000274973226 269080911 /nfs/dbraw/zinc/08/09/11/269080911.db2.gz WNRNJLSVLIIWGI-IACUBPJLSA-N 1 0 346.330 2.478 20 5 EEBDRO COC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275417939 269114882 /nfs/dbraw/zinc/11/48/82/269114882.db2.gz CDQGVZGZOYQKHV-LLVKDONJSA-N 1 0 325.340 2.031 20 5 EEBDRO Cc1cc(OCC(=O)N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000280426308 269361243 /nfs/dbraw/zinc/36/12/43/269361243.db2.gz BWYDTFXQNWVBRV-UHFFFAOYSA-N 1 0 335.404 2.082 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000280487381 269366227 /nfs/dbraw/zinc/36/62/27/269366227.db2.gz LWWZSHHAPZGHHI-ZDUSSCGKSA-N 1 0 335.404 2.325 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961536 274072863 /nfs/dbraw/zinc/07/28/63/274072863.db2.gz ANTOBBRAIBBYKS-SGTLLEGYSA-N 1 0 347.415 2.277 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280770953 274598274 /nfs/dbraw/zinc/59/82/74/274598274.db2.gz YYSPNWQEINKYDJ-NSHDSACASA-N 1 0 343.786 2.482 20 5 EEBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000287258668 274948962 /nfs/dbraw/zinc/94/89/62/274948962.db2.gz KAOVFSKYPIISHQ-CQSZACIVSA-N 1 0 338.839 2.464 20 5 EEBDRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000490690766 275006996 /nfs/dbraw/zinc/00/69/96/275006996.db2.gz PDGOLZOKGFDTEC-XYPHTWIQSA-N 1 0 329.400 2.400 20 5 EEBDRO CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC000290992067 275258683 /nfs/dbraw/zinc/25/86/83/275258683.db2.gz ALUQYEPVDLGMOO-UHFFFAOYSA-N 1 0 345.359 2.005 20 5 EEBDRO COCCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000291126082 275273165 /nfs/dbraw/zinc/27/31/65/275273165.db2.gz HQHRFVDHFOWEFY-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cccn2)C1 ZINC000291696304 275330952 /nfs/dbraw/zinc/33/09/52/275330952.db2.gz HSNIKLLKMAPWIB-IUODEOHRSA-N 1 0 329.360 2.065 20 5 EEBDRO CSCC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000352510974 277511608 /nfs/dbraw/zinc/51/16/08/277511608.db2.gz PTIVMQJHMUTSEF-BXUZGUMPSA-N 1 0 325.434 2.455 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377645525 280354942 /nfs/dbraw/zinc/35/49/42/280354942.db2.gz TZHOLYUMBDHBFA-WBVHZDCISA-N 1 0 342.399 2.178 20 5 EEBDRO CN(CC(=O)N(C)C(C)(C)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000416096701 289451707 /nfs/dbraw/zinc/45/17/07/289451707.db2.gz DQRVJRAYUKTJPU-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293109109 293128270 /nfs/dbraw/zinc/12/82/70/293128270.db2.gz YILBICJHNRKTBD-KSSFIOAISA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293109113 293128317 /nfs/dbraw/zinc/12/83/17/293128317.db2.gz YILBICJHNRKTBD-RDTXWAMCSA-N 1 0 346.431 2.340 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)C1 ZINC000294006236 293348407 /nfs/dbraw/zinc/34/84/07/293348407.db2.gz XSZGQUQFBOKPFK-KRWDZBQOSA-N 1 0 328.372 2.244 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCC(O)CC2)o1 ZINC000294872275 293567904 /nfs/dbraw/zinc/56/79/04/293567904.db2.gz PJGVOMJIVJUJDJ-UHFFFAOYSA-N 1 0 345.399 2.401 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000296710064 294046974 /nfs/dbraw/zinc/04/69/74/294046974.db2.gz LVKVFQIHQVLJDO-UHFFFAOYSA-N 1 0 340.399 2.214 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000296772848 294063843 /nfs/dbraw/zinc/06/38/43/294063843.db2.gz MUVAYTVOJJSYEH-CJNGLKHVSA-N 1 0 345.399 2.110 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000298543465 294524499 /nfs/dbraw/zinc/52/44/99/294524499.db2.gz XSIQTSBCJIWTLA-KRWDZBQOSA-N 1 0 328.372 2.298 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175086983 302049630 /nfs/dbraw/zinc/04/96/30/302049630.db2.gz ZJLQIWBUVKUPQJ-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO COc1cccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332093966 311948203 /nfs/dbraw/zinc/94/82/03/311948203.db2.gz WNEZUCVZNFCEID-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332127624 311954406 /nfs/dbraw/zinc/95/44/06/311954406.db2.gz NISNSEMRZLKHNU-LSDHHAIUSA-N 1 0 347.415 2.168 20 5 EEBDRO Cc1c([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346115432 312271901 /nfs/dbraw/zinc/27/19/01/312271901.db2.gz XEVJBKMAVLLYHI-HUUCEWRRSA-N 1 0 348.447 2.141 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000410853152 312496076 /nfs/dbraw/zinc/49/60/76/312496076.db2.gz JAYGSKZFDGLTIA-GHMZBOCLSA-N 1 0 339.367 2.297 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973231 312593636 /nfs/dbraw/zinc/59/36/36/312593636.db2.gz RJCYFEVJPVSOBF-PXAZEXFGSA-N 1 0 335.404 2.351 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414659589 313058568 /nfs/dbraw/zinc/05/85/68/313058568.db2.gz TYEGBJNXCDNVOS-CYZMBNFOSA-N 1 0 334.376 2.195 20 5 EEBDRO [NH3+][C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414954139 313114780 /nfs/dbraw/zinc/11/47/80/313114780.db2.gz SIJKZSGRNDIFSB-VIFPVBQESA-N 1 0 330.291 2.055 20 5 EEBDRO [NH3+]C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418094551 313710646 /nfs/dbraw/zinc/71/06/46/313710646.db2.gz VAOACDAKEBYSCV-SECBINFHSA-N 1 0 346.309 2.104 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418094475 313710988 /nfs/dbraw/zinc/71/09/88/313710988.db2.gz UQLWCTSDQKQKKV-LBPRGKRZSA-N 1 0 348.325 2.396 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418715341 313887375 /nfs/dbraw/zinc/88/73/75/313887375.db2.gz BIEAJROLGVBJJY-WFASDCNBSA-N 1 0 332.404 2.180 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000420449523 313962103 /nfs/dbraw/zinc/96/21/03/313962103.db2.gz KDOCBISPWYGPRU-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000447063653 315366469 /nfs/dbraw/zinc/36/64/69/315366469.db2.gz OLOVHOVVMAHRDY-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@H](CC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449100518 315417171 /nfs/dbraw/zinc/41/71/71/315417171.db2.gz RPGFEGRBIHVMDH-GFCCVEGCSA-N 1 0 343.449 2.287 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000516318791 316553636 /nfs/dbraw/zinc/55/36/36/316553636.db2.gz XLFNHWNOEIHMGM-GFCCVEGCSA-N 1 0 337.767 2.004 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000516762468 316591343 /nfs/dbraw/zinc/59/13/43/316591343.db2.gz AVJXEEKXLDLRBW-HIFRSBDPSA-N 1 0 344.367 2.100 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)COC ZINC000535063893 317961910 /nfs/dbraw/zinc/96/19/10/317961910.db2.gz JQTBRLZXJOALCJ-IUODEOHRSA-N 1 0 328.434 2.453 20 5 EEBDRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000563130755 318975313 /nfs/dbraw/zinc/97/53/13/318975313.db2.gz UIFZXAUYEXOXPY-NSHDSACASA-N 1 0 345.346 2.041 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000563695107 319037823 /nfs/dbraw/zinc/03/78/23/319037823.db2.gz DJXHXKGUKNEYKR-LSDHHAIUSA-N 1 0 346.431 2.448 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H]([NH+]3CCOCC3)CC1)CCN2 ZINC000567627249 319399224 /nfs/dbraw/zinc/39/92/24/319399224.db2.gz JVYPHDGFOXEMIB-CQSZACIVSA-N 1 0 346.431 2.254 20 5 EEBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000573831517 319970931 /nfs/dbraw/zinc/97/09/31/319970931.db2.gz BFIGSHVAQUQLJK-KRWDZBQOSA-N 1 0 340.383 2.423 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000574220317 320006379 /nfs/dbraw/zinc/00/63/79/320006379.db2.gz FWSXFJDKISWIST-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000574270657 320010912 /nfs/dbraw/zinc/01/09/12/320010912.db2.gz GTIIKUYWCMLZGG-QGZVFWFLSA-N 1 0 346.383 2.271 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000576220325 320152028 /nfs/dbraw/zinc/15/20/28/320152028.db2.gz MPGZVZFLOSMLQR-QAPCUYQASA-N 1 0 344.367 2.196 20 5 EEBDRO CCCC[N@H+](CCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000182155996 323366313 /nfs/dbraw/zinc/36/63/13/323366313.db2.gz UJSTXGCLFNUNTJ-INIZCTEOSA-N 1 0 335.404 2.185 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165856544 463649488 /nfs/dbraw/zinc/64/94/88/463649488.db2.gz JCPIKUFIKSHYIU-LLVKDONJSA-N 1 0 342.193 2.181 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000296160511 465099015 /nfs/dbraw/zinc/09/90/15/465099015.db2.gz KMISOORIISVWRA-HZPDHXFCSA-N 1 0 347.415 2.495 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)n1 ZINC000339130857 465099736 /nfs/dbraw/zinc/09/97/36/465099736.db2.gz FRQLARXXPNMKAE-INIZCTEOSA-N 1 0 348.378 2.171 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351618483 465255570 /nfs/dbraw/zinc/25/55/70/465255570.db2.gz HLRVQURBVIEFPD-JSGCOSHPSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000356323717 465312639 /nfs/dbraw/zinc/31/26/39/465312639.db2.gz YKPXASLTYVADEE-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)COC2CCOCC2)cc1 ZINC000127395695 462547934 /nfs/dbraw/zinc/54/79/34/462547934.db2.gz OJZVQFZYNVVTQK-HNNXBMFYSA-N 1 0 347.371 2.015 20 5 EEBDRO CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CCN1CCOC ZINC000127996760 462600935 /nfs/dbraw/zinc/60/09/35/462600935.db2.gz JGMGKDKWAUHDKQ-HNNXBMFYSA-N 1 0 349.431 2.476 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764117 462632149 /nfs/dbraw/zinc/63/21/49/462632149.db2.gz AMDZKNZQXORIMW-INIZCTEOSA-N 1 0 334.420 2.119 20 5 EEBDRO CCC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000128787351 462670503 /nfs/dbraw/zinc/67/05/03/462670503.db2.gz BFYOITLWHRHLQL-INIZCTEOSA-N 1 0 349.431 2.097 20 5 EEBDRO Cc1nc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645233 462702349 /nfs/dbraw/zinc/70/23/49/462702349.db2.gz MBSPYIHKLPQORN-HOTGVXAUSA-N 1 0 342.399 2.346 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[NH+](C)C ZINC000064724137 462717144 /nfs/dbraw/zinc/71/71/44/462717144.db2.gz CXTXOJNLKXFTKK-VHSXEESVSA-N 1 0 329.784 2.082 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000154498657 462775150 /nfs/dbraw/zinc/77/51/50/462775150.db2.gz AXIBFEHZZHJEPC-UHFFFAOYSA-N 1 0 342.779 2.450 20 5 EEBDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550916 462797145 /nfs/dbraw/zinc/79/71/45/462797145.db2.gz HFNSNDFGNMLSGG-CQSZACIVSA-N 1 0 345.399 2.328 20 5 EEBDRO CCOCC[N@H+](CC)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117340500 462800223 /nfs/dbraw/zinc/80/02/23/462800223.db2.gz QQFHUZFKPFDSBX-UHFFFAOYSA-N 1 0 337.376 2.251 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000065857661 462833768 /nfs/dbraw/zinc/83/37/68/462833768.db2.gz VNDDQZLAIHZKJV-KRWDZBQOSA-N 1 0 342.399 2.426 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000065866312 462834665 /nfs/dbraw/zinc/83/46/65/462834665.db2.gz RLGQOVVCKJVVMI-UHFFFAOYSA-N 1 0 342.399 2.385 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000066047933 462849016 /nfs/dbraw/zinc/84/90/16/462849016.db2.gz QWWQEELJAHQDGB-INIZCTEOSA-N 1 0 330.388 2.006 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000066138651 462854822 /nfs/dbraw/zinc/85/48/22/462854822.db2.gz AYEITCDZZAEIDH-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000066176279 462859545 /nfs/dbraw/zinc/85/95/45/462859545.db2.gz KAIXFBWISHJFFK-ZDUSSCGKSA-N 1 0 337.424 2.036 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000133284088 462914859 /nfs/dbraw/zinc/91/48/59/462914859.db2.gz HCLDBOCOMKQAIN-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO CCc1nn(C)c(N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000092827628 462982892 /nfs/dbraw/zinc/98/28/92/462982892.db2.gz LNDOMLMYUGJSDD-UHFFFAOYSA-N 1 0 343.431 2.255 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000051538292 463040267 /nfs/dbraw/zinc/04/02/67/463040267.db2.gz XEGWBFYQMHPCDK-LBPRGKRZSA-N 1 0 325.796 2.407 20 5 EEBDRO Cc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000026332400 463158219 /nfs/dbraw/zinc/15/82/19/463158219.db2.gz GCTWXCOAXKZZLG-UHFFFAOYSA-N 1 0 333.388 2.025 20 5 EEBDRO CCc1cc(N2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389384 463232162 /nfs/dbraw/zinc/23/21/62/463232162.db2.gz ZANVNFUIKAVBLZ-UHFFFAOYSA-N 1 0 327.388 2.366 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000122411490 463262182 /nfs/dbraw/zinc/26/21/82/463262182.db2.gz AQWZKHSBTDQAEA-KGLIPLIRSA-N 1 0 349.435 2.055 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCSC ZINC000138265374 463306891 /nfs/dbraw/zinc/30/68/91/463306891.db2.gz XITRFUSIUJDZLC-UHFFFAOYSA-N 1 0 327.406 2.227 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000160137423 463320191 /nfs/dbraw/zinc/32/01/91/463320191.db2.gz KOTVXPAQZKLRQA-UHFFFAOYSA-N 1 0 337.424 2.074 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069857740 463341174 /nfs/dbraw/zinc/34/11/74/463341174.db2.gz YYBYSHVEXWUAHI-HNNXBMFYSA-N 1 0 349.431 2.148 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000160493460 463343094 /nfs/dbraw/zinc/34/30/94/463343094.db2.gz BAFAWJSZUBCRFI-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000160692240 463362289 /nfs/dbraw/zinc/36/22/89/463362289.db2.gz GWOXRJWGRNMVEP-CYBMUJFWSA-N 1 0 332.404 2.019 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028799 463404073 /nfs/dbraw/zinc/40/40/73/463404073.db2.gz SYGZNIGAKAKKKR-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EEBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072559138 463520465 /nfs/dbraw/zinc/52/04/65/463520465.db2.gz JWDCWECDZDGTMB-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH2+]CC1 ZINC000163319290 463579978 /nfs/dbraw/zinc/57/99/78/463579978.db2.gz QDANVGCDOWGQHO-UHFFFAOYSA-N 1 0 339.367 2.103 20 5 EEBDRO CC(C)(CCc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000151943766 463619095 /nfs/dbraw/zinc/61/90/95/463619095.db2.gz UBBPIVWNQKHHKS-MRXNPFEDSA-N 1 0 332.404 2.153 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151972820 463624409 /nfs/dbraw/zinc/62/44/09/463624409.db2.gz AQYLEYPJLOXBAM-ZANVPECISA-N 1 0 327.331 2.285 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000112309658 463697722 /nfs/dbraw/zinc/69/77/22/463697722.db2.gz HYCUMTOTDWYBAQ-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000193493859 463715934 /nfs/dbraw/zinc/71/59/34/463715934.db2.gz JAXSROXJIXFHOJ-KCJUWKMLSA-N 1 0 331.294 2.484 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000286847328 463723051 /nfs/dbraw/zinc/72/30/51/463723051.db2.gz YOWRTFGBZWAQGW-UHFFFAOYSA-N 1 0 346.431 2.406 20 5 EEBDRO CC[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000255413646 463725102 /nfs/dbraw/zinc/72/51/02/463725102.db2.gz ZHKDYWVISQYTHI-QWGSZXSUSA-N 1 0 347.415 2.177 20 5 EEBDRO CC1(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000268459016 463751722 /nfs/dbraw/zinc/75/17/22/463751722.db2.gz KFHQGMKWRMTAAX-UHFFFAOYSA-N 1 0 336.388 2.449 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000261667477 463820317 /nfs/dbraw/zinc/82/03/17/463820317.db2.gz GRHIGEUNFHAUSJ-QWHCGFSZSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268963420 463829042 /nfs/dbraw/zinc/82/90/42/463829042.db2.gz LTJIFETVOJMLNA-GDBMZVCRSA-N 1 0 334.420 2.478 20 5 EEBDRO [NH3+][C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261778584 463856137 /nfs/dbraw/zinc/85/61/37/463856137.db2.gz PIHXDXRWJAPGKZ-ZWKOTPCHSA-N 1 0 327.384 2.400 20 5 EEBDRO C[N@H+]1C[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2C1 ZINC000194541416 463881320 /nfs/dbraw/zinc/88/13/20/463881320.db2.gz BXGPZMSWOHPFAL-TXEJJXNPSA-N 1 0 327.331 2.190 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185851009 463890552 /nfs/dbraw/zinc/89/05/52/463890552.db2.gz KFKQERVGYBQKNO-ZDUSSCGKSA-N 1 0 341.433 2.090 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000287469068 463903489 /nfs/dbraw/zinc/90/34/89/463903489.db2.gz WSAFKKMXZSLEHH-UHFFFAOYSA-N 1 0 347.415 2.346 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000523286059 468386322 /nfs/dbraw/zinc/38/63/22/468386322.db2.gz YAELFJMWGDFUEU-CQSZACIVSA-N 1 0 332.404 2.337 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262301025 463995352 /nfs/dbraw/zinc/99/53/52/463995352.db2.gz XLYRHKJTSXWPQH-MRXNPFEDSA-N 1 0 346.431 2.022 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+](C)CCCO)CC1 ZINC000283782526 464008495 /nfs/dbraw/zinc/00/84/95/464008495.db2.gz QOYNZPKSCJVROH-UHFFFAOYSA-N 1 0 335.404 2.080 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC000178980237 464030520 /nfs/dbraw/zinc/03/05/20/464030520.db2.gz YLFZNIQTMBNCSA-DOMZBBRYSA-N 1 0 341.433 2.089 20 5 EEBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721576 464058005 /nfs/dbraw/zinc/05/80/05/464058005.db2.gz PADQDORAOJOSRA-WMLDXEAASA-N 1 0 335.404 2.086 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1cnn(C)c1 ZINC000195518851 464067425 /nfs/dbraw/zinc/06/74/25/464067425.db2.gz MVSJFDXOUZJVQN-UHFFFAOYSA-N 1 0 345.403 2.487 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)CCCCCO)c([N+](=O)[O-])c1 ZINC000279710011 464130146 /nfs/dbraw/zinc/13/01/46/464130146.db2.gz KCYOCPCGIAECDE-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000269989207 464150672 /nfs/dbraw/zinc/15/06/72/464150672.db2.gz QUBFMJWQGCFWEI-QMMMGPOBSA-N 1 0 345.197 2.429 20 5 EEBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000263731639 464170712 /nfs/dbraw/zinc/17/07/12/464170712.db2.gz CPDYQXQVWMRKNM-UHFFFAOYSA-N 1 0 335.364 2.044 20 5 EEBDRO O=C(CC[N@H+]1CC[C@@H](O)C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000292624088 464291265 /nfs/dbraw/zinc/29/12/65/464291265.db2.gz GGCVETLTGUMFCG-OAHLLOKOSA-N 1 0 333.388 2.303 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000271459010 464318635 /nfs/dbraw/zinc/31/86/35/464318635.db2.gz FSWCTUJWOJNXNS-SWLSCSKDSA-N 1 0 326.418 2.207 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000281071478 464321521 /nfs/dbraw/zinc/32/15/21/464321521.db2.gz ZXCBGAYYQHEOPM-GFCCVEGCSA-N 1 0 333.388 2.208 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000264450461 464330917 /nfs/dbraw/zinc/33/09/17/464330917.db2.gz GMFVKAAYLXVBRE-ZDUSSCGKSA-N 1 0 332.404 2.186 20 5 EEBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180631635 464354226 /nfs/dbraw/zinc/35/42/26/464354226.db2.gz FPUUOFNLAVKAKJ-GFCCVEGCSA-N 1 0 329.784 2.183 20 5 EEBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000237701249 464366339 /nfs/dbraw/zinc/36/63/39/464366339.db2.gz HVWFHWZPDXYQFW-IINYFYTJSA-N 1 0 325.796 2.377 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237920189 464404241 /nfs/dbraw/zinc/40/42/41/464404241.db2.gz RBCXBGUCHDFDJV-AWEZNQCLSA-N 1 0 332.404 2.067 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237989508 464415743 /nfs/dbraw/zinc/41/57/43/464415743.db2.gz LIKOFDWKVDZHMK-OCCSQVGLSA-N 1 0 332.404 2.416 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[NH2+]Cc1cccnc1 ZINC000238067218 464427440 /nfs/dbraw/zinc/42/74/40/464427440.db2.gz GECPBJDUHPURAN-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO CC(C)(CCC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000294324844 464467615 /nfs/dbraw/zinc/46/76/15/464467615.db2.gz KGOURPALTXELJJ-UHFFFAOYSA-N 1 0 333.432 2.387 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294364102 464479584 /nfs/dbraw/zinc/47/95/84/464479584.db2.gz ZCHZLGWESDWBDB-SFHVURJKSA-N 1 0 346.431 2.341 20 5 EEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000189441240 464504794 /nfs/dbraw/zinc/50/47/94/464504794.db2.gz KNDGGRPWCUPJCG-AWEZNQCLSA-N 1 0 336.436 2.289 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294515561 464523110 /nfs/dbraw/zinc/52/31/10/464523110.db2.gz HUJRDXGNARSSTD-OAHLLOKOSA-N 1 0 333.388 2.110 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281645547 464533399 /nfs/dbraw/zinc/53/33/99/464533399.db2.gz VXKUDCRJVFRZOD-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO NC(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182046733 464560009 /nfs/dbraw/zinc/56/00/09/464560009.db2.gz FZPFGOTXQFQWMO-AWEZNQCLSA-N 1 0 335.404 2.388 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000281728007 464560637 /nfs/dbraw/zinc/56/06/37/464560637.db2.gz AOARLOPPHQZAMO-KBPBESRZSA-N 1 0 348.428 2.346 20 5 EEBDRO CC(=O)c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000265473528 464572669 /nfs/dbraw/zinc/57/26/69/464572669.db2.gz DMAADPRVZUHHMC-UHFFFAOYSA-N 1 0 347.415 2.346 20 5 EEBDRO CC(=O)c1ccc(NCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281754842 464573382 /nfs/dbraw/zinc/57/33/82/464573382.db2.gz YEEJPAJKDSJVOV-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO Cc1c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000175573209 464578614 /nfs/dbraw/zinc/57/86/14/464578614.db2.gz JVTJZMHEILFXGV-UHFFFAOYSA-N 1 0 348.403 2.232 20 5 EEBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265567569 464603588 /nfs/dbraw/zinc/60/35/88/464603588.db2.gz UKMFILOBQDKPAG-GFCCVEGCSA-N 1 0 341.843 2.329 20 5 EEBDRO CCC(=O)c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294908964 464645112 /nfs/dbraw/zinc/64/51/12/464645112.db2.gz IBEHHKDHTRCAEK-CQSZACIVSA-N 1 0 335.404 2.446 20 5 EEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000182408575 464647046 /nfs/dbraw/zinc/64/70/46/464647046.db2.gz XVUGTLPWFCMIJE-DOMZBBRYSA-N 1 0 332.356 2.391 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190861550 464735020 /nfs/dbraw/zinc/73/50/20/464735020.db2.gz XLVOCWLLTKDHPC-MDZLAQPJSA-N 1 0 332.360 2.266 20 5 EEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)CO ZINC000295207210 464746051 /nfs/dbraw/zinc/74/60/51/464746051.db2.gz LSTZTBYPFQYXIM-UHFFFAOYSA-N 1 0 329.784 2.137 20 5 EEBDRO C[C@@H]1SCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248465364 464756848 /nfs/dbraw/zinc/75/68/48/464756848.db2.gz RPPGQIFDFAEPST-RWMBFGLXSA-N 1 0 326.418 2.160 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](C2CCOCC2)CC1 ZINC000276632777 465008736 /nfs/dbraw/zinc/00/87/36/465008736.db2.gz OHEPBNIYNXWZIV-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO C[C@H]1c2nnc(C3CCCC3)n2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000286705067 465011135 /nfs/dbraw/zinc/01/11/35/465011135.db2.gz AGYMJZJUFYINGR-LBPRGKRZSA-N 1 0 345.407 2.117 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593913246 468430678 /nfs/dbraw/zinc/43/06/78/468430678.db2.gz UPOAIVCPEZGKOX-DZKIICNBSA-N 1 0 347.415 2.262 20 5 EEBDRO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000337550932 465428439 /nfs/dbraw/zinc/42/84/39/465428439.db2.gz OGWRPZYJAKXIGB-OLZOCXBDSA-N 1 0 347.423 2.411 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000348239935 465506503 /nfs/dbraw/zinc/50/65/03/465506503.db2.gz QBDAZZCVJRODPJ-KRWDZBQOSA-N 1 0 349.387 2.394 20 5 EEBDRO COc1c(C(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000356795619 465545777 /nfs/dbraw/zinc/54/57/77/465545777.db2.gz DBOLZPQRPLEZEC-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000337799370 465589976 /nfs/dbraw/zinc/58/99/76/465589976.db2.gz HJPAYHXHHZJAIP-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000299143339 465622962 /nfs/dbraw/zinc/62/29/62/465622962.db2.gz ASHMTOFZPSHGCV-CJNGLKHVSA-N 1 0 349.431 2.266 20 5 EEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353107157 465643766 /nfs/dbraw/zinc/64/37/66/465643766.db2.gz NMTQUVGWMPVHKB-OAHLLOKOSA-N 1 0 343.449 2.240 20 5 EEBDRO Cn1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059493 465733967 /nfs/dbraw/zinc/73/39/67/465733967.db2.gz XFHQNJPUJZFRAJ-CABCVRRESA-N 1 0 341.415 2.037 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000338020245 465753061 /nfs/dbraw/zinc/75/30/61/465753061.db2.gz RHDMAOMNFFUNHL-HUUCEWRRSA-N 1 0 332.408 2.460 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361100532 465765267 /nfs/dbraw/zinc/76/52/67/465765267.db2.gz YRNASEUYXHPXIM-GJZGRUSLSA-N 1 0 335.429 2.191 20 5 EEBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344878585 465798001 /nfs/dbraw/zinc/79/80/01/465798001.db2.gz FNOUDSSXJBQEOL-LBPRGKRZSA-N 1 0 344.371 2.358 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000301143134 465909975 /nfs/dbraw/zinc/90/99/75/465909975.db2.gz DIRCLDVRVACKPY-UHFFFAOYSA-N 1 0 338.364 2.202 20 5 EEBDRO Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000348998165 465913261 /nfs/dbraw/zinc/91/32/61/465913261.db2.gz KPWOUMBBHDCERZ-CYBMUJFWSA-N 1 0 326.356 2.367 20 5 EEBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(OCC[NH+](C)C)c1 ZINC000349420099 466104246 /nfs/dbraw/zinc/10/42/46/466104246.db2.gz QFGLOIMCNXVKJN-UHFFFAOYSA-N 1 0 332.360 2.424 20 5 EEBDRO Cc1c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330664 466308289 /nfs/dbraw/zinc/30/82/89/466308289.db2.gz HQIAYRIFCXAVKN-MAUKXSAKSA-N 1 0 346.475 2.361 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472741 466364081 /nfs/dbraw/zinc/36/40/81/466364081.db2.gz UREYHTSPRSQEDE-UKTKYZJWSA-N 1 0 344.459 2.320 20 5 EEBDRO COc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415437054 466679226 /nfs/dbraw/zinc/67/92/26/466679226.db2.gz KGTXNVSFDOHSCW-OLZOCXBDSA-N 1 0 348.403 2.457 20 5 EEBDRO COc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000423491798 466756997 /nfs/dbraw/zinc/75/69/97/466756997.db2.gz KHLBFBXIBKIVDU-UHFFFAOYSA-N 1 0 333.388 2.128 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423535579 466769052 /nfs/dbraw/zinc/76/90/52/466769052.db2.gz DKUZJKJEMUTFGR-KRWDZBQOSA-N 1 0 341.415 2.317 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000423663113 466798540 /nfs/dbraw/zinc/79/85/40/466798540.db2.gz NZEVWSVOAGKGIE-JOCQHMNTSA-N 1 0 335.404 2.407 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411856610 466918797 /nfs/dbraw/zinc/91/87/97/466918797.db2.gz BRTAGJSZEVBSOO-MRXNPFEDSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412038330 466975438 /nfs/dbraw/zinc/97/54/38/466975438.db2.gz HIALIHUVZHEANI-IATRGZMQSA-N 1 0 333.388 2.015 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986328 467011069 /nfs/dbraw/zinc/01/10/69/467011069.db2.gz IETXLHZBGFIGAZ-SNVBAGLBSA-N 1 0 328.800 2.217 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127159 467020721 /nfs/dbraw/zinc/02/07/21/467020721.db2.gz KWAUNEZJUDDUGU-ZFVVBOAOSA-N 1 0 331.416 2.497 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000412222885 467041796 /nfs/dbraw/zinc/04/17/96/467041796.db2.gz SNQOCOKNJVAVAF-ZJIFWQFVSA-N 1 0 349.456 2.202 20 5 EEBDRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000419376707 467194869 /nfs/dbraw/zinc/19/48/69/467194869.db2.gz BJMWOPRFFJURRN-GFCCVEGCSA-N 1 0 339.392 2.289 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@@H](C)C1 ZINC000413253573 467197251 /nfs/dbraw/zinc/19/72/51/467197251.db2.gz VLMCGCFFNALLLW-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)[C@@H](C)C1 ZINC000413253574 467197315 /nfs/dbraw/zinc/19/73/15/467197315.db2.gz VLMCGCFFNALLLW-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000413438766 467242723 /nfs/dbraw/zinc/24/27/23/467242723.db2.gz MHYSRWIXHNPYTK-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](CCCO)C3)n2)cc1 ZINC000452114759 467327932 /nfs/dbraw/zinc/32/79/32/467327932.db2.gz DYAYNIDKKFKDCC-GFCCVEGCSA-N 1 0 332.360 2.239 20 5 EEBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429775573 467369471 /nfs/dbraw/zinc/36/94/71/467369471.db2.gz PZJJNVPIPGHPFO-CJNGLKHVSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345417 467371476 /nfs/dbraw/zinc/37/14/76/467371476.db2.gz WEKISPLXYIQDSD-SUMWQHHRSA-N 1 0 346.431 2.386 20 5 EEBDRO C[NH+](C)CCCC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420609663 467433831 /nfs/dbraw/zinc/43/38/31/467433831.db2.gz KPGBSCOASZKRNI-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430639220 467454527 /nfs/dbraw/zinc/45/45/27/467454527.db2.gz OPJWBZVYWIJOCT-FZMZJTMJSA-N 1 0 331.376 2.347 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN)C1CCCC1 ZINC000415064958 467479079 /nfs/dbraw/zinc/47/90/79/467479079.db2.gz LUBWTFSMNKOPHR-WBMJQRKESA-N 1 0 334.420 2.419 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405348364 467481007 /nfs/dbraw/zinc/48/10/07/467481007.db2.gz MIPRATWLZANYRL-WCQYABFASA-N 1 0 341.433 2.041 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447529714 467587853 /nfs/dbraw/zinc/58/78/53/467587853.db2.gz MHXKWNHGNKRGRG-HUUCEWRRSA-N 1 0 349.435 2.267 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448600283 467595252 /nfs/dbraw/zinc/59/52/52/467595252.db2.gz FMGPMGMIZBEZIS-UHFFFAOYSA-N 1 0 345.403 2.098 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000450245616 467807804 /nfs/dbraw/zinc/80/78/04/467807804.db2.gz SEMNWNHHXZRLBS-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EEBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450259961 467811258 /nfs/dbraw/zinc/81/12/58/467811258.db2.gz YWJLZKLSRKHBPY-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000517558144 468088267 /nfs/dbraw/zinc/08/82/67/468088267.db2.gz AVAMNKMQNDZXCP-TZMCWYRMSA-N 1 0 348.330 2.197 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000532873070 468146521 /nfs/dbraw/zinc/14/65/21/468146521.db2.gz IYVRUHSVTCHXKU-LSDHHAIUSA-N 1 0 347.415 2.089 20 5 EEBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590192594 468221830 /nfs/dbraw/zinc/22/18/30/468221830.db2.gz TVKIUCWERWTNMG-QGZVFWFLSA-N 1 0 336.388 2.397 20 5 EEBDRO Cc1cc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000590390356 468244805 /nfs/dbraw/zinc/24/48/05/468244805.db2.gz YQQUYAHRHOQQGN-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597700571 468644127 /nfs/dbraw/zinc/64/41/27/468644127.db2.gz NQJSBYJGLLQKMF-SWLSCSKDSA-N 1 0 333.388 2.109 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000583203057 468661671 /nfs/dbraw/zinc/66/16/71/468661671.db2.gz JHXCPWINRWLHHE-CYBMUJFWSA-N 1 0 332.360 2.286 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]1 ZINC000592242241 468662525 /nfs/dbraw/zinc/66/25/25/468662525.db2.gz QOWKGVZVJLIILO-CQSZACIVSA-N 1 0 328.372 2.213 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597856641 468694564 /nfs/dbraw/zinc/69/45/64/468694564.db2.gz ZTMHVFCLUBLJPP-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000595045946 468747901 /nfs/dbraw/zinc/74/79/01/468747901.db2.gz WJMDXHUKSIKFOP-LLVKDONJSA-N 1 0 330.406 2.079 20 5 EEBDRO CC[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000559636275 468749301 /nfs/dbraw/zinc/74/93/01/468749301.db2.gz JEAKYQGNNBUNOP-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595088962 468756461 /nfs/dbraw/zinc/75/64/61/468756461.db2.gz MUJSTMOWOYXZDF-OCCSQVGLSA-N 1 0 335.404 2.310 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595102344 468758961 /nfs/dbraw/zinc/75/89/61/468758961.db2.gz KDHSVXPWHNCSCM-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO COC(=O)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000560487680 468817894 /nfs/dbraw/zinc/81/78/94/468817894.db2.gz QKONAKJECNBPLD-UHFFFAOYSA-N 1 0 329.356 2.451 20 5 EEBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000584350771 468852440 /nfs/dbraw/zinc/85/24/40/468852440.db2.gz BSZBHBQHELFCDS-RDJZCZTQSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504196 468879226 /nfs/dbraw/zinc/87/92/26/468879226.db2.gz FYKMOGKAEUFTSQ-RDTXWAMCSA-N 1 0 346.431 2.340 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562018 468914229 /nfs/dbraw/zinc/91/42/29/468914229.db2.gz RQTQYGWNYSOWJX-OAHLLOKOSA-N 1 0 331.416 2.376 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716259 468970653 /nfs/dbraw/zinc/97/06/53/468970653.db2.gz FLGNANGRZAKIFN-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)cn1 ZINC000602700819 469020245 /nfs/dbraw/zinc/02/02/45/469020245.db2.gz ORWNXPXJQSAVHT-UHFFFAOYSA-N 1 0 342.399 2.241 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000602769624 469061810 /nfs/dbraw/zinc/06/18/10/469061810.db2.gz UDSRLJYTUMUVTA-AWEZNQCLSA-N 1 0 330.392 2.078 20 5 EEBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595899810 469071480 /nfs/dbraw/zinc/07/14/80/469071480.db2.gz ZMIYEGZAUNBDNY-GUYJKWIASA-N 1 0 334.372 2.281 20 5 EEBDRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])n3C)C2)cc1 ZINC000601881678 469075211 /nfs/dbraw/zinc/07/52/11/469075211.db2.gz UNGWNLCWBCHKQZ-HNNXBMFYSA-N 1 0 342.399 2.246 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000614938270 469099831 /nfs/dbraw/zinc/09/98/31/469099831.db2.gz FPICUXMLEZQAHG-NSHDSACASA-N 1 0 336.392 2.455 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000602845957 469112860 /nfs/dbraw/zinc/11/28/60/469112860.db2.gz NWAJMRZQFJVWKW-INIZCTEOSA-N 1 0 334.420 2.381 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599141863 469135209 /nfs/dbraw/zinc/13/52/09/469135209.db2.gz SPFIOWFCRMTSIN-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1 ZINC000602016657 469146777 /nfs/dbraw/zinc/14/67/77/469146777.db2.gz IPGKTBNMFRRMIN-LLVKDONJSA-N 1 0 331.294 2.372 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000602953691 469187592 /nfs/dbraw/zinc/18/75/92/469187592.db2.gz CJUZJJDYTABODK-UHFFFAOYSA-N 1 0 335.408 2.058 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611281035 469219278 /nfs/dbraw/zinc/21/92/78/469219278.db2.gz ORAPDUVUGFBTSU-SNVBAGLBSA-N 1 0 347.462 2.027 20 5 EEBDRO C[NH+](C)CC1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000615505007 469251030 /nfs/dbraw/zinc/25/10/30/469251030.db2.gz MNZPUTPBMGOELU-UHFFFAOYSA-N 1 0 335.407 2.315 20 5 EEBDRO O=c1[nH]ccc(NCC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596436675 469266376 /nfs/dbraw/zinc/26/63/76/469266376.db2.gz NVMYFWZGSVOCAP-UHFFFAOYSA-N 1 0 343.387 2.415 20 5 EEBDRO COCCC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599504632 469278350 /nfs/dbraw/zinc/27/83/50/469278350.db2.gz OWXRKNLWOCQXCE-MRXNPFEDSA-N 1 0 338.404 2.083 20 5 EEBDRO CO[C@@]1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000602478188 469333169 /nfs/dbraw/zinc/33/31/69/469333169.db2.gz WFZNATDOCKJINP-QGZVFWFLSA-N 1 0 336.388 2.244 20 5 EEBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C1CC1 ZINC000602544308 469355720 /nfs/dbraw/zinc/35/57/20/469355720.db2.gz OPMIKCSMGXJRFH-ZDUSSCGKSA-N 1 0 333.436 2.031 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)c3ccccc3)CC2)cn1 ZINC000602547916 469356830 /nfs/dbraw/zinc/35/68/30/469356830.db2.gz UYFKHEUORJVSKD-QGZVFWFLSA-N 1 0 342.399 2.282 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000603848404 469436176 /nfs/dbraw/zinc/43/61/76/469436176.db2.gz SCGIBRSBCNXDGW-KRWDZBQOSA-N 1 0 349.431 2.290 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000619543500 469634769 /nfs/dbraw/zinc/63/47/69/469634769.db2.gz XAAVPUGYAUQMOQ-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609963656 469972035 /nfs/dbraw/zinc/97/20/35/469972035.db2.gz ANHXZZREKFZKCR-NSHDSACASA-N 1 0 336.392 2.309 20 5 EEBDRO COC(=O)C1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591736035 485595133 /nfs/dbraw/zinc/59/51/33/485595133.db2.gz GICVUHVGMFUJTC-UHFFFAOYSA-N 1 0 349.387 2.245 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000174507410 527833249 /nfs/dbraw/zinc/83/32/49/527833249.db2.gz LVTMGYIDUUFZHF-CYBMUJFWSA-N 1 0 334.420 2.075 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000173923662 527838542 /nfs/dbraw/zinc/83/85/42/527838542.db2.gz DNTTYVRVMKYHDR-CYBMUJFWSA-N 1 0 345.403 2.418 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236732979 535034683 /nfs/dbraw/zinc/03/46/83/535034683.db2.gz NGKLPDMAYYDHMU-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000265246626 536356624 /nfs/dbraw/zinc/35/66/24/536356624.db2.gz VJPLNAARNMKVOP-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO CC[N@H+](CCC(=O)OC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738099010 577999236 /nfs/dbraw/zinc/99/92/36/577999236.db2.gz GXCLBZCXWWLOHI-UHFFFAOYSA-N 1 0 332.360 2.301 20 5 EEBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581052 577463179 /nfs/dbraw/zinc/46/31/79/577463179.db2.gz CZRPIZMVRCZLLY-YOEHRIQHSA-N 1 0 349.431 2.112 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000776587837 577463397 /nfs/dbraw/zinc/46/33/97/577463397.db2.gz PCDYTDUDCOQQNI-SFHVURJKSA-N 1 0 328.368 2.435 20 5 EEBDRO CN(C)C(=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765403331 577500322 /nfs/dbraw/zinc/50/03/22/577500322.db2.gz NEHUDMSNVNUEET-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000766372571 577518010 /nfs/dbraw/zinc/51/80/10/577518010.db2.gz CVYGCPOMWDQZCH-CHWSQXEVSA-N 1 0 346.387 2.299 20 5 EEBDRO Cn1c(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000769064738 577568515 /nfs/dbraw/zinc/56/85/15/577568515.db2.gz BFUXNIUTBDAUJG-UHFFFAOYSA-N 1 0 335.335 2.361 20 5 EEBDRO COc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001059 577655743 /nfs/dbraw/zinc/65/57/43/577655743.db2.gz YFHBIYGZZCZLGN-GDBMZVCRSA-N 1 0 344.367 2.230 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000754506504 577807290 /nfs/dbraw/zinc/80/72/90/577807290.db2.gz VADXSXBNWHMTSE-HZPDHXFCSA-N 1 0 335.404 2.042 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000754779532 577812842 /nfs/dbraw/zinc/81/28/42/577812842.db2.gz XDKNDNXMNIVEQW-AWEZNQCLSA-N 1 0 345.403 2.354 20 5 EEBDRO COc1ccc(OC)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749670735 577979603 /nfs/dbraw/zinc/97/96/03/577979603.db2.gz LGGUTEVNDCUCGT-INIZCTEOSA-N 1 0 332.356 2.435 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C[C@@H]4CCOC4)CC3)sc2c1 ZINC000750029076 577985880 /nfs/dbraw/zinc/98/58/80/577985880.db2.gz FAROAJDDWVDVEM-LBPRGKRZSA-N 1 0 348.428 2.363 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870422 578125439 /nfs/dbraw/zinc/12/54/39/578125439.db2.gz SXDMDMPRIDKDSH-CQSZACIVSA-N 1 0 336.461 2.086 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823644754 606418921 /nfs/dbraw/zinc/41/89/21/606418921.db2.gz MBEGXILRVOZXAJ-UHFFFAOYSA-N 1 0 346.372 2.005 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821581487 606473746 /nfs/dbraw/zinc/47/37/46/606473746.db2.gz MONWXCBXQCHASO-NWDGAFQWSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000891386252 676536578 /nfs/dbraw/zinc/53/65/78/676536578.db2.gz VQFOHDAIIATEDO-CMPLNLGQSA-N 1 0 342.346 2.200 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000894954144 683432465 /nfs/dbraw/zinc/43/24/65/683432465.db2.gz KFPPLLSFPCYITK-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCc2ccccc2)CC1 ZINC001005382135 1195316292 /nfs/dbraw/zinc/31/62/92/1195316292.db2.gz NIDQZHUIIGWHGS-QZTJIDSGSA-N 1 0 345.443 2.207 20 5 EEBDRO O=C(CC(F)(F)C(F)F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133883173 1199134647 /nfs/dbraw/zinc/13/46/47/1199134647.db2.gz MALIBHIXKZTPDD-UHFFFAOYSA-N 1 0 343.302 2.153 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C(F)(F)F)CC1 ZINC001134211672 1199390290 /nfs/dbraw/zinc/39/02/90/1199390290.db2.gz UPISBYLPDKVKMR-UHFFFAOYSA-N 1 0 337.323 2.205 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000877551459 1199963633 /nfs/dbraw/zinc/96/36/33/1199963633.db2.gz AGVLLXVFLABVKN-HNNXBMFYSA-N 1 0 345.403 2.133 20 5 EEBDRO C[C@@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000877831660 1200136435 /nfs/dbraw/zinc/13/64/35/1200136435.db2.gz VZXWMRHKSPYJIX-MORSLUCNSA-N 1 0 330.384 2.382 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878040783 1200228349 /nfs/dbraw/zinc/22/83/49/1200228349.db2.gz OFFPWWPRJKYFHF-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1C1CC1 ZINC001132972153 1200242131 /nfs/dbraw/zinc/24/21/31/1200242131.db2.gz YARSNGMFRMVORF-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000105599690 1200542412 /nfs/dbraw/zinc/54/24/12/1200542412.db2.gz ACTNTUIUTCEFHE-UHFFFAOYSA-N 1 0 336.348 2.059 20 5 EEBDRO CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133396275 1200855813 /nfs/dbraw/zinc/85/58/13/1200855813.db2.gz ZSZHCNOVCVGJHP-HUUCEWRRSA-N 1 0 339.823 2.332 20 5 EEBDRO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879529201 1201126207 /nfs/dbraw/zinc/12/62/07/1201126207.db2.gz JZEKCDSCOAHEDY-BETUJISGSA-N 1 0 331.372 2.440 20 5 EEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364277 1201500714 /nfs/dbraw/zinc/50/07/14/1201500714.db2.gz QDCCZTBBWBDRNM-NORZTCDRSA-N 1 0 326.368 2.306 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)n1 ZINC000880551878 1201519567 /nfs/dbraw/zinc/51/95/67/1201519567.db2.gz ULATZSKYEOMNDP-OAHLLOKOSA-N 1 0 327.388 2.276 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000884855573 1202366443 /nfs/dbraw/zinc/36/64/43/1202366443.db2.gz KWMNIOFDNXMCRM-ZDUSSCGKSA-N 1 0 338.371 2.353 20 5 EEBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886216028 1202481213 /nfs/dbraw/zinc/48/12/13/1202481213.db2.gz VOCBMRQYVHTQDR-GOSISDBHSA-N 1 0 341.367 2.307 20 5 EEBDRO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000886266853 1202486107 /nfs/dbraw/zinc/48/61/07/1202486107.db2.gz AFOYHAIHEQXORW-QGZVFWFLSA-N 1 0 326.400 2.349 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886944298 1204166611 /nfs/dbraw/zinc/16/66/11/1204166611.db2.gz OKOISKMGEFBNFB-JTQLQIEISA-N 1 0 328.319 2.270 20 5 EEBDRO C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000011381008 1205753298 /nfs/dbraw/zinc/75/32/98/1205753298.db2.gz PLZBDGIGKWEENW-QWRGUYRKSA-N 1 0 349.391 2.431 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CSC ZINC000934673249 1208005638 /nfs/dbraw/zinc/00/56/38/1208005638.db2.gz SSCLHLVMXLYFCP-UHFFFAOYSA-N 1 0 327.406 2.273 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2 ZINC000957550373 1215202664 /nfs/dbraw/zinc/20/26/64/1215202664.db2.gz XRZADUCLXNODRI-BUUOGENGSA-N 1 0 341.839 2.109 20 5 EEBDRO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138899 1229505161 /nfs/dbraw/zinc/50/51/61/1229505161.db2.gz HBVZRHSQPCRXAF-KBUPBQIOSA-N 1 0 337.807 2.050 20 5 EEBDRO CC1(NC(=O)c2cnco2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045516181 1233788867 /nfs/dbraw/zinc/78/88/67/1233788867.db2.gz ICRQDTNZIWKFCO-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)CC1 ZINC001048831850 1238808779 /nfs/dbraw/zinc/80/87/79/1238808779.db2.gz IISRBMZPKYCAPG-GASCZTMLSA-N 1 0 329.400 2.285 20 5 EEBDRO Cc1cccc(C)c1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001395069 1242188261 /nfs/dbraw/zinc/18/82/61/1242188261.db2.gz JEXIVSWWHVDIFZ-SJLPKXTDSA-N 1 0 345.443 2.297 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001001399249 1242195810 /nfs/dbraw/zinc/19/58/10/1242195810.db2.gz KVTVFECQDVFGEN-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO CSCC(=O)N1CC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001050424446 1243568221 /nfs/dbraw/zinc/56/82/21/1243568221.db2.gz PLILKPUIVJAZNN-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO C[NH+](C)C1(C(=O)N[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001097074337 1243660267 /nfs/dbraw/zinc/66/02/67/1243660267.db2.gz YHFZGVGPNXDPJM-HDJSIYSDSA-N 1 0 332.404 2.138 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101406454 1245776183 /nfs/dbraw/zinc/77/61/83/1245776183.db2.gz RHPBHBITHYVEHE-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850562882 1277266393 /nfs/dbraw/zinc/26/63/93/1277266393.db2.gz PWYZBUWOTBTZMI-SJCJKPOMSA-N 1 0 337.420 2.395 20 5 EEBDRO COC(=O)CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000851792172 1291837211 /nfs/dbraw/zinc/83/72/11/1291837211.db2.gz IQKOZBCDQSUCPO-UHFFFAOYSA-N 1 0 340.351 2.278 20 5 EEBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000856476358 1293539919 /nfs/dbraw/zinc/53/99/19/1293539919.db2.gz WGPVGUKXDWYOIR-CYBMUJFWSA-N 1 0 332.404 2.029 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764846 1293910414 /nfs/dbraw/zinc/91/04/14/1293910414.db2.gz CAUPQLNCGKONPI-QWRGUYRKSA-N 1 0 343.330 2.152 20 5 EEBDRO O=C(OCC[NH+]1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000858975599 1294280981 /nfs/dbraw/zinc/28/09/81/1294280981.db2.gz MGUGVXIJHSDPDM-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO Cc1ccc(Nc2cnc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC001213661688 1296127879 /nfs/dbraw/zinc/12/78/79/1296127879.db2.gz TUICPUUOSNCDMC-UHFFFAOYSA-N 1 0 328.376 2.189 20 5 EEBDRO CC(=O)N(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000863573733 1296341688 /nfs/dbraw/zinc/34/16/88/1296341688.db2.gz SWFGFSOPXKNGDD-GOSISDBHSA-N 1 0 343.383 2.401 20 5 EEBDRO CCOC(=O)c1ccc(CO[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223966983 1300357303 /nfs/dbraw/zinc/35/73/03/1300357303.db2.gz QSBLKTJLFLPQOL-MRXNPFEDSA-N 1 0 334.372 2.382 20 5 EEBDRO C[N+](C)(C)CCCOC[C@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001224620236 1300672079 /nfs/dbraw/zinc/67/20/79/1300672079.db2.gz VXGBFIPKOBTZFT-GOSISDBHSA-N 1 0 345.467 2.053 20 5 EEBDRO CCc1cc(Br)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229592196 1302873919 /nfs/dbraw/zinc/87/39/19/1302873919.db2.gz GTHYGXKRRRMJCB-CYBMUJFWSA-N 1 0 345.257 2.374 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC001103430983 1302950066 /nfs/dbraw/zinc/95/00/66/1302950066.db2.gz HUOWONBCWLXUSK-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2ccc3c(C)cc(=O)oc3c2[N+](=O)[O-])C1 ZINC001229946487 1302994827 /nfs/dbraw/zinc/99/48/27/1302994827.db2.gz PAXYEHRZWAMDHE-GFCCVEGCSA-N 1 0 348.355 2.109 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OC(F)(F)F)cc1F ZINC001230567446 1303280673 /nfs/dbraw/zinc/28/06/73/1303280673.db2.gz MZHYWXMKFMJZLG-SECBINFHSA-N 1 0 340.293 2.087 20 5 EEBDRO Cc1nn(CN(C)CC2([NH+](C)C)CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000783548397 1304298204 /nfs/dbraw/zinc/29/82/04/1304298204.db2.gz NJXPEIDPLAXYCE-UHFFFAOYSA-N 1 0 332.408 2.022 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233818157 1304602721 /nfs/dbraw/zinc/60/27/21/1304602721.db2.gz CVKVJONCYQLSFQ-UHFFFAOYSA-N 1 0 346.387 2.452 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(F)(F)F)nc1Cl ZINC001234306539 1304856028 /nfs/dbraw/zinc/85/60/28/1304856028.db2.gz PXJIFZLPWYRVCE-MRVPVSSYSA-N 1 0 341.737 2.116 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c2c1C(=O)NC2 ZINC001234458736 1304929606 /nfs/dbraw/zinc/92/96/06/1304929606.db2.gz HLRWBZGOTHJNCP-SECBINFHSA-O 1 0 328.230 2.166 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)n1 ZINC001234879304 1305044375 /nfs/dbraw/zinc/04/43/75/1305044375.db2.gz NZYIYZXIGIANIK-LBPRGKRZSA-N 1 0 337.376 2.021 20 5 EEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001116922822 1305930752 /nfs/dbraw/zinc/93/07/52/1305930752.db2.gz CBHSSJSJKJDXNR-UHFFFAOYSA-N 1 0 344.419 2.311 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C[NH2+]CC2 ZINC001118123614 1306289486 /nfs/dbraw/zinc/28/94/86/1306289486.db2.gz NNZUYXPXJRHXLQ-UHFFFAOYSA-N 1 0 340.383 2.082 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118261580 1306327465 /nfs/dbraw/zinc/32/74/65/1306327465.db2.gz YRKNSZINUIJCQO-VHSXEESVSA-N 1 0 329.784 2.130 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC001120608863 1309642368 /nfs/dbraw/zinc/64/23/68/1309642368.db2.gz WEDPSFRUGTULDU-LSDHHAIUSA-N 1 0 335.404 2.256 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3CNCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001246103133 1310236443 /nfs/dbraw/zinc/23/64/43/1310236443.db2.gz UUQGZCFAAAXGMQ-CZUORRHYSA-N 1 0 348.447 2.160 20 5 EEBDRO [NH3+]C1CC2(C1)CC(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001122522354 1310319184 /nfs/dbraw/zinc/31/91/84/1310319184.db2.gz NOXOVCULRWGSPD-UHFFFAOYSA-N 1 0 341.770 2.316 20 5 EEBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCc3cccc([N+](=O)[O-])c3)C[N@@H+]2C1 ZINC001123677504 1310673218 /nfs/dbraw/zinc/67/32/18/1310673218.db2.gz KJLHQOZLSCLRLB-VNQPRFMTSA-N 1 0 331.416 2.374 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000830074538 1314525425 /nfs/dbraw/zinc/52/54/25/1314525425.db2.gz KKWPOEDJTYQLIO-OKILXGFUSA-N 1 0 337.420 2.144 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102825 1315475742 /nfs/dbraw/zinc/47/57/42/1315475742.db2.gz KGDSKFUIPJFVNQ-WPRPVWTQSA-N 1 0 330.747 2.412 20 5 EEBDRO COc1ccc([C@H]2[C@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000842305754 1315685642 /nfs/dbraw/zinc/68/56/42/1315685642.db2.gz BMRHXCXLOUGUGF-SVGFKBNWSA-N 1 0 348.399 2.287 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000843086988 1315837979 /nfs/dbraw/zinc/83/79/79/1315837979.db2.gz HPRRYPZLAKEKCR-AEFFLSMTSA-N 1 0 346.383 2.048 20 5 EEBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094737 1315840502 /nfs/dbraw/zinc/84/05/02/1315840502.db2.gz LGAKICWVJSFOFS-WMZOPIPTSA-N 1 0 330.384 2.130 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[C@H]([NH3+])c3ccccc3)n2)n1C ZINC000843221360 1315869738 /nfs/dbraw/zinc/86/97/38/1315869738.db2.gz IBQZCRPFAQFXCR-SKDRFNHKSA-N 1 0 342.359 2.490 20 5 EEBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843349209 1315895901 /nfs/dbraw/zinc/89/59/01/1315895901.db2.gz LWEYALYUPDALOJ-UHFFFAOYSA-N 1 0 340.811 2.118 20 5 EEBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccncc4[N+](=O)[O-])nc32)CC1 ZINC001250939006 1317376486 /nfs/dbraw/zinc/37/64/86/1317376486.db2.gz JDTUAEFAZVOKED-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO COC(=O)c1ccnc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001155255958 1317526124 /nfs/dbraw/zinc/52/61/24/1317526124.db2.gz YPRKQDRVPZGBBZ-SECBINFHSA-N 1 0 341.327 2.135 20 5 EEBDRO COc1cnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001155454397 1317603115 /nfs/dbraw/zinc/60/31/15/1317603115.db2.gz UKFZNRGJJPBBOT-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCc4nccn4CC3)CC2)cc1 ZINC001254481140 1318084658 /nfs/dbraw/zinc/08/46/58/1318084658.db2.gz UTTCDRJHXZOWON-UHFFFAOYSA-N 1 0 341.415 2.318 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC001254558487 1318121435 /nfs/dbraw/zinc/12/14/35/1318121435.db2.gz BPHXECWEOHEVDL-OAHLLOKOSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001254560757 1318121976 /nfs/dbraw/zinc/12/19/76/1318121976.db2.gz XOXZOQUEBSYPAX-GFCCVEGCSA-N 1 0 326.418 2.035 20 5 EEBDRO COc1cccc([C@@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254577632 1318127666 /nfs/dbraw/zinc/12/76/66/1318127666.db2.gz FZHQNXATJQUCRI-CRAIPNDOSA-N 1 0 328.368 2.394 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254580043 1318128971 /nfs/dbraw/zinc/12/89/71/1318128971.db2.gz ADHPMAQCHLYHIE-PBHICJAKSA-N 1 0 341.367 2.351 20 5 EEBDRO COC(=O)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254580045 1318129484 /nfs/dbraw/zinc/12/94/84/1318129484.db2.gz ADHPMAQCHLYHIE-WMLDXEAASA-N 1 0 341.367 2.351 20 5 EEBDRO CCOC(=O)C1(F)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600012 1318139816 /nfs/dbraw/zinc/13/98/16/1318139816.db2.gz OMJBDMTYSYEXPL-HNNXBMFYSA-N 1 0 336.363 2.429 20 5 EEBDRO O=C1NCCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254609822 1318144554 /nfs/dbraw/zinc/14/45/54/1318144554.db2.gz YXFMKHCLAWWYIK-HNNXBMFYSA-N 1 0 331.372 2.027 20 5 EEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001254767502 1318184218 /nfs/dbraw/zinc/18/42/18/1318184218.db2.gz AAHJECKXNONGIP-UHFFFAOYSA-N 1 0 341.371 2.420 20 5 EEBDRO O=C(/C=C/c1ccc[nH]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157080092 1318388079 /nfs/dbraw/zinc/38/80/79/1318388079.db2.gz BZPCGZRIQPSFFJ-CMDGGOBGSA-N 1 0 328.372 2.232 20 5 EEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001256035473 1318612240 /nfs/dbraw/zinc/61/22/40/1318612240.db2.gz NEXBBMWDYIUSKE-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO Nc1cc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001157432219 1318636325 /nfs/dbraw/zinc/63/63/25/1318636325.db2.gz BLCAJJDGRODPKY-AWEZNQCLSA-N 1 0 327.388 2.331 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157692742 1318802393 /nfs/dbraw/zinc/80/23/93/1318802393.db2.gz SFEXOJLLONNJOM-HIFBNBFRSA-N 1 0 345.447 2.300 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]([NH3+])[C@H]1C ZINC001157733637 1318825647 /nfs/dbraw/zinc/82/56/47/1318825647.db2.gz RFHDFSVRRJRSIJ-SCZZXKLOSA-N 1 0 342.783 2.136 20 5 EEBDRO Cc1cc(N2CC[C@](F)(C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157816333 1318881663 /nfs/dbraw/zinc/88/16/63/1318881663.db2.gz IJGLYJYVMIFTDH-INIZCTEOSA-N 1 0 331.351 2.237 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCNc3ccccc32)nc1C1C[NH2+]C1 ZINC001157840190 1318900560 /nfs/dbraw/zinc/90/05/60/1318900560.db2.gz RLKKHVKFLYRIQX-ZDUSSCGKSA-N 1 0 326.360 2.040 20 5 EEBDRO CN(C)/C=C/c1cc(-n2cnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001158008588 1318969042 /nfs/dbraw/zinc/96/90/42/1318969042.db2.gz HEWQRNVOGLYGPW-AATRIKPKSA-N 1 0 338.371 2.320 20 5 EEBDRO [NH3+]Cc1ccc2c(n1)N(c1cnc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001158649488 1319355033 /nfs/dbraw/zinc/35/50/33/1319355033.db2.gz LRBZHTRGHLONRF-UHFFFAOYSA-N 1 0 336.355 2.476 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159031701 1319568951 /nfs/dbraw/zinc/56/89/51/1319568951.db2.gz LTDKGNKBWCEGNA-UHFFFAOYSA-N 1 0 325.372 2.171 20 5 EEBDRO O=C(CCc1cccnc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161930782 1320681310 /nfs/dbraw/zinc/68/13/10/1320681310.db2.gz BWHNRHGQSVHZAH-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001161935261 1320682811 /nfs/dbraw/zinc/68/28/11/1320682811.db2.gz VIGYAGZBYFSNFO-UHFFFAOYSA-N 1 0 340.339 2.487 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cn21 ZINC001162965606 1320999183 /nfs/dbraw/zinc/99/91/83/1320999183.db2.gz KWACHOVRVJZWON-CQSZACIVSA-N 1 0 345.403 2.203 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCO[C@]3(CC[NH2+]C3)C1)CCCC2 ZINC001163308902 1321093902 /nfs/dbraw/zinc/09/39/02/1321093902.db2.gz FPQKCVHQFGJWIS-CXAGYDPISA-N 1 0 332.404 2.192 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163321865 1321097036 /nfs/dbraw/zinc/09/70/36/1321097036.db2.gz DZOJKPNXEBXKHG-TVQRCGJNSA-N 1 0 346.309 2.332 20 5 EEBDRO CN(C)c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c([N+](=O)[O-])c1 ZINC001163650289 1321181146 /nfs/dbraw/zinc/18/11/46/1321181146.db2.gz NZTKMNUKRGIWSF-DLBZAZTESA-N 1 0 334.420 2.374 20 5 EEBDRO COc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001163670035 1321187480 /nfs/dbraw/zinc/18/74/80/1321187480.db2.gz ZSUFMTVZARCBJV-HNNXBMFYSA-N 1 0 328.372 2.492 20 5 EEBDRO N=c1sc2c(n1-c1ccc3ccc([N+](=O)[O-])cc3n1)CC[NH2+]C2 ZINC001166859630 1321803393 /nfs/dbraw/zinc/80/33/93/1321803393.db2.gz KBKSQYCAUCGFLD-UHFFFAOYSA-N 1 0 327.369 2.120 20 5 EEBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001261435713 1322102720 /nfs/dbraw/zinc/10/27/20/1322102720.db2.gz CNLDOXNXBVFGCI-YQFWSFKMSA-N 1 0 338.452 2.450 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001317990446 1332458178 /nfs/dbraw/zinc/45/81/78/1332458178.db2.gz PECNLDCNRVREOD-ZDUSSCGKSA-N 1 0 334.420 2.488 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001321869793 1333171158 /nfs/dbraw/zinc/17/11/58/1333171158.db2.gz YNUDBZQEWSPOCM-KCPJHIHWSA-N 1 0 349.387 2.243 20 5 EEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609163331 1351871315 /nfs/dbraw/zinc/87/13/15/1351871315.db2.gz XPNMVFDHEIBZSV-TXEJJXNPSA-N 1 0 345.407 2.450 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001326029836 1334017087 /nfs/dbraw/zinc/01/70/87/1334017087.db2.gz AYUHACYXOQPJHQ-KGLIPLIRSA-N 1 0 346.431 2.488 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609210024 1351893269 /nfs/dbraw/zinc/89/32/69/1351893269.db2.gz SLGJWKHYOLVUJP-LLVKDONJSA-N 1 0 333.396 2.307 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001326881336 1334175981 /nfs/dbraw/zinc/17/59/81/1334175981.db2.gz GGQZFJOGHGWFSW-QGZVFWFLSA-N 1 0 340.383 2.253 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001327544812 1334312516 /nfs/dbraw/zinc/31/25/16/1334312516.db2.gz UEKXXVDVHCFIDD-LSDHHAIUSA-N 1 0 334.420 2.386 20 5 EEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NOCC[NH+](C)C ZINC001330818572 1334908592 /nfs/dbraw/zinc/90/85/92/1334908592.db2.gz FPYNZQPYWTYMBN-UHFFFAOYSA-N 1 0 327.406 2.320 20 5 EEBDRO CCOc1ccc(C(=O)N(CCC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001331992313 1335698676 /nfs/dbraw/zinc/69/86/76/1335698676.db2.gz XJZLUASWGYCOKI-UHFFFAOYSA-N 1 0 349.309 2.347 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC001335366488 1336367928 /nfs/dbraw/zinc/36/79/28/1336367928.db2.gz IOYXWPXHMZXDEQ-KRWDZBQOSA-N 1 0 342.399 2.413 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC001336697013 1336582876 /nfs/dbraw/zinc/58/28/76/1336582876.db2.gz BQFQPXZBJLLAKN-UHFFFAOYSA-N 1 0 346.431 2.453 20 5 EEBDRO Cc1cccnc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336724201 1336585764 /nfs/dbraw/zinc/58/57/64/1336585764.db2.gz ZXIAOMBNPHTDGN-ZIAGYGMSSA-N 1 0 331.372 2.389 20 5 EEBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001336794997 1336596264 /nfs/dbraw/zinc/59/62/64/1336596264.db2.gz QESIZHDHQINWEO-SJORKVTESA-N 1 0 334.347 2.265 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001338314294 1336839277 /nfs/dbraw/zinc/83/92/77/1336839277.db2.gz OVCAXMCPUQBHBP-UHFFFAOYSA-N 1 0 329.360 2.474 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001338551806 1336875764 /nfs/dbraw/zinc/87/57/64/1336875764.db2.gz OVEVKYBVOIMDCL-GOEBONIOSA-N 1 0 331.372 2.470 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001338984154 1336940815 /nfs/dbraw/zinc/94/08/15/1336940815.db2.gz SUNUKEWDDQFQPV-HNNXBMFYSA-N 1 0 349.435 2.075 20 5 EEBDRO C[C@H](COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCCC1 ZINC000847964090 1338407297 /nfs/dbraw/zinc/40/72/97/1338407297.db2.gz WSYSYJXRUKVWNZ-LLVKDONJSA-N 1 0 336.344 2.355 20 5 EEBDRO CC(C)Oc1cc(C(=O)NCc2cc(N)cc[nH+]2)ccc1[N+](=O)[O-] ZINC001575798357 1343888012 /nfs/dbraw/zinc/88/80/12/1343888012.db2.gz HXQVEUDWJHDYTK-UHFFFAOYSA-N 1 0 330.344 2.289 20 5 EEBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001576648004 1344044781 /nfs/dbraw/zinc/04/47/81/1344044781.db2.gz KRAIBDQVXWGAOG-HZSPNIEDSA-N 1 0 335.404 2.338 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001577308061 1344126308 /nfs/dbraw/zinc/12/63/08/1344126308.db2.gz KEGKNBCXZVYLKP-CHWSQXEVSA-N 1 0 329.360 2.312 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC12CC[NH2+]CC2 ZINC001578189804 1344249369 /nfs/dbraw/zinc/24/93/69/1344249369.db2.gz TYDYKPUPSGKQTF-UHFFFAOYSA-N 1 0 334.376 2.353 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001578606311 1344291309 /nfs/dbraw/zinc/29/13/09/1344291309.db2.gz BIOPALVBWNUIBY-LURJTMIESA-N 1 0 336.150 2.475 20 5 EEBDRO Cn1cc(CN[C@@H](C[NH3+])c2ccc3ccccc3c2)c([N+](=O)[O-])n1 ZINC001579964989 1344440192 /nfs/dbraw/zinc/44/01/92/1344440192.db2.gz VZSIMQGLOBILIE-INIZCTEOSA-N 1 0 325.372 2.271 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001589137279 1348964660 /nfs/dbraw/zinc/96/46/60/1348964660.db2.gz XVCUWLCRMOERGM-JTQLQIEISA-N 1 0 331.380 2.060 20 5 EEBDRO O=[N+]([O-])c1cc(NCC2CC[NH+](C3CC3)CC2)ccc1-c1nn[nH]n1 ZINC001593474868 1349809116 /nfs/dbraw/zinc/80/91/16/1349809116.db2.gz UYAVHOMDQQOUTM-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001603224094 1350664932 /nfs/dbraw/zinc/66/49/32/1350664932.db2.gz SNWKXKWDPHTOGG-HNNXBMFYSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603518829 1350715411 /nfs/dbraw/zinc/71/54/11/1350715411.db2.gz WPQICTZSBKXWDH-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001605073282 1351073012 /nfs/dbraw/zinc/07/30/12/1351073012.db2.gz XKPMDXABNPGQAC-GFCCVEGCSA-N 1 0 346.391 2.023 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001607081599 1351410017 /nfs/dbraw/zinc/41/00/17/1351410017.db2.gz HZMIPYJBNSLNQF-ZDUSSCGKSA-N 1 0 343.391 2.204 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1scnc1C1CC1 ZINC001134995492 1367983957 /nfs/dbraw/zinc/98/39/57/1367983957.db2.gz APFGSWGEJGJPHB-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798405200 1371582969 /nfs/dbraw/zinc/58/29/69/1371582969.db2.gz SPDCXDJXEULUJQ-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000799350822 1371647678 /nfs/dbraw/zinc/64/76/78/1371647678.db2.gz YBJJCEKGLJEMNU-HNNXBMFYSA-N 1 0 346.383 2.392 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087913 1371858988 /nfs/dbraw/zinc/85/89/88/1371858988.db2.gz ZVPVRPJRDPBLHY-YVXVDGILSA-N 1 0 335.448 2.249 20 5 EEBDRO Cc1ccc(CNC(=O)C2(C(F)(F)F)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001342307680 1372943591 /nfs/dbraw/zinc/94/35/91/1372943591.db2.gz QCMMTOBZXYVWNQ-UHFFFAOYSA-N 1 0 345.321 2.452 20 5 EEBDRO Nc1ccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001580265500 1403856164 /nfs/dbraw/zinc/85/61/64/1403856164.db2.gz KVJJOWPUGUGODF-LBPRGKRZSA-N 1 0 326.356 2.270 20 5 EEBDRO O=[N+]([O-])c1c(NCc2nccc3ccccc32)ncnc1C1C[NH2+]C1 ZINC001167703122 761906300 /nfs/dbraw/zinc/90/63/00/761906300.db2.gz GINYOIHDPDFCDW-UHFFFAOYSA-N 1 0 336.355 2.232 20 5 EEBDRO N=c1cc(C[NH3+])ccn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001167689485 761521170 /nfs/dbraw/zinc/52/11/70/761521170.db2.gz HZFXIROWBJVDPD-UHFFFAOYSA-N 1 0 328.250 2.222 20 5 EEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1csc([N+](=O)[O-])c1 ZINC000918696708 769325162 /nfs/dbraw/zinc/32/51/62/769325162.db2.gz GONUCXPJSKBVCL-CYBMUJFWSA-N 1 0 339.417 2.030 20 5 EEBDRO Cc1ccc(CCC[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981137395 776583142 /nfs/dbraw/zinc/58/31/42/776583142.db2.gz SGLISJBPNLHUQP-QZTJIDSGSA-N 1 0 345.443 2.127 20 5 EEBDRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000846933178 790736881 /nfs/dbraw/zinc/73/68/81/790736881.db2.gz WDCUIAAAMYHGCW-DLBZAZTESA-N 1 0 344.415 2.487 20 5 EEBDRO CCOC(=O)C1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809733372 783316424 /nfs/dbraw/zinc/31/64/24/783316424.db2.gz UMAKDLWPFPGDFH-XUJLQICISA-N 1 0 336.388 2.340 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC000997771000 791040128 /nfs/dbraw/zinc/04/01/28/791040128.db2.gz FBIZDQDCSCPVOG-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817497023 784818991 /nfs/dbraw/zinc/81/89/91/784818991.db2.gz XITUWNHYXFHGAA-LLVKDONJSA-N 1 0 343.786 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817907124 785061591 /nfs/dbraw/zinc/06/15/91/785061591.db2.gz KFLIPCKYFNUCOQ-LSDHHAIUSA-N 1 0 325.796 2.105 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082832 785394466 /nfs/dbraw/zinc/39/44/66/785394466.db2.gz SPDBSNIVJNLKIO-RDJZCZTQSA-N 1 0 328.372 2.394 20 5 EEBDRO COC(=O)c1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819200143 785459344 /nfs/dbraw/zinc/45/93/44/785459344.db2.gz LGTHLRVCNRXJOC-KRWDZBQOSA-N 1 0 344.367 2.247 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107279872 786698345 /nfs/dbraw/zinc/69/83/45/786698345.db2.gz DXUJCXPBRLUJHD-PLNGDYQASA-N 1 0 338.383 2.160 20 5 EEBDRO C[NH+](C)CC1(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000823961748 787989034 /nfs/dbraw/zinc/98/90/34/787989034.db2.gz KGYFUDHMXYPRLR-UHFFFAOYSA-N 1 0 335.408 2.421 20 5 EEBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000824002953 788014660 /nfs/dbraw/zinc/01/46/60/788014660.db2.gz JUIWFUPWZKJHLC-LBPRGKRZSA-N 1 0 335.408 2.421 20 5 EEBDRO CNc1nccc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912808461 788367771 /nfs/dbraw/zinc/36/77/71/788367771.db2.gz ZAWHTMKPMLMYOS-OCCSQVGLSA-N 1 0 349.435 2.224 20 5 EEBDRO Cn1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc([N+](=O)[O-])c1=O ZINC001171094168 788710561 /nfs/dbraw/zinc/71/05/61/788710561.db2.gz NKKGTHUYUGMWRJ-NSHDSACASA-N 1 0 338.367 2.053 20 5 EEBDRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000913535565 788967490 /nfs/dbraw/zinc/96/74/90/788967490.db2.gz NUUWVMVKDNFBFO-PHIMTYICSA-N 1 0 341.314 2.115 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168547174 789163934 /nfs/dbraw/zinc/16/39/34/789163934.db2.gz AESOBBHXPVBHDW-LLVKDONJSA-N 1 0 342.355 2.361 20 5 EEBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000844742664 789341397 /nfs/dbraw/zinc/34/13/97/789341397.db2.gz QQRPKGMGKJTKCT-KRWDZBQOSA-N 1 0 343.431 2.224 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923445011 789554846 /nfs/dbraw/zinc/55/48/46/789554846.db2.gz SRKJACJKLUUPOS-RDBSUJKOSA-N 1 0 334.420 2.303 20 5 EEBDRO Cc1ccc(CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000923559217 789768609 /nfs/dbraw/zinc/76/86/09/789768609.db2.gz JGDJPACYUMVYDT-RTBURBONSA-N 1 0 341.411 2.238 20 5 EEBDRO CCc1cccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000845936985 790001451 /nfs/dbraw/zinc/00/14/51/790001451.db2.gz NRQJXVZMGQCNOR-QZTJIDSGSA-N 1 0 330.384 2.341 20 5 EEBDRO CCc1ccnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001128010248 791578897 /nfs/dbraw/zinc/57/88/97/791578897.db2.gz XEWWKYKYIIGGSV-UHFFFAOYSA-N 1 0 328.372 2.072 20 5 EEBDRO Cc1[nH]nc(C(C)C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147114513 791684431 /nfs/dbraw/zinc/68/44/31/791684431.db2.gz QIAAFIGZJHKVPJ-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EEBDRO CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699191 792261906 /nfs/dbraw/zinc/26/19/06/792261906.db2.gz AAKMGHRUVZDXAL-HZPDHXFCSA-N 1 0 337.464 2.402 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NCCCNc2ccccc2[N+](=O)[O-])C1 ZINC001094783876 796577553 /nfs/dbraw/zinc/57/75/53/796577553.db2.gz AYWXBJNUXLXMRO-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CC(C)(CC(=O)N1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001171492389 796599861 /nfs/dbraw/zinc/59/98/61/796599861.db2.gz ZGCYTXXRGXTTSH-UHFFFAOYSA-N 1 0 332.404 2.401 20 5 EEBDRO CCc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001171555588 796638387 /nfs/dbraw/zinc/63/83/87/796638387.db2.gz RGCSYIBMVKQPHD-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO C[N@H+](CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001094853330 796779472 /nfs/dbraw/zinc/77/94/72/796779472.db2.gz LAJRZLRWYAHKHK-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC(=O)N1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C ZINC001172922205 797152775 /nfs/dbraw/zinc/15/27/75/797152775.db2.gz XHOGJYFTCNGBDM-CXAGYDPISA-N 1 0 331.416 2.395 20 5 EEBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1O ZINC001173010104 797195361 /nfs/dbraw/zinc/19/53/61/797195361.db2.gz MNEDRGMWRKBFPH-BONVTDFDSA-N 1 0 341.358 2.154 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CN3CCC2CC3)c1F ZINC001173175837 797277276 /nfs/dbraw/zinc/27/72/76/797277276.db2.gz DQLHIIXTRKLVGN-RISCZKNCSA-N 1 0 337.395 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c1F ZINC001173181326 797279354 /nfs/dbraw/zinc/27/93/54/797279354.db2.gz OMZKOWPRZPNVPA-ZKYQVNSYSA-N 1 0 344.358 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)c2ccccn2)c1F ZINC001173183709 797280114 /nfs/dbraw/zinc/28/01/14/797280114.db2.gz NGVDSWARQFNRBM-BXUZGUMPSA-N 1 0 349.362 2.392 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCOC[C@H]2F)c1F ZINC001173185606 797280370 /nfs/dbraw/zinc/28/03/70/797280370.db2.gz AZWQQSIRDGJJBL-WCQGTBRESA-N 1 0 330.331 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@H+](C)[C@H](C)C2)c1F ZINC001173197634 797284427 /nfs/dbraw/zinc/28/44/27/797284427.db2.gz VVIHRKGGQKGSIV-NWDGAFQWSA-N 1 0 325.384 2.309 20 5 EEBDRO Cc1ncc(CO)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC001173216840 797296820 /nfs/dbraw/zinc/29/68/20/797296820.db2.gz JRIHOVVTHMPGMY-NSHDSACASA-N 1 0 331.372 2.217 20 5 EEBDRO Cc1cc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H]2CC[NH2+]C2)ncn1 ZINC001173237048 797321391 /nfs/dbraw/zinc/32/13/91/797321391.db2.gz HBNKUZPNAVDGPJ-YOEHRIQHSA-N 1 0 341.415 2.493 20 5 EEBDRO Cc1cc(NC2CCN(C(=O)CCC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001095246111 797557758 /nfs/dbraw/zinc/55/77/58/797557758.db2.gz DCGNXJOLASFSPF-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1C ZINC001150491640 798041312 /nfs/dbraw/zinc/04/13/12/798041312.db2.gz AIQPSDGTEBJRQS-UHFFFAOYSA-N 1 0 330.388 2.070 20 5 EEBDRO Cc1ncc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC001002465105 798113744 /nfs/dbraw/zinc/11/37/44/798113744.db2.gz ILTGXHRZTLSVCH-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154457980 798290275 /nfs/dbraw/zinc/29/02/75/798290275.db2.gz NWJLDXFYIRMBID-LSDHHAIUSA-N 1 0 336.388 2.434 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001002786566 798607684 /nfs/dbraw/zinc/60/76/84/798607684.db2.gz CAXBNMFPELYQIX-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001168737244 802288435 /nfs/dbraw/zinc/28/84/35/802288435.db2.gz RAWMXOVOHIQWJO-UHFFFAOYSA-N 1 0 331.298 2.208 20 5 EEBDRO Cc1conc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086247099 802595495 /nfs/dbraw/zinc/59/54/95/802595495.db2.gz BRTMDTJYZGZPEI-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000866977178 802868022 /nfs/dbraw/zinc/86/80/22/802868022.db2.gz NZVACXUOSQNJOQ-OAHLLOKOSA-N 1 0 349.406 2.467 20 5 EEBDRO Cc1nn(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)c1Br ZINC001168968416 803553344 /nfs/dbraw/zinc/55/33/44/803553344.db2.gz YWIHETUMRJOQIJ-VXGBXAGGSA-N 1 0 345.241 2.297 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169013859 803571373 /nfs/dbraw/zinc/57/13/73/803571373.db2.gz WWXVJDVGUUMJOS-KGLIPLIRSA-N 1 0 339.436 2.375 20 5 EEBDRO CN(CC1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169013406 803571574 /nfs/dbraw/zinc/57/15/74/803571574.db2.gz UWQYUJYZIDMFBD-GXTWGEPZSA-N 1 0 327.425 2.231 20 5 EEBDRO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2C1 ZINC001169026996 803574327 /nfs/dbraw/zinc/57/43/27/803574327.db2.gz OQSDJDJHXPOKQY-JJXSEGSLSA-N 1 0 347.415 2.261 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034963 803579530 /nfs/dbraw/zinc/57/95/30/803579530.db2.gz IXDYJUXEFPXDQQ-IHRRRGAJSA-N 1 0 327.425 2.278 20 5 EEBDRO C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042847 803584487 /nfs/dbraw/zinc/58/44/87/803584487.db2.gz GMRGNKWUPAAEHH-CEXWTWQISA-N 1 0 347.459 2.265 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccsc1 ZINC001169026432 803592389 /nfs/dbraw/zinc/59/23/89/803592389.db2.gz WYYUTOXDXCISEF-XPCVCDNBSA-N 1 0 335.429 2.088 20 5 EEBDRO CC(=O)N1CCc2cc(NCC34CC[NH+](CC3)CC4)cc([N+](=O)[O-])c21 ZINC001169803272 804059888 /nfs/dbraw/zinc/05/98/88/804059888.db2.gz UXNVRYUQOMGXQX-UHFFFAOYSA-N 1 0 344.415 2.402 20 5 EEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000788921493 807762541 /nfs/dbraw/zinc/76/25/41/807762541.db2.gz XELOZZMAWNBCHT-LBPRGKRZSA-N 1 0 349.478 2.301 20 5 EEBDRO COc1cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC001170281598 809878308 /nfs/dbraw/zinc/87/83/08/809878308.db2.gz GACZNNYJGBKOGZ-BZUAXINKSA-N 1 0 339.392 2.049 20 5 EEBDRO COCCn1cnc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170323385 809890231 /nfs/dbraw/zinc/89/02/31/809890231.db2.gz JHFZIXQEANHQIE-ZDUSSCGKSA-N 1 0 348.403 2.167 20 5 EEBDRO CCOC(=O)C1=C(Nc2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC001170513680 812032416 /nfs/dbraw/zinc/03/24/16/812032416.db2.gz VKFKNKYMFUTPEV-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c3cnccc23)CC[NH2+]C1 ZINC001170516752 812077332 /nfs/dbraw/zinc/07/73/32/812077332.db2.gz XXDPTTAJXKCODU-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO COCc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001130944653 812225134 /nfs/dbraw/zinc/22/51/34/812225134.db2.gz WBHLERDXESYPFZ-UHFFFAOYSA-N 1 0 343.383 2.261 20 5 EEBDRO C[C@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170562669 812886881 /nfs/dbraw/zinc/88/68/81/812886881.db2.gz JFEJNOGOUWLPNX-BLLLJJGKSA-N 1 0 328.372 2.446 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522810591 1119509809 /nfs/dbraw/zinc/50/98/09/1119509809.db2.gz NBBGGRFOHCQKFC-INIZCTEOSA-N 1 0 327.384 2.464 20 5 EEBDRO CN(CC1CC[NH2+]CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001524112965 1119985200 /nfs/dbraw/zinc/98/52/00/1119985200.db2.gz RURWROQHYYRWAR-UHFFFAOYSA-N 1 0 343.786 2.388 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000175012239 231366728 /nfs/dbraw/zinc/36/67/28/231366728.db2.gz SICAUWKOLVZMFI-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000178568234 232264298 /nfs/dbraw/zinc/26/42/98/232264298.db2.gz MJEYNNXYRQAYHZ-SMDDNHRTSA-N 1 0 327.344 2.022 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181840477 234346347 /nfs/dbraw/zinc/34/63/47/234346347.db2.gz ZVIGNZYPJNYVRV-YDHLFZDLSA-N 1 0 335.404 2.238 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000072603292 216281336 /nfs/dbraw/zinc/28/13/36/216281336.db2.gz AMQQDHWNBQDAAE-AWEZNQCLSA-N 1 0 338.795 2.331 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000072609374 216281399 /nfs/dbraw/zinc/28/13/99/216281399.db2.gz RLUXIZBDMYXFDW-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420295718 239722323 /nfs/dbraw/zinc/72/23/23/239722323.db2.gz VZPKBVLOCNVJMH-QWRGUYRKSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1C[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000422632001 240167697 /nfs/dbraw/zinc/16/76/97/240167697.db2.gz GEOHEYPWZHQTHQ-MBNYWOFBSA-N 1 0 345.403 2.450 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422685028 240176727 /nfs/dbraw/zinc/17/67/27/240176727.db2.gz GBQYJMSOQUALMF-SNVBAGLBSA-N 1 0 329.809 2.290 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422802765 240235739 /nfs/dbraw/zinc/23/57/39/240235739.db2.gz CARMGRMCFDFNPG-GFCCVEGCSA-N 1 0 328.372 2.263 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000423953201 240755805 /nfs/dbraw/zinc/75/58/05/240755805.db2.gz JHZITSMCCPOESI-CQSZACIVSA-N 1 0 325.796 2.424 20 5 EEBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423971859 240766187 /nfs/dbraw/zinc/76/61/87/240766187.db2.gz KRIJPARYUARIAB-QWHCGFSZSA-N 1 0 331.397 2.450 20 5 EEBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425490851 241146818 /nfs/dbraw/zinc/14/68/18/241146818.db2.gz ZGWAVVCZLFWHJM-INIZCTEOSA-N 1 0 337.420 2.254 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447505876 242281900 /nfs/dbraw/zinc/28/19/00/242281900.db2.gz BAALNZXZIYWFGI-FOGDFJRCSA-N 1 0 341.795 2.272 20 5 EEBDRO CCNC(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447601791 242292818 /nfs/dbraw/zinc/29/28/18/242292818.db2.gz RCJJLHLRRPQOLP-KBPBESRZSA-N 1 0 349.435 2.171 20 5 EEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000109980333 220007093 /nfs/dbraw/zinc/00/70/93/220007093.db2.gz AHXFEDVXMBJCMW-UHFFFAOYSA-N 1 0 347.415 2.360 20 5 EEBDRO O=C(CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451698049 243211677 /nfs/dbraw/zinc/21/16/77/243211677.db2.gz RPIMXIUXRUXHQJ-MCIONIFRSA-N 1 0 333.388 2.016 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000456161400 244166565 /nfs/dbraw/zinc/16/65/65/244166565.db2.gz CXGPAWGOYMPCOJ-UHFFFAOYSA-N 1 0 337.376 2.174 20 5 EEBDRO CCOC(=O)c1ccnc(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000077928744 217000426 /nfs/dbraw/zinc/00/04/26/217000426.db2.gz NKPLDNWPGNOBGU-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895849 217261944 /nfs/dbraw/zinc/26/19/44/217261944.db2.gz WRHFMQPRJIVAFG-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000266131427 248118225 /nfs/dbraw/zinc/11/82/25/248118225.db2.gz MQLUTZBEBFIDFA-OAHLLOKOSA-N 1 0 330.388 2.102 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434376 218225752 /nfs/dbraw/zinc/22/57/52/218225752.db2.gz BDKUVJGDEOOUPR-BDAKNGLRSA-N 1 0 329.198 2.316 20 5 EEBDRO C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000008269356 210923588 /nfs/dbraw/zinc/92/35/88/210923588.db2.gz RJTYMWMFKQKOKE-STQMWFEESA-N 1 0 341.433 2.041 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)C1CC1 ZINC000360870719 285161860 /nfs/dbraw/zinc/16/18/60/285161860.db2.gz IGCBJFDYWFTEAV-BBWFWOEESA-N 1 0 334.416 2.151 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCN1CCOCC1)C1CC1 ZINC000151168527 285162014 /nfs/dbraw/zinc/16/20/14/285162014.db2.gz RMMCKBKIHVYPHP-KRWDZBQOSA-N 1 0 333.432 2.228 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267261565 256042873 /nfs/dbraw/zinc/04/28/73/256042873.db2.gz WVFGZLJHRANNGB-GXTWGEPZSA-N 1 0 342.403 2.290 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000267229306 256040134 /nfs/dbraw/zinc/04/01/34/256040134.db2.gz KTDFNHQTUXJTBP-ZDUSSCGKSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268044057 256107723 /nfs/dbraw/zinc/10/77/23/256107723.db2.gz ZDHRVMTUOCAJHI-UKRRQHHQSA-N 1 0 334.420 2.119 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000271292621 256229732 /nfs/dbraw/zinc/22/97/32/256229732.db2.gz GCUZNOGYZZBMCW-JTQLQIEISA-N 1 0 349.416 2.013 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000275931216 256388418 /nfs/dbraw/zinc/38/84/18/256388418.db2.gz XHSSEEJAEGEIDG-AWEZNQCLSA-N 1 0 335.404 2.169 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000275931219 256388717 /nfs/dbraw/zinc/38/87/17/256388717.db2.gz XHSSEEJAEGEIDG-CQSZACIVSA-N 1 0 335.404 2.169 20 5 EEBDRO COc1ccc(C[C@H](C)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000185304670 286314985 /nfs/dbraw/zinc/31/49/85/286314985.db2.gz MDWJAOBBTIZNLF-LBPRGKRZSA-N 1 0 336.367 2.407 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000352220096 153009322 /nfs/dbraw/zinc/00/93/22/153009322.db2.gz HBGLUVWOFJLKLD-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000352261387 153027005 /nfs/dbraw/zinc/02/70/05/153027005.db2.gz QUHABHPYNAIMMQ-UHFFFAOYSA-N 1 0 343.339 2.224 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+]4CCC[C@H]4C3)cc2N1 ZINC000377318955 154139694 /nfs/dbraw/zinc/13/96/94/154139694.db2.gz BKYFBXARNWVVJM-ZDUSSCGKSA-N 1 0 330.388 2.154 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000130945128 292380939 /nfs/dbraw/zinc/38/09/39/292380939.db2.gz FIPWRUVIRRWROF-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO O=[N+]([O-])c1cccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000075777483 159076911 /nfs/dbraw/zinc/07/69/11/159076911.db2.gz MVXHKCALXJYLKC-LJQANCHMSA-N 1 0 341.411 2.104 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000076948449 159093067 /nfs/dbraw/zinc/09/30/67/159093067.db2.gz NUGQVZIXGRNELU-UHFFFAOYSA-N 1 0 346.362 2.308 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081361999 159151948 /nfs/dbraw/zinc/15/19/48/159151948.db2.gz RTTJPKFWZFFQDX-ZDUSSCGKSA-N 1 0 335.404 2.407 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119230885 159375116 /nfs/dbraw/zinc/37/51/16/159375116.db2.gz AEHURZGKQYYDJO-INIZCTEOSA-N 1 0 334.420 2.311 20 5 EEBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000186579690 160076981 /nfs/dbraw/zinc/07/69/81/160076981.db2.gz AVQVEWHQSJMEAD-UHFFFAOYSA-N 1 0 328.376 2.203 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193992221 160189779 /nfs/dbraw/zinc/18/97/79/160189779.db2.gz RONSQVDFKHSXEN-CYBMUJFWSA-N 1 0 334.376 2.421 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342699452 161084032 /nfs/dbraw/zinc/08/40/32/161084032.db2.gz IQTTVUJYVHOFNE-HUUCEWRRSA-N 1 0 338.404 2.083 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000342721738 161085861 /nfs/dbraw/zinc/08/58/61/161085861.db2.gz IBIPBUDTJANAPB-KCQAQPDRSA-N 1 0 334.420 2.303 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343833615 161172286 /nfs/dbraw/zinc/17/22/86/161172286.db2.gz RNPPHECEEWDVOS-GJZGRUSLSA-N 1 0 338.404 2.129 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000344902807 161254943 /nfs/dbraw/zinc/25/49/43/161254943.db2.gz TUNGRICOOXWUDP-AWEZNQCLSA-N 1 0 336.388 2.421 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345327104 161292356 /nfs/dbraw/zinc/29/23/56/161292356.db2.gz SUKJSKWEYCJFRY-CJNGLKHVSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347201539 161433533 /nfs/dbraw/zinc/43/35/33/161433533.db2.gz OMABGSIFXLPQJL-STQMWFEESA-N 1 0 336.436 2.420 20 5 EEBDRO C[NH+](C)CCO[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352355131 162101548 /nfs/dbraw/zinc/10/15/48/162101548.db2.gz GINXDAUJKKUZOP-AWEZNQCLSA-N 1 0 330.388 2.300 20 5 EEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368238753 166074748 /nfs/dbraw/zinc/07/47/48/166074748.db2.gz CHJFJOHUAKMSJZ-FPCVCCKLSA-N 1 0 336.436 2.443 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000369771334 166328863 /nfs/dbraw/zinc/32/88/63/166328863.db2.gz GTDJBPLBLDHERA-IRXDYDNUSA-N 1 0 340.383 2.126 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000369825995 166338009 /nfs/dbraw/zinc/33/80/09/166338009.db2.gz NWXQDMMRFQKROE-SJLPKXTDSA-N 1 0 344.415 2.107 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374352746 167023059 /nfs/dbraw/zinc/02/30/59/167023059.db2.gz QDUNGQCOBMGSOH-HNNXBMFYSA-N 1 0 347.415 2.306 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000375204751 167087008 /nfs/dbraw/zinc/08/70/08/167087008.db2.gz AFXUOOSPSGSOHF-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1=CC[N@H+](C)CC1 ZINC000272768935 269018118 /nfs/dbraw/zinc/01/81/18/269018118.db2.gz QKHCPFDNGGLPTF-LLVKDONJSA-N 1 0 328.372 2.456 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000274952673 269078459 /nfs/dbraw/zinc/07/84/59/269078459.db2.gz CHGPBACLHYIKBX-SNVBAGLBSA-N 1 0 346.391 2.485 20 5 EEBDRO Cc1c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000275098392 269094969 /nfs/dbraw/zinc/09/49/69/269094969.db2.gz KASANWMWPSEREB-GFCCVEGCSA-N 1 0 345.321 2.404 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000275160657 269099697 /nfs/dbraw/zinc/09/96/97/269099697.db2.gz OLGZCZVCTMWECR-LDYMZIIASA-N 1 0 342.193 2.085 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CC1)CCC2 ZINC000278338201 269224188 /nfs/dbraw/zinc/22/41/88/269224188.db2.gz CGQGRRBTHBWHLC-QGZVFWFLSA-N 1 0 331.416 2.427 20 5 EEBDRO O=c1c([N+](=O)[O-])cccn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278624600 269236883 /nfs/dbraw/zinc/23/68/83/269236883.db2.gz STJVLZNHABRCRO-INIZCTEOSA-N 1 0 343.383 2.048 20 5 EEBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278789908 269243416 /nfs/dbraw/zinc/24/34/16/269243416.db2.gz XZWSDFBWNBJGOG-YXJHDRRASA-N 1 0 344.415 2.339 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279135630 269264565 /nfs/dbraw/zinc/26/45/65/269264565.db2.gz FLRSNBNUVLELAV-NSHDSACASA-N 1 0 340.399 2.260 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000279929754 269317744 /nfs/dbraw/zinc/31/77/44/269317744.db2.gz YAILGIIPOUZYME-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO COc1cc(C[NH2+]CCCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000280560514 269372976 /nfs/dbraw/zinc/37/29/76/269372976.db2.gz UXDJNQKUGHMEOS-UHFFFAOYSA-N 1 0 348.346 2.500 20 5 EEBDRO COCCOCCOCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000274402083 274192815 /nfs/dbraw/zinc/19/28/15/274192815.db2.gz MUCAJLBWKAXGDR-QPJJXVBHSA-N 1 0 338.404 2.267 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000278341353 274348938 /nfs/dbraw/zinc/34/89/38/274348938.db2.gz XPZSOZHOYJALCX-STQMWFEESA-N 1 0 332.404 2.065 20 5 EEBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000278555402 274372058 /nfs/dbraw/zinc/37/20/58/274372058.db2.gz BXGXVPZFMVXZMJ-SJKOYZFVSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000287930414 275006965 /nfs/dbraw/zinc/00/69/65/275006965.db2.gz QMHHBPNVDOVQIE-IAQYHMDHSA-N 1 0 344.371 2.117 20 5 EEBDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000290057816 275174795 /nfs/dbraw/zinc/17/47/95/275174795.db2.gz XMHSCFAPOMAWFM-AWEZNQCLSA-N 1 0 343.387 2.375 20 5 EEBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000290810062 275242241 /nfs/dbraw/zinc/24/22/41/275242241.db2.gz RBNVIILFMKPKFP-LLVKDONJSA-N 1 0 345.193 2.191 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290887765 275249405 /nfs/dbraw/zinc/24/94/05/275249405.db2.gz CPRPCAZGGGWELU-GFCCVEGCSA-N 1 0 343.387 2.021 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000292065637 275370558 /nfs/dbraw/zinc/37/05/58/275370558.db2.gz KPNIDDPHMIAJPN-GFCCVEGCSA-N 1 0 331.376 2.028 20 5 EEBDRO CC(C)C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000292506787 275439435 /nfs/dbraw/zinc/43/94/35/275439435.db2.gz ZSGBPEHHHGSTIM-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000170916503 276158433 /nfs/dbraw/zinc/15/84/33/276158433.db2.gz MZPPCVCSMZRJAC-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO CCOc1cccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000184131765 276381179 /nfs/dbraw/zinc/38/11/79/276381179.db2.gz PPZTXGLSOJNQJI-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000180605478 276825235 /nfs/dbraw/zinc/82/52/35/276825235.db2.gz UEYWEHULNCTSCR-HNNXBMFYSA-N 1 0 346.362 2.349 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237110892 277277629 /nfs/dbraw/zinc/27/76/29/277277629.db2.gz FORKGUSMXHGEPS-JQWIXIFHSA-N 1 0 341.795 2.226 20 5 EEBDRO CNc1nc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000456007220 277304004 /nfs/dbraw/zinc/30/40/04/277304004.db2.gz NCTNZCPOXCNQHO-LBPRGKRZSA-N 1 0 335.408 2.026 20 5 EEBDRO CC(C)c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352714199 278036071 /nfs/dbraw/zinc/03/60/71/278036071.db2.gz AVWUVPJSYZYRQF-INIZCTEOSA-N 1 0 332.448 2.198 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000262708436 280050163 /nfs/dbraw/zinc/05/01/63/280050163.db2.gz CACGHDKVSPBCMD-RKDXNWHRSA-N 1 0 342.193 2.180 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000183894042 281018273 /nfs/dbraw/zinc/01/82/73/281018273.db2.gz QHLWFRIJSHFGQW-CQSZACIVSA-N 1 0 349.435 2.051 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@H]1CCO ZINC000249836818 292673956 /nfs/dbraw/zinc/67/39/56/292673956.db2.gz FMCOIMFTAJOBRN-WWGRRREGSA-N 1 0 335.404 2.453 20 5 EEBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000284023585 293017892 /nfs/dbraw/zinc/01/78/92/293017892.db2.gz IWIRKGVTVDAYJV-SUMWQHHRSA-N 1 0 336.436 2.184 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000287467278 293061581 /nfs/dbraw/zinc/06/15/81/293061581.db2.gz ROMDSAGHZPLFDT-SNVBAGLBSA-N 1 0 329.784 2.280 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923282 293848964 /nfs/dbraw/zinc/84/89/64/293848964.db2.gz FLXALAMWBYMGNX-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000296859388 294085949 /nfs/dbraw/zinc/08/59/49/294085949.db2.gz YTFVPIQNCWFKEO-ZIAGYGMSSA-N 1 0 346.431 2.338 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297174117 294171681 /nfs/dbraw/zinc/17/16/81/294171681.db2.gz POVVVKQXQJZQTA-AWEZNQCLSA-N 1 0 335.404 2.088 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297267655 294197138 /nfs/dbraw/zinc/19/71/38/294197138.db2.gz WMUGNXROLLHBCW-HNNXBMFYSA-N 1 0 349.431 2.478 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301138022 294827286 /nfs/dbraw/zinc/82/72/86/294827286.db2.gz ACFXXDPROOLMRB-OAHLLOKOSA-N 1 0 346.431 2.408 20 5 EEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424005619 297362349 /nfs/dbraw/zinc/36/23/49/297362349.db2.gz AMGJBZHGEPVQOB-BETUJISGSA-N 1 0 334.420 2.108 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000346646758 300295708 /nfs/dbraw/zinc/29/57/08/300295708.db2.gz DAJHEINLPTYLAD-KBPBESRZSA-N 1 0 329.404 2.428 20 5 EEBDRO CC(C)(C(=O)N1CCC([NH+]2CCCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000332177329 311962984 /nfs/dbraw/zinc/96/29/84/311962984.db2.gz XOPSPWVMFBVIMT-UHFFFAOYSA-N 1 0 349.435 2.003 20 5 EEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332579768 312028751 /nfs/dbraw/zinc/02/87/51/312028751.db2.gz FFTJEVLEYFAADI-NSHDSACASA-N 1 0 339.342 2.112 20 5 EEBDRO CCS(=O)(=O)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414349830 313001900 /nfs/dbraw/zinc/00/19/00/313001900.db2.gz ZLXRKGZLRCGSDF-OAHLLOKOSA-N 1 0 340.445 2.330 20 5 EEBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414480566 313032912 /nfs/dbraw/zinc/03/29/12/313032912.db2.gz BHFWTDKTKMDHAH-STQMWFEESA-N 1 0 332.356 2.436 20 5 EEBDRO COC(=O)[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414485343 313033542 /nfs/dbraw/zinc/03/35/42/313033542.db2.gz HXYGEDGFDMQFLE-MBSJSRAVSA-N 1 0 347.415 2.035 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)s1 ZINC000414552547 313039767 /nfs/dbraw/zinc/03/97/67/313039767.db2.gz DEGKWRRNWQSBAC-MLGOLLRUSA-N 1 0 348.424 2.498 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000417712114 313573916 /nfs/dbraw/zinc/57/39/16/313573916.db2.gz FJSWUAYFVJGEOC-AWEZNQCLSA-N 1 0 349.435 2.099 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417861071 313622591 /nfs/dbraw/zinc/62/25/91/313622591.db2.gz ZQSJNVUEBNQJKE-SUMWQHHRSA-N 1 0 332.404 2.359 20 5 EEBDRO O=C(CC[N@H+]1CCC[C@H](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000421021441 314027932 /nfs/dbraw/zinc/02/79/32/314027932.db2.gz SREMJXXNAJMFJT-AWEZNQCLSA-N 1 0 335.404 2.408 20 5 EEBDRO C[NH2+]CCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000435884597 314929739 /nfs/dbraw/zinc/92/97/39/314929739.db2.gz UVJQFWZDELMHJL-UHFFFAOYSA-N 1 0 346.353 2.345 20 5 EEBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441378018 315183602 /nfs/dbraw/zinc/18/36/02/315183602.db2.gz CPIQTKOCTAWGHF-AEFFLSMTSA-N 1 0 344.415 2.168 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000451880889 315463519 /nfs/dbraw/zinc/46/35/19/315463519.db2.gz ALWHDESDJZHDDU-UHFFFAOYSA-N 1 0 343.449 2.135 20 5 EEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2F)c1 ZINC000566111688 319246397 /nfs/dbraw/zinc/24/63/97/319246397.db2.gz LMIFQIASJRJJKH-OAHLLOKOSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000566404521 319282002 /nfs/dbraw/zinc/28/20/02/319282002.db2.gz ZYBLOUGIXGLQMF-KRWDZBQOSA-N 1 0 328.372 2.317 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000566431650 319285959 /nfs/dbraw/zinc/28/59/59/319285959.db2.gz NWYHXFZCQIBULE-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000566757585 319318030 /nfs/dbraw/zinc/31/80/30/319318030.db2.gz KLGSRRDGXLKBNG-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191410 320004270 /nfs/dbraw/zinc/00/42/70/320004270.db2.gz DKOVZLWZJPHZEJ-XHDPSFHLSA-N 1 0 349.387 2.160 20 5 EEBDRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1CC(F)(F)F ZINC000575328979 320101178 /nfs/dbraw/zinc/10/11/78/320101178.db2.gz BRCMUDAOPSGJHE-RYUDHWBXSA-N 1 0 343.305 2.335 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000576570905 320183928 /nfs/dbraw/zinc/18/39/28/320183928.db2.gz LQDUSEGTHMQZDK-ZDUSSCGKSA-N 1 0 349.435 2.435 20 5 EEBDRO CCSCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576576371 320184491 /nfs/dbraw/zinc/18/44/91/320184491.db2.gz ACWSSQJWENKSQZ-LBPRGKRZSA-N 1 0 346.474 2.490 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735204 324518128 /nfs/dbraw/zinc/51/81/28/324518128.db2.gz DMXYJKJWTCVFNF-YOEHRIQHSA-N 1 0 333.432 2.265 20 5 EEBDRO C[NH+](C)C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOCC1 ZINC000486963454 447826916 /nfs/dbraw/zinc/82/69/16/447826916.db2.gz GKYICMZLRSIKME-UHFFFAOYSA-N 1 0 347.375 2.168 20 5 EEBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923266 465006960 /nfs/dbraw/zinc/00/69/60/465006960.db2.gz FLXALAMWBYMGNX-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO CC1(C)CCC[NH2+][C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000326414271 465038696 /nfs/dbraw/zinc/03/86/96/465038696.db2.gz SYRRFNPRHZVRIK-AWEZNQCLSA-N 1 0 331.376 2.434 20 5 EEBDRO COc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591034 465041381 /nfs/dbraw/zinc/04/13/81/465041381.db2.gz BMLBQRIRDATVSB-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO COc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354591030 465041497 /nfs/dbraw/zinc/04/14/97/465041497.db2.gz BMLBQRIRDATVSB-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](O)CO)cc2[N+](=O)[O-])cc1 ZINC000347510807 465066166 /nfs/dbraw/zinc/06/61/66/465066166.db2.gz XAJWPPAGBDBIPO-AWEZNQCLSA-N 1 0 348.424 2.497 20 5 EEBDRO Nc1c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000339202106 465138787 /nfs/dbraw/zinc/13/87/87/465138787.db2.gz GVRFOVPQQPCIKC-UHFFFAOYSA-N 1 0 332.404 2.125 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000351494983 465183836 /nfs/dbraw/zinc/18/38/36/465183836.db2.gz PDFNMQVPCPLOOK-WBVHZDCISA-N 1 0 335.404 2.373 20 5 EEBDRO Cn1cc(CN2C[C@@H](F)C[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354863784 465200119 /nfs/dbraw/zinc/20/01/19/465200119.db2.gz YEBSAFBZZQHHLR-DOTOQJQBSA-N 1 0 347.394 2.031 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351618484 465254688 /nfs/dbraw/zinc/25/46/88/465254688.db2.gz HLRVQURBVIEFPD-OCCSQVGLSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1ccc(OCC[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351638849 465266788 /nfs/dbraw/zinc/26/67/88/465266788.db2.gz YOBFDGRKOJAGEN-UONOGXRCSA-N 1 0 338.404 2.465 20 5 EEBDRO COc1ccc([C@H](C[NH3+])Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1 ZINC000568084778 468271984 /nfs/dbraw/zinc/27/19/84/468271984.db2.gz UBPXIHWEIHDEHK-LLVKDONJSA-N 1 0 337.763 2.161 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566472 468274068 /nfs/dbraw/zinc/27/40/68/468274068.db2.gz JVUQWEFVFYNRQJ-ZBEGNZNMSA-N 1 0 330.388 2.170 20 5 EEBDRO O=[N+]([O-])c1cc(N2CCC([NH2+]CCO)CC2)ccc1C(F)(F)F ZINC000590583343 468277857 /nfs/dbraw/zinc/27/78/57/468277857.db2.gz VKGZNFFUVXTZBD-UHFFFAOYSA-N 1 0 333.310 2.164 20 5 EEBDRO C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000590638250 468293646 /nfs/dbraw/zinc/29/36/46/468293646.db2.gz QINJOGVSYOHKPA-ZDUSSCGKSA-N 1 0 347.415 2.404 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590671051 468299962 /nfs/dbraw/zinc/29/99/62/468299962.db2.gz YXSXTGZXCYJGTM-UHFFFAOYSA-N 1 0 335.404 2.358 20 5 EEBDRO COCCCNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060494192 462553710 /nfs/dbraw/zinc/55/37/10/462553710.db2.gz GKQUHHDSQYWYER-UHFFFAOYSA-N 1 0 349.431 2.002 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112924993 462554044 /nfs/dbraw/zinc/55/40/44/462554044.db2.gz YKNDBRYUGDOOMW-UHFFFAOYSA-N 1 0 338.383 2.120 20 5 EEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000045313109 462576634 /nfs/dbraw/zinc/57/66/34/462576634.db2.gz FGIPPWCXCSDPKD-UHFFFAOYSA-N 1 0 342.399 2.490 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074316436 462583708 /nfs/dbraw/zinc/58/37/08/462583708.db2.gz CJDMRRMUQDHCSK-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127927852 462595426 /nfs/dbraw/zinc/59/54/26/462595426.db2.gz JVHYDZQTTGISFL-UHFFFAOYSA-N 1 0 338.408 2.301 20 5 EEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128574839 462654238 /nfs/dbraw/zinc/65/42/38/462654238.db2.gz GOCZKYUJFOPEOC-IAQYHMDHSA-N 1 0 339.367 2.298 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000128669390 462662626 /nfs/dbraw/zinc/66/26/26/462662626.db2.gz HNGRJJJGIFFJJQ-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO C[N@H+](CCOCC1CC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128882872 462678275 /nfs/dbraw/zinc/67/82/75/462678275.db2.gz BAUDHKGKBJPWOD-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO Cc1cnc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643968 462702730 /nfs/dbraw/zinc/70/27/30/462702730.db2.gz MRLXZWXGTSTNHQ-HZPDHXFCSA-N 1 0 342.399 2.346 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116276912 462751469 /nfs/dbraw/zinc/75/14/69/462751469.db2.gz ZQSKBFSKTCUHSY-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000090181415 462784445 /nfs/dbraw/zinc/78/44/45/462784445.db2.gz STECJYLISPFFTR-WCQYABFASA-N 1 0 333.388 2.407 20 5 EEBDRO COc1ccccc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554075 462797762 /nfs/dbraw/zinc/79/77/62/462797762.db2.gz KSMULXDIJFGUDB-UHFFFAOYSA-N 1 0 331.372 2.290 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000090553268 462797932 /nfs/dbraw/zinc/79/79/32/462797932.db2.gz IFDDGXRMRURLCH-INIZCTEOSA-N 1 0 329.356 2.299 20 5 EEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214321 462798975 /nfs/dbraw/zinc/79/89/75/462798975.db2.gz GBDUSUFFBYCNEE-PBHICJAKSA-N 1 0 344.415 2.316 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000009961807 462809212 /nfs/dbraw/zinc/80/92/12/462809212.db2.gz SLFUGEBPQOXKEW-UHFFFAOYSA-N 1 0 335.429 2.430 20 5 EEBDRO C[N@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])c(N)n2)c1)C1CC1 ZINC000091632241 462893978 /nfs/dbraw/zinc/89/39/78/462893978.db2.gz QOIHJSATFMFNFT-UHFFFAOYSA-N 1 0 328.376 2.347 20 5 EEBDRO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1[N+](=O)[O-] ZINC000092198363 462933832 /nfs/dbraw/zinc/93/38/32/462933832.db2.gz QECPDAOTZUCIDV-CQSZACIVSA-N 1 0 338.327 2.450 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000120374269 462991675 /nfs/dbraw/zinc/99/16/75/462991675.db2.gz ONYNQEUASHZIDX-OAHLLOKOSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000093332891 463028457 /nfs/dbraw/zinc/02/84/57/463028457.db2.gz IPWGEADHUAIMHS-DOMZBBRYSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000156701412 463059328 /nfs/dbraw/zinc/05/93/28/463059328.db2.gz SJOANZPQYYHTCV-BDJLRTHQSA-N 1 0 332.404 2.369 20 5 EEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000052748780 463104232 /nfs/dbraw/zinc/10/42/32/463104232.db2.gz OWXDPFOPPBVLRA-UHFFFAOYSA-N 1 0 343.387 2.416 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068443137 463137870 /nfs/dbraw/zinc/13/78/70/463137870.db2.gz PFAMVYLOVJCKHE-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471945 468340634 /nfs/dbraw/zinc/34/06/34/468340634.db2.gz DZMBJRDMGLWUKG-INIZCTEOSA-N 1 0 348.447 2.181 20 5 EEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000054287019 463224069 /nfs/dbraw/zinc/22/40/69/463224069.db2.gz GWSVBUFTTAZTBF-GFCCVEGCSA-N 1 0 334.420 2.417 20 5 EEBDRO CN(CC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000079589275 463231794 /nfs/dbraw/zinc/23/17/94/463231794.db2.gz PRBNHFYGZIOTDA-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Nc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000079814463 463252385 /nfs/dbraw/zinc/25/23/85/463252385.db2.gz TXBMANQULDWHNG-ZDUSSCGKSA-N 1 0 328.376 2.216 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000138549959 463309804 /nfs/dbraw/zinc/30/98/04/463309804.db2.gz OPBHJXGLVJEBEL-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000124708407 463455401 /nfs/dbraw/zinc/45/54/01/463455401.db2.gz RETIGXRPWOWVEK-KRWDZBQOSA-N 1 0 343.383 2.394 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000124798760 463465736 /nfs/dbraw/zinc/46/57/36/463465736.db2.gz WOJVIZTVEDMJPW-CYBMUJFWSA-N 1 0 337.395 2.371 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139667 463483387 /nfs/dbraw/zinc/48/33/87/463483387.db2.gz MHSRILMXVOGGOZ-BQDHKBFISA-N 1 0 333.388 2.469 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000109263813 463637316 /nfs/dbraw/zinc/63/73/16/463637316.db2.gz JENNJACTKUTWDT-UHFFFAOYSA-N 1 0 337.424 2.266 20 5 EEBDRO Cc1c(Br)c(NC[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165813122 463647595 /nfs/dbraw/zinc/64/75/95/463647595.db2.gz QKPIBNYUHDUYEG-SECBINFHSA-N 1 0 329.198 2.472 20 5 EEBDRO COCCOCCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126918328 463670868 /nfs/dbraw/zinc/67/08/68/463670868.db2.gz CFOMAKYLCNQMQM-UHFFFAOYSA-N 1 0 332.360 2.435 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000127055634 463679375 /nfs/dbraw/zinc/67/93/75/463679375.db2.gz HNKTTZFHZYICNY-HNNXBMFYSA-N 1 0 342.399 2.315 20 5 EEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000170621024 463685543 /nfs/dbraw/zinc/68/55/43/463685543.db2.gz DWGVOGLUVBTXTI-GFCCVEGCSA-N 1 0 347.396 2.236 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000193449275 463715062 /nfs/dbraw/zinc/71/50/62/463715062.db2.gz YTRBXZRWLVEDJF-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO CCOc1cc(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276851595 463780918 /nfs/dbraw/zinc/78/09/18/463780918.db2.gz DSYIZWFOBQBWGE-GDBMZVCRSA-N 1 0 339.461 2.471 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177771760 463787701 /nfs/dbraw/zinc/78/77/01/463787701.db2.gz ONVNIFGDXHMTNJ-OLZOCXBDSA-N 1 0 348.359 2.202 20 5 EEBDRO COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000261748453 463848109 /nfs/dbraw/zinc/84/81/09/463848109.db2.gz UNONWQZEVQZUNB-VIFPVBQESA-N 1 0 348.384 2.128 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000261852906 463877885 /nfs/dbraw/zinc/87/78/85/463877885.db2.gz QQNCGSRTEXWGFQ-UHFFFAOYSA-N 1 0 337.807 2.393 20 5 EEBDRO Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000261964825 463911848 /nfs/dbraw/zinc/91/18/48/463911848.db2.gz YGUFQEPTEWEYOJ-VIFPVBQESA-N 1 0 332.385 2.428 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000261970214 463913762 /nfs/dbraw/zinc/91/37/62/463913762.db2.gz YXGWWDJLOGPQHC-QMMMGPOBSA-N 1 0 336.348 2.259 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000287546447 463923028 /nfs/dbraw/zinc/92/30/28/463923028.db2.gz WDCZIBOIOQNKHE-OAHLLOKOSA-N 1 0 347.415 2.438 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000262055025 463935138 /nfs/dbraw/zinc/93/51/38/463935138.db2.gz RFIIYXKKUFKUJZ-QGZVFWFLSA-N 1 0 332.404 2.006 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000269300307 463945805 /nfs/dbraw/zinc/94/58/05/463945805.db2.gz XJTZOPJQLMDEMA-INIZCTEOSA-N 1 0 337.423 2.254 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000178980196 464029986 /nfs/dbraw/zinc/02/99/86/464029986.db2.gz KMJOWMNNFYTGPO-XHDPSFHLSA-N 1 0 341.433 2.089 20 5 EEBDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000283922547 464042610 /nfs/dbraw/zinc/04/26/10/464042610.db2.gz CGQBVRPOYGYRSL-WFASDCNBSA-N 1 0 326.418 2.460 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000269783489 464092382 /nfs/dbraw/zinc/09/23/82/464092382.db2.gz HDAQIDQQBYGMTD-ZIAGYGMSSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1c(Br)cc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000269982129 464147677 /nfs/dbraw/zinc/14/76/77/464147677.db2.gz PRCNZBLVKVBLAT-QMMMGPOBSA-N 1 0 344.209 2.346 20 5 EEBDRO COc1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263715133 464164395 /nfs/dbraw/zinc/16/43/95/464164395.db2.gz VQMMADXNKJCFMO-XQQFMLRXSA-N 1 0 335.404 2.481 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179736946 464179821 /nfs/dbraw/zinc/17/98/21/464179821.db2.gz INUHWMPXBLLVHV-KRWDZBQOSA-N 1 0 344.371 2.303 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000284424868 464187113 /nfs/dbraw/zinc/18/71/13/464187113.db2.gz OXTRISZEABWKPL-RYUDHWBXSA-N 1 0 333.388 2.349 20 5 EEBDRO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000263897437 464232043 /nfs/dbraw/zinc/23/20/43/464232043.db2.gz ATWVGBRGXZCWDC-UHFFFAOYSA-N 1 0 331.376 2.089 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000281013722 464300032 /nfs/dbraw/zinc/30/00/32/464300032.db2.gz RCFYYUXFQXWOLA-UHFFFAOYSA-N 1 0 336.392 2.498 20 5 EEBDRO CC(C)CCOCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271634889 464348044 /nfs/dbraw/zinc/34/80/44/464348044.db2.gz GDEKBFMUAFXMFU-CQSZACIVSA-N 1 0 337.420 2.424 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281236186 464380934 /nfs/dbraw/zinc/38/09/34/464380934.db2.gz SPZCZBAQRRHNOK-NSHDSACASA-N 1 0 331.376 2.022 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000293029418 464382679 /nfs/dbraw/zinc/38/26/79/464382679.db2.gz GCYYRTHXTWBCFJ-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](CO)CC3)o2)cc1 ZINC000293277259 464397897 /nfs/dbraw/zinc/39/78/97/464397897.db2.gz VFPNPCZCCFWYQS-GFCCVEGCSA-N 1 0 332.360 2.239 20 5 EEBDRO O=C(CCC1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237948110 464408966 /nfs/dbraw/zinc/40/89/66/464408966.db2.gz WORPMJGWQZVUAD-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189083657 464429728 /nfs/dbraw/zinc/42/97/28/464429728.db2.gz JVMMWDPPRFBPQK-CQSZACIVSA-N 1 0 332.404 2.019 20 5 EEBDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285386329 464545604 /nfs/dbraw/zinc/54/56/04/464545604.db2.gz WNTJDKDIKICKHK-WBHUJUFNSA-N 1 0 345.399 2.312 20 5 EEBDRO Cc1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281827647 464600511 /nfs/dbraw/zinc/60/05/11/464600511.db2.gz NHWFXGALYWEWAT-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265608725 464616213 /nfs/dbraw/zinc/61/62/13/464616213.db2.gz WOIAVIUWNXBMKK-UHFFFAOYSA-N 1 0 325.796 2.345 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499949 464633970 /nfs/dbraw/zinc/63/39/70/464633970.db2.gz GREISIWGNBMNAH-DLBZAZTESA-N 1 0 343.431 2.492 20 5 EEBDRO O=C1CC[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000294880794 464635916 /nfs/dbraw/zinc/63/59/16/464635916.db2.gz FNSPLRFUBKHSPH-CQSZACIVSA-N 1 0 347.415 2.354 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCOCCO ZINC000272552134 464658365 /nfs/dbraw/zinc/65/83/65/464658365.db2.gz MHWGVBMIFXXWSG-CYBMUJFWSA-N 1 0 328.434 2.454 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295029988 464683566 /nfs/dbraw/zinc/68/35/66/464683566.db2.gz VNMFHEDWXUDYTH-CQSZACIVSA-N 1 0 330.388 2.402 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000176072118 464693349 /nfs/dbraw/zinc/69/33/49/464693349.db2.gz NRGWDLYMABGNJK-OAHLLOKOSA-N 1 0 346.362 2.349 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccccn1 ZINC000295141666 464720179 /nfs/dbraw/zinc/72/01/79/464720179.db2.gz LBSRYRISPZSYOQ-UHFFFAOYSA-N 1 0 330.344 2.069 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000295159825 464726657 /nfs/dbraw/zinc/72/66/57/464726657.db2.gz QLLRXWPJWDZESS-TZMCWYRMSA-N 1 0 345.399 2.299 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)Cc2ccccc2C1 ZINC000265935015 464739837 /nfs/dbraw/zinc/73/98/37/464739837.db2.gz QZAUTVXFPQVCLI-UHFFFAOYSA-N 1 0 329.356 2.017 20 5 EEBDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000282229272 464745270 /nfs/dbraw/zinc/74/52/70/464745270.db2.gz ZFJMYGGIXZROKX-GFCCVEGCSA-N 1 0 349.387 2.339 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000182905469 464755616 /nfs/dbraw/zinc/75/56/16/464755616.db2.gz DONSSQCSXXKAGK-MRXNPFEDSA-N 1 0 329.356 2.165 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000275588605 464780767 /nfs/dbraw/zinc/78/07/67/464780767.db2.gz IUTBPLQZMSLLAR-BRWVUGGUSA-N 1 0 330.388 2.078 20 5 EEBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266759880 464812587 /nfs/dbraw/zinc/81/25/87/464812587.db2.gz SUODIWZHZOOYSS-LSDHHAIUSA-N 1 0 340.420 2.390 20 5 EEBDRO C[C@@H]1CSCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248957105 464824091 /nfs/dbraw/zinc/82/40/91/464824091.db2.gz BQKCCGXXAMDJOS-WFASDCNBSA-N 1 0 335.429 2.385 20 5 EEBDRO C[C@@H](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183290502 464843718 /nfs/dbraw/zinc/84/37/18/464843718.db2.gz BUUIJLGIHUXYKW-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000286460127 464926104 /nfs/dbraw/zinc/92/61/04/464926104.db2.gz SRDPFEXFWMTMNJ-GOOCMWNKSA-N 1 0 346.431 2.399 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286484235 464934316 /nfs/dbraw/zinc/93/43/16/464934316.db2.gz RAOTUTDLVMQFPS-GXTWGEPZSA-N 1 0 332.404 2.017 20 5 EEBDRO Cn1cc(C[NH2+]CC2(CO)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184378272 464971614 /nfs/dbraw/zinc/97/16/14/464971614.db2.gz UAMWFGWLRVVIIN-UHFFFAOYSA-N 1 0 330.388 2.248 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593911207 468430511 /nfs/dbraw/zinc/43/05/11/468430511.db2.gz FYMNGFGEVSEPIZ-IJLUTSLNSA-N 1 0 339.417 2.015 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411469 465352451 /nfs/dbraw/zinc/35/24/51/465352451.db2.gz NQUTWKYPFQIFJJ-DGCLKSJQSA-N 1 0 343.330 2.334 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593917381 468432634 /nfs/dbraw/zinc/43/26/34/468432634.db2.gz VDHXAHNKKIDXOB-ZIAGYGMSSA-N 1 0 335.404 2.340 20 5 EEBDRO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000298660470 465464187 /nfs/dbraw/zinc/46/41/87/465464187.db2.gz CCQHDOBWNJFHLY-MRVPVSSYSA-N 1 0 332.307 2.268 20 5 EEBDRO CC(C)[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1C ZINC000343217214 465491074 /nfs/dbraw/zinc/49/10/74/465491074.db2.gz QTZBPDSUFWNZQF-CQSZACIVSA-N 1 0 331.376 2.020 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279333 468437194 /nfs/dbraw/zinc/43/71/94/468437194.db2.gz DFHJBXXAYWMJJP-VIFPVBQESA-N 1 0 344.318 2.460 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000356859035 465580924 /nfs/dbraw/zinc/58/09/24/465580924.db2.gz MTEUGMOPMZAYPR-CYBMUJFWSA-N 1 0 330.388 2.300 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2)c1 ZINC000348399909 465583939 /nfs/dbraw/zinc/58/39/39/465583939.db2.gz RUZOQXOQNPJCGI-AWEZNQCLSA-N 1 0 340.387 2.387 20 5 EEBDRO Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000353067624 465611857 /nfs/dbraw/zinc/61/18/57/465611857.db2.gz YMQUGSXHIDRPOC-UHFFFAOYSA-N 1 0 326.418 2.350 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H](CO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353075735 465617421 /nfs/dbraw/zinc/61/74/21/465617421.db2.gz ZBJYNPVPPZABPH-HNNXBMFYSA-N 1 0 330.388 2.103 20 5 EEBDRO CC[N@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000360934889 465642689 /nfs/dbraw/zinc/64/26/89/465642689.db2.gz RPURZSQAUWHFFC-UHFFFAOYSA-N 1 0 335.451 2.202 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CCOC(C)C)CC1 ZINC000361002614 465693985 /nfs/dbraw/zinc/69/39/85/465693985.db2.gz NWTLNDDIZOKVIC-UHFFFAOYSA-N 1 0 339.440 2.421 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344616992 465726081 /nfs/dbraw/zinc/72/60/81/465726081.db2.gz OFPYUDRABSTBJH-LLVKDONJSA-N 1 0 337.424 2.292 20 5 EEBDRO COc1c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000357153682 465816135 /nfs/dbraw/zinc/81/61/35/465816135.db2.gz VHBFPHMRGJKUTH-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO O=C(CSCC1CC[NH2+]CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000580070581 468461769 /nfs/dbraw/zinc/46/17/69/468461769.db2.gz NWHSFHSDLVPKGB-UHFFFAOYSA-N 1 0 335.429 2.217 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346230210 466011085 /nfs/dbraw/zinc/01/10/85/466011085.db2.gz MEUSEROJOBDWHB-DCGLDWPTSA-N 1 0 349.406 2.465 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000331365976 466050478 /nfs/dbraw/zinc/05/04/78/466050478.db2.gz CUHIDVMRRLFSCM-KURKYZTESA-N 1 0 334.416 2.389 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301883928 466052489 /nfs/dbraw/zinc/05/24/89/466052489.db2.gz NPEXWSKWOZPSMU-LBPRGKRZSA-N 1 0 340.399 2.180 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000302531428 466151616 /nfs/dbraw/zinc/15/16/16/466151616.db2.gz LKULBSVJVSLEEY-CQSZACIVSA-N 1 0 342.399 2.160 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349643461 466171863 /nfs/dbraw/zinc/17/18/63/466171863.db2.gz XRVUGCGEUAMNHR-INIZCTEOSA-N 1 0 349.435 2.180 20 5 EEBDRO CC(C)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000346912445 466244933 /nfs/dbraw/zinc/24/49/33/466244933.db2.gz NMOVVXIAVNVUNT-UHFFFAOYSA-N 1 0 331.376 2.423 20 5 EEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000361769347 466272159 /nfs/dbraw/zinc/27/21/59/466272159.db2.gz TXOWSLCCZQONBH-ZFWWWQNUSA-N 1 0 349.387 2.440 20 5 EEBDRO CC[N@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000338716796 466330827 /nfs/dbraw/zinc/33/08/27/466330827.db2.gz DTAUTQPOWJJAPH-UHFFFAOYSA-N 1 0 329.422 2.141 20 5 EEBDRO COc1c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332097558 466386152 /nfs/dbraw/zinc/38/61/52/466386152.db2.gz XSUSTGKLRWHZQK-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)(C)O)cccc1[N+](=O)[O-] ZINC000305439853 466408551 /nfs/dbraw/zinc/40/85/51/466408551.db2.gz LQMZRLJVEYDBFH-OAHLLOKOSA-N 1 0 335.404 2.467 20 5 EEBDRO CCOC(=O)CC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000597235409 468490749 /nfs/dbraw/zinc/49/07/49/468490749.db2.gz FYQBWJFLNYEYPX-UHFFFAOYSA-N 1 0 336.388 2.495 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305794092 466466924 /nfs/dbraw/zinc/46/69/24/466466924.db2.gz DZAFSCDWNRLRPG-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)nc1 ZINC000305851057 466481160 /nfs/dbraw/zinc/48/11/60/466481160.db2.gz UWVKFMNIDLBGGN-HNNXBMFYSA-N 1 0 328.372 2.169 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000358195160 466532090 /nfs/dbraw/zinc/53/20/90/466532090.db2.gz CHDIPWIZEIXGAD-XJKSGUPXSA-N 1 0 347.415 2.334 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000350829984 466617968 /nfs/dbraw/zinc/61/79/68/466617968.db2.gz KPFUNOLBVMLRSO-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000324825639 466649674 /nfs/dbraw/zinc/64/96/74/466649674.db2.gz AUWYXQJWSACFHE-ZDUSSCGKSA-N 1 0 335.404 2.191 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217499 466698609 /nfs/dbraw/zinc/69/86/09/466698609.db2.gz UIHDJZQKXNPBBG-BBRMVZONSA-N 1 0 329.404 2.007 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000410855245 466751696 /nfs/dbraw/zinc/75/16/96/466751696.db2.gz VYXDUOFIOPAEOQ-PHIMTYICSA-N 1 0 331.376 2.026 20 5 EEBDRO CO[C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000423523909 466765904 /nfs/dbraw/zinc/76/59/04/466765904.db2.gz WJMNXCZBBHOKHC-ZIAGYGMSSA-N 1 0 335.404 2.297 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411475067 466831838 /nfs/dbraw/zinc/83/18/38/466831838.db2.gz RXWSKFIJCWRFNK-MXASKKJJSA-N 1 0 329.400 2.441 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000417348353 466839561 /nfs/dbraw/zinc/83/95/61/466839561.db2.gz YCKJUAHKGAVYOJ-OAHLLOKOSA-N 1 0 343.387 2.105 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417723816 466917664 /nfs/dbraw/zinc/91/76/64/466917664.db2.gz XXVNISQRGWGPJK-ZIAGYGMSSA-N 1 0 349.435 2.084 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417731639 466919261 /nfs/dbraw/zinc/91/92/61/466919261.db2.gz RUCMKVQJYSYHAG-ZFWWWQNUSA-N 1 0 334.420 2.357 20 5 EEBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961524 466947957 /nfs/dbraw/zinc/94/79/57/466947957.db2.gz ANTOBBRAIBBYKS-KPZWWZAWSA-N 1 0 347.415 2.277 20 5 EEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411965971 466950657 /nfs/dbraw/zinc/95/06/57/466950657.db2.gz KTKQEMCJGAQZHI-LJQANCHMSA-N 1 0 339.395 2.266 20 5 EEBDRO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709875 466975458 /nfs/dbraw/zinc/97/54/58/466975458.db2.gz RVTGAQBOCIGCGN-AEFFLSMTSA-N 1 0 346.475 2.361 20 5 EEBDRO CC(C)Oc1cc(C(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000412233059 467045287 /nfs/dbraw/zinc/04/52/87/467045287.db2.gz NUQKBLKUWQLTPH-UHFFFAOYSA-N 1 0 333.388 2.374 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000370990748 467065237 /nfs/dbraw/zinc/06/52/37/467065237.db2.gz FXTVKGXMINPZOO-IRXDYDNUSA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)ccc1C[NH+](C)C ZINC000412420621 467081788 /nfs/dbraw/zinc/08/17/88/467081788.db2.gz RRVXNYHNSQDGMF-UHFFFAOYSA-N 1 0 330.344 2.318 20 5 EEBDRO CCOc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000427386610 467154743 /nfs/dbraw/zinc/15/47/43/467154743.db2.gz IWLJGVWTTGCYLN-OAHLLOKOSA-N 1 0 337.420 2.498 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CCCO)c(C(F)(F)F)c1 ZINC000413323899 467216558 /nfs/dbraw/zinc/21/65/58/467216558.db2.gz ISYVZLSZYUUDOM-SNVBAGLBSA-N 1 0 348.325 2.267 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000378170221 467217945 /nfs/dbraw/zinc/21/79/45/467217945.db2.gz LQVSHKQWNNCFOL-HOCLYGCPSA-N 1 0 339.823 2.279 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000432994629 467282508 /nfs/dbraw/zinc/28/25/08/467282508.db2.gz ALMLKRZMAFJGKW-CRWXNKLISA-N 1 0 336.392 2.206 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433064103 467288067 /nfs/dbraw/zinc/28/80/67/467288067.db2.gz VUPYVDZRGCSUPW-RDJZCZTQSA-N 1 0 330.388 2.032 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000429076919 467299031 /nfs/dbraw/zinc/29/90/31/467299031.db2.gz FTGXOVAWRIEFPE-DZGCQCFKSA-N 1 0 346.431 2.313 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429127789 467302320 /nfs/dbraw/zinc/30/23/20/467302320.db2.gz LMDSUPUIDRTGSN-JBLDHEPKSA-N 1 0 341.795 2.211 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433282519 467314919 /nfs/dbraw/zinc/31/49/19/467314919.db2.gz BHGXBXIBKMKCLJ-MRXNPFEDSA-N 1 0 330.388 2.285 20 5 EEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(F)c1 ZINC000413898557 467338349 /nfs/dbraw/zinc/33/83/49/467338349.db2.gz HALNQZKSMJETGM-UHFFFAOYSA-N 1 0 336.323 2.255 20 5 EEBDRO C[N@H+](CCCNC(=O)C1CCC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000429543259 467343952 /nfs/dbraw/zinc/34/39/52/467343952.db2.gz VAWDEUHQFSGLHM-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO C[N@H+](CCCCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434680239 467418264 /nfs/dbraw/zinc/41/82/64/467418264.db2.gz UBJCBUQBPIYHHC-UHFFFAOYSA-N 1 0 329.784 2.281 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430565825 467441674 /nfs/dbraw/zinc/44/16/74/467441674.db2.gz GPCUQHPCXVWJKA-MNOVXSKESA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652567 467455203 /nfs/dbraw/zinc/45/52/03/467455203.db2.gz NKUZTQYNPHHCPA-OCCSQVGLSA-N 1 0 348.403 2.095 20 5 EEBDRO CN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000415067966 467480936 /nfs/dbraw/zinc/48/09/36/467480936.db2.gz LVKMDKGXUDWMTN-MRXNPFEDSA-N 1 0 344.415 2.114 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000448978457 467609865 /nfs/dbraw/zinc/60/98/65/467609865.db2.gz CJDGPHCJDXBLIZ-UHFFFAOYSA-N 1 0 327.356 2.203 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449189555 467622693 /nfs/dbraw/zinc/62/26/93/467622693.db2.gz PDIPYUNTOMVAAR-AWEZNQCLSA-N 1 0 349.431 2.143 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449605583 467669560 /nfs/dbraw/zinc/66/95/60/467669560.db2.gz NRCQTXBRGANLEN-MRVPVSSYSA-N 1 0 335.282 2.003 20 5 EEBDRO CNc1nc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000455373279 467672032 /nfs/dbraw/zinc/67/20/32/467672032.db2.gz AYGKRVLCAHPPGR-ZDUSSCGKSA-N 1 0 347.419 2.122 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449725934 467701048 /nfs/dbraw/zinc/70/10/48/467701048.db2.gz OYZSAMJNFVICQG-BDAKNGLRSA-N 1 0 342.193 2.215 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450027679 467764574 /nfs/dbraw/zinc/76/45/74/467764574.db2.gz PJHZWYCVRCKMOB-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CCn1ccnc1C=CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000492831832 467766682 /nfs/dbraw/zinc/76/66/82/467766682.db2.gz MCPHKYSYPOZEHW-AATRIKPKSA-N 1 0 326.316 2.339 20 5 EEBDRO Cc1cc(OCC(=O)NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458214315 467790280 /nfs/dbraw/zinc/79/02/80/467790280.db2.gz MLGCKJIHGRASLN-CQSZACIVSA-N 1 0 335.404 2.130 20 5 EEBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])c(C)n2)c1 ZINC000450478497 467856572 /nfs/dbraw/zinc/85/65/72/467856572.db2.gz GVKFCQNRTXTFOF-UHFFFAOYSA-N 1 0 345.403 2.270 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c2ccncc21 ZINC000450597595 467877372 /nfs/dbraw/zinc/87/73/72/467877372.db2.gz PGJNRKMROIBWQE-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000450779365 467906500 /nfs/dbraw/zinc/90/65/00/467906500.db2.gz NGFYFIWUVPFNPX-MEDUHNTESA-N 1 0 328.372 2.292 20 5 EEBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1CCO ZINC000450786493 467907468 /nfs/dbraw/zinc/90/74/68/467907468.db2.gz AAUNDEWGOVDTJY-BETUJISGSA-N 1 0 330.388 2.034 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494386128 468051822 /nfs/dbraw/zinc/05/18/22/468051822.db2.gz MLRBYENBTRRJQY-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519598680 468179980 /nfs/dbraw/zinc/17/99/80/468179980.db2.gz RTWKHNWDFZFDNA-YJBOKZPZSA-N 1 0 346.383 2.312 20 5 EEBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])ccc21 ZINC000577745992 468191356 /nfs/dbraw/zinc/19/13/56/468191356.db2.gz YKLVIESKHRGLBC-CQSZACIVSA-N 1 0 341.371 2.373 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000590344984 468238076 /nfs/dbraw/zinc/23/80/76/468238076.db2.gz CDTYTGKFFWSHKO-AWEZNQCLSA-N 1 0 335.404 2.468 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590404359 468247243 /nfs/dbraw/zinc/24/72/43/468247243.db2.gz ZRHDDRKVFRIYFJ-BMIGLBTASA-N 1 0 344.371 2.013 20 5 EEBDRO C[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000569841035 468552444 /nfs/dbraw/zinc/55/24/44/468552444.db2.gz MZUBUCZFYXHNFG-ZIAGYGMSSA-N 1 0 335.404 2.116 20 5 EEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597439988 468556207 /nfs/dbraw/zinc/55/62/07/468556207.db2.gz KHEGSQXXAAQWQO-INIZCTEOSA-N 1 0 344.415 2.411 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594420425 468579151 /nfs/dbraw/zinc/57/91/51/468579151.db2.gz TUYFNDSAPFPLDG-GJZGRUSLSA-N 1 0 332.404 2.140 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000594433694 468584608 /nfs/dbraw/zinc/58/46/08/468584608.db2.gz QTYGLLBDZSRGOL-RDTXWAMCSA-N 1 0 346.431 2.211 20 5 EEBDRO CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591994198 468593000 /nfs/dbraw/zinc/59/30/00/468593000.db2.gz FATGIRZBYHISNS-MRXNPFEDSA-N 1 0 334.420 2.263 20 5 EEBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594450236 468593278 /nfs/dbraw/zinc/59/32/78/468593278.db2.gz VOXQFDVVAWOUJU-AEFFLSMTSA-N 1 0 329.400 2.476 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594494429 468607837 /nfs/dbraw/zinc/60/78/37/468607837.db2.gz FYOBDIADNSGZON-QGZVFWFLSA-N 1 0 349.431 2.336 20 5 EEBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594520668 468615024 /nfs/dbraw/zinc/61/50/24/468615024.db2.gz KHPJJHCDMCEUHC-WFASDCNBSA-N 1 0 327.388 2.248 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000600947546 468693553 /nfs/dbraw/zinc/69/35/53/468693553.db2.gz MJNNSQSEIDDRAP-LLVKDONJSA-N 1 0 329.198 2.187 20 5 EEBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592375629 468684921 /nfs/dbraw/zinc/68/49/21/468684921.db2.gz XDDFXNCYXSQSPK-YPMHNXCESA-N 1 0 326.393 2.499 20 5 EEBDRO Cn1cc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592432450 468696804 /nfs/dbraw/zinc/69/68/04/468696804.db2.gz JWWLFVCJWIGJTP-GUYCJALGSA-N 1 0 341.415 2.179 20 5 EEBDRO CN(CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000597924919 468712870 /nfs/dbraw/zinc/71/28/70/468712870.db2.gz VDEWMEMOUQBSDJ-ZDUSSCGKSA-N 1 0 334.420 2.020 20 5 EEBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558748977 468713574 /nfs/dbraw/zinc/71/35/74/468713574.db2.gz LBANSGWWMYRGKA-UHFFFAOYSA-N 1 0 337.424 2.292 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000594982459 468738451 /nfs/dbraw/zinc/73/84/51/468738451.db2.gz SBDURLMVKOMHDC-UHFFFAOYSA-N 1 0 334.328 2.072 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104717 468742490 /nfs/dbraw/zinc/74/24/90/468742490.db2.gz DRLYFICHWQHNBG-AWEZNQCLSA-N 1 0 343.431 2.003 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000583853403 468764495 /nfs/dbraw/zinc/76/44/95/468764495.db2.gz NZJCJMXYTXBTDQ-MAZHCROVSA-N 1 0 333.388 2.245 20 5 EEBDRO O=C(CC[N@H+](C1CC1)C1(CO)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595534907 468891380 /nfs/dbraw/zinc/89/13/80/468891380.db2.gz YBZDFXHXMBDJSK-UHFFFAOYSA-N 1 0 333.388 2.303 20 5 EEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000598668442 468951685 /nfs/dbraw/zinc/95/16/85/468951685.db2.gz SUTDKCQNYMQAHJ-KBXCAEBGSA-N 1 0 344.415 2.148 20 5 EEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000598668229 468951952 /nfs/dbraw/zinc/95/19/52/468951952.db2.gz QVPWWUVCRVVDOD-APPDUMDISA-N 1 0 326.356 2.096 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CO)CCCC3)CC2)cn1 ZINC000602620419 468970424 /nfs/dbraw/zinc/97/04/24/468970424.db2.gz WRPYJZSVSJUOOO-UHFFFAOYSA-N 1 0 334.420 2.101 20 5 EEBDRO CNc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000572713174 468977683 /nfs/dbraw/zinc/97/76/83/468977683.db2.gz NUGZBSJEUZXVCP-GFCCVEGCSA-N 1 0 332.404 2.241 20 5 EEBDRO O=C1CCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)N1 ZINC000602638393 468981070 /nfs/dbraw/zinc/98/10/70/468981070.db2.gz BVTLYFYRYNIBAF-SSDOTTSWSA-N 1 0 348.222 2.177 20 5 EEBDRO Cc1c(C[N@H+](CCN2CCOCC2)CC2CC2)cccc1[N+](=O)[O-] ZINC000595809931 469023742 /nfs/dbraw/zinc/02/37/42/469023742.db2.gz UVGPWHYRWPWSQV-UHFFFAOYSA-N 1 0 333.432 2.447 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610719355 469049082 /nfs/dbraw/zinc/04/90/82/469049082.db2.gz KKBMAAQMIOYWMQ-OAHLLOKOSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)CO ZINC000595872624 469056087 /nfs/dbraw/zinc/05/60/87/469056087.db2.gz KEQKEQWTTMBMCF-BZNIZROVSA-N 1 0 332.360 2.095 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595877502 469058429 /nfs/dbraw/zinc/05/84/29/469058429.db2.gz UOMBBUMSHCMYJM-BMIGLBTASA-N 1 0 341.795 2.137 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595876393 469058654 /nfs/dbraw/zinc/05/86/54/469058654.db2.gz SRYLQAKKILRXQB-SUMWQHHRSA-N 1 0 335.404 2.182 20 5 EEBDRO COc1c(C)cnc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])c1C ZINC000602834815 469106935 /nfs/dbraw/zinc/10/69/35/469106935.db2.gz DJFDOLLHLAVZGG-UHFFFAOYSA-N 1 0 333.392 2.252 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)C1CC1 ZINC000593722552 469108861 /nfs/dbraw/zinc/10/88/61/469108861.db2.gz WROGFHWDZVNBGS-WMZOPIPTSA-N 1 0 334.416 2.437 20 5 EEBDRO CCn1nccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596092460 469151760 /nfs/dbraw/zinc/15/17/60/469151760.db2.gz ALPHKSNCNMYHMU-LBPRGKRZSA-N 1 0 331.376 2.318 20 5 EEBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084783 469156107 /nfs/dbraw/zinc/15/61/07/469156107.db2.gz STFDQNVVVOPUFV-LBPRGKRZSA-N 1 0 332.404 2.017 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611088178 469159049 /nfs/dbraw/zinc/15/90/49/469159049.db2.gz IHWKUCIXNGDAQU-NSHDSACASA-N 1 0 325.796 2.343 20 5 EEBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000596124436 469167152 /nfs/dbraw/zinc/16/71/52/469167152.db2.gz WOYZOEFKOINXDD-LBPRGKRZSA-N 1 0 332.282 2.487 20 5 EEBDRO NC(=O)c1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596137595 469172191 /nfs/dbraw/zinc/17/21/91/469172191.db2.gz MZLLXACWXCEPEI-ZDUSSCGKSA-N 1 0 332.404 2.006 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611155680 469175909 /nfs/dbraw/zinc/17/59/09/469175909.db2.gz JZMCXDLFZFAASF-HNNXBMFYSA-N 1 0 334.420 2.309 20 5 EEBDRO COCC(=O)NC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515292 469269390 /nfs/dbraw/zinc/26/93/90/469269390.db2.gz BJQBEQHSAIVJIR-ZDUSSCGKSA-N 1 0 335.404 2.191 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000611533507 469274331 /nfs/dbraw/zinc/27/43/31/469274331.db2.gz IOCZOGPNSWZNSQ-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000596636394 469317999 /nfs/dbraw/zinc/31/79/99/469317999.db2.gz VCMSWLVKUWDGHO-CQSZACIVSA-N 1 0 348.403 2.278 20 5 EEBDRO C[C@@H](O)CC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602549312 469357704 /nfs/dbraw/zinc/35/77/04/469357704.db2.gz AVYLVEQSVKHHFB-CYBMUJFWSA-N 1 0 336.436 2.345 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOc2ccccc2C1 ZINC000612030368 469369911 /nfs/dbraw/zinc/36/99/11/469369911.db2.gz KHTMOMFTWBXYLZ-HNNXBMFYSA-N 1 0 344.367 2.229 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000603577764 469412814 /nfs/dbraw/zinc/41/28/14/469412814.db2.gz PFDLLDOPRBKAHC-UHFFFAOYSA-N 1 0 346.387 2.263 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603635598 469420150 /nfs/dbraw/zinc/42/01/50/469420150.db2.gz GIBDKSIVBRKNAD-OAHLLOKOSA-N 1 0 342.399 2.328 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610244746 469992837 /nfs/dbraw/zinc/99/28/37/469992837.db2.gz NEPHYPNJDHRXGY-GFCCVEGCSA-N 1 0 349.387 2.270 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000193493379 534122745 /nfs/dbraw/zinc/12/27/45/534122745.db2.gz NULSKECWEJLZAB-WMLDXEAASA-N 1 0 349.434 2.411 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520433206 517655457 /nfs/dbraw/zinc/65/54/57/517655457.db2.gz KYPSXEQBZGJWPQ-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132672778 527744157 /nfs/dbraw/zinc/74/41/57/527744157.db2.gz BIRPQNIVWSEDLD-ZFWWWQNUSA-N 1 0 338.404 2.270 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000179418163 528594526 /nfs/dbraw/zinc/59/45/26/528594526.db2.gz YLOWSORMNXBIST-GFCCVEGCSA-N 1 0 337.376 2.486 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944902 529065691 /nfs/dbraw/zinc/06/56/91/529065691.db2.gz HPBQRWRCFVPGMN-SECBINFHSA-N 1 0 332.307 2.301 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193305635 535036448 /nfs/dbraw/zinc/03/64/48/535036448.db2.gz USYMRTSEGUVTDM-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000423717165 535426323 /nfs/dbraw/zinc/42/63/23/535426323.db2.gz JTVBNPJVJQTCNW-UONOGXRCSA-N 1 0 347.415 2.455 20 5 EEBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000491796739 535935729 /nfs/dbraw/zinc/93/57/29/535935729.db2.gz NITWIOKCQBZELS-LLCTXKFZSA-N 1 0 333.363 2.300 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425063047 536487945 /nfs/dbraw/zinc/48/79/45/536487945.db2.gz DYLRAQSEEDCNJB-GOEBONIOSA-N 1 0 345.399 2.110 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459774763 536799635 /nfs/dbraw/zinc/79/96/35/536799635.db2.gz UGMZUNHPOMHPLI-NILFDRSVSA-N 1 0 333.388 2.469 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738225781 578004615 /nfs/dbraw/zinc/00/46/15/578004615.db2.gz UFJGPLBBBPGNJO-AWEZNQCLSA-N 1 0 329.404 2.299 20 5 EEBDRO CC[C@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000732182101 577153558 /nfs/dbraw/zinc/15/35/58/577153558.db2.gz CVCXMPWIQMIYPL-YVEFUNNKSA-N 1 0 348.403 2.297 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000771768170 577229162 /nfs/dbraw/zinc/22/91/62/577229162.db2.gz HCEKAPKAQQPEMK-UHFFFAOYSA-N 1 0 347.412 2.005 20 5 EEBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000776519657 577461340 /nfs/dbraw/zinc/46/13/40/577461340.db2.gz BRDBXWPVRWRUME-HNNXBMFYSA-N 1 0 344.795 2.431 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000776591261 577463645 /nfs/dbraw/zinc/46/36/45/577463645.db2.gz INNCEOCLHWTCKL-JFIYKMOQSA-N 1 0 349.431 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000776592280 577463733 /nfs/dbraw/zinc/46/37/33/577463733.db2.gz WIQDVQURSBJGGR-MSOLQXFVSA-N 1 0 328.368 2.220 20 5 EEBDRO C[NH+](C)CCCNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000763303019 577718743 /nfs/dbraw/zinc/71/87/43/577718743.db2.gz CTBREORENHFJLB-UHFFFAOYSA-N 1 0 336.461 2.385 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000746667123 577932003 /nfs/dbraw/zinc/93/20/03/577932003.db2.gz VRCXXYHDSAPAJQ-CVEARBPZSA-N 1 0 339.823 2.279 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749800276 577981977 /nfs/dbraw/zinc/98/19/77/577981977.db2.gz RFZZYOHOPMTMLC-GJZGRUSLSA-N 1 0 343.387 2.169 20 5 EEBDRO Cc1cn(CN2C[C@@H]3[C@H](C2)C3(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000742163487 578128208 /nfs/dbraw/zinc/12/82/08/578128208.db2.gz BNJLNIOYHFYCQY-OKILXGFUSA-N 1 0 342.399 2.401 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000737114078 578238960 /nfs/dbraw/zinc/23/89/60/578238960.db2.gz CVJUWDXHYKOWOC-UHFFFAOYSA-N 1 0 340.343 2.073 20 5 EEBDRO CC(C)C[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000820092242 606644700 /nfs/dbraw/zinc/64/47/00/606644700.db2.gz JNSUITCFTJCIEX-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820091836 606808539 /nfs/dbraw/zinc/80/85/39/606808539.db2.gz BFRJJJLCBXAKCC-GFCCVEGCSA-N 1 0 345.407 2.165 20 5 EEBDRO Cc1cc(OCC(=O)N(C)CC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000890880893 675694128 /nfs/dbraw/zinc/69/41/28/675694128.db2.gz PKYYXCZBHAWQHI-UHFFFAOYSA-N 1 0 337.420 2.328 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(F)c1 ZINC001021957491 676562223 /nfs/dbraw/zinc/56/22/23/676562223.db2.gz TYCWZQZTSVLGHR-GASCZTMLSA-N 1 0 344.346 2.180 20 5 EEBDRO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000891752370 676816333 /nfs/dbraw/zinc/81/63/33/676816333.db2.gz ZULBTSSPKAKBSO-FQUUOJAGSA-N 1 0 332.404 2.486 20 5 EEBDRO COCC[NH+]1CCC(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892012459 677906074 /nfs/dbraw/zinc/90/60/74/677906074.db2.gz BRYITTBXYMQJCF-UHFFFAOYSA-N 1 0 348.378 2.227 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC000102481167 679803367 /nfs/dbraw/zinc/80/33/67/679803367.db2.gz HSMNTLQFHTZUCU-UHFFFAOYSA-N 1 0 338.364 2.272 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC000983302405 682218661 /nfs/dbraw/zinc/21/86/61/682218661.db2.gz QYCFZQHJJMFXAJ-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO COc1c(O)ccc(C[NH2+]C2CCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000892758856 683000601 /nfs/dbraw/zinc/00/06/01/683000601.db2.gz PMQJHHNZESIMCX-UHFFFAOYSA-N 1 0 345.346 2.128 20 5 EEBDRO CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140038 683552526 /nfs/dbraw/zinc/55/25/26/683552526.db2.gz VOBQUMINLVWXNF-MUIFIZLQSA-N 1 0 331.416 2.212 20 5 EEBDRO CCC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058151 683584317 /nfs/dbraw/zinc/58/43/17/683584317.db2.gz IGPJLGUPXUIGFP-SNVBAGLBSA-N 1 0 329.198 2.331 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000895228250 684311383 /nfs/dbraw/zinc/31/13/83/684311383.db2.gz XGHUCQYDHCCBKR-KBPBESRZSA-N 1 0 335.404 2.416 20 5 EEBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246189 684381270 /nfs/dbraw/zinc/38/12/70/684381270.db2.gz MTPRKRBTIYRYLT-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895316427 684481790 /nfs/dbraw/zinc/48/17/90/684481790.db2.gz JDHIRMSKQGAIPD-HNNXBMFYSA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1c(CC(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000893387067 685186901 /nfs/dbraw/zinc/18/69/01/685186901.db2.gz ZCAPGPIFWXMOCT-ZDUSSCGKSA-N 1 0 336.388 2.100 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC001059665151 687867975 /nfs/dbraw/zinc/86/79/75/687867975.db2.gz BVOVWCLGPNMIQX-GASCZTMLSA-N 1 0 346.431 2.304 20 5 EEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904420971 694394245 /nfs/dbraw/zinc/39/42/45/694394245.db2.gz ZWJGKWHMVOBQEV-LSDHHAIUSA-N 1 0 341.415 2.037 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237450943 691157896 /nfs/dbraw/zinc/15/78/96/691157896.db2.gz DRDJBHHDRZKKFL-LRDDRELGSA-N 1 0 343.387 2.122 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424020949 694495307 /nfs/dbraw/zinc/49/53/07/694495307.db2.gz AHLCTRRFLBHKAI-WBMJQRKESA-N 1 0 335.429 2.430 20 5 EEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000898630259 693405209 /nfs/dbraw/zinc/40/52/09/693405209.db2.gz IDRSAGNJEQLEJL-UHFFFAOYSA-N 1 0 339.417 2.030 20 5 EEBDRO Cc1nocc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001752054036 1179099978 /nfs/dbraw/zinc/09/99/78/1179099978.db2.gz KKWBHBKFIPQZTR-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@H]3C[NH2+]CC[C@H]3F)cn2)cc1 ZINC001168226413 1187398443 /nfs/dbraw/zinc/39/84/43/1187398443.db2.gz IMHFTGLGDJAHIM-KGLIPLIRSA-N 1 0 333.323 2.289 20 5 EEBDRO O=[N+]([O-])c1ncc(Br)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229561040 1187586498 /nfs/dbraw/zinc/58/64/98/1187586498.db2.gz UKTWOLZIWKKVJJ-LLVKDONJSA-N 1 0 328.166 2.225 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000905564061 1189778442 /nfs/dbraw/zinc/77/84/42/1189778442.db2.gz JWLQDXGEITZSAC-ZIAGYGMSSA-N 1 0 347.337 2.245 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000872019122 1198027285 /nfs/dbraw/zinc/02/72/85/1198027285.db2.gz SXNUPNQSTMYBCN-MNOVXSKESA-N 1 0 344.458 2.402 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141392 1198052610 /nfs/dbraw/zinc/05/26/10/1198052610.db2.gz VALUZPYBFMUFDK-OUCADQQQSA-N 1 0 326.418 2.205 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000825610460 1198209016 /nfs/dbraw/zinc/20/90/16/1198209016.db2.gz FXXGEUAAAJXNMO-UHFFFAOYSA-N 1 0 347.415 2.232 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001134387735 1199539451 /nfs/dbraw/zinc/53/94/51/1199539451.db2.gz SPJYTDVWQIMGCV-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO COc1ccc(CC(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810846793 1199775692 /nfs/dbraw/zinc/77/56/92/1199775692.db2.gz KAVAIZFVAYQAEA-KBPBESRZSA-N 1 0 334.372 2.316 20 5 EEBDRO CON(C)C(=O)C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877544121 1199961708 /nfs/dbraw/zinc/96/17/08/1199961708.db2.gz MFYLXXXQNUJROG-UHFFFAOYSA-N 1 0 335.404 2.443 20 5 EEBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877633294 1199994490 /nfs/dbraw/zinc/99/44/90/1199994490.db2.gz GKTMBJYFXNWXQS-UHFFFAOYSA-N 1 0 335.282 2.401 20 5 EEBDRO CONC(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000877786092 1200102741 /nfs/dbraw/zinc/10/27/41/1200102741.db2.gz UOPWNJPHDYVRPL-JLHYYAGUSA-N 1 0 333.388 2.388 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCOC(F)(F)F)C2)nc1 ZINC000878251471 1200353562 /nfs/dbraw/zinc/35/35/62/1200353562.db2.gz MVAIFEGSAZQUQG-JTQLQIEISA-N 1 0 334.298 2.403 20 5 EEBDRO C[C@@H]1[C@H](C)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000878340931 1200408705 /nfs/dbraw/zinc/40/87/05/1200408705.db2.gz VLDFDDRLNNVZGW-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000812330966 1200644577 /nfs/dbraw/zinc/64/45/77/1200644577.db2.gz UOWDKTPUEPKPTR-OLZOCXBDSA-N 1 0 349.406 2.422 20 5 EEBDRO C[C@@H](c1ccccc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000880248700 1201435320 /nfs/dbraw/zinc/43/53/20/1201435320.db2.gz XNDLFUHYNAJNJF-HNNXBMFYSA-N 1 0 329.404 2.170 20 5 EEBDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866244554 1201474873 /nfs/dbraw/zinc/47/48/73/1201474873.db2.gz QCDJFYOMEVEBBC-IUODEOHRSA-N 1 0 328.384 2.288 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000866346037 1201497189 /nfs/dbraw/zinc/49/71/89/1201497189.db2.gz GTYDHMCLXZSNFX-UWVGGRQHSA-N 1 0 334.355 2.337 20 5 EEBDRO CCOC1CC(O)(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866348318 1201497779 /nfs/dbraw/zinc/49/77/79/1201497779.db2.gz OOPQPCYVILNKTN-OLQXHTCTSA-N 1 0 326.368 2.185 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866358159 1201499927 /nfs/dbraw/zinc/49/99/27/1201499927.db2.gz HAQCBAQJUSBIQT-GWCFXTLKSA-N 1 0 343.424 2.122 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121162722 1201577465 /nfs/dbraw/zinc/57/74/65/1201577465.db2.gz QDNIEEOSTXOUNQ-HNNXBMFYSA-N 1 0 329.404 2.381 20 5 EEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883090556 1202010240 /nfs/dbraw/zinc/01/02/40/1202010240.db2.gz OVPMNHLHWZOHGK-BWPKMQGJSA-N 1 0 330.388 2.412 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000884361008 1202301440 /nfs/dbraw/zinc/30/14/40/1202301440.db2.gz KFCKQLBNPFFCAR-NEPJUHHUSA-N 1 0 329.759 2.172 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095418280 1205721910 /nfs/dbraw/zinc/72/19/10/1205721910.db2.gz BXIVHXHDSXUQJK-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)CCC[NH+](C)C)c1 ZINC001095722990 1205924327 /nfs/dbraw/zinc/92/43/27/1205924327.db2.gz SCEKFLWSJDGWEZ-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929980723 1206524675 /nfs/dbraw/zinc/52/46/75/1206524675.db2.gz GKBKAUJXTFEQIB-UHFFFAOYSA-N 1 0 329.759 2.406 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000932352552 1207588552 /nfs/dbraw/zinc/58/85/52/1207588552.db2.gz BPZDEJWZQANERB-UHFFFAOYSA-N 1 0 344.774 2.137 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000932375114 1207593236 /nfs/dbraw/zinc/59/32/36/1207593236.db2.gz JSNDPTBZOQDKKW-CRAIPNDOSA-N 1 0 343.383 2.470 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932901630 1207697244 /nfs/dbraw/zinc/69/72/44/1207697244.db2.gz ATLURFXDOAJNDH-RRQGHBQHSA-N 1 0 331.416 2.499 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCOC1 ZINC000796199964 1215509400 /nfs/dbraw/zinc/50/94/00/1215509400.db2.gz UYCYDIAHQYZEKV-LBPRGKRZSA-N 1 0 325.340 2.173 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2)C(F)F ZINC000963451179 1217639572 /nfs/dbraw/zinc/63/95/72/1217639572.db2.gz GWEYNXPTXHKFLU-UHFFFAOYSA-N 1 0 339.342 2.377 20 5 EEBDRO Cc1cccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1 ZINC000963786363 1218038616 /nfs/dbraw/zinc/03/86/16/1218038616.db2.gz CJAJDPFDGKHUEF-UOAXPGHYSA-N 1 0 343.427 2.177 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCC1 ZINC001020021408 1229446083 /nfs/dbraw/zinc/44/60/83/1229446083.db2.gz WIDWQIIPKQQGQP-SHTZXODSSA-N 1 0 331.372 2.026 20 5 EEBDRO O=C(Cc1cccnc1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020079185 1229473745 /nfs/dbraw/zinc/47/37/45/1229473745.db2.gz HPRFAIOPSFJPDD-HDJSIYSDSA-N 1 0 346.412 2.031 20 5 EEBDRO CCCC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001096246942 1236621372 /nfs/dbraw/zinc/62/13/72/1236621372.db2.gz GQTAZSQXXHPSOW-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCC1=CCCCC1)CC2 ZINC001050517006 1243768841 /nfs/dbraw/zinc/76/88/41/1243768841.db2.gz MMRHLDZDWOTXRN-IAGOWNOFSA-N 1 0 347.459 2.467 20 5 EEBDRO CCCN(CCNC(=O)CC[N@H+](C)CC)c1ccccc1[N+](=O)[O-] ZINC001101179703 1245487797 /nfs/dbraw/zinc/48/77/97/1245487797.db2.gz VEMSMGVJVNFBSS-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000827407075 1248002308 /nfs/dbraw/zinc/00/23/08/1248002308.db2.gz ZZXLECDRLUDECZ-UHFFFAOYSA-N 1 0 335.404 2.088 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100751098 1259213126 /nfs/dbraw/zinc/21/31/26/1259213126.db2.gz IBNAKLDLPDHQDI-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO C[S@@](=O)CCN1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853369405 1292365569 /nfs/dbraw/zinc/36/55/69/1292365569.db2.gz XNDQDQYDGFMYRJ-HSZRJFAPSA-N 1 0 347.387 2.033 20 5 EEBDRO Nc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000854497682 1292811627 /nfs/dbraw/zinc/81/16/27/1292811627.db2.gz UWDJXHYLIBHNFR-UHFFFAOYSA-N 1 0 348.403 2.151 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000856478205 1293540852 /nfs/dbraw/zinc/54/08/52/1293540852.db2.gz XTMPTXOIOCGDCT-CQSZACIVSA-N 1 0 346.431 2.337 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000931278538 1297128264 /nfs/dbraw/zinc/12/82/64/1297128264.db2.gz DYWUHPJFTOBXFV-ZSHCYNCHSA-N 1 0 328.372 2.242 20 5 EEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1 ZINC001218356686 1297640985 /nfs/dbraw/zinc/64/09/85/1297640985.db2.gz RCOKRWUKCDXAQF-YOEHRIQHSA-N 1 0 337.484 2.372 20 5 EEBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218482105 1297678133 /nfs/dbraw/zinc/67/81/33/1297678133.db2.gz CDJDIPPNEAKFDM-PELKAZGASA-N 1 0 328.752 2.412 20 5 EEBDRO CC(C)(O)CC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001223052093 1299964439 /nfs/dbraw/zinc/96/44/39/1299964439.db2.gz QRYDIMYKJNDVGO-UHFFFAOYSA-N 1 0 349.431 2.084 20 5 EEBDRO CCOC(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001223966291 1300355947 /nfs/dbraw/zinc/35/59/47/1300355947.db2.gz IJVSUCLXYCOBFF-GFCCVEGCSA-N 1 0 325.385 2.383 20 5 EEBDRO CCOC(=O)c1cnc(C(F)(F)F)nc1O[C@@H](C)C[N+](C)(C)C ZINC001226275595 1301331533 /nfs/dbraw/zinc/33/15/33/1301331533.db2.gz SPFAUMACBLTOFW-VIFPVBQESA-N 1 0 336.334 2.146 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227515387 1301861765 /nfs/dbraw/zinc/86/17/65/1301861765.db2.gz ITMMJJFXFFISGW-JTQLQIEISA-N 1 0 348.384 2.387 20 5 EEBDRO CCCCOC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228211216 1302157194 /nfs/dbraw/zinc/15/71/94/1302157194.db2.gz DGSFQLVYAJQQGX-CQSZACIVSA-N 1 0 338.424 2.006 20 5 EEBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC000783678866 1304326213 /nfs/dbraw/zinc/32/62/13/1304326213.db2.gz LRCFTXMYLBVLJC-OAHLLOKOSA-N 1 0 342.779 2.450 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC001120580842 1309622778 /nfs/dbraw/zinc/62/27/78/1309622778.db2.gz FUFGEPHFLUZJCI-MOPGFXCFSA-N 1 0 342.395 2.442 20 5 EEBDRO COC(=O)[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947303 1320993621 /nfs/dbraw/zinc/99/36/21/1320993621.db2.gz ALIYWMYVSJRFFO-SNVBAGLBSA-N 1 0 335.282 2.304 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCSCC2CC[NH2+]CC2)cc1 ZINC000830490232 1314538651 /nfs/dbraw/zinc/53/86/51/1314538651.db2.gz TYMSQXDZLAPFQV-UHFFFAOYSA-N 1 0 344.458 2.101 20 5 EEBDRO CO[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000840126552 1315302705 /nfs/dbraw/zinc/30/27/05/1315302705.db2.gz PQGPYEQYCZGAMQ-DOMZBBRYSA-N 1 0 331.376 2.168 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841858808 1315625632 /nfs/dbraw/zinc/62/56/32/1315625632.db2.gz VEUZTQYBNJNRAI-HZMBPMFUSA-N 1 0 338.795 2.142 20 5 EEBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000842575721 1315724813 /nfs/dbraw/zinc/72/48/13/1315724813.db2.gz DAPGZQYDBCQFOE-SNVBAGLBSA-N 1 0 328.332 2.153 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000843062196 1315832388 /nfs/dbraw/zinc/83/23/88/1315832388.db2.gz NHQLIKQQGHYMBM-QANKJYHBSA-N 1 0 346.383 2.046 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000843093977 1315840460 /nfs/dbraw/zinc/84/04/60/1315840460.db2.gz SEYJMEITNSTFLQ-QZTJIDSGSA-N 1 0 330.384 2.212 20 5 EEBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000843108431 1315844517 /nfs/dbraw/zinc/84/45/17/1315844517.db2.gz NWQIHUDYVCJUMN-SJORKVTESA-N 1 0 345.399 2.373 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@H]([NH3+])c3ccccc3)n2)n1C ZINC000843223159 1315869386 /nfs/dbraw/zinc/86/93/86/1315869386.db2.gz YYMCXIUHYBQTIL-LBPRGKRZSA-N 1 0 342.359 2.319 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843481861 1315921405 /nfs/dbraw/zinc/92/14/05/1315921405.db2.gz UAKULRKDJLBBCZ-CHWSQXEVSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001152078517 1316629473 /nfs/dbraw/zinc/62/94/73/1316629473.db2.gz RXDYUUMTCMFLBF-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncs1 ZINC001155209289 1317502604 /nfs/dbraw/zinc/50/26/04/1317502604.db2.gz VNFILEHYNLWODA-UHFFFAOYSA-N 1 0 326.403 2.023 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)nc21 ZINC001155385137 1317574809 /nfs/dbraw/zinc/57/48/09/1317574809.db2.gz WPGSDOSIPQEQAM-GFCCVEGCSA-N 1 0 345.403 2.432 20 5 EEBDRO Cc1cc(Cl)nc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155476456 1317613266 /nfs/dbraw/zinc/61/32/66/1317613266.db2.gz FSESQHMSSPCOTL-JTQLQIEISA-N 1 0 326.784 2.132 20 5 EEBDRO Cc1cc(Cl)nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155616222 1317675372 /nfs/dbraw/zinc/67/53/72/1317675372.db2.gz CCIPTYSKOIBMSV-YGRLFVJLSA-N 1 0 326.784 2.275 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001254480013 1318084100 /nfs/dbraw/zinc/08/41/00/1318084100.db2.gz UHPIPYYFNMZIIG-UHFFFAOYSA-N 1 0 347.415 2.403 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C(=O)N(C)C)C1 ZINC001254548250 1318119116 /nfs/dbraw/zinc/11/91/16/1318119116.db2.gz MHQGGYHLVIPVIY-HIFRSBDPSA-N 1 0 334.420 2.261 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001254565387 1318121883 /nfs/dbraw/zinc/12/18/83/1318121883.db2.gz OUJIBJZQHICYRN-ZDUSSCGKSA-N 1 0 333.388 2.490 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001254571653 1318126835 /nfs/dbraw/zinc/12/68/35/1318126835.db2.gz ZWVJKVYFSJCMMA-UKRRQHHQSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCN(c3ccncn3)C1)C2 ZINC001254586247 1318135123 /nfs/dbraw/zinc/13/51/23/1318135123.db2.gz JEYCBCUZRYUEDZ-JKSUJKDBSA-N 1 0 339.399 2.111 20 5 EEBDRO O=C(C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCC1 ZINC001254601302 1318139784 /nfs/dbraw/zinc/13/97/84/1318139784.db2.gz XQUSUWDCRYGUCO-GOSISDBHSA-N 1 0 343.427 2.396 20 5 EEBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608374 1318141840 /nfs/dbraw/zinc/14/18/40/1318141840.db2.gz RBCDYPYBQJIBKU-WGHIXYSZSA-N 1 0 330.384 2.336 20 5 EEBDRO CCC[NH+]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001157690759 1318799730 /nfs/dbraw/zinc/79/97/30/1318799730.db2.gz MVWVNNGKOTYLTA-CHWSQXEVSA-N 1 0 327.388 2.316 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767109 1318845898 /nfs/dbraw/zinc/84/58/98/1318845898.db2.gz HUTCIYGUCBSIGL-IAGOWNOFSA-N 1 0 331.416 2.215 20 5 EEBDRO CCc1cc(NCC2C[NH+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159222450 1319688680 /nfs/dbraw/zinc/68/86/80/1319688680.db2.gz MVPVLYFFGBYKKZ-UHFFFAOYSA-N 1 0 327.388 2.010 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161468968 1320509743 /nfs/dbraw/zinc/50/97/43/1320509743.db2.gz AQQPOEXQIIVTHL-HNNXBMFYSA-N 1 0 341.415 2.381 20 5 EEBDRO CCc1cccnc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161518503 1320524439 /nfs/dbraw/zinc/52/44/39/1320524439.db2.gz FCOZGRNROVAWOL-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO COc1cc2ncnc(NC3C[NH+](C(C)(C)C)C3)c2cc1[N+](=O)[O-] ZINC001162221954 1320788078 /nfs/dbraw/zinc/78/80/78/1320788078.db2.gz XASXDGIGRZYPRN-UHFFFAOYSA-N 1 0 331.376 2.441 20 5 EEBDRO COC(=O)COc1c(C)cc(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402811 1320846333 /nfs/dbraw/zinc/84/63/33/1320846333.db2.gz ALDWMXXMMMUKSW-RYUDHWBXSA-N 1 0 337.376 2.137 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)cnc1Cl ZINC001162789733 1320959011 /nfs/dbraw/zinc/95/90/11/1320959011.db2.gz LCWBQWKMKIQVEI-FKTZTGRPSA-N 1 0 330.722 2.056 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162792536 1320959829 /nfs/dbraw/zinc/95/98/29/1320959829.db2.gz HUJYKLPLOJZDOV-FBIMIBRVSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)cc(C(F)(F)F)c1 ZINC001163074452 1321028919 /nfs/dbraw/zinc/02/89/19/1321028919.db2.gz WTJUQBLOXBLRCE-LBPRGKRZSA-N 1 0 331.294 2.404 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163269380 1321082995 /nfs/dbraw/zinc/08/29/95/1321082995.db2.gz JVQRQIXDDCUTNH-BDJLRTHQSA-N 1 0 331.376 2.042 20 5 EEBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001165109298 1321456323 /nfs/dbraw/zinc/45/63/23/1321456323.db2.gz SQSDHXORLYZQGO-OAHLLOKOSA-N 1 0 334.420 2.378 20 5 EEBDRO C[NH+](C)C1(C)CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001165121112 1321459056 /nfs/dbraw/zinc/45/90/56/1321459056.db2.gz FVHSAABESMCCIF-UHFFFAOYSA-N 1 0 331.351 2.331 20 5 EEBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C1 ZINC001165187352 1321469008 /nfs/dbraw/zinc/46/90/08/1321469008.db2.gz OJCGPXZVUMWONZ-DDJMYBDESA-N 1 0 333.436 2.441 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC3(CCCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001165248069 1321483316 /nfs/dbraw/zinc/48/33/16/1321483316.db2.gz BVBUKFWPRVFKCO-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO Cc1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165394894 1321515969 /nfs/dbraw/zinc/51/59/69/1321515969.db2.gz KRDMKXJYGGRIQP-LSDHHAIUSA-N 1 0 325.372 2.301 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]2CF)CC1 ZINC001165431808 1321524934 /nfs/dbraw/zinc/52/49/34/1321524934.db2.gz RJNGKILIIYKSKY-GWCFXTLKSA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1cc(CCC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001166415463 1321715539 /nfs/dbraw/zinc/71/55/39/1321715539.db2.gz MHEFCWYIAQTESN-UHFFFAOYSA-N 1 0 346.387 2.120 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001166701581 1321769622 /nfs/dbraw/zinc/76/96/22/1321769622.db2.gz RKBWCJBWXXWBEB-CYBMUJFWSA-N 1 0 336.355 2.233 20 5 EEBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cccc([N+](=O)[O-])n2)C1 ZINC001166873845 1321806345 /nfs/dbraw/zinc/80/63/45/1321806345.db2.gz FISATXRQPFIWIY-JTQLQIEISA-N 1 0 333.417 2.178 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001166900880 1321812821 /nfs/dbraw/zinc/81/28/21/1321812821.db2.gz WCEMQCQYRPKGIW-LLVKDONJSA-N 1 0 325.800 2.315 20 5 EEBDRO COC(=O)C1(Nc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]CC1 ZINC001166969378 1321828075 /nfs/dbraw/zinc/82/80/75/1321828075.db2.gz YDLXAXUHKHOLLK-UHFFFAOYSA-N 1 0 329.356 2.455 20 5 EEBDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC001308292489 1331582007 /nfs/dbraw/zinc/58/20/07/1331582007.db2.gz MMJODBNCMXQSML-MRXNPFEDSA-N 1 0 342.355 2.412 20 5 EEBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001319752271 1332759020 /nfs/dbraw/zinc/75/90/20/1332759020.db2.gz ZJEDTMMLUUIQSF-HNNXBMFYSA-N 1 0 329.404 2.381 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001320685049 1332935477 /nfs/dbraw/zinc/93/54/77/1332935477.db2.gz YFBVGANQQIUPOG-UHFFFAOYSA-N 1 0 329.360 2.176 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001325373669 1333874952 /nfs/dbraw/zinc/87/49/52/1333874952.db2.gz YCAOIKKYYXLDLZ-HIFRSBDPSA-N 1 0 334.420 2.482 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001327488022 1334300529 /nfs/dbraw/zinc/30/05/29/1334300529.db2.gz WMKGXCBLISTGJG-VIFPVBQESA-N 1 0 348.325 2.411 20 5 EEBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001609307460 1351926704 /nfs/dbraw/zinc/92/67/04/1351926704.db2.gz BHRDXDYXPJNSRN-QLJPJBMISA-N 1 0 346.391 2.068 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001609307459 1351926912 /nfs/dbraw/zinc/92/69/12/1351926912.db2.gz BHRDXDYXPJNSRN-QFYYESIMSA-N 1 0 346.391 2.068 20 5 EEBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001330931374 1334929335 /nfs/dbraw/zinc/92/93/35/1334929335.db2.gz YCKUHABGDXDZGW-QGZVFWFLSA-N 1 0 341.367 2.390 20 5 EEBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001331462517 1335018048 /nfs/dbraw/zinc/01/80/48/1335018048.db2.gz IRBIVOLZZXNDHD-QMMMGPOBSA-N 1 0 333.722 2.223 20 5 EEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC001332150403 1335745247 /nfs/dbraw/zinc/74/52/47/1335745247.db2.gz HYMVNQMBQNYMBC-GUYCJALGSA-N 1 0 344.371 2.177 20 5 EEBDRO O=[N+]([O-])c1cnn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001333331042 1336010164 /nfs/dbraw/zinc/01/01/64/1336010164.db2.gz LTAXTWDEPWYJIT-DLBZAZTESA-N 1 0 341.415 2.203 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1 ZINC001338553297 1336875834 /nfs/dbraw/zinc/87/58/34/1336875834.db2.gz ZYPDVBKNRXYENI-GDBMZVCRSA-N 1 0 332.331 2.361 20 5 EEBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001344479682 1337396708 /nfs/dbraw/zinc/39/67/08/1337396708.db2.gz VWIQYKYJUKYABL-AWEZNQCLSA-N 1 0 338.456 2.192 20 5 EEBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)C[C@H]1[NH3+] ZINC001576819661 1344065667 /nfs/dbraw/zinc/06/56/67/1344065667.db2.gz PXWGZKQKNRLNRQ-XHDPSFHLSA-N 1 0 342.403 2.047 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC2(C[NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC001578053296 1344227546 /nfs/dbraw/zinc/22/75/46/1344227546.db2.gz IOVWKPXJALMNGI-UHFFFAOYSA-N 1 0 349.387 2.163 20 5 EEBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578676078 1344294277 /nfs/dbraw/zinc/29/42/77/1344294277.db2.gz XUQRUMHPXCAUQM-NSHDSACASA-N 1 0 340.811 2.435 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001579179971 1344348595 /nfs/dbraw/zinc/34/85/95/1344348595.db2.gz KLERHSSMESXDGZ-RTXFEEFZSA-N 1 0 334.376 2.248 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1(C(F)(F)F)CC[NH2+]CC1 ZINC001579242120 1344357969 /nfs/dbraw/zinc/35/79/69/1344357969.db2.gz JGMZNYQDVKXQKT-UHFFFAOYSA-N 1 0 347.293 2.018 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001579734781 1344411125 /nfs/dbraw/zinc/41/11/25/1344411125.db2.gz LVMDOGUTIAOJBV-UHFFFAOYSA-N 1 0 348.403 2.198 20 5 EEBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[C@@H]1CC[NH2+]C1 ZINC001579902201 1344430383 /nfs/dbraw/zinc/43/03/83/1344430383.db2.gz DOTDGZDXWMSDMT-AWEZNQCLSA-N 1 0 344.419 2.131 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591065742 1349437524 /nfs/dbraw/zinc/43/75/24/1349437524.db2.gz YHSNNLMUPABTTF-LBPRGKRZSA-N 1 0 345.407 2.086 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(CCF)CC1 ZINC001593467902 1349805138 /nfs/dbraw/zinc/80/51/38/1349805138.db2.gz WVTKUUMQFSRAEE-UHFFFAOYSA-N 1 0 334.355 2.347 20 5 EEBDRO CC[NH+](CC)CCSc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604285462 1350909518 /nfs/dbraw/zinc/90/95/18/1350909518.db2.gz COBUTTHTZPQQHC-UHFFFAOYSA-N 1 0 340.384 2.348 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997307 1351049025 /nfs/dbraw/zinc/04/90/25/1351049025.db2.gz BILMEVXITOPHMD-QFYYESIMSA-N 1 0 346.391 2.068 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564279 1368036393 /nfs/dbraw/zinc/03/63/93/1368036393.db2.gz DUTMFPJRVHDJGQ-BXUZGUMPSA-N 1 0 349.362 2.407 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000852758519 1369298399 /nfs/dbraw/zinc/29/83/99/1369298399.db2.gz BDJBDOBZPFPZPX-PWSUYJOCSA-N 1 0 340.811 2.246 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809787 1369397274 /nfs/dbraw/zinc/39/72/74/1369397274.db2.gz LWBMYSYFPQTJTQ-LBPRGKRZSA-N 1 0 332.404 2.314 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CON=C(N)C[NH+]1CCCCCC1 ZINC000797422046 1371530777 /nfs/dbraw/zinc/53/07/77/1371530777.db2.gz GRTGPJSBXWDWIW-UHFFFAOYSA-N 1 0 336.392 2.478 20 5 EEBDRO C[C@@H](COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001123221555 1372109714 /nfs/dbraw/zinc/10/97/14/1372109714.db2.gz SDHOAULVBCRTRN-ZIAGYGMSSA-N 1 0 336.388 2.210 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000839439570 1372902406 /nfs/dbraw/zinc/90/24/06/1372902406.db2.gz BEXAZXXZIRPKRO-SNVBAGLBSA-N 1 0 327.331 2.428 20 5 EEBDRO CC(F)(F)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001752767601 1406377598 /nfs/dbraw/zinc/37/75/98/1406377598.db2.gz ZVGCKYLPUKZHNJ-TXEJJXNPSA-N 1 0 327.331 2.377 20 5 EEBDRO CN(CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001100242526 1410536558 /nfs/dbraw/zinc/53/65/58/1410536558.db2.gz XFYOAYGTJGMYEQ-UHFFFAOYSA-N 1 0 339.355 2.109 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c21 ZINC001164775246 721301873 /nfs/dbraw/zinc/30/18/73/721301873.db2.gz UGDNVEWNMKNHKN-UHFFFAOYSA-N 1 0 339.399 2.460 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160997 757427614 /nfs/dbraw/zinc/42/76/14/757427614.db2.gz OUVFXIGFFHNUSN-UHFFFAOYSA-N 1 0 339.399 2.213 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCC1 ZINC001104401152 760281066 /nfs/dbraw/zinc/28/10/66/760281066.db2.gz VTDZQNNNTMIUSQ-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000893603194 774534746 /nfs/dbraw/zinc/53/47/46/774534746.db2.gz UQNGCGABXMACMS-IINYFYTJSA-N 1 0 338.795 2.094 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000981763041 778157952 /nfs/dbraw/zinc/15/79/52/778157952.db2.gz CEQPOXWOBUSBLN-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000846944345 790761894 /nfs/dbraw/zinc/76/18/94/790761894.db2.gz VTMFMNHHDPOMJM-SFHVURJKSA-N 1 0 344.415 2.087 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000893745749 780149259 /nfs/dbraw/zinc/14/92/59/780149259.db2.gz YUWDLLZBLYWVMA-INIZCTEOSA-N 1 0 342.399 2.362 20 5 EEBDRO C[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000894079793 780506945 /nfs/dbraw/zinc/50/69/45/780506945.db2.gz HRFKSVMYIFQDTR-TXEJJXNPSA-N 1 0 348.378 2.173 20 5 EEBDRO N=C(Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1)SCC[NH3+] ZINC001167914485 780527466 /nfs/dbraw/zinc/52/74/66/780527466.db2.gz LZWBKFVZDKPIED-UHFFFAOYSA-N 1 0 334.361 2.216 20 5 EEBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000906356489 783862739 /nfs/dbraw/zinc/86/27/39/783862739.db2.gz WGFWNFBTQBRDBN-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000817289671 784631960 /nfs/dbraw/zinc/63/19/60/784631960.db2.gz BOKQPLMVPUIUSJ-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000819175878 785447181 /nfs/dbraw/zinc/44/71/81/785447181.db2.gz COEFMYUXQJTFNZ-IMJJTQAJSA-N 1 0 338.429 2.273 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173227 785447591 /nfs/dbraw/zinc/44/75/91/785447591.db2.gz KZCSJGNLOGXXFL-WMLDXEAASA-N 1 0 347.415 2.151 20 5 EEBDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000170903930 791134144 /nfs/dbraw/zinc/13/41/44/791134144.db2.gz KVOQBKTVWBGYOG-UHFFFAOYSA-N 1 0 342.399 2.347 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820714973 786434382 /nfs/dbraw/zinc/43/43/82/786434382.db2.gz JTEIPGUPKQTRRD-HUUCEWRRSA-N 1 0 343.387 2.095 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107232571 786546697 /nfs/dbraw/zinc/54/66/97/786546697.db2.gz CASXANYLHZUPQI-SNAWJCMRSA-N 1 0 338.383 2.158 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1nccc(C)c1[N+](=O)[O-] ZINC001107275243 786686656 /nfs/dbraw/zinc/68/66/56/786686656.db2.gz QZTYOLXLEAWPLQ-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CC=C(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001127749818 786750922 /nfs/dbraw/zinc/75/09/22/786750922.db2.gz WWXUPLVIMOMPEY-UHFFFAOYSA-N 1 0 346.431 2.108 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC/C=C\CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107470645 787323949 /nfs/dbraw/zinc/32/39/49/787323949.db2.gz AQJQRUPXPXHPFZ-ARJAWSKDSA-N 1 0 332.404 2.021 20 5 EEBDRO COCC1(c2nc(-c3cccc([N+](=O)[O-])c3C)no2)CC[NH2+]CC1 ZINC000823270352 787649118 /nfs/dbraw/zinc/64/91/18/787649118.db2.gz QETVGWCBTJSNNL-UHFFFAOYSA-N 1 0 332.360 2.221 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@](C)(O)c1ccccc1 ZINC000823606202 787829225 /nfs/dbraw/zinc/82/92/25/787829225.db2.gz QZIUSXDUAACVCW-ROUUACIJSA-N 1 0 330.384 2.468 20 5 EEBDRO [NH3+]Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973344 787865194 /nfs/dbraw/zinc/86/51/94/787865194.db2.gz KBFLLRWEEPVYCI-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO COc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913289717 788766258 /nfs/dbraw/zinc/76/62/58/788766258.db2.gz VPNPZPYLNIOVAQ-CALCHBBNSA-N 1 0 333.388 2.017 20 5 EEBDRO COc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913289719 788766576 /nfs/dbraw/zinc/76/65/76/788766576.db2.gz VPNPZPYLNIOVAQ-IRXDYDNUSA-N 1 0 333.388 2.017 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000923222216 789157886 /nfs/dbraw/zinc/15/78/86/789157886.db2.gz FNYPWIUDJDVKRJ-UHFFFAOYSA-N 1 0 338.360 2.255 20 5 EEBDRO O=[N+]([O-])c1cc(NCc2ccccc2N2CC[NH2+]CC2)cnc1F ZINC001171283342 791439378 /nfs/dbraw/zinc/43/93/78/791439378.db2.gz BYDDZFHPIJRWRN-UHFFFAOYSA-N 1 0 331.351 2.151 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000173431877 791855550 /nfs/dbraw/zinc/85/55/50/791855550.db2.gz KKEKQHQQBVYHTC-ZDUSSCGKSA-N 1 0 348.403 2.124 20 5 EEBDRO COc1ccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001148881485 792787851 /nfs/dbraw/zinc/78/78/51/792787851.db2.gz QREBTAXOTBTKES-UHFFFAOYSA-N 1 0 343.383 2.052 20 5 EEBDRO CCCCCC[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093802619 795698340 /nfs/dbraw/zinc/69/83/40/795698340.db2.gz NUUDGJHAHNUATG-UHFFFAOYSA-N 1 0 337.424 2.030 20 5 EEBDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000153569497 795917318 /nfs/dbraw/zinc/91/73/18/795917318.db2.gz VTKHKNRZBADGPB-UHFFFAOYSA-N 1 0 349.387 2.259 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001094141335 795992056 /nfs/dbraw/zinc/99/20/56/795992056.db2.gz QHLBOUPOHIMPGE-UHFFFAOYSA-N 1 0 336.436 2.409 20 5 EEBDRO Cn1nc(Br)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000785512450 806505911 /nfs/dbraw/zinc/50/59/11/806505911.db2.gz ZIVWKVFRFVCLGS-UHFFFAOYSA-N 1 0 339.193 2.423 20 5 EEBDRO CC1(C(N)=O)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914231 797148398 /nfs/dbraw/zinc/14/83/98/797148398.db2.gz FGQXBESAOSLHBL-OAHLLOKOSA-N 1 0 331.416 2.430 20 5 EEBDRO CC(=O)N1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172918285 797170656 /nfs/dbraw/zinc/17/06/56/797170656.db2.gz ANJPEULWDLCHQY-GUYCJALGSA-N 1 0 331.416 2.395 20 5 EEBDRO C[C@@H](CN(C)C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006123 797193928 /nfs/dbraw/zinc/19/39/28/797193928.db2.gz MXIJCNIOHGZJIT-NSHDSACASA-N 1 0 342.390 2.382 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@](C)(C(N)=O)C(C)C)c1F ZINC001173180599 797278635 /nfs/dbraw/zinc/27/86/35/797278635.db2.gz XBDWWKVIOLZBSS-MGPLVRAMSA-N 1 0 341.383 2.163 20 5 EEBDRO CCCC[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173179759 797278957 /nfs/dbraw/zinc/27/89/57/797278957.db2.gz NXMCONQJYJERTL-JQWIXIFHSA-N 1 0 341.383 2.307 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](C)CNC(C)=O)c1F ZINC001173181539 797279350 /nfs/dbraw/zinc/27/93/50/797279350.db2.gz FVXKJFWILQONEX-MNOVXSKESA-N 1 0 341.383 2.035 20 5 EEBDRO COC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181440 797279513 /nfs/dbraw/zinc/27/95/13/797279513.db2.gz WCCVVNFJFPBOSJ-NXEZZACHSA-N 1 0 328.340 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(C)(OC)OC)c1F ZINC001173194162 797282673 /nfs/dbraw/zinc/28/26/73/797282673.db2.gz YFJRKFOKUITNNI-SNVBAGLBSA-N 1 0 330.356 2.272 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001173233103 797312197 /nfs/dbraw/zinc/31/21/97/797312197.db2.gz HAKMAFPJHKJEDT-LBPRGKRZSA-N 1 0 326.418 2.083 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccn1 ZINC001002236281 797732256 /nfs/dbraw/zinc/73/22/56/797732256.db2.gz PFJABDLDBJYKFF-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000917661161 798312128 /nfs/dbraw/zinc/31/21/28/798312128.db2.gz PBOCCFORTSWLNM-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO Cc1nc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC001002664718 798417563 /nfs/dbraw/zinc/41/75/63/798417563.db2.gz GUDUILRAKAXMSQ-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CCc1ccccc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002787367 798609569 /nfs/dbraw/zinc/60/95/69/798609569.db2.gz JGQHPEOAINTEFF-QZTJIDSGSA-N 1 0 345.443 2.037 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001156089284 803193930 /nfs/dbraw/zinc/19/39/30/803193930.db2.gz IVGURPGENIEUTF-MRVPVSSYSA-N 1 0 325.781 2.251 20 5 EEBDRO CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168963172 803551588 /nfs/dbraw/zinc/55/15/88/803551588.db2.gz OKLBANVPSKVQCU-STQMWFEESA-N 1 0 327.425 2.278 20 5 EEBDRO COCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1OC ZINC001168998151 803564078 /nfs/dbraw/zinc/56/40/78/803564078.db2.gz IVQPFENTVQLFRA-CABCVRRESA-N 1 0 338.404 2.255 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169007466 803568329 /nfs/dbraw/zinc/56/83/29/803568329.db2.gz OCRZHSKCRBBWJT-HZSPNIEDSA-N 1 0 339.436 2.421 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC001168989326 803573143 /nfs/dbraw/zinc/57/31/43/803573143.db2.gz VZAPHDCEHVIPIU-TZMCWYRMSA-N 1 0 344.408 2.025 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)C1 ZINC001168990876 803574319 /nfs/dbraw/zinc/57/43/19/803574319.db2.gz FFXRXJKEZLKRQJ-HZPDHXFCSA-N 1 0 333.432 2.456 20 5 EEBDRO CC(C)OCc1ncn2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169027412 803574868 /nfs/dbraw/zinc/57/48/68/803574868.db2.gz PIPJDLATMIMXTN-HUUCEWRRSA-N 1 0 336.436 2.459 20 5 EEBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169033631 803578642 /nfs/dbraw/zinc/57/86/42/803578642.db2.gz CQHYEWIASDLEQW-MJBXVCDLSA-N 1 0 327.425 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3nc2N2CC[NH2+]CC2)C1 ZINC001169038766 803582238 /nfs/dbraw/zinc/58/22/38/803582238.db2.gz KIWYHGPNFUBYSV-KGLIPLIRSA-N 1 0 329.404 2.064 20 5 EEBDRO CN(C)C(=O)N1CCCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018301 803587255 /nfs/dbraw/zinc/58/72/55/803587255.db2.gz APYFKNMJZQLTTD-CABCVRRESA-N 1 0 338.452 2.044 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052483 803595845 /nfs/dbraw/zinc/59/58/45/803595845.db2.gz GFEYOFBYELCRDX-ZOBORPQBSA-N 1 0 327.425 2.419 20 5 EEBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001169060368 803598888 /nfs/dbraw/zinc/59/88/88/803598888.db2.gz RIUAJQBGACGLPH-UHFFFAOYSA-N 1 0 339.373 2.168 20 5 EEBDRO Cc1cc(NCCCN(C)C(=O)C23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC001109485671 805543140 /nfs/dbraw/zinc/54/31/40/805543140.db2.gz MTKZPIDACMINOJ-UHFFFAOYSA-N 1 0 346.431 2.259 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@H+]2CCc3nccn3CC2)c([N+](=O)[O-])c1 ZINC001170350475 809918960 /nfs/dbraw/zinc/91/89/60/809918960.db2.gz AIDIGOQQNSOZFO-CYBMUJFWSA-N 1 0 330.388 2.289 20 5 EEBDRO Cc1nc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001130273022 811386822 /nfs/dbraw/zinc/38/68/22/811386822.db2.gz KYIQEUALMQMSGA-UHFFFAOYSA-N 1 0 348.428 2.117 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052916928 214155380 /nfs/dbraw/zinc/15/53/80/214155380.db2.gz NLTJILRCNFTVPM-UHFFFAOYSA-N 1 0 345.403 2.067 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397411 529467270 /nfs/dbraw/zinc/46/72/70/529467270.db2.gz PXVPGRNVFBHXLU-ZDUSSCGKSA-N 1 0 349.366 2.052 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063665643 214764400 /nfs/dbraw/zinc/76/44/00/214764400.db2.gz PZGAPUUIDRDGOM-NSHDSACASA-N 1 0 338.383 2.310 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430262 282225841 /nfs/dbraw/zinc/22/58/41/282225841.db2.gz RWKMPJBFQNOYDC-PVAVHDDUSA-N 1 0 337.395 2.417 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000178681014 232370342 /nfs/dbraw/zinc/37/03/42/232370342.db2.gz PWVYDODMPNMPLL-RYUDHWBXSA-N 1 0 336.392 2.177 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183336283 235015373 /nfs/dbraw/zinc/01/53/73/235015373.db2.gz XSISIXYWLFFITN-CJNGLKHVSA-N 1 0 337.420 2.423 20 5 EEBDRO Cc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000183892865 235254364 /nfs/dbraw/zinc/25/43/64/235254364.db2.gz VVLQRNOJCODXGJ-CQSZACIVSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1c(NC(=O)CCN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420381201 239794027 /nfs/dbraw/zinc/79/40/27/239794027.db2.gz ZAEHVLAUVVTJBI-PLQHRBFRSA-N 1 0 334.420 2.208 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000193302643 240097296 /nfs/dbraw/zinc/09/72/96/240097296.db2.gz SIPPISKANWCUFC-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000422996600 240325157 /nfs/dbraw/zinc/32/51/57/240325157.db2.gz TXSQBDBUUZJPHV-BLLLJJGKSA-N 1 0 343.387 2.207 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361100533 283856393 /nfs/dbraw/zinc/85/63/93/283856393.db2.gz YRNASEUYXHPXIM-HUUCEWRRSA-N 1 0 335.429 2.191 20 5 EEBDRO Cn1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102193 241375234 /nfs/dbraw/zinc/37/52/34/241375234.db2.gz FJBWWXPJZFPXPO-YOEHRIQHSA-N 1 0 341.415 2.179 20 5 EEBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000429768953 241815407 /nfs/dbraw/zinc/81/54/07/241815407.db2.gz BWKXDKZVBQKMPX-KBPBESRZSA-N 1 0 334.420 2.421 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000229582892 242181948 /nfs/dbraw/zinc/18/19/48/242181948.db2.gz RILDTGRCCQCXHU-QPUJVOFHSA-N 1 0 342.193 2.228 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447318581 242265383 /nfs/dbraw/zinc/26/53/83/242265383.db2.gz KQOMLOOWGFOKQN-HOTGVXAUSA-N 1 0 344.415 2.289 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449714897 242612081 /nfs/dbraw/zinc/61/20/81/242612081.db2.gz AKLQMBKFXDODCN-PWSUYJOCSA-N 1 0 341.795 2.261 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449725938 242615057 /nfs/dbraw/zinc/61/50/57/242615057.db2.gz OYZSAMJNFVICQG-IUCAKERBSA-N 1 0 342.193 2.215 20 5 EEBDRO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549165 243153913 /nfs/dbraw/zinc/15/39/13/243153913.db2.gz PBLGVRACBIXSIF-WBVHZDCISA-N 1 0 333.432 2.495 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246250111 243217812 /nfs/dbraw/zinc/21/78/12/243217812.db2.gz WMULTPHRWLAHTK-KBPBESRZSA-N 1 0 332.404 2.092 20 5 EEBDRO CNc1c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000452174624 243363142 /nfs/dbraw/zinc/36/31/42/243363142.db2.gz QOTBBFVVQNSCDB-GFCCVEGCSA-N 1 0 332.404 2.193 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261874488 244711767 /nfs/dbraw/zinc/71/17/67/244711767.db2.gz YGVRTMCMWBZIQM-CXAGYDPISA-N 1 0 347.415 2.340 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1SC ZINC000262723957 245147556 /nfs/dbraw/zinc/14/75/56/245147556.db2.gz GNGHHLUOMDVFGJ-GXSJLCMTSA-N 1 0 339.417 2.053 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000078575942 217079858 /nfs/dbraw/zinc/07/98/58/217079858.db2.gz KZNROEROURTVDA-GFCCVEGCSA-N 1 0 336.392 2.087 20 5 EEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491532559 246063462 /nfs/dbraw/zinc/06/34/62/246063462.db2.gz LNDXDIKAWOFPJV-ZBTGYSDGSA-N 1 0 347.415 2.177 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000493819398 246819333 /nfs/dbraw/zinc/81/93/33/246819333.db2.gz JRDJWYYWUMITGN-MAVJXHJTSA-N 1 0 333.363 2.349 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](C4CCC4)CC3)o2)cc1 ZINC000264958914 247086753 /nfs/dbraw/zinc/08/67/53/247086753.db2.gz FNQGCVLLSPSDAA-UHFFFAOYSA-N 1 0 343.387 2.315 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000265067043 247175382 /nfs/dbraw/zinc/17/53/82/247175382.db2.gz OGNWCKMGKWWCPW-CYBMUJFWSA-N 1 0 334.372 2.379 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266367552 248267689 /nfs/dbraw/zinc/26/76/89/248267689.db2.gz LHYXVDSHEAFWAA-ZDUSSCGKSA-N 1 0 334.376 2.082 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270497422 256141471 /nfs/dbraw/zinc/14/14/71/256141471.db2.gz JXWBTEDZZWRKRQ-XJKSGUPXSA-N 1 0 334.420 2.119 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273421646 256295076 /nfs/dbraw/zinc/29/50/76/256295076.db2.gz YYSLCBVGTGGYBB-CQSZACIVSA-N 1 0 340.420 2.065 20 5 EEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000119194334 221262497 /nfs/dbraw/zinc/26/24/97/221262497.db2.gz UMGFMDZZDXWBHF-CQSZACIVSA-N 1 0 331.376 2.107 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccnc1 ZINC000132282085 533224459 /nfs/dbraw/zinc/22/44/59/533224459.db2.gz YFZLSCNBRMLYAX-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO COc1cccc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000192568096 533396460 /nfs/dbraw/zinc/39/64/60/533396460.db2.gz UYUHGEOQVSDCSL-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000076925540 292187201 /nfs/dbraw/zinc/18/72/01/292187201.db2.gz YMHXRXCPDWZOMQ-INIZCTEOSA-N 1 0 332.404 2.239 20 5 EEBDRO CCCCNC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000116273146 152046395 /nfs/dbraw/zinc/04/63/95/152046395.db2.gz DDXKBQDSZJICCL-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO CCC[C@@](C)([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262696054 152307707 /nfs/dbraw/zinc/30/77/07/152307707.db2.gz DJSYZFWBHHDDCF-QGZVFWFLSA-N 1 0 335.404 2.482 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000352226155 153012893 /nfs/dbraw/zinc/01/28/93/153012893.db2.gz RWVPNMCDAIGBIU-GFCCVEGCSA-N 1 0 343.330 2.266 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000368482467 153811582 /nfs/dbraw/zinc/81/15/82/153811582.db2.gz NESHZGAGUSZDNP-CORIIIEPSA-N 1 0 337.807 2.377 20 5 EEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128028784 292334448 /nfs/dbraw/zinc/33/44/48/292334448.db2.gz ZOLDCXNQGJKHOJ-UHFFFAOYSA-N 1 0 343.387 2.485 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107601386 159332825 /nfs/dbraw/zinc/33/28/25/159332825.db2.gz UQAKNAAXAILPBD-AWEZNQCLSA-N 1 0 332.404 2.094 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000194655694 160197806 /nfs/dbraw/zinc/19/78/06/160197806.db2.gz AZLYGVBKVPOPOU-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000245397115 160231716 /nfs/dbraw/zinc/23/17/16/160231716.db2.gz NXWYDAYZAWNHKD-HUUCEWRRSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000246138075 160263678 /nfs/dbraw/zinc/26/36/78/160263678.db2.gz DMMNEQLJZINYNA-HUUCEWRRSA-N 1 0 348.447 2.268 20 5 EEBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246242786 160270124 /nfs/dbraw/zinc/27/01/24/160270124.db2.gz IAQGNXMPNZQOBL-NVXWUHKLSA-N 1 0 330.388 2.371 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000341695596 161005949 /nfs/dbraw/zinc/00/59/49/161005949.db2.gz JDMZJTVJOBCSFK-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO O=C(NC[C@H]1CC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342740636 161087090 /nfs/dbraw/zinc/08/70/90/161087090.db2.gz PXMRUNLDQXFJJK-JTQLQIEISA-N 1 0 332.385 2.058 20 5 EEBDRO CC[NH+](CC)CCOCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342844660 161095067 /nfs/dbraw/zinc/09/50/67/161095067.db2.gz WNDGVOHBFSPGGC-UHFFFAOYSA-N 1 0 339.421 2.370 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000343059008 161099281 /nfs/dbraw/zinc/09/92/81/161099281.db2.gz WCJYLSXYKVRPNL-UHFFFAOYSA-N 1 0 330.344 2.183 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000343484020 161140498 /nfs/dbraw/zinc/14/04/98/161140498.db2.gz OFOSILDLYUAQHY-UHFFFAOYSA-N 1 0 330.388 2.104 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000343641299 161153956 /nfs/dbraw/zinc/15/39/56/161153956.db2.gz FLXNVIWGKNMJTO-AWEZNQCLSA-N 1 0 334.420 2.022 20 5 EEBDRO CC[NH+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000344450131 161228778 /nfs/dbraw/zinc/22/87/78/161228778.db2.gz LNXCRNFXZDEALG-ZIAGYGMSSA-N 1 0 335.404 2.223 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346107816 161357785 /nfs/dbraw/zinc/35/77/85/161357785.db2.gz RBZPNXBTIGWOBH-WBMJQRKESA-N 1 0 335.379 2.362 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](F)C[C@@H]3CO)o2)c1 ZINC000346394843 161369078 /nfs/dbraw/zinc/36/90/78/161369078.db2.gz HWZFBZJWXPNUOD-TZMCWYRMSA-N 1 0 335.335 2.197 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352818743 162297928 /nfs/dbraw/zinc/29/79/28/162297928.db2.gz VZCWKPXXEYUWCC-GWCFXTLKSA-N 1 0 339.417 2.273 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352825091 162301577 /nfs/dbraw/zinc/30/15/77/162301577.db2.gz ILUBSRBYNSNABR-SNVBAGLBSA-N 1 0 332.303 2.126 20 5 EEBDRO CSC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000355455462 163195766 /nfs/dbraw/zinc/19/57/66/163195766.db2.gz LKPSYDQVXWTXRE-UHFFFAOYSA-N 1 0 337.445 2.081 20 5 EEBDRO C[NH+](C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000359747861 164164502 /nfs/dbraw/zinc/16/45/02/164164502.db2.gz PFFFCOJIOAHCHT-UHFFFAOYSA-N 1 0 342.812 2.089 20 5 EEBDRO CN(CC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000360594599 164346506 /nfs/dbraw/zinc/34/65/06/164346506.db2.gz BMIFSMMGGCXEJR-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000364659796 165224617 /nfs/dbraw/zinc/22/46/17/165224617.db2.gz PXWMQSSKKKTPCU-VHSXEESVSA-N 1 0 345.446 2.099 20 5 EEBDRO CN(C(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374352747 167023605 /nfs/dbraw/zinc/02/36/05/167023605.db2.gz QDUNGQCOBMGSOH-OAHLLOKOSA-N 1 0 347.415 2.306 20 5 EEBDRO CC(C)[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000375595425 167163089 /nfs/dbraw/zinc/16/30/89/167163089.db2.gz DRVXNDBOVWUOOI-UHFFFAOYSA-N 1 0 339.465 2.046 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000270235492 268807669 /nfs/dbraw/zinc/80/76/69/268807669.db2.gz VUZJCQYNPDLEJZ-GFCCVEGCSA-N 1 0 335.433 2.472 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272674316 269006821 /nfs/dbraw/zinc/00/68/21/269006821.db2.gz UKDWBHQHQZZZDM-NHYWBVRUSA-N 1 0 337.807 2.343 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275630654 269132009 /nfs/dbraw/zinc/13/20/09/269132009.db2.gz JQMNAHPVXSCVRV-OAHLLOKOSA-N 1 0 344.419 2.214 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000277764700 269180594 /nfs/dbraw/zinc/18/05/94/269180594.db2.gz KMONLRGLQAMXSI-OLZOCXBDSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000277912496 269197115 /nfs/dbraw/zinc/19/71/15/269197115.db2.gz GNJUEGTYFNHYTP-LBPRGKRZSA-N 1 0 338.364 2.416 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278249444 269219300 /nfs/dbraw/zinc/21/93/00/269219300.db2.gz MLVMJFJHTPMLNN-WPRPVWTQSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000278365937 269226558 /nfs/dbraw/zinc/22/65/58/269226558.db2.gz BNNYYZIPQPQUFS-OAHLLOKOSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@H]1C[N@H+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278444751 269232143 /nfs/dbraw/zinc/23/21/43/269232143.db2.gz HUQVTIUJJKLVSX-HNNXBMFYSA-N 1 0 349.431 2.145 20 5 EEBDRO Cn1cc([C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000278644333 269238640 /nfs/dbraw/zinc/23/86/40/269238640.db2.gz JFTMUPFBDWDZEB-XQTSXYSPSA-N 1 0 342.399 2.049 20 5 EEBDRO Cc1cc(C(=O)N(C)CCN2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000279399019 269276471 /nfs/dbraw/zinc/27/64/71/269276471.db2.gz VXZJUPHSONMZTI-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000283232998 269538870 /nfs/dbraw/zinc/53/88/70/269538870.db2.gz UHOWJXXXYMGFBX-VHSXEESVSA-N 1 0 328.340 2.420 20 5 EEBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000451558275 274064822 /nfs/dbraw/zinc/06/48/22/274064822.db2.gz FSWVELHISVDECK-APHBMKBZSA-N 1 0 333.388 2.057 20 5 EEBDRO Cc1c(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000272092308 274165074 /nfs/dbraw/zinc/16/50/74/274165074.db2.gz JRECDONLTAMMPR-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274532403 274204424 /nfs/dbraw/zinc/20/44/24/274204424.db2.gz BWFUFCIBQLHMPC-UHFFFAOYSA-N 1 0 327.331 2.239 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917582 274273127 /nfs/dbraw/zinc/27/31/27/274273127.db2.gz ONOHTYQSPBUTLG-INIZCTEOSA-N 1 0 349.431 2.148 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277404455 274290557 /nfs/dbraw/zinc/29/05/57/274290557.db2.gz BNYBNUGARWYVBA-OAHLLOKOSA-N 1 0 333.388 2.107 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285012027 274664844 /nfs/dbraw/zinc/66/48/44/274664844.db2.gz GMSRMSDDOBYVCT-LLVKDONJSA-N 1 0 337.376 2.101 20 5 EEBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285635835 274765926 /nfs/dbraw/zinc/76/59/26/274765926.db2.gz LNFZGSALADIOOS-AWEZNQCLSA-N 1 0 349.387 2.464 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286967790 274922666 /nfs/dbraw/zinc/92/26/66/274922666.db2.gz GCCUGNDTFFGRRE-ZBFHGGJFSA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000287051063 274930369 /nfs/dbraw/zinc/93/03/69/274930369.db2.gz JHMQIPUCFKZBAH-HIFRSBDPSA-N 1 0 332.404 2.092 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cccn3)C2)cc1 ZINC000451542747 275037243 /nfs/dbraw/zinc/03/72/43/275037243.db2.gz ADBQANZBENUFCO-NVXWUHKLSA-N 1 0 330.388 2.032 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288267362 275040795 /nfs/dbraw/zinc/04/07/95/275040795.db2.gz AWYOLGFRKCTDRH-ZDUSSCGKSA-N 1 0 343.449 2.135 20 5 EEBDRO CC(=O)c1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000288543746 275068839 /nfs/dbraw/zinc/06/88/39/275068839.db2.gz VFGVOKDQKLCICU-UHFFFAOYSA-N 1 0 333.388 2.098 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CCCC1 ZINC000289637332 275134724 /nfs/dbraw/zinc/13/47/24/275134724.db2.gz UQZBPDKUXWJZQJ-INIZCTEOSA-N 1 0 335.404 2.373 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000170916501 276153245 /nfs/dbraw/zinc/15/32/45/276153245.db2.gz MZPPCVCSMZRJAC-QGZVFWFLSA-N 1 0 346.431 2.118 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423734550 276381895 /nfs/dbraw/zinc/38/18/95/276381895.db2.gz CZVPKNOSQDOMMZ-SNVBAGLBSA-N 1 0 335.282 2.003 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000179097545 276745973 /nfs/dbraw/zinc/74/59/73/276745973.db2.gz YLDAMVWZFDIUAS-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO CNc1nc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000456016171 277045182 /nfs/dbraw/zinc/04/51/82/277045182.db2.gz HZVGJWLXKWEQEH-GFCCVEGCSA-N 1 0 335.408 2.026 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780330 277243429 /nfs/dbraw/zinc/24/34/29/277243429.db2.gz CDUYXIZUTQCMHF-CABCVRRESA-N 1 0 335.404 2.386 20 5 EEBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000182831747 278117579 /nfs/dbraw/zinc/11/75/79/278117579.db2.gz QJCZRTDVKNLDIJ-GJZGRUSLSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000237661412 288033252 /nfs/dbraw/zinc/03/32/52/288033252.db2.gz JEEFNIFGFNRJHD-CHWSQXEVSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1ccnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000269369492 278985041 /nfs/dbraw/zinc/98/50/41/278985041.db2.gz YFXRNLBFWANWPF-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000123279851 279472342 /nfs/dbraw/zinc/47/23/42/279472342.db2.gz QWRRPYDSYKUFHL-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237631073 279588489 /nfs/dbraw/zinc/58/84/89/279588489.db2.gz RYQNIYWFXYFHAR-VFZGTOFNSA-N 1 0 341.795 2.259 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165842888 280198453 /nfs/dbraw/zinc/19/84/53/280198453.db2.gz KUFMDRBGYWIBQN-RKDXNWHRSA-N 1 0 329.198 2.234 20 5 EEBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376213719 288261355 /nfs/dbraw/zinc/26/13/55/288261355.db2.gz YVXUXDSUSMDBPM-UKRRQHHQSA-N 1 0 336.411 2.196 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000294890241 293572219 /nfs/dbraw/zinc/57/22/19/293572219.db2.gz QTHXGRILCYZZTC-QAPCUYQASA-N 1 0 347.459 2.352 20 5 EEBDRO C[C@H](CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000295077342 293608497 /nfs/dbraw/zinc/60/84/97/293608497.db2.gz HXBAVZWSVCTJCP-ZDUSSCGKSA-N 1 0 332.404 2.494 20 5 EEBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000295269300 293666605 /nfs/dbraw/zinc/66/66/05/293666605.db2.gz ARCGIRXLKCWUGR-RYUDHWBXSA-N 1 0 331.376 2.489 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCc3cn[nH]c3)CC2)ccc1[N+](=O)[O-] ZINC000297297605 294205481 /nfs/dbraw/zinc/20/54/81/294205481.db2.gz AWVRLNKUNJRRSU-UHFFFAOYSA-N 1 0 345.403 2.081 20 5 EEBDRO NC(=O)c1cccc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000341719167 295187627 /nfs/dbraw/zinc/18/76/27/295187627.db2.gz AQPKMDMZLLUGII-UHFFFAOYSA-N 1 0 332.404 2.006 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491842218 297097295 /nfs/dbraw/zinc/09/72/95/297097295.db2.gz GLFXIYLWWJSOOH-BRDDXIKOSA-N 1 0 333.363 2.442 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000420464673 301859730 /nfs/dbraw/zinc/85/97/30/301859730.db2.gz KJKUGZDYBVASET-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO Cn1ccnc1[C@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423545759 303003695 /nfs/dbraw/zinc/00/36/95/303003695.db2.gz DQOJOGLNZMVBTA-MRXNPFEDSA-N 1 0 329.404 2.149 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348519737 304809205 /nfs/dbraw/zinc/80/92/05/304809205.db2.gz FTRXESYJJLTTFE-WZRBSPASSA-N 1 0 346.330 2.084 20 5 EEBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308648280 311582526 /nfs/dbraw/zinc/58/25/26/311582526.db2.gz QDWZYGZJYDJRQY-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332040800 311940407 /nfs/dbraw/zinc/94/04/07/311940407.db2.gz KTCLHGSHZKCMKT-CVEARBPZSA-N 1 0 349.435 2.123 20 5 EEBDRO CC(=O)N1CCC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332040803 311940503 /nfs/dbraw/zinc/94/05/03/311940503.db2.gz KTCLHGSHZKCMKT-JKSUJKDBSA-N 1 0 349.435 2.123 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332419738 312004682 /nfs/dbraw/zinc/00/46/82/312004682.db2.gz PUNMJSUXDNVTOM-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)o2)c1 ZINC000414559657 313041705 /nfs/dbraw/zinc/04/17/05/313041705.db2.gz PEKHBMUXXYOIIQ-BBRMVZONSA-N 1 0 332.356 2.030 20 5 EEBDRO Cn1cc(CN2CC[NH2+]C[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414765318 313080854 /nfs/dbraw/zinc/08/08/54/313080854.db2.gz BSICFBYDNVASHH-QGZVFWFLSA-N 1 0 347.394 2.129 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000415762278 313180955 /nfs/dbraw/zinc/18/09/55/313180955.db2.gz MPNAYTKEZJSUEI-INIZCTEOSA-N 1 0 336.392 2.047 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417235968 313459631 /nfs/dbraw/zinc/45/96/31/313459631.db2.gz SIKMPBCETNFKEX-KRWDZBQOSA-N 1 0 346.431 2.311 20 5 EEBDRO O=C(NCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000417348348 313491627 /nfs/dbraw/zinc/49/16/27/313491627.db2.gz YCKJUAHKGAVYOJ-HNNXBMFYSA-N 1 0 343.387 2.105 20 5 EEBDRO [NH3+]C1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417721978 313576469 /nfs/dbraw/zinc/57/64/69/313576469.db2.gz UZUPNCUCYUYATQ-UHFFFAOYSA-N 1 0 334.420 2.487 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420957499 314009619 /nfs/dbraw/zinc/00/96/19/314009619.db2.gz ZPMGXTGFLMZKIR-LLVKDONJSA-N 1 0 333.310 2.421 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421019266 314027672 /nfs/dbraw/zinc/02/76/72/314027672.db2.gz PIUSHAANKWFVQX-KGLIPLIRSA-N 1 0 335.404 2.406 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000430200593 314503605 /nfs/dbraw/zinc/50/36/05/314503605.db2.gz ANTHPYHEJVAABO-LBPRGKRZSA-N 1 0 335.404 2.340 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000444876659 315330925 /nfs/dbraw/zinc/33/09/25/315330925.db2.gz UKKWHQVWIANUNZ-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000449098093 315416469 /nfs/dbraw/zinc/41/64/69/315416469.db2.gz HHPLKFBWBRWJDN-OAHLLOKOSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000449206674 315432665 /nfs/dbraw/zinc/43/26/65/315432665.db2.gz AXFYZEVCOYJOSQ-CYBMUJFWSA-N 1 0 340.445 2.330 20 5 EEBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000515637770 316509433 /nfs/dbraw/zinc/50/94/33/316509433.db2.gz WHJZOZFCLMVHCJ-KRWDZBQOSA-N 1 0 344.367 2.327 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000517558143 316674440 /nfs/dbraw/zinc/67/44/40/316674440.db2.gz AVAMNKMQNDZXCP-OCCSQVGLSA-N 1 0 348.330 2.197 20 5 EEBDRO CCc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000519646532 316805938 /nfs/dbraw/zinc/80/59/38/316805938.db2.gz BIJHRQOKARUVHD-AWEZNQCLSA-N 1 0 343.449 2.151 20 5 EEBDRO CCn1cc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000525271584 317052530 /nfs/dbraw/zinc/05/25/30/317052530.db2.gz MBZLATMEFROSIV-UHFFFAOYSA-N 1 0 334.376 2.331 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000527044942 317145578 /nfs/dbraw/zinc/14/55/78/317145578.db2.gz TXWSMXYMIJUWLZ-GFCCVEGCSA-N 1 0 341.433 2.141 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000547413004 318286159 /nfs/dbraw/zinc/28/61/59/318286159.db2.gz GVZOXJAINISJPA-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccccc1 ZINC000560276830 318770061 /nfs/dbraw/zinc/77/00/61/318770061.db2.gz JATKWSRFAGAGFK-AWEZNQCLSA-N 1 0 332.356 2.003 20 5 EEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000570671896 319686426 /nfs/dbraw/zinc/68/64/26/319686426.db2.gz XKOMJBJOOTWZGW-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574191406 320004145 /nfs/dbraw/zinc/00/41/45/320004145.db2.gz DKOVZLWZJPHZEJ-IAQYHMDHSA-N 1 0 349.387 2.160 20 5 EEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000576254374 320155970 /nfs/dbraw/zinc/15/59/70/320155970.db2.gz JJSMUSCWQHTLQS-BXUZGUMPSA-N 1 0 331.376 2.048 20 5 EEBDRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577506670 320259946 /nfs/dbraw/zinc/25/99/46/320259946.db2.gz CZWMACSKAMRBLA-MRXNPFEDSA-N 1 0 341.367 2.236 20 5 EEBDRO COc1ccc(CC(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000580817928 324133302 /nfs/dbraw/zinc/13/33/02/324133302.db2.gz BIEKLUGKJJEYCD-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)CC1 ZINC000490008352 447885133 /nfs/dbraw/zinc/88/51/33/447885133.db2.gz QAAGAHVSNBIONV-UHFFFAOYSA-N 1 0 347.350 2.449 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000609849823 450105490 /nfs/dbraw/zinc/10/54/90/450105490.db2.gz MYKYSNVMLSOOQK-STQMWFEESA-N 1 0 345.403 2.449 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000336813230 465048520 /nfs/dbraw/zinc/04/85/20/465048520.db2.gz UAJMKBXUSVPFCH-MRVPVSSYSA-N 1 0 330.182 2.215 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000296069292 465070664 /nfs/dbraw/zinc/07/06/64/465070664.db2.gz PKHNYTRHYKCLFF-SSKCKEOISA-N 1 0 347.415 2.133 20 5 EEBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000336878754 465073150 /nfs/dbraw/zinc/07/31/50/465073150.db2.gz IKFWIFRIDPZMBI-AWEZNQCLSA-N 1 0 349.412 2.353 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000358362391 465080144 /nfs/dbraw/zinc/08/01/44/465080144.db2.gz CSCDCEBPWMTHMY-ZANVPECISA-N 1 0 349.309 2.215 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296161980 465100480 /nfs/dbraw/zinc/10/04/80/465100480.db2.gz SUOWHRKGKPFZDR-GFCCVEGCSA-N 1 0 331.376 2.125 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000351494979 465183824 /nfs/dbraw/zinc/18/38/24/465183824.db2.gz PDFNMQVPCPLOOK-DOTOQJQBSA-N 1 0 335.404 2.373 20 5 EEBDRO C[C@@H](c1cnn(C)c1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337329542 465309217 /nfs/dbraw/zinc/30/92/17/465309217.db2.gz ZSJSFAKQRMDRKP-LBPRGKRZSA-N 1 0 331.376 2.350 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000337411471 465352979 /nfs/dbraw/zinc/35/29/79/465352979.db2.gz NQUTWKYPFQIFJJ-WCQYABFASA-N 1 0 343.330 2.334 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154270649 462748581 /nfs/dbraw/zinc/74/85/81/462748581.db2.gz UDWBSBNVZLOMTD-NWDGAFQWSA-N 1 0 344.433 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000154342073 462756567 /nfs/dbraw/zinc/75/65/67/462756567.db2.gz GKZZVHVYYXDBBW-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000047416176 462779643 /nfs/dbraw/zinc/77/96/43/462779643.db2.gz FAEZIQGWNQMQQN-GASCZTMLSA-N 1 0 349.431 2.458 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048267654 462883331 /nfs/dbraw/zinc/88/33/31/462883331.db2.gz QALOXYGYEGJDRA-CHWSQXEVSA-N 1 0 334.420 2.396 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000091482697 462883790 /nfs/dbraw/zinc/88/37/90/462883790.db2.gz UEHOGBOLVOKDOE-GFCCVEGCSA-N 1 0 332.404 2.241 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[N@H+](C)C1 ZINC000156098342 462979762 /nfs/dbraw/zinc/97/97/62/462979762.db2.gz QGFIGHGHLYAKTA-LBPRGKRZSA-N 1 0 328.372 2.309 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000095945502 463111863 /nfs/dbraw/zinc/11/18/63/463111863.db2.gz DOACVOGFEZOXMA-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000052844730 463112109 /nfs/dbraw/zinc/11/21/09/463112109.db2.gz RPXQPDSZGKGVNF-UHFFFAOYSA-N 1 0 346.431 2.119 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+](C)C)cc1OC ZINC000052951970 463120468 /nfs/dbraw/zinc/12/04/68/463120468.db2.gz PNIIIRXXOZNWFP-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO CCC[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467764 463140232 /nfs/dbraw/zinc/14/02/32/463140232.db2.gz NAXJKXRKNOJEQA-UHFFFAOYSA-N 1 0 330.388 2.104 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000069138239 463211470 /nfs/dbraw/zinc/21/14/70/463211470.db2.gz PRIFNJPQMVUKEH-ZDUSSCGKSA-N 1 0 335.404 2.455 20 5 EEBDRO CN(CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080118342 463285065 /nfs/dbraw/zinc/28/50/65/463285065.db2.gz KHTGSFCZOBLRSK-HNNXBMFYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160230503 463324438 /nfs/dbraw/zinc/32/44/38/463324438.db2.gz OBMAHKAIIBXHKU-UHFFFAOYSA-N 1 0 349.435 2.247 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000080537929 463329701 /nfs/dbraw/zinc/32/97/01/463329701.db2.gz HXKHSJNQNJLAJS-UHFFFAOYSA-N 1 0 328.372 2.463 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c1C ZINC000123799946 463370184 /nfs/dbraw/zinc/37/01/84/463370184.db2.gz IQFGYMMVFOXSBS-CQSZACIVSA-N 1 0 349.412 2.190 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104529099 463416531 /nfs/dbraw/zinc/41/65/31/463416531.db2.gz HPPRELLKWBIIGM-UHFFFAOYSA-N 1 0 333.392 2.131 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150882167 463446004 /nfs/dbraw/zinc/44/60/04/463446004.db2.gz PHQWZSWEKQIHAG-CQSZACIVSA-N 1 0 346.431 2.409 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151139486 463483356 /nfs/dbraw/zinc/48/33/56/463483356.db2.gz MHSRILMXVOGGOZ-AEAUEXCSSA-N 1 0 333.388 2.469 20 5 EEBDRO Cc1c(Br)c(N2C[C@@H](C)[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000165694790 463646516 /nfs/dbraw/zinc/64/65/16/463646516.db2.gz OURTUZZYOQIBLD-OCAPTIKFSA-N 1 0 329.198 2.247 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000059893805 463646590 /nfs/dbraw/zinc/64/65/90/463646590.db2.gz BNELZIGJBSDVGX-GFCCVEGCSA-N 1 0 341.433 2.141 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111294109 463674923 /nfs/dbraw/zinc/67/49/23/463674923.db2.gz HWYPVYUEOXXUAT-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111294110 463676144 /nfs/dbraw/zinc/67/61/44/463676144.db2.gz HWYPVYUEOXXUAT-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000127348176 463697314 /nfs/dbraw/zinc/69/73/14/463697314.db2.gz GCDYKCDHUNIFHK-YJBOKZPZSA-N 1 0 346.475 2.141 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCC2)c1 ZINC000579549820 468372723 /nfs/dbraw/zinc/37/27/23/468372723.db2.gz OAPSFSBFVPSKIW-KRWDZBQOSA-N 1 0 344.415 2.254 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177532955 463729017 /nfs/dbraw/zinc/72/90/17/463729017.db2.gz COGJSGXWMHJWJJ-UHFFFAOYSA-N 1 0 332.307 2.222 20 5 EEBDRO COC(=O)CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000269111652 463877645 /nfs/dbraw/zinc/87/76/45/463877645.db2.gz XDOOSACVGCCPBZ-UHFFFAOYSA-N 1 0 346.387 2.247 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269179621 463900691 /nfs/dbraw/zinc/90/06/91/463900691.db2.gz OHZNRCLFGJEZSV-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC(Cn3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000194758229 463924099 /nfs/dbraw/zinc/92/40/99/463924099.db2.gz LOXYRSHVWGEYAK-UHFFFAOYSA-N 1 0 346.347 2.007 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000269409524 463979757 /nfs/dbraw/zinc/97/97/57/463979757.db2.gz VCRAAJOMWOKTFJ-GFCCVEGCSA-N 1 0 337.424 2.293 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000178974545 464029258 /nfs/dbraw/zinc/02/92/58/464029258.db2.gz WYXSGHFSYFZHKR-SNVBAGLBSA-N 1 0 339.417 2.007 20 5 EEBDRO COc1cccc(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000195326085 464041394 /nfs/dbraw/zinc/04/13/94/464041394.db2.gz ZMUVMGZYIGMTQB-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645938 464046199 /nfs/dbraw/zinc/04/61/99/464046199.db2.gz KZNIISJAZHWMSP-DOTOQJQBSA-N 1 0 349.431 2.257 20 5 EEBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269645951 464046421 /nfs/dbraw/zinc/04/64/21/464046421.db2.gz KZNIISJAZHWMSP-WBVHZDCISA-N 1 0 349.431 2.257 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000269865293 464116167 /nfs/dbraw/zinc/11/61/67/464116167.db2.gz XAWWPLVNOKQLOM-KWCYVHTRSA-N 1 0 335.404 2.466 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235501339 464212331 /nfs/dbraw/zinc/21/23/31/464212331.db2.gz XLAFVPYTJZKNQK-IUCAKERBSA-N 1 0 329.198 2.316 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292395687 464218052 /nfs/dbraw/zinc/21/80/52/464218052.db2.gz YJPWRTDWLKDWBI-CHWSQXEVSA-N 1 0 326.418 2.331 20 5 EEBDRO CC1CCN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236729552 464220571 /nfs/dbraw/zinc/22/05/71/464220571.db2.gz QIJYDEXPWFTYGZ-UHFFFAOYSA-N 1 0 334.420 2.298 20 5 EEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000236864705 464231125 /nfs/dbraw/zinc/23/11/25/464231125.db2.gz IESUAGIFUGVPIK-ZDUSSCGKSA-N 1 0 334.420 2.442 20 5 EEBDRO CN(CC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000237059470 464258321 /nfs/dbraw/zinc/25/83/21/464258321.db2.gz ALNWDFLBVTYJSI-UHFFFAOYSA-N 1 0 348.447 2.460 20 5 EEBDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173450872 464263711 /nfs/dbraw/zinc/26/37/11/464263711.db2.gz UTOBGAOFLWPOEV-LBPRGKRZSA-N 1 0 329.356 2.310 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1SC ZINC000237121631 464268173 /nfs/dbraw/zinc/26/81/73/464268173.db2.gz JVGOVBFFSYERCR-SNVBAGLBSA-N 1 0 339.417 2.055 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180533609 464331534 /nfs/dbraw/zinc/33/15/34/464331534.db2.gz SNBQKEGNRFUEPM-BETUJISGSA-N 1 0 349.435 2.060 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264582429 464383029 /nfs/dbraw/zinc/38/30/29/464383029.db2.gz JVVNHCJYENREDT-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000238059715 464426043 /nfs/dbraw/zinc/42/60/43/464426043.db2.gz JSNYSKXJXCNWLV-NSHDSACASA-N 1 0 341.795 2.214 20 5 EEBDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146920 464496307 /nfs/dbraw/zinc/49/63/07/464496307.db2.gz WLGGWWJQKUTWIQ-CXAGYDPISA-N 1 0 347.415 2.415 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000175553728 464572940 /nfs/dbraw/zinc/57/29/40/464572940.db2.gz OVYBCFLFPLVTBY-JSGCOSHPSA-N 1 0 332.404 2.361 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971452 464575048 /nfs/dbraw/zinc/57/50/48/464575048.db2.gz NTMNHHZOYFBRQN-WBVHZDCISA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000182226351 464604230 /nfs/dbraw/zinc/60/42/30/464604230.db2.gz YXCRVSVGMPQCEP-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246689416 464612235 /nfs/dbraw/zinc/61/22/35/464612235.db2.gz IJFKKTAAPXNTSJ-KBXCAEBGSA-N 1 0 344.415 2.453 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272540833 464652419 /nfs/dbraw/zinc/65/24/19/464652419.db2.gz BYOMHADDWNGOEY-IUODEOHRSA-N 1 0 335.429 2.240 20 5 EEBDRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000247302737 464666323 /nfs/dbraw/zinc/66/63/23/464666323.db2.gz FMGRRUQZLBBBQX-UHFFFAOYSA-N 1 0 336.348 2.109 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccn1 ZINC000295247296 464760178 /nfs/dbraw/zinc/76/01/78/464760178.db2.gz YVSBJCZYBMBRDY-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO CCOC(=O)c1ccnc(N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1[N+](=O)[O-] ZINC000176729442 464835526 /nfs/dbraw/zinc/83/55/26/464835526.db2.gz DALRRRHFUOGIGQ-OLZOCXBDSA-N 1 0 348.403 2.230 20 5 EEBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000276379374 464910224 /nfs/dbraw/zinc/91/02/24/464910224.db2.gz GBRKYWXPURHGNI-UHFFFAOYSA-N 1 0 338.408 2.254 20 5 EEBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCOCC2)s1 ZINC000192459130 464929304 /nfs/dbraw/zinc/92/93/04/464929304.db2.gz AXCHQYHSXMKSCB-UHFFFAOYSA-N 1 0 326.422 2.498 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348158797 465456519 /nfs/dbraw/zinc/45/65/19/465456519.db2.gz IGFUKMNGMDNHNR-OCCSQVGLSA-N 1 0 349.387 2.034 20 5 EEBDRO Cc1nc(NCC2([NH+](C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000348351862 465563433 /nfs/dbraw/zinc/56/34/33/465563433.db2.gz MKTCRLHDAARBAT-UHFFFAOYSA-N 1 0 326.400 2.809 20 5 EEBDRO C[C@@]1(O)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000348381883 465574929 /nfs/dbraw/zinc/57/49/29/465574929.db2.gz WTJNKUYNOFPBMJ-QGZVFWFLSA-N 1 0 349.387 2.130 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000356870068 465589450 /nfs/dbraw/zinc/58/94/50/465589450.db2.gz CXIHTJGAAKBKPL-QWHCGFSZSA-N 1 0 330.388 2.101 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330560904 465706391 /nfs/dbraw/zinc/70/63/91/465706391.db2.gz HZIRLNWXWSAOPO-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000344614870 465723769 /nfs/dbraw/zinc/72/37/69/465723769.db2.gz GFSULNSLPNJUBS-UHFFFAOYSA-N 1 0 335.404 2.130 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371349666 465734522 /nfs/dbraw/zinc/73/45/22/465734522.db2.gz LCLUPJQNMGKYAP-BBRMVZONSA-N 1 0 336.411 2.196 20 5 EEBDRO COc1ccc(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000330678199 465757785 /nfs/dbraw/zinc/75/77/85/465757785.db2.gz WCZSHQGYWBFTSH-ZFWWWQNUSA-N 1 0 325.434 2.081 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000340101743 465767314 /nfs/dbraw/zinc/76/73/14/465767314.db2.gz AGSAILDOXNHKFN-KGLIPLIRSA-N 1 0 334.420 2.196 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000331028342 465903198 /nfs/dbraw/zinc/90/31/98/465903198.db2.gz CZRCEWBYVCVGMU-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1ccc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000338287275 465986478 /nfs/dbraw/zinc/98/64/78/465986478.db2.gz ZMJNQJCOJQSRJP-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNc1cnccn1 ZINC000349245161 466034041 /nfs/dbraw/zinc/03/40/41/466034041.db2.gz FWZLELSQDJRVGT-ZDUSSCGKSA-N 1 0 347.444 2.957 20 5 EEBDRO COc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301925728 466061550 /nfs/dbraw/zinc/06/15/50/466061550.db2.gz LHUACUVPHDILKO-LBPRGKRZSA-N 1 0 341.383 2.247 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422194 466078172 /nfs/dbraw/zinc/07/81/72/466078172.db2.gz UNRMNWZYLLCSKS-VFZGTOFNSA-N 1 0 339.342 2.014 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000340506295 466138029 /nfs/dbraw/zinc/13/80/29/466138029.db2.gz JNAHEVXNNDMYLM-MJBXVCDLSA-N 1 0 334.420 2.411 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1[NH+](C)C ZINC000331614032 466163685 /nfs/dbraw/zinc/16/36/85/466163685.db2.gz PMFLZYQQGSLDPH-HUUCEWRRSA-N 1 0 348.428 2.194 20 5 EEBDRO COC(=O)c1cnc(N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302753304 466180067 /nfs/dbraw/zinc/18/00/67/466180067.db2.gz HVMXIEZKRDBTKC-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353846889 466196870 /nfs/dbraw/zinc/19/68/70/466196870.db2.gz CAFGWCXHMQMNKT-UHFFFAOYSA-N 1 0 326.356 2.254 20 5 EEBDRO O=C([C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331696109 466201290 /nfs/dbraw/zinc/20/12/90/466201290.db2.gz VLWYAAMUOGCUHU-INIZCTEOSA-N 1 0 331.416 2.472 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000349797496 466243820 /nfs/dbraw/zinc/24/38/20/466243820.db2.gz GAOBMEWNKFGVMM-JTQLQIEISA-N 1 0 349.840 2.255 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000363150133 466248498 /nfs/dbraw/zinc/24/84/98/466248498.db2.gz MAAORVPONLEBNF-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000338607525 466255768 /nfs/dbraw/zinc/25/57/68/466255768.db2.gz ORAKWUHARRYXIG-INIZCTEOSA-N 1 0 335.404 2.406 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000372327744 466304946 /nfs/dbraw/zinc/30/49/46/466304946.db2.gz XYQMJRXIHUAPQO-CHWSQXEVSA-N 1 0 340.383 2.500 20 5 EEBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@]1(CO)CCOC1 ZINC000600178243 468485728 /nfs/dbraw/zinc/48/57/28/468485728.db2.gz ITNDIPVNPVMXBG-QGZVFWFLSA-N 1 0 332.356 2.438 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578261 468486310 /nfs/dbraw/zinc/48/63/10/468486310.db2.gz HVOUMQJVLWXTRC-ZBFHGGJFSA-N 1 0 329.404 2.149 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000305204215 466377804 /nfs/dbraw/zinc/37/78/04/466377804.db2.gz XFWREHRFUGJWFE-SJORKVTESA-N 1 0 329.356 2.177 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354223118 466393044 /nfs/dbraw/zinc/39/30/44/466393044.db2.gz NFTBRFOCUQEPTF-UONOGXRCSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(CO)CC1 ZINC000361980571 466456745 /nfs/dbraw/zinc/45/67/45/466456745.db2.gz LDIHIEDWPBTKTG-HSBZDZAISA-N 1 0 335.404 2.453 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363798829 466622553 /nfs/dbraw/zinc/62/25/53/466622553.db2.gz DJORWKOXYOYAGA-UONOGXRCSA-N 1 0 348.403 2.196 20 5 EEBDRO [NH3+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000415432861 466677323 /nfs/dbraw/zinc/67/73/23/466677323.db2.gz GIKAGXYRBQNZFU-SNVBAGLBSA-N 1 0 332.282 2.472 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373228834 466735558 /nfs/dbraw/zinc/73/55/58/466735558.db2.gz JGAQXSXMTHMLHM-QGZVFWFLSA-N 1 0 333.388 2.079 20 5 EEBDRO COC[C@]1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]1 ZINC000423412838 466743219 /nfs/dbraw/zinc/74/32/19/466743219.db2.gz IUIHIHFNDLJFQF-SJLPKXTDSA-N 1 0 333.432 2.274 20 5 EEBDRO O=C(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)NCC(F)F ZINC000417335998 466836137 /nfs/dbraw/zinc/83/61/37/466836137.db2.gz UOTCPWNVEANVCZ-ZDUSSCGKSA-N 1 0 327.331 2.333 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000424030211 466957737 /nfs/dbraw/zinc/95/77/37/466957737.db2.gz FFAKRBKAVRPVFH-KRWDZBQOSA-N 1 0 331.416 2.374 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418765297 467157094 /nfs/dbraw/zinc/15/70/94/467157094.db2.gz LOSVKHTYGXVPJH-OCCSQVGLSA-N 1 0 332.404 2.396 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413147827 467179021 /nfs/dbraw/zinc/17/90/21/467179021.db2.gz WMCWADOSNOZERA-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000419380853 467194911 /nfs/dbraw/zinc/19/49/11/467194911.db2.gz XSWDVAQVYAZMER-HNNXBMFYSA-N 1 0 335.429 2.411 20 5 EEBDRO CN(C)CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413303032 467211551 /nfs/dbraw/zinc/21/15/51/467211551.db2.gz PSMMLSCUSGYJOK-UHFFFAOYSA-N 1 0 349.357 2.304 20 5 EEBDRO C[N@H+](C[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549660 467259060 /nfs/dbraw/zinc/25/90/60/467259060.db2.gz PZCDFVLAEGNPDA-QAPCUYQASA-N 1 0 333.432 2.229 20 5 EEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000428896001 467279521 /nfs/dbraw/zinc/27/95/21/467279521.db2.gz RPIDNAHHVIUWGS-CQSZACIVSA-N 1 0 330.388 2.487 20 5 EEBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451976548 467292851 /nfs/dbraw/zinc/29/28/51/467292851.db2.gz YORXCMMQYZHUNR-DOTOQJQBSA-N 1 0 348.378 2.437 20 5 EEBDRO O=C(CC[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429228094 467314186 /nfs/dbraw/zinc/31/41/86/467314186.db2.gz QRWYVCBPORQKOF-AWEZNQCLSA-N 1 0 341.367 2.386 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452098585 467322463 /nfs/dbraw/zinc/32/24/63/467322463.db2.gz UQOXKCLQADHRQF-CYBMUJFWSA-N 1 0 341.433 2.006 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327032 467358496 /nfs/dbraw/zinc/35/84/96/467358496.db2.gz COOXRWCTLQNYMC-JSGCOSHPSA-N 1 0 334.420 2.291 20 5 EEBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000433930627 467364429 /nfs/dbraw/zinc/36/44/29/467364429.db2.gz LCWGXGDHRYYJFA-JKSUJKDBSA-N 1 0 334.351 2.477 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420336365 467364965 /nfs/dbraw/zinc/36/49/65/467364965.db2.gz MDIGEKOMAMKTMW-SWLSCSKDSA-N 1 0 334.420 2.291 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420358685 467377057 /nfs/dbraw/zinc/37/70/57/467377057.db2.gz IXQDAUJAZFENOR-GFCCVEGCSA-N 1 0 328.800 2.150 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420375319 467384432 /nfs/dbraw/zinc/38/44/32/467384432.db2.gz IVTYSHDQQXAUEN-MNOVXSKESA-N 1 0 340.811 2.103 20 5 EEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000420384223 467388795 /nfs/dbraw/zinc/38/87/95/467388795.db2.gz GEWHNGMFDCSPJL-DYVFJYSZSA-N 1 0 337.395 2.452 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000434426328 467397879 /nfs/dbraw/zinc/39/78/79/467397879.db2.gz VBDZSYPHDZHVSO-AWEZNQCLSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420438823 467408800 /nfs/dbraw/zinc/40/88/00/467408800.db2.gz FRBINGOESLPFTA-JTQLQIEISA-N 1 0 347.824 2.059 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420461825 467415366 /nfs/dbraw/zinc/41/53/66/467415366.db2.gz GYOPIRRTKGHASI-STQMWFEESA-N 1 0 341.433 2.007 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000437933792 467558111 /nfs/dbraw/zinc/55/81/11/467558111.db2.gz AOQMLYPPRXSVRQ-RRQGHBQHSA-N 1 0 347.415 2.227 20 5 EEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448980857 467610421 /nfs/dbraw/zinc/61/04/21/467610421.db2.gz QUNYNCIQZNTPGG-LBPRGKRZSA-N 1 0 343.387 2.151 20 5 EEBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456265 467647825 /nfs/dbraw/zinc/64/78/25/467647825.db2.gz MFWJFMCHFRTNNE-IINYFYTJSA-N 1 0 346.330 2.337 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449566787 467663142 /nfs/dbraw/zinc/66/31/42/467663142.db2.gz PRJJLIDWONSHDU-VIFPVBQESA-N 1 0 349.309 2.393 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449715654 467698046 /nfs/dbraw/zinc/69/80/46/467698046.db2.gz BOXZFFLVLFMQAK-JTQLQIEISA-N 1 0 337.323 2.083 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493062165 467831540 /nfs/dbraw/zinc/83/15/40/467831540.db2.gz ZMTJHQQWTXZYFP-FUBINZNWSA-N 1 0 333.363 2.333 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450351790 467833762 /nfs/dbraw/zinc/83/37/62/467833762.db2.gz ABSIFOOKRVNYAR-NWDGAFQWSA-N 1 0 330.388 2.468 20 5 EEBDRO O=C(CC[NH2+]CCOc1ncccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000515166273 467976470 /nfs/dbraw/zinc/97/64/70/467976470.db2.gz HRLSPCUIUVNWAZ-UHFFFAOYSA-N 1 0 348.334 2.126 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CO2 ZINC000515348235 467986872 /nfs/dbraw/zinc/98/68/72/467986872.db2.gz XISSKCPZTDSCPP-HIFRSBDPSA-N 1 0 344.367 2.366 20 5 EEBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000493908440 468003944 /nfs/dbraw/zinc/00/39/44/468003944.db2.gz RKBQRRFPNKQBLO-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494251983 468039973 /nfs/dbraw/zinc/03/99/73/468039973.db2.gz UUPBNVCMRUQNOI-BZNIZROVSA-N 1 0 337.376 2.089 20 5 EEBDRO C[C@@H](CO)[N@@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487764629 468052808 /nfs/dbraw/zinc/05/28/08/468052808.db2.gz YRPXRIHJZYIGPC-ZDUSSCGKSA-N 1 0 330.388 2.036 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000591729067 468511701 /nfs/dbraw/zinc/51/17/01/468511701.db2.gz FZHDSNPAJCYREK-ZBFHGGJFSA-N 1 0 328.368 2.264 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594227250 468519761 /nfs/dbraw/zinc/51/97/61/468519761.db2.gz VGFLODBGQNWMBB-CVEARBPZSA-N 1 0 332.404 2.411 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000570241040 468609605 /nfs/dbraw/zinc/60/96/05/468609605.db2.gz HBFCCGKSYXABBJ-HNNXBMFYSA-N 1 0 346.383 2.175 20 5 EEBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCCC1 ZINC000583144150 468651599 /nfs/dbraw/zinc/65/15/99/468651599.db2.gz RMGGTDBLQICYHA-UHFFFAOYSA-N 1 0 332.316 2.144 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255520 468665992 /nfs/dbraw/zinc/66/59/92/468665992.db2.gz QQJMOHRUADHJJJ-CVEARBPZSA-N 1 0 331.416 2.376 20 5 EEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC000600826612 468667040 /nfs/dbraw/zinc/66/70/40/468667040.db2.gz QIFGVKAWRFXEIW-UHFFFAOYSA-N 1 0 331.294 2.486 20 5 EEBDRO Cn1ccnc1[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583495790 468706152 /nfs/dbraw/zinc/70/61/52/468706152.db2.gz WMEOFGNTGHIXIM-INIZCTEOSA-N 1 0 343.387 2.398 20 5 EEBDRO COCc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000558752014 468713828 /nfs/dbraw/zinc/71/38/28/468713828.db2.gz BCFIEJFOCYUWFU-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000595011419 468742878 /nfs/dbraw/zinc/74/28/78/468742878.db2.gz DSIQYQQVAYEZMM-TZMCWYRMSA-N 1 0 326.393 2.288 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000595043252 468748528 /nfs/dbraw/zinc/74/85/28/468748528.db2.gz VOQZWXVPPLSEDJ-KBPBESRZSA-N 1 0 337.420 2.101 20 5 EEBDRO C[C@@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000583784028 468754059 /nfs/dbraw/zinc/75/40/59/468754059.db2.gz JMKGZEYSJBRPJD-CQSZACIVSA-N 1 0 343.383 2.416 20 5 EEBDRO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000571375894 468777751 /nfs/dbraw/zinc/77/77/51/468777751.db2.gz RGKRXQKWBMOQDO-KBPBESRZSA-N 1 0 349.366 2.619 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000601221725 468787112 /nfs/dbraw/zinc/78/71/12/468787112.db2.gz QKEZRZMNECSDHU-ZFWWWQNUSA-N 1 0 342.399 2.421 20 5 EEBDRO CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[N@H+](C)C1 ZINC000592832176 468799058 /nfs/dbraw/zinc/79/90/58/468799058.db2.gz SIFGYQNYJXVZGO-INIZCTEOSA-N 1 0 344.415 2.492 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000595295966 468804002 /nfs/dbraw/zinc/80/40/02/468804002.db2.gz IQAPTPWYJYJKOY-MRXNPFEDSA-N 1 0 337.395 2.421 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598260298 468808990 /nfs/dbraw/zinc/80/89/90/468808990.db2.gz ACMUACLJUFELGU-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560525327 468825745 /nfs/dbraw/zinc/82/57/45/468825745.db2.gz LZFITZFJIAQKTH-YOEHRIQHSA-N 1 0 343.431 2.349 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343019 468838114 /nfs/dbraw/zinc/83/81/14/468838114.db2.gz PGVMGFFZVXHJAB-HNNXBMFYSA-N 1 0 334.420 2.387 20 5 EEBDRO CC(C)O[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593053757 468853500 /nfs/dbraw/zinc/85/35/00/468853500.db2.gz LPPLDVXIYYJFAS-LSDHHAIUSA-N 1 0 338.404 2.224 20 5 EEBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593128879 468880750 /nfs/dbraw/zinc/88/07/50/468880750.db2.gz KROROZDAWUJSOD-JKSUJKDBSA-N 1 0 334.372 2.105 20 5 EEBDRO COCC[NH2+]C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000572130130 468890500 /nfs/dbraw/zinc/89/05/00/468890500.db2.gz RHQGVOVWMKKRMU-UHFFFAOYSA-N 1 0 349.431 2.099 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562041 468914224 /nfs/dbraw/zinc/91/42/24/468914224.db2.gz SEANEWCCDHWOIB-HNNXBMFYSA-N 1 0 346.431 2.245 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598652429 468946387 /nfs/dbraw/zinc/94/63/87/468946387.db2.gz YZPZEHXBXIDGLP-JSGCOSHPSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598668609 468951661 /nfs/dbraw/zinc/95/16/61/468951661.db2.gz BJUQEXQWXFJUGX-MKBNYLNASA-N 1 0 335.429 2.415 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C1CCCC1 ZINC000584869212 468952352 /nfs/dbraw/zinc/95/23/52/468952352.db2.gz WOTBCSTYBDZFHE-WBMJQRKESA-N 1 0 335.404 2.453 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000610576901 469007710 /nfs/dbraw/zinc/00/77/10/469007710.db2.gz DLSADEHBBDXTPP-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783301 469071680 /nfs/dbraw/zinc/07/16/80/469071680.db2.gz JCIBHBVCWZURQV-WMZOPIPTSA-N 1 0 344.415 2.408 20 5 EEBDRO CC[C@H](O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602795200 469079866 /nfs/dbraw/zinc/07/98/66/469079866.db2.gz GFSBMJQSFLSWJT-INIZCTEOSA-N 1 0 332.404 2.373 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)s1 ZINC000599010614 469087312 /nfs/dbraw/zinc/08/73/12/469087312.db2.gz SKRJBRBLYNXGCB-CYBMUJFWSA-N 1 0 347.440 2.480 20 5 EEBDRO C[C@@H](CO)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593677273 469091637 /nfs/dbraw/zinc/09/16/37/469091637.db2.gz WOJULVYUBMUHFN-LBPRGKRZSA-N 1 0 336.388 2.206 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595945842 469094549 /nfs/dbraw/zinc/09/45/49/469094549.db2.gz PBOPFFMBNKBXTA-UHFFFAOYSA-N 1 0 330.182 2.167 20 5 EEBDRO COc1ccc(CSCC(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595962064 469098105 /nfs/dbraw/zinc/09/81/05/469098105.db2.gz OOWLNWAMECINEX-UHFFFAOYSA-N 1 0 341.433 2.032 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593728944 469111234 /nfs/dbraw/zinc/11/12/34/469111234.db2.gz AZEMOZKQRIZFMN-XJKSGUPXSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601976118 469123242 /nfs/dbraw/zinc/12/32/42/469123242.db2.gz RRDPFFLUTCFGQX-HSMVNMDESA-N 1 0 335.429 2.334 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086385 469147627 /nfs/dbraw/zinc/14/76/27/469147627.db2.gz YKVJWFLVINDPEX-JHJVBQTASA-N 1 0 334.420 2.472 20 5 EEBDRO Nc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc1[N+](=O)[O-] ZINC000596087628 469148600 /nfs/dbraw/zinc/14/86/00/469148600.db2.gz GAFYWJDPZAQCGC-UHFFFAOYSA-N 1 0 345.378 2.788 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611268471 469214279 /nfs/dbraw/zinc/21/42/79/469214279.db2.gz UBXHQAKWPRUSCZ-XYDITTIYSA-N 1 0 331.416 2.139 20 5 EEBDRO Cc1c(Br)c(N2CC(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000596247582 469220781 /nfs/dbraw/zinc/22/07/81/469220781.db2.gz RHCFSYQIESUPEZ-UHFFFAOYSA-N 1 0 329.198 2.059 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000596249983 469221467 /nfs/dbraw/zinc/22/14/67/469221467.db2.gz DWQODHCTWCNNAG-UHFFFAOYSA-N 1 0 344.415 2.472 20 5 EEBDRO Cc1nn(C)c(N2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596252629 469221732 /nfs/dbraw/zinc/22/17/32/469221732.db2.gz PNBRKFFEIDCKNQ-UHFFFAOYSA-N 1 0 329.404 2.395 20 5 EEBDRO O=C(CC[NH2+][C@H]1c2ccccc2C[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000573966811 469238197 /nfs/dbraw/zinc/23/81/97/469238197.db2.gz LTWJJBIMDDRVBR-AEFFLSMTSA-N 1 0 341.367 2.171 20 5 EEBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1O ZINC000574487524 469275034 /nfs/dbraw/zinc/27/50/34/469275034.db2.gz NCWAJDJWYCMMOE-ROUUACIJSA-N 1 0 335.407 2.135 20 5 EEBDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611554191 469277345 /nfs/dbraw/zinc/27/73/45/469277345.db2.gz HRDONQMJVLTIAA-WDEREUQCSA-N 1 0 333.310 2.419 20 5 EEBDRO CCC[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596652062 469322054 /nfs/dbraw/zinc/32/20/54/469322054.db2.gz FSFJWWVYKMIVMF-AWEZNQCLSA-N 1 0 331.376 2.180 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602507805 469343759 /nfs/dbraw/zinc/34/37/59/469343759.db2.gz KNJRQPNSYGKTFP-CQSZACIVSA-N 1 0 348.403 2.182 20 5 EEBDRO CO[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000611943544 469349386 /nfs/dbraw/zinc/34/93/86/469349386.db2.gz MULSVFSMGUQOTN-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000602542480 469354884 /nfs/dbraw/zinc/35/48/84/469354884.db2.gz YKNLQBPNIRTBGF-AAEUAGOBSA-N 1 0 345.321 2.123 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000616091067 469366094 /nfs/dbraw/zinc/36/60/94/469366094.db2.gz KRLNFCJXDBFNFP-LLVKDONJSA-N 1 0 344.314 2.424 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@H]1CSCC[NH2+]1 ZINC000603418605 469389022 /nfs/dbraw/zinc/38/90/22/469389022.db2.gz HLROQEJKLXNTAL-QMMMGPOBSA-N 1 0 332.223 2.474 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)c(Br)c1 ZINC000603418656 469389299 /nfs/dbraw/zinc/38/92/99/469389299.db2.gz IRFMDQKYBWIMGE-QMMMGPOBSA-N 1 0 332.223 2.474 20 5 EEBDRO Cc1cccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603423948 469391872 /nfs/dbraw/zinc/39/18/72/469391872.db2.gz RURQMTSRCZIYJD-INIZCTEOSA-N 1 0 348.447 2.112 20 5 EEBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000603581592 469413279 /nfs/dbraw/zinc/41/32/79/469413279.db2.gz GSYDPIHJNCAXSL-UHFFFAOYSA-N 1 0 335.404 2.449 20 5 EEBDRO CN(CCC[NH+]1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619612666 469650915 /nfs/dbraw/zinc/65/09/15/469650915.db2.gz YULWXTKCNLTUGS-UHFFFAOYSA-N 1 0 335.404 2.284 20 5 EEBDRO Cn1c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000610296719 470001457 /nfs/dbraw/zinc/00/14/57/470001457.db2.gz ITSJLVYPQYZHEG-HNNXBMFYSA-N 1 0 342.399 2.280 20 5 EEBDRO CC(C)c1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335358 470005227 /nfs/dbraw/zinc/00/52/27/470005227.db2.gz OQIMKVFOGCQLCK-KRWDZBQOSA-N 1 0 332.404 2.108 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000602803572 490687250 /nfs/dbraw/zinc/68/72/50/490687250.db2.gz CTRDRHKFEWVYGF-BGJPBQGDSA-N 1 0 336.417 2.188 20 5 EEBDRO COc1cc(C[NH2+]C[C@](C)(O)c2cccs2)c([N+](=O)[O-])cc1O ZINC000152997384 533883769 /nfs/dbraw/zinc/88/37/69/533883769.db2.gz BXXYQCVHEASHDT-HNNXBMFYSA-N 1 0 338.385 2.368 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181109844 534739268 /nfs/dbraw/zinc/73/92/68/534739268.db2.gz NLMZOHWCEXBYLB-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411767885 527219683 /nfs/dbraw/zinc/21/96/83/527219683.db2.gz CWPSIPBTPXJSSI-MRXNPFEDSA-N 1 0 335.404 2.310 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158418292 528022460 /nfs/dbraw/zinc/02/24/60/528022460.db2.gz HOZXNBMRASGCRH-INIZCTEOSA-N 1 0 348.447 2.414 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000236818784 534938642 /nfs/dbraw/zinc/93/86/42/534938642.db2.gz MLZMYCIWVNTEJR-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236934877 535034888 /nfs/dbraw/zinc/03/48/88/535034888.db2.gz YOXUWTIIXKQKFJ-CYBMUJFWSA-N 1 0 345.403 2.243 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000423570151 535426780 /nfs/dbraw/zinc/42/67/80/535426780.db2.gz NGCHFORRJWNBQP-CQDKDKBSSA-N 1 0 333.388 2.193 20 5 EEBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@H]1O ZINC000426243293 536486776 /nfs/dbraw/zinc/48/67/76/536486776.db2.gz ZUYOUXSCHQXLJI-ZIAGYGMSSA-N 1 0 332.360 2.380 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000733168763 577206440 /nfs/dbraw/zinc/20/64/40/577206440.db2.gz WVJBBFOPXWBKKW-HNNXBMFYSA-N 1 0 334.420 2.485 20 5 EEBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803152 577231157 /nfs/dbraw/zinc/23/11/57/577231157.db2.gz OJTNVLMGMFHDIU-RNCFNFMXSA-N 1 0 341.795 2.326 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCNc2ncccn2)n1 ZINC000774220287 577389738 /nfs/dbraw/zinc/38/97/38/577389738.db2.gz VMIMDKCQAKJVHS-KGLIPLIRSA-N 1 0 345.407 2.157 20 5 EEBDRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273902 577456246 /nfs/dbraw/zinc/45/62/46/577456246.db2.gz DXLLTAPEHJJIBX-QGZVFWFLSA-N 1 0 343.383 2.006 20 5 EEBDRO COCC[N@@H+](Cc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274981 577456287 /nfs/dbraw/zinc/45/62/87/577456287.db2.gz FBIOMIRFVVGPRS-QGZVFWFLSA-N 1 0 331.372 2.172 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582200 577463223 /nfs/dbraw/zinc/46/32/23/577463223.db2.gz MDCGIDFCQOIQPZ-DLBZAZTESA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1nn(CN2CC[NH+](CC3CC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764901997 577490535 /nfs/dbraw/zinc/49/05/35/577490535.db2.gz RUQNKKFAMJQQPM-UHFFFAOYSA-N 1 0 329.404 2.238 20 5 EEBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CCOC ZINC000766427235 577519220 /nfs/dbraw/zinc/51/92/20/577519220.db2.gz FAVOBYBTFVLPHJ-LBPRGKRZSA-N 1 0 349.391 2.068 20 5 EEBDRO COc1ccccc1OCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749646851 577979403 /nfs/dbraw/zinc/97/94/03/577979403.db2.gz MJJJTADHNXHDSX-OAHLLOKOSA-N 1 0 332.356 2.305 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736570052 578212037 /nfs/dbraw/zinc/21/20/37/578212037.db2.gz NBHFZJQNLIWCTK-GFCCVEGCSA-N 1 0 331.380 2.061 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)ccn1C ZINC001020560991 675129956 /nfs/dbraw/zinc/12/99/56/675129956.db2.gz RPVUJJIYLIPYTA-JOCQHMNTSA-N 1 0 348.428 2.354 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC[C@H]3CCCO3)CC2)cc1 ZINC000121216728 676302737 /nfs/dbraw/zinc/30/27/37/676302737.db2.gz FNOSJHUPSUBKCJ-GOSISDBHSA-N 1 0 349.431 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC001021890139 676538083 /nfs/dbraw/zinc/53/80/83/676538083.db2.gz QWNGWCVLKFWSLI-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO CC(C)CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934047168 677768742 /nfs/dbraw/zinc/76/87/42/677768742.db2.gz IXPHSBSRGKOECU-UHFFFAOYSA-N 1 0 335.408 2.124 20 5 EEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179549004 679943621 /nfs/dbraw/zinc/94/36/21/679943621.db2.gz DDOUEPPWEGUNIN-GFCCVEGCSA-N 1 0 332.360 2.238 20 5 EEBDRO Cn1cccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983190313 681974476 /nfs/dbraw/zinc/97/44/76/681974476.db2.gz KKXRCJWFEZAZLZ-SHTZXODSSA-N 1 0 342.399 2.232 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000892756229 682999754 /nfs/dbraw/zinc/99/97/54/682999754.db2.gz XCVSEIMZQCOEKU-SNVBAGLBSA-N 1 0 349.309 2.035 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000894622880 683001684 /nfs/dbraw/zinc/00/16/84/683001684.db2.gz LMKVICSFMVUFJA-KRWDZBQOSA-N 1 0 335.404 2.227 20 5 EEBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[NH+]2CCC1CC2 ZINC000892781013 683037162 /nfs/dbraw/zinc/03/71/62/683037162.db2.gz JXJAGNAWIQYMEQ-MRXNPFEDSA-N 1 0 337.807 2.391 20 5 EEBDRO Cn1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262056451 683096178 /nfs/dbraw/zinc/09/61/78/683096178.db2.gz QSAYJNVEAXOZHG-GOSISDBHSA-N 1 0 341.415 2.181 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000152940955 683594197 /nfs/dbraw/zinc/59/41/97/683594197.db2.gz SXYXWZRSGNXOPW-ZDUSSCGKSA-N 1 0 341.383 2.129 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001059250440 683660925 /nfs/dbraw/zinc/66/09/25/683660925.db2.gz WGRVKRQBQZJEIB-SHTZXODSSA-N 1 0 346.431 2.304 20 5 EEBDRO Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001059272257 683867443 /nfs/dbraw/zinc/86/74/43/683867443.db2.gz SYHQDKOQMVEAON-JOCQHMNTSA-N 1 0 343.387 2.237 20 5 EEBDRO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001059280041 683928820 /nfs/dbraw/zinc/92/88/20/683928820.db2.gz KSEYAKMPSUQWRF-SHTZXODSSA-N 1 0 346.431 2.386 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000895447567 684603651 /nfs/dbraw/zinc/60/36/51/684603651.db2.gz ORAAVUFPWFDOIJ-INIZCTEOSA-N 1 0 346.431 2.116 20 5 EEBDRO CCc1cccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000985432153 686709010 /nfs/dbraw/zinc/70/90/10/686709010.db2.gz WSRNVDKQJSEAEZ-QZTJIDSGSA-N 1 0 345.443 2.337 20 5 EEBDRO O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783674456 1186920801 /nfs/dbraw/zinc/92/08/01/1186920801.db2.gz PFGCMAGMTCRVPT-GFCCVEGCSA-N 1 0 338.795 2.284 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000905564808 1189779003 /nfs/dbraw/zinc/77/90/03/1189779003.db2.gz OCBVYKHCYQTUTA-UONOGXRCSA-N 1 0 347.337 2.245 20 5 EEBDRO CCc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001034644739 1196466428 /nfs/dbraw/zinc/46/64/28/1196466428.db2.gz LLXKJCAVMGUUDD-BRSBDYLESA-N 1 0 345.443 2.431 20 5 EEBDRO C[NH+](C)[C@]1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCSC1 ZINC000865583830 1198286838 /nfs/dbraw/zinc/28/68/38/1198286838.db2.gz XFGGZTVEKHEANO-AWEZNQCLSA-N 1 0 329.397 2.075 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215503 1198533333 /nfs/dbraw/zinc/53/33/33/1198533333.db2.gz BKEZKFLRKCFBED-AOOOYVTPSA-N 1 0 326.194 2.294 20 5 EEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825743463 1198933097 /nfs/dbraw/zinc/93/30/97/1198933097.db2.gz YHRWQRJZMYXNJR-AEFFLSMTSA-N 1 0 346.431 2.151 20 5 EEBDRO Cn1nccc1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877364390 1199914646 /nfs/dbraw/zinc/91/46/46/1199914646.db2.gz XQMWPDQTEDBPPP-UHFFFAOYSA-N 1 0 345.222 2.485 20 5 EEBDRO Cc1c[n+]([O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC001170628918 1199941586 /nfs/dbraw/zinc/94/15/86/1199941586.db2.gz FIDJMVZEIACHOP-UHFFFAOYSA-N 1 0 346.431 2.271 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929459003 1206476812 /nfs/dbraw/zinc/47/68/12/1206476812.db2.gz FEAHVGXZTYOKHX-SJORKVTESA-N 1 0 331.416 2.499 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955005 1206607163 /nfs/dbraw/zinc/60/71/63/1206607163.db2.gz HRBZCQANHJDZHP-QGZVFWFLSA-N 1 0 329.404 2.442 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCn3cccc3C2)c([N+](=O)[O-])c1 ZINC000932527761 1207623631 /nfs/dbraw/zinc/62/36/31/1207623631.db2.gz HYEMVGYHWWUEMZ-UHFFFAOYSA-N 1 0 344.371 2.249 20 5 EEBDRO COC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000076144644 1209071264 /nfs/dbraw/zinc/07/12/64/1209071264.db2.gz XZKRNAKPGLXPPY-UHFFFAOYSA-N 1 0 336.388 2.181 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093714 1213632629 /nfs/dbraw/zinc/63/26/29/1213632629.db2.gz PNYKMYZMUMGSDG-CZUORRHYSA-N 1 0 329.404 2.318 20 5 EEBDRO CCOC1CC2(C1)CCN(Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000795719416 1215012608 /nfs/dbraw/zinc/01/26/08/1215012608.db2.gz DLKGNFAAIBMFJC-UHFFFAOYSA-N 1 0 347.371 2.351 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001019937636 1229411551 /nfs/dbraw/zinc/41/15/51/1229411551.db2.gz SQWSHMLYRQPHTC-SHTZXODSSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001020086141 1229477749 /nfs/dbraw/zinc/47/77/49/1229477749.db2.gz ZLPNMRFUZGPXFM-SHTZXODSSA-N 1 0 343.383 2.476 20 5 EEBDRO CC[NH+]1CCC(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000902401859 1237526891 /nfs/dbraw/zinc/52/68/91/1237526891.db2.gz AHMGPGPRAAFKHD-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903128517 1239806013 /nfs/dbraw/zinc/80/60/13/1239806013.db2.gz ALMLKRZMAFJGKW-RQJABVFESA-N 1 0 336.392 2.206 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097185451 1243798496 /nfs/dbraw/zinc/79/84/96/1243798496.db2.gz YHLDAYOJCHKJKT-BETUJISGSA-N 1 0 338.383 2.135 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097189932 1243827275 /nfs/dbraw/zinc/82/72/75/1243827275.db2.gz JWRUTNSUEHAKPX-TXEJJXNPSA-N 1 0 338.383 2.133 20 5 EEBDRO CC(C)CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291322 1245487505 /nfs/dbraw/zinc/48/75/05/1245487505.db2.gz PKRGUVOXBGWRKN-QZTJIDSGSA-N 1 0 345.443 2.372 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC001101830156 1246218786 /nfs/dbraw/zinc/21/87/86/1246218786.db2.gz LNWAHTHBASQTOS-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO CN(c1ccccc1[N+](=O)[O-])C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001068678687 1251511877 /nfs/dbraw/zinc/51/18/77/1251511877.db2.gz BMYWMJKQKQGRHZ-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104134147 1284913752 /nfs/dbraw/zinc/91/37/52/1284913752.db2.gz MHUKPSDLRVBWQS-UHFFFAOYSA-N 1 0 334.420 2.480 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859667882 1294587542 /nfs/dbraw/zinc/58/75/42/1294587542.db2.gz PCVJNPMTCSNATG-ZETCQYMHSA-N 1 0 331.170 2.168 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+](C)C ZINC000860447339 1294972850 /nfs/dbraw/zinc/97/28/50/1294972850.db2.gz JIHQMSUMCBKFGK-NWDGAFQWSA-N 1 0 343.836 2.366 20 5 EEBDRO C[C@@]1(O)CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000794666066 1296505963 /nfs/dbraw/zinc/50/59/63/1296505963.db2.gz IUUSTUVUDNWNSA-MRXNPFEDSA-N 1 0 331.376 2.048 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN2CCN(Cc3cncs3)CC2)cc1 ZINC000931361345 1297158656 /nfs/dbraw/zinc/15/86/56/1297158656.db2.gz FXZIHUNDBQQLLR-UHFFFAOYSA-N 1 0 332.429 2.412 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001102017067 1300145670 /nfs/dbraw/zinc/14/56/70/1300145670.db2.gz CDVLXEOYAVKKRK-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](OCCC[N+](C)(C)C)CCO2 ZINC001224619814 1300672523 /nfs/dbraw/zinc/67/25/23/1300672523.db2.gz RISOTOVSMHGQSD-OAHLLOKOSA-N 1 0 343.488 2.268 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001226953240 1301623759 /nfs/dbraw/zinc/62/37/59/1301623759.db2.gz WTPFNGRBOYJPFP-GUDXXQAFSA-N 1 0 334.372 2.449 20 5 EEBDRO C[NH+]1CCC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227449095 1301832964 /nfs/dbraw/zinc/83/29/64/1301832964.db2.gz LCEXLRJMYBTFRI-UHFFFAOYSA-N 1 0 326.352 2.004 20 5 EEBDRO COc1ccc(C(F)(F)F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227888399 1301999154 /nfs/dbraw/zinc/99/91/54/1301999154.db2.gz PZQUXXGJRHWTRR-LLVKDONJSA-N 1 0 336.330 2.077 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143177 1302123810 /nfs/dbraw/zinc/12/38/10/1302123810.db2.gz JXHNYRVZFQHYOG-TZMCWYRMSA-N 1 0 344.371 2.380 20 5 EEBDRO CC(=O)Nc1cc(OC2CC[NH+](C)CC2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229129550 1302633063 /nfs/dbraw/zinc/63/30/63/1302633063.db2.gz LMTPGPRTUMPDIQ-UHFFFAOYSA-N 1 0 335.360 2.229 20 5 EEBDRO CC(C)[NH+]1CCC(Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229363684 1302747942 /nfs/dbraw/zinc/74/79/42/1302747942.db2.gz DYLBULMEQRFXDM-UHFFFAOYSA-N 1 0 332.360 2.495 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111827994 1303957347 /nfs/dbraw/zinc/95/73/47/1303957347.db2.gz LPBHLEOVODXUNZ-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C1NCC[C@@]12CC[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232221029 1304042718 /nfs/dbraw/zinc/04/27/18/1304042718.db2.gz VWYRBCQNJLWTOZ-FQEVSTJZSA-N 1 0 332.407 2.495 20 5 EEBDRO Cn1cccc1C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234034433 1304699407 /nfs/dbraw/zinc/69/94/07/1304699407.db2.gz DJXFGHLEJCVGNB-UHFFFAOYSA-N 1 0 330.388 2.185 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246942311 1310472929 /nfs/dbraw/zinc/47/29/29/1310472929.db2.gz HERIKTJLPWOLCS-SRVKXCTJSA-N 1 0 325.384 2.356 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000839706627 1315235551 /nfs/dbraw/zinc/23/55/51/1315235551.db2.gz YMRPZYWEAZFERT-BRSBDYLESA-N 1 0 343.427 2.165 20 5 EEBDRO O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000842638543 1315741320 /nfs/dbraw/zinc/74/13/20/1315741320.db2.gz LRWBPWMVOZUFCN-MFKMUULPSA-N 1 0 329.316 2.268 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cn1 ZINC001149518932 1315982407 /nfs/dbraw/zinc/98/24/07/1315982407.db2.gz TYSSCIGFUHADHC-UHFFFAOYSA-N 1 0 340.383 2.387 20 5 EEBDRO O=C(Cc1ccccc1F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149692578 1316015887 /nfs/dbraw/zinc/01/58/87/1316015887.db2.gz HUKAAQQYKJPHPX-UHFFFAOYSA-N 1 0 337.376 2.244 20 5 EEBDRO Cc1noc(C)c1CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150620776 1316319264 /nfs/dbraw/zinc/31/92/64/1316319264.db2.gz ZBNPBLBEYFJNHH-UHFFFAOYSA-N 1 0 346.387 2.038 20 5 EEBDRO O=C(COc1ccccc1F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150943018 1316414690 /nfs/dbraw/zinc/41/46/90/1316414690.db2.gz LIFYERWUNMILKA-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001152078567 1316629518 /nfs/dbraw/zinc/62/95/18/1316629518.db2.gz UOFYOASDKDNXRK-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO N=c1cc(C[NH3+])ccn1C(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153425400 1316826921 /nfs/dbraw/zinc/82/69/21/1316826921.db2.gz QTMGJEYPMWXHIC-UHFFFAOYSA-N 1 0 345.358 2.374 20 5 EEBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001249343271 1317057252 /nfs/dbraw/zinc/05/72/52/1317057252.db2.gz WTIKAWGXUIIQDV-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO CCc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155039389 1317429594 /nfs/dbraw/zinc/42/95/94/1317429594.db2.gz HQFVYESSRQBXRX-JSGCOSHPSA-N 1 0 345.378 2.148 20 5 EEBDRO [NH3+]CC1CN([C@H]2CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001155371602 1317569297 /nfs/dbraw/zinc/56/92/97/1317569297.db2.gz BWBSLKRFOFUDAC-AWEZNQCLSA-N 1 0 341.415 2.002 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001155570498 1317655541 /nfs/dbraw/zinc/65/55/41/1317655541.db2.gz NNNFBFSDQRGYLT-NSHDSACASA-N 1 0 348.384 2.484 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc2c1 ZINC001155593094 1317664231 /nfs/dbraw/zinc/66/42/31/1317664231.db2.gz XOYCOAUUPOZOFW-SJKOYZFVSA-N 1 0 343.387 2.109 20 5 EEBDRO Cc1nc(N(Cc2ccccc2)C2(C[NH3+])COC2)ccc1[N+](=O)[O-] ZINC001156628539 1318118744 /nfs/dbraw/zinc/11/87/44/1318118744.db2.gz XPGZJWMHRQDTOX-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO O=C1CCC2(CCC(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254575165 1318127599 /nfs/dbraw/zinc/12/75/99/1318127599.db2.gz PESRWLNJVVORPU-ZHTDJMBKSA-N 1 0 343.427 2.491 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606308 1318141735 /nfs/dbraw/zinc/14/17/35/1318141735.db2.gz GHEJXIRJLFBXNR-ZWKOTPCHSA-N 1 0 333.432 2.105 20 5 EEBDRO Cc1nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001157434312 1318639203 /nfs/dbraw/zinc/63/92/03/1318639203.db2.gz PZVPCVHBTLXAEC-OAHLLOKOSA-N 1 0 327.388 2.452 20 5 EEBDRO O=[N+]([O-])c1cc(N(c2cnccn2)C2CC[NH2+]CC2)nc2[nH]ccc21 ZINC001157541054 1318704046 /nfs/dbraw/zinc/70/40/46/1318704046.db2.gz CQBVMMSFMHBKDB-UHFFFAOYSA-N 1 0 339.359 2.151 20 5 EEBDRO [NH3+]CC[C@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001157745220 1318830687 /nfs/dbraw/zinc/83/06/87/1318830687.db2.gz LMJMCFCHNLQLNO-JTQLQIEISA-N 1 0 334.763 2.466 20 5 EEBDRO [NH3+][C@H]1CCc2nn(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)cc2C1 ZINC001157980208 1318957641 /nfs/dbraw/zinc/95/76/41/1318957641.db2.gz OPMXWXORGWBOJA-QMMMGPOBSA-N 1 0 343.721 2.253 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])O1 ZINC001159243623 1319703874 /nfs/dbraw/zinc/70/38/74/1319703874.db2.gz QQWRGOMKQTYAHO-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO [NH3+][C@H]1CC[C@H](N(c2cc(Cl)cc([N+](=O)[O-])n2)C2COC2)CC1 ZINC001161276379 1320441973 /nfs/dbraw/zinc/44/19/73/1320441973.db2.gz ARWARZXWMRCJOX-XYPYZODXSA-N 1 0 326.784 2.118 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1ccc(F)cc1 ZINC001161877799 1320657684 /nfs/dbraw/zinc/65/76/84/1320657684.db2.gz RERVBEFXRNQORV-UHFFFAOYSA-N 1 0 334.307 2.012 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162794453 1320960367 /nfs/dbraw/zinc/96/03/67/1320960367.db2.gz PGLOAYBPTJZPOU-POZPLHJXSA-N 1 0 330.722 2.056 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cn2ccnc12 ZINC001162965010 1320998715 /nfs/dbraw/zinc/99/87/15/1320998715.db2.gz FIMJEMCVRMYOPQ-CQSZACIVSA-N 1 0 345.403 2.203 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163230480 1321072643 /nfs/dbraw/zinc/07/26/43/1321072643.db2.gz ORUVQOPTXBOLKI-LLVKDONJSA-N 1 0 334.357 2.094 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163281397 1321086773 /nfs/dbraw/zinc/08/67/73/1321086773.db2.gz WYOJHVDWEMHYKA-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001307230366 1329955029 /nfs/dbraw/zinc/95/50/29/1329955029.db2.gz UBQWHRNPZMHKCJ-UHFFFAOYSA-N 1 0 336.392 2.229 20 5 EEBDRO CNC(=O)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214865 1331517353 /nfs/dbraw/zinc/51/73/53/1331517353.db2.gz WPBZDBGJBZQMCE-HNNXBMFYSA-N 1 0 340.383 2.105 20 5 EEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001311046471 1331748009 /nfs/dbraw/zinc/74/80/09/1331748009.db2.gz UWDCDPMNZBQXHD-VIFPVBQESA-N 1 0 327.772 2.046 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001318413031 1332528303 /nfs/dbraw/zinc/52/83/03/1332528303.db2.gz KFUCILODLCISCQ-OCCSQVGLSA-N 1 0 341.433 2.283 20 5 EEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001319579720 1332724333 /nfs/dbraw/zinc/72/43/33/1332724333.db2.gz PYNCUPDLOIYMEG-LBPRGKRZSA-N 1 0 328.372 2.386 20 5 EEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001320717992 1332940135 /nfs/dbraw/zinc/94/01/35/1332940135.db2.gz XJIIWRDBQSVRLQ-NWDGAFQWSA-N 1 0 338.360 2.043 20 5 EEBDRO CC[NH+](CC)Cc1ccc(-c2nnc(Cn3cc([N+](=O)[O-])cn3)o2)o1 ZINC001322892513 1333349279 /nfs/dbraw/zinc/34/92/79/1333349279.db2.gz JOMKSPVJSULLPO-UHFFFAOYSA-N 1 0 346.347 2.324 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001327718579 1334338580 /nfs/dbraw/zinc/33/85/80/1334338580.db2.gz VHUGMMPLAZCWRT-HOTGVXAUSA-N 1 0 349.435 2.179 20 5 EEBDRO C[N@H+](CCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001609276224 1351918429 /nfs/dbraw/zinc/91/84/29/1351918429.db2.gz ULZGONPCOVPQGI-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1cc(N(C)CCNC(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001100155734 1338083064 /nfs/dbraw/zinc/08/30/64/1338083064.db2.gz ZGXPSAHVJYVQDM-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001100203739 1338156720 /nfs/dbraw/zinc/15/67/20/1338156720.db2.gz DCLQHQOALZEKND-UHFFFAOYSA-N 1 0 340.399 2.017 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC001576017475 1343946466 /nfs/dbraw/zinc/94/64/66/1343946466.db2.gz UKOFEUAJRQRAPK-UKRRQHHQSA-N 1 0 334.420 2.338 20 5 EEBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001580163255 1344482440 /nfs/dbraw/zinc/48/24/40/1344482440.db2.gz MJOWFGUNOHEETE-LSDHHAIUSA-N 1 0 330.388 2.169 20 5 EEBDRO CC(C)C[C@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001589555392 1349003473 /nfs/dbraw/zinc/00/34/73/1349003473.db2.gz AWYKVZNUUPPORB-GFCCVEGCSA-N 1 0 333.396 2.163 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001589715498 1349023544 /nfs/dbraw/zinc/02/35/44/1349023544.db2.gz WCJLCDZBXKTKRF-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604997303 1351048995 /nfs/dbraw/zinc/04/89/95/1351048995.db2.gz BILMEVXITOPHMD-HWPZZCPQSA-N 1 0 346.391 2.068 20 5 EEBDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850429506 1367141773 /nfs/dbraw/zinc/14/17/73/1367141773.db2.gz FWQLNMKBLKBSFO-NEPJUHHUSA-N 1 0 337.376 2.485 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001111903394 1371294907 /nfs/dbraw/zinc/29/49/07/1371294907.db2.gz VHUREYWCUDBCJR-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CCc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001754197054 1406863035 /nfs/dbraw/zinc/86/30/35/1406863035.db2.gz NKFDTMSGDWWZTH-AATRIKPKSA-N 1 0 344.371 2.221 20 5 EEBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC001576085607 1403559916 /nfs/dbraw/zinc/55/99/16/1403559916.db2.gz MBTSOGFNUPTWIQ-CRAIPNDOSA-N 1 0 340.383 2.358 20 5 EEBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001576820472 1403609006 /nfs/dbraw/zinc/60/90/06/1403609006.db2.gz UYBBVHXRGPLZJY-RWMBFGLXSA-N 1 0 344.419 2.293 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc2c(s1)C[NH2+]CC2 ZINC001578480222 1403761748 /nfs/dbraw/zinc/76/17/48/1403761748.db2.gz BMTSSERSFPBPLX-UHFFFAOYSA-N 1 0 332.429 2.372 20 5 EEBDRO CC(C)(C)CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001755455579 1407479345 /nfs/dbraw/zinc/47/93/45/1407479345.db2.gz RCNZCLIQDKGGKO-HUUCEWRRSA-N 1 0 337.464 2.402 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727354 720351522 /nfs/dbraw/zinc/35/15/22/720351522.db2.gz SXFXWFJVZXKRQL-CABCVRRESA-N 1 0 343.362 2.377 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC001165038092 721907937 /nfs/dbraw/zinc/90/79/37/721907937.db2.gz JNHDQZSCCULOHS-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000840252607 782457835 /nfs/dbraw/zinc/45/78/35/782457835.db2.gz XSUJRRTZDHHLOJ-MWLCHTKSSA-N 1 0 346.309 2.284 20 5 EEBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000846647300 790307810 /nfs/dbraw/zinc/30/78/10/790307810.db2.gz LRUTZDPYTONYCL-UHFFFAOYSA-N 1 0 347.293 2.369 20 5 EEBDRO CCn1nc(C)cc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167264057 757601454 /nfs/dbraw/zinc/60/14/54/757601454.db2.gz PCVPJVAVCSLAMM-UHFFFAOYSA-N 1 0 345.403 2.029 20 5 EEBDRO CCN(CCNC(=O)CCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001100582551 760401678 /nfs/dbraw/zinc/40/16/78/760401678.db2.gz QWASQQIWGWUMRU-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000893938136 780320427 /nfs/dbraw/zinc/32/04/27/780320427.db2.gz BSBWYUOBKAWLJJ-NOZJJQNGSA-N 1 0 326.194 2.498 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000906636997 784038784 /nfs/dbraw/zinc/03/87/84/784038784.db2.gz RCTWOEWLKOZNLQ-CQSZACIVSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818522951 785271841 /nfs/dbraw/zinc/27/18/41/785271841.db2.gz LUUUJQRPTSCTGO-OAHLLOKOSA-N 1 0 338.364 2.223 20 5 EEBDRO Cc1c(CC(=O)NCc2ccc(CC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000818534667 785301961 /nfs/dbraw/zinc/30/19/61/785301961.db2.gz KQFQJODWFBEMOY-UHFFFAOYSA-N 1 0 327.384 2.263 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818592276 785314707 /nfs/dbraw/zinc/31/47/07/785314707.db2.gz YEDVPFAHLRZLQH-LLVKDONJSA-N 1 0 336.348 2.155 20 5 EEBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCCCC1 ZINC000819170868 785445368 /nfs/dbraw/zinc/44/53/68/785445368.db2.gz CGCYBOHGIGPKLI-DLBZAZTESA-N 1 0 347.415 2.151 20 5 EEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000819931723 785698857 /nfs/dbraw/zinc/69/88/57/785698857.db2.gz RYMNBQMZUPNASZ-UHFFFAOYSA-N 1 0 336.392 2.329 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+]1CCCC[C@@H]1C ZINC000801816401 785720065 /nfs/dbraw/zinc/72/00/65/785720065.db2.gz DMEYLDYJDKHSNN-WDEREUQCSA-N 1 0 338.383 2.309 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000820548808 785968035 /nfs/dbraw/zinc/96/80/35/785968035.db2.gz BKXVFUOEVNVIMA-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@H](C)C1 ZINC000910291339 786651535 /nfs/dbraw/zinc/65/15/35/786651535.db2.gz CWFRZJUKUKAGCT-CYBMUJFWSA-N 1 0 334.420 2.217 20 5 EEBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000910853048 787075708 /nfs/dbraw/zinc/07/57/08/787075708.db2.gz XCQXSTGQXVXVST-UHFFFAOYSA-N 1 0 349.431 2.150 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911876050 787786998 /nfs/dbraw/zinc/78/69/98/787786998.db2.gz WJRYFOHAICMZJA-DLBZAZTESA-N 1 0 347.415 2.055 20 5 EEBDRO O=C(Cc1ccc(F)cc1F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127816339 787958402 /nfs/dbraw/zinc/95/84/02/787958402.db2.gz PEOIQSSOSPCOHK-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000825046488 788414018 /nfs/dbraw/zinc/41/40/18/788414018.db2.gz URPXOXJCMOKFFV-XJKCOSOUSA-N 1 0 335.404 2.007 20 5 EEBDRO CC1CC[NH+](CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825117403 788444599 /nfs/dbraw/zinc/44/45/99/788444599.db2.gz CIXMXRNQPYTSMX-QGZVFWFLSA-N 1 0 349.431 2.257 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000923275316 789275950 /nfs/dbraw/zinc/27/59/50/789275950.db2.gz XOIZZEFHJXEADO-DZGCQCFKSA-N 1 0 342.399 2.314 20 5 EEBDRO C[NH2+]C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923288707 789317643 /nfs/dbraw/zinc/31/76/43/789317643.db2.gz BUKOAUUDJWGZQX-SNVBAGLBSA-N 1 0 328.210 2.399 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923439425 789563538 /nfs/dbraw/zinc/56/35/38/789563538.db2.gz COFOQCVVYHUVFZ-SRVKXCTJSA-N 1 0 331.376 2.216 20 5 EEBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899677 797129006 /nfs/dbraw/zinc/12/90/06/797129006.db2.gz BRUFICGZPUTMDH-NVXWUHKLSA-N 1 0 349.431 2.102 20 5 EEBDRO CN(C(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CC1 ZINC001172895779 797147319 /nfs/dbraw/zinc/14/73/19/797147319.db2.gz IWJVGECQTGWDLI-OAHLLOKOSA-N 1 0 331.416 2.443 20 5 EEBDRO CN(C1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@H]1CCOC1 ZINC001172913784 797148085 /nfs/dbraw/zinc/14/80/85/797148085.db2.gz VBOVTWSWTAIVLC-AEFFLSMTSA-N 1 0 345.443 2.247 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3CC(O)C3)CC2)c(F)c1 ZINC001173010720 797196078 /nfs/dbraw/zinc/19/60/78/797196078.db2.gz HZGJQCZLVRONHI-UHFFFAOYSA-N 1 0 341.358 2.202 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001173237165 797323286 /nfs/dbraw/zinc/32/32/86/797323286.db2.gz INUSATZKKXLXTL-UKPHBRMFSA-N 1 0 331.416 2.469 20 5 EEBDRO CCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173689328 797603034 /nfs/dbraw/zinc/60/30/34/797603034.db2.gz DOAXCNNXYVXTNT-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccccn21 ZINC000917064442 798053382 /nfs/dbraw/zinc/05/33/82/798053382.db2.gz USBOJJYKBFJHCI-AWEZNQCLSA-N 1 0 345.403 2.298 20 5 EEBDRO Cc1nocc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003538349 799799246 /nfs/dbraw/zinc/79/92/46/799799246.db2.gz XJXVOAHLNOYYKM-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC001086294161 802683850 /nfs/dbraw/zinc/68/38/50/802683850.db2.gz LLPJRRWPTGXTTN-SAZUREKKSA-N 1 0 340.383 2.288 20 5 EEBDRO [NH3+]CCc1cnn(-c2c(Br)cc(F)cc2[N+](=O)[O-])c1 ZINC001168946292 803532096 /nfs/dbraw/zinc/53/20/96/803532096.db2.gz HGEMGXNIXUWISH-UHFFFAOYSA-N 1 0 329.129 2.183 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)n1 ZINC001168947984 803534167 /nfs/dbraw/zinc/53/41/67/803534167.db2.gz IABWUSFKNXRXPO-UHFFFAOYSA-N 1 0 342.812 2.227 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007122 803568577 /nfs/dbraw/zinc/56/85/77/803568577.db2.gz LJAKMVQNWMWQQL-JSGCOSHPSA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169010093 803570176 /nfs/dbraw/zinc/57/01/76/803570176.db2.gz AXYXMXGLZWWNFQ-APIJFGDWSA-N 1 0 339.436 2.373 20 5 EEBDRO CCOC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168987895 803572402 /nfs/dbraw/zinc/57/24/02/803572402.db2.gz LDRXCVKNZWBLFA-INWMFGNUSA-N 1 0 336.388 2.422 20 5 EEBDRO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2C1 ZINC001169026994 803574578 /nfs/dbraw/zinc/57/45/78/803574578.db2.gz OQSDJDJHXPOKQY-FZKCQIBNSA-N 1 0 347.415 2.261 20 5 EEBDRO O=C(c1ccccc1F)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169029044 803576481 /nfs/dbraw/zinc/57/64/81/803576481.db2.gz UCCYITUCJSALJS-UONOGXRCSA-N 1 0 335.379 2.029 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037176 803580734 /nfs/dbraw/zinc/58/07/34/803580734.db2.gz QZHZUODDWXYGON-MELADBBJSA-N 1 0 327.425 2.373 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(Cl)nn3)CC2)C1 ZINC001169039698 803582142 /nfs/dbraw/zinc/58/21/42/803582142.db2.gz SMOPVPULMKRWRQ-NEPJUHHUSA-N 1 0 340.811 2.419 20 5 EEBDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022223 803588709 /nfs/dbraw/zinc/58/87/09/803588709.db2.gz QWRZCNJRMGTTJB-LUKYLMHMSA-N 1 0 326.437 2.339 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)C1 ZINC001169025828 803591367 /nfs/dbraw/zinc/59/13/67/803591367.db2.gz ZCMYEKMCSAQXHL-HLLBOEOZSA-N 1 0 346.431 2.261 20 5 EEBDRO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050687 803595477 /nfs/dbraw/zinc/59/54/77/803595477.db2.gz CHKJLXNOUAFIKA-SOUVJXGZSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170305495 809874735 /nfs/dbraw/zinc/87/47/35/809874735.db2.gz LSZBUMKXMYXEKM-SJKOYZFVSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312177 809885433 /nfs/dbraw/zinc/88/54/33/809885433.db2.gz DLCNROAUKDIFFJ-BLLLJJGKSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccn(CCF)n2)c([N+](=O)[O-])c1 ZINC001170325614 809891812 /nfs/dbraw/zinc/89/18/12/809891812.db2.gz XEWQCMBPMQEDFQ-GFCCVEGCSA-N 1 0 336.367 2.490 20 5 EEBDRO COc1ccc(C[C@H](C)[N@H+](C)CCc2noc(C)n2)c([N+](=O)[O-])c1 ZINC001170335415 809899066 /nfs/dbraw/zinc/89/90/66/809899066.db2.gz NBHVWYZLTBFSFC-NSHDSACASA-N 1 0 334.376 2.400 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170346326 809916100 /nfs/dbraw/zinc/91/61/00/809916100.db2.gz NGQSJCPLMRJLQZ-IUODEOHRSA-N 1 0 335.404 2.135 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001129484578 810870900 /nfs/dbraw/zinc/87/09/00/810870900.db2.gz UVSXDRWURIOOBD-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CC[NH2+]C1 ZINC001170517642 812070281 /nfs/dbraw/zinc/07/02/81/812070281.db2.gz SNGNBKNJJNOQCO-UHFFFAOYSA-N 1 0 330.344 2.299 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000807925043 812388255 /nfs/dbraw/zinc/38/82/55/812388255.db2.gz FWBCJXLZSTVTOI-AWEZNQCLSA-N 1 0 337.424 2.175 20 5 EEBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808219052 812522218 /nfs/dbraw/zinc/52/22/18/812522218.db2.gz WLUYQMLDJJNINL-AWEZNQCLSA-N 1 0 345.403 2.140 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189083678 290627704 /nfs/dbraw/zinc/62/77/04/290627704.db2.gz JVMMWDPPRFBPQK-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO O=C1CCCN1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243430 231158106 /nfs/dbraw/zinc/15/81/06/231158106.db2.gz HCWHYIWXSNXESS-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CN(c1ccccc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835027 530035676 /nfs/dbraw/zinc/03/56/76/530035676.db2.gz HFKDNKFRJITRJJ-UHFFFAOYSA-N 1 0 329.404 2.392 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262588708 290181061 /nfs/dbraw/zinc/18/10/61/290181061.db2.gz YANNBDFVMUIAJB-WDEREUQCSA-N 1 0 341.795 2.131 20 5 EEBDRO Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000184606475 235445536 /nfs/dbraw/zinc/44/55/36/235445536.db2.gz ULJVKOYWVFPMHX-AWEZNQCLSA-N 1 0 348.403 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000072609377 216280571 /nfs/dbraw/zinc/28/05/71/216280571.db2.gz RLUXIZBDMYXFDW-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000421875467 240039400 /nfs/dbraw/zinc/03/94/00/240039400.db2.gz QAXFZXFUJCMJCE-AWEZNQCLSA-N 1 0 349.431 2.129 20 5 EEBDRO C[C@H]1CC2(CN1C(=O)CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424245638 240878932 /nfs/dbraw/zinc/87/89/32/240878932.db2.gz UTJYXBYGBSYGLY-AWEZNQCLSA-N 1 0 347.415 2.354 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000132967402 223376968 /nfs/dbraw/zinc/37/69/68/223376968.db2.gz LQQGHPNHHSJGGI-GFCCVEGCSA-N 1 0 332.198 2.082 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1C ZINC000236722132 242334856 /nfs/dbraw/zinc/33/48/56/242334856.db2.gz ZENMOJYUTARUII-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573910 242291246 /nfs/dbraw/zinc/29/12/46/242291246.db2.gz JOHIQEKWSKLQFR-FOGDFJRCSA-N 1 0 336.314 2.178 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449591746 242570264 /nfs/dbraw/zinc/57/02/64/242570264.db2.gz QYKASELFJLLWSD-HEHGZKQESA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449711283 242610511 /nfs/dbraw/zinc/61/05/11/242610511.db2.gz CZFRUHAHCIDUCC-NHCYSSNCSA-N 1 0 341.795 2.259 20 5 EEBDRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543142 243150576 /nfs/dbraw/zinc/15/05/76/243150576.db2.gz AZOYLCBASFWIJC-PBHICJAKSA-N 1 0 336.388 2.088 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552214 243156075 /nfs/dbraw/zinc/15/60/75/243156075.db2.gz YKPULHQATLZVTB-SQWLQELKSA-N 1 0 338.404 2.081 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000451695275 243210093 /nfs/dbraw/zinc/21/00/93/243210093.db2.gz DJNGTZAKTKBBEH-YRGRVCCFSA-N 1 0 330.388 2.454 20 5 EEBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000451658350 243194802 /nfs/dbraw/zinc/19/48/02/243194802.db2.gz CTLOQBRMXWIDMH-TXEJJXNPSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456268220 244203287 /nfs/dbraw/zinc/20/32/87/244203287.db2.gz IXZLSCOENLMZPR-CYBMUJFWSA-N 1 0 329.360 2.428 20 5 EEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449670370 284245577 /nfs/dbraw/zinc/24/55/77/284245577.db2.gz ZOJVJNOKBQGKQB-LBPRGKRZSA-N 1 0 325.271 2.068 20 5 EEBDRO CC[C@@]1(O)CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214793 247089516 /nfs/dbraw/zinc/08/95/16/247089516.db2.gz XNQKRJVLHLDONO-ZUZCIYMTSA-N 1 0 341.795 2.422 20 5 EEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000153528543 224117617 /nfs/dbraw/zinc/11/76/17/224117617.db2.gz QVMUWIUCHKGALJ-UHFFFAOYSA-N 1 0 333.344 2.097 20 5 EEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195512027 256012397 /nfs/dbraw/zinc/01/23/97/256012397.db2.gz VUGNWTQTUPHQFA-STQMWFEESA-N 1 0 339.465 2.046 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000267958145 256099807 /nfs/dbraw/zinc/09/98/07/256099807.db2.gz KCPNZPBDMNNCJP-CYBMUJFWSA-N 1 0 348.403 2.163 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000270447086 256136433 /nfs/dbraw/zinc/13/64/33/256136433.db2.gz DTUWHBQJGKFNAD-RDJZCZTQSA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000268137708 256117361 /nfs/dbraw/zinc/11/73/61/256117361.db2.gz JVGBSBLQESMCRK-DGCLKSJQSA-N 1 0 328.376 2.042 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000270800617 256173309 /nfs/dbraw/zinc/17/33/09/256173309.db2.gz CKZGUHSXSCQGNI-CYBMUJFWSA-N 1 0 335.404 2.162 20 5 EEBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000270999906 256197476 /nfs/dbraw/zinc/19/74/76/256197476.db2.gz YTNATIYQGWSCQK-IUODEOHRSA-N 1 0 331.372 2.495 20 5 EEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000271216616 256220729 /nfs/dbraw/zinc/22/07/29/256220729.db2.gz IZSJPDVFOPQCQD-KBRIMQKVSA-N 1 0 330.388 2.408 20 5 EEBDRO C[NH+](C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000271309536 256231861 /nfs/dbraw/zinc/23/18/61/256231861.db2.gz SHGGYJBJNMVMSF-UHFFFAOYSA-N 1 0 347.462 2.346 20 5 EEBDRO COc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000272887411 256246695 /nfs/dbraw/zinc/24/66/95/256246695.db2.gz XYIXTPNXHVCOBW-UHFFFAOYSA-N 1 0 334.376 2.352 20 5 EEBDRO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273054846 256261357 /nfs/dbraw/zinc/26/13/57/256261357.db2.gz XUIGIOWODOCOSE-GFCCVEGCSA-N 1 0 335.429 2.454 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273811927 256329195 /nfs/dbraw/zinc/32/91/95/256329195.db2.gz BAKVZLIBOHKINT-UHFFFAOYSA-N 1 0 325.384 2.468 20 5 EEBDRO COC(=O)c1cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000276572739 256445762 /nfs/dbraw/zinc/44/57/62/256445762.db2.gz NKXDUSLUTRSJHS-UHFFFAOYSA-N 1 0 336.392 2.498 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150795713 533328219 /nfs/dbraw/zinc/32/82/19/533328219.db2.gz IYELIPYZOUZCJG-LSDHHAIUSA-N 1 0 346.431 2.340 20 5 EEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]CC2CCCCC2)c1 ZINC000120299446 142383859 /nfs/dbraw/zinc/38/38/59/142383859.db2.gz SKKCPRRUNGTXTO-UHFFFAOYSA-N 1 0 341.433 2.043 20 5 EEBDRO C[NH+]1CCC(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124930970 143730704 /nfs/dbraw/zinc/73/07/04/143730704.db2.gz NHONJHQHMXNJMT-UHFFFAOYSA-N 1 0 330.388 2.077 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000119735192 292247999 /nfs/dbraw/zinc/24/79/99/292247999.db2.gz PKGPOAHOJWPVED-IUODEOHRSA-N 1 0 338.404 2.270 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCC[NH+](C)C ZINC000120216820 292251802 /nfs/dbraw/zinc/25/18/02/292251802.db2.gz QYAMAWBSLDRKLX-JTQLQIEISA-N 1 0 327.406 2.225 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120295254 292252895 /nfs/dbraw/zinc/25/28/95/292252895.db2.gz ZCSZXGTVPGRFKM-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262575416 152293375 /nfs/dbraw/zinc/29/33/75/152293375.db2.gz IPUPWWXUHOSDKI-LLVKDONJSA-N 1 0 346.412 2.448 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000129923782 292365029 /nfs/dbraw/zinc/36/50/29/292365029.db2.gz QFFMYNJLSOLCAJ-UHFFFAOYSA-N 1 0 332.404 2.241 20 5 EEBDRO C[NH+](C)CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000109069453 159345981 /nfs/dbraw/zinc/34/59/81/159345981.db2.gz OMHVTPUQTJKTOT-UHFFFAOYSA-N 1 0 348.325 2.093 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237567264 160222708 /nfs/dbraw/zinc/22/27/08/160222708.db2.gz ZNNFFJABAMOVDR-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246430555 160279219 /nfs/dbraw/zinc/27/92/19/160279219.db2.gz AYTHYULRWZLPCM-XJKSGUPXSA-N 1 0 336.388 2.483 20 5 EEBDRO CSC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247297477 160318333 /nfs/dbraw/zinc/31/83/33/160318333.db2.gz UNFSNPKCXPHGKZ-UONOGXRCSA-N 1 0 326.418 2.162 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000342107938 161040037 /nfs/dbraw/zinc/04/00/37/161040037.db2.gz QAGDXNYZIZDMJP-VHDGCEQUSA-N 1 0 343.387 2.204 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1[N+](=O)[O-] ZINC000342428285 161064879 /nfs/dbraw/zinc/06/48/79/161064879.db2.gz FYZLBUPDQJPCCM-ARFHVFGLSA-N 1 0 347.415 2.340 20 5 EEBDRO [NH3+]C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000342610956 161077857 /nfs/dbraw/zinc/07/78/57/161077857.db2.gz AFQLHHBZOZPDNV-UHFFFAOYSA-N 1 0 327.768 2.015 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342739022 161087096 /nfs/dbraw/zinc/08/70/96/161087096.db2.gz OENOKCSIDSUZNT-GDBMZVCRSA-N 1 0 338.404 2.083 20 5 EEBDRO [NH3+]CC1CCC(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000343595384 161150136 /nfs/dbraw/zinc/15/01/36/161150136.db2.gz AZCFULDVWPBUIL-UHFFFAOYSA-N 1 0 335.404 2.245 20 5 EEBDRO Cn1ccnc1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000344254724 161211427 /nfs/dbraw/zinc/21/14/27/161211427.db2.gz HBXDMBTXMZXJTI-AWEZNQCLSA-N 1 0 329.360 2.279 20 5 EEBDRO COc1ccc(OCC[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351638847 161860819 /nfs/dbraw/zinc/86/08/19/161860819.db2.gz YOBFDGRKOJAGEN-KGLIPLIRSA-N 1 0 338.404 2.465 20 5 EEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000354949414 163029803 /nfs/dbraw/zinc/02/98/03/163029803.db2.gz KSTRUDFHUNGSAJ-UHFFFAOYSA-N 1 0 348.384 2.022 20 5 EEBDRO C[NH+](C)CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356280228 163391919 /nfs/dbraw/zinc/39/19/19/163391919.db2.gz MJPYJKAOOGLSDA-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO C[NH+](C)CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000356302251 163398487 /nfs/dbraw/zinc/39/84/87/163398487.db2.gz RHVGFEPBNOGWTC-UHFFFAOYSA-N 1 0 330.388 2.171 20 5 EEBDRO CC(C)(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079174 164424825 /nfs/dbraw/zinc/42/48/25/164424825.db2.gz KDNDLFDGINCREM-JKSUJKDBSA-N 1 0 331.416 2.377 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC(F)F ZINC000364293651 165084487 /nfs/dbraw/zinc/08/44/87/165084487.db2.gz ZBLPAYQRVRBRSG-NWDGAFQWSA-N 1 0 343.330 2.471 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364801834 165279413 /nfs/dbraw/zinc/27/94/13/165279413.db2.gz PVBUPLYGXGCTBA-CABCVRRESA-N 1 0 347.415 2.311 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000375757870 167186867 /nfs/dbraw/zinc/18/68/67/167186867.db2.gz MUXNWYIYRVOCII-GDBMZVCRSA-N 1 0 346.431 2.400 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376407562 167320071 /nfs/dbraw/zinc/32/00/71/167320071.db2.gz MQFLUGTZCIVDBY-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171377765 227048660 /nfs/dbraw/zinc/04/86/60/227048660.db2.gz CWIJOHCYJDSUHI-OLZOCXBDSA-N 1 0 349.387 2.007 20 5 EEBDRO CC(C)Oc1cccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000120572424 221615405 /nfs/dbraw/zinc/61/54/05/221615405.db2.gz GAVRHUKVVCBOJZ-INIZCTEOSA-N 1 0 348.403 2.071 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000042158413 268476594 /nfs/dbraw/zinc/47/65/94/268476594.db2.gz QYIXTSFAHLWVER-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1O ZINC000275533185 269122114 /nfs/dbraw/zinc/12/21/14/269122114.db2.gz XKAAIHCIRLNLRG-CQSZACIVSA-N 1 0 339.367 2.155 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277626773 269164955 /nfs/dbraw/zinc/16/49/55/269164955.db2.gz WWMFROJMQYAOOR-HNNXBMFYSA-N 1 0 333.388 2.107 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277747770 269178188 /nfs/dbraw/zinc/17/81/88/269178188.db2.gz BURCILHIRBPQJC-CQSZACIVSA-N 1 0 333.388 2.350 20 5 EEBDRO CC(C)NC(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280162392 269333535 /nfs/dbraw/zinc/33/35/35/269333535.db2.gz GLLHYHISWJPPBE-UHFFFAOYSA-N 1 0 332.404 2.407 20 5 EEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280656282 269383088 /nfs/dbraw/zinc/38/30/88/269383088.db2.gz ZODRLKYIBKMQCB-IRXDYDNUSA-N 1 0 343.383 2.177 20 5 EEBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000411717701 273555498 /nfs/dbraw/zinc/55/54/98/273555498.db2.gz IDURKUDADCFQJW-HNNXBMFYSA-N 1 0 346.391 2.039 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279235063 274457650 /nfs/dbraw/zinc/45/76/50/274457650.db2.gz JLSONIWPZOABDL-MFKMUULPSA-N 1 0 341.795 2.327 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000285017752 274666046 /nfs/dbraw/zinc/66/60/46/274666046.db2.gz HISFORYOORSYHV-ZIAGYGMSSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000275009568 274705333 /nfs/dbraw/zinc/70/53/33/274705333.db2.gz FQIRJFXMXQUZEY-RBSFLKMASA-N 1 0 334.420 2.376 20 5 EEBDRO CCC[C@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000285672706 274772441 /nfs/dbraw/zinc/77/24/41/274772441.db2.gz UHQMOEAYDSWFPC-KRWDZBQOSA-N 1 0 333.388 2.033 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000286166778 274843827 /nfs/dbraw/zinc/84/38/27/274843827.db2.gz OJZJDJNTUMFYDB-HZPDHXFCSA-N 1 0 349.431 2.474 20 5 EEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000286788459 274906272 /nfs/dbraw/zinc/90/62/72/274906272.db2.gz GQWNQINMNQOXHP-PBHICJAKSA-N 1 0 346.431 2.406 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000178837740 275033600 /nfs/dbraw/zinc/03/36/00/275033600.db2.gz IWPIBWSIFFBOMJ-UHFFFAOYSA-N 1 0 340.811 2.192 20 5 EEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000288417586 275056133 /nfs/dbraw/zinc/05/61/33/275056133.db2.gz NQFRKJBYPUIXPV-UHFFFAOYSA-N 1 0 340.383 2.133 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000288877449 275089538 /nfs/dbraw/zinc/08/95/38/275089538.db2.gz ZEDJVOZHIPGRGN-QMMMGPOBSA-N 1 0 348.384 2.128 20 5 EEBDRO Cc1nnc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000289589839 275130460 /nfs/dbraw/zinc/13/04/60/275130460.db2.gz BYWDIMVPVMSTFF-JTQLQIEISA-N 1 0 349.416 2.304 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289987381 275168147 /nfs/dbraw/zinc/16/81/47/275168147.db2.gz YEEZFVGRAXKSRV-RWMBFGLXSA-N 1 0 335.429 2.143 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000291727857 275334186 /nfs/dbraw/zinc/33/41/86/275334186.db2.gz AHTNIFZTPGYSKR-CYBMUJFWSA-N 1 0 345.403 2.239 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292121905 275379696 /nfs/dbraw/zinc/37/96/96/275379696.db2.gz GPXKVIRRPWMUPN-SFHVURJKSA-N 1 0 344.415 2.337 20 5 EEBDRO C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C1 ZINC000271042701 277109812 /nfs/dbraw/zinc/10/98/12/277109812.db2.gz NJVYHGQTLQURBD-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO CNC(=O)[C@@H](CCSC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352519387 277240103 /nfs/dbraw/zinc/24/01/03/277240103.db2.gz OHDYXQUIZXUBMH-WCQYABFASA-N 1 0 325.434 2.422 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000163928582 280198475 /nfs/dbraw/zinc/19/84/75/280198475.db2.gz UICJCTWIORMWAM-WCBMZHEXSA-N 1 0 343.225 2.482 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861654 294904879 /nfs/dbraw/zinc/90/48/79/294904879.db2.gz DUROEIABPCFHOU-VXGBXAGGSA-N 1 0 341.433 2.283 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000118941609 301646646 /nfs/dbraw/zinc/64/66/46/301646646.db2.gz UNIADLRNPIHSPY-UHFFFAOYSA-N 1 0 349.435 2.099 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413474694 312869099 /nfs/dbraw/zinc/86/90/99/312869099.db2.gz BYLZEKSWKVIMRU-UHFFFAOYSA-N 1 0 348.447 2.112 20 5 EEBDRO CCn1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000414211810 312983456 /nfs/dbraw/zinc/98/34/56/312983456.db2.gz QVXRFTKIUNCRLT-LBPRGKRZSA-N 1 0 331.376 2.318 20 5 EEBDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000414385507 313007764 /nfs/dbraw/zinc/00/77/64/313007764.db2.gz WXIABVBZEGMNHM-UHFFFAOYSA-N 1 0 344.350 2.214 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414950971 313114115 /nfs/dbraw/zinc/11/41/15/313114115.db2.gz PHWHNRGRPKPENA-IUCAKERBSA-N 1 0 344.318 2.458 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415661244 313163818 /nfs/dbraw/zinc/16/38/18/313163818.db2.gz QAJMBDCNZWUSTH-NWDGAFQWSA-N 1 0 334.376 2.067 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415661245 313164099 /nfs/dbraw/zinc/16/40/99/313164099.db2.gz QAJMBDCNZWUSTH-RYUDHWBXSA-N 1 0 334.376 2.067 20 5 EEBDRO Cc1c(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000418055439 313701414 /nfs/dbraw/zinc/70/14/14/313701414.db2.gz BJUIVLICQVJPQI-HNNXBMFYSA-N 1 0 334.420 2.481 20 5 EEBDRO [NH3+]C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000418628484 313863756 /nfs/dbraw/zinc/86/37/56/313863756.db2.gz VNPAXSDVGUULOI-HNNXBMFYSA-N 1 0 348.403 2.016 20 5 EEBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000419831574 313936646 /nfs/dbraw/zinc/93/66/46/313936646.db2.gz UVQIUDXSWRPHDU-GDBMZVCRSA-N 1 0 334.372 2.466 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000420436758 313958652 /nfs/dbraw/zinc/95/86/52/313958652.db2.gz OTMPJONQIJWQTC-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO CCn1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1=O ZINC000433056602 314743341 /nfs/dbraw/zinc/74/33/41/314743341.db2.gz ZMLRUIORNDLVEU-GJZGRUSLSA-N 1 0 345.403 2.246 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000440317942 315123778 /nfs/dbraw/zinc/12/37/78/315123778.db2.gz QUSSNFHCHAYTRA-LBPRGKRZSA-N 1 0 337.424 2.121 20 5 EEBDRO CC(C)(CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000523302643 316984821 /nfs/dbraw/zinc/98/48/21/316984821.db2.gz YXWWRFFRUZDIPQ-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000525785000 317076402 /nfs/dbraw/zinc/07/64/02/317076402.db2.gz SXXCFYBMOFVZPI-HNNXBMFYSA-N 1 0 348.378 2.171 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000530913022 317757528 /nfs/dbraw/zinc/75/75/28/317757528.db2.gz RWLYLMDJZQRBKF-ZIAGYGMSSA-N 1 0 335.404 2.135 20 5 EEBDRO CN1CCC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000539809099 318063487 /nfs/dbraw/zinc/06/34/87/318063487.db2.gz KCSYHPZNALYKBL-MRXNPFEDSA-N 1 0 333.388 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000548508578 318393332 /nfs/dbraw/zinc/39/33/32/318393332.db2.gz RIWHDIOHFADTQO-CYBMUJFWSA-N 1 0 329.404 2.389 20 5 EEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000548741221 318408741 /nfs/dbraw/zinc/40/87/41/318408741.db2.gz IAMNBRZAPWCVTF-NSHDSACASA-N 1 0 331.376 2.177 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000562837635 318937883 /nfs/dbraw/zinc/93/78/83/318937883.db2.gz SNNOIOLJDCIJNB-SJORKVTESA-N 1 0 346.431 2.448 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOC1CCCCC1 ZINC000563528980 319019685 /nfs/dbraw/zinc/01/96/85/319019685.db2.gz RFRIHFGFNABZGD-AWEZNQCLSA-N 1 0 338.404 2.273 20 5 EEBDRO CC(C)[C@@]1(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860854 319119460 /nfs/dbraw/zinc/11/94/60/319119460.db2.gz WEIORJNVQAUDDB-HUUCEWRRSA-N 1 0 326.418 2.393 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567908144 319433457 /nfs/dbraw/zinc/43/34/57/319433457.db2.gz YAKOKSKFERLWQC-ZFWWWQNUSA-N 1 0 346.431 2.007 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000568381508 319482928 /nfs/dbraw/zinc/48/29/28/319482928.db2.gz QRBRTOGWCZYXHR-KRWDZBQOSA-N 1 0 333.388 2.209 20 5 EEBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000568382243 319482968 /nfs/dbraw/zinc/48/29/68/319482968.db2.gz UNKZSTJAVZSVMA-DZGCQCFKSA-N 1 0 326.418 2.210 20 5 EEBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000574566927 320036799 /nfs/dbraw/zinc/03/67/99/320036799.db2.gz VAEOORBCOBYBIV-IJEWVQPXSA-N 1 0 338.404 2.129 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC2(CC[NH2+]C2)CC1 ZINC000574976672 320075772 /nfs/dbraw/zinc/07/57/72/320075772.db2.gz RSGIRFUXPDHVCI-UHFFFAOYSA-N 1 0 341.209 2.332 20 5 EEBDRO Cc1cccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577741363 320272952 /nfs/dbraw/zinc/27/29/52/320272952.db2.gz IBXLHKUHHWUUHK-MRXNPFEDSA-N 1 0 332.404 2.028 20 5 EEBDRO C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000183438617 323406866 /nfs/dbraw/zinc/40/68/66/323406866.db2.gz YRBJSSBGRVWHBJ-NSHDSACASA-N 1 0 349.366 2.234 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183468505 323407805 /nfs/dbraw/zinc/40/78/05/323407805.db2.gz RXPWVNLQSXJNFR-JGGQBBKZSA-N 1 0 335.404 2.190 20 5 EEBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000580303679 324034512 /nfs/dbraw/zinc/03/45/12/324034512.db2.gz LOJXNAGJYBPMRQ-UKRRQHHQSA-N 1 0 347.415 2.231 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000491353253 448003242 /nfs/dbraw/zinc/00/32/42/448003242.db2.gz UWSUPYMTPWBSGW-SREVYHEPSA-N 1 0 329.360 2.005 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000296102165 465081378 /nfs/dbraw/zinc/08/13/78/465081378.db2.gz UHLDSEJZFBJVDP-UHFFFAOYSA-N 1 0 338.371 2.188 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncn(C)n1 ZINC000358396678 465099424 /nfs/dbraw/zinc/09/94/24/465099424.db2.gz JAAIFJWBFNVTKA-GFCCVEGCSA-N 1 0 335.433 2.426 20 5 EEBDRO Cn1cc(CN2C[C@H](F)C[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000354859863 465196852 /nfs/dbraw/zinc/19/68/52/465196852.db2.gz CRWRJZHQZCWBNN-WBVHZDCISA-N 1 0 347.394 2.031 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000074137539 462561028 /nfs/dbraw/zinc/56/10/28/462561028.db2.gz KNSKRQGJHPBFTC-UHFFFAOYSA-N 1 0 348.447 2.051 20 5 EEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000045798217 462619158 /nfs/dbraw/zinc/61/91/58/462619158.db2.gz OCVHRUWJYQHBAZ-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000114140192 462628259 /nfs/dbraw/zinc/62/82/59/462628259.db2.gz WDQFGZIGUBIMCC-NSHDSACASA-N 1 0 326.372 2.022 20 5 EEBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075745813 462756015 /nfs/dbraw/zinc/75/60/15/462756015.db2.gz BAPHQTBYPSUEKM-QRTARXTBSA-N 1 0 330.388 2.030 20 5 EEBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075843360 462764370 /nfs/dbraw/zinc/76/43/70/462764370.db2.gz KWXIJOVVCKPDSZ-DQYPLSBCSA-N 1 0 348.378 2.374 20 5 EEBDRO C[N@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000065434355 462770190 /nfs/dbraw/zinc/77/01/90/462770190.db2.gz CWMAZDZDRLCYEO-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000075954772 462776730 /nfs/dbraw/zinc/77/67/30/462776730.db2.gz RZLUVCPMJJZMEU-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000065760321 462825156 /nfs/dbraw/zinc/82/51/56/462825156.db2.gz JMLSBHHQTIQDLK-ZNMIVQPWSA-N 1 0 349.431 2.456 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268838 462833140 /nfs/dbraw/zinc/83/31/40/462833140.db2.gz VLRAQTLTJMTWPU-AAEUAGOBSA-N 1 0 328.376 2.214 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000118852788 462857703 /nfs/dbraw/zinc/85/77/03/462857703.db2.gz UEUDUQPVQOUHCQ-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO CCc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000091669617 462897248 /nfs/dbraw/zinc/89/72/48/462897248.db2.gz YUBPTDNWNGJWEH-IUODEOHRSA-N 1 0 333.436 2.344 20 5 EEBDRO CN(C)C(=O)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505905 462953929 /nfs/dbraw/zinc/95/39/29/462953929.db2.gz ABUFCABIKRYRGC-KRWDZBQOSA-N 1 0 342.399 2.426 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000155985384 462965490 /nfs/dbraw/zinc/96/54/90/462965490.db2.gz NVGPBYFYUUAAHZ-CYBMUJFWSA-N 1 0 349.435 2.435 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000077315026 462967813 /nfs/dbraw/zinc/96/78/13/462967813.db2.gz DQZPANCYOGRYKR-HNNXBMFYSA-N 1 0 346.431 2.402 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)n1 ZINC000156019179 462969401 /nfs/dbraw/zinc/96/94/01/462969401.db2.gz UEEZLJJHCGMHTN-INIZCTEOSA-N 1 0 330.388 2.064 20 5 EEBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077523950 462999889 /nfs/dbraw/zinc/99/98/89/462999889.db2.gz LZLMSQZFBRDIOW-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO COc1ccc(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000067798226 463052058 /nfs/dbraw/zinc/05/20/58/463052058.db2.gz WOOHUFLWOSZJFH-UHFFFAOYSA-N 1 0 349.431 2.477 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000568408844 468333850 /nfs/dbraw/zinc/33/38/50/468333850.db2.gz BTENEDOKCZYUFM-DZGCQCFKSA-N 1 0 346.431 2.149 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000067908857 463066103 /nfs/dbraw/zinc/06/61/03/463066103.db2.gz YJNBXKZEPXQEMT-CQSZACIVSA-N 1 0 349.431 2.384 20 5 EEBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157441363 463132646 /nfs/dbraw/zinc/13/26/46/463132646.db2.gz GQWQANLKKLWKMO-CYBMUJFWSA-N 1 0 341.375 2.065 20 5 EEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053992123 463201408 /nfs/dbraw/zinc/20/14/08/463201408.db2.gz XREYZQXNJIELTD-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000160157141 463320967 /nfs/dbraw/zinc/32/09/67/463320967.db2.gz PXXPVFJYCBCWKK-UKRRQHHQSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000070036961 463369429 /nfs/dbraw/zinc/36/94/29/463369429.db2.gz MXACZRUCDRZSSA-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)ncn1 ZINC000105797641 463465487 /nfs/dbraw/zinc/46/54/87/463465487.db2.gz XMUOTGKDZXBJDH-HNNXBMFYSA-N 1 0 342.403 2.185 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162312251 463500190 /nfs/dbraw/zinc/50/01/90/463500190.db2.gz PADAJDSPYOVAEZ-ZMLRMANQSA-N 1 0 341.795 2.402 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000058273951 463564326 /nfs/dbraw/zinc/56/43/26/463564326.db2.gz JYMICZGNXLIJEQ-AWEZNQCLSA-N 1 0 344.415 2.398 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[NH+]1CCCC1 ZINC000073461869 463614223 /nfs/dbraw/zinc/61/42/23/463614223.db2.gz UKKZZITVPQMIME-UHFFFAOYSA-N 1 0 349.434 2.367 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000109806990 463651224 /nfs/dbraw/zinc/65/12/24/463651224.db2.gz GVLJZWFXETUBGX-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000170621025 463685617 /nfs/dbraw/zinc/68/56/17/463685617.db2.gz DWGVOGLUVBTXTI-LBPRGKRZSA-N 1 0 347.396 2.236 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000170712719 463698900 /nfs/dbraw/zinc/69/89/00/463698900.db2.gz DPQYBQKYHMCRES-OAHLLOKOSA-N 1 0 333.388 2.131 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000185415260 463819572 /nfs/dbraw/zinc/81/95/72/463819572.db2.gz DKRUZYZBELXCDN-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269176522 463899473 /nfs/dbraw/zinc/89/94/73/463899473.db2.gz HBOFWIOYZYRFOK-DZGCQCFKSA-N 1 0 346.431 2.313 20 5 EEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000171734526 463916939 /nfs/dbraw/zinc/91/69/39/463916939.db2.gz MHNGPJZOALZACO-UHFFFAOYSA-N 1 0 341.371 2.341 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194751726 463924009 /nfs/dbraw/zinc/92/40/09/463924009.db2.gz QYPYFSFFEPNVBC-OKILXGFUSA-N 1 0 335.404 2.084 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178970505 464027986 /nfs/dbraw/zinc/02/79/86/464027986.db2.gz VIGRJNFLZUAKKA-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971152 468387603 /nfs/dbraw/zinc/38/76/03/468387603.db2.gz RUIOKFSXEAHGSR-HZPDHXFCSA-N 1 0 334.372 2.413 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000269783485 464092480 /nfs/dbraw/zinc/09/24/80/464092480.db2.gz HDAQIDQQBYGMTD-KGLIPLIRSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000279688972 464128353 /nfs/dbraw/zinc/12/83/53/464128353.db2.gz FZMCGONZKUQPQJ-CQSZACIVSA-N 1 0 336.388 2.244 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172840287 464153605 /nfs/dbraw/zinc/15/36/05/464153605.db2.gz WSJAPDKXWZNNGC-LBPRGKRZSA-N 1 0 345.403 2.418 20 5 EEBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000263722144 464167379 /nfs/dbraw/zinc/16/73/79/464167379.db2.gz KAEVEVKELIWXEM-OKILXGFUSA-N 1 0 334.420 2.315 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000179978325 464217616 /nfs/dbraw/zinc/21/76/16/464217616.db2.gz DBCUIRNVXPPQGS-HIFRSBDPSA-N 1 0 336.388 2.476 20 5 EEBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280615670 464222299 /nfs/dbraw/zinc/22/22/99/464222299.db2.gz XYCDFHJHMMWBLQ-WMLDXEAASA-N 1 0 336.388 2.244 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292417132 464226491 /nfs/dbraw/zinc/22/64/91/464226491.db2.gz WFKBHXPPHBZZPY-SFHVURJKSA-N 1 0 346.431 2.265 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236981761 464249064 /nfs/dbraw/zinc/24/90/64/464249064.db2.gz AUTKPVQRRQUJNM-CQSZACIVSA-N 1 0 343.449 2.151 20 5 EEBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000271778590 464381781 /nfs/dbraw/zinc/38/17/81/464381781.db2.gz LDINLXZOLYSUEH-SWLSCSKDSA-N 1 0 340.330 2.171 20 5 EEBDRO CCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000264595378 464387460 /nfs/dbraw/zinc/38/74/60/464387460.db2.gz HABGZJCHYDQMEO-UHFFFAOYSA-N 1 0 337.424 2.265 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237851117 464389889 /nfs/dbraw/zinc/38/98/89/464389889.db2.gz WLTVSDIREBTQMN-AWEZNQCLSA-N 1 0 332.404 2.148 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c1 ZINC000237995365 464416611 /nfs/dbraw/zinc/41/66/11/464416611.db2.gz HRKLHMYUXGHWGM-UHFFFAOYSA-N 1 0 331.372 2.277 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000294236285 464441042 /nfs/dbraw/zinc/44/10/42/464441042.db2.gz TTWDJBKOZLDZLK-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285170668 464474926 /nfs/dbraw/zinc/47/49/26/464474926.db2.gz QPHORUCTAFSQTA-NSHDSACASA-N 1 0 337.376 2.101 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccnc1 ZINC000181655730 464518603 /nfs/dbraw/zinc/51/86/03/464518603.db2.gz OVFXCSDAMQYJTH-BLLLJJGKSA-N 1 0 326.356 2.446 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182205921 464599362 /nfs/dbraw/zinc/59/93/62/464599362.db2.gz IAASVWZIHJVDPE-ZDUSSCGKSA-N 1 0 349.387 2.270 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000265567867 464603849 /nfs/dbraw/zinc/60/38/49/464603849.db2.gz NHJHEQUAHUXUOM-UHFFFAOYSA-N 1 0 337.807 2.487 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568975907 468416556 /nfs/dbraw/zinc/41/65/56/468416556.db2.gz WIMUROAHQAYMIN-DOMZBBRYSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285668721 464651823 /nfs/dbraw/zinc/65/18/23/464651823.db2.gz FTNPENBLANFLTM-HUUCEWRRSA-N 1 0 346.431 2.116 20 5 EEBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000272584032 464668111 /nfs/dbraw/zinc/66/81/11/464668111.db2.gz GZWVXULBQIEBFX-DOMZBBRYSA-N 1 0 335.404 2.138 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000568974714 468415188 /nfs/dbraw/zinc/41/51/88/468415188.db2.gz PCUDPYAZPTXVKA-DLBZAZTESA-N 1 0 340.383 2.150 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593883602 468420170 /nfs/dbraw/zinc/42/01/70/468420170.db2.gz PHMNQHDCXUAYIT-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO C[C@@H]1CSCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248989973 464827821 /nfs/dbraw/zinc/82/78/21/464827821.db2.gz GZQZOTBZNWWYSW-GXTWGEPZSA-N 1 0 326.418 2.019 20 5 EEBDRO Cc1nc[nH]c1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000266944359 464880125 /nfs/dbraw/zinc/88/01/25/464880125.db2.gz CFRSUMISMWFDHN-UHFFFAOYSA-N 1 0 329.360 2.157 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238812 464987159 /nfs/dbraw/zinc/98/71/59/464987159.db2.gz OKPOBBSVYUZVHD-YGRLFVJLSA-N 1 0 328.372 2.289 20 5 EEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000359538769 465440738 /nfs/dbraw/zinc/44/07/38/465440738.db2.gz NGCRIGFSGHQRTR-MFKMUULPSA-N 1 0 348.359 2.148 20 5 EEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000359551105 465449849 /nfs/dbraw/zinc/44/98/49/465449849.db2.gz ZFNVNQRMJFFENQ-JQWIXIFHSA-N 1 0 348.359 2.148 20 5 EEBDRO CC[C@H](C)[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298636782 465455582 /nfs/dbraw/zinc/45/55/82/465455582.db2.gz WJXUPZRFOGRDTK-LBPRGKRZSA-N 1 0 339.392 2.025 20 5 EEBDRO COC1(CC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000339736152 465477228 /nfs/dbraw/zinc/47/72/28/465477228.db2.gz BMKQGNFBVYYRQZ-UHFFFAOYSA-N 1 0 347.415 2.312 20 5 EEBDRO CC1CC[NH+](C[C@H](O)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352360969 465518591 /nfs/dbraw/zinc/51/85/91/465518591.db2.gz PHMUZUYWLMZYJH-OAHLLOKOSA-N 1 0 344.415 2.648 20 5 EEBDRO COc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360075972 465529772 /nfs/dbraw/zinc/52/97/72/465529772.db2.gz OMVVWEGSLOGSDM-AWEZNQCLSA-N 1 0 335.404 2.282 20 5 EEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299055057 465579341 /nfs/dbraw/zinc/57/93/41/465579341.db2.gz TUUMWNOEGRGHMF-LLVKDONJSA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000356891858 465606225 /nfs/dbraw/zinc/60/62/25/465606225.db2.gz WNODDYSJFSRQPO-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000337865238 465639888 /nfs/dbraw/zinc/63/98/88/465639888.db2.gz KLOPJKFKMOFGJU-UHFFFAOYSA-N 1 0 329.356 2.009 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000361011776 465702567 /nfs/dbraw/zinc/70/25/67/465702567.db2.gz DBEICSIDDSLVTC-QWHCGFSZSA-N 1 0 339.465 2.136 20 5 EEBDRO COc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344609551 465720066 /nfs/dbraw/zinc/72/00/66/465720066.db2.gz GYBAHLVBFBLQAL-HNNXBMFYSA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353266113 465758998 /nfs/dbraw/zinc/75/89/98/465758998.db2.gz JCBXKMPZKQEHLI-OAHLLOKOSA-N 1 0 346.431 2.453 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111363 465771400 /nfs/dbraw/zinc/77/14/00/465771400.db2.gz QXWAMARJLIAKFG-UONOGXRCSA-N 1 0 333.388 2.111 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000338062124 465790733 /nfs/dbraw/zinc/79/07/33/465790733.db2.gz GEEPOXNVWICSNL-CZUORRHYSA-N 1 0 334.420 2.261 20 5 EEBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000555010695 468455114 /nfs/dbraw/zinc/45/51/14/468455114.db2.gz JMTVJLQAZSAGCE-KRWDZBQOSA-N 1 0 342.399 2.500 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591359339 468458683 /nfs/dbraw/zinc/45/86/83/468458683.db2.gz VVKUGLZCGBQWGQ-AWEZNQCLSA-N 1 0 332.404 2.236 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371626978 465908062 /nfs/dbraw/zinc/90/80/62/465908062.db2.gz HKRAXNYHQLRGGQ-AWEZNQCLSA-N 1 0 340.383 2.062 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591360723 468460097 /nfs/dbraw/zinc/46/00/97/468460097.db2.gz ZPWILTXOFMXVOA-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000331053933 465915313 /nfs/dbraw/zinc/91/53/13/465915313.db2.gz ZZEFTTLPEOCHSU-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000357379376 465990872 /nfs/dbraw/zinc/99/08/72/465990872.db2.gz GDHYDILWWVBHSD-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO Cn1ccnc1[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625070 466019420 /nfs/dbraw/zinc/01/94/20/466019420.db2.gz VKAWZHQRHCONBM-KRWDZBQOSA-N 1 0 341.415 2.269 20 5 EEBDRO C[NH+](C)CCN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301762728 466027541 /nfs/dbraw/zinc/02/75/41/466027541.db2.gz CBSNYJUQIIWZKE-UHFFFAOYSA-N 1 0 328.363 2.311 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000349254228 466039345 /nfs/dbraw/zinc/03/93/45/466039345.db2.gz SXVCCIXUKNORLR-HNNXBMFYSA-N 1 0 349.431 2.476 20 5 EEBDRO Cc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000353801653 466161053 /nfs/dbraw/zinc/16/10/53/466161053.db2.gz JWSRIZOTUUVXBB-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305696419 466426043 /nfs/dbraw/zinc/42/60/43/466426043.db2.gz CBFMAPYLKLJEGB-HZMBPMFUSA-N 1 0 332.360 2.409 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332188835 466435666 /nfs/dbraw/zinc/43/56/66/466435666.db2.gz BVRTWTZZASBNQV-STQMWFEESA-N 1 0 335.404 2.376 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000332264208 466477995 /nfs/dbraw/zinc/47/79/95/466477995.db2.gz OESNYSGSXZYQMV-QGZVFWFLSA-N 1 0 344.415 2.348 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354354854 466500677 /nfs/dbraw/zinc/50/06/77/466500677.db2.gz RNPGPXVJUJACQE-GXTWGEPZSA-N 1 0 334.420 2.263 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354420030 466555184 /nfs/dbraw/zinc/55/51/84/466555184.db2.gz DHCULPOVDQQXIY-UONOGXRCSA-N 1 0 335.404 2.305 20 5 EEBDRO Cn1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000408449648 466653369 /nfs/dbraw/zinc/65/33/69/466653369.db2.gz ATNMYDMLSABSQI-JSGCOSHPSA-N 1 0 332.404 2.022 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCO1 ZINC000423576972 466776952 /nfs/dbraw/zinc/77/69/52/466776952.db2.gz RQZMKKUZSSQARS-CHWSQXEVSA-N 1 0 325.434 2.044 20 5 EEBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423577708 466777674 /nfs/dbraw/zinc/77/76/74/466777674.db2.gz SMOBTLWKPFJCQX-NSHDSACASA-N 1 0 339.370 2.160 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000373604024 466864533 /nfs/dbraw/zinc/86/45/33/466864533.db2.gz NKNBXSDYESSFNS-GOSISDBHSA-N 1 0 347.415 2.375 20 5 EEBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411654482 466867780 /nfs/dbraw/zinc/86/77/80/466867780.db2.gz XVWHFNFJCGFRCH-BBRMVZONSA-N 1 0 335.404 2.406 20 5 EEBDRO [NH3+]C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000423943181 466922358 /nfs/dbraw/zinc/92/23/58/466922358.db2.gz QSNVSFVOODHGLV-INIZCTEOSA-N 1 0 334.420 2.421 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423969170 466931749 /nfs/dbraw/zinc/93/17/49/466931749.db2.gz VRXQNBVPXFTLDE-OAHLLOKOSA-N 1 0 344.371 2.096 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)[C@H]3CCCOC3)co2)cc1 ZINC000411998201 466963944 /nfs/dbraw/zinc/96/39/44/466963944.db2.gz VQMMAASILXTKEP-BBRMVZONSA-N 1 0 347.371 2.127 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000373932265 466973952 /nfs/dbraw/zinc/97/39/52/466973952.db2.gz GVJWDTMADCWGAV-KGLIPLIRSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709876 466975378 /nfs/dbraw/zinc/97/53/78/466975378.db2.gz RVTGAQBOCIGCGN-FUHWJXTLSA-N 1 0 346.475 2.361 20 5 EEBDRO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365888385 466978038 /nfs/dbraw/zinc/97/80/38/466978038.db2.gz XBFZPKWXAGQKCD-CQSZACIVSA-N 1 0 349.435 2.075 20 5 EEBDRO Cc1nn(CCc2nc(C3([NH3+])CCCCC3)no2)c(C)c1[N+](=O)[O-] ZINC000424347387 467032594 /nfs/dbraw/zinc/03/25/94/467032594.db2.gz RDDRKNTTYGMIAM-UHFFFAOYSA-N 1 0 334.380 2.152 20 5 EEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413134011 467176340 /nfs/dbraw/zinc/17/63/40/467176340.db2.gz KOTQLTLJPVRLSA-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000413207039 467190071 /nfs/dbraw/zinc/19/00/71/467190071.db2.gz LNONXIGWHIJZFL-DZGCQCFKSA-N 1 0 346.362 2.176 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000431920306 467202562 /nfs/dbraw/zinc/20/25/62/467202562.db2.gz SWVAANAGYLVITO-CQSZACIVSA-N 1 0 335.404 2.130 20 5 EEBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419803064 467252545 /nfs/dbraw/zinc/25/25/45/467252545.db2.gz BPYKCMNNBSSVGZ-HZPDHXFCSA-N 1 0 334.372 2.466 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420003120 467284570 /nfs/dbraw/zinc/28/45/70/467284570.db2.gz UPDSJKDSKOATAN-QGZVFWFLSA-N 1 0 337.420 2.151 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[NH2+]1 ZINC000420212843 467322732 /nfs/dbraw/zinc/32/27/32/467322732.db2.gz UGMRIXFVTNKIGE-CYBMUJFWSA-N 1 0 328.372 2.367 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429409452 467335359 /nfs/dbraw/zinc/33/53/59/467335359.db2.gz YDZXPANDBDSPFM-AXFHLTTASA-N 1 0 341.795 2.224 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382462247 467375977 /nfs/dbraw/zinc/37/59/77/467375977.db2.gz XBMWIBGYXUHDJV-GHMZBOCLSA-N 1 0 342.193 2.357 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000420464675 467416094 /nfs/dbraw/zinc/41/60/94/467416094.db2.gz KJKUGZDYBVASET-QWHCGFSZSA-N 1 0 341.433 2.007 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414504186 467416641 /nfs/dbraw/zinc/41/66/41/467416641.db2.gz XOPTUORHCHXKQX-ZYHUDNBSSA-N 1 0 340.401 2.130 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000420468630 467417838 /nfs/dbraw/zinc/41/78/38/467417838.db2.gz YFEDBRVPTSRNFS-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420635256 467439072 /nfs/dbraw/zinc/43/90/72/467439072.db2.gz LVJONJKSVATOTR-HNNXBMFYSA-N 1 0 346.431 2.361 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000420827522 467492707 /nfs/dbraw/zinc/49/27/07/467492707.db2.gz CFOREQVLMLXPFO-CYBMUJFWSA-N 1 0 340.811 2.484 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448596060 467595085 /nfs/dbraw/zinc/59/50/85/467595085.db2.gz JWUBVNUWGUYGKR-UHFFFAOYSA-N 1 0 343.387 2.201 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449198923 467623136 /nfs/dbraw/zinc/62/31/36/467623136.db2.gz ANCXFKNXYPFOMU-LJQANCHMSA-N 1 0 339.395 2.485 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449582319 467665921 /nfs/dbraw/zinc/66/59/21/467665921.db2.gz FRCJWYASSXXYLN-CHWSQXEVSA-N 1 0 345.403 2.266 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449635904 467673356 /nfs/dbraw/zinc/67/33/56/467673356.db2.gz YRKBSPILLLZTIG-LRVUVFPRSA-N 1 0 346.431 2.393 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449658589 467680060 /nfs/dbraw/zinc/68/00/60/467680060.db2.gz BEJFGDMBWSCGIU-BXKDBHETSA-N 1 0 345.371 2.189 20 5 EEBDRO CN(CC(=O)NCC[N@@H+]1CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000457050562 467740209 /nfs/dbraw/zinc/74/02/09/467740209.db2.gz GMZRCHBZHUWHES-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450351787 467833725 /nfs/dbraw/zinc/83/37/25/467833725.db2.gz ABSIFOOKRVNYAR-NEPJUHHUSA-N 1 0 330.388 2.468 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000493352099 467892773 /nfs/dbraw/zinc/89/27/73/467892773.db2.gz MIHMKKAZVVSWMZ-MVGZEHJDSA-N 1 0 347.415 2.225 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690146 467964787 /nfs/dbraw/zinc/96/47/87/467964787.db2.gz YQZAUMCCHXFPGZ-YLQAJVPDSA-N 1 0 335.404 2.371 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493768388 467978956 /nfs/dbraw/zinc/97/89/56/467978956.db2.gz OVWVHFQTGACFRO-RYUDHWBXSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000515651846 468000521 /nfs/dbraw/zinc/00/05/21/468000521.db2.gz WTYFBBXLFSQXHJ-HIFRSBDPSA-N 1 0 346.431 2.068 20 5 EEBDRO Nc1c(F)c(N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000518397623 468114633 /nfs/dbraw/zinc/11/46/33/468114633.db2.gz UOONCYVPIZFXLC-LBPRGKRZSA-N 1 0 338.383 2.007 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000490045161 468189736 /nfs/dbraw/zinc/18/97/36/468189736.db2.gz SINXSRXYWVMBHZ-CQDKDKBSSA-N 1 0 333.388 2.140 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197802 468509673 /nfs/dbraw/zinc/50/96/73/468509673.db2.gz PWEYRUIJNZYPHL-HUUCEWRRSA-N 1 0 347.415 2.279 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000556850405 468591266 /nfs/dbraw/zinc/59/12/66/468591266.db2.gz ONVWWAAMURCIRV-UHFFFAOYSA-N 1 0 329.360 2.061 20 5 EEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000582786402 468595948 /nfs/dbraw/zinc/59/59/48/468595948.db2.gz COUZYLBQJVUTMQ-INIZCTEOSA-N 1 0 346.431 2.068 20 5 EEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000594504395 468611537 /nfs/dbraw/zinc/61/15/37/468611537.db2.gz MJGQSIXWHHXCBQ-HZPDHXFCSA-N 1 0 342.399 2.438 20 5 EEBDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000594523788 468615134 /nfs/dbraw/zinc/61/51/34/468615134.db2.gz DEZVBZYVRCMGCI-LBPRGKRZSA-N 1 0 346.309 2.158 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594598711 468631446 /nfs/dbraw/zinc/63/14/46/468631446.db2.gz HQEZMEYAVPPOIY-CVEARBPZSA-N 1 0 332.404 2.383 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253547 468665488 /nfs/dbraw/zinc/66/54/88/468665488.db2.gz IUXOCXKWPGTCPF-GJZGRUSLSA-N 1 0 347.415 2.212 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255456 468666275 /nfs/dbraw/zinc/66/62/75/468666275.db2.gz PSQMWIVZOJPAPI-OLZOCXBDSA-N 1 0 349.435 2.122 20 5 EEBDRO Cc1c(Br)c(N2CC[NH2+]C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000600947559 468693484 /nfs/dbraw/zinc/69/34/84/468693484.db2.gz MKTHEAVCEDXNFO-SNVBAGLBSA-N 1 0 343.225 2.495 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554674 468729015 /nfs/dbraw/zinc/72/90/15/468729015.db2.gz LQNDFEKDGQGOLL-HOTGVXAUSA-N 1 0 331.416 2.376 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000595004079 468741858 /nfs/dbraw/zinc/74/18/58/468741858.db2.gz NELLHIGWYRBVSE-ZDUSSCGKSA-N 1 0 337.420 2.365 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000595007746 468741894 /nfs/dbraw/zinc/74/18/94/468741894.db2.gz JNDOURIGYFLRCQ-UONOGXRCSA-N 1 0 337.420 2.222 20 5 EEBDRO O=C(CCC1CC[NH2+]CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000571438487 468788603 /nfs/dbraw/zinc/78/86/03/468788603.db2.gz OYPRUWUNYWSAPW-UHFFFAOYSA-N 1 0 343.387 2.703 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000598342810 468837702 /nfs/dbraw/zinc/83/77/02/468837702.db2.gz NHPQLOPHTZUEEG-OAHLLOKOSA-N 1 0 346.431 2.409 20 5 EEBDRO COC(=O)c1cc(NC(=O)C[C@H](C)n2ccnc2)c(C)c([N+](=O)[O-])c1 ZINC000584295223 468839953 /nfs/dbraw/zinc/83/99/53/468839953.db2.gz VXOWCRPSDOJJEF-JTQLQIEISA-N 1 0 346.343 2.476 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(F)cc1F ZINC000584405749 468863741 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ISELXVKMLLAIQM-SNVBAGLBSA-N 1 0 348.432 2.469 20 5 EEBDRO Cn1cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718031 468972104 /nfs/dbraw/zinc/97/21/04/468972104.db2.gz IXDMODXSKCVYHV-MAUKXSAKSA-N 1 0 341.415 2.309 20 5 EEBDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000610539201 468997605 /nfs/dbraw/zinc/99/76/05/468997605.db2.gz FCNUFTCMLOOACF-MKBNYLNASA-N 1 0 343.387 2.173 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000593484866 469001328 /nfs/dbraw/zinc/00/13/28/469001328.db2.gz QQDKQGPLBYXORR-ZDUSSCGKSA-N 1 0 335.379 2.221 20 5 EEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602678018 469006181 /nfs/dbraw/zinc/00/61/81/469006181.db2.gz ZRNSGQMIJRNOJG-GUYCJALGSA-N 1 0 334.420 2.099 20 5 EEBDRO C[C@H](CC1CCC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610805600 469076582 /nfs/dbraw/zinc/07/65/82/469076582.db2.gz VVDHCGYGOGIQAH-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO 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2.230 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891759 527818704 /nfs/dbraw/zinc/81/87/04/527818704.db2.gz LFZKMBSFWFVMJS-AWEZNQCLSA-N 1 0 337.420 2.256 20 5 EEBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH+](C)CC1 ZINC000191634973 527907543 /nfs/dbraw/zinc/90/75/43/527907543.db2.gz RGTIARLGOJVCEG-UHFFFAOYSA-N 1 0 334.420 2.369 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000160030245 528279319 /nfs/dbraw/zinc/27/93/19/528279319.db2.gz FMMTVCKQTWCRIK-LLVKDONJSA-N 1 0 337.405 2.192 20 5 EEBDRO CC[NH2+]CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000161085332 528280969 /nfs/dbraw/zinc/28/09/69/528280969.db2.gz YLIPPZINIPSTHH-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO CC(C)[N@H+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811807 535009781 /nfs/dbraw/zinc/00/97/81/535009781.db2.gz HYWUXRKCECIYFE-UHFFFAOYSA-N 1 0 336.436 2.179 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000264208776 535524874 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BUPGOYQVKCLSNB-LLVKDONJSA-N 1 0 346.387 2.484 20 5 EEBDRO CCCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000765399930 577500319 /nfs/dbraw/zinc/50/03/19/577500319.db2.gz AKHSKBRVFXLEFE-ZDUSSCGKSA-N 1 0 343.449 2.432 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758267612 577620529 /nfs/dbraw/zinc/62/05/29/577620529.db2.gz JIEQKBFVTGJFIP-OAHLLOKOSA-N 1 0 336.461 2.086 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759113460 577637348 /nfs/dbraw/zinc/63/73/48/577637348.db2.gz DJFIVNSDCDJBFT-INIZCTEOSA-N 1 0 332.404 2.321 20 5 EEBDRO Cn1nccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000762777943 577707440 /nfs/dbraw/zinc/70/74/40/577707440.db2.gz BSSGIRBNMUMRDD-UHFFFAOYSA-N 1 0 329.404 2.129 20 5 EEBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000763069262 577714192 /nfs/dbraw/zinc/71/41/92/577714192.db2.gz UMTYBMUZFAGPFG-HZMBPMFUSA-N 1 0 332.360 2.456 20 5 EEBDRO COCCOc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749688266 577980060 /nfs/dbraw/zinc/98/00/60/577980060.db2.gz KLJAQEGCVOKGIR-KRWDZBQOSA-N 1 0 346.383 2.443 20 5 EEBDRO C[NH+](C)CC1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000825859012 607542552 /nfs/dbraw/zinc/54/25/52/607542552.db2.gz BRGHFHGMABLEIV-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC000891608452 676720192 /nfs/dbraw/zinc/72/01/92/676720192.db2.gz WRZZXCOVZGEPFY-UHFFFAOYSA-N 1 0 332.404 2.065 20 5 EEBDRO CC(C)[N@@H+]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000892311074 678696814 /nfs/dbraw/zinc/69/68/14/678696814.db2.gz WBNKBOOUHPNZSQ-UHFFFAOYSA-N 1 0 344.415 2.367 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001023083602 679117789 /nfs/dbraw/zinc/11/77/89/679117789.db2.gz PRVOIUPSDPDRHZ-OKILXGFUSA-N 1 0 328.372 2.282 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892626169 682002265 /nfs/dbraw/zinc/00/22/65/682002265.db2.gz NHFCMRUUBBJYHK-OAHLLOKOSA-N 1 0 344.415 2.223 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC000983522364 682770239 /nfs/dbraw/zinc/77/02/39/682770239.db2.gz MMEOFZMUSDOBDV-MQMHXKEQSA-N 1 0 344.371 2.189 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152894727 683578180 /nfs/dbraw/zinc/57/81/80/683578180.db2.gz YREBSDXYEZJZRV-OAGGEKHMSA-N 1 0 328.372 2.405 20 5 EEBDRO CC(=O)OC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000153221090 683897432 /nfs/dbraw/zinc/89/74/32/683897432.db2.gz QXSZUTICIFCMQU-LBPRGKRZSA-N 1 0 349.387 2.258 20 5 EEBDRO O=C(c1cnco1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001029413434 684353312 /nfs/dbraw/zinc/35/33/12/684353312.db2.gz KOKGMGPEEBNTMS-GASCZTMLSA-N 1 0 342.355 2.072 20 5 EEBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000895319357 684486751 /nfs/dbraw/zinc/48/67/51/684486751.db2.gz WZHBIQNFJJVRAE-OAHLLOKOSA-N 1 0 329.356 2.469 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001059650075 687713769 /nfs/dbraw/zinc/71/37/69/687713769.db2.gz WVUYIXRVAJAXGM-OKILXGFUSA-N 1 0 332.404 2.058 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459358 690564518 /nfs/dbraw/zinc/56/45/18/690564518.db2.gz LDGOPXIFHYSCMZ-CYBMUJFWSA-N 1 0 334.420 2.471 20 5 EEBDRO C[N@H+](Cc1cn(CCOc2ccccc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905793280 1189919287 /nfs/dbraw/zinc/91/92/87/1189919287.db2.gz ULDXGZCVIQFWFX-UHFFFAOYSA-N 1 0 333.392 2.496 20 5 EEBDRO COCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001128846243 1195800322 /nfs/dbraw/zinc/80/03/22/1195800322.db2.gz MUAOELRTNRTJMD-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000873076253 1198493236 /nfs/dbraw/zinc/49/32/36/1198493236.db2.gz DDJIEPRHFCTJJC-ZDUSSCGKSA-N 1 0 345.403 2.054 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000825665560 1198530074 /nfs/dbraw/zinc/53/00/74/1198530074.db2.gz SQLOAVFNPNVSSU-SJORKVTESA-N 1 0 347.415 2.105 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncsc1C1CC1 ZINC001133776858 1199034362 /nfs/dbraw/zinc/03/43/62/1199034362.db2.gz MUJOWSZPPIJCPI-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO CC(C)CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000825891207 1199710535 /nfs/dbraw/zinc/71/05/35/1199710535.db2.gz HGDKZRIOTTZFIW-QGZVFWFLSA-N 1 0 349.431 2.207 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000877292268 1199897165 /nfs/dbraw/zinc/89/71/65/1199897165.db2.gz FWXHULZJQFSQOP-MGCOHNPYSA-N 1 0 329.759 2.316 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001133193583 1200578157 /nfs/dbraw/zinc/57/81/57/1200578157.db2.gz WYPDBQUKMWXXHQ-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201411 1201420759 /nfs/dbraw/zinc/42/07/59/1201420759.db2.gz LISAPEDOXIUQCD-INIZCTEOSA-N 1 0 349.431 2.336 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CF)C1 ZINC000880297646 1201450033 /nfs/dbraw/zinc/45/00/33/1201450033.db2.gz OVEIGUBZBYBSSG-LLVKDONJSA-N 1 0 325.340 2.223 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203699 1201753686 /nfs/dbraw/zinc/75/36/86/1201753686.db2.gz WDJKSNUTAHGBSF-GDBMZVCRSA-N 1 0 329.404 2.318 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000884350946 1202299407 /nfs/dbraw/zinc/29/94/07/1202299407.db2.gz GGHKQMIDNOSFJJ-GHMZBOCLSA-N 1 0 331.294 2.469 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724490 1207449209 /nfs/dbraw/zinc/44/92/09/1207449209.db2.gz BPPYCZOYXQIDDN-BJJXKVORSA-N 1 0 332.404 2.090 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000933491156 1207779376 /nfs/dbraw/zinc/77/93/76/1207779376.db2.gz HYABWDIUCVWIPR-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000796335415 1213862004 /nfs/dbraw/zinc/86/20/04/1213862004.db2.gz SRAQOSDKHIMHDP-KWCYVHTRSA-N 1 0 348.321 2.121 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097203527 1243818767 /nfs/dbraw/zinc/81/87/67/1243818767.db2.gz NEFKXDQFZCFCGB-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000827505830 1248306355 /nfs/dbraw/zinc/30/63/55/1248306355.db2.gz BOHAVAXLYXZOIX-AWEZNQCLSA-N 1 0 335.404 2.088 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncc(Cl)c1 ZINC001135298111 1278314105 /nfs/dbraw/zinc/31/41/05/1278314105.db2.gz GGCZYMXWFOBSLT-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850461758 1277233800 /nfs/dbraw/zinc/23/38/00/1277233800.db2.gz LNTSAMQLNUZNKH-NEPJUHHUSA-N 1 0 337.376 2.485 20 5 EEBDRO CCCOCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199628788 1285744708 /nfs/dbraw/zinc/74/47/08/1285744708.db2.gz BKJNMRUISJVDPF-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO COc1nc(OC)c(O[C@@H](C)C[N+](C)(C)C)cc1Br ZINC001234920073 1305052637 /nfs/dbraw/zinc/05/26/37/1305052637.db2.gz BECPAHUBVSOSSN-VIFPVBQESA-N 1 0 334.234 2.335 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764248 1293910641 /nfs/dbraw/zinc/91/06/41/1293910641.db2.gz NEHLUQSFYJNFLA-NSHDSACASA-N 1 0 343.330 2.215 20 5 EEBDRO C[C@@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000857763858 1293910688 /nfs/dbraw/zinc/91/06/88/1293910688.db2.gz AALPBQYDDUUGTD-MNOVXSKESA-N 1 0 343.330 2.071 20 5 EEBDRO O=C(c1cc[nH]c1)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072765846 1296120105 /nfs/dbraw/zinc/12/01/05/1296120105.db2.gz WGPLIVBABGQDJS-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001218034276 1297552057 /nfs/dbraw/zinc/55/20/57/1297552057.db2.gz PCMSYTKXVXQQEK-RDDDGLTNSA-N 1 0 348.140 2.186 20 5 EEBDRO CC(C)(C[NH2+]C/C=C\Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541416 1299685223 /nfs/dbraw/zinc/68/52/23/1299685223.db2.gz DWXWTXUVMHGWMB-CRHJNNSXSA-N 1 0 343.855 2.259 20 5 EEBDRO Cc1ccnc(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001101890365 1299991199 /nfs/dbraw/zinc/99/11/99/1299991199.db2.gz YTFOTTRORPWJFX-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001102041051 1300185638 /nfs/dbraw/zinc/18/56/38/1300185638.db2.gz KUOBZAQLYHTLQZ-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCCOCc1ccccc1 ZINC001224767627 1300729831 /nfs/dbraw/zinc/72/98/31/1300729831.db2.gz RNEBQPNARZJTLL-GOSISDBHSA-N 1 0 338.468 2.374 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225662984 1301116235 /nfs/dbraw/zinc/11/62/35/1301116235.db2.gz WUOZAYDLBQOZRO-LLVKDONJSA-N 1 0 345.193 2.457 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001226953241 1301623134 /nfs/dbraw/zinc/62/31/34/1301623134.db2.gz WTPFNGRBOYJPFP-SDNTUTLCSA-N 1 0 334.372 2.449 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229946630 1302995134 /nfs/dbraw/zinc/99/51/34/1302995134.db2.gz QXZSECLGSKJWJE-VIFPVBQESA-N 1 0 348.140 2.282 20 5 EEBDRO C[C@]1(CO)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219473 1304042066 /nfs/dbraw/zinc/04/20/66/1304042066.db2.gz URJRNUQAVSOUQY-FXAWDEMLSA-N 1 0 337.423 2.348 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523566 1304078415 /nfs/dbraw/zinc/07/84/15/1304078415.db2.gz ADRHONPSMWBTIB-RYUDHWBXSA-N 1 0 338.383 2.087 20 5 EEBDRO Cc1nnsc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233819722 1304603853 /nfs/dbraw/zinc/60/38/53/1304603853.db2.gz VJTLYURCGFORMA-UHFFFAOYSA-N 1 0 349.416 2.007 20 5 EEBDRO COc1nc(OC)c(O[C@H](C)C[N+](C)(C)C)cc1Br ZINC001234920072 1305051324 /nfs/dbraw/zinc/05/13/24/1305051324.db2.gz BECPAHUBVSOSSN-SECBINFHSA-N 1 0 334.234 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000799336528 1305230537 /nfs/dbraw/zinc/23/05/37/1305230537.db2.gz NNTRUPOBHUXDJU-RBUKOAKNSA-N 1 0 342.395 2.442 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C1 ZINC001116147153 1305858615 /nfs/dbraw/zinc/85/86/15/1305858615.db2.gz KZLSDSHRSZKLQW-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001117957183 1306228523 /nfs/dbraw/zinc/22/85/23/1306228523.db2.gz YCELDBHSMYGQFT-MRVPVSSYSA-N 1 0 345.197 2.334 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC001122001837 1310196603 /nfs/dbraw/zinc/19/66/03/1310196603.db2.gz UKSPIARLHJLTHU-SECBINFHSA-N 1 0 329.809 2.073 20 5 EEBDRO [NH3+]CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001122107618 1310222522 /nfs/dbraw/zinc/22/25/22/1310222522.db2.gz AGJCVXRHAPGTPR-ZDUSSCGKSA-N 1 0 341.367 2.453 20 5 EEBDRO C[C@@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1[NH3+] ZINC001246565362 1310345202 /nfs/dbraw/zinc/34/52/02/1310345202.db2.gz CLIALIGVZCGPCL-MEBBXXQBSA-N 1 0 340.374 2.121 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[C@@H](F)[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246584319 1310349354 /nfs/dbraw/zinc/34/93/54/1310349354.db2.gz IYRRXTJXXKZBHV-GLQYFDAESA-N 1 0 325.384 2.296 20 5 EEBDRO COC1(Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C1 ZINC001247765142 1310717892 /nfs/dbraw/zinc/71/78/92/1310717892.db2.gz DQZJMYFLBLOVCH-UHFFFAOYSA-N 1 0 347.378 2.364 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839539818 1315213358 /nfs/dbraw/zinc/21/33/58/1315213358.db2.gz XWLSDYGIMNKEMX-DTTOXWODSA-N 1 0 345.443 2.446 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000839576430 1315217050 /nfs/dbraw/zinc/21/70/50/1315217050.db2.gz GCHJVSBSHRPBKH-MRXNPFEDSA-N 1 0 346.387 2.142 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000839621393 1315221402 /nfs/dbraw/zinc/22/14/02/1315221402.db2.gz FKDXAMLJDQLBIE-KRWDZBQOSA-N 1 0 328.372 2.298 20 5 EEBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000839686839 1315233834 /nfs/dbraw/zinc/23/38/34/1315233834.db2.gz WBBHXKKPVGPLDA-HUUCEWRRSA-N 1 0 333.388 2.073 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000840216447 1315328625 /nfs/dbraw/zinc/32/86/25/1315328625.db2.gz RFZXHBBODGZLGU-NSHDSACASA-N 1 0 325.340 2.347 20 5 EEBDRO [NH3+][C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000841161891 1315492991 /nfs/dbraw/zinc/49/29/91/1315492991.db2.gz PFBDUJVJHMECRK-SNVBAGLBSA-N 1 0 343.181 2.216 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854852 1315624534 /nfs/dbraw/zinc/62/45/34/1315624534.db2.gz FLWCYXCUYQNXNQ-WDEREUQCSA-N 1 0 326.784 2.317 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842895287 1315793842 /nfs/dbraw/zinc/79/38/42/1315793842.db2.gz MMWCCWKJDGVRIG-LLVKDONJSA-N 1 0 347.824 2.059 20 5 EEBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843079423 1315836658 /nfs/dbraw/zinc/83/66/58/1315836658.db2.gz ZXEQAXKGDTUTBK-WMZOPIPTSA-N 1 0 330.384 2.130 20 5 EEBDRO O=C(CC[NH2+]C[C@H](O)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000843083471 1315837474 /nfs/dbraw/zinc/83/74/74/1315837474.db2.gz IQGHRIMOZHMDMX-AWEZNQCLSA-N 1 0 335.385 2.308 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843338203 1315893102 /nfs/dbraw/zinc/89/31/02/1315893102.db2.gz AKJZEOZSRRNHJL-UHFFFAOYSA-N 1 0 343.786 2.388 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843355732 1315898676 /nfs/dbraw/zinc/89/86/76/1315898676.db2.gz IMVWPVPYFCBUOP-AWEZNQCLSA-N 1 0 328.800 2.150 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000843363044 1315901048 /nfs/dbraw/zinc/90/10/48/1315901048.db2.gz YAHKIOJVTAFGLE-OUAUKWLOSA-N 1 0 340.811 2.244 20 5 EEBDRO O=C(CCCn1cccc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001152026264 1316622890 /nfs/dbraw/zinc/62/28/90/1316622890.db2.gz HQJSMQDLZVZIIT-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO O=C(/C=C\c1ccco1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154218447 1316998282 /nfs/dbraw/zinc/99/82/82/1316998282.db2.gz OJIDMZKINPVBON-HJWRWDBZSA-N 1 0 329.356 2.497 20 5 EEBDRO Cc1noc(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154513118 1317174773 /nfs/dbraw/zinc/17/47/73/1317174773.db2.gz BGEGYDQSZAAWQU-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO O=C(CCc1ccco1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154545959 1317196520 /nfs/dbraw/zinc/19/65/20/1317196520.db2.gz VHLIYVZHWRJTSX-UHFFFAOYSA-N 1 0 331.372 2.417 20 5 EEBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccc([N+](=O)[O-])cn4)nc32)CC1 ZINC001251127372 1317422436 /nfs/dbraw/zinc/42/24/36/1317422436.db2.gz LWSZCTUDLBQDTO-UHFFFAOYSA-N 1 0 338.371 2.285 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251758762 1317499468 /nfs/dbraw/zinc/49/94/68/1317499468.db2.gz ZFIRTEIREPEPKU-KBPBESRZSA-N 1 0 335.404 2.135 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)nc21 ZINC001155385139 1317574981 /nfs/dbraw/zinc/57/49/81/1317574981.db2.gz WPGSDOSIPQEQAM-LBPRGKRZSA-N 1 0 345.403 2.432 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc2[nH]ccc21 ZINC001155598035 1317667448 /nfs/dbraw/zinc/66/74/48/1317667448.db2.gz MYCDASGPRNZXGV-BDJLRTHQSA-N 1 0 331.376 2.042 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001155624836 1317679384 /nfs/dbraw/zinc/67/93/84/1317679384.db2.gz JARBGMXSOWHQLB-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)cn1 ZINC001254184191 1318009085 /nfs/dbraw/zinc/00/90/85/1318009085.db2.gz KQKMODWTFURHIB-VOKGJARPSA-N 1 0 327.388 2.210 20 5 EEBDRO COc1cc(-n2cncc2C[NH2+]Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001156481952 1318032893 /nfs/dbraw/zinc/03/28/93/1318032893.db2.gz AFNABFVDQOTOPD-UHFFFAOYSA-N 1 0 339.355 2.474 20 5 EEBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1nccs1 ZINC001254575629 1318127996 /nfs/dbraw/zinc/12/79/96/1318127996.db2.gz RZVVFDKOOGLCLZ-LBPRGKRZSA-N 1 0 332.385 2.137 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCOc1ccc3c(c1)OCO3)C2 ZINC001254577676 1318129286 /nfs/dbraw/zinc/12/92/86/1318129286.db2.gz GIGZQCFVSSWADL-AWEZNQCLSA-N 1 0 342.351 2.459 20 5 EEBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(F)cc1 ZINC001254586976 1318134968 /nfs/dbraw/zinc/13/49/68/1318134968.db2.gz UOVXQZDJFOBVBN-INIZCTEOSA-N 1 0 343.358 2.107 20 5 EEBDRO COC[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(C)nc21 ZINC001254594317 1318136199 /nfs/dbraw/zinc/13/61/99/1318136199.db2.gz DKYTVRNEGUYUNP-DOTOQJQBSA-N 1 0 342.399 2.041 20 5 EEBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254594565 1318136630 /nfs/dbraw/zinc/13/66/30/1318136630.db2.gz GCAKLNSOTNGEAJ-MRXNPFEDSA-N 1 0 344.415 2.192 20 5 EEBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608370 1318142002 /nfs/dbraw/zinc/14/20/02/1318142002.db2.gz RBCDYPYBQJIBKU-ISGYEWALSA-N 1 0 330.384 2.336 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)nn2)ccc1F ZINC001157451756 1318647517 /nfs/dbraw/zinc/64/75/17/1318647517.db2.gz LWIKIWYBDYUKNN-MFKMUULPSA-N 1 0 335.314 2.303 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351948006 1318739703 /nfs/dbraw/zinc/73/97/03/1318739703.db2.gz BYLMMDUQFSRHQL-GUYCJALGSA-N 1 0 335.404 2.262 20 5 EEBDRO O=C(NCCC[NH2+]C/C=C/c1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767724 1318847393 /nfs/dbraw/zinc/84/73/93/1318847393.db2.gz SDNWIHNOWACOTA-QQMCDMLBSA-N 1 0 337.807 2.114 20 5 EEBDRO [NH3+]CCc1cnn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1 ZINC001158105717 1319018234 /nfs/dbraw/zinc/01/82/34/1319018234.db2.gz OAGWBMGRNFCZEU-UHFFFAOYSA-N 1 0 327.319 2.483 20 5 EEBDRO CC(C)n1nccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001158864146 1319476390 /nfs/dbraw/zinc/47/63/90/1319476390.db2.gz PUAOTLSJOJTULP-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO [NH3+]CCOCCOCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001159447342 1319808322 /nfs/dbraw/zinc/80/83/22/1319808322.db2.gz NPJKFUVUKFGHLW-UHFFFAOYSA-N 1 0 346.387 2.061 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001160131105 1320078082 /nfs/dbraw/zinc/07/80/82/1320078082.db2.gz GRZDLRSEEBVBLM-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160195915 1320095104 /nfs/dbraw/zinc/09/51/04/1320095104.db2.gz PJPVCKFBRZCGOF-GFCCVEGCSA-N 1 0 337.339 2.396 20 5 EEBDRO COCCC1(CNc2nc(C)cc(OC)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161503086 1320520090 /nfs/dbraw/zinc/52/00/90/1320520090.db2.gz ASGKMRMNZPMOLG-UHFFFAOYSA-N 1 0 338.408 2.125 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162777635 1320955106 /nfs/dbraw/zinc/95/51/06/1320955106.db2.gz DKTWIQWABJTSCX-VIFPVBQESA-N 1 0 341.327 2.135 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001163082507 1321030718 /nfs/dbraw/zinc/03/07/18/1321030718.db2.gz XVFXBHXXUILZBE-UHFFFAOYSA-N 1 0 333.360 2.298 20 5 EEBDRO COc1c(F)cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282616 1321086893 /nfs/dbraw/zinc/08/68/93/1321086893.db2.gz AKMAGUOUJOFOLT-ZBEGNZNMSA-N 1 0 339.367 2.313 20 5 EEBDRO Cc1c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163321526 1321096998 /nfs/dbraw/zinc/09/69/98/1321096998.db2.gz CMANMHKQDDGPLW-XHDPSFHLSA-N 1 0 336.348 2.134 20 5 EEBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC001163462546 1321131871 /nfs/dbraw/zinc/13/18/71/1321131871.db2.gz RYONYNYVTCAIQF-CQSZACIVSA-N 1 0 330.344 2.197 20 5 EEBDRO CC(=O)Nc1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001163649937 1321181124 /nfs/dbraw/zinc/18/11/24/1321181124.db2.gz HBNGUQBDHGRCBO-DLBZAZTESA-N 1 0 348.403 2.266 20 5 EEBDRO CN(C)c1ccc(NCC2([NH+](C)C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001164213636 1321320650 /nfs/dbraw/zinc/32/06/50/1321320650.db2.gz ZTJFJXAMLJUFPF-UHFFFAOYSA-N 1 0 335.452 2.099 20 5 EEBDRO COc1cc2ncnc(N3C[C@@H](C[NH3+])CC[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164469251 1321388816 /nfs/dbraw/zinc/38/88/16/1321388816.db2.gz ZDGNJXXLGWIZJN-GHMZBOCLSA-N 1 0 331.376 2.110 20 5 EEBDRO Cc1nc(Cl)nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001164603443 1321431665 /nfs/dbraw/zinc/43/16/65/1321431665.db2.gz JKVNYOKWZBGODO-CYBMUJFWSA-N 1 0 347.806 2.368 20 5 EEBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001165109314 1321456611 /nfs/dbraw/zinc/45/66/11/1321456611.db2.gz SZQTXTQNWPPUEE-ZDUSSCGKSA-N 1 0 338.383 2.209 20 5 EEBDRO Cc1c(C)c(N2CCC(C)([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001165135277 1321463459 /nfs/dbraw/zinc/46/34/59/1321463459.db2.gz VORDPXSPQOBWOL-UHFFFAOYSA-N 1 0 334.420 2.298 20 5 EEBDRO COc1cc2ncnc(N3CC[N@H+](C(C)C)[C@H](C)C3)c2cc1[N+](=O)[O-] ZINC001165199288 1321469950 /nfs/dbraw/zinc/46/99/50/1321469950.db2.gz OEEMUNGRWFFWSD-GFCCVEGCSA-N 1 0 345.403 2.466 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165303780 1321497125 /nfs/dbraw/zinc/49/71/25/1321497125.db2.gz KRQAIHDTYHFLII-NSHDSACASA-N 1 0 345.325 2.347 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1Cl ZINC001165430444 1321525177 /nfs/dbraw/zinc/52/51/77/1321525177.db2.gz NGISFGHEDDUMHO-VHSXEESVSA-N 1 0 328.775 2.465 20 5 EEBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1F)c1ncnc2c1CC[NH2+]CC2 ZINC001165512603 1321537780 /nfs/dbraw/zinc/53/77/80/1321537780.db2.gz AAUNZXHEXWVLPK-UHFFFAOYSA-N 1 0 346.366 2.154 20 5 EEBDRO [NH3+]CCc1nccn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001166351822 1321704634 /nfs/dbraw/zinc/70/46/34/1321704634.db2.gz TYISCJCYJPMCDK-UHFFFAOYSA-N 1 0 329.129 2.183 20 5 EEBDRO COC[C@H]([NH3+])C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000357133859 1323393770 /nfs/dbraw/zinc/39/37/70/1323393770.db2.gz ONKSKJUWLQQEOQ-HNNXBMFYSA-N 1 0 331.328 2.299 20 5 EEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609163195 1351871052 /nfs/dbraw/zinc/87/10/52/1351871052.db2.gz UJAANMCEXPDJFZ-TXEJJXNPSA-N 1 0 345.407 2.450 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001325681098 1333939945 /nfs/dbraw/zinc/93/99/45/1333939945.db2.gz ONQLGHNJZPABQD-UHFFFAOYSA-N 1 0 340.383 2.321 20 5 EEBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001609277233 1351919037 /nfs/dbraw/zinc/91/90/37/1351919037.db2.gz OMNATOHVJUZIBW-UHFFFAOYSA-N 1 0 328.376 2.395 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC001331680146 1335057303 /nfs/dbraw/zinc/05/73/03/1335057303.db2.gz MQRKZLBKRGPFJY-SMDDNHRTSA-N 1 0 330.388 2.245 20 5 EEBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001335932992 1336450654 /nfs/dbraw/zinc/45/06/54/1336450654.db2.gz BMXMQXKIULBBEQ-AWEZNQCLSA-N 1 0 349.362 2.175 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340877802 1337261239 /nfs/dbraw/zinc/26/12/39/1337261239.db2.gz HBZXWUOPJOQGBP-ZDUSSCGKSA-N 1 0 336.440 2.090 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341979838 1337306495 /nfs/dbraw/zinc/30/64/95/1337306495.db2.gz BYOCCDHTKIDTSE-NUJGCVRESA-N 1 0 329.400 2.443 20 5 EEBDRO CN(C)Cc1nnc(Cc2ccc([N+](=O)[O-])cc2Br)o1 ZINC001345530467 1337450332 /nfs/dbraw/zinc/45/03/32/1337450332.db2.gz ZRHOWDHUHJKJPB-UHFFFAOYSA-N 1 0 341.165 2.393 20 5 EEBDRO CC(C)[C@@H]1[NH2+]CC12CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001575519412 1343816106 /nfs/dbraw/zinc/81/61/06/1343816106.db2.gz CAHBYSPKNOBIQE-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001576017097 1343946479 /nfs/dbraw/zinc/94/64/79/1343946479.db2.gz NXXHBLPOEQWQHS-RDBSUJKOSA-N 1 0 334.420 2.467 20 5 EEBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001576885198 1344071192 /nfs/dbraw/zinc/07/11/92/1344071192.db2.gz CJHCXOILCPMAND-KWQFWETISA-N 1 0 343.177 2.399 20 5 EEBDRO COC(=O)Cc1ccc(NCc2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001578820962 1344306342 /nfs/dbraw/zinc/30/63/42/1344306342.db2.gz QGSWYWKOUYOXNO-UHFFFAOYSA-N 1 0 329.356 2.381 20 5 EEBDRO CO[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001578908838 1344317540 /nfs/dbraw/zinc/31/75/40/1344317540.db2.gz KLHCETPPXRJQCB-DOTOQJQBSA-N 1 0 335.404 2.090 20 5 EEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC001579073738 1344338100 /nfs/dbraw/zinc/33/81/00/1344338100.db2.gz VCBCKXASQZAAFA-UHFFFAOYSA-N 1 0 341.433 2.143 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001579576917 1344396784 /nfs/dbraw/zinc/39/67/84/1344396784.db2.gz BYCSPERZGYQBHW-ACJLOTCBSA-N 1 0 347.415 2.113 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001579576963 1344396973 /nfs/dbraw/zinc/39/69/73/1344396973.db2.gz DGENDLRBZFUCQD-CYBMUJFWSA-N 1 0 341.433 2.104 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccnc([C@@H]2CCC[NH2+]2)n1 ZINC001580570320 1344538930 /nfs/dbraw/zinc/53/89/30/1344538930.db2.gz YKFLBGGDTLWNMI-LBPRGKRZSA-N 1 0 345.334 2.130 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590261978 1349237997 /nfs/dbraw/zinc/23/79/97/1349237997.db2.gz RVFAPPPKPGPTRI-SNVBAGLBSA-N 1 0 349.370 2.058 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001603905452 1350799608 /nfs/dbraw/zinc/79/96/08/1350799608.db2.gz JVNGJPUVLTUYLU-LBPRGKRZSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001603905451 1350799673 /nfs/dbraw/zinc/79/96/73/1350799673.db2.gz JVNGJPUVLTUYLU-GFCCVEGCSA-N 1 0 345.407 2.307 20 5 EEBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000815593785 1368043842 /nfs/dbraw/zinc/04/38/42/1368043842.db2.gz XDSSAIMRYWYCTH-WBMJQRKESA-N 1 0 334.420 2.475 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110598417 1369129558 /nfs/dbraw/zinc/12/95/58/1369129558.db2.gz UNGOVXJMGSAVNS-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000842267602 1369914710 /nfs/dbraw/zinc/91/47/10/1369914710.db2.gz VATAERNNUYLLPI-JTQLQIEISA-N 1 0 341.795 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)n1 ZINC001103652525 1371048028 /nfs/dbraw/zinc/04/80/28/1371048028.db2.gz KQMRTQGANPRKTL-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC1(C)CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1CCO ZINC000780630944 1371168066 /nfs/dbraw/zinc/16/80/66/1371168066.db2.gz YARMATOUVZYSGU-UHFFFAOYSA-N 1 0 336.417 2.097 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CCC2)CC1 ZINC001111889501 1371289241 /nfs/dbraw/zinc/28/92/41/1371289241.db2.gz QSRLGWKDZVYJGG-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001118088175 1371775999 /nfs/dbraw/zinc/77/59/99/1371775999.db2.gz ILUCLLLZVUBJJA-HIFRSBDPSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000839522185 1372907957 /nfs/dbraw/zinc/90/79/57/1372907957.db2.gz PVOIPMBAQFCTCE-MRXNPFEDSA-N 1 0 337.376 2.245 20 5 EEBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)[N@@H+]1CCc2sccc2C1 ZINC001347905454 1372975913 /nfs/dbraw/zinc/97/59/13/1372975913.db2.gz GWTAQJJWYIKROW-SNVBAGLBSA-N 1 0 333.417 2.492 20 5 EEBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001356533758 1373201330 /nfs/dbraw/zinc/20/13/30/1373201330.db2.gz UBVHRMPEQNOBSF-INIZCTEOSA-N 1 0 344.367 2.327 20 5 EEBDRO CC[NH2+]C1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC001577816808 1403685757 /nfs/dbraw/zinc/68/57/57/1403685757.db2.gz KGNQZFPTNGOQRV-UHFFFAOYSA-N 1 0 341.799 2.436 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001578054588 1403715909 /nfs/dbraw/zinc/71/59/09/1403715909.db2.gz YQMDNMMWQAEOKB-CQSZACIVSA-N 1 0 349.387 2.034 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC001578423436 1403752696 /nfs/dbraw/zinc/75/26/96/1403752696.db2.gz WTMYXGRLVIBJPQ-UHFFFAOYSA-N 1 0 346.362 2.189 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580609131 1403862900 /nfs/dbraw/zinc/86/29/00/1403862900.db2.gz KFNBVLIFZMXADV-GRYCIOLGSA-N 1 0 328.372 2.194 20 5 EEBDRO [NH3+]CC1(F)CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164391245 718812473 /nfs/dbraw/zinc/81/24/73/718812473.db2.gz GPEZLAIVSFPDSR-UHFFFAOYSA-N 1 0 338.717 2.455 20 5 EEBDRO Nc1nc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC001167161077 757427056 /nfs/dbraw/zinc/42/70/56/757427056.db2.gz TZMUUDPLVUOTKC-UHFFFAOYSA-N 1 0 339.399 2.213 20 5 EEBDRO [NH3+]Cc1cccn1-c1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001167581565 760440569 /nfs/dbraw/zinc/44/05/69/760440569.db2.gz FSQOJJVLQYRVOH-UHFFFAOYSA-N 1 0 337.339 2.492 20 5 EEBDRO CC(C)(C)OC(=O)C1(Nc2ccc([N+](=O)[O-])cn2)CCC([NH3+])CC1 ZINC001167639509 760802406 /nfs/dbraw/zinc/80/24/06/760802406.db2.gz KDURTNKOTOZMNO-UHFFFAOYSA-N 1 0 336.392 2.384 20 5 EEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1[N+](=O)[O-] ZINC000173516122 765586677 /nfs/dbraw/zinc/58/66/77/765586677.db2.gz PHLXWJRNCIMKAZ-INIZCTEOSA-N 1 0 329.404 2.203 20 5 EEBDRO O=C(NCC1C[NH+](Cc2cccc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661760 770721876 /nfs/dbraw/zinc/72/18/76/770721876.db2.gz HVACXNIGNKRTQL-QZTJIDSGSA-N 1 0 339.395 2.053 20 5 EEBDRO Cc1nn(CN2CC[NH+](CC(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543026 774053206 /nfs/dbraw/zinc/05/32/06/774053206.db2.gz WVJHDFNZPQJPHZ-UHFFFAOYSA-N 1 0 331.420 2.484 20 5 EEBDRO Cc1cccc(CCC[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981137093 776581188 /nfs/dbraw/zinc/58/11/88/776581188.db2.gz MLFGJIDEOCKZPQ-QZTJIDSGSA-N 1 0 345.443 2.127 20 5 EEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000894046787 780459928 /nfs/dbraw/zinc/45/99/28/780459928.db2.gz QQXSICAUJVPCBE-CQSZACIVSA-N 1 0 335.404 2.416 20 5 EEBDRO COc1nccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1F ZINC000894078251 780506179 /nfs/dbraw/zinc/50/61/79/780506179.db2.gz ILFRKCBKKDGUBJ-UHFFFAOYSA-N 1 0 335.339 2.171 20 5 EEBDRO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993929 783450229 /nfs/dbraw/zinc/45/02/29/783450229.db2.gz IRYWMZGXTGQXNS-SECBINFHSA-N 1 0 348.140 2.282 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170874788 784889115 /nfs/dbraw/zinc/88/91/15/784889115.db2.gz FSDXOMTWMORANA-HUUCEWRRSA-N 1 0 329.356 2.311 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000818984234 785351034 /nfs/dbraw/zinc/35/10/34/785351034.db2.gz BGZIHIMJKBYCGG-QGZVFWFLSA-N 1 0 346.383 2.478 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000818968563 785363757 /nfs/dbraw/zinc/36/37/57/785363757.db2.gz UTBPCLKAENXCKB-MRXNPFEDSA-N 1 0 335.404 2.057 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CCCCC1 ZINC000819173228 785447222 /nfs/dbraw/zinc/44/72/22/785447222.db2.gz KZCSJGNLOGXXFL-YOEHRIQHSA-N 1 0 347.415 2.151 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107233223 786549510 /nfs/dbraw/zinc/54/95/10/786549510.db2.gz MRUDGLQMHWTLEP-SNAWJCMRSA-N 1 0 338.383 2.158 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1ncc(C)cc1[N+](=O)[O-] ZINC001107392108 787106755 /nfs/dbraw/zinc/10/67/55/787106755.db2.gz UOEOQXDESQWFEM-BQYQJAHWSA-N 1 0 349.435 2.113 20 5 EEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379641 788600991 /nfs/dbraw/zinc/60/09/91/788600991.db2.gz REHBZZNNXBOPNO-BBRMVZONSA-N 1 0 337.420 2.255 20 5 EEBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001146288880 791162959 /nfs/dbraw/zinc/16/29/59/791162959.db2.gz IOYGMINTUBWCHY-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO COc1nc(C)nc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001171302417 791787795 /nfs/dbraw/zinc/78/77/95/791787795.db2.gz YDXNMENKFUBYEA-UHFFFAOYSA-N 1 0 327.344 2.147 20 5 EEBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cnn1C(C)C ZINC001147307572 791793542 /nfs/dbraw/zinc/79/35/42/791793542.db2.gz LMPGTHMOEXTRBZ-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO CN(C)c1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001148948855 792802963 /nfs/dbraw/zinc/80/29/63/792802963.db2.gz RJKNAQJXCZLJGF-UHFFFAOYSA-N 1 0 348.428 2.242 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001089951076 795387271 /nfs/dbraw/zinc/38/72/71/795387271.db2.gz XKYBQYBNWYUCDF-UHFFFAOYSA-N 1 0 349.435 2.030 20 5 EEBDRO CC(C)[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000915208568 795736580 /nfs/dbraw/zinc/73/65/80/795736580.db2.gz GKWPEMZBJXNZDT-PXAZEXFGSA-N 1 0 348.403 2.296 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)CCC[NH+]1CCCC1 ZINC001094454813 796263975 /nfs/dbraw/zinc/26/39/75/796263975.db2.gz BKAZUQUTRUVKAW-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO O=C(C1CC1)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914341 797148367 /nfs/dbraw/zinc/14/83/67/797148367.db2.gz GSNATDZEIXFYTP-KRWDZBQOSA-N 1 0 343.427 2.396 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ccnnc3)CC2)c(F)c1 ZINC001173012783 797196511 /nfs/dbraw/zinc/19/65/11/797196511.db2.gz ZWHWPURTHABPDG-UHFFFAOYSA-N 1 0 349.341 2.422 20 5 EEBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177849 797277799 /nfs/dbraw/zinc/27/77/99/797277799.db2.gz FHEFUAMFHJVIHZ-GMTAPVOTSA-N 1 0 340.351 2.072 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)c2cccnc2)c1F ZINC001173180524 797278501 /nfs/dbraw/zinc/27/85/01/797278501.db2.gz RGQLKUPKVQOYMC-BXUZGUMPSA-N 1 0 349.362 2.392 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1-n1cnnn1 ZINC001173218162 797298851 /nfs/dbraw/zinc/29/88/51/797298851.db2.gz JKIYHKRGQZYIGW-CYBMUJFWSA-N 1 0 338.371 2.291 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C(=O)N(C)C)C1 ZINC001173219666 797300698 /nfs/dbraw/zinc/30/06/98/797300698.db2.gz OZEITFDGQICDHU-ZFWWWQNUSA-N 1 0 334.420 2.261 20 5 EEBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227119 797311022 /nfs/dbraw/zinc/31/10/22/797311022.db2.gz OFRBZEVGOBRFQD-CJNGLKHVSA-N 1 0 348.399 2.370 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001173210059 797314189 /nfs/dbraw/zinc/31/41/89/797314189.db2.gz HJAHQEGGTPQIDN-ZFWWWQNUSA-N 1 0 327.388 2.184 20 5 EEBDRO Cc1cnc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173238130 797323819 /nfs/dbraw/zinc/32/38/19/797323819.db2.gz NRBWATBTFCSFLM-HNNXBMFYSA-N 1 0 341.415 2.446 20 5 EEBDRO CCN(CCNc1nccc(C)c1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001106874244 797634758 /nfs/dbraw/zinc/63/47/58/797634758.db2.gz YNHFXALYPNVGNA-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CO[C@@H]1CC[N@H+](CCOc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326298 798525806 /nfs/dbraw/zinc/52/58/06/798525806.db2.gz KZSTXXATBKDWRA-SNVBAGLBSA-N 1 0 345.193 2.457 20 5 EEBDRO O=C(CCCn1cccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176795347 798566505 /nfs/dbraw/zinc/56/65/05/798566505.db2.gz GXYZCTSSOGWAHP-UHFFFAOYSA-N 1 0 344.415 2.473 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)C1=CCCC1 ZINC001178184488 799326763 /nfs/dbraw/zinc/32/67/63/799326763.db2.gz JBZQOOFTEXOZFG-UHFFFAOYSA-N 1 0 349.435 2.205 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000786813147 806908074 /nfs/dbraw/zinc/90/80/74/806908074.db2.gz BYQROIHOUPACGE-UKTHLTGXSA-N 1 0 338.429 2.413 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964641 803552188 /nfs/dbraw/zinc/55/21/88/803552188.db2.gz UTQNYFCUTFSYHH-MJBXVCDLSA-N 1 0 327.425 2.278 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1cccnc1 ZINC001168999896 803565095 /nfs/dbraw/zinc/56/50/95/803565095.db2.gz WBVPELBALYWKAT-HJWJTTGWSA-N 1 0 346.431 2.158 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169018022 803586475 /nfs/dbraw/zinc/58/64/75/803586475.db2.gz BIOFWDBLZKTWDB-KBPBESRZSA-N 1 0 327.425 2.375 20 5 EEBDRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022263 803588738 /nfs/dbraw/zinc/58/87/38/803588738.db2.gz RKALXKPOUXIZLG-KGLIPLIRSA-N 1 0 334.420 2.110 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001169048442 803594441 /nfs/dbraw/zinc/59/44/41/803594441.db2.gz VHANJWJWZBACNY-SUMWQHHRSA-N 1 0 349.406 2.465 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCCCO)CC1 ZINC000787406489 807118733 /nfs/dbraw/zinc/11/87/33/807118733.db2.gz ODAJASLSVANGHK-SSZFMOIBSA-N 1 0 333.432 2.388 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157265581 807196955 /nfs/dbraw/zinc/19/69/55/807196955.db2.gz JPVQEFLKCPAQLX-JGVFFNPUSA-N 1 0 332.191 2.222 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C(N)=O)c([N+](=O)[O-])c1 ZINC001170297719 809870677 /nfs/dbraw/zinc/87/06/77/809870677.db2.gz QXFNSXOQZHVSRU-LBPRGKRZSA-N 1 0 343.383 2.423 20 5 EEBDRO COCc1nn([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001170341353 809915322 /nfs/dbraw/zinc/91/53/22/809915322.db2.gz PJVSKKPOFPHNSF-NSHDSACASA-N 1 0 346.387 2.353 20 5 EEBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000793391506 810315087 /nfs/dbraw/zinc/31/50/87/810315087.db2.gz YTAPPWMRSDWVKQ-ZDUSSCGKSA-N 1 0 342.193 2.055 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2cc[nH]c2n1 ZINC001129973816 811055025 /nfs/dbraw/zinc/05/50/25/811055025.db2.gz OKQKSPMSAUQXCH-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO COc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccc1C ZINC001131036784 812314520 /nfs/dbraw/zinc/31/45/20/812314520.db2.gz ASJCURCPUIEEFH-UHFFFAOYSA-N 1 0 349.412 2.493 20 5 EEBDRO COc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1C ZINC001131037138 812314545 /nfs/dbraw/zinc/31/45/45/812314545.db2.gz KLQBLLIOZHXFHJ-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO Cc1cncc(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001131136055 812426495 /nfs/dbraw/zinc/42/64/95/812426495.db2.gz SUHCMBVVIRLELG-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2ncccc2o1 ZINC001131443407 812835457 /nfs/dbraw/zinc/83/54/57/812835457.db2.gz NJCZXBRBSCMEHU-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO Cc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1Br ZINC001170573849 813020427 /nfs/dbraw/zinc/02/04/27/813020427.db2.gz LDNRPJHEEICGKS-NOZJJQNGSA-N 1 0 344.209 2.455 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175089409 231382065 /nfs/dbraw/zinc/38/20/65/231382065.db2.gz JDFCPCOTGIDXIM-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000338020246 282206130 /nfs/dbraw/zinc/20/61/30/282206130.db2.gz RHDMAOMNFFUNHL-LSDHHAIUSA-N 1 0 332.408 2.460 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655643 232343415 /nfs/dbraw/zinc/34/34/15/232343415.db2.gz CWXZKKWMRUQLQU-JOYOIKCWSA-N 1 0 331.294 2.409 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000066137364 215015166 /nfs/dbraw/zinc/01/51/66/215015166.db2.gz YEBQPBAPPCCWRN-SNVBAGLBSA-N 1 0 338.364 2.272 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000067118772 215114074 /nfs/dbraw/zinc/11/40/74/215114074.db2.gz DYYQJAAHKALOHO-JTQLQIEISA-N 1 0 349.840 2.257 20 5 EEBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000068192347 215289283 /nfs/dbraw/zinc/28/92/83/215289283.db2.gz KZBVCMHDUOFPEJ-UHFFFAOYSA-N 1 0 332.404 2.335 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000181576339 234239985 /nfs/dbraw/zinc/23/99/85/234239985.db2.gz YCHSFYGAJCPZEX-GFCCVEGCSA-N 1 0 327.768 2.201 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000193524368 291190578 /nfs/dbraw/zinc/19/05/78/291190578.db2.gz SCTIQEGNOGGRQS-OCCSQVGLSA-N 1 0 332.404 2.065 20 5 EEBDRO COc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000411085900 238339559 /nfs/dbraw/zinc/33/95/59/238339559.db2.gz MYCXNZGLYNRACL-UHFFFAOYSA-N 1 0 339.367 2.347 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000072871523 216322424 /nfs/dbraw/zinc/32/24/24/216322424.db2.gz ASPCUPPXEMJLNM-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684496 283852974 /nfs/dbraw/zinc/85/29/74/283852974.db2.gz AJYWHPXRQGKVKN-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCC[C@H]1O ZINC000426228444 241238879 /nfs/dbraw/zinc/23/88/79/241238879.db2.gz RFDXSGSPHBPARK-ZIAGYGMSSA-N 1 0 332.360 2.380 20 5 EEBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443511904 242122318 /nfs/dbraw/zinc/12/23/18/242122318.db2.gz RTNYXUPNYMSBLJ-UHFFFAOYSA-N 1 0 328.438 2.379 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000446040536 242150792 /nfs/dbraw/zinc/15/07/92/242150792.db2.gz ASZIMBNMQOOYJX-UHFFFAOYSA-N 1 0 335.404 2.086 20 5 EEBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447573911 242291415 /nfs/dbraw/zinc/29/14/15/242291415.db2.gz JOHIQEKWSKLQFR-NHCYSSNCSA-N 1 0 336.314 2.178 20 5 EEBDRO Cc1c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000261818927 244693452 /nfs/dbraw/zinc/69/34/52/244693452.db2.gz HBOQTQDHHHQDSP-VIFPVBQESA-N 1 0 332.385 2.428 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000265150996 247251285 /nfs/dbraw/zinc/25/12/85/247251285.db2.gz STFMGVXFKOZBBP-HOCLYGCPSA-N 1 0 349.387 2.185 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000265158715 247256774 /nfs/dbraw/zinc/25/67/74/247256774.db2.gz VIXULSJJRDNRBV-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265282026 247369509 /nfs/dbraw/zinc/36/95/09/247369509.db2.gz ZLFUEVWPONMXFD-DOTOQJQBSA-N 1 0 347.415 2.109 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266021782 248038046 /nfs/dbraw/zinc/03/80/46/248038046.db2.gz QGMUQALPGLGOOR-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO Cc1cnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000266181142 248153544 /nfs/dbraw/zinc/15/35/44/248153544.db2.gz CDCARAQRBGABLW-IYBDPMFKSA-N 1 0 347.463 2.293 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429635778 296400822 /nfs/dbraw/zinc/40/08/22/296400822.db2.gz PXXPVFJYCBCWKK-HIFRSBDPSA-N 1 0 346.431 2.394 20 5 EEBDRO COc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000195435821 256011976 /nfs/dbraw/zinc/01/19/76/256011976.db2.gz OTPUOYIFNMQSKK-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117783652 221088595 /nfs/dbraw/zinc/08/85/95/221088595.db2.gz SEAGSOHXDCIDSH-CYBMUJFWSA-N 1 0 325.796 2.343 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268096567 256112429 /nfs/dbraw/zinc/11/24/29/256112429.db2.gz MHICBFWHZAEIOL-JTQLQIEISA-N 1 0 328.800 2.388 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268140437 256117906 /nfs/dbraw/zinc/11/79/06/256117906.db2.gz KEKSSDATBGCSBG-GXFFZTMASA-N 1 0 334.376 2.061 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000272975569 256254122 /nfs/dbraw/zinc/25/41/22/256254122.db2.gz LGDUAXAZHMSOGJ-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1cc(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000274306956 256372820 /nfs/dbraw/zinc/37/28/20/256372820.db2.gz LCJIYOXHVFJKML-ZFWWWQNUSA-N 1 0 343.424 2.220 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000276358725 256424860 /nfs/dbraw/zinc/42/48/60/256424860.db2.gz LUBJTZGAKYOSGH-UHFFFAOYSA-N 1 0 338.364 2.307 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356822096 141030903 /nfs/dbraw/zinc/03/09/03/141030903.db2.gz LLSSQMVDSSPHCF-OLZOCXBDSA-N 1 0 349.435 2.169 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000165972340 143820836 /nfs/dbraw/zinc/82/08/36/143820836.db2.gz RQMNKLQVZJQHQN-QPUJVOFHSA-N 1 0 342.193 2.167 20 5 EEBDRO CC[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000128814384 292347514 /nfs/dbraw/zinc/34/75/14/292347514.db2.gz PESBBECAUWPMFK-UHFFFAOYSA-N 1 0 330.388 2.219 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000096625447 159243908 /nfs/dbraw/zinc/24/39/08/159243908.db2.gz HETOQONQWTURTH-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188484284 160124378 /nfs/dbraw/zinc/12/43/78/160124378.db2.gz USZSCKOYPXAMTN-YVEFUNNKSA-N 1 0 344.415 2.266 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195343573 160211473 /nfs/dbraw/zinc/21/14/73/160211473.db2.gz VITQIAQLGYTPDV-RYUDHWBXSA-N 1 0 325.413 2.031 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245395341 160231133 /nfs/dbraw/zinc/23/11/33/160231133.db2.gz HNIKWDRUFFWLPO-CZUORRHYSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245449847 160236360 /nfs/dbraw/zinc/23/63/60/160236360.db2.gz OBOFJWURNKSDPT-CJNGLKHVSA-N 1 0 334.420 2.338 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247972689 160334797 /nfs/dbraw/zinc/33/47/97/160334797.db2.gz HMLUDYPYGCZJIM-DOTOQJQBSA-N 1 0 331.416 2.470 20 5 EEBDRO CCOC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248373099 160342431 /nfs/dbraw/zinc/34/24/31/160342431.db2.gz GGLVZAUHKZEUGD-HUUCEWRRSA-N 1 0 338.404 2.083 20 5 EEBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000342588245 161076095 /nfs/dbraw/zinc/07/60/95/161076095.db2.gz CMVZBEUZNXKYGP-NSHDSACASA-N 1 0 331.376 2.144 20 5 EEBDRO Cn1c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000342815828 161092882 /nfs/dbraw/zinc/09/28/82/161092882.db2.gz YTPOHNHCOCBYSB-UHFFFAOYSA-N 1 0 334.351 2.064 20 5 EEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@@H]1C ZINC000342850818 161095706 /nfs/dbraw/zinc/09/57/06/161095706.db2.gz CBAUJZLYYJOQPV-WDEREUQCSA-N 1 0 338.383 2.309 20 5 EEBDRO CCOc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000343650068 161154672 /nfs/dbraw/zinc/15/46/72/161154672.db2.gz WXWPFTQUQGTNEI-UHFFFAOYSA-N 1 0 335.404 2.488 20 5 EEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-n2cnnn2)cc1 ZINC000344088201 161197443 /nfs/dbraw/zinc/19/74/43/161197443.db2.gz KIZFZTOMVZHTAL-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO C[N@H+](CCc1ccccc1O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344163802 161203721 /nfs/dbraw/zinc/20/37/21/161203721.db2.gz NMVWVFWCGFNVMP-HNNXBMFYSA-N 1 0 346.383 2.215 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344408809 161224482 /nfs/dbraw/zinc/22/44/82/161224482.db2.gz BFJMQQOOTUVGDO-OKILXGFUSA-N 1 0 335.404 2.305 20 5 EEBDRO CC[NH+]1C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344408807 161224695 /nfs/dbraw/zinc/22/46/95/161224695.db2.gz BFJMQQOOTUVGDO-KBPBESRZSA-N 1 0 335.404 2.305 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)[C@H]3CCOC3)cs2)c1 ZINC000344482960 161231982 /nfs/dbraw/zinc/23/19/82/161231982.db2.gz KOXANVLUKBNQMV-SWLSCSKDSA-N 1 0 349.412 2.205 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000344737068 161241455 /nfs/dbraw/zinc/24/14/55/161241455.db2.gz XZKYOTXINJTZGD-OAHLLOKOSA-N 1 0 335.404 2.210 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000344864179 161251875 /nfs/dbraw/zinc/25/18/75/161251875.db2.gz LQGVKORNUZISHI-MQZKNQHPSA-N 1 0 347.415 2.224 20 5 EEBDRO Cn1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000345003927 161263365 /nfs/dbraw/zinc/26/33/65/161263365.db2.gz GNMXGQXMRYQHIG-UHFFFAOYSA-N 1 0 330.388 2.185 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000345318003 161291274 /nfs/dbraw/zinc/29/12/74/161291274.db2.gz LJSTYAPYKCNZCM-YGRLFVJLSA-N 1 0 344.371 2.061 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854289 161337606 /nfs/dbraw/zinc/33/76/06/161337606.db2.gz MXFBCZGFNKVLSQ-NWDGAFQWSA-N 1 0 343.330 2.201 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000346326226 161363263 /nfs/dbraw/zinc/36/32/63/161363263.db2.gz KDEVABHUHBRQRJ-XJKCOSOUSA-N 1 0 334.420 2.384 20 5 EEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)[C@H]1[C@H]3C2 ZINC000352679034 162242041 /nfs/dbraw/zinc/24/20/41/162242041.db2.gz YXSNGCYAZBRICK-VCMWWZGJSA-N 1 0 345.399 2.197 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359876919 164189703 /nfs/dbraw/zinc/18/97/03/164189703.db2.gz PTKQCCHFOBNVID-INIZCTEOSA-N 1 0 338.404 2.259 20 5 EEBDRO COC(=O)CCCN1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000360950425 164406501 /nfs/dbraw/zinc/40/65/01/164406501.db2.gz CFUDKPWWEDNFGI-UHFFFAOYSA-N 1 0 349.431 2.145 20 5 EEBDRO CCOc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111361 164428669 /nfs/dbraw/zinc/42/86/69/164428669.db2.gz QXWAMARJLIAKFG-KBPBESRZSA-N 1 0 333.388 2.111 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371825830 166680920 /nfs/dbraw/zinc/68/09/20/166680920.db2.gz ZQBDZVVROXVNRW-HNNXBMFYSA-N 1 0 335.452 2.416 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378223632 167643693 /nfs/dbraw/zinc/64/36/93/167643693.db2.gz HMBFQLKFYDZYCK-HNNXBMFYSA-N 1 0 346.431 2.387 20 5 EEBDRO COC[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000272722581 269012906 /nfs/dbraw/zinc/01/29/06/269012906.db2.gz XTOOQEQGMXQDTJ-CQSZACIVSA-N 1 0 337.401 2.469 20 5 EEBDRO Cc1cc(NCCC(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782947 269019697 /nfs/dbraw/zinc/01/96/97/269019697.db2.gz ASVXCNXUWQVSNW-UHFFFAOYSA-N 1 0 344.371 2.112 20 5 EEBDRO COCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000275510040 269120310 /nfs/dbraw/zinc/12/03/10/269120310.db2.gz SKZFZSPBPWGQJV-UHFFFAOYSA-N 1 0 326.393 2.213 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000275539786 269122475 /nfs/dbraw/zinc/12/24/75/269122475.db2.gz ZYHMXMQKSDRZFR-UHFFFAOYSA-N 1 0 332.404 2.400 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277473079 269158486 /nfs/dbraw/zinc/15/84/86/269158486.db2.gz QDNXKNFSBLTXBZ-CQSZACIVSA-N 1 0 332.404 2.383 20 5 EEBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000277678780 269171129 /nfs/dbraw/zinc/17/11/29/269171129.db2.gz GFXJZLYMJISLOO-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3nonc32)CCCO1 ZINC000277794923 269183661 /nfs/dbraw/zinc/18/36/61/269183661.db2.gz XKZMCXBTODWOJE-LLVKDONJSA-N 1 0 335.364 2.044 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279361753 269274162 /nfs/dbraw/zinc/27/41/62/269274162.db2.gz GECWEKVSGOFBLA-NSHDSACASA-N 1 0 338.383 2.310 20 5 EEBDRO CC1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006348696 273906201 /nfs/dbraw/zinc/90/62/01/273906201.db2.gz UMJACRNLPHSIMC-UHFFFAOYSA-N 1 0 341.433 2.041 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188731074 274032740 /nfs/dbraw/zinc/03/27/40/274032740.db2.gz BDOKVVGFGWFVJV-LBPRGKRZSA-N 1 0 335.404 2.374 20 5 EEBDRO CO[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C[NH3+])C1 ZINC000415478803 274079627 /nfs/dbraw/zinc/07/96/27/274079627.db2.gz DRJNYWBBKDOINU-OLZOCXBDSA-N 1 0 336.392 2.182 20 5 EEBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000271804623 274155456 /nfs/dbraw/zinc/15/54/56/274155456.db2.gz XGRNITYMQUFESW-UHFFFAOYSA-N 1 0 344.371 2.132 20 5 EEBDRO CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275101926 274222787 /nfs/dbraw/zinc/22/27/87/274222787.db2.gz KDCHDDFJYKLNAP-RYUDHWBXSA-N 1 0 341.458 2.308 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)C1CC1 ZINC000278396649 274351089 /nfs/dbraw/zinc/35/10/89/274351089.db2.gz GHXCYMKKNLZBMC-QGZVFWFLSA-N 1 0 345.443 2.370 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285794278 274793735 /nfs/dbraw/zinc/79/37/35/274793735.db2.gz FODBJJWXCVWWAB-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286509090 274879105 /nfs/dbraw/zinc/87/91/05/274879105.db2.gz YVWCFVYTPZODTQ-CHWSQXEVSA-N 1 0 348.403 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2ncccc12 ZINC000366850158 275036400 /nfs/dbraw/zinc/03/64/00/275036400.db2.gz LBKSLRXCMHSLLT-CYBMUJFWSA-N 1 0 328.372 2.054 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288527075 275067086 /nfs/dbraw/zinc/06/70/86/275067086.db2.gz UIRHESCOUUSXHP-GXTWGEPZSA-N 1 0 333.388 2.302 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000288750137 275083780 /nfs/dbraw/zinc/08/37/80/275083780.db2.gz HYVSUMXVTCPETK-OAHLLOKOSA-N 1 0 332.356 2.376 20 5 EEBDRO Cc1nnc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000289589843 275130392 /nfs/dbraw/zinc/13/03/92/275130392.db2.gz BYWDIMVPVMSTFF-SNVBAGLBSA-N 1 0 349.416 2.304 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CCCC1 ZINC000289658095 275136480 /nfs/dbraw/zinc/13/64/80/275136480.db2.gz VUEOOSWFFDOENH-MRXNPFEDSA-N 1 0 335.404 2.373 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1OC ZINC000290069864 275176618 /nfs/dbraw/zinc/17/66/18/275176618.db2.gz FZXOLFWCEAAEQD-DYEKYZERSA-N 1 0 326.418 2.469 20 5 EEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000293729189 293280964 /nfs/dbraw/zinc/28/09/64/293280964.db2.gz TVOYFFVSMVYOEJ-UHFFFAOYSA-N 1 0 334.420 2.442 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000293824372 293303993 /nfs/dbraw/zinc/30/39/93/293303993.db2.gz QQWFKSALESARFA-VIFPVBQESA-N 1 0 344.209 2.285 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000302518378 294957543 /nfs/dbraw/zinc/95/75/43/294957543.db2.gz WJMRAGKUIGPRHG-UHFFFAOYSA-N 1 0 331.376 2.164 20 5 EEBDRO COc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346258672 295285083 /nfs/dbraw/zinc/28/50/83/295285083.db2.gz IQOHHUKRDYWKMP-UMVBOHGHSA-N 1 0 347.415 2.406 20 5 EEBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000120712907 298726269 /nfs/dbraw/zinc/72/62/69/298726269.db2.gz WSDXRQKXKMJIDY-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261793897 301192461 /nfs/dbraw/zinc/19/24/61/301192461.db2.gz LFNWBIKIAPMZMQ-CHWSQXEVSA-N 1 0 341.433 2.102 20 5 EEBDRO Cc1cccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000366434156 301949937 /nfs/dbraw/zinc/94/99/37/301949937.db2.gz GWLVXGCZWGLIQG-VNQPRFMTSA-N 1 0 347.415 2.227 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237996891 303420936 /nfs/dbraw/zinc/42/09/36/303420936.db2.gz KJXBOCUWYJQNKL-KOLCDFICSA-N 1 0 347.824 2.044 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413200961 312819478 /nfs/dbraw/zinc/81/94/78/312819478.db2.gz VQXYHSYJYSVPFW-OAHLLOKOSA-N 1 0 330.388 2.300 20 5 EEBDRO CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417951163 313664662 /nfs/dbraw/zinc/66/46/62/313664662.db2.gz WUELQZOBZBRTNS-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421004628 314020885 /nfs/dbraw/zinc/02/08/85/314020885.db2.gz OKKHSYOOOWSONX-KGLIPLIRSA-N 1 0 334.420 2.256 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421015967 314026269 /nfs/dbraw/zinc/02/62/69/314026269.db2.gz LWPMYTSWSPWWKG-CQSZACIVSA-N 1 0 335.404 2.042 20 5 EEBDRO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000430920246 314591003 /nfs/dbraw/zinc/59/10/03/314591003.db2.gz OBNTVBAORZPPEJ-OAHLLOKOSA-N 1 0 334.420 2.306 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440077437 315110607 /nfs/dbraw/zinc/11/06/07/315110607.db2.gz MCYRLXMRWBEILK-ZDUSSCGKSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444270814 315286373 /nfs/dbraw/zinc/28/63/73/315286373.db2.gz PRWGCSVPWDNAKI-ZYHUDNBSSA-N 1 0 341.795 2.274 20 5 EEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643575 315314198 /nfs/dbraw/zinc/31/41/98/315314198.db2.gz KNVQWBNZNIARGA-JTQLQIEISA-N 1 0 333.392 2.254 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCCC1 ZINC000505756194 316368392 /nfs/dbraw/zinc/36/83/92/316368392.db2.gz KIZJTMORAHFYHO-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CC(C)COC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515188087 316468683 /nfs/dbraw/zinc/46/86/83/316468683.db2.gz OTKBNLAWLWIXBL-CQSZACIVSA-N 1 0 330.812 2.414 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000524644169 317021441 /nfs/dbraw/zinc/02/14/41/317021441.db2.gz SZVIGNXJBBIFOQ-UHFFFAOYSA-N 1 0 349.387 2.174 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000534443307 317945318 /nfs/dbraw/zinc/94/53/18/317945318.db2.gz FCNXYHSXYVKDLH-MRXNPFEDSA-N 1 0 346.431 2.468 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000537952962 318030639 /nfs/dbraw/zinc/03/06/39/318030639.db2.gz ZVOPMYOXKMHAIT-XQAQDONZSA-N 1 0 333.388 2.469 20 5 EEBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000546856442 318269023 /nfs/dbraw/zinc/26/90/23/318269023.db2.gz TVVJTECQVNULQE-UHFFFAOYSA-N 1 0 326.356 2.254 20 5 EEBDRO COc1ccc(CC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000562314950 318868506 /nfs/dbraw/zinc/86/85/06/318868506.db2.gz AFENGHMEHWEANR-UHFFFAOYSA-N 1 0 349.431 2.384 20 5 EEBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000562991718 318954419 /nfs/dbraw/zinc/95/44/19/318954419.db2.gz HIRRPUVRQNCXDL-KEYYUXOJSA-N 1 0 338.404 2.128 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000563581149 319025161 /nfs/dbraw/zinc/02/51/61/319025161.db2.gz HQPQQBHSMXGKMZ-CQSZACIVSA-N 1 0 349.435 2.086 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564792212 319110386 /nfs/dbraw/zinc/11/03/86/319110386.db2.gz CXWZZDMRXHCJFA-WRSAYESZSA-N 1 0 344.367 2.446 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000564860017 319119397 /nfs/dbraw/zinc/11/93/97/319119397.db2.gz MCJVQCQESFCWOU-AAEUAGOBSA-N 1 0 330.331 2.360 20 5 EEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1[NH+](C)C ZINC000565230564 319164839 /nfs/dbraw/zinc/16/48/39/319164839.db2.gz SVMRSHYTXUESDM-STQMWFEESA-N 1 0 340.449 2.259 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3sc(Cl)cc32)c1 ZINC000567161622 319353519 /nfs/dbraw/zinc/35/35/19/319353519.db2.gz GGFPZKPSSZMEOO-ONGXEEELSA-N 1 0 342.808 2.144 20 5 EEBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571670388 319776750 /nfs/dbraw/zinc/77/67/50/319776750.db2.gz BIPKCQVGLSIXFG-IAQYHMDHSA-N 1 0 349.387 2.333 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000572149607 319820076 /nfs/dbraw/zinc/82/00/76/319820076.db2.gz LWEIWERICMWSDT-BBRMVZONSA-N 1 0 330.388 2.164 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000575376080 320103559 /nfs/dbraw/zinc/10/35/59/320103559.db2.gz RRHJDHMUDAUQNZ-TVQRCGJNSA-N 1 0 343.305 2.438 20 5 EEBDRO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000575427631 320105551 /nfs/dbraw/zinc/10/55/51/320105551.db2.gz WZQDMLCNUOGIEP-UHFFFAOYSA-N 1 0 346.431 2.144 20 5 EEBDRO [NH3+][C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000575734135 320108957 /nfs/dbraw/zinc/10/89/57/320108957.db2.gz CCDDDGUZUOXPIZ-MRXNPFEDSA-N 1 0 340.383 2.363 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000578337802 320308956 /nfs/dbraw/zinc/30/89/56/320308956.db2.gz RUAIWBBAXPRMCC-CYBMUJFWSA-N 1 0 340.811 2.334 20 5 EEBDRO CC[NH+]1CCC(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000578484070 320316668 /nfs/dbraw/zinc/31/66/68/320316668.db2.gz BAPZAJSFXBHHFL-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000182319152 323372349 /nfs/dbraw/zinc/37/23/49/323372349.db2.gz QYPUFYFHURDNFF-GOEBONIOSA-N 1 0 333.388 2.031 20 5 EEBDRO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000580194583 324013597 /nfs/dbraw/zinc/01/35/97/324013597.db2.gz VFTFYZREMGOCCE-UWVGGRQHSA-N 1 0 347.362 2.463 20 5 EEBDRO COc1ccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)cc1[N+](=O)[O-] ZINC000581779135 324320712 /nfs/dbraw/zinc/32/07/12/324320712.db2.gz OEEPTTHEQPGCSF-UHFFFAOYSA-N 1 0 341.371 2.483 20 5 EEBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000581911409 324338805 /nfs/dbraw/zinc/33/88/05/324338805.db2.gz SSWODUPLNHDZRJ-AWEZNQCLSA-N 1 0 339.392 2.193 20 5 EEBDRO COC1CC[NH+](C2(CNc3ncc([N+](=O)[O-])cn3)CCCC2)CC1 ZINC000354578056 465034961 /nfs/dbraw/zinc/03/49/61/465034961.db2.gz QGJHEHZWUPKZQN-UHFFFAOYSA-N 1 0 335.408 2.220 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000339059702 465058617 /nfs/dbraw/zinc/05/86/17/465058617.db2.gz NYOLJJKPEVEPOT-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000296165389 465101074 /nfs/dbraw/zinc/10/10/74/465101074.db2.gz KSDVQQWQLCYBCJ-YJBOKZPZSA-N 1 0 347.415 2.277 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000351501638 465188316 /nfs/dbraw/zinc/18/83/16/465188316.db2.gz JILNQYYVHMRLHW-NVXWUHKLSA-N 1 0 335.404 2.373 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000341962898 465279617 /nfs/dbraw/zinc/27/96/17/465279617.db2.gz VJUNSOMTIRALNT-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000590566494 468274085 /nfs/dbraw/zinc/27/40/85/468274085.db2.gz KODPOZQSZFSVDK-CJNGLKHVSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590566471 468274243 /nfs/dbraw/zinc/27/42/43/468274243.db2.gz JVUQWEFVFYNRQJ-MEDUHNTESA-N 1 0 330.388 2.170 20 5 EEBDRO CN1CCO[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000152747779 462576610 /nfs/dbraw/zinc/57/66/10/462576610.db2.gz AVXINONQMQJVCW-HOTGVXAUSA-N 1 0 347.415 2.047 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000074326564 462587059 /nfs/dbraw/zinc/58/70/59/462587059.db2.gz XRGGEKDTZDPNQN-HNNXBMFYSA-N 1 0 347.415 2.164 20 5 EEBDRO NC(=O)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000063516007 462650570 /nfs/dbraw/zinc/65/05/70/462650570.db2.gz OMMHMZDHIRDEAF-UHFFFAOYSA-N 1 0 346.431 2.144 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000063665469 462661032 /nfs/dbraw/zinc/66/10/32/462661032.db2.gz BNISKMIILBSUSZ-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO O=[N+]([O-])c1cccnc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089643988 462702934 /nfs/dbraw/zinc/70/29/34/462702934.db2.gz RXMANGRYBOYDFI-HUUCEWRRSA-N 1 0 328.372 2.037 20 5 EEBDRO Cc1nc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089645236 462703526 /nfs/dbraw/zinc/70/35/26/462703526.db2.gz MBSPYIHKLPQORN-CVEARBPZSA-N 1 0 342.399 2.346 20 5 EEBDRO CC1CC[NH+](CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000153965847 462714402 /nfs/dbraw/zinc/71/44/02/462714402.db2.gz PNTBCIISWFKNMM-HNNXBMFYSA-N 1 0 333.436 2.208 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000075621211 462741473 /nfs/dbraw/zinc/74/14/73/462741473.db2.gz OQZSHGRKECKFLY-AWEZNQCLSA-N 1 0 347.415 2.227 20 5 EEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(OC)c1 ZINC000075645679 462744792 /nfs/dbraw/zinc/74/47/92/462744792.db2.gz KMDAJWGFZZEVDY-BBRMVZONSA-N 1 0 348.403 2.244 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089932619 462746560 /nfs/dbraw/zinc/74/65/60/462746560.db2.gz ZDITZVNBGYSTKY-ZIAGYGMSSA-N 1 0 335.404 2.325 20 5 EEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000090394400 462787718 /nfs/dbraw/zinc/78/77/18/462787718.db2.gz OYXUBTGRZMDHMS-STQMWFEESA-N 1 0 345.403 2.307 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000065868068 462834943 /nfs/dbraw/zinc/83/49/43/462834943.db2.gz LFQRGEXAKLZVCI-GASCZTMLSA-N 1 0 348.447 2.491 20 5 EEBDRO Cc1c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049992644 462983218 /nfs/dbraw/zinc/98/32/18/462983218.db2.gz KQMJVNKJXKKVMT-GFCCVEGCSA-N 1 0 348.359 2.122 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000068231227 463108854 /nfs/dbraw/zinc/10/88/54/463108854.db2.gz AUUMPPOVDDCWEZ-UHFFFAOYSA-N 1 0 337.424 2.265 20 5 EEBDRO C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000078689169 463141819 /nfs/dbraw/zinc/14/18/19/463141819.db2.gz KLFKBCQDDBOLJW-CQSZACIVSA-N 1 0 329.404 2.429 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069803475 463328055 /nfs/dbraw/zinc/32/80/55/463328055.db2.gz UMXOTARKKICIKQ-MRXNPFEDSA-N 1 0 349.431 2.018 20 5 EEBDRO [NH3+]CC[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000070171346 463374425 /nfs/dbraw/zinc/37/44/25/463374425.db2.gz AHENLQKINJONNY-SECBINFHSA-N 1 0 329.198 2.318 20 5 EEBDRO [NH3+]Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000160915232 463381242 /nfs/dbraw/zinc/38/12/42/463381242.db2.gz LDLDNDPMNACPPW-UHFFFAOYSA-N 1 0 345.355 2.330 20 5 EEBDRO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000081597700 463467718 /nfs/dbraw/zinc/46/77/18/463467718.db2.gz UEZDWAYDQNAVQE-UHFFFAOYSA-N 1 0 346.431 2.144 20 5 EEBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162181644 463490527 /nfs/dbraw/zinc/49/05/27/463490527.db2.gz VCNZPXZCLKLZBT-LLVKDONJSA-N 1 0 329.784 2.183 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000162368358 463504019 /nfs/dbraw/zinc/50/40/19/463504019.db2.gz ZOGKDFBHFUOBDA-TZMCWYRMSA-N 1 0 335.404 2.467 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109805868 463651195 /nfs/dbraw/zinc/65/11/95/463651195.db2.gz YZXCCALQMZPQSK-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO Cc1nc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000268427515 463740322 /nfs/dbraw/zinc/74/03/22/463740322.db2.gz AJPQETBTJGBTDI-INIZCTEOSA-N 1 0 342.399 2.129 20 5 EEBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193896383 463756156 /nfs/dbraw/zinc/75/61/56/463756156.db2.gz PPJABOGLQRBWLE-NWDGAFQWSA-N 1 0 348.403 2.078 20 5 EEBDRO CC(C)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005689 463828730 /nfs/dbraw/zinc/82/87/30/463828730.db2.gz QRBNGPXQGZWUHP-ZDUSSCGKSA-N 1 0 343.449 2.287 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000194380038 463850222 /nfs/dbraw/zinc/85/02/22/463850222.db2.gz KIPITETUHZQISG-ZIAGYGMSSA-N 1 0 335.404 2.132 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287313940 463867322 /nfs/dbraw/zinc/86/73/22/463867322.db2.gz WMENRAXSRMXYTO-VIFPVBQESA-N 1 0 331.825 2.407 20 5 EEBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000261993870 463919748 /nfs/dbraw/zinc/91/97/48/463919748.db2.gz NDQBVCDYPMRILP-ZDUSSCGKSA-N 1 0 334.420 2.243 20 5 EEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262099680 463947174 /nfs/dbraw/zinc/94/71/74/463947174.db2.gz ZFIFHJKTWGRBCK-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000186258893 463962560 /nfs/dbraw/zinc/96/25/60/463962560.db2.gz WVTISUKXNZTYJI-UHFFFAOYSA-N 1 0 345.403 2.367 20 5 EEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262249644 463982461 /nfs/dbraw/zinc/98/24/61/463982461.db2.gz SLMUIJMPVLCNPA-UHFFFAOYSA-N 1 0 331.376 2.028 20 5 EEBDRO C[N@H+](CCCCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278821179 463995436 /nfs/dbraw/zinc/99/54/36/463995436.db2.gz HOUHNAKGBUYTSE-UHFFFAOYSA-N 1 0 329.784 2.281 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc([N+](=O)[O-])c1 ZINC000262461346 464028554 /nfs/dbraw/zinc/02/85/54/464028554.db2.gz WFWUDZRBQSDVSU-VQISRLSMSA-N 1 0 347.371 2.241 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283931112 464047089 /nfs/dbraw/zinc/04/70/89/464047089.db2.gz FADQQXLPFGOOSU-CYBMUJFWSA-N 1 0 342.399 2.486 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000263744157 464175500 /nfs/dbraw/zinc/17/55/00/464175500.db2.gz OWFVCVHBCWENMU-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292333077 464199754 /nfs/dbraw/zinc/19/97/54/464199754.db2.gz JYKPWNWYXUYEHJ-CQSZACIVSA-N 1 0 347.415 2.306 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263856327 464218327 /nfs/dbraw/zinc/21/83/27/464218327.db2.gz WJHTXOQJAGIKCI-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179993258 464220314 /nfs/dbraw/zinc/22/03/14/464220314.db2.gz JJOWKADMRJQBNM-UHFFFAOYSA-N 1 0 343.330 2.412 20 5 EEBDRO COC[C@@](C)([NH3+])CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270219131 464223123 /nfs/dbraw/zinc/22/31/23/464223123.db2.gz MRDTVNORKKNPPD-INIZCTEOSA-N 1 0 331.376 2.136 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292457014 464238108 /nfs/dbraw/zinc/23/81/08/464238108.db2.gz YMEYUEPOBVZDLB-CQSZACIVSA-N 1 0 346.431 2.340 20 5 EEBDRO NC(=O)CCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271082109 464279750 /nfs/dbraw/zinc/27/97/50/464279750.db2.gz FPOZOFLDCATMTJ-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000281009864 464297756 /nfs/dbraw/zinc/29/77/56/464297756.db2.gz LOOZJEHGLCWPFE-OAHLLOKOSA-N 1 0 347.415 2.415 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271443708 464312915 /nfs/dbraw/zinc/31/29/15/464312915.db2.gz VVTFKHUQKOLTLZ-UWVGGRQHSA-N 1 0 347.462 2.345 20 5 EEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284747462 464321887 /nfs/dbraw/zinc/32/18/87/464321887.db2.gz XFIJYLVMAOFEJQ-HUUCEWRRSA-N 1 0 325.796 2.153 20 5 EEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284747454 464322520 /nfs/dbraw/zinc/32/25/20/464322520.db2.gz XFIJYLVMAOFEJQ-CABCVRRESA-N 1 0 325.796 2.153 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271667205 464357430 /nfs/dbraw/zinc/35/74/30/464357430.db2.gz FOZCHNPGBJYRME-DZGCQCFKSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1C ZINC000237667710 464361487 /nfs/dbraw/zinc/36/14/87/464361487.db2.gz FGRGQAVPFGIXDZ-UHFFFAOYSA-N 1 0 341.433 2.152 20 5 EEBDRO O=C(CCN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264576973 464380309 /nfs/dbraw/zinc/38/03/09/464380309.db2.gz IQUVYGRTOJAOIE-HNNXBMFYSA-N 1 0 346.431 2.484 20 5 EEBDRO C[C@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC[NH2+]1 ZINC000237790462 464380274 /nfs/dbraw/zinc/38/02/74/464380274.db2.gz JIRIRVIZAPHDNB-GOSISDBHSA-N 1 0 347.415 2.497 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264626217 464399931 /nfs/dbraw/zinc/39/99/31/464399931.db2.gz KNAREBIRVODMIH-LBPRGKRZSA-N 1 0 335.429 2.287 20 5 EEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000264701456 464429808 /nfs/dbraw/zinc/42/98/08/464429808.db2.gz FBHPOKQFMUJDID-LLVKDONJSA-N 1 0 332.326 2.271 20 5 EEBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987685 464437497 /nfs/dbraw/zinc/43/74/97/464437497.db2.gz FUMBPIBUBOPANM-ZOBUZTSGSA-N 1 0 336.388 2.340 20 5 EEBDRO CC[N@@H+](Cc1ccccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174730330 464443767 /nfs/dbraw/zinc/44/37/67/464443767.db2.gz ASYNEILLDGKWSJ-AWEZNQCLSA-N 1 0 338.795 2.328 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC000294302976 464459263 /nfs/dbraw/zinc/45/92/63/464459263.db2.gz GNLJFRRSZXINLG-UHFFFAOYSA-N 1 0 333.388 2.160 20 5 EEBDRO COC(=O)c1cnc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000189326792 464476650 /nfs/dbraw/zinc/47/66/50/464476650.db2.gz SWVDHYZVXLPXOT-CYBMUJFWSA-N 1 0 336.392 2.087 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000189349718 464482068 /nfs/dbraw/zinc/48/20/68/464482068.db2.gz NNMWYQAXZROAQT-LBPRGKRZSA-N 1 0 336.392 2.166 20 5 EEBDRO CCN1CC[NH+](C[C@@H](C)CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000189447781 464506333 /nfs/dbraw/zinc/50/63/33/464506333.db2.gz MSJKQEFKMWKMFM-AWEZNQCLSA-N 1 0 336.436 2.289 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285295347 464514201 /nfs/dbraw/zinc/51/42/01/464514201.db2.gz PCKFBCLHEHXAHP-HUUCEWRRSA-N 1 0 347.415 2.065 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000272246198 464534379 /nfs/dbraw/zinc/53/43/79/464534379.db2.gz LFRRKQWOCZUMSQ-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285362856 464537987 /nfs/dbraw/zinc/53/79/87/464537987.db2.gz BPBPNIWWOHZVEU-PBWFPOADSA-N 1 0 332.404 2.090 20 5 EEBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CO ZINC000294616068 464554812 /nfs/dbraw/zinc/55/48/12/464554812.db2.gz OKELFBXGXPLLOY-VHSXEESVSA-N 1 0 336.310 2.177 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281857782 464611728 /nfs/dbraw/zinc/61/17/28/464611728.db2.gz YUNVWWQNCZVEMN-UONOGXRCSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182288253 464620712 /nfs/dbraw/zinc/62/07/12/464620712.db2.gz WHGWUOFHXJKUIT-KBPBESRZSA-N 1 0 331.372 2.423 20 5 EEBDRO CC[C@H](CSC)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182383820 464640946 /nfs/dbraw/zinc/64/09/46/464640946.db2.gz CILNNGYMHAGBKT-OLZOCXBDSA-N 1 0 328.434 2.408 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000295159823 464727420 /nfs/dbraw/zinc/72/74/20/464727420.db2.gz QLLRXWPJWDZESS-OCCSQVGLSA-N 1 0 345.399 2.299 20 5 EEBDRO Cc1ccnc([C@H](C)[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000286091193 464799994 /nfs/dbraw/zinc/79/99/94/464799994.db2.gz MSOXETONTPOGQE-VUCTXSBTSA-N 1 0 331.372 2.043 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@H]21 ZINC000286137004 464816974 /nfs/dbraw/zinc/81/69/74/464816974.db2.gz HRHIHNUZVPCZRG-IAQYHMDHSA-N 1 0 343.387 2.164 20 5 EEBDRO CCN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)C1 ZINC000295406735 464819608 /nfs/dbraw/zinc/81/96/08/464819608.db2.gz TXXLRJAHRAUKEK-GFCCVEGCSA-N 1 0 343.387 2.151 20 5 EEBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295433683 464832131 /nfs/dbraw/zinc/83/21/31/464832131.db2.gz VAYNNCYPFTYXSO-AWEZNQCLSA-N 1 0 346.431 2.340 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)nc1 ZINC000249081510 464837077 /nfs/dbraw/zinc/83/70/77/464837077.db2.gz MQPIDYZANFTPCS-GDBMZVCRSA-N 1 0 334.420 2.417 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266844161 464843388 /nfs/dbraw/zinc/84/33/88/464843388.db2.gz ISBYJMXRHGIJCO-HNNXBMFYSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276201081 464844494 /nfs/dbraw/zinc/84/44/94/464844494.db2.gz IUYJAHNSEMEIEL-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276331431 464893290 /nfs/dbraw/zinc/89/32/90/464893290.db2.gz RBBMLDWTHPCYJF-CQSZACIVSA-N 1 0 335.379 2.472 20 5 EEBDRO CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000295910873 465003303 /nfs/dbraw/zinc/00/33/03/465003303.db2.gz HLBGZDJPXFMTOR-CYBMUJFWSA-N 1 0 338.389 2.135 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286712693 465012036 /nfs/dbraw/zinc/01/20/36/465012036.db2.gz BWGRYTUYGSZIQI-INIZCTEOSA-N 1 0 339.367 2.028 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000356459448 465394732 /nfs/dbraw/zinc/39/47/32/465394732.db2.gz MPQWAHYWTFRUKF-CQSZACIVSA-N 1 0 349.435 2.057 20 5 EEBDRO Cc1cc(NC[C@@H](C)c2nncn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000342961568 465417441 /nfs/dbraw/zinc/41/74/41/465417441.db2.gz QVZCJDOFCPFVHR-SNVBAGLBSA-N 1 0 326.360 2.217 20 5 EEBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc2c[nH+]cn2c1 ZINC000339911042 465598095 /nfs/dbraw/zinc/59/80/95/465598095.db2.gz MXVYBKROROXHTF-UHFFFAOYSA-N 1 0 333.307 3.043 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348519824 465648613 /nfs/dbraw/zinc/64/86/13/465648613.db2.gz GCTFGLMHVGUDJW-ZYHUDNBSSA-N 1 0 329.303 2.283 20 5 EEBDRO CC(C)(C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079173 465750393 /nfs/dbraw/zinc/75/03/93/465750393.db2.gz KDNDLFDGINCREM-HZPDHXFCSA-N 1 0 331.416 2.377 20 5 EEBDRO C[NH+](C)CC1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCCC1 ZINC000353284449 465769776 /nfs/dbraw/zinc/76/97/76/465769776.db2.gz ZFCSVVAUFARHQH-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000338056213 465786183 /nfs/dbraw/zinc/78/61/83/465786183.db2.gz GKDSBOLMLDBLDY-DZGCQCFKSA-N 1 0 346.431 2.404 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1(O)CCC1 ZINC000353483928 465920021 /nfs/dbraw/zinc/92/00/21/465920021.db2.gz IPKPTFUEGMTMNM-JTQLQIEISA-N 1 0 341.795 2.422 20 5 EEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000349042244 465934536 /nfs/dbraw/zinc/93/45/36/465934536.db2.gz CFZJECAMBKTTRJ-GFCCVEGCSA-N 1 0 342.355 2.067 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361424060 465983031 /nfs/dbraw/zinc/98/30/31/465983031.db2.gz FPTAEDYZGHJOEA-KRWDZBQOSA-N 1 0 336.388 2.244 20 5 EEBDRO CCC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362820577 466050393 /nfs/dbraw/zinc/05/03/93/466050393.db2.gz PEKNFCZZWLBYQT-UHFFFAOYSA-N 1 0 331.376 2.931 20 5 EEBDRO COc1cc(CN2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000353855777 466204597 /nfs/dbraw/zinc/20/45/97/466204597.db2.gz OOGXKBZXMSBNRI-SNVBAGLBSA-N 1 0 332.303 2.426 20 5 EEBDRO C[NH+]1CCN(CCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000357721751 466216424 /nfs/dbraw/zinc/21/64/24/466216424.db2.gz NCUMEGXFMUZTCX-UHFFFAOYSA-N 1 0 348.450 2.365 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000367271250 466231125 /nfs/dbraw/zinc/23/11/25/466231125.db2.gz OIHYTDHOXVGPRP-LLVKDONJSA-N 1 0 349.416 2.265 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000358036201 466402569 /nfs/dbraw/zinc/40/25/69/466402569.db2.gz KOGSMNUTWDHLFH-JSGCOSHPSA-N 1 0 326.418 2.083 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000305449415 466409191 /nfs/dbraw/zinc/40/91/91/466409191.db2.gz QUTGTMGUOFSMDL-CYBMUJFWSA-N 1 0 332.360 2.380 20 5 EEBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000305465259 466411133 /nfs/dbraw/zinc/41/11/33/466411133.db2.gz WQWOHNNFXYOHIQ-FZMZJTMJSA-N 1 0 332.360 2.238 20 5 EEBDRO CO[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000374644439 466703398 /nfs/dbraw/zinc/70/33/98/466703398.db2.gz HCFABYTXBXWFHZ-CVEARBPZSA-N 1 0 333.388 2.201 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423271296 466707811 /nfs/dbraw/zinc/70/78/11/466707811.db2.gz IVEXMJUTCRBWBL-IOASZLSFSA-N 1 0 334.420 2.419 20 5 EEBDRO [NH3+][C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000423482714 466755905 /nfs/dbraw/zinc/75/59/05/466755905.db2.gz RZDOAYHUOIFUOF-HNNXBMFYSA-N 1 0 339.370 2.288 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCC(O)CC1)CCCC2 ZINC000417326969 466835215 /nfs/dbraw/zinc/83/52/15/466835215.db2.gz DIFPEFSMDOMFTJ-GOSISDBHSA-N 1 0 333.432 2.409 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411785784 466901521 /nfs/dbraw/zinc/90/15/21/466901521.db2.gz 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CC[C@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)OC ZINC000419255913 467180760 /nfs/dbraw/zinc/18/07/60/467180760.db2.gz YVMMFPYTCFBWBI-CQSZACIVSA-N 1 0 347.419 2.408 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427887343 467184422 /nfs/dbraw/zinc/18/44/22/467184422.db2.gz SKFPIXOGYGHAFZ-GXTWGEPZSA-N 1 0 343.387 2.113 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000427887345 467184508 /nfs/dbraw/zinc/18/45/08/467184508.db2.gz SKFPIXOGYGHAFZ-JSGCOSHPSA-N 1 0 343.387 2.113 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000413207045 467190370 /nfs/dbraw/zinc/19/03/70/467190370.db2.gz LNONXIGWHIJZFL-UKRRQHHQSA-N 1 0 346.362 2.176 20 5 EEBDRO COC[C@]1(CO)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000450896464 467200245 /nfs/dbraw/zinc/20/02/45/467200245.db2.gz NKFREWSBFGSOJQ-QGZVFWFLSA-N 1 0 331.372 2.287 20 5 EEBDRO COc1cc(C[N@H+](CCO)[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433197706 467304989 /nfs/dbraw/zinc/30/49/89/467304989.db2.gz UDNMJRHCHFJABV-CYBMUJFWSA-N 1 0 326.418 2.293 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCCC[N@@H+]3C3CC3)c21 ZINC000433815216 467355405 /nfs/dbraw/zinc/35/54/05/467355405.db2.gz ZWWDHFGGFPEFJZ-CYBMUJFWSA-N 1 0 327.388 2.967 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346910 467373201 /nfs/dbraw/zinc/37/32/01/467373201.db2.gz ZMNIIRAEGJONCO-OAHLLOKOSA-N 1 0 346.431 2.306 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000430567490 467441848 /nfs/dbraw/zinc/44/18/48/467441848.db2.gz AYSQIWPMPFCEOW-ZDUSSCGKSA-N 1 0 346.431 2.386 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430607430 467449717 /nfs/dbraw/zinc/44/97/17/467449717.db2.gz CFROWEQXYDHXIP-MFKMUULPSA-N 1 0 340.811 2.388 20 5 EEBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000431071482 467491709 /nfs/dbraw/zinc/49/17/09/467491709.db2.gz BCTUBEVZSYJEKE-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448601597 467595333 /nfs/dbraw/zinc/59/53/33/467595333.db2.gz VQNLEZGRPHPRLY-AWEZNQCLSA-N 1 0 343.387 2.199 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000449721537 467699181 /nfs/dbraw/zinc/69/91/81/467699181.db2.gz BZQGOSCWHJAWCU-SNVBAGLBSA-N 1 0 339.701 2.187 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000449994395 467758388 /nfs/dbraw/zinc/75/83/88/467758388.db2.gz HGHARYDFJIEVKJ-DGCLKSJQSA-N 1 0 343.387 2.197 20 5 EEBDRO CNc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000531374718 468047737 /nfs/dbraw/zinc/04/77/37/468047737.db2.gz GRPKQJADOMDJPQ-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO COc1cc(CN2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000488517900 468089866 /nfs/dbraw/zinc/08/98/66/468089866.db2.gz DEDGBLOMDTWSOD-HNNXBMFYSA-N 1 0 337.420 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000590378215 468242456 /nfs/dbraw/zinc/24/24/56/468242456.db2.gz BNBXDCMNNAZAQW-MRXNPFEDSA-N 1 0 338.379 2.391 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000590402691 468246957 /nfs/dbraw/zinc/24/69/57/468246957.db2.gz GRDBAIGNTQZJQB-DZGCQCFKSA-N 1 0 346.431 2.360 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597533576 468589543 /nfs/dbraw/zinc/58/95/43/468589543.db2.gz PSJLEJNWUIOREW-HUUCEWRRSA-N 1 0 333.388 2.157 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCSCCC[NH+]2CCOCC2)cc1 ZINC000600568006 468594153 /nfs/dbraw/zinc/59/41/53/468594153.db2.gz GXNCJONFIXRVCW-UHFFFAOYSA-N 1 0 326.418 2.429 20 5 EEBDRO CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600762497 468650810 /nfs/dbraw/zinc/65/08/10/468650810.db2.gz MPBYALGMVWSYOM-RDJZCZTQSA-N 1 0 332.404 2.153 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253702 468665362 /nfs/dbraw/zinc/66/53/62/468665362.db2.gz LMYNCNCOJCLOSD-GJZGRUSLSA-N 1 0 347.415 2.212 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@H]4CCC[NH2+]4)no3)cn2)cc1 ZINC000592356987 468682398 /nfs/dbraw/zinc/68/23/98/468682398.db2.gz PAQLTUHQDHZGGB-CYBMUJFWSA-N 1 0 326.316 2.255 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924856 468712511 /nfs/dbraw/zinc/71/25/11/468712511.db2.gz TVDSGVXBVUEOJX-CYBMUJFWSA-N 1 0 335.404 2.135 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594975017 468735731 /nfs/dbraw/zinc/73/57/31/468735731.db2.gz MPZDOGGERQCXBV-UHFFFAOYSA-N 1 0 326.418 2.432 20 5 EEBDRO CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000559636277 468749240 /nfs/dbraw/zinc/74/92/40/468749240.db2.gz JEAKYQGNNBUNOP-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO Nc1c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595222602 468787850 /nfs/dbraw/zinc/78/78/50/468787850.db2.gz QBTYJOLUWIAXIU-ZDUSSCGKSA-N 1 0 332.404 2.029 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000601440855 468874783 /nfs/dbraw/zinc/87/47/83/468874783.db2.gz ZLMMVLAIHKRKAF-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO Cn1ccnc1[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000561511259 468897223 /nfs/dbraw/zinc/89/72/23/468897223.db2.gz CJEYXQDPSQHKFW-CQSZACIVSA-N 1 0 329.360 2.279 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593187946 468898815 /nfs/dbraw/zinc/89/88/15/468898815.db2.gz WKIQPOPTRRMZFG-BFHYXJOUSA-N 1 0 335.404 2.303 20 5 EEBDRO COC(=O)c1ccnc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598587837 468923552 /nfs/dbraw/zinc/92/35/52/468923552.db2.gz DPBPQYXFSCKKLQ-VXGBXAGGSA-N 1 0 336.392 2.309 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598600356 468928529 /nfs/dbraw/zinc/92/85/29/468928529.db2.gz DAYATUQBBPFQCI-LBPRGKRZSA-N 1 0 343.449 2.220 20 5 EEBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595670811 468946850 /nfs/dbraw/zinc/94/68/50/468946850.db2.gz DMKGQBCKTQBLJT-XJKSGUPXSA-N 1 0 335.404 2.406 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716579 468972332 /nfs/dbraw/zinc/97/23/32/468972332.db2.gz NZBZRHBBWSNCBU-GFCCVEGCSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716896 468972477 /nfs/dbraw/zinc/97/24/77/468972477.db2.gz VJQCPDUJQJLTBE-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593505092 469008113 /nfs/dbraw/zinc/00/81/13/469008113.db2.gz TXWBEJGJAOQIRA-MRXNPFEDSA-N 1 0 343.431 2.483 20 5 EEBDRO CC1(C)CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602687514 469011485 /nfs/dbraw/zinc/01/14/85/469011485.db2.gz YFFBVCDDQNGAEB-UHFFFAOYSA-N 1 0 347.463 2.423 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000585718541 469020935 /nfs/dbraw/zinc/02/09/35/469020935.db2.gz KQHKKKRWPGSQRA-MRXNPFEDSA-N 1 0 349.431 2.160 20 5 EEBDRO C[NH+]1CCN(c2ccnc(NC(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000601803900 469033558 /nfs/dbraw/zinc/03/35/58/469033558.db2.gz IMPCAZFIAZVCES-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598976770 469073442 /nfs/dbraw/zinc/07/34/42/469073442.db2.gz PXNBHQMRGUFEDG-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595924258 469085143 /nfs/dbraw/zinc/08/51/43/469085143.db2.gz JPHWPAPZMYWXPA-LBPRGKRZSA-N 1 0 345.403 2.935 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610928950 469114763 /nfs/dbraw/zinc/11/47/63/469114763.db2.gz SVBUBYUSQKUGBO-ZDUSSCGKSA-N 1 0 340.811 2.334 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000601978545 469125462 /nfs/dbraw/zinc/12/54/62/469125462.db2.gz YRMHMIWIQVGNIB-ZDUSSCGKSA-N 1 0 335.404 2.420 20 5 EEBDRO Cc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980498 469126360 /nfs/dbraw/zinc/12/63/60/469126360.db2.gz LTVDTEIHEPZSSG-FZMZJTMJSA-N 1 0 327.388 2.335 20 5 EEBDRO C[N@@H+]1CCCN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000610987961 469130077 /nfs/dbraw/zinc/13/00/77/469130077.db2.gz CGVKAGWBENYZTR-UHFFFAOYSA-N 1 0 328.363 2.313 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccs1 ZINC000596055214 469130927 /nfs/dbraw/zinc/13/09/27/469130927.db2.gz PRYYVWPLHYBAGJ-ZDUSSCGKSA-N 1 0 334.401 2.470 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596109874 469158960 /nfs/dbraw/zinc/15/89/60/469158960.db2.gz FRNIFPUDVMVHEN-JTQLQIEISA-N 1 0 333.310 2.116 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000563195817 469193909 /nfs/dbraw/zinc/19/39/09/469193909.db2.gz UFZLYRUNQBJLBZ-NSHDSACASA-N 1 0 337.424 2.073 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596460927 469274606 /nfs/dbraw/zinc/27/46/06/469274606.db2.gz ARLYUMFXPNDRPK-OAHLLOKOSA-N 1 0 342.399 2.449 20 5 EEBDRO COCCOc1ncccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602514596 469345268 /nfs/dbraw/zinc/34/52/68/469345268.db2.gz OAHJESBDLOGDKX-UHFFFAOYSA-N 1 0 331.372 2.347 20 5 EEBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602524779 469349741 /nfs/dbraw/zinc/34/97/41/469349741.db2.gz FOPJLFDRQPMDOT-INIZCTEOSA-N 1 0 344.415 2.209 20 5 EEBDRO COCCN(C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527726 469350445 /nfs/dbraw/zinc/35/04/45/469350445.db2.gz KKEWDJABTWKFNU-UHFFFAOYSA-N 1 0 335.326 2.281 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000602527573 469350932 /nfs/dbraw/zinc/35/09/32/469350932.db2.gz QRKLEYKRSLFBCL-CYBMUJFWSA-N 1 0 347.337 2.160 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(F)cc1 ZINC000612027086 469367902 /nfs/dbraw/zinc/36/79/02/469367902.db2.gz PJLAGRUVEXUUPU-OAHLLOKOSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000602597432 469378575 /nfs/dbraw/zinc/37/85/75/469378575.db2.gz CTGBZUPBXTYETA-HIFRSBDPSA-N 1 0 346.431 2.393 20 5 EEBDRO CC(=O)c1ccc(NCCCN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000604526471 469486768 /nfs/dbraw/zinc/48/67/68/469486768.db2.gz BEDRNUHYGBYDDL-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609045781 469889818 /nfs/dbraw/zinc/88/98/18/469889818.db2.gz LDKOTLFBCUPZPH-UHFFFAOYSA-N 1 0 335.404 2.089 20 5 EEBDRO Cc1nn(CCC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000429476808 485695612 /nfs/dbraw/zinc/69/56/12/485695612.db2.gz AHRTUOXJTHHFKS-LLVKDONJSA-N 1 0 345.403 2.134 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353322789 490757166 /nfs/dbraw/zinc/75/71/66/490757166.db2.gz COLYYAAVMJVNQF-JTQLQIEISA-N 1 0 339.355 2.421 20 5 EEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183328533 533946552 /nfs/dbraw/zinc/94/65/52/533946552.db2.gz RFAYONWVPHAZIQ-MNOVXSKESA-N 1 0 331.376 2.315 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000488902205 535952651 /nfs/dbraw/zinc/95/26/51/535952651.db2.gz ONABZRZWVCRHLG-AWEZNQCLSA-N 1 0 346.362 2.349 20 5 EEBDRO CS(=O)(=O)c1ccc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000280998258 537698514 /nfs/dbraw/zinc/69/85/14/537698514.db2.gz PJHYUKLBKNMHFY-UHFFFAOYSA-N 1 0 339.417 2.039 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000733165784 577206084 /nfs/dbraw/zinc/20/60/84/577206084.db2.gz MCPMMTRRPILKOH-MRXNPFEDSA-N 1 0 345.403 2.097 20 5 EEBDRO C[C@@H](CC[S@@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773046079 577312199 /nfs/dbraw/zinc/31/21/99/577312199.db2.gz ZTYVHMZYIQBPNY-ZAMGYDSWSA-N 1 0 339.461 2.310 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764963251 577491912 /nfs/dbraw/zinc/49/19/12/577491912.db2.gz BUPGOYQVKCLSNB-NSHDSACASA-N 1 0 346.387 2.484 20 5 EEBDRO CCN(CC)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765333183 577499420 /nfs/dbraw/zinc/49/94/20/577499420.db2.gz KCCYGUXMCVUBQJ-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO C[NH+](C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000768792991 577562689 /nfs/dbraw/zinc/56/26/89/577562689.db2.gz LRRDATHHNJCBDZ-UHFFFAOYSA-N 1 0 347.462 2.199 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000758480178 577625590 /nfs/dbraw/zinc/62/55/90/577625590.db2.gz GQYCJFLAACKOAW-KRWDZBQOSA-N 1 0 342.399 2.413 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC(F)F)CC2)cc1 ZINC000760041681 577656250 /nfs/dbraw/zinc/65/62/50/577656250.db2.gz ZNQDUUBOTFIBBZ-GFCCVEGCSA-N 1 0 329.347 2.169 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000746667128 577931976 /nfs/dbraw/zinc/93/19/76/577931976.db2.gz VRCXXYHDSAPAJQ-HZPDHXFCSA-N 1 0 339.823 2.279 20 5 EEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000741259917 578115739 /nfs/dbraw/zinc/11/57/39/578115739.db2.gz CXHZFISPAQOTEF-CYBMUJFWSA-N 1 0 334.328 2.091 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736399114 578200876 /nfs/dbraw/zinc/20/08/76/578200876.db2.gz DNBLDDRMCATAHY-CYBMUJFWSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020561800 675128029 /nfs/dbraw/zinc/12/80/29/675128029.db2.gz KLSHTSQQRHTQIB-SHTZXODSSA-N 1 0 343.383 2.476 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001021773510 676433427 /nfs/dbraw/zinc/43/34/27/676433427.db2.gz RLJGNJWZXNOZRI-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021999551 676575852 /nfs/dbraw/zinc/57/58/52/676575852.db2.gz CYNZANLJOLPGPG-GASCZTMLSA-N 1 0 329.356 2.167 20 5 EEBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000891750310 676815694 /nfs/dbraw/zinc/81/56/94/676815694.db2.gz IIJDJCVKKOXQRF-GHMZBOCLSA-N 1 0 342.346 2.200 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC001022594231 677968682 /nfs/dbraw/zinc/96/86/82/677968682.db2.gz ZXZWCWZLERRKLV-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO Cn1c2ccccc2c(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000892421198 679793527 /nfs/dbraw/zinc/79/35/27/679793527.db2.gz GFVJVUCYPGIIEA-GFCCVEGCSA-N 1 0 330.388 2.200 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC000892420237 679770872 /nfs/dbraw/zinc/77/08/72/679770872.db2.gz NRPMRYJPACXKRC-CYBMUJFWSA-N 1 0 342.399 2.343 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000894271507 681904804 /nfs/dbraw/zinc/90/48/04/681904804.db2.gz IKFANBUGOAIPTL-GOEBONIOSA-N 1 0 327.388 2.039 20 5 EEBDRO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000893020262 683570943 /nfs/dbraw/zinc/57/09/43/683570943.db2.gz OYYNJHVQGJJAEC-STQMWFEESA-N 1 0 332.404 2.234 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC2(CC2)C1 ZINC001026031823 683770008 /nfs/dbraw/zinc/77/00/08/683770008.db2.gz GRFSGBYZAOGKSW-QLPKVWCKSA-N 1 0 341.411 2.331 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000178992732 683864007 /nfs/dbraw/zinc/86/40/07/683864007.db2.gz BIGWHADJOCUPTJ-BETUJISGSA-N 1 0 325.384 2.275 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1C ZINC000896333374 684942388 /nfs/dbraw/zinc/94/23/88/684942388.db2.gz GXUSENKWBQWKPW-UHFFFAOYSA-N 1 0 349.431 2.394 20 5 EEBDRO Cc1cc(F)ccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426490 686673786 /nfs/dbraw/zinc/67/37/86/686673786.db2.gz QESNTNXJMUFXEU-IAGOWNOFSA-N 1 0 349.406 2.222 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000162830759 694378384 /nfs/dbraw/zinc/37/83/84/694378384.db2.gz OFCUZAXMDXAGOY-UHFFFAOYSA-N 1 0 328.376 2.429 20 5 EEBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(F)c(CN3CC[NH2+]CC3)c2)c1 ZINC000904796369 694474514 /nfs/dbraw/zinc/47/45/14/694474514.db2.gz KGXMWLLKQWZSRK-UHFFFAOYSA-N 1 0 345.374 2.298 20 5 EEBDRO O=C(C1=COCCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990159324 692704693 /nfs/dbraw/zinc/70/46/93/692704693.db2.gz NVOBPUDHNPHHPP-UHFFFAOYSA-N 1 0 345.399 2.370 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1Cc3ccccc3[C@@H]1O)OCCO2 ZINC000898392099 693298752 /nfs/dbraw/zinc/29/87/52/693298752.db2.gz DKRALAYYLQZBBO-KSSFIOAISA-N 1 0 342.351 2.114 20 5 EEBDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000898625024 693400563 /nfs/dbraw/zinc/40/05/63/693400563.db2.gz RZEBZKFFQMXOER-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706775229 1177097078 /nfs/dbraw/zinc/09/70/78/1177097078.db2.gz OGEZXRAWPGVHIC-UHFFFAOYSA-N 1 0 345.790 2.360 20 5 EEBDRO O=C(NCc1ccc(C[NH2+]Cc2ccccc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816918 1196773160 /nfs/dbraw/zinc/77/31/60/1196773160.db2.gz WBVUXNQGBAQNPC-QZTJIDSGSA-N 1 0 339.395 2.258 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000872019124 1198027367 /nfs/dbraw/zinc/02/73/67/1198027367.db2.gz SXNUPNQSTMYBCN-WDEREUQCSA-N 1 0 344.458 2.402 20 5 EEBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001134079956 1199297850 /nfs/dbraw/zinc/29/78/50/1199297850.db2.gz JDWOWIAXSVVKLO-UHFFFAOYSA-N 1 0 342.399 2.001 20 5 EEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000810847322 1199778162 /nfs/dbraw/zinc/77/81/62/1199778162.db2.gz MKTKQUFDECAJHY-NWDGAFQWSA-N 1 0 334.328 2.107 20 5 EEBDRO NC(=O)c1ccnc(NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000811813277 1200348213 /nfs/dbraw/zinc/34/82/13/1200348213.db2.gz OMVXGTYFGLGWLP-UHFFFAOYSA-N 1 0 347.419 2.298 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000826113166 1201171149 /nfs/dbraw/zinc/17/11/49/1201171149.db2.gz QDPIHOZDWNPJEC-WBVHZDCISA-N 1 0 347.415 2.105 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866213568 1201467693 /nfs/dbraw/zinc/46/76/93/1201467693.db2.gz SRCCAOVJCVWBRB-UHFFFAOYSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000866268925 1201481083 /nfs/dbraw/zinc/48/10/83/1201481083.db2.gz LAMICQIRXGLXIL-KGLIPLIRSA-N 1 0 339.411 2.223 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cn2ccnc2)c2ccccc2)n1 ZINC000880569259 1201525345 /nfs/dbraw/zinc/52/53/45/1201525345.db2.gz KGAVBRCHFXBOFI-OAHLLOKOSA-N 1 0 326.360 2.019 20 5 EEBDRO C[C@]1([NH3+])CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000868074670 1201738587 /nfs/dbraw/zinc/73/85/87/1201738587.db2.gz OUFOJEJANNPALW-ZDUSSCGKSA-N 1 0 347.293 2.099 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000869210502 1201965330 /nfs/dbraw/zinc/96/53/30/1201965330.db2.gz SGDBEWNHUSJSHW-HUUCEWRRSA-N 1 0 335.379 2.410 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095435317 1205747783 /nfs/dbraw/zinc/74/77/83/1205747783.db2.gz DKEMCHNQFLLRAQ-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000934164559 1207915070 /nfs/dbraw/zinc/91/50/70/1207915070.db2.gz YKAHBMXTYHUCIU-UKTARXLSSA-N 1 0 338.408 2.089 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778272571 1208032921 /nfs/dbraw/zinc/03/29/21/1208032921.db2.gz QIDTWZGGERKARR-UHFFFAOYSA-N 1 0 337.405 2.061 20 5 EEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000795694749 1214948252 /nfs/dbraw/zinc/94/82/52/1214948252.db2.gz RCUICRIVFTXNIX-BZUAXINKSA-N 1 0 328.372 2.253 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114773166 1215264205 /nfs/dbraw/zinc/26/42/05/1215264205.db2.gz AIZVWSAUTNDMAO-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000420399234 1217529388 /nfs/dbraw/zinc/52/93/88/1217529388.db2.gz HRCFAAWWUMBMEI-GUYCJALGSA-N 1 0 332.404 2.058 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2)C(F)F ZINC000963451246 1217639942 /nfs/dbraw/zinc/63/99/42/1217639942.db2.gz JDEDNGWZORVATP-UHFFFAOYSA-N 1 0 339.342 2.377 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001020206529 1229553281 /nfs/dbraw/zinc/55/32/81/1229553281.db2.gz TXZWWSUCUYVDPW-HAQNSBGRSA-N 1 0 332.385 2.102 20 5 EEBDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000900241995 1234116440 /nfs/dbraw/zinc/11/64/40/1234116440.db2.gz YJVLZKLTBJGBHG-UHFFFAOYSA-N 1 0 348.447 2.017 20 5 EEBDRO C[NH2+][C@H](C)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641227 1234597669 /nfs/dbraw/zinc/59/76/69/1234597669.db2.gz PAZOVMKSKXCUFY-MRVPVSSYSA-N 1 0 340.181 2.278 20 5 EEBDRO O=C(/C=C/C1CC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048734822 1238467810 /nfs/dbraw/zinc/46/78/10/1238467810.db2.gz XQWLKGYXKFSHDD-BORUEMGLSA-N 1 0 341.411 2.451 20 5 EEBDRO Cc1ccc(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)c([N+](=O)[O-])c1 ZINC001055927688 1238490232 /nfs/dbraw/zinc/49/02/32/1238490232.db2.gz ONDWZPRQOPELGX-UHFFFAOYSA-N 1 0 346.431 2.036 20 5 EEBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000803497800 1240535366 /nfs/dbraw/zinc/53/53/66/1240535366.db2.gz XTEZOSGERGOIGM-CYBMUJFWSA-N 1 0 325.321 2.132 20 5 EEBDRO Cc1cc(Cl)c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000827105175 1249941321 /nfs/dbraw/zinc/94/13/21/1249941321.db2.gz HOUYKOTVYSHINE-QMTHXVAHSA-N 1 0 341.795 2.006 20 5 EEBDRO O=C(NCC1CC[NH+](CCC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399866 1242196724 /nfs/dbraw/zinc/19/67/24/1242196724.db2.gz NUFCUPNSVICMPL-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC001097051540 1243628236 /nfs/dbraw/zinc/62/82/36/1243628236.db2.gz XIQBLOLVARYKBV-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097030356 1243638460 /nfs/dbraw/zinc/63/84/60/1243638460.db2.gz YHLDAYOJCHKJKT-JOCQHMNTSA-N 1 0 338.383 2.135 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001097091596 1243689741 /nfs/dbraw/zinc/68/97/41/1243689741.db2.gz RZITXIGZIANRFL-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815626765 1278154875 /nfs/dbraw/zinc/15/48/75/1278154875.db2.gz LPPWUVYMLYWXKI-RMIITELYSA-N 1 0 346.431 2.475 20 5 EEBDRO CCCSc1nc(O[C@@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218005978 1297545770 /nfs/dbraw/zinc/54/57/70/1297545770.db2.gz NCEWTRAGZLWVRH-VIFPVBQESA-N 1 0 342.421 2.359 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110593649 1290313060 /nfs/dbraw/zinc/31/30/60/1290313060.db2.gz JMJMWUAGYKGNNK-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000857766528 1293911199 /nfs/dbraw/zinc/91/11/99/1293911199.db2.gz SKGGHXMRQGXPIM-UHFFFAOYSA-N 1 0 343.330 2.295 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000117106590 1294737862 /nfs/dbraw/zinc/73/78/62/1294737862.db2.gz WRQZFHAYGVDELQ-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861893015 1295582472 /nfs/dbraw/zinc/58/24/72/1295582472.db2.gz BAELBPZUTMIXTN-UHFFFAOYSA-N 1 0 336.348 2.059 20 5 EEBDRO COC(=O)c1ccc(COC2CC[NH+](CCF)CC2)c([N+](=O)[O-])c1 ZINC001223413391 1300122277 /nfs/dbraw/zinc/12/22/77/1300122277.db2.gz LOJKSIQTVLLWQF-UHFFFAOYSA-N 1 0 340.351 2.332 20 5 EEBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)OCCC[N+](C)(C)C ZINC001224623043 1300673334 /nfs/dbraw/zinc/67/33/34/1300673334.db2.gz KMNGLCGRNYDMMH-YYIAUSFCSA-N 1 0 330.489 2.422 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225576641 1301070197 /nfs/dbraw/zinc/07/01/97/1301070197.db2.gz BIXVSVHYQOXCRG-GMZLATJGSA-N 1 0 338.335 2.280 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(C(F)(F)F)cc1Cl ZINC001225864210 1301179116 /nfs/dbraw/zinc/17/91/16/1301179116.db2.gz UKEUTRMEZRXPDV-SECBINFHSA-N 1 0 341.737 2.116 20 5 EEBDRO CC(C)OCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226414233 1301400025 /nfs/dbraw/zinc/40/00/25/1301400025.db2.gz GYMWKEJAVBKVSM-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC001226430090 1301409438 /nfs/dbraw/zinc/40/94/38/1301409438.db2.gz CFJPUJMUXYUBMF-LLVKDONJSA-N 1 0 338.360 2.253 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227497834 1301854227 /nfs/dbraw/zinc/85/42/27/1301854227.db2.gz IEBJKMFPMPMQQS-JTQLQIEISA-N 1 0 340.292 2.273 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1-c1cc[nH]n1 ZINC001227614749 1301909680 /nfs/dbraw/zinc/90/96/80/1301909680.db2.gz QUIYFAOQYFKSSL-GFCCVEGCSA-N 1 0 338.815 2.093 20 5 EEBDRO COC(=O)c1ncc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228864716 1302491507 /nfs/dbraw/zinc/49/15/07/1302491507.db2.gz ADJPITSMUZZJIU-VIFPVBQESA-N 1 0 332.218 2.104 20 5 EEBDRO Nc1[nH]c2ccc(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)cc2[nH+]1 ZINC001230517369 1303241901 /nfs/dbraw/zinc/24/19/01/1303241901.db2.gz ZNPNZVJKRLYBSK-LBPRGKRZSA-N 1 0 340.343 2.106 20 5 EEBDRO NC(C[NH+]1CCCCCC1)=NOCCOc1cccc([N+](=O)[O-])c1 ZINC000782328686 1304039136 /nfs/dbraw/zinc/03/91/36/1304039136.db2.gz YATUAWUAYPTWRM-UHFFFAOYSA-N 1 0 336.392 2.348 20 5 EEBDRO Cc1nn(C[NH+]2CCC([C@@H]3CCCO3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000783963979 1304387904 /nfs/dbraw/zinc/38/79/04/1304387904.db2.gz KTMYBGNMCQUTJZ-INIZCTEOSA-N 1 0 345.403 2.496 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H]([NH3+])CC2)c1F ZINC001246540852 1310335720 /nfs/dbraw/zinc/33/57/20/1310335720.db2.gz KGEUZGPEHMMKOF-VXGBXAGGSA-N 1 0 325.384 2.487 20 5 EEBDRO COc1ccc(Nc2cncc(N3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001248470648 1310908155 /nfs/dbraw/zinc/90/81/55/1310908155.db2.gz SNWQDJIQHNIGBG-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001162736682 1320944855 /nfs/dbraw/zinc/94/48/55/1320944855.db2.gz AGBQJOOXISXBLQ-ZDUSSCGKSA-N 1 0 349.391 2.014 20 5 EEBDRO O=[N+]([O-])c1ccc(I)c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000830375712 1314535723 /nfs/dbraw/zinc/53/57/23/1314535723.db2.gz UVTMMMFMSXYWFZ-MRVPVSSYSA-N 1 0 348.140 2.188 20 5 EEBDRO COC[C@@]1(C)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840109253 1315297178 /nfs/dbraw/zinc/29/71/78/1315297178.db2.gz WIVVYLRLUWPWNA-INIZCTEOSA-N 1 0 331.376 2.169 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000840151972 1315310250 /nfs/dbraw/zinc/31/02/50/1315310250.db2.gz KSPJSDFNDJKYNK-MRXNPFEDSA-N 1 0 344.419 2.225 20 5 EEBDRO CCC[NH2+]CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162276 1315493398 /nfs/dbraw/zinc/49/33/98/1315493398.db2.gz RXJXOVXYEQUTSX-UHFFFAOYSA-N 1 0 345.197 2.478 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841856532 1315624771 /nfs/dbraw/zinc/62/47/71/1315624771.db2.gz RTFVWERQVVRACY-NEPJUHHUSA-N 1 0 338.795 2.284 20 5 EEBDRO O=C(NCCC1=CC[NH2+]CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841858663 1315625604 /nfs/dbraw/zinc/62/56/04/1315625604.db2.gz SWXVCQGXCFYSGP-UHFFFAOYSA-N 1 0 338.795 2.357 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1-n1ccnc1 ZINC000842642976 1315743277 /nfs/dbraw/zinc/74/32/77/1315743277.db2.gz WXXIVGKOKNLYDS-NSHDSACASA-N 1 0 326.316 2.255 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000842775681 1315771643 /nfs/dbraw/zinc/77/16/43/1315771643.db2.gz RXFSFELDJXPPSD-UHFFFAOYSA-N 1 0 347.824 2.059 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCO)Cc2ccccc2)cc1 ZINC000843110777 1315845361 /nfs/dbraw/zinc/84/53/61/1315845361.db2.gz APLPTNHHWVENMN-FUHWJXTLSA-N 1 0 330.384 2.212 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843376896 1315903947 /nfs/dbraw/zinc/90/39/47/1315903947.db2.gz GOLMZRFEFBYCFT-GWCFXTLKSA-N 1 0 340.811 2.246 20 5 EEBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001150382635 1316250441 /nfs/dbraw/zinc/25/04/41/1316250441.db2.gz VMFONYHWHPYZAF-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1C(C)C ZINC001153890393 1316909223 /nfs/dbraw/zinc/90/92/23/1316909223.db2.gz GTVVCLOHEFVEHZ-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO O=C(/C=C\c1ccco1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154222126 1316999345 /nfs/dbraw/zinc/99/93/45/1316999345.db2.gz PBBDJKWCAUYOQQ-HJWRWDBZSA-N 1 0 329.356 2.497 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001155032030 1317426656 /nfs/dbraw/zinc/42/66/56/1317426656.db2.gz WDKOWVJMVRQRMH-NEPJUHHUSA-N 1 0 336.392 2.214 20 5 EEBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592068 1317663368 /nfs/dbraw/zinc/66/33/68/1317663368.db2.gz LUXVPEPYUMNBTP-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO Cc1cncc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001156111959 1317882042 /nfs/dbraw/zinc/88/20/42/1317882042.db2.gz ZVJXUJJDDYINLC-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO CC(=O)NC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476392 1318082465 /nfs/dbraw/zinc/08/24/65/1318082465.db2.gz PZAHPIPCCUXTQI-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@]1(O)CCOc3ccccc31)C2 ZINC001254580139 1318128962 /nfs/dbraw/zinc/12/89/62/1318128962.db2.gz ZGGBHQRIDFDUJR-BEFAXECRSA-N 1 0 340.379 2.322 20 5 EEBDRO COC(=O)c1ccnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585826 1318134126 /nfs/dbraw/zinc/13/41/26/1318134126.db2.gz XJYPIEPTAJIJAS-AWEZNQCLSA-N 1 0 327.340 2.033 20 5 EEBDRO O=C1CCCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254597114 1318139320 /nfs/dbraw/zinc/13/93/20/1318139320.db2.gz USEATNJWKGOKTO-MRXNPFEDSA-N 1 0 329.400 2.197 20 5 EEBDRO CC(C)(C(N)=O)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603062 1318139598 /nfs/dbraw/zinc/13/95/98/1318139598.db2.gz LDKXPRMWVLPQBX-MRXNPFEDSA-N 1 0 331.416 2.286 20 5 EEBDRO COc1cc(N2CCC([NH2+]C3CN(C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087253 1318644578 /nfs/dbraw/zinc/64/45/78/1318644578.db2.gz TWZGABFKKMNMOR-UHFFFAOYSA-N 1 0 348.447 2.254 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC(=O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093028 1318646183 /nfs/dbraw/zinc/64/61/83/1318646183.db2.gz DFVXTRNAFYISED-CYBMUJFWSA-N 1 0 347.415 2.483 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157687946 1318798077 /nfs/dbraw/zinc/79/80/77/1318798077.db2.gz CMELWRGODSCGER-PHIMTYICSA-N 1 0 325.800 2.125 20 5 EEBDRO Cc1ncn(-c2cnc3cc([N+](=O)[O-])ccc3n2)c1CSCC[NH3+] ZINC001157961559 1318949581 /nfs/dbraw/zinc/94/95/81/1318949581.db2.gz HDLLBYFLCXCKRH-UHFFFAOYSA-N 1 0 344.400 2.224 20 5 EEBDRO Cc1ncn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1CSCC[NH3+] ZINC001157964767 1318951181 /nfs/dbraw/zinc/95/11/81/1318951181.db2.gz YBIOXFFOOBECNQ-UHFFFAOYSA-N 1 0 332.389 2.157 20 5 EEBDRO [NH3+][C@H]1CCN(C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270585 1319128954 /nfs/dbraw/zinc/12/89/54/1319128954.db2.gz VYKXWWQMNWASCT-AWEZNQCLSA-N 1 0 341.415 2.145 20 5 EEBDRO Nc1cc([N+](=O)[O-])cnc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159546116 1319874433 /nfs/dbraw/zinc/87/44/33/1319874433.db2.gz PTCOADMZOOXNRB-UHFFFAOYSA-N 1 0 331.420 2.306 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161276400 1320441869 /nfs/dbraw/zinc/44/18/69/1320441869.db2.gz BHZYSAUKBDYHKM-XYPYZODXSA-N 1 0 340.811 2.427 20 5 EEBDRO CCc1cccnc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161518756 1320524362 /nfs/dbraw/zinc/52/43/62/1320524362.db2.gz QJXCHCWGNSNODP-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001161581193 1320546744 /nfs/dbraw/zinc/54/67/44/1320546744.db2.gz ISNGWVCOJPVXKS-UHFFFAOYSA-N 1 0 333.779 2.493 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H](c2cncc(F)c2)C2CC2)nc1C1C[NH2+]C1 ZINC001161820794 1320638632 /nfs/dbraw/zinc/63/86/32/1320638632.db2.gz OMWBULULCJHRCK-CQSZACIVSA-N 1 0 344.350 2.169 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001162740516 1320946263 /nfs/dbraw/zinc/94/62/63/1320946263.db2.gz DLIGSKZJRIVFNX-HNNXBMFYSA-N 1 0 335.367 2.428 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162794450 1320960420 /nfs/dbraw/zinc/96/04/20/1320960420.db2.gz PGLOAYBPTJZPOU-BCMRRPTOSA-N 1 0 330.722 2.056 20 5 EEBDRO COc1nc(SC)nc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162843283 1320972049 /nfs/dbraw/zinc/97/20/49/1320972049.db2.gz CWQHCLZPJRKRQF-JTQLQIEISA-N 1 0 347.400 2.137 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163105330 1321036989 /nfs/dbraw/zinc/03/69/89/1321036989.db2.gz NHENFBQVQHMQTG-GIPNMCIBSA-N 1 0 341.795 2.212 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1OC(F)(F)F ZINC001163202417 1321066278 /nfs/dbraw/zinc/06/62/78/1321066278.db2.gz HQXFAOWYYNRUKR-SKDRFNHKSA-N 1 0 333.266 2.036 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163218574 1321070064 /nfs/dbraw/zinc/07/00/64/1321070064.db2.gz GYLSQKPVHYTCQN-HIFRSBDPSA-N 1 0 342.355 2.292 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163274274 1321083791 /nfs/dbraw/zinc/08/37/91/1321083791.db2.gz ISEBOOJTICKFLM-LBPRGKRZSA-N 1 0 334.763 2.008 20 5 EEBDRO COc1nc(NCC2C[NH+](Cc3ccccc3)C2)nc(C)c1[N+](=O)[O-] ZINC001165426821 1321523453 /nfs/dbraw/zinc/52/34/53/1321523453.db2.gz CXPGLAFEKYMNRR-UHFFFAOYSA-N 1 0 343.387 2.246 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]2CF)CC1 ZINC001165436629 1321525844 /nfs/dbraw/zinc/52/58/44/1321525844.db2.gz SNLDSYCJPKGRHH-WDEREUQCSA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1ncccc1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001166585632 1321745091 /nfs/dbraw/zinc/74/50/91/1321745091.db2.gz KYUOCCMWEGXWIA-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO C[NH2+]C1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCC1 ZINC001307122976 1331510072 /nfs/dbraw/zinc/51/00/72/1331510072.db2.gz GITWGYZMZYMWHA-UHFFFAOYSA-N 1 0 331.332 2.027 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001321590525 1333129801 /nfs/dbraw/zinc/12/98/01/1333129801.db2.gz VGMUMKDJVJFSFZ-GFCCVEGCSA-N 1 0 336.392 2.457 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC001322322431 1333246843 /nfs/dbraw/zinc/24/68/43/1333246843.db2.gz WKALVZPKXYYRDU-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609163196 1351870811 /nfs/dbraw/zinc/87/08/11/1351870811.db2.gz UJAANMCEXPDJFZ-VXGBXAGGSA-N 1 0 345.407 2.450 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCOCC3)CC2)c2ccccc21 ZINC001331113452 1334965580 /nfs/dbraw/zinc/96/55/80/1334965580.db2.gz TVGHKRXPCOTFLF-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1ncc(CNC(=O)CCN2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001333391593 1336030051 /nfs/dbraw/zinc/03/00/51/1336030051.db2.gz DZBROMMTGNBLMK-UHFFFAOYSA-N 1 0 346.412 2.382 20 5 EEBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC001333667182 1336100763 /nfs/dbraw/zinc/10/07/63/1336100763.db2.gz FLKIYVDGIAKJDK-IRXDYDNUSA-N 1 0 329.400 2.253 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCN1C ZINC001334744462 1336291046 /nfs/dbraw/zinc/29/10/46/1336291046.db2.gz GCFRFBXCNGMOKH-LLVKDONJSA-N 1 0 328.372 2.106 20 5 EEBDRO Cn1c2ccccc2c(NC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1=O ZINC001339857819 1337085734 /nfs/dbraw/zinc/08/57/34/1337085734.db2.gz RXMXNTJYNZXQIJ-LBPRGKRZSA-N 1 0 330.388 2.343 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001340477316 1337193249 /nfs/dbraw/zinc/19/32/49/1337193249.db2.gz OYHYBSYGTIBYFQ-VIFPVBQESA-N 1 0 344.209 2.461 20 5 EEBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC001575115582 1343738148 /nfs/dbraw/zinc/73/81/48/1343738148.db2.gz HWGNDDRXJZZSHF-QGZVFWFLSA-N 1 0 349.387 2.161 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1F ZINC001579642415 1344402315 /nfs/dbraw/zinc/40/23/15/1344402315.db2.gz FACQPBAEVNOCFK-IUCAKERBSA-N 1 0 343.330 2.024 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579733772 1344410299 /nfs/dbraw/zinc/41/02/99/1344410299.db2.gz CEMMTOYIVDZGAU-ZDUSSCGKSA-N 1 0 348.403 2.278 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001580693561 1344551579 /nfs/dbraw/zinc/55/15/79/1344551579.db2.gz BDPTZOHLDCLMOY-XYPHTWIQSA-N 1 0 347.415 2.401 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580770277 1344556669 /nfs/dbraw/zinc/55/66/69/1344556669.db2.gz KBYGTEDRFQPXOH-GXSJLCMTSA-N 1 0 330.266 2.192 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001593467370 1349803821 /nfs/dbraw/zinc/80/38/21/1349803821.db2.gz PMBHEPCCACKUNC-ZDUSSCGKSA-N 1 0 336.302 2.006 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC001607078670 1351407818 /nfs/dbraw/zinc/40/78/18/1351407818.db2.gz BKQQJTOXZIUFBH-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344472062 1367045878 /nfs/dbraw/zinc/04/58/78/1367045878.db2.gz WFGQZJYFOREMGD-TXEJJXNPSA-N 1 0 335.404 2.467 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000899935882 1367345430 /nfs/dbraw/zinc/34/54/30/1367345430.db2.gz SDFAUIAOYYUMSY-UHFFFAOYSA-N 1 0 328.372 2.108 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286300965 1369749199 /nfs/dbraw/zinc/74/91/99/1369749199.db2.gz SOVVAZKMRVDZNY-ONXXMXGDSA-N 1 0 333.388 2.301 20 5 EEBDRO COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782506792 1371304772 /nfs/dbraw/zinc/30/47/72/1371304772.db2.gz FXMRBMISKHAKFF-LBPRGKRZSA-N 1 0 325.340 2.173 20 5 EEBDRO C[NH+](C)C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000832024962 1372407248 /nfs/dbraw/zinc/40/72/48/1372407248.db2.gz GXTALQADVLPCSL-CQSZACIVSA-N 1 0 325.384 2.380 20 5 EEBDRO COCCCC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001755128441 1407137340 /nfs/dbraw/zinc/13/73/40/1407137340.db2.gz FFQLIBQAEGOQPK-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[C@H]1C[NH3+] ZINC001576783291 1403603484 /nfs/dbraw/zinc/60/34/84/1403603484.db2.gz PSQWINFVTMMLAW-BDAKNGLRSA-N 1 0 341.799 2.279 20 5 EEBDRO O=C(NC[C@H]1CC[NH2+]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001580660809 1403865986 /nfs/dbraw/zinc/86/59/86/1403865986.db2.gz GYHYZSFFPSWAAD-CQSZACIVSA-N 1 0 340.383 2.299 20 5 EEBDRO CC(C)C[NH+]1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164657218 719336706 /nfs/dbraw/zinc/33/67/06/719336706.db2.gz CTURJZMXGBOOIQ-AATRIKPKSA-N 1 0 333.436 2.300 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC001165036309 721906877 /nfs/dbraw/zinc/90/68/77/721906877.db2.gz AQSVYDOOLBBGLG-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1 ZINC000840252768 782458226 /nfs/dbraw/zinc/45/82/26/782458226.db2.gz YHRBTIUKHHCXKM-LSDHHAIUSA-N 1 0 328.372 2.418 20 5 EEBDRO O=C(NCC1C[NH+](Cc2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661284 770730620 /nfs/dbraw/zinc/73/06/20/770730620.db2.gz SOHUGCGHRCRZIO-QZTJIDSGSA-N 1 0 339.395 2.053 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC([NH3+])CC1 ZINC000237630307 774072644 /nfs/dbraw/zinc/07/26/44/774072644.db2.gz VTBXQSQIBXJXBC-GCVQQVDUSA-N 1 0 341.795 2.402 20 5 EEBDRO N=C(NCCCC[NH3+])Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001167877848 778946988 /nfs/dbraw/zinc/94/69/88/778946988.db2.gz LAJSVMLKWNHTFZ-UHFFFAOYSA-N 1 0 328.376 2.332 20 5 EEBDRO Cn1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000809735049 783319320 /nfs/dbraw/zinc/31/93/20/783319320.db2.gz QUKCTXPDLUBSPG-UHFFFAOYSA-N 1 0 325.372 2.447 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817483831 784791512 /nfs/dbraw/zinc/79/15/12/784791512.db2.gz JIOHNKYJIAFOAO-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000818008402 785163415 /nfs/dbraw/zinc/16/34/15/785163415.db2.gz GCRIFHXDOCUZCZ-KBPBESRZSA-N 1 0 346.431 2.252 20 5 EEBDRO C[C@]1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000818571022 785296488 /nfs/dbraw/zinc/29/64/88/785296488.db2.gz GJELHANBWCRQJX-HNNXBMFYSA-N 1 0 343.786 2.436 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000818593925 785315743 /nfs/dbraw/zinc/31/57/43/785315743.db2.gz SZDBEMCWUWTQTA-GOSISDBHSA-N 1 0 346.431 2.396 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)c1 ZINC000819042775 785371477 /nfs/dbraw/zinc/37/14/77/785371477.db2.gz NWAMZNIVRVVGGE-BXKMTCNYSA-N 1 0 348.424 2.167 20 5 EEBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819082834 785394408 /nfs/dbraw/zinc/39/44/08/785394408.db2.gz SPDBSNIVJNLKIO-WBVHZDCISA-N 1 0 328.372 2.394 20 5 EEBDRO CN1Cc2ccccc2[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190225 785455928 /nfs/dbraw/zinc/45/59/28/785455928.db2.gz IHTUWSGEBAEHDQ-MSOLQXFVSA-N 1 0 327.384 2.405 20 5 EEBDRO COCC[C@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819221697 785477244 /nfs/dbraw/zinc/47/72/44/785477244.db2.gz MNZMVIIWVVHUTB-RHSMWYFYSA-N 1 0 334.372 2.459 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000819264687 785498291 /nfs/dbraw/zinc/49/82/91/785498291.db2.gz BGMVWQLMMAGIMW-LLVKDONJSA-N 1 0 340.273 2.135 20 5 EEBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819275652 785504869 /nfs/dbraw/zinc/50/48/69/785504869.db2.gz ZRQRVCXGBVDNIG-RISCZKNCSA-N 1 0 339.392 2.131 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107205146 786396726 /nfs/dbraw/zinc/39/67/26/786396726.db2.gz VZFVJNVQEGLFMP-SREVYHEPSA-N 1 0 334.420 2.329 20 5 EEBDRO Cc1ccc(NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)c([N+](=O)[O-])c1 ZINC001107276198 786688802 /nfs/dbraw/zinc/68/88/02/786688802.db2.gz BRCLXNGJXWKDIJ-NSCUHMNNSA-N 1 0 344.415 2.083 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107322568 786818713 /nfs/dbraw/zinc/81/87/13/786818713.db2.gz YZWJHWMDJLNSKX-AATRIKPKSA-N 1 0 334.420 2.329 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107322569 786819880 /nfs/dbraw/zinc/81/98/80/786819880.db2.gz YZWJHWMDJLNSKX-WAYWQWQTSA-N 1 0 334.420 2.329 20 5 EEBDRO O=C(N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CC1 ZINC000996986703 788347978 /nfs/dbraw/zinc/34/79/78/788347978.db2.gz DJMFIYSKFWKFFV-UHFFFAOYSA-N 1 0 335.379 2.425 20 5 EEBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912811341 788382064 /nfs/dbraw/zinc/38/20/64/788382064.db2.gz IFRNLCSAYJOVGW-JSGCOSHPSA-N 1 0 334.420 2.369 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(F)(F)F ZINC000825208240 788502779 /nfs/dbraw/zinc/50/27/79/788502779.db2.gz TXLOYHIBHWEWED-QMMMGPOBSA-N 1 0 325.674 2.258 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000825518093 788663579 /nfs/dbraw/zinc/66/35/79/788663579.db2.gz FUXSCZZYVCIIDV-UHFFFAOYSA-N 1 0 349.431 2.478 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923442253 789568829 /nfs/dbraw/zinc/56/88/29/789568829.db2.gz MCTQCWBWDIHJLL-SDDRHHMPSA-N 1 0 331.376 2.216 20 5 EEBDRO CC(C)(C)c1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001127172535 790255555 /nfs/dbraw/zinc/25/55/55/790255555.db2.gz XCLRAJBKAASSMV-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO CC(C)C[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172892146 791786649 /nfs/dbraw/zinc/78/66/49/791786649.db2.gz HNZAHXVWVZVXOB-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCC2(CCCC2)C1 ZINC000173441900 791856182 /nfs/dbraw/zinc/85/61/82/791856182.db2.gz VYSLSOTYOOOVIQ-UHFFFAOYSA-N 1 0 329.356 2.414 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc3ccc(C[NH3+])cc3n2)c1 ZINC001171323964 792270388 /nfs/dbraw/zinc/27/03/88/792270388.db2.gz SIESBVRYWMIOEE-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO O=C(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000076295363 793580730 /nfs/dbraw/zinc/58/07/30/793580730.db2.gz XDHMHMHFDOOZGY-CYBMUJFWSA-N 1 0 349.387 2.008 20 5 EEBDRO CC(C)(C(=O)NCCNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001094033466 795886017 /nfs/dbraw/zinc/88/60/17/795886017.db2.gz OOUZKKZUXBKYLV-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO COC(=O)[C@]1(F)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907768 797133314 /nfs/dbraw/zinc/13/33/14/797133314.db2.gz HZJNBBGVSHRELJ-YOEHRIQHSA-N 1 0 336.363 2.429 20 5 EEBDRO O=C1NC[C@]2(CCC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172922500 797153397 /nfs/dbraw/zinc/15/33/97/797153397.db2.gz YGTWFGAHXXOYFR-QAPCUYQASA-N 1 0 345.399 2.417 20 5 EEBDRO COC(=O)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910096 797168563 /nfs/dbraw/zinc/16/85/63/797168563.db2.gz WWPUDMFOPSTECK-OAHLLOKOSA-N 1 0 333.388 2.226 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)c2cccnc2)c1F ZINC001173180527 797278853 /nfs/dbraw/zinc/27/88/53/797278853.db2.gz RGQLKUPKVQOYMC-SMDDNHRTSA-N 1 0 349.362 2.392 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001173225991 797309733 /nfs/dbraw/zinc/30/97/33/797309733.db2.gz GWROZBXPMIZOOE-CRAIPNDOSA-N 1 0 333.432 2.322 20 5 EEBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227127 797311106 /nfs/dbraw/zinc/31/11/06/797311106.db2.gz OFRBZEVGOBRFQD-XJKSGUPXSA-N 1 0 348.399 2.370 20 5 EEBDRO CCNC(=O)CO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235729 797313335 /nfs/dbraw/zinc/31/33/35/797313335.db2.gz YXEMZRXAWBQZQX-PBHICJAKSA-N 1 0 349.431 2.143 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001173238541 797324470 /nfs/dbraw/zinc/32/44/70/797324470.db2.gz VEDZVOPOPPXQSA-BBRMVZONSA-N 1 0 328.372 2.469 20 5 EEBDRO Cc1ccc(N2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001095181516 797491992 /nfs/dbraw/zinc/49/19/92/797491992.db2.gz CJZVBMZADMVLMU-UHFFFAOYSA-N 1 0 348.447 2.282 20 5 EEBDRO CCC[N@H+](C)CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095185645 797496203 /nfs/dbraw/zinc/49/62/03/797496203.db2.gz DSXQDRAPRFVLSB-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H](C)[NH2+]1 ZINC000153880490 797542848 /nfs/dbraw/zinc/54/28/48/797542848.db2.gz NWVLJMVGGQUASA-KBPBESRZSA-N 1 0 346.431 2.408 20 5 EEBDRO Cc1nc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001175521593 798144316 /nfs/dbraw/zinc/14/43/16/798144316.db2.gz QCUFNYRMSCDEEN-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110193463 798368542 /nfs/dbraw/zinc/36/85/42/798368542.db2.gz HEEOQZKOTHBLOX-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccco1 ZINC001086292195 802679800 /nfs/dbraw/zinc/67/98/00/802679800.db2.gz SZJSBVAHAXYIOG-HDJSIYSDSA-N 1 0 329.356 2.486 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=COCCC1 ZINC001086324580 802743369 /nfs/dbraw/zinc/74/33/69/802743369.db2.gz DLFIDICZXBIQED-SAZUREKKSA-N 1 0 345.399 2.274 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC001086430162 802954540 /nfs/dbraw/zinc/95/45/40/802954540.db2.gz CIWYKSXUYLAYTH-MQMHXKEQSA-N 1 0 346.362 2.360 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168974665 803557836 /nfs/dbraw/zinc/55/78/36/803557836.db2.gz SCVALJDVWOZTJP-MQYQWHSLSA-N 1 0 327.425 2.325 20 5 EEBDRO COc1ccnc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991582 803559099 /nfs/dbraw/zinc/55/90/99/803559099.db2.gz HTHAIYCFDBQXJC-CABCVRRESA-N 1 0 349.431 2.173 20 5 EEBDRO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168991527 803559141 /nfs/dbraw/zinc/55/91/41/803559141.db2.gz HFYMIDKZHWRWBX-HIFRSBDPSA-N 1 0 332.404 2.134 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnoc1C1CC1 ZINC001169979684 805044636 /nfs/dbraw/zinc/04/46/36/805044636.db2.gz VRSNKJWKRDTZJH-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO CCC[N@H+](C)CC(=O)N(C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001109496365 805551604 /nfs/dbraw/zinc/55/16/04/805551604.db2.gz QVAKUBYNXZLTGH-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312181 809885847 /nfs/dbraw/zinc/88/58/47/809885847.db2.gz DLCNROAUKDIFFJ-MLGOLLRUSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)n2c(=N)sc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001170345385 809916057 /nfs/dbraw/zinc/91/60/57/809916057.db2.gz JPYSSAHKYMXCCH-JTQLQIEISA-N 1 0 348.428 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000805754052 811488685 /nfs/dbraw/zinc/48/86/85/811488685.db2.gz ODUVTAWYTIUTKY-IAGOWNOFSA-N 1 0 329.356 2.177 20 5 EEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170571560 812985853 /nfs/dbraw/zinc/98/58/53/812985853.db2.gz MYAHLPGNDSTFAQ-CABZTGNLSA-N 1 0 329.784 2.354 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccc2occc21 ZINC001131607207 813018877 /nfs/dbraw/zinc/01/88/77/813018877.db2.gz CQRHXMNRXPJHIO-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO Cc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1Br ZINC001170573851 813021082 /nfs/dbraw/zinc/02/10/82/813021082.db2.gz LDNRPJHEEICGKS-RNCFNFMXSA-N 1 0 344.209 2.455 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993044 1120253214 /nfs/dbraw/zinc/25/32/14/1120253214.db2.gz GGRFRIKOZLVQBC-UONOGXRCSA-N 1 0 338.456 2.192 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000174698382 231281363 /nfs/dbraw/zinc/28/13/63/231281363.db2.gz QXRIONQMVFUSDC-KRWDZBQOSA-N 1 0 346.362 2.081 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000175079769 231380437 /nfs/dbraw/zinc/38/04/37/231380437.db2.gz STDSNBXHWHVBOG-STQMWFEESA-N 1 0 341.433 2.054 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000066137335 215015953 /nfs/dbraw/zinc/01/59/53/215015953.db2.gz AHCWTPOFOXBGBV-JTQLQIEISA-N 1 0 338.364 2.272 20 5 EEBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181701377 234290745 /nfs/dbraw/zinc/29/07/45/234290745.db2.gz RRVQAXXDQJADKM-GFCCVEGCSA-N 1 0 339.367 2.421 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000179202696 295894088 /nfs/dbraw/zinc/89/40/88/295894088.db2.gz WRFODIFYSKKUJM-MJBXVCDLSA-N 1 0 348.447 2.496 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000262590178 296024763 /nfs/dbraw/zinc/02/47/63/296024763.db2.gz QUDGXEJMDFVTSH-UKRRQHHQSA-N 1 0 346.431 2.394 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422825905 240249416 /nfs/dbraw/zinc/24/94/16/240249416.db2.gz KQBAEAUCKKOHQP-SECBINFHSA-N 1 0 331.825 2.312 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422736897 240203041 /nfs/dbraw/zinc/20/30/41/240203041.db2.gz YRMADTPQKOBMRO-ABAIWWIYSA-N 1 0 349.387 2.113 20 5 EEBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000193700786 240271460 /nfs/dbraw/zinc/27/14/60/240271460.db2.gz CEKXSOFAJNMTKM-ZBEGNZNMSA-N 1 0 329.356 2.469 20 5 EEBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038098 240339849 /nfs/dbraw/zinc/33/98/49/240339849.db2.gz CNMGYTNWWOOTQF-FZMZJTMJSA-N 1 0 327.812 2.147 20 5 EEBDRO CC(C)[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428243256 241553924 /nfs/dbraw/zinc/55/39/24/241553924.db2.gz WODSPSQTNUHGHN-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)c(OC(F)F)c1 ZINC000445665019 242124788 /nfs/dbraw/zinc/12/47/88/242124788.db2.gz OJGXESZVBVEJEN-UHFFFAOYSA-N 1 0 331.319 2.330 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235720237 242284816 /nfs/dbraw/zinc/28/48/16/242284816.db2.gz VTPPGMZFJWFDPN-GZMMTYOYSA-N 1 0 342.193 2.228 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236796978 242358957 /nfs/dbraw/zinc/35/89/57/242358957.db2.gz WNIVHTIIXFNGPV-CQSZACIVSA-N 1 0 337.445 2.427 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000236797101 242360505 /nfs/dbraw/zinc/36/05/05/242360505.db2.gz WNIVHTIIXFNGPV-AWEZNQCLSA-N 1 0 337.445 2.427 20 5 EEBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc2ccccc2c2cccnc12 ZINC000449709922 242611349 /nfs/dbraw/zinc/61/13/49/242611349.db2.gz KVEYDBPSVDJYGL-OAHLLOKOSA-N 1 0 335.407 2.496 20 5 EEBDRO CN(C(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451774917 243256432 /nfs/dbraw/zinc/25/64/32/243256432.db2.gz CCZICBKOSFEWTD-OAHLLOKOSA-N 1 0 337.420 2.287 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000451959400 243324983 /nfs/dbraw/zinc/32/49/83/243324983.db2.gz AVQSSFVOJAZYBO-MRXNPFEDSA-N 1 0 335.429 2.413 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247167463 243386039 /nfs/dbraw/zinc/38/60/39/243386039.db2.gz AQYRGLVOMDKKAE-MEDUHNTESA-N 1 0 330.388 2.488 20 5 EEBDRO CN(CC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000456174951 244170341 /nfs/dbraw/zinc/17/03/41/244170341.db2.gz UCJSOJAXIJWIDH-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000456534748 244283081 /nfs/dbraw/zinc/28/30/81/244283081.db2.gz TXCNQPKJKJUYOY-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342915142 284200962 /nfs/dbraw/zinc/20/09/62/284200962.db2.gz PBIVPCAKDIUYGJ-GXTWGEPZSA-N 1 0 328.372 2.433 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC[NH2+]C2)cc1SC ZINC000262584346 245045927 /nfs/dbraw/zinc/04/59/27/245045927.db2.gz NRCKBEFXNWSIAI-SNVBAGLBSA-N 1 0 339.417 2.055 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000262586367 245047006 /nfs/dbraw/zinc/04/70/06/245047006.db2.gz OWBMPAJTJZAZJN-KGLIPLIRSA-N 1 0 334.420 2.373 20 5 EEBDRO Cc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000262762622 245166902 /nfs/dbraw/zinc/16/69/02/245166902.db2.gz KUDHFKHGEUCWBD-ZDUSSCGKSA-N 1 0 329.360 2.277 20 5 EEBDRO CCOC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712266 245218691 /nfs/dbraw/zinc/21/86/91/245218691.db2.gz WEVNPJBQIQCEJD-HZPDHXFCSA-N 1 0 338.404 2.226 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000459763411 245239962 /nfs/dbraw/zinc/23/99/62/245239962.db2.gz OALJNNWMMHUKHR-ARFHVFGLSA-N 1 0 345.399 2.247 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000081333746 217384808 /nfs/dbraw/zinc/38/48/08/217384808.db2.gz SAUXSIKFLXEMMI-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264314735 246338938 /nfs/dbraw/zinc/33/89/38/246338938.db2.gz OOLGAQPRHJMXEN-HNNXBMFYSA-N 1 0 342.399 2.217 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492124262 246312764 /nfs/dbraw/zinc/31/27/64/246312764.db2.gz HUQOWKBBFCWBAO-QGNWLKBCSA-N 1 0 333.363 2.346 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000495343381 247127975 /nfs/dbraw/zinc/12/79/75/247127975.db2.gz UZNZFDWFHOEHEO-UHFFFAOYSA-N 1 0 334.376 2.082 20 5 EEBDRO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457352 248310568 /nfs/dbraw/zinc/31/05/68/248310568.db2.gz PLGVXMAJHKWPQE-OCCSQVGLSA-N 1 0 336.417 2.223 20 5 EEBDRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266496538 248330976 /nfs/dbraw/zinc/33/09/76/248330976.db2.gz WHMFBXHQPBHGJZ-LLVKDONJSA-N 1 0 344.824 2.389 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266563991 248361938 /nfs/dbraw/zinc/36/19/38/248361938.db2.gz PDECUORKVAOOGF-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO Cn1cc(C[N@H+](C)C[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093839637 218252632 /nfs/dbraw/zinc/25/26/32/218252632.db2.gz FUMXRZBYFFSMNV-CYBMUJFWSA-N 1 0 330.388 2.464 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159195 256120967 /nfs/dbraw/zinc/12/09/67/256120967.db2.gz HTJOETVBCLAZPW-IAQYHMDHSA-N 1 0 335.429 2.286 20 5 EEBDRO CC[NH+](CC)CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000270613824 256153900 /nfs/dbraw/zinc/15/39/00/256153900.db2.gz ZUFAIAUOHDSCQY-UHFFFAOYSA-N 1 0 338.452 2.056 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000270736334 256166342 /nfs/dbraw/zinc/16/63/42/256166342.db2.gz KLAKHTMHMWFERE-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO CCC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000270953905 256191685 /nfs/dbraw/zinc/19/16/85/256191685.db2.gz LWWHUQTXOJZEMA-KRWDZBQOSA-N 1 0 349.431 2.097 20 5 EEBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000270961202 256192584 /nfs/dbraw/zinc/19/25/84/256192584.db2.gz XQTWWJWUGMCUSA-UHFFFAOYSA-N 1 0 325.796 2.343 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127363 256211242 /nfs/dbraw/zinc/21/12/42/256211242.db2.gz KTXHEAZEOMNGKN-IAQYHMDHSA-N 1 0 334.376 2.111 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000273589129 256309252 /nfs/dbraw/zinc/30/92/52/256309252.db2.gz HBBYUHPJBCXHGR-HNNXBMFYSA-N 1 0 327.388 2.361 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274106372 256354619 /nfs/dbraw/zinc/35/46/19/256354619.db2.gz VFXVNPBZHAEXAM-GRYCIOLGSA-N 1 0 337.376 2.099 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276655798 256454932 /nfs/dbraw/zinc/45/49/32/256454932.db2.gz JBRGYQVFLIRVPB-UHFFFAOYSA-N 1 0 339.395 2.256 20 5 EEBDRO CSCC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159147634 533646943 /nfs/dbraw/zinc/64/69/43/533646943.db2.gz RMMOGILAVZUNPV-AWEZNQCLSA-N 1 0 325.434 2.114 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000181330126 143840680 /nfs/dbraw/zinc/84/06/80/143840680.db2.gz FKOMZXONVWUVLC-CQSZACIVSA-N 1 0 336.392 2.407 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262580759 152294731 /nfs/dbraw/zinc/29/47/31/152294731.db2.gz OKKRXCRTVPBYJA-QWRGUYRKSA-N 1 0 341.795 2.083 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068226832 159017858 /nfs/dbraw/zinc/01/78/58/159017858.db2.gz YGLSHOPTMQXIHY-ZIAGYGMSSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293637 159151005 /nfs/dbraw/zinc/15/10/05/159151005.db2.gz MZYLRGHMHYFISB-OAHLLOKOSA-N 1 0 347.415 2.354 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192366443 160169872 /nfs/dbraw/zinc/16/98/72/160169872.db2.gz OLYPCHAIEZTGCM-HNNXBMFYSA-N 1 0 329.356 2.129 20 5 EEBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246587893 160285438 /nfs/dbraw/zinc/28/54/38/160285438.db2.gz WOROAJSMFKRHCM-XYPHTWIQSA-N 1 0 330.388 2.030 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248176741 160339868 /nfs/dbraw/zinc/33/98/68/160339868.db2.gz VSERYMNLWVUBTM-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO C[N@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341819196 161015981 /nfs/dbraw/zinc/01/59/81/161015981.db2.gz GHJCKWYKYIURAT-UHFFFAOYSA-N 1 0 328.372 2.238 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000341966056 161027904 /nfs/dbraw/zinc/02/79/04/161027904.db2.gz XXKXRIIGZGNAEI-ZDUSSCGKSA-N 1 0 343.449 2.302 20 5 EEBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000342588243 161076313 /nfs/dbraw/zinc/07/63/13/161076313.db2.gz CMVZBEUZNXKYGP-LLVKDONJSA-N 1 0 331.376 2.144 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000343054656 161098747 /nfs/dbraw/zinc/09/87/47/161098747.db2.gz MMTPUYGSBIZCKY-UHFFFAOYSA-N 1 0 330.344 2.183 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+]1C ZINC000343428325 161135339 /nfs/dbraw/zinc/13/53/39/161135339.db2.gz HIYVRTXVZDAEAM-NHYWBVRUSA-N 1 0 330.388 2.218 20 5 EEBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343483851 161140272 /nfs/dbraw/zinc/14/02/72/161140272.db2.gz FDHYRIHVJSVGQI-YGRLFVJLSA-N 1 0 325.796 2.390 20 5 EEBDRO CS[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000343634104 161153145 /nfs/dbraw/zinc/15/31/45/161153145.db2.gz GALIGUHEPULRTD-HOTGVXAUSA-N 1 0 339.461 2.341 20 5 EEBDRO C[C@H]1[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343803972 161169805 /nfs/dbraw/zinc/16/98/05/161169805.db2.gz WEHNNHIPRBFLNO-LKFCYVNXSA-N 1 0 327.331 2.014 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000344068795 161195369 /nfs/dbraw/zinc/19/53/69/161195369.db2.gz KLLSRLLKWOYKPD-JCGIZDLHSA-N 1 0 347.415 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000344403938 161223933 /nfs/dbraw/zinc/22/39/33/161223933.db2.gz CTDVQLHZEQTKFM-OAHLLOKOSA-N 1 0 335.404 2.129 20 5 EEBDRO Cc1c(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cccc1[N+](=O)[O-] ZINC000355178682 163103267 /nfs/dbraw/zinc/10/32/67/163103267.db2.gz PMVXBTYQRHQTTL-UHFFFAOYSA-N 1 0 338.371 2.384 20 5 EEBDRO CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000355439745 163190026 /nfs/dbraw/zinc/19/00/26/163190026.db2.gz GHPYCDOHTXOEKX-UHFFFAOYSA-N 1 0 337.445 2.460 20 5 EEBDRO CSC1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000355465857 163199263 /nfs/dbraw/zinc/19/92/63/163199263.db2.gz IMSQFJJDHYAAGI-UHFFFAOYSA-N 1 0 341.408 2.291 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1(SC)CC[NH+](C)CC1 ZINC000357558314 163732257 /nfs/dbraw/zinc/73/22/57/163732257.db2.gz KIWKLNYHFMVNNX-UHFFFAOYSA-N 1 0 327.454 2.359 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365206236 165408775 /nfs/dbraw/zinc/40/87/75/165408775.db2.gz WUAIETDAOJBZQK-WMLDXEAASA-N 1 0 333.388 2.389 20 5 EEBDRO O=C(N1CCC[N@@H+]2CCC[C@@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000369857069 166344661 /nfs/dbraw/zinc/34/46/61/166344661.db2.gz QGKOTHAZHUTEOR-CQSZACIVSA-N 1 0 339.342 2.383 20 5 EEBDRO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCCC1 ZINC000373308788 166865413 /nfs/dbraw/zinc/86/54/13/166865413.db2.gz NDINEJWLSFEUPD-AWEZNQCLSA-N 1 0 349.435 2.219 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374095536 167017424 /nfs/dbraw/zinc/01/74/24/167017424.db2.gz ULJLJJLCCAJJCU-LMMKCTJWSA-N 1 0 343.427 2.166 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000375757163 167186811 /nfs/dbraw/zinc/18/68/11/167186811.db2.gz KQEWUJUKGAPUAJ-WMLDXEAASA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122279050 222051854 /nfs/dbraw/zinc/05/18/54/222051854.db2.gz FWVYAYHMZCEIDI-JSGCOSHPSA-N 1 0 332.404 2.062 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122279263 222052335 /nfs/dbraw/zinc/05/23/35/222052335.db2.gz FWVYAYHMZCEIDI-TZMCWYRMSA-N 1 0 332.404 2.062 20 5 EEBDRO C[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123813642 222335859 /nfs/dbraw/zinc/33/58/59/222335859.db2.gz TWKOSXUQVNSSIM-IUODEOHRSA-N 1 0 335.404 2.376 20 5 EEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275181442 269101486 /nfs/dbraw/zinc/10/14/86/269101486.db2.gz WWZFCUBNIHXGKP-KWQFWETISA-N 1 0 331.294 2.341 20 5 EEBDRO O=C(CC[N@@H+]1CCO[C@H]2CCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000275520785 269120726 /nfs/dbraw/zinc/12/07/26/269120726.db2.gz VGEDOYMYWCVEAL-GJZGRUSLSA-N 1 0 337.351 2.316 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000277285100 269147057 /nfs/dbraw/zinc/14/70/57/269147057.db2.gz RSTKZCSBKQDSFD-GFCCVEGCSA-N 1 0 342.355 2.007 20 5 EEBDRO COc1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278315102 269223229 /nfs/dbraw/zinc/22/32/29/269223229.db2.gz USAMJZFAXIWTPQ-UHFFFAOYSA-N 1 0 333.388 2.094 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278508667 269235103 /nfs/dbraw/zinc/23/51/03/269235103.db2.gz JJWJIXSGVLDHFH-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000280466705 269364712 /nfs/dbraw/zinc/36/47/12/269364712.db2.gz GCGBLUUAXGSNDF-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272284976 274166607 /nfs/dbraw/zinc/16/66/07/274166607.db2.gz DZGNBVVMVZESHH-NSHDSACASA-N 1 0 327.331 2.097 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275101928 274222823 /nfs/dbraw/zinc/22/28/23/274222823.db2.gz KDCHDDFJYKLNAP-VXGBXAGGSA-N 1 0 341.458 2.308 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285487051 274740108 /nfs/dbraw/zinc/74/01/08/274740108.db2.gz IKQNKUYQIAYBNY-CKEIUWERSA-N 1 0 346.431 2.480 20 5 EEBDRO CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000285672082 274772556 /nfs/dbraw/zinc/77/25/56/274772556.db2.gz PZMANNOHIHHYDH-KGLIPLIRSA-N 1 0 331.388 2.350 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000286965297 274922399 /nfs/dbraw/zinc/92/23/99/274922399.db2.gz LMRRCHJMQUZAAI-QMMMGPOBSA-N 1 0 344.209 2.346 20 5 EEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000026192315 275040260 /nfs/dbraw/zinc/04/02/60/275040260.db2.gz OAIZVKTWCBBOBR-QGZVFWFLSA-N 1 0 341.411 2.320 20 5 EEBDRO O=C(CC[NH2+][C@H](CO)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000289565889 275128083 /nfs/dbraw/zinc/12/80/83/275128083.db2.gz PHTZDTOXEBSSLF-OAHLLOKOSA-N 1 0 339.367 2.203 20 5 EEBDRO Cc1cnn([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289756385 275145807 /nfs/dbraw/zinc/14/58/07/275145807.db2.gz FRHFTERESUPDJP-KBPBESRZSA-N 1 0 343.387 2.374 20 5 EEBDRO CC(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000290446246 275208107 /nfs/dbraw/zinc/20/81/07/275208107.db2.gz CPXWAUWZFQMEQE-CQSZACIVSA-N 1 0 349.435 2.401 20 5 EEBDRO CC[N@H+](C)Cc1cccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC000290616110 275222947 /nfs/dbraw/zinc/22/29/47/275222947.db2.gz KUQDRIVYHDGGJL-UHFFFAOYSA-N 1 0 343.387 2.153 20 5 EEBDRO COCCCN(C(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291414980 275303029 /nfs/dbraw/zinc/30/30/29/275303029.db2.gz JORDPYCBYCRACV-UHFFFAOYSA-N 1 0 335.404 2.168 20 5 EEBDRO COCCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291463604 275307756 /nfs/dbraw/zinc/30/77/56/275307756.db2.gz PKJVIKSKERPIDB-UHFFFAOYSA-N 1 0 349.431 2.476 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000269354023 276041342 /nfs/dbraw/zinc/04/13/42/276041342.db2.gz HJMIMALUMGFFKS-UHFFFAOYSA-N 1 0 337.424 2.434 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351169881 276331613 /nfs/dbraw/zinc/33/16/13/276331613.db2.gz RJJGTDNGGXMBNT-SWLSCSKDSA-N 1 0 349.435 2.202 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175802789 276337454 /nfs/dbraw/zinc/33/74/54/276337454.db2.gz VDIKPXYNUYPGFN-MRXNPFEDSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H]([NH3+])C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000235144047 278305274 /nfs/dbraw/zinc/30/52/74/278305274.db2.gz KIVZRLIPAWGERS-MRVPVSSYSA-N 1 0 329.198 2.316 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000266456186 279038509 /nfs/dbraw/zinc/03/85/09/279038509.db2.gz YNQHMCWARDSVHL-CYBMUJFWSA-N 1 0 337.445 2.487 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261621417 280198580 /nfs/dbraw/zinc/19/85/80/280198580.db2.gz AANWWUYGWRTAMI-NXEZZACHSA-N 1 0 341.209 2.106 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000268059067 281011216 /nfs/dbraw/zinc/01/12/16/281011216.db2.gz XOVWPLKPKQRTJH-UHFFFAOYSA-N 1 0 329.404 2.349 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457370086 289039651 /nfs/dbraw/zinc/03/96/51/289039651.db2.gz HWCLFZYIIYTTLZ-TZMCWYRMSA-N 1 0 332.404 2.147 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264960593 289472765 /nfs/dbraw/zinc/47/27/65/289472765.db2.gz ZMNHDSSXUXQFGL-CYBMUJFWSA-N 1 0 334.420 2.265 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287456856 293059349 /nfs/dbraw/zinc/05/93/49/293059349.db2.gz RAONPLKAQLETRK-CYBMUJFWSA-N 1 0 333.388 2.048 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287456862 293060086 /nfs/dbraw/zinc/06/00/86/293060086.db2.gz RAONPLKAQLETRK-ZDUSSCGKSA-N 1 0 333.388 2.048 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293570680 293241859 /nfs/dbraw/zinc/24/18/59/293241859.db2.gz XZTJWTRJACVJEG-GJZGRUSLSA-N 1 0 344.415 2.019 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000293864206 293313309 /nfs/dbraw/zinc/31/33/09/293313309.db2.gz BJROAYVGAORLKZ-OKILXGFUSA-N 1 0 335.404 2.223 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000295195865 293643248 /nfs/dbraw/zinc/64/32/48/293643248.db2.gz JPXXNZFWVDQVSB-CYBMUJFWSA-N 1 0 334.420 2.298 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296453686 293982047 /nfs/dbraw/zinc/98/20/47/293982047.db2.gz XCCDFHQLBRIQGH-XGWLTEMNSA-N 1 0 338.404 2.128 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1[NH3+] ZINC000297396234 294232197 /nfs/dbraw/zinc/23/21/97/294232197.db2.gz OSWFELHLBJMTQZ-DCGLDWPTSA-N 1 0 346.431 2.393 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1SC ZINC000297404556 294235305 /nfs/dbraw/zinc/23/53/05/294235305.db2.gz PSWDSMYIMZOZOW-MWLCHTKSSA-N 1 0 339.417 2.277 20 5 EEBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000332676290 312043951 /nfs/dbraw/zinc/04/39/51/312043951.db2.gz QMBYNDGKHXXKNM-IAGOWNOFSA-N 1 0 347.415 2.495 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412245981 312635262 /nfs/dbraw/zinc/63/52/62/312635262.db2.gz OHTGFSSUWXQFAU-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000413183603 312814558 /nfs/dbraw/zinc/81/45/58/312814558.db2.gz VSFMSZYAHMILPJ-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO CCOc1cc(NC(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414757139 313077607 /nfs/dbraw/zinc/07/76/07/313077607.db2.gz KYDSANDJKKREBP-JTQLQIEISA-N 1 0 340.380 2.109 20 5 EEBDRO COc1cc(CNC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414802285 313093317 /nfs/dbraw/zinc/09/33/17/313093317.db2.gz VLDOSGKXODVBGU-LLVKDONJSA-N 1 0 347.362 2.320 20 5 EEBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000414958241 313115447 /nfs/dbraw/zinc/11/54/47/313115447.db2.gz WLJFTXDJXBXQJB-UHFFFAOYSA-N 1 0 344.318 2.412 20 5 EEBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000417237627 313460129 /nfs/dbraw/zinc/46/01/29/313460129.db2.gz XBSLZMLIUPMCRS-INIZCTEOSA-N 1 0 334.420 2.344 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417711873 313573866 /nfs/dbraw/zinc/57/38/66/313573866.db2.gz DYLHDBHPWXZNST-KGLIPLIRSA-N 1 0 349.435 2.097 20 5 EEBDRO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420930784 314000486 /nfs/dbraw/zinc/00/04/86/314000486.db2.gz SKDGJBGZRPOEGJ-CHWSQXEVSA-N 1 0 338.408 2.234 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000420934777 314001055 /nfs/dbraw/zinc/00/10/55/314001055.db2.gz HFCHREDKOLBABJ-XBFCOCLRSA-N 1 0 335.404 2.181 20 5 EEBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000421009666 314024012 /nfs/dbraw/zinc/02/40/12/314024012.db2.gz CDIXRWYFQIOEFV-DLBZAZTESA-N 1 0 344.415 2.420 20 5 EEBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028351 314030889 /nfs/dbraw/zinc/03/08/89/314030889.db2.gz UGWVCLHJCRJQJQ-OLZOCXBDSA-N 1 0 338.408 2.091 20 5 EEBDRO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000425067873 314328112 /nfs/dbraw/zinc/32/81/12/314328112.db2.gz SAGXEFDNZWVXGC-MQIPJXDCSA-N 1 0 335.379 2.390 20 5 EEBDRO CN(C(=O)CN1CC[NH2+]CC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000431073867 314612111 /nfs/dbraw/zinc/61/21/11/314612111.db2.gz NEWAJIMLJBPYKO-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO C[NH2+][C@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435394575 314900243 /nfs/dbraw/zinc/90/02/43/314900243.db2.gz OBDSMZMFKHXKJB-NSHDSACASA-N 1 0 345.346 2.041 20 5 EEBDRO COc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444623414 315312380 /nfs/dbraw/zinc/31/23/80/315312380.db2.gz SQDCYBCIALOWLB-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449200473 315431641 /nfs/dbraw/zinc/43/16/41/315431641.db2.gz HERGGGBIGOTNDL-ZIAGYGMSSA-N 1 0 333.388 2.065 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000516966379 316621865 /nfs/dbraw/zinc/62/18/65/316621865.db2.gz ZLGBRFPSHRKQET-INIZCTEOSA-N 1 0 334.347 2.306 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000521508391 316918105 /nfs/dbraw/zinc/91/81/05/316918105.db2.gz NHUYCHCGSPGCMU-UHFFFAOYSA-N 1 0 334.420 2.271 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536628049 318005266 /nfs/dbraw/zinc/00/52/66/318005266.db2.gz WZEHZSPZDSIFLM-KBPBESRZSA-N 1 0 337.420 2.365 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000540170657 318071376 /nfs/dbraw/zinc/07/13/76/318071376.db2.gz ITIOLBWFDNOOLW-BLLLJJGKSA-N 1 0 343.387 2.093 20 5 EEBDRO CNc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000540890645 318081361 /nfs/dbraw/zinc/08/13/61/318081361.db2.gz KSGLVHWJDNMCMG-LBPRGKRZSA-N 1 0 334.420 2.439 20 5 EEBDRO CN(CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cc[nH+]cc1 ZINC000541852530 318111888 /nfs/dbraw/zinc/11/18/88/318111888.db2.gz VKCPDTGQIMFVBD-UHFFFAOYSA-N 1 0 343.387 2.044 20 5 EEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000542524570 318131656 /nfs/dbraw/zinc/13/16/56/318131656.db2.gz DYBMJKLMTXVADQ-GFCCVEGCSA-N 1 0 329.784 2.447 20 5 EEBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000546180251 318246025 /nfs/dbraw/zinc/24/60/25/318246025.db2.gz UBDZCVYDXJHDME-INIZCTEOSA-N 1 0 347.802 2.477 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1[N+](=O)[O-] ZINC000564655397 319098505 /nfs/dbraw/zinc/09/85/05/319098505.db2.gz IKBMVVLEJQNHNC-GOEBONIOSA-N 1 0 347.415 2.262 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000567465301 319382251 /nfs/dbraw/zinc/38/22/51/319382251.db2.gz XXZXYRQPGVQURY-KGLIPLIRSA-N 1 0 344.367 2.100 20 5 EEBDRO [NH3+]CCCCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000568505040 319494949 /nfs/dbraw/zinc/49/49/49/319494949.db2.gz IBDGQLWGVKFLQY-UHFFFAOYSA-N 1 0 348.325 2.271 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000573930891 319980388 /nfs/dbraw/zinc/98/03/88/319980388.db2.gz GAJTZUFXHZWVGK-MRXNPFEDSA-N 1 0 347.415 2.340 20 5 EEBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000574151091 320000271 /nfs/dbraw/zinc/00/02/71/320000271.db2.gz WDMNMPSHQWFJEF-UHFFFAOYSA-N 1 0 342.193 2.311 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000577408452 320254147 /nfs/dbraw/zinc/25/41/47/320254147.db2.gz XXBRECYZYMMVDL-LLVKDONJSA-N 1 0 327.344 2.459 20 5 EEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000578065035 320292211 /nfs/dbraw/zinc/29/22/11/320292211.db2.gz BNSWLXHDPQZGLZ-SECBINFHSA-N 1 0 340.323 2.157 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581022288 324171972 /nfs/dbraw/zinc/17/19/72/324171972.db2.gz QYNYYPQOYJAQBA-CVEARBPZSA-N 1 0 349.431 2.349 20 5 EEBDRO C[NH+](C)C1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000611710029 449390771 /nfs/dbraw/zinc/39/07/71/449390771.db2.gz XQIVIEHTDTXQLO-UHFFFAOYSA-N 1 0 331.376 2.061 20 5 EEBDRO CC(C)OCCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000173171138 464201439 /nfs/dbraw/zinc/20/14/39/464201439.db2.gz IEOOOBMXKPNAAU-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336794083 465047594 /nfs/dbraw/zinc/04/75/94/465047594.db2.gz ZPBFGSFBDPRJFN-HZPDHXFCSA-N 1 0 341.415 2.287 20 5 EEBDRO Cc1c(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358693023 465268355 /nfs/dbraw/zinc/26/83/55/465268355.db2.gz QILQULQLSSWJHI-ZDUSSCGKSA-N 1 0 332.404 2.187 20 5 EEBDRO COCC1(C)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000358774327 465314678 /nfs/dbraw/zinc/31/46/78/465314678.db2.gz WYWIDIVZCKKBEO-HNNXBMFYSA-N 1 0 338.404 2.083 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000074764058 462631953 /nfs/dbraw/zinc/63/19/53/462631953.db2.gz OEFQSSXXZLYNND-INIZCTEOSA-N 1 0 346.431 2.407 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2c(c1)COCO2 ZINC000046092698 462647768 /nfs/dbraw/zinc/64/77/68/462647768.db2.gz WICWEHZAZBXVHR-LBPRGKRZSA-N 1 0 334.372 2.462 20 5 EEBDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000128915419 462679924 /nfs/dbraw/zinc/67/99/24/462679924.db2.gz YHINICVRQZLSKI-AWEZNQCLSA-N 1 0 342.403 2.137 20 5 EEBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)c1 ZINC000046708146 462696675 /nfs/dbraw/zinc/69/66/75/462696675.db2.gz DWAVFWDDKNKBGF-ZDUSSCGKSA-N 1 0 333.344 2.229 20 5 EEBDRO Cc1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000089644991 462702577 /nfs/dbraw/zinc/70/25/77/462702577.db2.gz LXBKSPCWQHSVBW-HOTGVXAUSA-N 1 0 342.399 2.346 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000075955141 462777264 /nfs/dbraw/zinc/77/72/64/462777264.db2.gz QGCVBAJDBJDLJB-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO C[NH+]1CCN(C[C@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000065479802 462778491 /nfs/dbraw/zinc/77/84/91/462778491.db2.gz OUVUKIZTOGDLJU-INIZCTEOSA-N 1 0 341.415 2.390 20 5 EEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)cc1 ZINC000090517903 462795439 /nfs/dbraw/zinc/79/54/39/462795439.db2.gz TXECEDDDSKBMPF-UHFFFAOYSA-N 1 0 331.372 2.287 20 5 EEBDRO COc1cc(F)c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090538241 462796418 /nfs/dbraw/zinc/79/64/18/462796418.db2.gz UDAPPQWBLCNSQG-JTQLQIEISA-N 1 0 338.339 2.298 20 5 EEBDRO CC(C)C[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065901148 462838466 /nfs/dbraw/zinc/83/84/66/462838466.db2.gz ZCZPASWLNJTNBT-UHFFFAOYSA-N 1 0 334.420 2.243 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC1 ZINC000091481461 462882589 /nfs/dbraw/zinc/88/25/89/462882589.db2.gz FJAYHRZYBXRLSB-MRXNPFEDSA-N 1 0 332.404 2.239 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000048366325 462901720 /nfs/dbraw/zinc/90/17/20/462901720.db2.gz ZUPCZNPHPVEXBT-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Cn3ccnn3)CC2)cc1 ZINC000155725483 462933885 /nfs/dbraw/zinc/93/38/85/462933885.db2.gz WRGJUHDDJWBVKY-UHFFFAOYSA-N 1 0 345.403 2.367 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133487487 462938270 /nfs/dbraw/zinc/93/82/70/462938270.db2.gz OOCDMDQBIOXSKY-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067272802 462986631 /nfs/dbraw/zinc/98/66/31/462986631.db2.gz LFZAJOLYTQAOBQ-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000568408846 468334051 /nfs/dbraw/zinc/33/40/51/468334051.db2.gz BTENEDOKCZYUFM-UKRRQHHQSA-N 1 0 346.431 2.149 20 5 EEBDRO C[NH+]1CCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000022874687 463057502 /nfs/dbraw/zinc/05/75/02/463057502.db2.gz LWQDOEOIYHSQCQ-UHFFFAOYSA-N 1 0 327.388 2.354 20 5 EEBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000121018846 463066363 /nfs/dbraw/zinc/06/63/63/463066363.db2.gz VIBWNRUGUMWVAG-UHFFFAOYSA-N 1 0 328.372 2.357 20 5 EEBDRO CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000156904416 463080870 /nfs/dbraw/zinc/08/08/70/463080870.db2.gz SLEWBMJECVUYKO-HNNXBMFYSA-N 1 0 343.449 2.307 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000157031332 463092300 /nfs/dbraw/zinc/09/23/00/463092300.db2.gz YQSUSAQGHMBYIF-ABAIWWIYSA-N 1 0 343.387 2.027 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068467502 463140407 /nfs/dbraw/zinc/14/04/07/463140407.db2.gz RWHNIXHGGDCNBH-ZDUSSCGKSA-N 1 0 342.399 2.150 20 5 EEBDRO C[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000053349473 463153525 /nfs/dbraw/zinc/15/35/25/463153525.db2.gz JJIUNSDHHHYFRO-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027142604 463183659 /nfs/dbraw/zinc/18/36/59/463183659.db2.gz GXGRQXJHZVRBIV-UHFFFAOYSA-N 1 0 343.387 2.416 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000069470136 463254374 /nfs/dbraw/zinc/25/43/74/463254374.db2.gz JYMICZGNXLIJEQ-CQSZACIVSA-N 1 0 344.415 2.398 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000069471968 463254454 /nfs/dbraw/zinc/25/44/54/463254454.db2.gz BJHKADWMIIEUSM-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000097019014 463304599 /nfs/dbraw/zinc/30/45/99/463304599.db2.gz RSWWWKCLVRCCGE-JKSUJKDBSA-N 1 0 348.403 2.094 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055407049 463317941 /nfs/dbraw/zinc/31/79/41/463317941.db2.gz IAZWTWPOUYJBGN-NWDGAFQWSA-N 1 0 345.403 2.321 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000160507428 463344531 /nfs/dbraw/zinc/34/45/31/463344531.db2.gz FGVBPZSVIJBOGV-HIFRSBDPSA-N 1 0 346.431 2.265 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160786811 463370797 /nfs/dbraw/zinc/37/07/97/463370797.db2.gz ZIXRDDSJMGUNDY-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056342805 463393646 /nfs/dbraw/zinc/39/36/46/463393646.db2.gz KPNURHVHXBQBIC-UHFFFAOYSA-N 1 0 334.351 2.266 20 5 EEBDRO NC(=O)c1ccc(CN2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000125391093 463538785 /nfs/dbraw/zinc/53/87/85/463538785.db2.gz TYKZMFXHAWUORM-HNNXBMFYSA-N 1 0 326.356 2.426 20 5 EEBDRO CCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000125898557 463589525 /nfs/dbraw/zinc/58/95/25/463589525.db2.gz TUCKVGXVUWNEAZ-GFCCVEGCSA-N 1 0 329.422 2.041 20 5 EEBDRO CC(C)([NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000168404446 463666123 /nfs/dbraw/zinc/66/61/23/463666123.db2.gz NSUMOGRXFZKHER-UHFFFAOYSA-N 1 0 335.145 2.349 20 5 EEBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170732056 463700512 /nfs/dbraw/zinc/70/05/12/463700512.db2.gz VFSULOFZUWSSGH-AWEZNQCLSA-N 1 0 335.404 2.341 20 5 EEBDRO CC1CCC([NH+]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000193589326 463720162 /nfs/dbraw/zinc/72/01/62/463720162.db2.gz QTOMGFLHPATXQY-UHFFFAOYSA-N 1 0 348.403 2.032 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC[NH2+]CC2 ZINC000276696952 463721842 /nfs/dbraw/zinc/72/18/42/463721842.db2.gz NMWRIGAVUKEUOI-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO CC[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000255413644 463724675 /nfs/dbraw/zinc/72/46/75/463724675.db2.gz ZHKDYWVISQYTHI-HLRDLLSLSA-N 1 0 347.415 2.177 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185135326 463759750 /nfs/dbraw/zinc/75/97/50/463759750.db2.gz LOAYGBWRSSPFOK-FKGLVLAHSA-N 1 0 335.429 2.271 20 5 EEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000286983860 463763226 /nfs/dbraw/zinc/76/32/26/463763226.db2.gz OXXNMGPSQCFFND-GXTWGEPZSA-N 1 0 336.417 2.297 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276829020 463770730 /nfs/dbraw/zinc/77/07/30/463770730.db2.gz OHGSLHVCVFKFMI-GFCCVEGCSA-N 1 0 333.388 2.292 20 5 EEBDRO COCCN1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000268901076 463800830 /nfs/dbraw/zinc/80/08/30/463800830.db2.gz LBBSADFCKPVGJZ-SJORKVTESA-N 1 0 333.432 2.226 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000287136772 463810538 /nfs/dbraw/zinc/81/05/38/463810538.db2.gz DNGIZEBPZKHIFK-ZDUSSCGKSA-N 1 0 348.403 2.231 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000287184689 463825844 /nfs/dbraw/zinc/82/58/44/463825844.db2.gz TYUJLDUJDCNBEP-UKRRQHHQSA-N 1 0 346.431 2.404 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261711413 463835162 /nfs/dbraw/zinc/83/51/62/463835162.db2.gz BXNIYXUZBQYGGY-ZUZCIYMTSA-N 1 0 341.795 2.213 20 5 EEBDRO 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CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000271358237 464293509 /nfs/dbraw/zinc/29/35/09/464293509.db2.gz QOKDFPSHQGHLPM-BLLLJJGKSA-N 1 0 330.388 2.198 20 5 EEBDRO Cc1sc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000237698378 464365116 /nfs/dbraw/zinc/36/51/16/464365116.db2.gz OJTXRIXYARYAAT-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H](C)[N@H+]1C ZINC000292861464 464368666 /nfs/dbraw/zinc/36/86/66/464368666.db2.gz SESMEHHYVKNDKM-TXEJJXNPSA-N 1 0 334.376 2.080 20 5 EEBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCCCC1 ZINC000180813727 464401276 /nfs/dbraw/zinc/40/12/76/464401276.db2.gz XBCXIZDXJFUOQG-LBPRGKRZSA-N 1 0 349.387 2.175 20 5 EEBDRO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294403974 464490485 /nfs/dbraw/zinc/49/04/85/464490485.db2.gz MECRFEDKQQMVLN-UHFFFAOYSA-N 1 0 327.356 2.060 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265370256 464533658 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EEBDRO C[N@H+](CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000265824618 464700520 /nfs/dbraw/zinc/70/05/20/464700520.db2.gz NJRKUALSKUEOHU-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000295152596 464724539 /nfs/dbraw/zinc/72/45/39/464724539.db2.gz AJVXTCQRKXYXNO-YMRXKLBXSA-N 1 0 347.415 2.133 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)[C@H]2CCCc3ccccc32)n1 ZINC000176242662 464730030 /nfs/dbraw/zinc/73/00/30/464730030.db2.gz VSRSNTVBWKHYQF-INIZCTEOSA-N 1 0 330.388 2.163 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000295170202 464731145 /nfs/dbraw/zinc/73/11/45/464731145.db2.gz RPPITLUZRLEWNY-VHSXEESVSA-N 1 0 337.351 2.098 20 5 EEBDRO C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176286375 464739962 /nfs/dbraw/zinc/73/99/62/464739962.db2.gz CDDKPMMOKNBXIW-MRXNPFEDSA-N 1 0 343.431 2.388 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 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EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000356891861 465606071 /nfs/dbraw/zinc/60/60/71/465606071.db2.gz WNODDYSJFSRQPO-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519080 465647751 /nfs/dbraw/zinc/64/77/51/465647751.db2.gz AEURLKGZPYGWKD-OLZOCXBDSA-N 1 0 343.330 2.308 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000299223654 465653417 /nfs/dbraw/zinc/65/34/17/465653417.db2.gz ONUXGASVHANPGU-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO CNc1c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000360953109 465659370 /nfs/dbraw/zinc/65/93/70/465659370.db2.gz FLOFKDDDKGMBDQ-CYBMUJFWSA-N 1 0 334.420 2.344 20 5 EEBDRO CNc1c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000360953110 465659387 /nfs/dbraw/zinc/65/93/87/465659387.db2.gz FLOFKDDDKGMBDQ-ZDUSSCGKSA-N 1 0 334.420 2.344 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000299239244 465660464 /nfs/dbraw/zinc/66/04/64/465660464.db2.gz UXECDQNBQSAJKA-UHFFFAOYSA-N 1 0 347.415 2.415 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356973133 465669399 /nfs/dbraw/zinc/66/93/99/465669399.db2.gz IGCUHCDYTVYRGP-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000348655747 465729612 /nfs/dbraw/zinc/72/96/12/465729612.db2.gz AJGCRCUAAAUOPQ-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344628757 465733012 /nfs/dbraw/zinc/73/30/12/465733012.db2.gz ATHOGDNVOOEKDY-OAHLLOKOSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000361218904 465844486 /nfs/dbraw/zinc/84/44/86/465844486.db2.gz AEUSBHGUTQSQRP-CYBMUJFWSA-N 1 0 334.420 2.440 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)c1 ZINC000361252296 465863376 /nfs/dbraw/zinc/86/33/76/465863376.db2.gz OPMUUHKGVBGSSY-GXFFZTMASA-N 1 0 332.360 2.242 20 5 EEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000591356545 468457744 /nfs/dbraw/zinc/45/77/44/468457744.db2.gz OHKZWFOVRRAQIX-ZDUSSCGKSA-N 1 0 340.811 2.232 20 5 EEBDRO CNC(=O)COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000338184975 465884047 /nfs/dbraw/zinc/88/40/47/465884047.db2.gz KOPGOMWPKNADAZ-UHFFFAOYSA-N 1 0 329.356 2.009 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000357296131 465921734 /nfs/dbraw/zinc/92/17/34/465921734.db2.gz DTPXUXDAAPLCNF-BLLLJJGKSA-N 1 0 337.395 2.465 20 5 EEBDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000349057688 465944073 /nfs/dbraw/zinc/94/40/73/465944073.db2.gz RONWMKKEUAAKCC-CYBMUJFWSA-N 1 0 326.356 2.367 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357375223 465986589 /nfs/dbraw/zinc/98/65/89/465986589.db2.gz NFWJEWZZRGLAKU-NSHDSACASA-N 1 0 344.371 2.192 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000362746551 465997242 /nfs/dbraw/zinc/99/72/42/465997242.db2.gz IQINZXXKOARETN-OAHLLOKOSA-N 1 0 349.431 2.476 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000580120139 468469015 /nfs/dbraw/zinc/46/90/15/468469015.db2.gz QZQPABQCARCMCC-CYBMUJFWSA-N 1 0 330.388 2.184 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]3CC[NH2+][C@H]3C2)ncc1[N+](=O)[O-] ZINC000591436910 468469278 /nfs/dbraw/zinc/46/92/78/468469278.db2.gz COCZKHQROSFBQD-UWVGGRQHSA-N 1 0 341.209 2.249 20 5 EEBDRO O=C(c1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591439805 468470360 /nfs/dbraw/zinc/47/03/60/468470360.db2.gz YDQJCJAKNDTVGR-CZUORRHYSA-N 1 0 344.415 2.019 20 5 EEBDRO O=C1[C@H]([NH+]2CCC(CCCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331629221 466170865 /nfs/dbraw/zinc/17/08/65/466170865.db2.gz ICVHANMPBSXZKT-QGZVFWFLSA-N 1 0 347.415 2.185 20 5 EEBDRO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049626 466194499 /nfs/dbraw/zinc/19/44/99/466194499.db2.gz OCWZDUDPFRXXPW-DLBZAZTESA-N 1 0 330.388 2.298 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000303058366 466220944 /nfs/dbraw/zinc/22/09/44/466220944.db2.gz XJLVKSVTMDNPOM-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000331727298 466221174 /nfs/dbraw/zinc/22/11/74/466221174.db2.gz NXXOQFJWFFPRNU-RHSMWYFYSA-N 1 0 345.403 2.083 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340671059 466254547 /nfs/dbraw/zinc/25/45/47/466254547.db2.gz BSFGQXGUZLGWQQ-MRXNPFEDSA-N 1 0 330.388 2.391 20 5 EEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304241685 466266148 /nfs/dbraw/zinc/26/61/48/466266148.db2.gz SKTBMLIWQSDQQS-TZMCWYRMSA-N 1 0 349.387 2.128 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000354004179 466316912 /nfs/dbraw/zinc/31/69/12/466316912.db2.gz APXQLQAOXANLLY-CQSZACIVSA-N 1 0 346.431 2.361 20 5 EEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372364023 466331547 /nfs/dbraw/zinc/33/15/47/466331547.db2.gz DANJMOYWFWRREQ-SFHVURJKSA-N 1 0 332.448 2.195 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332120011 466398507 /nfs/dbraw/zinc/39/85/07/466398507.db2.gz FLXVLUUVSKGKEA-CJNGLKHVSA-N 1 0 332.404 2.092 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000347289343 466538992 /nfs/dbraw/zinc/53/89/92/466538992.db2.gz QXXQUVJVTCYOMC-RBFDBLARSA-N 1 0 333.432 2.387 20 5 EEBDRO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000347417017 466622405 /nfs/dbraw/zinc/62/24/05/466622405.db2.gz CVYHBBHUPHVKGD-HZSPNIEDSA-N 1 0 347.415 2.446 20 5 EEBDRO CCC[NH2+]CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423458542 466752709 /nfs/dbraw/zinc/75/27/09/466752709.db2.gz KGFNKYXAMMQFAT-UHFFFAOYSA-N 1 0 331.825 2.456 20 5 EEBDRO [NH3+][C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000423487410 466757162 /nfs/dbraw/zinc/75/71/62/466757162.db2.gz XETQGHGBORDHSK-JTQLQIEISA-N 1 0 329.809 2.194 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000423495789 466758414 /nfs/dbraw/zinc/75/84/14/466758414.db2.gz VLZVEGHVFOOYFX-UONOGXRCSA-N 1 0 339.461 2.434 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417234436 466811759 /nfs/dbraw/zinc/81/17/59/466811759.db2.gz PSUUKJDOKQGMRT-CVEARBPZSA-N 1 0 346.431 2.168 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417708227 466914241 /nfs/dbraw/zinc/91/42/41/466914241.db2.gz BTYKOVAETXCZAM-CABCVRRESA-N 1 0 334.420 2.487 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000373805477 466925349 /nfs/dbraw/zinc/92/53/49/466925349.db2.gz DKIOZWUOHQOPRP-YNZJMPHRSA-N 1 0 349.387 2.088 20 5 EEBDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365818717 466949407 /nfs/dbraw/zinc/94/94/07/466949407.db2.gz GOSCKXHEWBMUNO-QWHCGFSZSA-N 1 0 337.424 2.122 20 5 EEBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000412057231 466986579 /nfs/dbraw/zinc/98/65/79/466986579.db2.gz QNMNGCHYNJMPPR-OAHLLOKOSA-N 1 0 347.415 2.451 20 5 EEBDRO CN(C)C(=O)c1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418064211 467037702 /nfs/dbraw/zinc/03/77/02/467037702.db2.gz HUPXYMOYRHWLIF-UHFFFAOYSA-N 1 0 342.399 2.262 20 5 EEBDRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418397725 467105391 /nfs/dbraw/zinc/10/53/91/467105391.db2.gz JPDWKBAWAOTVGR-ZBFHGGJFSA-N 1 0 332.404 2.221 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413158977 467180570 /nfs/dbraw/zinc/18/05/70/467180570.db2.gz WOVKQRMKODHCSA-QGZVFWFLSA-N 1 0 346.362 2.178 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c2cccnc21 ZINC000413328777 467217077 /nfs/dbraw/zinc/21/70/77/467217077.db2.gz OAINWDIFELTDMJ-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433064101 467287772 /nfs/dbraw/zinc/28/77/72/467287772.db2.gz VUPYVDZRGCSUPW-DOTOQJQBSA-N 1 0 330.388 2.032 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000378397480 467290339 /nfs/dbraw/zinc/29/03/39/467290339.db2.gz OZFOBBJYVPALAY-KBPBESRZSA-N 1 0 347.415 2.332 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000429078154 467298874 /nfs/dbraw/zinc/29/88/74/467298874.db2.gz RYIPDVAWIHSPTA-ZIAGYGMSSA-N 1 0 346.431 2.252 20 5 EEBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000420307888 467347855 /nfs/dbraw/zinc/34/78/55/467347855.db2.gz JCGGSHBKNNBDNV-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO NC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420374060 467383431 /nfs/dbraw/zinc/38/34/31/467383431.db2.gz RVAKWXJWVJZMDO-OAHLLOKOSA-N 1 0 334.420 2.421 20 5 EEBDRO CC[NH2+]CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430545148 467437299 /nfs/dbraw/zinc/43/72/99/467437299.db2.gz HHPFGDPOMADWLE-CYBMUJFWSA-N 1 0 334.420 2.243 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580030 467445360 /nfs/dbraw/zinc/44/53/60/467445360.db2.gz DCXHDOGJPVBBCX-JKSUJKDBSA-N 1 0 334.420 2.005 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430603419 467448871 /nfs/dbraw/zinc/44/88/71/467448871.db2.gz KCBRHJAAHFJZIT-NSHDSACASA-N 1 0 340.811 2.118 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652569 467455244 /nfs/dbraw/zinc/45/52/44/467455244.db2.gz NKUZTQYNPHHCPA-TZMCWYRMSA-N 1 0 348.403 2.095 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430648425 467455600 /nfs/dbraw/zinc/45/56/00/467455600.db2.gz QZDRYTHBDVNANC-CZUORRHYSA-N 1 0 334.420 2.434 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000430785029 467466600 /nfs/dbraw/zinc/46/66/00/467466600.db2.gz SNFOSYDQZICHIU-KGLIPLIRSA-N 1 0 335.404 2.223 20 5 EEBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000408041924 467498758 /nfs/dbraw/zinc/49/87/58/467498758.db2.gz OZWROKNYAXUCFA-VXGBXAGGSA-N 1 0 341.433 2.006 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415307730 467540372 /nfs/dbraw/zinc/54/03/72/467540372.db2.gz ZBYIQPDHDQXCGM-NSHDSACASA-N 1 0 328.319 2.330 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000449636806 467673386 /nfs/dbraw/zinc/67/33/86/467673386.db2.gz FGOYDPJIRJHHDK-DGCLKSJQSA-N 1 0 332.404 2.416 20 5 EEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449682769 467688103 /nfs/dbraw/zinc/68/81/03/467688103.db2.gz OMIIXPAVQJZVPJ-ZDUSSCGKSA-N 1 0 343.387 2.043 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449720928 467699470 /nfs/dbraw/zinc/69/94/70/467699470.db2.gz TVDZHHIPQVFGDF-GJZGRUSLSA-N 1 0 349.434 2.398 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000492921879 467795567 /nfs/dbraw/zinc/79/55/67/467795567.db2.gz MFLSJWSUFRXHOL-IVZVJUQRSA-N 1 0 333.363 2.301 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c2ncccc12 ZINC000450596232 467876644 /nfs/dbraw/zinc/87/66/44/467876644.db2.gz NJBYEZUYGUGGHE-ZDUSSCGKSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514637912 467944374 /nfs/dbraw/zinc/94/43/74/467944374.db2.gz WCUVSNHMIQXWQO-RBDSIQFVSA-N 1 0 333.388 2.325 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C\c2ccncc2)cc1 ZINC000487550668 468044803 /nfs/dbraw/zinc/04/48/03/468044803.db2.gz RNIDRNPTCCFLQC-UPHRSURJSA-N 1 0 347.396 2.067 20 5 EEBDRO CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000488035138 468067593 /nfs/dbraw/zinc/06/75/93/468067593.db2.gz WBXZGEIWXKDATL-BBRMVZONSA-N 1 0 334.420 2.194 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000518278150 468110650 /nfs/dbraw/zinc/11/06/50/468110650.db2.gz FBEGTKYGHJHODK-UHFFFAOYSA-N 1 0 332.360 2.126 20 5 EEBDRO CC(C)Oc1nc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000567366814 468169964 /nfs/dbraw/zinc/16/99/64/468169964.db2.gz KTFJXSJFUBRXQK-UHFFFAOYSA-N 1 0 334.420 3.063 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000490045167 468190047 /nfs/dbraw/zinc/19/00/47/468190047.db2.gz SINXSRXYWVMBHZ-GLQYFDAESA-N 1 0 333.388 2.140 20 5 EEBDRO Cc1ccccc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000549698444 468193484 /nfs/dbraw/zinc/19/34/84/468193484.db2.gz DYQQZCQFEVPAFX-QGZVFWFLSA-N 1 0 330.384 2.475 20 5 EEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000551039842 468230904 /nfs/dbraw/zinc/23/09/04/468230904.db2.gz WRAMDIMBWXRMRU-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594195349 468508821 /nfs/dbraw/zinc/50/88/21/468508821.db2.gz FZRZICZNPDJQCF-RDJZCZTQSA-N 1 0 347.415 2.415 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197803 468509715 /nfs/dbraw/zinc/50/97/15/468509715.db2.gz PWEYRUIJNZYPHL-LSDHHAIUSA-N 1 0 347.415 2.279 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC(C)C)c1 ZINC000591753723 468514341 /nfs/dbraw/zinc/51/43/41/468514341.db2.gz TULXWANQPBEPDA-MRXNPFEDSA-N 1 0 348.403 2.038 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000591759478 468516595 /nfs/dbraw/zinc/51/65/95/468516595.db2.gz TWSLLNAPRATWIX-ZFWWWQNUSA-N 1 0 326.418 2.210 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000594389267 468569585 /nfs/dbraw/zinc/56/95/85/468569585.db2.gz HMNJASGYGDIQHG-UHFFFAOYSA-N 1 0 337.424 2.388 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000594390332 468570335 /nfs/dbraw/zinc/57/03/35/468570335.db2.gz VDNCGEOBORRDPB-UHFFFAOYSA-N 1 0 345.403 2.418 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594417634 468578279 /nfs/dbraw/zinc/57/82/79/468578279.db2.gz CXJQGJURVVHLLY-DGCLKSJQSA-N 1 0 335.408 2.017 20 5 EEBDRO CN1CC[NH+](CCCSCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600567725 468594383 /nfs/dbraw/zinc/59/43/83/468594383.db2.gz CEQRZDMTZKZZMM-UHFFFAOYSA-N 1 0 339.461 2.344 20 5 EEBDRO C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000583058912 468636246 /nfs/dbraw/zinc/63/62/46/468636246.db2.gz MEBKBBAVIWOSIJ-AWEZNQCLSA-N 1 0 347.415 2.022 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628872 468639521 /nfs/dbraw/zinc/63/95/21/468639521.db2.gz MRWFVSSKTMASIP-UHFFFAOYSA-N 1 0 333.388 2.352 20 5 EEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583079785 468641062 /nfs/dbraw/zinc/64/10/62/468641062.db2.gz LNMBJBLTNBMSTD-CJNGLKHVSA-N 1 0 346.383 2.261 20 5 EEBDRO Cc1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1[N+](=O)[O-] ZINC000592477637 468706518 /nfs/dbraw/zinc/70/65/18/468706518.db2.gz FPXYDVHPMYQHKB-NSHDSACASA-N 1 0 329.360 2.188 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597921813 468711564 /nfs/dbraw/zinc/71/15/64/468711564.db2.gz BUHYUMOUFSKIJB-SNVBAGLBSA-N 1 0 331.376 2.074 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567941 468730818 /nfs/dbraw/zinc/73/08/18/468730818.db2.gz GCQVIOKAGJNKFC-CYBMUJFWSA-N 1 0 333.388 2.155 20 5 EEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000597992447 468733155 /nfs/dbraw/zinc/73/31/55/468733155.db2.gz LJQBWWOOZULEAD-VIFPVBQESA-N 1 0 331.319 2.266 20 5 EEBDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000594965762 468733754 /nfs/dbraw/zinc/73/37/54/468733754.db2.gz JKMOVSSHJWBKOF-AWEZNQCLSA-N 1 0 341.367 2.499 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]CCC(C)(C)F)cc1[N+](=O)[O-] ZINC000594973673 468734966 /nfs/dbraw/zinc/73/49/66/468734966.db2.gz TVXBKJQRSSXKEP-UHFFFAOYSA-N 1 0 328.340 2.374 20 5 EEBDRO COCC[NH+]1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601109802 468744925 /nfs/dbraw/zinc/74/49/25/468744925.db2.gz YYLYRVIIKYHLJD-UHFFFAOYSA-N 1 0 330.388 2.088 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571402675 468783687 /nfs/dbraw/zinc/78/36/87/468783687.db2.gz WVHASQXKNSOREN-RHSMWYFYSA-N 1 0 347.415 2.262 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598219992 468797340 /nfs/dbraw/zinc/79/73/40/468797340.db2.gz NCGFOOJJVXEDCZ-LBPRGKRZSA-N 1 0 349.435 2.407 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598222076 468797568 /nfs/dbraw/zinc/79/75/68/468797568.db2.gz ZWAXDMJLSIYNME-AWEZNQCLSA-N 1 0 347.415 2.497 20 5 EEBDRO CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592830081 468799155 /nfs/dbraw/zinc/79/91/55/468799155.db2.gz BGOQIBPPEUIAGW-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000601330372 468828282 /nfs/dbraw/zinc/82/82/82/468828282.db2.gz SDAMIRJBEQPICS-PHIMTYICSA-N 1 0 343.330 2.141 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCN(CC(F)F)CC1 ZINC000560603012 468832721 /nfs/dbraw/zinc/83/27/21/468832721.db2.gz OLMJNOJUNBFEDG-UHFFFAOYSA-N 1 0 341.358 2.231 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595490304 468874009 /nfs/dbraw/zinc/87/40/09/468874009.db2.gz PGTBQVALGKGPGC-NUEKZKHPSA-N 1 0 335.379 2.471 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521865 468887982 /nfs/dbraw/zinc/88/79/82/468887982.db2.gz FXDSCXQLLXMSFW-WMZOPIPTSA-N 1 0 335.448 2.475 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598590864 468924935 /nfs/dbraw/zinc/92/49/35/468924935.db2.gz RJVGHRCURZIPEB-NWDGAFQWSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595637882 468934376 /nfs/dbraw/zinc/93/43/76/468934376.db2.gz ZERSDDOJXUJPLU-FQUUOJAGSA-N 1 0 333.388 2.015 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598668608 468951607 /nfs/dbraw/zinc/95/16/07/468951607.db2.gz BJUQEXQWXFJUGX-HWWQOWPSSA-N 1 0 335.429 2.415 20 5 EEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716544 468972377 /nfs/dbraw/zinc/97/23/77/468972377.db2.gz MEDIPDJFZHROLV-OLZOCXBDSA-N 1 0 341.433 2.102 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595741258 468982469 /nfs/dbraw/zinc/98/24/69/468982469.db2.gz MCSPVORSAMQJPP-WFASDCNBSA-N 1 0 333.388 2.094 20 5 EEBDRO NC(=O)CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602697179 469018448 /nfs/dbraw/zinc/01/84/48/469018448.db2.gz IVPWVQXUHICBAZ-UHFFFAOYSA-N 1 0 348.222 2.164 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CC[C@@H](O)C3)o2)c1 ZINC000599010136 469087673 /nfs/dbraw/zinc/08/76/73/469087673.db2.gz QBYLUQFILXPLBM-OAHLLOKOSA-N 1 0 331.372 2.011 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593764172 469130403 /nfs/dbraw/zinc/13/04/03/469130403.db2.gz XXTVKJRMNHDPAW-ZBEGNZNMSA-N 1 0 334.376 2.196 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000563056410 469154595 /nfs/dbraw/zinc/15/45/95/469154595.db2.gz IFOHYKGUQJIEQY-KRWDZBQOSA-N 1 0 340.383 2.010 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088159 469158945 /nfs/dbraw/zinc/15/89/45/469158945.db2.gz HKFHCCFOXPPNJM-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599199828 469160815 /nfs/dbraw/zinc/16/08/15/469160815.db2.gz RRWMLUMFXYISGW-JTQLQIEISA-N 1 0 333.310 2.401 20 5 EEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602928844 469170738 /nfs/dbraw/zinc/17/07/38/469170738.db2.gz CIXUKWTXVUNQSF-QFYYESIMSA-N 1 0 340.351 2.374 20 5 EEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603082373 469254113 /nfs/dbraw/zinc/25/41/13/469254113.db2.gz FEDVBHRTXLPDMD-UHFFFAOYSA-N 1 0 332.385 2.404 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000599630368 469316291 /nfs/dbraw/zinc/31/62/91/469316291.db2.gz QYLJIRVIVDVSHE-WBVHZDCISA-N 1 0 345.355 2.194 20 5 EEBDRO CC[C@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000602471245 469331339 /nfs/dbraw/zinc/33/13/39/469331339.db2.gz KZGGUTXDDNVLBZ-QGZVFWFLSA-N 1 0 335.404 2.168 20 5 EEBDRO O=C(N1CC[C@H]2CC[NH2+][C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602493339 469339977 /nfs/dbraw/zinc/33/99/77/469339977.db2.gz SWUXGUHZWOBURL-CZUORRHYSA-N 1 0 329.400 2.227 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602512316 469344816 /nfs/dbraw/zinc/34/48/16/469344816.db2.gz SUMYIIKHWMUABK-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595974 469377626 /nfs/dbraw/zinc/37/76/26/469377626.db2.gz KPUCTDDMOGVADT-WPRPVWTQSA-N 1 0 329.809 2.288 20 5 EEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000603403156 469380351 /nfs/dbraw/zinc/38/03/51/469380351.db2.gz SAUSQHSPRPNIEN-LLVKDONJSA-N 1 0 340.811 2.333 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000619871906 469692922 /nfs/dbraw/zinc/69/29/22/469692922.db2.gz GMPXXBDVVHXUTP-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617754739 469793289 /nfs/dbraw/zinc/79/32/89/469793289.db2.gz VLSOBCAAQYXYFC-AWEZNQCLSA-N 1 0 349.431 2.004 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000610430481 470014564 /nfs/dbraw/zinc/01/45/64/470014564.db2.gz YSJNRRDZPPBMRR-CQSZACIVSA-N 1 0 332.404 2.102 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000602539454 485643138 /nfs/dbraw/zinc/64/31/38/485643138.db2.gz GLENNOBDORVYPS-JQWIXIFHSA-N 1 0 331.294 2.194 20 5 EEBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC[C@@H]1O ZINC000602571280 485643862 /nfs/dbraw/zinc/64/38/62/485643862.db2.gz HITXUBSEBYAJBH-FUHWJXTLSA-N 1 0 348.447 2.489 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430596820 485704813 /nfs/dbraw/zinc/70/48/13/485704813.db2.gz POQZGSNEXZOAQC-MLGOLLRUSA-N 1 0 334.420 2.291 20 5 EEBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180870108 534110114 /nfs/dbraw/zinc/11/01/14/534110114.db2.gz WSLSPZKPBDRCIC-JSGCOSHPSA-N 1 0 330.388 2.198 20 5 EEBDRO C[C@@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583849039 518176593 /nfs/dbraw/zinc/17/65/93/518176593.db2.gz CXFUNVNJJDGSIV-RBSFLKMASA-N 1 0 349.431 2.314 20 5 EEBDRO C[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583849037 518181660 /nfs/dbraw/zinc/18/16/60/518181660.db2.gz CXFUNVNJJDGSIV-KFWWJZLASA-N 1 0 349.431 2.314 20 5 EEBDRO Nc1cc[nH+]cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187888404 534742985 /nfs/dbraw/zinc/74/29/85/534742985.db2.gz AFOGXDORNBYKJG-UHFFFAOYSA-N 1 0 342.355 2.256 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132260415 528111905 /nfs/dbraw/zinc/11/19/05/528111905.db2.gz ISZDMWDWNKRGBG-UHFFFAOYSA-N 1 0 347.412 2.053 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000174175035 528250191 /nfs/dbraw/zinc/25/01/91/528250191.db2.gz VGVKGKSUZXRQGW-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000456903327 535672840 /nfs/dbraw/zinc/67/28/40/535672840.db2.gz QRCDHXIOURZVRQ-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266284137 536389276 /nfs/dbraw/zinc/38/92/76/536389276.db2.gz BDHJVXBGTJYCHC-INIZCTEOSA-N 1 0 333.388 2.059 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265211078 536445627 /nfs/dbraw/zinc/44/56/27/536445627.db2.gz AZXLTRXAFGFVEZ-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726590292 576278873 /nfs/dbraw/zinc/27/88/73/576278873.db2.gz WMZQXDBGVLXHNI-ZDUSSCGKSA-N 1 0 346.387 2.443 20 5 EEBDRO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733869530 577261859 /nfs/dbraw/zinc/26/18/59/577261859.db2.gz WOXKGXDGHSASHR-UHFFFAOYSA-N 1 0 335.385 2.457 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000776274472 577456321 /nfs/dbraw/zinc/45/63/21/577456321.db2.gz IAGDUVAMFBNXMB-SMDDNHRTSA-N 1 0 327.344 2.022 20 5 EEBDRO COc1cccc2c1OC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000760001065 577655678 /nfs/dbraw/zinc/65/56/78/577655678.db2.gz YFHBIYGZZCZLGN-ZBFHGGJFSA-N 1 0 344.367 2.230 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c(OC(F)F)c1 ZINC000760551548 577665565 /nfs/dbraw/zinc/66/55/65/577665565.db2.gz NLLGOTMTDMITPI-UHFFFAOYSA-N 1 0 345.346 2.091 20 5 EEBDRO CC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000760892093 577671500 /nfs/dbraw/zinc/67/15/00/577671500.db2.gz SEUHUMOAEMEVGI-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CCc1n[nH]c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000751070616 577747869 /nfs/dbraw/zinc/74/78/69/577747869.db2.gz YEPGBWCLSRGDHH-UHFFFAOYSA-N 1 0 349.435 2.407 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756950459 577853714 /nfs/dbraw/zinc/85/37/14/577853714.db2.gz DSCDUBCDMAEDKD-NSHDSACASA-N 1 0 340.811 2.389 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000748084304 577954697 /nfs/dbraw/zinc/95/46/97/577954697.db2.gz YMVIAMANMVWNPR-UHFFFAOYSA-N 1 0 348.403 2.266 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748713187 577965991 /nfs/dbraw/zinc/96/59/91/577965991.db2.gz QXJRSSOJCGAIDQ-KGLIPLIRSA-N 1 0 348.359 2.168 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736398519 578200887 /nfs/dbraw/zinc/20/08/87/578200887.db2.gz BAAMTZUCHZWQEN-GFCCVEGCSA-N 1 0 345.407 2.451 20 5 EEBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932972478 676385370 /nfs/dbraw/zinc/38/53/70/676385370.db2.gz SOFMDWHQFMSOOD-ZDUSSCGKSA-N 1 0 337.376 2.043 20 5 EEBDRO Cc1ccncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021923124 676550259 /nfs/dbraw/zinc/55/02/59/676550259.db2.gz RMQOWFGCPAGFEZ-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064061 676628613 /nfs/dbraw/zinc/62/86/13/676628613.db2.gz TTWRULHWHMMYSJ-XMTFNYHQSA-N 1 0 343.427 2.356 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3CCCC3)c2)CC1 ZINC000934048780 677769065 /nfs/dbraw/zinc/76/90/65/677769065.db2.gz WIKFLNSJIPQRFJ-UHFFFAOYSA-N 1 0 347.419 2.411 20 5 EEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179549015 679943830 /nfs/dbraw/zinc/94/38/30/679943830.db2.gz DDOUEPPWEGUNIN-LBPRGKRZSA-N 1 0 332.360 2.238 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC000983006582 681648728 /nfs/dbraw/zinc/64/87/28/681648728.db2.gz KZTUCOAYJMVSGR-SHTZXODSSA-N 1 0 340.383 2.288 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108300841 681654598 /nfs/dbraw/zinc/65/45/98/681654598.db2.gz SAMDDEFPQPMNRL-GFCCVEGCSA-N 1 0 348.359 2.026 20 5 EEBDRO Cc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000894772387 683077680 /nfs/dbraw/zinc/07/76/80/683077680.db2.gz KKKXQSFGGTXRID-LLVKDONJSA-N 1 0 330.392 2.341 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001019932780 683494554 /nfs/dbraw/zinc/49/45/54/683494554.db2.gz JLDXXSHOUMJRTC-SHTZXODSSA-N 1 0 326.356 2.040 20 5 EEBDRO Cc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020086625 683549320 /nfs/dbraw/zinc/54/93/20/683549320.db2.gz PCFONVPCFBCLJN-SHTZXODSSA-N 1 0 343.383 2.476 20 5 EEBDRO CCCSC[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000895947423 684780858 /nfs/dbraw/zinc/78/08/58/684780858.db2.gz DTACORDETVRJLO-KCPJHIHWSA-N 1 0 328.434 2.110 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896154557 684858903 /nfs/dbraw/zinc/85/89/03/684858903.db2.gz DMBUZGWRQLUIGL-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000897846443 691800655 /nfs/dbraw/zinc/80/06/55/691800655.db2.gz JVXWHCRGAPDVON-XHDPSFHLSA-N 1 0 342.399 2.495 20 5 EEBDRO O=C(c1cscn1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990214544 692746576 /nfs/dbraw/zinc/74/65/76/692746576.db2.gz TUVKAFYMIMGVDT-UHFFFAOYSA-N 1 0 346.412 2.446 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898842746 693489592 /nfs/dbraw/zinc/48/95/92/693489592.db2.gz XULJSCXEJXVNCK-HUUCEWRRSA-N 1 0 333.388 2.206 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cc(C[NH3+])cn2)n1 ZINC001168254688 1187412290 /nfs/dbraw/zinc/41/22/90/1187412290.db2.gz MOMQRYAQZYJSHC-UHFFFAOYSA-N 1 0 328.785 2.185 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000842333146 1188640018 /nfs/dbraw/zinc/64/00/18/1188640018.db2.gz BKWJGFDHIMKEHX-YESZJQIVSA-N 1 0 348.399 2.351 20 5 EEBDRO CCc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005379827 1195336774 /nfs/dbraw/zinc/33/67/74/1195336774.db2.gz XKNAIMCACVRTOA-QZTJIDSGSA-N 1 0 345.443 2.337 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]c1 ZINC001034599113 1196428108 /nfs/dbraw/zinc/42/81/08/1196428108.db2.gz HXMAZAISIZEVQY-SHTZXODSSA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034643830 1196464964 /nfs/dbraw/zinc/46/49/64/1196464964.db2.gz UIUUADPLBRSUKH-QBPKDAKJSA-N 1 0 331.416 2.177 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000872090085 1198044075 /nfs/dbraw/zinc/04/40/75/1198044075.db2.gz LIWFIMMDBODCDQ-YPMHNXCESA-N 1 0 325.434 2.034 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H](C)[N@H+]1C ZINC000814928845 1199798705 /nfs/dbraw/zinc/79/87/05/1199798705.db2.gz MKWMMRVMJJKTJL-TXEJJXNPSA-N 1 0 332.404 2.016 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877290679 1199896754 /nfs/dbraw/zinc/89/67/54/1199896754.db2.gz YMJWEYPXHYGKQW-UKRRQHHQSA-N 1 0 330.388 2.136 20 5 EEBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000877811388 1200124303 /nfs/dbraw/zinc/12/43/03/1200124303.db2.gz IRQOYZMIGKQYAJ-HOMQSWHASA-N 1 0 346.330 2.108 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812342707 1200670821 /nfs/dbraw/zinc/67/08/21/1200670821.db2.gz OVYOYTPRCCVTQT-NEPJUHHUSA-N 1 0 339.342 2.097 20 5 EEBDRO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128033644 1201268051 /nfs/dbraw/zinc/26/80/51/1201268051.db2.gz WCBNFLBKWLMKIQ-UHFFFAOYSA-N 1 0 338.364 2.129 20 5 EEBDRO COc1ccc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880210708 1201423341 /nfs/dbraw/zinc/42/33/41/1201423341.db2.gz VMTMIOJQFYXMDI-MRXNPFEDSA-N 1 0 349.431 2.336 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000866707457 1201586336 /nfs/dbraw/zinc/58/63/36/1201586336.db2.gz ADOKWJVXDHPHIL-UKRRQHHQSA-N 1 0 335.379 2.219 20 5 EEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000890067370 1204775983 /nfs/dbraw/zinc/77/59/83/1204775983.db2.gz NBQMTGJWLFOIRP-INIZCTEOSA-N 1 0 332.404 2.363 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095415659 1205712280 /nfs/dbraw/zinc/71/22/80/1205712280.db2.gz MWRNSMHWPJTHHP-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO Cc1cc(N(C)CCCNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001095574885 1205878898 /nfs/dbraw/zinc/87/88/98/1205878898.db2.gz OPWQXACGQZPTRE-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO C[C@H](COCC1CCCCC1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000932422302 1207602548 /nfs/dbraw/zinc/60/25/48/1207602548.db2.gz VSJMKQRWKKUTQN-CQSZACIVSA-N 1 0 337.420 2.332 20 5 EEBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000932495341 1207616618 /nfs/dbraw/zinc/61/66/18/1207616618.db2.gz ZZLDLACEENTGEN-ZDMBXUJBSA-N 1 0 327.768 2.200 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000935114760 1208097320 /nfs/dbraw/zinc/09/73/20/1208097320.db2.gz SUTIAFLPJRCQRV-XUWVNRHRSA-N 1 0 349.456 2.202 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080653 1213614117 /nfs/dbraw/zinc/61/41/17/1213614117.db2.gz WPKHVQAGCLCTIG-BBRMVZONSA-N 1 0 329.404 2.318 20 5 EEBDRO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712976 1215372357 /nfs/dbraw/zinc/37/23/57/1215372357.db2.gz DTOMNTACODHPTO-QZTJIDSGSA-N 1 0 345.443 2.412 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000796531883 1221117808 /nfs/dbraw/zinc/11/78/08/1221117808.db2.gz MOSHWXJRSSIOPN-IAGOWNOFSA-N 1 0 343.383 2.177 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccncc1 ZINC001019937723 1229411806 /nfs/dbraw/zinc/41/18/06/1229411806.db2.gz XRSIMWMCCIQUTH-JOCQHMNTSA-N 1 0 332.385 2.102 20 5 EEBDRO CCc1ocnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020039005 1229452687 /nfs/dbraw/zinc/45/26/87/1229452687.db2.gz HIGVTONLWSUHDT-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900711321 1234690641 /nfs/dbraw/zinc/69/06/41/1234690641.db2.gz PSLWMWVKXRTDJZ-VIFPVBQESA-N 1 0 329.759 2.411 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)(C)C[NH+](C)C ZINC000801911687 1236405987 /nfs/dbraw/zinc/40/59/87/1236405987.db2.gz RRKZNLQNEJYUDR-VIFPVBQESA-N 1 0 326.372 2.022 20 5 EEBDRO C/C=C(/C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048754755 1238527887 /nfs/dbraw/zinc/52/78/87/1238527887.db2.gz UCFFUHFBPUYVPX-BWEGZWNPSA-N 1 0 329.400 2.451 20 5 EEBDRO O=C(NC1(C2CC[NH+](Cc3ccsc3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153253 1240004209 /nfs/dbraw/zinc/00/42/09/1240004209.db2.gz JHJSENFKRJOCIC-HUUCEWRRSA-N 1 0 349.456 2.274 20 5 EEBDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850555354 1277265826 /nfs/dbraw/zinc/26/58/26/1277265826.db2.gz HGTSIYXNLOEMJJ-VXGBXAGGSA-N 1 0 334.420 2.475 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000852911940 1292233151 /nfs/dbraw/zinc/23/31/51/1292233151.db2.gz JNTKAOANWFVKPZ-SKDRFNHKSA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1F ZINC000854987176 1293022034 /nfs/dbraw/zinc/02/20/34/1293022034.db2.gz MPKGLCOTLSINBE-CMPLNLGQSA-N 1 0 339.342 2.348 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764927 1293910822 /nfs/dbraw/zinc/91/08/22/1293910822.db2.gz FAXBSXCFNHMXMP-UHFFFAOYSA-N 1 0 343.330 2.072 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765982 1293911174 /nfs/dbraw/zinc/91/11/74/1293911174.db2.gz MQWJGZDYUIYQOU-UHFFFAOYSA-N 1 0 331.319 2.010 20 5 EEBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886843087 1296776316 /nfs/dbraw/zinc/77/63/16/1296776316.db2.gz OLKVVQZOVCXJHH-INIZCTEOSA-N 1 0 328.372 2.145 20 5 EEBDRO CC(C)([NH3+])CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000405910354 1297472219 /nfs/dbraw/zinc/47/22/19/1297472219.db2.gz UKZQHDORQSVZAO-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO C[NH2+][C@H]1C[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001217952658 1297535696 /nfs/dbraw/zinc/53/56/96/1297535696.db2.gz GGAMJWGXGHUQEI-XWEPSHTISA-N 1 0 348.140 2.329 20 5 EEBDRO COCC[NH+]1CCC(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001224095749 1300419738 /nfs/dbraw/zinc/41/97/38/1300419738.db2.gz FMCDAHJZPZWAOF-UHFFFAOYSA-N 1 0 339.348 2.130 20 5 EEBDRO COC(=O)c1cc(O[C@@H]2CCC[N@H+](C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226440826 1301413811 /nfs/dbraw/zinc/41/38/11/1301413811.db2.gz GGWVBGBJKLEDTH-LLVKDONJSA-N 1 0 338.360 2.253 20 5 EEBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)ccc1I ZINC001228948107 1302540418 /nfs/dbraw/zinc/54/04/18/1302540418.db2.gz VCATZVJJIRDJTD-SECBINFHSA-N 1 0 335.209 2.468 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367086 1302748520 /nfs/dbraw/zinc/74/85/20/1302748520.db2.gz HPBLEJRRECCEGL-NSHDSACASA-N 1 0 332.360 2.495 20 5 EEBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000783676043 1304324406 /nfs/dbraw/zinc/32/44/06/1304324406.db2.gz LSEPNRQHVSYMEE-AWEZNQCLSA-N 1 0 328.752 2.060 20 5 EEBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677555 1304326703 /nfs/dbraw/zinc/32/67/03/1304326703.db2.gz OVZCUTWZNSWJEW-HIFRSBDPSA-N 1 0 344.795 2.158 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cccc(Cl)c2s1 ZINC001233745527 1304575602 /nfs/dbraw/zinc/57/56/02/1304575602.db2.gz AJAUYRDVMGMDAE-SECBINFHSA-N 1 0 329.829 2.312 20 5 EEBDRO O=C(CC[NH2+]C1CCC2(CC1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000799994893 1305531740 /nfs/dbraw/zinc/53/17/40/1305531740.db2.gz RFJBQWBYYYNLBS-UHFFFAOYSA-N 1 0 349.387 2.199 20 5 EEBDRO C[C@@H](C(=O)NCc1ccco1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001116945252 1305933524 /nfs/dbraw/zinc/93/35/24/1305933524.db2.gz RUERDDDACQXKSG-ZDUSSCGKSA-N 1 0 331.372 2.367 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001118193066 1306311941 /nfs/dbraw/zinc/31/19/41/1306311941.db2.gz JUCRXDHGVAGVCS-JTQLQIEISA-N 1 0 334.401 2.446 20 5 EEBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001119243499 1309031680 /nfs/dbraw/zinc/03/16/80/1309031680.db2.gz UTKUJFRTQGTHTN-IAGOWNOFSA-N 1 0 347.463 2.421 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3CCC[NH2+][C@H]3C2)c1F ZINC001246659272 1310373885 /nfs/dbraw/zinc/37/38/85/1310373885.db2.gz RIXVBZGWAVJYHK-BZPMIXESSA-N 1 0 337.395 2.357 20 5 EEBDRO COc1cc(N2CCC(N(C)C[C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001246887709 1310459893 /nfs/dbraw/zinc/45/98/93/1310459893.db2.gz AEDNQJBPUUKGCJ-AWEZNQCLSA-N 1 0 348.447 2.256 20 5 EEBDRO O[C@@H]1C[NH2+]CC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247753577 1310712423 /nfs/dbraw/zinc/71/24/23/1310712423.db2.gz KMOVEDSFGZATDI-UKRRQHHQSA-N 1 0 347.378 2.271 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[C@]23CC[NH2+]C3)n1 ZINC001247936482 1310788935 /nfs/dbraw/zinc/78/89/35/1310788935.db2.gz QNNHBGOIZLXSCM-ZUZCIYMTSA-N 1 0 333.323 2.426 20 5 EEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839200857 1315203967 /nfs/dbraw/zinc/20/39/67/1315203967.db2.gz YMTLHICNZAZDOJ-YPMHNXCESA-N 1 0 327.768 2.344 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841720970 1315603655 /nfs/dbraw/zinc/60/36/55/1315603655.db2.gz BCWZOECSMBTCAE-UHFFFAOYSA-N 1 0 336.392 2.015 20 5 EEBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000841857676 1315624970 /nfs/dbraw/zinc/62/49/70/1315624970.db2.gz JVEWBZMKLBHILP-ZYHUDNBSSA-N 1 0 340.811 2.375 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000842615414 1315732412 /nfs/dbraw/zinc/73/24/12/1315732412.db2.gz MEXSFCQKCZWSDY-STQMWFEESA-N 1 0 347.371 2.351 20 5 EEBDRO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843094821 1315840518 /nfs/dbraw/zinc/84/05/18/1315840518.db2.gz LUTNUDJBANIJGX-QAPCUYQASA-N 1 0 346.383 2.003 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843455538 1315918518 /nfs/dbraw/zinc/91/85/18/1315918518.db2.gz QQAUZRWNPFTQKM-DTWKUNHWSA-N 1 0 329.759 2.139 20 5 EEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000843500850 1315924602 /nfs/dbraw/zinc/92/46/02/1315924602.db2.gz AWGGAELPCRBFFJ-HNNXBMFYSA-N 1 0 332.404 2.027 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155035037 1317427138 /nfs/dbraw/zinc/42/71/38/1317427138.db2.gz ZYCRFDQGDMSAMF-RYUDHWBXSA-N 1 0 336.392 2.214 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCc1noc2c1C[NH2+]CC2 ZINC001155497454 1317624309 /nfs/dbraw/zinc/62/43/09/1317624309.db2.gz IBMQEPAZVNMFMY-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO COc1cccc(N(c2ncc([N+](=O)[O-])cc2N)C2CC[NH2+]CC2)c1 ZINC001155614156 1317674564 /nfs/dbraw/zinc/67/45/64/1317674564.db2.gz OYOCSYNRQMIENM-UHFFFAOYSA-N 1 0 343.387 2.471 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001156051799 1317853692 /nfs/dbraw/zinc/85/36/92/1317853692.db2.gz GUCRRILZXSZUIX-UHFFFAOYSA-N 1 0 344.371 2.450 20 5 EEBDRO CC(=O)N1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC001254481102 1318084578 /nfs/dbraw/zinc/08/45/78/1318084578.db2.gz RUYQWKUDZILPCU-AWEZNQCLSA-N 1 0 346.431 2.116 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3ncccn3)CC1)C2 ZINC001254572355 1318126486 /nfs/dbraw/zinc/12/64/86/1318126486.db2.gz LKOWNQGSERTQCH-MRXNPFEDSA-N 1 0 339.399 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCN(c3cnccn3)C1)C2 ZINC001254586502 1318134650 /nfs/dbraw/zinc/13/46/50/1318134650.db2.gz KMTQJCQIYZGEQE-HOTGVXAUSA-N 1 0 339.399 2.111 20 5 EEBDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597467 1318138625 /nfs/dbraw/zinc/13/86/25/1318138625.db2.gz DYENLKUMCDRLJU-IAGOWNOFSA-N 1 0 331.416 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H](OCC3CC3)[C@H]3COC[C@H]31)C2 ZINC001254599975 1318140227 /nfs/dbraw/zinc/14/02/27/1318140227.db2.gz NLMHTYFATGRZDR-INDMIFKZSA-N 1 0 344.411 2.188 20 5 EEBDRO O=C1N(c2ccccc2)CC12C[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254603974 1318140588 /nfs/dbraw/zinc/14/05/88/1318140588.db2.gz RMFJWTULMOWLJQ-SFHVURJKSA-N 1 0 349.390 2.411 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](O)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256100990 1318648085 /nfs/dbraw/zinc/64/80/85/1318648085.db2.gz XNKFBJSGVFNZLU-BBRMVZONSA-N 1 0 349.431 2.417 20 5 EEBDRO O=[N+]([O-])c1cccc2nc(N3CCO[C@H](C[NH+]4CCCC4)C3)ccc21 ZINC001158309693 1319164024 /nfs/dbraw/zinc/16/40/24/1319164024.db2.gz RDGAXTAWOVFCIP-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N3CCO[C@H](C[NH+]4CCCC4)C3)nc21 ZINC001158309397 1319164622 /nfs/dbraw/zinc/16/46/22/1319164622.db2.gz JNKGKQMVXYSELD-OAHLLOKOSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001158745282 1319415654 /nfs/dbraw/zinc/41/56/54/1319415654.db2.gz FCSRQLPUEWGZOJ-UHFFFAOYSA-N 1 0 332.751 2.187 20 5 EEBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)O1 ZINC001159245719 1319704848 /nfs/dbraw/zinc/70/48/48/1319704848.db2.gz ROKGBOKXEHMBNI-INMHGKMJSA-N 1 0 346.387 2.280 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097835 1320070262 /nfs/dbraw/zinc/07/02/62/1320070262.db2.gz KQTCMCIYBZNNLV-NVXWUHKLSA-N 1 0 347.390 2.129 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](CC2CCOCC2)CC1 ZINC001161211811 1320420985 /nfs/dbraw/zinc/42/09/85/1320420985.db2.gz GDNGTTPEFZGKEP-UHFFFAOYSA-N 1 0 338.383 2.432 20 5 EEBDRO COCCC1(CNc2ncnc3cc([N+](=O)[O-])ccc32)CC[NH2+]CC1 ZINC001161503517 1320519950 /nfs/dbraw/zinc/51/99/50/1320519950.db2.gz LWDYSDLGAUBVFM-UHFFFAOYSA-N 1 0 345.403 2.356 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)ccc12 ZINC001162959290 1320997189 /nfs/dbraw/zinc/99/71/89/1320997189.db2.gz YSYCCTGYZQKIHB-GFCCVEGCSA-N 1 0 345.403 2.432 20 5 EEBDRO CCOCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163251143 1321077219 /nfs/dbraw/zinc/07/72/19/1321077219.db2.gz ORNLAOZFWPKUBB-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001163994263 1321265783 /nfs/dbraw/zinc/26/57/83/1321265783.db2.gz XVOMPYNKQLCVHL-UHFFFAOYSA-N 1 0 344.371 2.450 20 5 EEBDRO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[N@H+](C)CCN1C ZINC001262705882 1322354482 /nfs/dbraw/zinc/35/44/82/1322354482.db2.gz WFJFWWHORVWXNN-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216442 1322444493 /nfs/dbraw/zinc/44/44/93/1322444493.db2.gz MJPXSSKWJXNJGA-VHSXEESVSA-N 1 0 343.305 2.295 20 5 EEBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC001605855765 1351238078 /nfs/dbraw/zinc/23/80/78/1351238078.db2.gz FMGAIGGSFQHXLF-UHFFFAOYSA-N 1 0 338.371 2.416 20 5 EEBDRO Cc1ccc(CNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC001306888144 1331495163 /nfs/dbraw/zinc/49/51/63/1331495163.db2.gz KHABVIBSBVCMKV-HNNXBMFYSA-N 1 0 340.383 2.441 20 5 EEBDRO CCc1nn(C)c(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001307236957 1331521299 /nfs/dbraw/zinc/52/12/99/1331521299.db2.gz SKUOQZZIKFYXOY-AWEZNQCLSA-N 1 0 347.394 2.051 20 5 EEBDRO CC(C)C[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872013 1331552342 /nfs/dbraw/zinc/55/23/42/1331552342.db2.gz KZLLDYNMRFEZNZ-ZDUSSCGKSA-N 1 0 343.449 2.240 20 5 EEBDRO CC(C)C[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872011 1331552577 /nfs/dbraw/zinc/55/25/77/1331552577.db2.gz KZLLDYNMRFEZNZ-CYBMUJFWSA-N 1 0 343.449 2.240 20 5 EEBDRO C[C@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001320089116 1332821431 /nfs/dbraw/zinc/82/14/31/1332821431.db2.gz WISUQQUMECGFPC-INIZCTEOSA-N 1 0 339.367 2.157 20 5 EEBDRO C[NH+]1CCN(Cc2cccc(CNc3cccnc3[N+](=O)[O-])c2)CC1 ZINC001330307573 1334820897 /nfs/dbraw/zinc/82/08/97/1334820897.db2.gz RKYQIPXDIDODOK-UHFFFAOYSA-N 1 0 341.415 2.349 20 5 EEBDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001335674000 1336410887 /nfs/dbraw/zinc/41/08/87/1336410887.db2.gz QJMVTSWWECELAB-KRWDZBQOSA-N 1 0 346.383 2.271 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@H]3C1)OCCO2 ZINC001337033247 1336633990 /nfs/dbraw/zinc/63/39/90/1336633990.db2.gz SBUGOVHYAGCTGI-WFASDCNBSA-N 1 0 334.372 2.367 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340182901 1337133869 /nfs/dbraw/zinc/13/38/69/1337133869.db2.gz NDXKHYFCTHZOEP-JTQLQIEISA-N 1 0 337.323 2.326 20 5 EEBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001345056696 1337422432 /nfs/dbraw/zinc/42/24/32/1337422432.db2.gz VGSJNALZSYOIMJ-GFCCVEGCSA-N 1 0 334.376 2.305 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116991 1343968311 /nfs/dbraw/zinc/96/83/11/1343968311.db2.gz CZIXPPVMYVYRGB-NEPJUHHUSA-N 1 0 331.376 2.204 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001577307701 1344125933 /nfs/dbraw/zinc/12/59/33/1344125933.db2.gz GUWKSSQJTSVCSE-GXSJLCMTSA-N 1 0 329.759 2.392 20 5 EEBDRO [NH3+]C1CCC2(CC1)CN(c1ncc(Cl)cc1[N+](=O)[O-])CCO2 ZINC001580173583 1344485659 /nfs/dbraw/zinc/48/56/59/1344485659.db2.gz XQQJZZSJWVKGCN-UHFFFAOYSA-N 1 0 326.784 2.120 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC2(C[NH2+]C2)C1 ZINC001580770060 1344556667 /nfs/dbraw/zinc/55/66/67/1344556667.db2.gz HMIMXPUIBUDMTI-UHFFFAOYSA-N 1 0 330.266 2.051 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589629458 1349012954 /nfs/dbraw/zinc/01/29/54/1349012954.db2.gz AZFVHMZCDCBLMJ-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO Cc1occc1CN(C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592511114 1349643679 /nfs/dbraw/zinc/64/36/79/1349643679.db2.gz FFEAYPLNDDGQHV-UHFFFAOYSA-N 1 0 328.332 2.308 20 5 EEBDRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605693305 1351215841 /nfs/dbraw/zinc/21/58/41/1351215841.db2.gz MHGZVAISTJWIDG-UHFFFAOYSA-N 1 0 345.407 2.050 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594796 1368044674 /nfs/dbraw/zinc/04/46/74/1368044674.db2.gz YCSFPSSGEDABPZ-UHTWSYAYSA-N 1 0 341.433 2.183 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncc(Cl)c1 ZINC001135291507 1368073993 /nfs/dbraw/zinc/07/39/93/1368073993.db2.gz YGMZTTOVZCTQCO-UHFFFAOYSA-N 1 0 334.763 2.163 20 5 EEBDRO COc1cc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286190220 1369747911 /nfs/dbraw/zinc/74/79/11/1369747911.db2.gz LOGXMSSCNIXAKP-PBWFPOADSA-N 1 0 333.388 2.301 20 5 EEBDRO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001112100356 1371353352 /nfs/dbraw/zinc/35/33/52/1371353352.db2.gz PKRTXSPYYAPSFN-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116039080 1371718389 /nfs/dbraw/zinc/71/83/89/1371718389.db2.gz KQMGLMSIAPFOOR-KBPBESRZSA-N 1 0 341.433 2.054 20 5 EEBDRO C[C@H](COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001123221549 1372109906 /nfs/dbraw/zinc/10/99/06/1372109906.db2.gz SDHOAULVBCRTRN-KBPBESRZSA-N 1 0 336.388 2.210 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836648641 1372737188 /nfs/dbraw/zinc/73/71/88/1372737188.db2.gz DFUBNSWNTDMVLS-NSHDSACASA-N 1 0 341.795 2.007 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839536233 1372909141 /nfs/dbraw/zinc/90/91/41/1372909141.db2.gz LRSALAOXGUTPQY-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccn(C)c1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753086986 1406676867 /nfs/dbraw/zinc/67/68/67/1406676867.db2.gz OVVJCULOQBPWMR-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001576791410 1403604783 /nfs/dbraw/zinc/60/47/83/1403604783.db2.gz QYOHDGKIDLADBC-RKDXNWHRSA-N 1 0 331.294 2.436 20 5 EEBDRO C[NH+]1CCC(ONC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000846647354 790306943 /nfs/dbraw/zinc/30/69/43/790306943.db2.gz JVXWOGQBJUVOQI-UHFFFAOYSA-N 1 0 347.293 2.369 20 5 EEBDRO Nc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001167069027 757124653 /nfs/dbraw/zinc/12/46/53/757124653.db2.gz JJJKNTYNQNSXCE-UHFFFAOYSA-N 1 0 325.372 2.345 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167070893 757129837 /nfs/dbraw/zinc/12/98/37/757129837.db2.gz JDKNZSPATMTZHX-UHFFFAOYSA-N 1 0 326.356 2.001 20 5 EEBDRO CC(C)n1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001167494511 760035839 /nfs/dbraw/zinc/03/58/39/760035839.db2.gz NMGHIAIIPPTIMO-UHFFFAOYSA-N 1 0 345.403 2.282 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000920459338 770713827 /nfs/dbraw/zinc/71/38/27/770713827.db2.gz UQOODAHDGFZNNU-LLVKDONJSA-N 1 0 331.376 2.075 20 5 EEBDRO C[C@@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000921434974 773370253 /nfs/dbraw/zinc/37/02/53/773370253.db2.gz SAWINLYTUKPPDE-OZVIIMIRSA-N 1 0 332.404 2.438 20 5 EEBDRO Cn1cc([C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000846933181 790736715 /nfs/dbraw/zinc/73/67/15/790736715.db2.gz WDCUIAAAMYHGCW-SJORKVTESA-N 1 0 344.415 2.487 20 5 EEBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000817993535 785143119 /nfs/dbraw/zinc/14/31/19/785143119.db2.gz MEUVCGRKCMPSAV-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CC(C)(C)SCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819009852 785362136 /nfs/dbraw/zinc/36/21/36/785362136.db2.gz TYBAKZQMZLEMCH-GFCCVEGCSA-N 1 0 328.434 2.456 20 5 EEBDRO CCOC(=O)C1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818972573 785366435 /nfs/dbraw/zinc/36/64/35/785366435.db2.gz LJOOCASOFQEYFC-LDZOIKDWSA-N 1 0 336.388 2.340 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000819059282 785380739 /nfs/dbraw/zinc/38/07/39/785380739.db2.gz FEEJRPFMQQFQQH-HEHGZKQESA-N 1 0 335.404 2.007 20 5 EEBDRO CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1CC ZINC000819164294 785440602 /nfs/dbraw/zinc/44/06/02/785440602.db2.gz WCBBIPJJWPRIPR-INIZCTEOSA-N 1 0 346.387 2.038 20 5 EEBDRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819309503 785494641 /nfs/dbraw/zinc/49/46/41/785494641.db2.gz ASTNCLOLEISSLS-BXKMTCNYSA-N 1 0 348.424 2.297 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819275651 785504501 /nfs/dbraw/zinc/50/45/01/785504501.db2.gz ZRQRVCXGBVDNIG-FZMZJTMJSA-N 1 0 339.392 2.131 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820342678 785879436 /nfs/dbraw/zinc/87/94/36/785879436.db2.gz MXTGRORRZFMLER-JZXOWHBKSA-N 1 0 329.400 2.253 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C[NH+]1CCCC1 ZINC000909028615 785937087 /nfs/dbraw/zinc/93/70/87/785937087.db2.gz DPGXWPLLNRNGCX-CQSZACIVSA-N 1 0 327.812 2.137 20 5 EEBDRO Cc1c[nH]nc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996384441 786339268 /nfs/dbraw/zinc/33/92/68/786339268.db2.gz ZRIHSTHXDPQWLP-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821338219 786704089 /nfs/dbraw/zinc/70/40/89/786704089.db2.gz YVWYLUGLQFABJN-LBPRGKRZSA-N 1 0 340.811 2.213 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1F ZINC000822794808 787383219 /nfs/dbraw/zinc/38/32/19/787383219.db2.gz UOMFTYBLFMFUEL-NSHDSACASA-N 1 0 327.331 2.251 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC3(C[NH3+])CCCCC3)n2)n1C ZINC000823094385 787541867 /nfs/dbraw/zinc/54/18/67/787541867.db2.gz QNNOMMBYQOAROQ-UHFFFAOYSA-N 1 0 334.380 2.138 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000912577903 788246420 /nfs/dbraw/zinc/24/64/20/788246420.db2.gz NWKWSWGNPHFKBI-UHFFFAOYSA-N 1 0 326.349 2.111 20 5 EEBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000824926457 788360626 /nfs/dbraw/zinc/36/06/26/788360626.db2.gz ODMMSLJJAUJWNV-TXEJJXNPSA-N 1 0 327.812 2.135 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000923438393 789547844 /nfs/dbraw/zinc/54/78/44/789547844.db2.gz ZBMZWKFQKOXORH-SDDRHHMPSA-N 1 0 338.383 2.133 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923445969 789557374 /nfs/dbraw/zinc/55/73/74/789557374.db2.gz FYRJZDHVNBGODF-OUAUKWLOSA-N 1 0 340.811 2.257 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1NC1(CO)Cc3ccccc3C1)C[NH2+]C2 ZINC001171206500 790018737 /nfs/dbraw/zinc/01/87/37/790018737.db2.gz PKFGQJPRSVMDBG-UHFFFAOYSA-N 1 0 325.368 2.140 20 5 EEBDRO Cc1c(C(=O)NCCC[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000061238631 791175968 /nfs/dbraw/zinc/17/59/68/791175968.db2.gz HBKAUNMMSIGLLI-UHFFFAOYSA-N 1 0 336.348 2.027 20 5 EEBDRO CC(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147152431 791714982 /nfs/dbraw/zinc/71/49/82/791714982.db2.gz IJKOQPTXTFFLSW-UHFFFAOYSA-N 1 0 347.415 2.054 20 5 EEBDRO COCc1ccsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147743776 791941799 /nfs/dbraw/zinc/94/17/99/791941799.db2.gz SHXMAHPLVWMDIM-UHFFFAOYSA-N 1 0 349.412 2.322 20 5 EEBDRO C[NH+]1CCC(CC(=O)NCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC001094585192 796468839 /nfs/dbraw/zinc/46/88/39/796468839.db2.gz VCPIYTBDUZZKDD-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903478 797131310 /nfs/dbraw/zinc/13/13/10/797131310.db2.gz GLZKAWZOHAIIBX-HOTGVXAUSA-N 1 0 331.416 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1ncccn1)C1C[NH2+]C1)CC2 ZINC001172921829 797152220 /nfs/dbraw/zinc/15/22/20/797152220.db2.gz UOKRGZNWLYPRFD-OAHLLOKOSA-N 1 0 339.399 2.111 20 5 EEBDRO COc1nccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172911566 797169732 /nfs/dbraw/zinc/16/97/32/797169732.db2.gz JUQQTLDVWJPYBA-CQSZACIVSA-N 1 0 328.372 2.431 20 5 EEBDRO CN1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173005442 797193254 /nfs/dbraw/zinc/19/32/54/797193254.db2.gz GJNCWPLTMOIUSW-GFCCVEGCSA-N 1 0 340.374 2.136 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cncnc3)CC2)c(F)c1 ZINC001173011348 797195958 /nfs/dbraw/zinc/19/59/58/797195958.db2.gz BJOGWMSWHOPJLE-UHFFFAOYSA-N 1 0 349.341 2.422 20 5 EEBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190425 797282254 /nfs/dbraw/zinc/28/22/54/797282254.db2.gz XZDKXMQXXUZCJW-DCAQKATOSA-N 1 0 340.351 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCc3nccn3CC2)c1F ZINC001173195260 797283465 /nfs/dbraw/zinc/28/34/65/797283465.db2.gz DOKYGWARNCUHQQ-GFCCVEGCSA-N 1 0 348.378 2.428 20 5 EEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000916984067 798009647 /nfs/dbraw/zinc/00/96/47/798009647.db2.gz WRAHZVWTMIUYRQ-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO CCc1noc(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175897798 798266969 /nfs/dbraw/zinc/26/69/69/798266969.db2.gz PBURFXNIUXLFKY-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001110191341 798280908 /nfs/dbraw/zinc/28/09/08/798280908.db2.gz PVBQVCHQIFDYGT-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001128290509 798694315 /nfs/dbraw/zinc/69/43/15/798694315.db2.gz VIVNXMDULJVZPM-UHFFFAOYSA-N 1 0 328.372 2.126 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CC2)C1 ZINC001110356746 802340354 /nfs/dbraw/zinc/34/03/54/802340354.db2.gz MVGZTYOODFYPKI-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965145 803552903 /nfs/dbraw/zinc/55/29/03/803552903.db2.gz YJKZPQMLQAHEQF-WWGRRREGSA-N 1 0 327.425 2.421 20 5 EEBDRO O=C1CCCCN1c1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168995250 803561816 /nfs/dbraw/zinc/56/18/16/803561816.db2.gz SBJYNELRJCCXOW-GJZGRUSLSA-N 1 0 332.404 2.134 20 5 EEBDRO COc1ccc(Cn2cncc2C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168996548 803562867 /nfs/dbraw/zinc/56/28/67/803562867.db2.gz VVNIJFCXXANGQZ-JKSUJKDBSA-N 1 0 344.415 2.475 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccn1 ZINC001168997760 803563317 /nfs/dbraw/zinc/56/33/17/803563317.db2.gz FOLLVPMQNTXEPW-KLHDSHLOSA-N 1 0 346.431 2.158 20 5 EEBDRO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998884 803564495 /nfs/dbraw/zinc/56/44/95/803564495.db2.gz QTNIDTBSVCALFD-YHUYYLMFSA-N 1 0 325.453 2.495 20 5 EEBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCO2 ZINC001169001863 803566425 /nfs/dbraw/zinc/56/64/25/803566425.db2.gz IEBJXYMJUKTXNC-NJZAAPMLSA-N 1 0 334.372 2.332 20 5 EEBDRO CC(C)OCc1ncn2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169027410 803574921 /nfs/dbraw/zinc/57/49/21/803574921.db2.gz PIPJDLATMIMXTN-GJZGRUSLSA-N 1 0 336.436 2.459 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cc(Cl)ncn3)CC2)C1 ZINC001169028448 803575947 /nfs/dbraw/zinc/57/59/47/803575947.db2.gz SBYYHJGBRNZQPJ-NEPJUHHUSA-N 1 0 340.811 2.419 20 5 EEBDRO COC(=O)c1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169036409 803580101 /nfs/dbraw/zinc/58/01/01/803580101.db2.gz FTUDDXFVSDUFDZ-WMLDXEAASA-N 1 0 347.415 2.041 20 5 EEBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169040083 803583470 /nfs/dbraw/zinc/58/34/70/803583470.db2.gz XRZIZRRPZATVHZ-RFGFWPKPSA-N 1 0 327.425 2.277 20 5 EEBDRO COc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169054979 803596829 /nfs/dbraw/zinc/59/68/29/803596829.db2.gz OTKAFGNWNGXXDK-DZGCQCFKSA-N 1 0 334.420 2.094 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592103 803864506 /nfs/dbraw/zinc/86/45/06/803864506.db2.gz GSHJCIKDPICCFG-UHFFFAOYSA-N 1 0 342.355 2.319 20 5 EEBDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001169893054 804176752 /nfs/dbraw/zinc/17/67/52/804176752.db2.gz MRGYRVLPTPTKNA-UHFFFAOYSA-N 1 0 346.387 2.445 20 5 EEBDRO COc1cc(C(=O)OCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000787970149 807321275 /nfs/dbraw/zinc/32/12/75/807321275.db2.gz OBRLNIMMPQPHFY-UHFFFAOYSA-N 1 0 338.360 2.255 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788914653 807757840 /nfs/dbraw/zinc/75/78/40/807757840.db2.gz ZRDAFQLRZXFNDG-QWRGUYRKSA-N 1 0 347.462 2.055 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000790580778 808816041 /nfs/dbraw/zinc/81/60/41/808816041.db2.gz USKXQUDLPRCTFS-JTQLQIEISA-N 1 0 341.770 2.283 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170296276 809868952 /nfs/dbraw/zinc/86/89/52/809868952.db2.gz GDFABMVPZDQEAI-IUODEOHRSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170296656 809869883 /nfs/dbraw/zinc/86/98/83/809869883.db2.gz HJZDPQNOPOKNSI-LBPRGKRZSA-N 1 0 335.404 2.135 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170312723 809886628 /nfs/dbraw/zinc/88/66/28/809886628.db2.gz HHLJXXMMWMGJIH-MLGOLLRUSA-N 1 0 331.372 2.253 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001129483567 810863897 /nfs/dbraw/zinc/86/38/97/810863897.db2.gz BKJVMVUGDFGGHW-UHFFFAOYSA-N 1 0 341.339 2.454 20 5 EEBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001519605193 1119092424 /nfs/dbraw/zinc/09/24/24/1119092424.db2.gz FKPLHKJFMKLTLY-GFCCVEGCSA-N 1 0 346.391 2.048 20 5 EEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994181 214263101 /nfs/dbraw/zinc/26/31/01/214263101.db2.gz FHWAIKICZGWFIX-HOCLYGCPSA-N 1 0 347.415 2.227 20 5 EEBDRO C[N@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000193398077 529891541 /nfs/dbraw/zinc/89/15/41/529891541.db2.gz NSCLHOXFXSVYNL-UHFFFAOYSA-N 1 0 336.392 2.080 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418791846 529934885 /nfs/dbraw/zinc/93/48/85/529934885.db2.gz NEMKTGGFQOANRU-BZUAXINKSA-N 1 0 346.431 2.167 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179000098 529992929 /nfs/dbraw/zinc/99/29/29/529992929.db2.gz VLGGBUNDVQTLLL-NSHDSACASA-N 1 0 346.412 2.400 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418788772 530004299 /nfs/dbraw/zinc/00/42/99/530004299.db2.gz KNICAFXOQRSTTH-VHDGCEQUSA-N 1 0 332.404 2.124 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000228552984 283579945 /nfs/dbraw/zinc/57/99/45/283579945.db2.gz ZJSLBLOWJCFPES-FBIMIBRVSA-N 1 0 341.209 2.316 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000415113434 238823874 /nfs/dbraw/zinc/82/38/74/238823874.db2.gz UBKOISBOWRXERZ-DLBZAZTESA-N 1 0 337.395 2.452 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000193303575 240097788 /nfs/dbraw/zinc/09/77/88/240097788.db2.gz FKOLNQGNWDOSFZ-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO COc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542056 242286619 /nfs/dbraw/zinc/28/66/19/242286619.db2.gz NWMPROWZSIYKLN-KBPBESRZSA-N 1 0 331.376 2.468 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447971293 242347116 /nfs/dbraw/zinc/34/71/16/242347116.db2.gz JYVKWGZPOBPOKJ-NVXWUHKLSA-N 1 0 332.356 2.484 20 5 EEBDRO C[C@@H]1C[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813709 242319871 /nfs/dbraw/zinc/31/98/71/242319871.db2.gz XELNHXFREZRNCO-GDBMZVCRSA-N 1 0 348.447 2.322 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1C ZINC000237666978 242747389 /nfs/dbraw/zinc/74/73/89/242747389.db2.gz DUJQAINKVITPDJ-AWEZNQCLSA-N 1 0 349.412 2.190 20 5 EEBDRO CC[NH+]1CCC(Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450227017 242756508 /nfs/dbraw/zinc/75/65/08/242756508.db2.gz NZDDVFOHZCEUSA-UHFFFAOYSA-N 1 0 330.388 2.470 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451602119 243173377 /nfs/dbraw/zinc/17/33/77/243173377.db2.gz INFUAJYNFABUMS-MAUKXSAKSA-N 1 0 347.415 2.228 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246556435 243272021 /nfs/dbraw/zinc/27/20/21/243272021.db2.gz ZNRZDZOTXCSVMF-XQQFMLRXSA-N 1 0 334.420 2.273 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262735391 245153965 /nfs/dbraw/zinc/15/39/65/245153965.db2.gz CKUDBCWLJHEJKF-MNOVXSKESA-N 1 0 341.795 2.226 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459750004 245234165 /nfs/dbraw/zinc/23/41/65/245234165.db2.gz HFRNLVNQIGWREX-HUUCEWRRSA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000265020444 247140961 /nfs/dbraw/zinc/14/09/61/247140961.db2.gz DURQCMDWNMPJAI-ZDUSSCGKSA-N 1 0 331.376 2.107 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266414991 248289449 /nfs/dbraw/zinc/28/94/49/248289449.db2.gz OJHVUAQNPIUHKH-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000266441610 248302928 /nfs/dbraw/zinc/30/29/28/248302928.db2.gz APFGTNABNUYNOH-UHFFFAOYSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266350168 248260124 /nfs/dbraw/zinc/26/01/24/248260124.db2.gz WZSSNPYRYREMNG-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000112645270 220363104 /nfs/dbraw/zinc/36/31/04/220363104.db2.gz YFMZUQWCTUSOLK-DYEKYZERSA-N 1 0 326.418 2.160 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000115273415 220825092 /nfs/dbraw/zinc/82/50/92/220825092.db2.gz QSHPPIPCZWUUKL-OLZOCXBDSA-N 1 0 339.392 2.055 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269110150 255530325 /nfs/dbraw/zinc/53/03/25/255530325.db2.gz IETDOFDKZZXMHH-QMMMGPOBSA-N 1 0 346.156 2.060 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267201288 256037074 /nfs/dbraw/zinc/03/70/74/256037074.db2.gz FXHLVRZBISERBL-VIFPVBQESA-N 1 0 329.198 2.140 20 5 EEBDRO Cc1c(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267203998 256037502 /nfs/dbraw/zinc/03/75/02/256037502.db2.gz RCACMNXGWATACF-OAHLLOKOSA-N 1 0 338.433 2.462 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NCc1nccn1CCc1ccccc1 ZINC000267584261 256070440 /nfs/dbraw/zinc/07/04/40/256070440.db2.gz ZSVVNFLSFIQMGF-UHFFFAOYSA-N 1 0 326.360 2.380 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000268083444 256111431 /nfs/dbraw/zinc/11/14/31/256111431.db2.gz IXVPHDWLECGCNV-HNNXBMFYSA-N 1 0 348.447 2.414 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000268159200 256120704 /nfs/dbraw/zinc/12/07/04/256120704.db2.gz HTJOETVBCLAZPW-XHDPSFHLSA-N 1 0 335.429 2.286 20 5 EEBDRO Cc1nc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000273242737 256279498 /nfs/dbraw/zinc/27/94/98/256279498.db2.gz UAFWGXVAICYXER-INIZCTEOSA-N 1 0 342.399 2.477 20 5 EEBDRO Cc1cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273178946 256273732 /nfs/dbraw/zinc/27/37/32/256273732.db2.gz LLPMOGMUEQHQHH-INIZCTEOSA-N 1 0 342.399 2.477 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000276394741 256428314 /nfs/dbraw/zinc/42/83/14/256428314.db2.gz QAWWETRHLPZLPC-UHFFFAOYSA-N 1 0 337.376 2.127 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000119747712 221391886 /nfs/dbraw/zinc/39/18/86/221391886.db2.gz YAVPNTCPROMUEM-LLVKDONJSA-N 1 0 338.383 2.024 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000054644910 292139829 /nfs/dbraw/zinc/13/98/29/292139829.db2.gz BDODCTRMKSCKBB-UHFFFAOYSA-N 1 0 332.404 2.063 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173320731 152158063 /nfs/dbraw/zinc/15/80/63/152158063.db2.gz WVCSDADFMHVNLI-CQSZACIVSA-N 1 0 334.420 2.022 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000191830529 152276900 /nfs/dbraw/zinc/27/69/00/152276900.db2.gz YOXIPKCQGZQWOF-WFASDCNBSA-N 1 0 349.387 2.054 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccncc1OCC[NH+](C)C ZINC000341074128 152617955 /nfs/dbraw/zinc/61/79/55/152617955.db2.gz CXGIBFLTHLVHPB-UHFFFAOYSA-N 1 0 348.407 2.067 20 5 EEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000261884308 160424190 /nfs/dbraw/zinc/42/41/90/160424190.db2.gz WSQWXQJLECYKSX-NSHDSACASA-N 1 0 331.376 2.395 20 5 EEBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000304008836 160495777 /nfs/dbraw/zinc/49/57/77/160495777.db2.gz BGQAYHYALIHRRP-KRWDZBQOSA-N 1 0 332.404 2.492 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000089636000 159182748 /nfs/dbraw/zinc/18/27/48/159182748.db2.gz GIBJBGNHWQVDKG-VXGBXAGGSA-N 1 0 344.433 2.467 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102487585 159265475 /nfs/dbraw/zinc/26/54/75/159265475.db2.gz QAHOPHDGJWILCY-CYBMUJFWSA-N 1 0 339.440 2.153 20 5 EEBDRO O=[N+]([O-])c1ccccc1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000238053360 160227146 /nfs/dbraw/zinc/22/71/46/160227146.db2.gz FACAWMKSIYXKHL-SFHVURJKSA-N 1 0 341.411 2.104 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000245904659 160256514 /nfs/dbraw/zinc/25/65/14/160256514.db2.gz UQDCIECYEULPST-QWHCGFSZSA-N 1 0 335.408 2.045 20 5 EEBDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000341600366 161000261 /nfs/dbraw/zinc/00/02/61/161000261.db2.gz VGEMULRSBFMYKT-LBPRGKRZSA-N 1 0 326.418 2.460 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341821977 161016331 /nfs/dbraw/zinc/01/63/31/161016331.db2.gz KCECBEJJUUPUPL-UPJWGTAASA-N 1 0 334.420 2.472 20 5 EEBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342239834 161049876 /nfs/dbraw/zinc/04/98/76/161049876.db2.gz UKYHBIOUSNNZPT-OAHLLOKOSA-N 1 0 332.404 2.349 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC000343113806 161104910 /nfs/dbraw/zinc/10/49/10/161104910.db2.gz YYQNFIVNMGCVFA-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000343182585 161111179 /nfs/dbraw/zinc/11/11/79/161111179.db2.gz KASPNSCUXCWBQP-GASCZTMLSA-N 1 0 349.431 2.458 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CC2)cc1SC ZINC000343385495 161130657 /nfs/dbraw/zinc/13/06/57/161130657.db2.gz DAXCOVCSHGRQLJ-UHFFFAOYSA-N 1 0 339.417 2.149 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000344077650 161196764 /nfs/dbraw/zinc/19/67/64/161196764.db2.gz WRBROGFTYDNZIG-HYVNUMGLSA-N 1 0 347.415 2.340 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000344737067 161241194 /nfs/dbraw/zinc/24/11/94/161241194.db2.gz XZKYOTXINJTZGD-HNNXBMFYSA-N 1 0 335.404 2.210 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000344760931 161243799 /nfs/dbraw/zinc/24/37/99/161243799.db2.gz BTHYBIDMVZQYIG-UHFFFAOYSA-N 1 0 349.431 2.472 20 5 EEBDRO CC[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000345165461 161278205 /nfs/dbraw/zinc/27/82/05/161278205.db2.gz AGPDWPZAASUAOP-GFCCVEGCSA-N 1 0 341.433 2.285 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345941786 161344162 /nfs/dbraw/zinc/34/41/62/161344162.db2.gz DNDINWQMYWMQLR-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000346383598 161368190 /nfs/dbraw/zinc/36/81/90/161368190.db2.gz AGDTZSRJRVQARA-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCO1 ZINC000348283448 161491246 /nfs/dbraw/zinc/49/12/46/161491246.db2.gz XMVNNZQWCWRZAZ-ZFWWWQNUSA-N 1 0 349.387 2.440 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000349301253 161545723 /nfs/dbraw/zinc/54/57/23/161545723.db2.gz VQGUGWITCPTEQN-MRXNPFEDSA-N 1 0 349.431 2.476 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352818746 162298126 /nfs/dbraw/zinc/29/81/26/162298126.db2.gz VZCWKPXXEYUWCC-ZWNOBZJWSA-N 1 0 339.417 2.273 20 5 EEBDRO Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360048164 164224033 /nfs/dbraw/zinc/22/40/33/164224033.db2.gz RGKOGEUGWWAJPF-ZDUSSCGKSA-N 1 0 333.310 2.401 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)C1CC1 ZINC000360870722 164393970 /nfs/dbraw/zinc/39/39/70/164393970.db2.gz IGCBJFDYWFTEAV-ULQDDVLXSA-N 1 0 334.416 2.151 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000364478915 165151714 /nfs/dbraw/zinc/15/17/14/165151714.db2.gz OWCHPOWXWMPPFN-KGLIPLIRSA-N 1 0 333.388 2.268 20 5 EEBDRO CN(CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000369728365 166322671 /nfs/dbraw/zinc/32/26/71/166322671.db2.gz YWZBDUXZRUPYPP-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374408873 167036769 /nfs/dbraw/zinc/03/67/69/167036769.db2.gz AOKUKNPSVSFHHU-KBPBESRZSA-N 1 0 333.388 2.200 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000375757165 167186918 /nfs/dbraw/zinc/18/69/18/167186918.db2.gz KQEWUJUKGAPUAJ-YOEHRIQHSA-N 1 0 346.431 2.116 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375965268 167236375 /nfs/dbraw/zinc/23/63/75/167236375.db2.gz QGCIHMRGKUHRBN-INIZCTEOSA-N 1 0 341.367 2.220 20 5 EEBDRO COCCCOC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000122726106 222146709 /nfs/dbraw/zinc/14/67/09/222146709.db2.gz YLEQIZLIOYCBLS-UHFFFAOYSA-N 1 0 338.404 2.491 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272762778 269016554 /nfs/dbraw/zinc/01/65/54/269016554.db2.gz ATTURHOZPKEEBW-GFCCVEGCSA-N 1 0 336.392 2.409 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278349014 269224624 /nfs/dbraw/zinc/22/46/24/269224624.db2.gz CXTILJQOBQFZPO-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278694558 269240530 /nfs/dbraw/zinc/24/05/30/269240530.db2.gz HVOVRBSWQXFNAX-GASCZTMLSA-N 1 0 339.399 2.358 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237200708 274090643 /nfs/dbraw/zinc/09/06/43/274090643.db2.gz JWMLWVOBODSSIC-JTQLQIEISA-N 1 0 334.401 2.304 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000274131195 274186618 /nfs/dbraw/zinc/18/66/18/274186618.db2.gz YKCNWRSLUSFZAN-VHSXEESVSA-N 1 0 327.768 2.201 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H](c2nncn2C)C(C)C)c([N+](=O)[O-])c1 ZINC000285368513 274719439 /nfs/dbraw/zinc/71/94/39/274719439.db2.gz MHEAEFBYMBMZLB-OAHLLOKOSA-N 1 0 349.391 2.098 20 5 EEBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000285505632 274743404 /nfs/dbraw/zinc/74/34/04/274743404.db2.gz JLFYSQCIWXFOHK-MRXNPFEDSA-N 1 0 337.376 2.091 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285899705 274811614 /nfs/dbraw/zinc/81/16/14/274811614.db2.gz CURVIEOZVYZNAU-GDLVEWKHSA-N 1 0 332.404 2.285 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000287029314 274928362 /nfs/dbraw/zinc/92/83/62/274928362.db2.gz LRHYIIUDPATNDE-BLLLJJGKSA-N 1 0 338.429 2.387 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000287051066 274930365 /nfs/dbraw/zinc/93/03/65/274930365.db2.gz JHMQIPUCFKZBAH-ZFWWWQNUSA-N 1 0 332.404 2.092 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449640597 274957772 /nfs/dbraw/zinc/95/77/72/274957772.db2.gz BJEPJOLMBWTXGO-WDEREUQCSA-N 1 0 344.371 2.096 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000288444383 275059026 /nfs/dbraw/zinc/05/90/26/275059026.db2.gz NMFQOAAPZRPLIJ-LBPRGKRZSA-N 1 0 330.388 2.171 20 5 EEBDRO CC(C)(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289187193 275102976 /nfs/dbraw/zinc/10/29/76/275102976.db2.gz ISVQSJKXGXASQB-GOSISDBHSA-N 1 0 331.416 2.475 20 5 EEBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000289433702 275115679 /nfs/dbraw/zinc/11/56/79/275115679.db2.gz LDIGCWXJXWFYDM-OAHLLOKOSA-N 1 0 346.383 2.250 20 5 EEBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289458318 275117578 /nfs/dbraw/zinc/11/75/78/275117578.db2.gz LSLLOCAHEXUUNR-LLVKDONJSA-N 1 0 345.321 2.485 20 5 EEBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289684175 275138927 /nfs/dbraw/zinc/13/89/27/275138927.db2.gz GNAXONNQKVBCMJ-RYUDHWBXSA-N 1 0 330.331 2.312 20 5 EEBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000290882391 275248927 /nfs/dbraw/zinc/24/89/27/275248927.db2.gz CCKAUMDBPITEMI-SMDDNHRTSA-N 1 0 343.387 2.192 20 5 EEBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290956653 275255487 /nfs/dbraw/zinc/25/54/87/275255487.db2.gz NWLAYJJYYWGEDV-NWDGAFQWSA-N 1 0 347.419 2.154 20 5 EEBDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n(C)c1C ZINC000291180499 275279060 /nfs/dbraw/zinc/27/90/60/275279060.db2.gz KWHNNRSUWQTFAL-UHFFFAOYSA-N 1 0 347.371 2.327 20 5 EEBDRO CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447527839 276843509 /nfs/dbraw/zinc/84/35/09/276843509.db2.gz GDRVFQQOQAQWOR-NEPJUHHUSA-N 1 0 349.357 2.359 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000371978987 281009698 /nfs/dbraw/zinc/00/96/98/281009698.db2.gz KDHAYHSEJHKINT-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000058561613 281262095 /nfs/dbraw/zinc/26/20/95/281262095.db2.gz DXXAUQNNSCSPIO-UHFFFAOYSA-N 1 0 341.433 2.058 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237631037 290181264 /nfs/dbraw/zinc/18/12/64/290181264.db2.gz UCPRNTNWTOVUHQ-HOSYDEDBSA-N 1 0 341.795 2.259 20 5 EEBDRO COc1ccc(OCCN2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000293042005 293109876 /nfs/dbraw/zinc/10/98/76/293109876.db2.gz SMDPDGXLFLGPCU-SFHVURJKSA-N 1 0 349.431 2.400 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000293913930 293325754 /nfs/dbraw/zinc/32/57/54/293325754.db2.gz AMMZSLDEGNVWGI-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EEBDRO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297130098 294159718 /nfs/dbraw/zinc/15/97/18/294159718.db2.gz MYVFTWFGJXLSDS-ZDUSSCGKSA-N 1 0 327.388 2.404 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000297177118 294172007 /nfs/dbraw/zinc/17/20/07/294172007.db2.gz KVVZHWPXZMQQGN-UHFFFAOYSA-N 1 0 342.193 2.168 20 5 EEBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000297580691 294285990 /nfs/dbraw/zinc/28/59/90/294285990.db2.gz STYCWMNQVHJYKV-UHFFFAOYSA-N 1 0 333.367 2.401 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CC4CCCCC4)CC3)nn21 ZINC000302000038 294918781 /nfs/dbraw/zinc/91/87/81/294918781.db2.gz PYPDUZHUDWOPFE-UHFFFAOYSA-N 1 0 344.419 2.340 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000370203831 295253129 /nfs/dbraw/zinc/25/31/29/295253129.db2.gz KQTFNVLZAVBDMY-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000427928626 301198364 /nfs/dbraw/zinc/19/83/64/301198364.db2.gz DKGFZSMMEBTVMZ-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160969392 311360613 /nfs/dbraw/zinc/36/06/13/311360613.db2.gz LCOUMBLYSXFQRQ-QWHCGFSZSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301160 313477202 /nfs/dbraw/zinc/47/72/02/313477202.db2.gz ACNKWJMVETUMAH-WBMJQRKESA-N 1 0 338.429 2.387 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000417715606 313575261 /nfs/dbraw/zinc/57/52/61/313575261.db2.gz KHTWXLBWEAQVGY-OAHLLOKOSA-N 1 0 334.420 2.216 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418519087 313835637 /nfs/dbraw/zinc/83/56/37/313835637.db2.gz NSWGGOHBAQKBRJ-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418598496 313856871 /nfs/dbraw/zinc/85/68/71/313856871.db2.gz GRGBASNSMGWAEJ-UKRRQHHQSA-N 1 0 334.420 2.482 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421787549 314165117 /nfs/dbraw/zinc/16/51/17/314165117.db2.gz PVLGCOPPKLMAAE-AWEZNQCLSA-N 1 0 337.420 2.298 20 5 EEBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425397266 314385838 /nfs/dbraw/zinc/38/58/38/314385838.db2.gz AHDMOVIVGRGIGK-SNVBAGLBSA-N 1 0 328.210 2.493 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]Cc2ccccc21 ZINC000430952671 314598069 /nfs/dbraw/zinc/59/80/69/314598069.db2.gz ZWXLAHFAZPCCDO-UHFFFAOYSA-N 1 0 340.383 2.452 20 5 EEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432855641 314728674 /nfs/dbraw/zinc/72/86/74/314728674.db2.gz WTRUMQSIKXXGFO-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441650737 315190562 /nfs/dbraw/zinc/19/05/62/315190562.db2.gz VJDMMANBPOXFEY-KGLIPLIRSA-N 1 0 333.388 2.200 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643577 315314158 /nfs/dbraw/zinc/31/41/58/315314158.db2.gz KNVQWBNZNIARGA-SNVBAGLBSA-N 1 0 333.392 2.254 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445200171 315351709 /nfs/dbraw/zinc/35/17/09/315351709.db2.gz ZUNMPJOAHJNSCX-ZDUSSCGKSA-N 1 0 336.392 2.080 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720666 317023987 /nfs/dbraw/zinc/02/39/87/317023987.db2.gz KAYLYGHKCPWQAV-AWEZNQCLSA-N 1 0 334.420 2.245 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000525804117 317078422 /nfs/dbraw/zinc/07/84/22/317078422.db2.gz JBVDDFIJWLUKFT-ZDUSSCGKSA-N 1 0 330.388 2.008 20 5 EEBDRO CCCC(CCC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073229 318051576 /nfs/dbraw/zinc/05/15/76/318051576.db2.gz JLMYCORRXNHDDZ-UHFFFAOYSA-N 1 0 343.449 2.432 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](CC(C)C)CC1 ZINC000557476983 318681551 /nfs/dbraw/zinc/68/15/51/318681551.db2.gz JEXKRFLWOLUETC-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO [NH3+]Cc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000563088793 318970356 /nfs/dbraw/zinc/97/03/56/318970356.db2.gz JBLLBRDCJDOFPB-UHFFFAOYSA-N 1 0 340.383 2.321 20 5 EEBDRO CC(C)[C@@]1(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564860859 319119252 /nfs/dbraw/zinc/11/92/52/319119252.db2.gz WEIORJNVQAUDDB-LSDHHAIUSA-N 1 0 326.418 2.393 20 5 EEBDRO Cc1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(C)cc1[N+](=O)[O-] ZINC000565963242 319231338 /nfs/dbraw/zinc/23/13/38/319231338.db2.gz TWHQERRRXGCNMS-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000566131372 319249299 /nfs/dbraw/zinc/24/92/99/319249299.db2.gz KTIUFZVVXHVMOE-RYUDHWBXSA-N 1 0 337.401 2.184 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567926512 319435623 /nfs/dbraw/zinc/43/56/23/319435623.db2.gz JVZHQMHYXUVORH-HTQZYQBOSA-N 1 0 347.318 2.060 20 5 EEBDRO COc1ccc(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000570082191 319634872 /nfs/dbraw/zinc/63/48/72/319634872.db2.gz UDSNFYKRONJBHD-UHFFFAOYSA-N 1 0 347.415 2.138 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1OC ZINC000573608206 319950409 /nfs/dbraw/zinc/95/04/09/319950409.db2.gz FZXOLFWCEAAEQD-YRGRVCCFSA-N 1 0 326.418 2.469 20 5 EEBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576031070 320135130 /nfs/dbraw/zinc/13/51/30/320135130.db2.gz ACRDWCRASVBJKX-ZDUSSCGKSA-N 1 0 343.387 2.324 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000578005743 320288578 /nfs/dbraw/zinc/28/85/78/320288578.db2.gz OJCCTUGDZBORAL-ZDUSSCGKSA-N 1 0 331.294 2.471 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCc2ccc(O)cc2)c1 ZINC000580709687 324116394 /nfs/dbraw/zinc/11/63/94/324116394.db2.gz LIRXOMNLWRCHHW-KRWDZBQOSA-N 1 0 346.383 2.263 20 5 EEBDRO [NH3+]CCc1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 ZINC000581194203 324204579 /nfs/dbraw/zinc/20/45/79/324204579.db2.gz WOMNMIRTXHVMJD-UHFFFAOYSA-N 1 0 346.412 2.357 20 5 EEBDRO Cc1cccc(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000581939721 324345992 /nfs/dbraw/zinc/34/59/92/324345992.db2.gz YLXGLDLRMVQTAY-INIZCTEOSA-N 1 0 345.399 2.260 20 5 EEBDRO O=C(CC[N@@H+]1CCOC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000582120276 324384620 /nfs/dbraw/zinc/38/46/20/324384620.db2.gz MWYGNJCPMQZHKS-MRXNPFEDSA-N 1 0 333.388 2.424 20 5 EEBDRO CN1CCCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000609549116 450048764 /nfs/dbraw/zinc/04/87/64/450048764.db2.gz JHICBQLKLZWFOP-CQSZACIVSA-N 1 0 329.360 2.408 20 5 EEBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000235982300 464212895 /nfs/dbraw/zinc/21/28/95/464212895.db2.gz BBLPUDWHRCJJKM-AOOOYVTPSA-N 1 0 326.194 2.321 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[NH+](C)C)CC1 ZINC000350950499 465045912 /nfs/dbraw/zinc/04/59/12/465045912.db2.gz NFSBDDNDOMANQB-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635780 465139299 /nfs/dbraw/zinc/13/92/99/465139299.db2.gz YDDDWPHDCBBJJN-DOMZBBRYSA-N 1 0 347.371 2.089 20 5 EEBDRO NC(=O)c1cccc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000342352961 465311858 /nfs/dbraw/zinc/31/18/58/465311858.db2.gz VKXAJHVPUMRZGI-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000298281049 465353748 /nfs/dbraw/zinc/35/37/48/465353748.db2.gz XCMXWOBFXRPTOG-ZBFHGGJFSA-N 1 0 349.387 2.185 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000061635542 462593961 /nfs/dbraw/zinc/59/39/61/462593961.db2.gz GGUKFJJRBPEOLE-UHFFFAOYSA-N 1 0 349.416 2.327 20 5 EEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000153926182 462708971 /nfs/dbraw/zinc/70/89/71/462708971.db2.gz PAVBXENBRGJZPJ-OAHLLOKOSA-N 1 0 335.404 2.162 20 5 EEBDRO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118829496 462855441 /nfs/dbraw/zinc/85/54/41/462855441.db2.gz CYWUZKXLFIDHII-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO CCc1nn(C)c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000091736630 462900622 /nfs/dbraw/zinc/90/06/22/462900622.db2.gz QTFZHQVHGJNJIM-CHWSQXEVSA-N 1 0 339.440 2.192 20 5 EEBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)C(C)(C)C ZINC000134368251 463029447 /nfs/dbraw/zinc/02/94/47/463029447.db2.gz ODJDSBUSSHVWEH-ZDUSSCGKSA-N 1 0 334.376 2.484 20 5 EEBDRO COC(=O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000093460646 463038122 /nfs/dbraw/zinc/03/81/22/463038122.db2.gz ZKJQQGFWRYQKRC-OAHLLOKOSA-N 1 0 336.388 2.447 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000157641987 463153192 /nfs/dbraw/zinc/15/31/92/463153192.db2.gz UHJGVVOCXCTFQH-OAHLLOKOSA-N 1 0 334.420 2.372 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026218835 463154507 /nfs/dbraw/zinc/15/45/07/463154507.db2.gz OGNOTUAUNGUKLS-CYBMUJFWSA-N 1 0 349.387 2.199 20 5 EEBDRO CC[NH+]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000053778417 463188767 /nfs/dbraw/zinc/18/87/67/463188767.db2.gz UKRNIHIZBUWYSD-UHFFFAOYSA-N 1 0 345.346 2.342 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000053990141 463199949 /nfs/dbraw/zinc/19/99/49/463199949.db2.gz WUCRUNSMHYUKQM-UHFFFAOYSA-N 1 0 340.383 2.384 20 5 EEBDRO CCc1nnc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000158744909 463250572 /nfs/dbraw/zinc/25/05/72/463250572.db2.gz RGUORIPPFBQPSM-UHFFFAOYSA-N 1 0 331.376 2.319 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000079996355 463269694 /nfs/dbraw/zinc/26/96/94/463269694.db2.gz LPAZUPDIFJSGLK-UHFFFAOYSA-N 1 0 337.424 2.114 20 5 EEBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000055376324 463313182 /nfs/dbraw/zinc/31/31/82/463313182.db2.gz BAZXFFDBIFDKAU-CHWSQXEVSA-N 1 0 336.392 2.216 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000031576798 463345452 /nfs/dbraw/zinc/34/54/52/463345452.db2.gz CTAWBAYQYKZYEJ-UHFFFAOYSA-N 1 0 327.388 2.224 20 5 EEBDRO CC(C)[NH+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000032244787 463366929 /nfs/dbraw/zinc/36/69/29/463366929.db2.gz UNDPIZBPWZQTOV-UHFFFAOYSA-N 1 0 337.376 2.172 20 5 EEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000151144025 463483437 /nfs/dbraw/zinc/48/34/37/463483437.db2.gz CRVFKHQZAXOAAU-OAHLLOKOSA-N 1 0 346.431 2.361 20 5 EEBDRO CCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000125337840 463532860 /nfs/dbraw/zinc/53/28/60/463532860.db2.gz MQNYJBRNADDEKE-LBPRGKRZSA-N 1 0 329.422 2.041 20 5 EEBDRO O=C1[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072899019 463561577 /nfs/dbraw/zinc/56/15/77/463561577.db2.gz MAXDCGQOLJUHLK-INIZCTEOSA-N 1 0 345.399 2.203 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165824514 463648280 /nfs/dbraw/zinc/64/82/80/463648280.db2.gz DVOWMNPRFQZZOD-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111832213 463683631 /nfs/dbraw/zinc/68/36/31/463683631.db2.gz OWHMJVYYENQXLV-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO NC(=O)c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000170785064 463705090 /nfs/dbraw/zinc/70/50/90/463705090.db2.gz IPLUITFNGDONEM-INIZCTEOSA-N 1 0 346.431 2.144 20 5 EEBDRO COCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171129841 463793842 /nfs/dbraw/zinc/79/38/42/463793842.db2.gz DFCWWYRLVJEAMH-UHFFFAOYSA-N 1 0 337.401 2.118 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000276949942 463816767 /nfs/dbraw/zinc/81/67/67/463816767.db2.gz BPHOFJWGASVHGP-INIZCTEOSA-N 1 0 343.387 2.088 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000276949947 463817625 /nfs/dbraw/zinc/81/76/25/463817625.db2.gz BPHOFJWGASVHGP-MRXNPFEDSA-N 1 0 343.387 2.088 20 5 EEBDRO CO[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000276955596 463819982 /nfs/dbraw/zinc/81/99/82/463819982.db2.gz WJQABQQZKNIXAM-IYBDPMFKSA-N 1 0 347.371 2.138 20 5 EEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277051631 463858237 /nfs/dbraw/zinc/85/82/37/463858237.db2.gz LUFPUWGXIWNCPS-DTWKUNHWSA-N 1 0 348.325 2.125 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194437390 463863414 /nfs/dbraw/zinc/86/34/14/463863414.db2.gz ZHXWFLZHUFANON-SNVBAGLBSA-N 1 0 347.824 2.011 20 5 EEBDRO CCOc1cc(-c2nc(C[C@H](C)[NH2+]C)no2)c([N+](=O)[O-])cc1OC ZINC000261818263 463868856 /nfs/dbraw/zinc/86/88/56/463868856.db2.gz QGHPFAVTGVRZBC-VIFPVBQESA-N 1 0 336.348 2.203 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000269262538 463932843 /nfs/dbraw/zinc/93/28/43/463932843.db2.gz JWMUTEUWRNASNK-OAHLLOKOSA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000194900850 463953148 /nfs/dbraw/zinc/95/31/48/463953148.db2.gz MFOPWDUKBQUTJO-FRRDWIJNSA-N 1 0 334.420 2.154 20 5 EEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195237830 464022557 /nfs/dbraw/zinc/02/25/57/464022557.db2.gz ODZPCKUTYDCVJV-TXEJJXNPSA-N 1 0 344.396 2.010 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000178974536 464029234 /nfs/dbraw/zinc/02/92/34/464029234.db2.gz WYXSGHFSYFZHKR-JTQLQIEISA-N 1 0 339.417 2.007 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000178985970 464030775 /nfs/dbraw/zinc/03/07/75/464030775.db2.gz GVUMEAVVCBFWHS-HNNXBMFYSA-N 1 0 349.434 2.223 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317016 464039776 /nfs/dbraw/zinc/03/97/76/464039776.db2.gz GLVVZGMZCFPOIU-TZMCWYRMSA-N 1 0 335.429 2.382 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590971153 468387687 /nfs/dbraw/zinc/38/76/87/468387687.db2.gz RUIOKFSXEAHGSR-JKSUJKDBSA-N 1 0 334.372 2.413 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172418006 464075066 /nfs/dbraw/zinc/07/50/66/464075066.db2.gz FVHAWQHINGOIEC-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CN(C)C1(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000186961900 464084987 /nfs/dbraw/zinc/08/49/87/464084987.db2.gz YWQXHSVUYJOTGQ-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000279270219 464086198 /nfs/dbraw/zinc/08/61/98/464086198.db2.gz JCBIIQIJRYWLGS-QWHCGFSZSA-N 1 0 333.388 2.350 20 5 EEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000263677564 464149188 /nfs/dbraw/zinc/14/91/88/464149188.db2.gz HNUVVQLTTQPZFW-CQSZACIVSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000188855980 464383900 /nfs/dbraw/zinc/38/39/00/464383900.db2.gz LMQXMHAWHLEFGP-CQSZACIVSA-N 1 0 349.435 2.051 20 5 EEBDRO [NH3+]CCCOC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000237825127 464385021 /nfs/dbraw/zinc/38/50/21/464385021.db2.gz LSEDIXBAPHYWBK-UHFFFAOYSA-N 1 0 341.795 2.218 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293348316 464401885 /nfs/dbraw/zinc/40/18/85/464401885.db2.gz ZBIXSLQTNXDIHD-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO O=[N+]([O-])c1cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000237955283 464410268 /nfs/dbraw/zinc/41/02/68/464410268.db2.gz UQDCBUMNBDHDRG-MRXNPFEDSA-N 1 0 347.440 2.165 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237990747 464415586 /nfs/dbraw/zinc/41/55/86/464415586.db2.gz UKHYSSDIQDPJAH-KGLIPLIRSA-N 1 0 343.387 2.028 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000174962043 464473865 /nfs/dbraw/zinc/47/38/65/464473865.db2.gz SFMLLASVJONIQI-LSDHHAIUSA-N 1 0 346.431 2.482 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133533 464490530 /nfs/dbraw/zinc/49/05/30/464490530.db2.gz XKTYFPPSRVWKAA-KBPBESRZSA-N 1 0 339.342 2.430 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000281582423 464511946 /nfs/dbraw/zinc/51/19/46/464511946.db2.gz MYXBVRMPENRDCG-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285302361 464516494 /nfs/dbraw/zinc/51/64/94/464516494.db2.gz WAOWUZOIEVNCKA-LBPRGKRZSA-N 1 0 337.405 2.192 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272233825 464529012 /nfs/dbraw/zinc/52/90/12/464529012.db2.gz VCCFDQFFSQRFFM-DYVFJYSZSA-N 1 0 346.431 2.263 20 5 EEBDRO COCCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272251263 464536535 /nfs/dbraw/zinc/53/65/35/464536535.db2.gz CAINHKQUZMFYJU-UHFFFAOYSA-N 1 0 334.319 2.373 20 5 EEBDRO C[C@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](C)O ZINC000294616069 464554475 /nfs/dbraw/zinc/55/44/75/464554475.db2.gz OKELFBXGXPLLOY-ZJUUUORDSA-N 1 0 336.310 2.177 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000272487236 464629006 /nfs/dbraw/zinc/62/90/06/464629006.db2.gz MRRDJBIJEWPWTB-NHYWBVRUSA-N 1 0 328.372 2.242 20 5 EEBDRO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182395696 464645143 /nfs/dbraw/zinc/64/51/43/464645143.db2.gz HYQUVUOBRLDLEV-QZTJIDSGSA-N 1 0 346.383 2.350 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCC(O)CC3)o2)c1 ZINC000294919928 464649008 /nfs/dbraw/zinc/64/90/08/464649008.db2.gz SYIWVYDOKMYWCE-UHFFFAOYSA-N 1 0 345.399 2.401 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247337662 464670086 /nfs/dbraw/zinc/67/00/86/464670086.db2.gz JBIAAHJKHQWBST-XHDPSFHLSA-N 1 0 345.403 2.273 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295196440 464741494 /nfs/dbraw/zinc/74/14/94/464741494.db2.gz BGOXPWDYMRVHOO-IUODEOHRSA-N 1 0 335.404 2.405 20 5 EEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccsc1 ZINC000249594319 464897378 /nfs/dbraw/zinc/89/73/78/464897378.db2.gz WJFSGXOLFRKNCD-IUODEOHRSA-N 1 0 338.433 2.167 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193036760 465023747 /nfs/dbraw/zinc/02/37/47/465023747.db2.gz UFCKOUKQQBPYFQ-IUODEOHRSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351830436 465387886 /nfs/dbraw/zinc/38/78/86/465387886.db2.gz RWKZNSHZKPXGDL-GARJFASQSA-N 1 0 341.795 2.211 20 5 EEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356754556 465521778 /nfs/dbraw/zinc/52/17/78/465521778.db2.gz YPXCHSNCHJRFGH-CYBMUJFWSA-N 1 0 345.403 2.239 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000299228827 465656464 /nfs/dbraw/zinc/65/64/64/465656464.db2.gz JDYSDOSUHQHCPX-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000362362368 465680941 /nfs/dbraw/zinc/68/09/41/465680941.db2.gz MGBDZVHQTYRRIL-RHSMWYFYSA-N 1 0 336.388 2.421 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000356991609 465683316 /nfs/dbraw/zinc/68/33/16/465683316.db2.gz UHTIOQROJOULMZ-MRXNPFEDSA-N 1 0 335.404 2.351 20 5 EEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000371335467 465724041 /nfs/dbraw/zinc/72/40/41/465724041.db2.gz LFBSKENRBRUMOE-WBVHZDCISA-N 1 0 330.388 2.416 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357065942 465739731 /nfs/dbraw/zinc/73/97/31/465739731.db2.gz ATXDBWSRWFFSJF-DZGCQCFKSA-N 1 0 346.431 2.243 20 5 EEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000548679878 468451252 /nfs/dbraw/zinc/45/12/52/468451252.db2.gz JNFHNVJACSSCGZ-PXAZEXFGSA-N 1 0 347.415 2.007 20 5 EEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548712984 468458332 /nfs/dbraw/zinc/45/83/32/468458332.db2.gz IAUHMWDTWIBNLU-LBPRGKRZSA-N 1 0 349.435 2.202 20 5 EEBDRO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000353637452 466028908 /nfs/dbraw/zinc/02/89/08/466028908.db2.gz QJVUJKMWDFXLJN-MRXNPFEDSA-N 1 0 343.431 2.425 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000331371061 466052814 /nfs/dbraw/zinc/05/28/14/466052814.db2.gz DNLLKHPJYNMCMS-NXEZZACHSA-N 1 0 339.342 2.157 20 5 EEBDRO O=C(c1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000591434307 468468778 /nfs/dbraw/zinc/46/87/78/468468778.db2.gz ORESCZXXCVKRHV-GOSISDBHSA-N 1 0 344.415 2.021 20 5 EEBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H](C)OC ZINC000361563621 466101371 /nfs/dbraw/zinc/10/13/71/466101371.db2.gz JIHRKRRXDIJATK-GFCCVEGCSA-N 1 0 337.376 2.250 20 5 EEBDRO COC(=O)c1cnc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761151 466179009 /nfs/dbraw/zinc/17/90/09/466179009.db2.gz KFZHVJPRMCWGLE-RYUDHWBXSA-N 1 0 336.392 2.309 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC000349720925 466204297 /nfs/dbraw/zinc/20/42/97/466204297.db2.gz LDHRBSBMSGLLHM-CHWSQXEVSA-N 1 0 344.419 2.309 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367270347 466229882 /nfs/dbraw/zinc/22/98/82/466229882.db2.gz KWTYTMROKICPHO-HNNXBMFYSA-N 1 0 333.388 2.463 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331749016 466231551 /nfs/dbraw/zinc/23/15/51/466231551.db2.gz ZSVKDYRNHZRASU-KBXCAEBGSA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1C ZINC000349784313 466237995 /nfs/dbraw/zinc/23/79/95/466237995.db2.gz PTGBYBMWSQTXER-LBPRGKRZSA-N 1 0 343.449 2.219 20 5 EEBDRO Cc1c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000372330661 466307852 /nfs/dbraw/zinc/30/78/52/466307852.db2.gz HQIAYRIFCXAVKN-CRAIPNDOSA-N 1 0 346.475 2.361 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000338697406 466317408 /nfs/dbraw/zinc/31/74/08/466317408.db2.gz XLGGIYBOPDRKBW-HOCLYGCPSA-N 1 0 348.447 2.066 20 5 EEBDRO CCOC[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000357922374 466321703 /nfs/dbraw/zinc/32/17/03/466321703.db2.gz BOWHTZKWXBCFNQ-ZDUSSCGKSA-N 1 0 349.387 2.251 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000332051125 466362632 /nfs/dbraw/zinc/36/26/32/466362632.db2.gz NAGXOGBRMZNQCX-JSGCOSHPSA-N 1 0 330.388 2.148 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000358040174 466404696 /nfs/dbraw/zinc/40/46/96/466404696.db2.gz DGPJXTDOZFHNJO-UHFFFAOYSA-N 1 0 328.372 2.458 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354373969 466518360 /nfs/dbraw/zinc/51/83/60/466518360.db2.gz WOMNRDORAOUHNR-LBPRGKRZSA-N 1 0 338.383 2.310 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000354444842 466573414 /nfs/dbraw/zinc/57/34/14/466573414.db2.gz MATKXJACTOFAGR-LBPRGKRZSA-N 1 0 345.403 2.465 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362148280 466588397 /nfs/dbraw/zinc/58/83/97/466588397.db2.gz ISARMKMECOADIK-IUODEOHRSA-N 1 0 335.404 2.331 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347409951 466619111 /nfs/dbraw/zinc/61/91/11/466619111.db2.gz DGQUJFKBNROJQJ-UHFFFAOYSA-N 1 0 345.403 2.085 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000368458887 466642196 /nfs/dbraw/zinc/64/21/96/466642196.db2.gz RVGIUGRGOQDMPK-UHFFFAOYSA-N 1 0 325.368 2.050 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000324680363 466649384 /nfs/dbraw/zinc/64/93/84/466649384.db2.gz OUIADMYVCUHDAS-LLVKDONJSA-N 1 0 331.376 2.386 20 5 EEBDRO COCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000324825637 466649937 /nfs/dbraw/zinc/64/99/37/466649937.db2.gz AUWYXQJWSACFHE-CYBMUJFWSA-N 1 0 335.404 2.191 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000324892399 466650705 /nfs/dbraw/zinc/65/07/05/466650705.db2.gz GMNSDLDTUBTTQR-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CCOc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000374508166 466657512 /nfs/dbraw/zinc/65/75/12/466657512.db2.gz QTVLKXMRZWXPPX-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO CCc1ccc([C@H](NC[C@H]2C[NH2+]CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580227 466778348 /nfs/dbraw/zinc/77/83/48/466778348.db2.gz XKVPUZHCZAHKFQ-SJLPKXTDSA-N 1 0 345.399 2.418 20 5 EEBDRO O=C(CC[NH2+]C1(C2CC2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375704063 466866390 /nfs/dbraw/zinc/86/63/90/466866390.db2.gz ZYSWHNKLWYEYJT-UHFFFAOYSA-N 1 0 333.388 2.472 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411716543 466886467 /nfs/dbraw/zinc/88/64/67/466886467.db2.gz GLYVBKCOSWGDEO-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411769089 466897779 /nfs/dbraw/zinc/89/77/79/466897779.db2.gz HPQOPWZQWBYOSQ-MRXNPFEDSA-N 1 0 335.404 2.310 20 5 EEBDRO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365818719 466949894 /nfs/dbraw/zinc/94/98/94/466949894.db2.gz GOSCKXHEWBMUNO-STQMWFEESA-N 1 0 337.424 2.122 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424023169 466955678 /nfs/dbraw/zinc/95/56/78/466955678.db2.gz ANLVRCNWYTXAMH-WCQYABFASA-N 1 0 335.360 2.362 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000377643876 467104684 /nfs/dbraw/zinc/10/46/84/467104684.db2.gz QWZMIUCFCYZJBI-AWEZNQCLSA-N 1 0 340.383 2.062 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418708502 467149013 /nfs/dbraw/zinc/14/90/13/467149013.db2.gz CKENBMCPKANPIN-CABCVRRESA-N 1 0 334.420 2.296 20 5 EEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCN(C)CC1 ZINC000413111807 467171613 /nfs/dbraw/zinc/17/16/13/467171613.db2.gz JDXKDIIPBKIIQW-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428484388 467238679 /nfs/dbraw/zinc/23/86/79/467238679.db2.gz MCHXZIFINSIJSO-GXTWGEPZSA-N 1 0 332.404 2.004 20 5 EEBDRO CN(CC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000378338203 467269258 /nfs/dbraw/zinc/26/92/58/467269258.db2.gz YAEFVRNFJNBHIS-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420255074 467331127 /nfs/dbraw/zinc/33/11/27/467331127.db2.gz HBGOYEKVPSGMAJ-NWDGAFQWSA-N 1 0 328.372 2.197 20 5 EEBDRO C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420335700 467363336 /nfs/dbraw/zinc/36/33/36/467363336.db2.gz LXBORYVIOLJGDK-JQWIXIFHSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345416 467371482 /nfs/dbraw/zinc/37/14/82/467371482.db2.gz WEKISPLXYIQDSD-GUYCJALGSA-N 1 0 346.431 2.386 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420368440 467380982 /nfs/dbraw/zinc/38/09/82/467380982.db2.gz AQTLLYRSYKFCNN-CZUORRHYSA-N 1 0 344.419 2.352 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430640236 467454202 /nfs/dbraw/zinc/45/42/02/467454202.db2.gz GUCDYRCYQOKNPA-FZMZJTMJSA-N 1 0 331.376 2.347 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000453047018 467457820 /nfs/dbraw/zinc/45/78/20/467457820.db2.gz YXKCIWDRQHJJDH-RKVPGOIHSA-N 1 0 332.400 2.455 20 5 EEBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000454886171 467622259 /nfs/dbraw/zinc/62/22/59/467622259.db2.gz HGHLCEZXVCDTPJ-VIFPVBQESA-N 1 0 348.325 2.363 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449649727 467676450 /nfs/dbraw/zinc/67/64/50/467676450.db2.gz SNQIDURYEUYOHY-QWHCGFSZSA-N 1 0 343.387 2.028 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449706887 467696919 /nfs/dbraw/zinc/69/69/19/467696919.db2.gz PBOMLXFPDPZJCL-CYBMUJFWSA-N 1 0 335.404 2.001 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1SC ZINC000449717066 467698928 /nfs/dbraw/zinc/69/89/28/467698928.db2.gz MLRANXYGVQXXCW-NXEZZACHSA-N 1 0 339.417 2.183 20 5 EEBDRO C[C@@H](O)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450465128 467855587 /nfs/dbraw/zinc/85/55/87/467855587.db2.gz DIWBQSHVZUGLOR-GFCCVEGCSA-N 1 0 348.428 2.221 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458751695 467891631 /nfs/dbraw/zinc/89/16/31/467891631.db2.gz GQWLHMMNNODYPP-DZGCQCFKSA-N 1 0 334.420 2.434 20 5 EEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc2[nH]ccc21 ZINC000494099551 468027476 /nfs/dbraw/zinc/02/74/76/468027476.db2.gz SDBJKOPUPLYALI-UHFFFAOYSA-N 1 0 326.356 2.370 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488355970 468082625 /nfs/dbraw/zinc/08/26/25/468082625.db2.gz YJOOERJHWLJVFV-PRHODGIISA-N 1 0 342.193 2.494 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597532842 468589474 /nfs/dbraw/zinc/58/94/74/468589474.db2.gz LUAZPQANKAVWTJ-GDBMZVCRSA-N 1 0 330.388 2.148 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC12CCC[NH+]1CCC2 ZINC000597586899 468608630 /nfs/dbraw/zinc/60/86/30/468608630.db2.gz KODMIIKNGLKXTH-UHFFFAOYSA-N 1 0 342.399 2.294 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@H]1C(C)C ZINC000600715585 468631128 /nfs/dbraw/zinc/63/11/28/468631128.db2.gz SVUSEQVWZXFNDU-INIZCTEOSA-N 1 0 334.420 2.162 20 5 EEBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)CC2 ZINC000597703759 468644568 /nfs/dbraw/zinc/64/45/68/468644568.db2.gz JFICOAJQGVLQPI-UHFFFAOYSA-N 1 0 335.408 2.045 20 5 EEBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCOCC2 ZINC000592183021 468647801 /nfs/dbraw/zinc/64/78/01/468647801.db2.gz HGSQGMVWZNBZFJ-LBPRGKRZSA-N 1 0 333.388 2.085 20 5 EEBDRO CCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000592368135 468684339 /nfs/dbraw/zinc/68/43/39/468684339.db2.gz SZUIOBXNUPGUJV-OAHLLOKOSA-N 1 0 349.412 2.136 20 5 EEBDRO CC(C)[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592432791 468696670 /nfs/dbraw/zinc/69/66/70/468696670.db2.gz SQGQYGVVPGRMDB-QGZVFWFLSA-N 1 0 343.431 2.425 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592484397 468708861 /nfs/dbraw/zinc/70/88/61/468708861.db2.gz AJTGGQBIKPNKDC-DZGCQCFKSA-N 1 0 334.420 2.160 20 5 EEBDRO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000592488001 468709447 /nfs/dbraw/zinc/70/94/47/468709447.db2.gz FGQAUZIPWJQJAZ-GXFFZTMASA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592489565 468710452 /nfs/dbraw/zinc/71/04/52/468710452.db2.gz NPMXBTRLTQQRIG-YPMHNXCESA-N 1 0 343.387 2.118 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592543530 468727203 /nfs/dbraw/zinc/72/72/03/468727203.db2.gz FRJRTFWVEUUXHR-PWSUYJOCSA-N 1 0 341.795 2.274 20 5 EEBDRO Cc1ccc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c([N+](=O)[O-])c1 ZINC000601177644 468772875 /nfs/dbraw/zinc/77/28/75/468772875.db2.gz YOYLPZBDFGMBQP-OAHLLOKOSA-N 1 0 332.404 2.010 20 5 EEBDRO CC[NH2+]CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000571561152 468805747 /nfs/dbraw/zinc/80/57/47/468805747.db2.gz YMLCVSCSJWDKKE-UHFFFAOYSA-N 1 0 337.423 2.271 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261004 468810131 /nfs/dbraw/zinc/81/01/31/468810131.db2.gz CIKIEWROGPZWQB-LBPRGKRZSA-N 1 0 337.424 2.292 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598262892 468810788 /nfs/dbraw/zinc/81/07/88/468810788.db2.gz NNMQLCAJDCMYFA-GFCCVEGCSA-N 1 0 345.403 2.321 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000595322212 468812186 /nfs/dbraw/zinc/81/21/86/468812186.db2.gz PVYKIZFROMBEJL-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000598342283 468836726 /nfs/dbraw/zinc/83/67/26/468836726.db2.gz LQPKKHFOTSBISI-ZDUSSCGKSA-N 1 0 330.388 2.219 20 5 EEBDRO CCc1noc(CC)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584464730 468877768 /nfs/dbraw/zinc/87/77/68/468877768.db2.gz GLIIUZJBZQWTIB-LBPRGKRZSA-N 1 0 349.387 2.237 20 5 EEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610519152 468994436 /nfs/dbraw/zinc/99/44/36/468994436.db2.gz VCUBNVLRYIFOQR-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO CC(C)N(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602665315 468996627 /nfs/dbraw/zinc/99/66/27/468996627.db2.gz AHVCGMWUBXSDSC-CQSZACIVSA-N 1 0 335.452 2.277 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CCCC3)CC2)cn1 ZINC000602676970 469005244 /nfs/dbraw/zinc/00/52/44/469005244.db2.gz OONHXWFHURTUMW-INIZCTEOSA-N 1 0 334.420 2.099 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593498441 469005496 /nfs/dbraw/zinc/00/54/96/469005496.db2.gz KGRHSLREWPMLMO-AWEZNQCLSA-N 1 0 349.406 2.467 20 5 EEBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602687087 469011689 /nfs/dbraw/zinc/01/16/89/469011689.db2.gz VRUACDHEUUMUJQ-GDBMZVCRSA-N 1 0 330.388 2.381 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCC2)cc1OC ZINC000595967187 469101679 /nfs/dbraw/zinc/10/16/79/469101679.db2.gz NTXNKHUDIZJGPW-UHFFFAOYSA-N 1 0 337.376 2.003 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC000599084371 469111510 /nfs/dbraw/zinc/11/15/10/469111510.db2.gz BKXFXFMLGXHZGI-UONOGXRCSA-N 1 0 339.461 2.122 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733950 469114009 /nfs/dbraw/zinc/11/40/09/469114009.db2.gz OYRCSIYVKWYECI-BLLLJJGKSA-N 1 0 334.420 2.291 20 5 EEBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000601976959 469122953 /nfs/dbraw/zinc/12/29/53/469122953.db2.gz RSBHRTODYJZLAO-PHIMTYICSA-N 1 0 344.314 2.283 20 5 EEBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000601976154 469123130 /nfs/dbraw/zinc/12/31/30/469123130.db2.gz SRGKHBVHTRBEMC-KDOFPFPSSA-N 1 0 344.415 2.067 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000599160214 469142147 /nfs/dbraw/zinc/14/21/47/469142147.db2.gz KATGWGXZNKFPTR-UHFFFAOYSA-N 1 0 340.811 2.334 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000611223991 469199348 /nfs/dbraw/zinc/19/93/48/469199348.db2.gz SXNYOYCWAJRDHL-GFCCVEGCSA-N 1 0 328.372 2.309 20 5 EEBDRO CNC(=O)c1ccc(N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596488140 469282054 /nfs/dbraw/zinc/28/20/54/469282054.db2.gz MNYVJBNXTSSDOW-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)nc2c1 ZINC000602580889 469370082 /nfs/dbraw/zinc/37/00/82/469370082.db2.gz DYHYVYYNWMHNRN-ZBEGNZNMSA-N 1 0 333.344 2.164 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000603423206 469390291 /nfs/dbraw/zinc/39/02/91/469390291.db2.gz NBLVETDZNHSEHB-UHFFFAOYSA-N 1 0 334.420 2.396 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388426 469700699 /nfs/dbraw/zinc/70/06/99/469700699.db2.gz ABVDEMWEDBKVNH-CJNGLKHVSA-N 1 0 343.383 2.288 20 5 EEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2ccccc21 ZINC000610335374 470004855 /nfs/dbraw/zinc/00/48/55/470004855.db2.gz RRDHUHPHGIECRA-NVXWUHKLSA-N 1 0 330.388 2.162 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000602538404 485640717 /nfs/dbraw/zinc/64/07/17/485640717.db2.gz FKVNSGWRYQDYIT-GVDBMIGSSA-N 1 0 336.388 2.290 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000602539452 485642366 /nfs/dbraw/zinc/64/23/66/485642366.db2.gz GLENNOBDORVYPS-CMPLNLGQSA-N 1 0 331.294 2.194 20 5 EEBDRO CC(C)(O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000189653310 527339845 /nfs/dbraw/zinc/33/98/45/527339845.db2.gz QQIFWEPOJCWKFK-UHFFFAOYSA-N 1 0 339.367 2.298 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183624190 528134372 /nfs/dbraw/zinc/13/43/72/528134372.db2.gz GBPALMGSLMDJIL-UHFFFAOYSA-N 1 0 331.319 2.268 20 5 EEBDRO CC1(C)CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000183733530 529119833 /nfs/dbraw/zinc/11/98/33/529119833.db2.gz XDUCQNXEFDBGEH-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO CC(C)C[N@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266510217 535055043 /nfs/dbraw/zinc/05/50/43/535055043.db2.gz DMZWSGAKEJTCDE-SFHVURJKSA-N 1 0 346.431 2.353 20 5 EEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000456876147 535673120 /nfs/dbraw/zinc/67/31/20/535673120.db2.gz AOPWZPYTGIUPAQ-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738142279 578000700 /nfs/dbraw/zinc/00/07/00/578000700.db2.gz BOYJAFFQKJXSJI-QGZVFWFLSA-N 1 0 329.404 2.442 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CCCCO)CC1 ZINC000750055379 576417906 /nfs/dbraw/zinc/41/79/06/576417906.db2.gz WIHUQUZMTFXURL-UHFFFAOYSA-N 1 0 327.812 2.138 20 5 EEBDRO COc1ccc(C[NH2+]CC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000730107151 576715964 /nfs/dbraw/zinc/71/59/64/576715964.db2.gz YZYRBUXNOOCDSZ-UHFFFAOYSA-N 1 0 341.367 2.282 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000731469569 577102342 /nfs/dbraw/zinc/10/23/42/577102342.db2.gz ZULHTBVFURSTLI-CYBMUJFWSA-N 1 0 328.372 2.066 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000731678964 577116110 /nfs/dbraw/zinc/11/61/10/577116110.db2.gz UDNPCLDFAOGHPP-HNNXBMFYSA-N 1 0 330.340 2.189 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000733165327 577206104 /nfs/dbraw/zinc/20/61/04/577206104.db2.gz BUPILZMGWURCSF-MRXNPFEDSA-N 1 0 336.436 2.489 20 5 EEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733165743 577206120 /nfs/dbraw/zinc/20/61/20/577206120.db2.gz LLPNHHOQSLTZGE-INIZCTEOSA-N 1 0 345.403 2.097 20 5 EEBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771793199 577230168 /nfs/dbraw/zinc/23/01/68/577230168.db2.gz IXNQWMYOTRTJRD-NSHDSACASA-N 1 0 329.784 2.183 20 5 EEBDRO CC(C)N1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000773004785 577310002 /nfs/dbraw/zinc/31/00/02/577310002.db2.gz HFISLMPKSMFEBL-OAHLLOKOSA-N 1 0 346.431 2.163 20 5 EEBDRO CC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773065610 577313686 /nfs/dbraw/zinc/31/36/86/577313686.db2.gz MGXYFKYEBAXAEW-HNNXBMFYSA-N 1 0 326.418 2.460 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000765748177 577506595 /nfs/dbraw/zinc/50/65/95/577506595.db2.gz JULIAIPFDUOPGP-GFCCVEGCSA-N 1 0 330.392 2.043 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000766579569 577521831 /nfs/dbraw/zinc/52/18/31/577521831.db2.gz AGFHHTMUVSPSFY-OAHLLOKOSA-N 1 0 341.415 2.434 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768773180 577562167 /nfs/dbraw/zinc/56/21/67/577562167.db2.gz SZXIHOYRWNRAEX-QWRGUYRKSA-N 1 0 340.811 2.211 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000768843899 577563904 /nfs/dbraw/zinc/56/39/04/577563904.db2.gz XWYGQUDGXOLIDA-GHMZBOCLSA-N 1 0 347.462 2.150 20 5 EEBDRO CC[N@H+](CCc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000744194358 577894321 /nfs/dbraw/zinc/89/43/21/577894321.db2.gz DFXPGEZQYPSCDK-KRWDZBQOSA-N 1 0 345.399 2.294 20 5 EEBDRO Cc1nn(C[N@H+](C)CCCn2ccnc2C)c2ncc([N+](=O)[O-])cc12 ZINC000746631645 577931227 /nfs/dbraw/zinc/93/12/27/577931227.db2.gz MYUZSWDAGWAVRB-UHFFFAOYSA-N 1 0 343.391 2.132 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000748517478 577963369 /nfs/dbraw/zinc/96/33/69/577963369.db2.gz WJNLTENIQHWBBN-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749800275 577981971 /nfs/dbraw/zinc/98/19/71/577981971.db2.gz RFZZYOHOPMTMLC-CABCVRRESA-N 1 0 343.387 2.169 20 5 EEBDRO Cc1nn(CN2CCC[N@@H+](C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749952074 577984429 /nfs/dbraw/zinc/98/44/29/577984429.db2.gz SHGISDNOTOGUBB-UHFFFAOYSA-N 1 0 332.408 2.022 20 5 EEBDRO CCOC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749953297 577984592 /nfs/dbraw/zinc/98/45/92/577984592.db2.gz LMHBVTCCFKYCLR-ZDUSSCGKSA-N 1 0 333.392 2.354 20 5 EEBDRO COc1cc(C[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000741257056 578115707 /nfs/dbraw/zinc/11/57/07/578115707.db2.gz BSXSZFQIXPFLIR-LLVKDONJSA-N 1 0 346.330 2.455 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742149689 578127931 /nfs/dbraw/zinc/12/79/31/578127931.db2.gz MAMWFGTXQMVTAA-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000736138661 578182730 /nfs/dbraw/zinc/18/27/30/578182730.db2.gz NLNCLKBNZSMWDT-SNVBAGLBSA-N 1 0 333.396 2.163 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N(C)OC ZINC000858587579 674736433 /nfs/dbraw/zinc/73/64/33/674736433.db2.gz PLDOFECBDBZVMV-NEPJUHHUSA-N 1 0 341.433 2.463 20 5 EEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050900075 676487453 /nfs/dbraw/zinc/48/74/53/676487453.db2.gz STUGCRSHCPRGDL-CYBMUJFWSA-N 1 0 345.403 2.140 20 5 EEBDRO Cc1ncsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021860783 676523356 /nfs/dbraw/zinc/52/33/56/676523356.db2.gz WNBANGKDKYZXDU-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccnc(F)c1 ZINC001021887893 676535344 /nfs/dbraw/zinc/53/53/44/676535344.db2.gz NPNZDPUQFRZXEV-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO Cn1c2ccccc2c(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000892344841 679170141 /nfs/dbraw/zinc/17/01/41/679170141.db2.gz HCASDFCMCBNBAG-AWEZNQCLSA-N 1 0 330.388 2.199 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000840880494 681388621 /nfs/dbraw/zinc/38/86/21/681388621.db2.gz UJQVJDQRCHRKOA-NSHDSACASA-N 1 0 342.417 2.221 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC000983153395 681910238 /nfs/dbraw/zinc/91/02/38/681910238.db2.gz MKEOZYCWPJRVAF-HDJSIYSDSA-N 1 0 328.372 2.221 20 5 EEBDRO COc1c(O)ccc(C[NH2+]CCN2CCc3ccccc32)c1[N+](=O)[O-] ZINC000892710885 682826010 /nfs/dbraw/zinc/82/60/10/682826010.db2.gz DUOCWPWHTAWISB-UHFFFAOYSA-N 1 0 343.383 2.461 20 5 EEBDRO CCC[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057091 683576857 /nfs/dbraw/zinc/57/68/57/683576857.db2.gz DJWNOUVYAAPUAE-LBPRGKRZSA-N 1 0 330.388 2.025 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccsc1 ZINC001029304775 683940332 /nfs/dbraw/zinc/94/03/32/683940332.db2.gz KAPYFBDCRZKKQP-QKPAOTATSA-N 1 0 349.456 2.021 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000895228253 684311019 /nfs/dbraw/zinc/31/10/19/684311019.db2.gz XGHUCQYDHCCBKR-ZIAGYGMSSA-N 1 0 335.404 2.416 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000895544382 684638661 /nfs/dbraw/zinc/63/86/61/684638661.db2.gz LAAYDHVJFPNADT-CYBMUJFWSA-N 1 0 340.351 2.328 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000893452607 687691759 /nfs/dbraw/zinc/69/17/59/687691759.db2.gz MPKGTUIGQMBMEP-BJJXKVORSA-N 1 0 332.404 2.310 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000893452620 687691789 /nfs/dbraw/zinc/69/17/89/687691789.db2.gz MPKGTUIGQMBMEP-NOLJZWGESA-N 1 0 332.404 2.310 20 5 EEBDRO C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246314 688228614 /nfs/dbraw/zinc/22/86/14/688228614.db2.gz GSJVECCSJDXUMH-DYVFJYSZSA-N 1 0 332.404 2.393 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010848 691181287 /nfs/dbraw/zinc/18/12/87/691181287.db2.gz JHMDDOAAOHYWAU-KWQFWETISA-N 1 0 342.783 2.483 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898598062 693390433 /nfs/dbraw/zinc/39/04/33/693390433.db2.gz ONZIDQPKENHWBO-UHFFFAOYSA-N 1 0 334.420 2.468 20 5 EEBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867400 1189943659 /nfs/dbraw/zinc/94/36/59/1189943659.db2.gz NJGRLFFPZDROAO-MWODSPESSA-N 1 0 327.768 2.200 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825568487 1198276685 /nfs/dbraw/zinc/27/66/85/1198276685.db2.gz RGNIRBCBQMZOGM-NSHDSACASA-N 1 0 340.399 2.260 20 5 EEBDRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873028763 1198478031 /nfs/dbraw/zinc/47/80/31/1198478031.db2.gz ZTYHTFHSIVSIAB-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO Cc1c(C[NH2+]C2CCN(c3cccnn3)CC2)cccc1[N+](=O)[O-] ZINC000873114634 1198503009 /nfs/dbraw/zinc/50/30/09/1198503009.db2.gz NGDIOBXFYGKYKI-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000105599395 1200542695 /nfs/dbraw/zinc/54/26/95/1200542695.db2.gz AKKDLJZBWHQKEP-UHFFFAOYSA-N 1 0 339.367 2.055 20 5 EEBDRO CC1(C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000127380735 1200719266 /nfs/dbraw/zinc/71/92/66/1200719266.db2.gz XXRKXUOSDWNWMX-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000795141955 1200885337 /nfs/dbraw/zinc/88/53/37/1200885337.db2.gz ZMECDUCTSPIIDH-NEPJUHHUSA-N 1 0 327.812 2.448 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000812883345 1200968335 /nfs/dbraw/zinc/96/83/35/1200968335.db2.gz STUDCISPZPQKCI-RBUKOAKNSA-N 1 0 342.395 2.264 20 5 EEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000826113165 1201170350 /nfs/dbraw/zinc/17/03/50/1201170350.db2.gz QDPIHOZDWNPJEC-RDJZCZTQSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)COCC1CC1 ZINC000866252319 1201476255 /nfs/dbraw/zinc/47/62/55/1201476255.db2.gz WXDPUKMKIXAOFI-XHDPSFHLSA-N 1 0 326.368 2.042 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000866336281 1201495672 /nfs/dbraw/zinc/49/56/72/1201495672.db2.gz PDLMXLWZHYQWPF-BXUZGUMPSA-N 1 0 344.408 2.222 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000866346038 1201497045 /nfs/dbraw/zinc/49/70/45/1201497045.db2.gz GTYDHMCLXZSNFX-VHSXEESVSA-N 1 0 334.355 2.337 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000866351148 1201498156 /nfs/dbraw/zinc/49/81/56/1201498156.db2.gz NCAZOHKXAFGTFV-LLVKDONJSA-N 1 0 344.408 2.222 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c1 ZINC000880550925 1201519660 /nfs/dbraw/zinc/51/96/60/1201519660.db2.gz WWSBJRIRQPEYHG-OAHLLOKOSA-N 1 0 327.388 2.276 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC000880569182 1201525380 /nfs/dbraw/zinc/52/53/80/1201525380.db2.gz JHKYFCMWGSWJIO-INIZCTEOSA-N 1 0 326.360 2.019 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726862 1201929447 /nfs/dbraw/zinc/92/94/47/1201929447.db2.gz FLOIATJYVHYVED-LBPRGKRZSA-N 1 0 340.811 2.381 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000884361011 1202301682 /nfs/dbraw/zinc/30/16/82/1202301682.db2.gz KFCKQLBNPFFCAR-VXGBXAGGSA-N 1 0 329.759 2.172 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000884855572 1202366458 /nfs/dbraw/zinc/36/64/58/1202366458.db2.gz KWMNIOFDNXMCRM-CYBMUJFWSA-N 1 0 338.371 2.353 20 5 EEBDRO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000886193721 1202480042 /nfs/dbraw/zinc/48/00/42/1202480042.db2.gz BAYOFYVGVBISBV-QGZVFWFLSA-N 1 0 326.400 2.349 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889824548 1204720198 /nfs/dbraw/zinc/72/01/98/1204720198.db2.gz YNBFRIMQXAKMFJ-UHFFFAOYSA-N 1 0 335.379 2.410 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838422 1204723878 /nfs/dbraw/zinc/72/38/78/1204723878.db2.gz HWGOPAWTQQEQHP-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095567053 1205877018 /nfs/dbraw/zinc/87/70/18/1205877018.db2.gz NZYSJOXRMIWAAF-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC001095567318 1205877084 /nfs/dbraw/zinc/87/70/84/1205877084.db2.gz YLGNGTWTMUHMNO-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000928245923 1206363764 /nfs/dbraw/zinc/36/37/64/1206363764.db2.gz ZKJAQXHTXYLUDM-OAHLLOKOSA-N 1 0 348.447 2.188 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C ZINC000928556476 1206398745 /nfs/dbraw/zinc/39/87/45/1206398745.db2.gz PQSMLEOGHXAGAI-VIFPVBQESA-N 1 0 342.193 2.100 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931651065 1207433213 /nfs/dbraw/zinc/43/32/13/1207433213.db2.gz DRRKLRXPMYGWHO-BRWVUGGUSA-N 1 0 329.400 2.395 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934699043 1208011744 /nfs/dbraw/zinc/01/17/44/1208011744.db2.gz SDBORNMOASTWEW-QAPCUYQASA-N 1 0 343.383 2.470 20 5 EEBDRO CC(C)[NH+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000194336136 1211161841 /nfs/dbraw/zinc/16/18/41/1211161841.db2.gz OKMXSVCKAVWROS-UHFFFAOYSA-N 1 0 347.412 2.131 20 5 EEBDRO COc1cccc(OC)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796287409 1215714864 /nfs/dbraw/zinc/71/48/64/1215714864.db2.gz KNVMILGBXZHWDJ-HNNXBMFYSA-N 1 0 332.356 2.435 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789803 1218040758 /nfs/dbraw/zinc/04/07/58/1218040758.db2.gz BPQMVWIPICCQTL-YVXVDGILSA-N 1 0 335.448 2.249 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000796531887 1221117984 /nfs/dbraw/zinc/11/79/84/1221117984.db2.gz MOSHWXJRSSIOPN-SJORKVTESA-N 1 0 343.383 2.177 20 5 EEBDRO C/C=C(\C)C(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096251188 1236694340 /nfs/dbraw/zinc/69/43/40/1236694340.db2.gz CAHGKXBEKGPCDP-CRKCGEKBSA-N 1 0 346.431 2.189 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2C1 ZINC001048813017 1238716277 /nfs/dbraw/zinc/71/62/77/1238716277.db2.gz WAASMHOYDRFULW-YYIAUSFCSA-N 1 0 347.459 2.012 20 5 EEBDRO CC(C)=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291128 1245487364 /nfs/dbraw/zinc/48/73/64/1245487364.db2.gz LDOCNMXDBXDGGA-QZTJIDSGSA-N 1 0 343.427 2.292 20 5 EEBDRO CC(C)=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264612 1247932659 /nfs/dbraw/zinc/93/26/59/1247932659.db2.gz MRXSTULRJYXHSJ-IAGOWNOFSA-N 1 0 329.400 2.250 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C1CCC1)c1cc(C)ccc1[N+](=O)[O-] ZINC001100750985 1259213313 /nfs/dbraw/zinc/21/33/13/1259213313.db2.gz CPOCZKWZGNHDAM-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCC[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160253 1284949502 /nfs/dbraw/zinc/94/95/02/1284949502.db2.gz ARRZIRVNPRTESG-UHFFFAOYSA-N 1 0 331.170 2.170 20 5 EEBDRO COCC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001201619368 1289701756 /nfs/dbraw/zinc/70/17/56/1289701756.db2.gz MBOIQQPBKGQBIF-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO C[C@H](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000853848321 1292486429 /nfs/dbraw/zinc/48/64/29/1292486429.db2.gz WDSKWOWEEZQQND-SNVBAGLBSA-N 1 0 328.800 2.388 20 5 EEBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858578106 1294159112 /nfs/dbraw/zinc/15/91/12/1294159112.db2.gz GXEWVRSTDTUWPF-GZBFAFLISA-N 1 0 335.404 2.304 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000117106594 1294737460 /nfs/dbraw/zinc/73/74/60/1294737460.db2.gz YEIPVJULXLAASP-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC([C@@H]2CCOC2)CC1 ZINC000794638342 1296500633 /nfs/dbraw/zinc/50/06/33/1296500633.db2.gz DDHCLUINEHKXSE-CYBMUJFWSA-N 1 0 347.371 2.209 20 5 EEBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001218024437 1297550545 /nfs/dbraw/zinc/55/05/45/1297550545.db2.gz OBNVXOOIONRKHY-VXNVDRBHSA-N 1 0 335.282 2.481 20 5 EEBDRO CC1CC[NH+](CC(=O)N(C)CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001101740024 1299780745 /nfs/dbraw/zinc/78/07/45/1299780745.db2.gz MVVDUYWPSWJTES-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001222770886 1299846901 /nfs/dbraw/zinc/84/69/01/1299846901.db2.gz OCDJSUPCPVTPDM-NXOAAHMSSA-N 1 0 334.372 2.278 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(Cl)ccc2s1 ZINC001225727466 1301138637 /nfs/dbraw/zinc/13/86/37/1301138637.db2.gz YYLJAWOWGIKQMR-SNVBAGLBSA-N 1 0 329.829 2.312 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001231177231 1303666989 /nfs/dbraw/zinc/66/69/89/1303666989.db2.gz WBUNMHUKAIKUNX-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC001233665461 1304552609 /nfs/dbraw/zinc/55/26/09/1304552609.db2.gz IFYINRRHAHMZOJ-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO COC(=O)c1cnc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001233866998 1304620058 /nfs/dbraw/zinc/62/00/58/1304620058.db2.gz RMYFKSJQKLCARV-UHFFFAOYSA-N 1 0 337.376 2.418 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000799336530 1305230713 /nfs/dbraw/zinc/23/07/13/1305230713.db2.gz NNTRUPOBHUXDJU-RTBURBONSA-N 1 0 342.395 2.442 20 5 EEBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001116895215 1305927750 /nfs/dbraw/zinc/92/77/50/1305927750.db2.gz ZWMHGEOVUTYLMY-ZDUSSCGKSA-N 1 0 342.193 2.055 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001120008284 1309278475 /nfs/dbraw/zinc/27/84/75/1309278475.db2.gz NJBZREMZYGYSKP-QGZVFWFLSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC001120557753 1309610510 /nfs/dbraw/zinc/61/05/10/1309610510.db2.gz AHNVDICPBMDCHU-MEDUHNTESA-N 1 0 344.371 2.470 20 5 EEBDRO COc1ccc(C[C@H](C)N2CCC(F)(F)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558107 1310341181 /nfs/dbraw/zinc/34/11/81/1310341181.db2.gz ONTZVPKFAXOLCV-WCQYABFASA-N 1 0 343.374 2.450 20 5 EEBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001122823291 1310402855 /nfs/dbraw/zinc/40/28/55/1310402855.db2.gz WJIOWHAQOWZUDQ-CYBMUJFWSA-N 1 0 338.456 2.192 20 5 EEBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000841856576 1315624635 /nfs/dbraw/zinc/62/46/35/1315624635.db2.gz SMGIDBKEJIIFGG-TVQRCGJNSA-N 1 0 326.784 2.127 20 5 EEBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000841857457 1315625028 /nfs/dbraw/zinc/62/50/28/1315625028.db2.gz ZKYDIMXBSPSBDM-UWVGGRQHSA-N 1 0 326.784 2.140 20 5 EEBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842476608 1315712924 /nfs/dbraw/zinc/71/29/24/1315712924.db2.gz BAYZCJNLGFHLHM-SNVBAGLBSA-N 1 0 328.800 2.117 20 5 EEBDRO [NH3+]C1(c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)CCC1 ZINC000842615961 1315732616 /nfs/dbraw/zinc/73/26/16/1315732616.db2.gz CGXNHYMADQQECX-LBPRGKRZSA-N 1 0 329.316 2.181 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842919101 1315798932 /nfs/dbraw/zinc/79/89/32/1315798932.db2.gz JOSKVJVQCQVKIL-UHFFFAOYSA-N 1 0 349.840 2.354 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843469299 1315919946 /nfs/dbraw/zinc/91/99/46/1315919946.db2.gz LHNFORLDCQJZIU-NXEZZACHSA-N 1 0 329.759 2.316 20 5 EEBDRO O=C(COCc1ccccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150747165 1316362639 /nfs/dbraw/zinc/36/26/39/1316362639.db2.gz MRQAHDOXWDONSS-UHFFFAOYSA-N 1 0 343.383 2.017 20 5 EEBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)n1 ZINC001249342536 1317057483 /nfs/dbraw/zinc/05/74/83/1317057483.db2.gz NVXYWRODYSOXMA-LLVKDONJSA-N 1 0 341.327 2.291 20 5 EEBDRO CCOCCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154973515 1317406170 /nfs/dbraw/zinc/40/61/70/1317406170.db2.gz HZZPTLWCNVKHOH-UHFFFAOYSA-N 1 0 329.422 2.069 20 5 EEBDRO C[NH+](C)C[C@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001154985412 1317410253 /nfs/dbraw/zinc/41/02/53/1317410253.db2.gz SLGXXPUVLHNECF-HNNXBMFYSA-N 1 0 342.399 2.424 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001155247426 1317520315 /nfs/dbraw/zinc/52/03/15/1317520315.db2.gz HJSWLXATRPZDQM-SECBINFHSA-N 1 0 341.327 2.135 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)nc1Cl ZINC001155475960 1317613652 /nfs/dbraw/zinc/61/36/52/1317613652.db2.gz CPLYWYIAKOLUIY-SNVBAGLBSA-N 1 0 326.784 2.132 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC001155579169 1317658440 /nfs/dbraw/zinc/65/84/40/1317658440.db2.gz VWXSPONCXRQREI-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO CC(C)Oc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155623775 1317679392 /nfs/dbraw/zinc/67/93/92/1317679392.db2.gz CUSMCHBROYHQID-MLGOLLRUSA-N 1 0 336.392 2.100 20 5 EEBDRO CC1(C(N)=O)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254478974 1318085035 /nfs/dbraw/zinc/08/50/35/1318085035.db2.gz NABMJCWOBPINPM-UHFFFAOYSA-N 1 0 346.431 2.151 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC001254546621 1318116745 /nfs/dbraw/zinc/11/67/45/1318116745.db2.gz HKBUCDCXBMCQKH-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO CCO[C@@H]1C[C@H]2CN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC[N@@H+]2C1 ZINC001254556928 1318121238 /nfs/dbraw/zinc/12/12/38/1318121238.db2.gz NHCDWJORLKVGFY-HYVNUMGLSA-N 1 0 333.432 2.321 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001254563622 1318123164 /nfs/dbraw/zinc/12/31/64/1318123164.db2.gz ZRFUOXQAEQAHDN-DOTOQJQBSA-N 1 0 333.432 2.322 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3ccnn3)cc1)C2 ZINC001254589393 1318136941 /nfs/dbraw/zinc/13/69/41/1318136941.db2.gz NZAXGXTXDVBXND-INIZCTEOSA-N 1 0 335.367 2.433 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256083911 1318643326 /nfs/dbraw/zinc/64/33/26/1318643326.db2.gz YBIMTYQLVMLUJK-SAZUREKKSA-N 1 0 349.431 2.465 20 5 EEBDRO O=C(CCOCC1CC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157894038 1318920471 /nfs/dbraw/zinc/92/04/71/1318920471.db2.gz PXXUWGGOAACKHS-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)CC12CCCC2 ZINC001158410698 1319225594 /nfs/dbraw/zinc/22/55/94/1319225594.db2.gz YWWSRVYLEDNSMO-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO Cc1nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)ncc1[N+](=O)[O-] ZINC001159030143 1319569373 /nfs/dbraw/zinc/56/93/73/1319569373.db2.gz HWLADZPYASGLEO-UHFFFAOYSA-N 1 0 325.372 2.292 20 5 EEBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159678093 1319945688 /nfs/dbraw/zinc/94/56/88/1319945688.db2.gz OAYUSQVODBWNTI-STQMWFEESA-N 1 0 328.803 2.429 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@@H]1CCCC[NH2+]1 ZINC001160145804 1320084512 /nfs/dbraw/zinc/08/45/12/1320084512.db2.gz ULYRYVMFRQNSIA-VIFPVBQESA-N 1 0 342.783 2.374 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc1Cl ZINC001161464265 1320508528 /nfs/dbraw/zinc/50/85/28/1320508528.db2.gz KATASHITPCXIKY-LBPRGKRZSA-N 1 0 339.827 2.190 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001161581285 1320546617 /nfs/dbraw/zinc/54/66/17/1320546617.db2.gz NBKYTANFIKOYJP-UHFFFAOYSA-N 1 0 333.779 2.493 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001161581651 1320546620 /nfs/dbraw/zinc/54/66/20/1320546620.db2.gz WCZSUBTYKLZDQN-UHFFFAOYSA-N 1 0 333.779 2.493 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001161939420 1320684665 /nfs/dbraw/zinc/68/46/65/1320684665.db2.gz NLPLKDBBYGCBRA-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@]2(CC3CC3)CCC[NH2+]2)c1 ZINC001162351073 1320834092 /nfs/dbraw/zinc/83/40/92/1320834092.db2.gz SELYMSXYEMTSFK-CQSZACIVSA-N 1 0 326.784 2.216 20 5 EEBDRO CCOC(=O)c1cnc(NC[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001162453846 1320860369 /nfs/dbraw/zinc/86/03/69/1320860369.db2.gz MCYSRQXBCDGGBL-VXGBXAGGSA-N 1 0 336.392 2.214 20 5 EEBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162470049 1320865992 /nfs/dbraw/zinc/86/59/92/1320865992.db2.gz HHJCCUWPDIGYSQ-VXGBXAGGSA-N 1 0 341.433 2.046 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC001162732366 1320943652 /nfs/dbraw/zinc/94/36/52/1320943652.db2.gz DNHOKUFMPYLVSZ-CQSZACIVSA-N 1 0 339.392 2.147 20 5 EEBDRO CN1Cc2cc(N3C[C@H]([NH3+])Cc4ccccc43)cc([N+](=O)[O-])c2N1 ZINC001162855260 1320975755 /nfs/dbraw/zinc/97/57/55/1320975755.db2.gz YFEYRHFHFDHLAW-CYBMUJFWSA-N 1 0 325.372 2.389 20 5 EEBDRO CCOC(=O)c1ccnc(NC2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001162985800 1321005448 /nfs/dbraw/zinc/00/54/48/1321005448.db2.gz DCAXORGILWPKMW-UHFFFAOYSA-N 1 0 334.376 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163191906 1321063358 /nfs/dbraw/zinc/06/33/58/1321063358.db2.gz VOUATZPQGQYEIF-CXAGYDPISA-N 1 0 326.356 2.200 20 5 EEBDRO CC(C)OCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163698654 1321196065 /nfs/dbraw/zinc/19/60/65/1321196065.db2.gz BWLXGQYTKUOVGF-UHFFFAOYSA-N 1 0 349.431 2.396 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164603718 1321431731 /nfs/dbraw/zinc/43/17/31/1321431731.db2.gz QHSZAPVXCHOUOL-GFCCVEGCSA-N 1 0 333.779 2.059 20 5 EEBDRO C[NH+]1C[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001165147095 1321465179 /nfs/dbraw/zinc/46/51/79/1321465179.db2.gz HUKMIHZSHWZSQL-NXEZZACHSA-N 1 0 333.779 2.189 20 5 EEBDRO [NH3+]CC1(F)CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165261884 1321485835 /nfs/dbraw/zinc/48/58/35/1321485835.db2.gz FULKWJHNCLBXPF-UHFFFAOYSA-N 1 0 339.758 2.459 20 5 EEBDRO Cc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165306893 1321497560 /nfs/dbraw/zinc/49/75/60/1321497560.db2.gz JTEUSNURPKLMQT-LLVKDONJSA-N 1 0 345.325 2.347 20 5 EEBDRO CCc1cc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165385974 1321513000 /nfs/dbraw/zinc/51/30/00/1321513000.db2.gz WQIFKRNDARQKMV-MIFYACCESA-N 1 0 325.372 2.008 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001166702782 1321770126 /nfs/dbraw/zinc/77/01/26/1321770126.db2.gz OVFOTCZVMPABDG-CQSZACIVSA-N 1 0 336.355 2.233 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ncccn3)CC2)c1 ZINC001308091454 1331563720 /nfs/dbraw/zinc/56/37/20/1331563720.db2.gz TWWDXAILTPYUEW-INIZCTEOSA-N 1 0 328.372 2.298 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC2(C1)OCCO2 ZINC001308932953 1331609341 /nfs/dbraw/zinc/60/93/41/1331609341.db2.gz USKNVKCWTWQCDQ-GFCCVEGCSA-N 1 0 349.387 2.055 20 5 EEBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001609215079 1351895615 /nfs/dbraw/zinc/89/56/15/1351895615.db2.gz PUVGSVADFIXLGC-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001327487255 1334300761 /nfs/dbraw/zinc/30/07/61/1334300761.db2.gz RZUWBZYKQUHIRV-ZDUSSCGKSA-N 1 0 337.424 2.002 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001329101440 1334585799 /nfs/dbraw/zinc/58/57/99/1334585799.db2.gz NXMPYCHLEXWDJO-CYBMUJFWSA-N 1 0 332.404 2.194 20 5 EEBDRO [NH3+][C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC001332514642 1335838953 /nfs/dbraw/zinc/83/89/53/1335838953.db2.gz ASLNEWCQXAADPJ-KRWDZBQOSA-N 1 0 346.431 2.151 20 5 EEBDRO Cc1cccc([C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001333007160 1335946170 /nfs/dbraw/zinc/94/61/70/1335946170.db2.gz WNQDDACWLWQUNP-INIZCTEOSA-N 1 0 330.388 2.470 20 5 EEBDRO Cc1nc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001334304824 1336236383 /nfs/dbraw/zinc/23/63/83/1336236383.db2.gz MUFLVZZBRMQXBE-FOLVSLTJSA-N 1 0 325.372 2.236 20 5 EEBDRO C[C@H](c1nnc(N2CC[NH+]([C@H](C)c3ccccc3)CC2)n1C)[N+](=O)[O-] ZINC001339668211 1337048605 /nfs/dbraw/zinc/04/86/05/1337048605.db2.gz ONDUXRRNCWBORQ-ZIAGYGMSSA-N 1 0 344.419 2.036 20 5 EEBDRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC001576008973 1343942422 /nfs/dbraw/zinc/94/24/22/1343942422.db2.gz VTFFNUXTVUIYPB-UGSOOPFHSA-N 1 0 343.383 2.352 20 5 EEBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[NH2+]C1 ZINC001577633666 1344173039 /nfs/dbraw/zinc/17/30/39/1344173039.db2.gz FOMSWYSDFNZORB-CQSZACIVSA-N 1 0 330.388 2.219 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC001579643252 1344402148 /nfs/dbraw/zinc/40/21/48/1344402148.db2.gz LVOUEBDFRCCHTR-CQSZACIVSA-N 1 0 343.305 2.334 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580258800 1344501966 /nfs/dbraw/zinc/50/19/66/1344501966.db2.gz YIFLSVIBTLTSAO-WPRPVWTQSA-N 1 0 331.294 2.471 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001580262168 1344502906 /nfs/dbraw/zinc/50/29/06/1344502906.db2.gz PUTUUGZHKGVUOE-WCQYABFASA-N 1 0 349.387 2.003 20 5 EEBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC001580277679 1344505671 /nfs/dbraw/zinc/50/56/71/1344505671.db2.gz XXFNUBVNIDWRFG-APPZFPTMSA-N 1 0 334.254 2.076 20 5 EEBDRO C[C@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590261880 1349237773 /nfs/dbraw/zinc/23/77/73/1349237773.db2.gz ZBFTYKOGMPJCHZ-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO C[N@H+](CCCCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC001591065192 1349437575 /nfs/dbraw/zinc/43/75/75/1349437575.db2.gz GOWGSIQYIZYVGR-UHFFFAOYSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000090439244 1357071859 /nfs/dbraw/zinc/07/18/59/1357071859.db2.gz OXWXEMCJUWQLTI-VIFPVBQESA-N 1 0 348.140 2.330 20 5 EEBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)c(I)c1 ZINC000097410659 1358135526 /nfs/dbraw/zinc/13/55/26/1358135526.db2.gz OXWXEMCJUWQLTI-SECBINFHSA-N 1 0 348.140 2.330 20 5 EEBDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555889 1368035796 /nfs/dbraw/zinc/03/57/96/1368035796.db2.gz JUFIXWIQQOYAAZ-MGPQQGTHSA-N 1 0 336.436 2.327 20 5 EEBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000794625674 1369589847 /nfs/dbraw/zinc/58/98/47/1369589847.db2.gz JPQOWIBPQSHLTK-ZDUSSCGKSA-N 1 0 346.387 2.020 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCOC1 ZINC000782530213 1371308720 /nfs/dbraw/zinc/30/87/20/1371308720.db2.gz IHEMWNYEJIWBDM-RYUDHWBXSA-N 1 0 339.367 2.467 20 5 EEBDRO CC(C)c1[nH]nc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001575846989 1403557301 /nfs/dbraw/zinc/55/73/01/1403557301.db2.gz FHRHZGBIZHONMA-NSHDSACASA-N 1 0 343.387 2.219 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001577309499 1403636716 /nfs/dbraw/zinc/63/67/16/1403636716.db2.gz WOOSVAOQXIOTER-TZMCWYRMSA-N 1 0 328.372 2.200 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100707161 1410699594 /nfs/dbraw/zinc/69/95/94/1410699594.db2.gz QGOHKPGEIHGUQG-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO Cc1c(F)cnc(N(Cc2ccccc2)C2(C[NH3+])COC2)c1[N+](=O)[O-] ZINC001167365307 758146359 /nfs/dbraw/zinc/14/63/59/758146359.db2.gz PWPBLVBOFSZPCG-UHFFFAOYSA-N 1 0 346.362 2.172 20 5 EEBDRO N=c1cc(C[NH3+])ccn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001167690637 761567005 /nfs/dbraw/zinc/56/70/05/761567005.db2.gz RTIYZNJAJOWFIS-UHFFFAOYSA-N 1 0 341.140 2.225 20 5 EEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1csc([N+](=O)[O-])c1 ZINC000918696709 769324823 /nfs/dbraw/zinc/32/48/23/769324823.db2.gz GONUCXPJSKBVCL-ZDUSSCGKSA-N 1 0 339.417 2.030 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](Cc1ccsc1)C2 ZINC000982278455 779500938 /nfs/dbraw/zinc/50/09/38/779500938.db2.gz DLHLPYOPZPOITQ-SRABZTEZSA-N 1 0 349.456 2.084 20 5 EEBDRO COC(=O)[C@]12C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000847016794 790833952 /nfs/dbraw/zinc/83/39/52/790833952.db2.gz FUGWXPBHWIRAPA-UWWQBHOKSA-N 1 0 348.399 2.293 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091462216 790902312 /nfs/dbraw/zinc/90/23/12/790902312.db2.gz GPOFSTUECQMKAN-CTYIDZIISA-N 1 0 334.420 2.242 20 5 EEBDRO Cc1nc2ccccn2c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809733571 783315772 /nfs/dbraw/zinc/31/57/72/783315772.db2.gz ZJTXGGUYHBJWST-INIZCTEOSA-N 1 0 326.356 2.374 20 5 EEBDRO CCOC(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734489 783316384 /nfs/dbraw/zinc/31/63/84/783316384.db2.gz GBQBGABQKCYZMD-UHFFFAOYSA-N 1 0 333.344 2.330 20 5 EEBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000817277774 784655350 /nfs/dbraw/zinc/65/53/50/784655350.db2.gz MLVFVLNKMCUTSM-NEPJUHHUSA-N 1 0 339.367 2.013 20 5 EEBDRO Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997773059 791044022 /nfs/dbraw/zinc/04/40/22/791044022.db2.gz RNCYNVJRFGNDBY-IAGOWNOFSA-N 1 0 349.406 2.128 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000817994898 785111990 /nfs/dbraw/zinc/11/19/90/785111990.db2.gz NZDVHBVNDSBFHS-SECBINFHSA-N 1 0 325.674 2.258 20 5 EEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000818981527 785349009 /nfs/dbraw/zinc/34/90/09/785349009.db2.gz VUXHNQWFELZAMC-HNNXBMFYSA-N 1 0 347.327 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)cc1 ZINC000819042368 785372225 /nfs/dbraw/zinc/37/22/25/785372225.db2.gz MDLQSTPQIDWWDF-MZNJEOGPSA-N 1 0 348.424 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)cc1 ZINC000819160884 785438743 /nfs/dbraw/zinc/43/87/43/785438743.db2.gz LZSJISKOAZTUHW-AWEZNQCLSA-N 1 0 337.763 2.345 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820342679 785879486 /nfs/dbraw/zinc/87/94/86/785879486.db2.gz MXTGRORRZFMLER-NUJGCVRESA-N 1 0 329.400 2.253 20 5 EEBDRO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C[C@@H]2C1 ZINC000821328693 786684890 /nfs/dbraw/zinc/68/48/90/786684890.db2.gz OMSQUPZPMAGHRF-IYBDPMFKSA-N 1 0 347.415 2.292 20 5 EEBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001109604856 805756706 /nfs/dbraw/zinc/75/67/06/805756706.db2.gz BXGDUZAYAKJFFT-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001107565059 787666232 /nfs/dbraw/zinc/66/62/32/787666232.db2.gz MVKIZQNAPJKRPJ-ONEGZZNKSA-N 1 0 346.431 2.472 20 5 EEBDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000823913726 787978081 /nfs/dbraw/zinc/97/80/81/787978081.db2.gz ANHGWCJCUBHXGD-ZDUSSCGKSA-N 1 0 347.419 2.421 20 5 EEBDRO Nc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000824008449 787998341 /nfs/dbraw/zinc/99/83/41/787998341.db2.gz OYPIGDTYXANVJF-UHFFFAOYSA-N 1 0 333.392 2.269 20 5 EEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968274 788003248 /nfs/dbraw/zinc/00/32/48/788003248.db2.gz NPTGZWNMVOBRGT-LLVKDONJSA-N 1 0 335.408 2.371 20 5 EEBDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823988663 788009192 /nfs/dbraw/zinc/00/91/92/788009192.db2.gz ZCYBBYRFBRZKMI-UHFFFAOYSA-N 1 0 335.408 2.421 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000923353022 789432224 /nfs/dbraw/zinc/43/22/24/789432224.db2.gz YVMQXFVHMZMTSW-ROUUACIJSA-N 1 0 345.374 2.414 20 5 EEBDRO O=C(C(F)F)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997451017 789932721 /nfs/dbraw/zinc/93/27/21/789932721.db2.gz LHDMTSIFZOQYMA-UHFFFAOYSA-N 1 0 327.331 2.188 20 5 EEBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000172485107 791698585 /nfs/dbraw/zinc/69/85/85/791698585.db2.gz GIKHKMCMZXYSGL-INIZCTEOSA-N 1 0 329.404 2.462 20 5 EEBDRO COc1cc(C)ccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148456683 792437333 /nfs/dbraw/zinc/43/73/33/792437333.db2.gz YBUKFDFSRYSVSL-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO CC[NH2+]Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641104 794132314 /nfs/dbraw/zinc/13/23/14/794132314.db2.gz KGULHKZJVWOQNY-UHFFFAOYSA-N 1 0 340.181 2.107 20 5 EEBDRO Cc1cc(NCCCNC(=O)CC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001094455515 796265091 /nfs/dbraw/zinc/26/50/91/796265091.db2.gz SYXHASRZSFEKOE-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1cc(Nc2nccnc2C[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001171448937 796431477 /nfs/dbraw/zinc/43/14/77/796431477.db2.gz AENBQKNTQIYEDQ-UHFFFAOYSA-N 1 0 337.343 2.353 20 5 EEBDRO O=C(COc1ccccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171891187 796785602 /nfs/dbraw/zinc/78/56/02/796785602.db2.gz UZKWXHLWCFXNEH-UHFFFAOYSA-N 1 0 343.383 2.270 20 5 EEBDRO CC(=O)N1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172909999 797168703 /nfs/dbraw/zinc/16/87/03/797168703.db2.gz WLJHURAYWLTHSZ-KRWDZBQOSA-N 1 0 331.416 2.396 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3(CO)CCC3)CC2)c(F)c1 ZINC001173008465 797195273 /nfs/dbraw/zinc/19/52/73/797195273.db2.gz AAWDFJWVGMOKTP-UHFFFAOYSA-N 1 0 341.358 2.346 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3COC[C@@H]3F)CC2)c(F)c1 ZINC001173014129 797197062 /nfs/dbraw/zinc/19/70/62/797197062.db2.gz LPALOHNTDMLLKS-KBPBESRZSA-N 1 0 345.321 2.168 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C(N)=O)C(C)(C)C)c1F ZINC001173191941 797282041 /nfs/dbraw/zinc/28/20/41/797282041.db2.gz NWYOINMEEOENLI-YMTOWFKASA-N 1 0 341.383 2.163 20 5 EEBDRO Cc1cc(N2CCCN(C(=O)CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095202336 797508510 /nfs/dbraw/zinc/50/85/10/797508510.db2.gz MNXHTLJCPVZIEO-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000786157396 806700361 /nfs/dbraw/zinc/70/03/61/806700361.db2.gz PHWNYFATPNZSNQ-AWEZNQCLSA-N 1 0 338.404 2.129 20 5 EEBDRO Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001178458793 799484114 /nfs/dbraw/zinc/48/41/14/799484114.db2.gz YJZJFPIQSORCTQ-IAGOWNOFSA-N 1 0 348.447 2.130 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nccs1 ZINC001086231891 802557241 /nfs/dbraw/zinc/55/72/41/802557241.db2.gz HCDIWEIMVPKPSN-BJHJDKERSA-N 1 0 346.412 2.350 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168960713 803549903 /nfs/dbraw/zinc/54/99/03/803549903.db2.gz GOMBDOGLNKFVOG-CHWSQXEVSA-N 1 0 339.436 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169010099 803570856 /nfs/dbraw/zinc/57/08/56/803570856.db2.gz AXYXMXGLZWWNFQ-LJISPDSOSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169012186 803571384 /nfs/dbraw/zinc/57/13/84/803571384.db2.gz OPMUKKRTJOYEBY-IGQOVBAYSA-N 1 0 345.415 2.369 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)C1 ZINC001169027129 803575041 /nfs/dbraw/zinc/57/50/41/803575041.db2.gz ZXGLKZGICUXDOP-DFEOGRTESA-N 1 0 345.443 2.269 20 5 EEBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCCC1 ZINC001169044794 803585925 /nfs/dbraw/zinc/58/59/25/803585925.db2.gz IYOXRSXUWMFMOB-HOCLYGCPSA-N 1 0 338.452 2.092 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001169023497 803590028 /nfs/dbraw/zinc/59/00/28/803590028.db2.gz UYKYOCGHEHMWQI-XLAORIBOSA-N 1 0 338.448 2.482 20 5 EEBDRO O=C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1c1ccsc1 ZINC001169026955 803592506 /nfs/dbraw/zinc/59/25/06/803592506.db2.gz ZJAFVKHNKNKCIC-RJZRQDKASA-N 1 0 335.429 2.373 20 5 EEBDRO Cc1cc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)nc(C)n1 ZINC001169048634 803594708 /nfs/dbraw/zinc/59/47/08/803594708.db2.gz AGBYMBCWANCZLN-ZBFHGGJFSA-N 1 0 333.436 2.097 20 5 EEBDRO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056326 803597608 /nfs/dbraw/zinc/59/76/08/803597608.db2.gz RSYLGWKWUZRIDF-MGPQQGTHSA-N 1 0 347.390 2.301 20 5 EEBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncccc1F ZINC001169159395 803640983 /nfs/dbraw/zinc/64/09/83/803640983.db2.gz JSFDRFMLPFKVMV-UHFFFAOYSA-N 1 0 338.364 2.100 20 5 EEBDRO COc1nc(SC)nc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169794633 804075744 /nfs/dbraw/zinc/07/57/44/804075744.db2.gz SKXDSPLETGYIJT-UHFFFAOYSA-N 1 0 339.421 2.013 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnoc1C1CC1 ZINC001169987300 805125744 /nfs/dbraw/zinc/12/57/44/805125744.db2.gz DINJLEHNAHBZLE-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cc1cc(NCCCN(C)C(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001109454777 805492060 /nfs/dbraw/zinc/49/20/60/805492060.db2.gz RMKNEUKZGBYDQB-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170277107 809875628 /nfs/dbraw/zinc/87/56/28/809875628.db2.gz MQQHCLBJOVURHP-OAGGEKHMSA-N 1 0 339.392 2.130 20 5 EEBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170330102 809894798 /nfs/dbraw/zinc/89/47/98/809894798.db2.gz YTAZASARYLFJAN-GXTWGEPZSA-N 1 0 336.388 2.419 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000804400064 810852380 /nfs/dbraw/zinc/85/23/80/810852380.db2.gz MPDKSJGORBSSCC-ZDUSSCGKSA-N 1 0 335.404 2.468 20 5 EEBDRO Cn1cc(Cl)cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131075701 812374151 /nfs/dbraw/zinc/37/41/51/812374151.db2.gz UGPORKCVFCRVQJ-UHFFFAOYSA-N 1 0 342.808 2.168 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000808191168 812505788 /nfs/dbraw/zinc/50/57/88/812505788.db2.gz MIOVTSXYAYXHPO-TZMCWYRMSA-N 1 0 346.387 2.019 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC001131352803 812713612 /nfs/dbraw/zinc/71/36/12/812713612.db2.gz HXQXMHCAXZLDQV-UHFFFAOYSA-N 1 0 346.412 2.060 20 5 EEBDRO Cc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170572776 813014436 /nfs/dbraw/zinc/01/44/36/813014436.db2.gz SBWKAQJCJPSCPN-DOMZBBRYSA-N 1 0 343.387 2.149 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175089377 231382111 /nfs/dbraw/zinc/38/21/11/231382111.db2.gz YDPXBPGQEHXEHZ-QWHCGFSZSA-N 1 0 341.433 2.054 20 5 EEBDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189672705 529561790 /nfs/dbraw/zinc/56/17/90/529561790.db2.gz IUSFPKDQBICPKA-HNNXBMFYSA-N 1 0 341.795 2.424 20 5 EEBDRO C[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174020150 530050035 /nfs/dbraw/zinc/05/00/35/530050035.db2.gz ZAUWVHLFLUJQLK-UHFFFAOYSA-N 1 0 341.795 2.228 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000069035978 215354115 /nfs/dbraw/zinc/35/41/15/215354115.db2.gz IMSXPAHIKVOZJA-GFCCVEGCSA-N 1 0 345.403 2.321 20 5 EEBDRO CC[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000725263747 539991838 /nfs/dbraw/zinc/99/18/38/539991838.db2.gz FPLKOVUEKFFOCO-UHFFFAOYSA-N 1 0 328.210 2.495 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420608738 283386774 /nfs/dbraw/zinc/38/67/74/283386774.db2.gz IZPINOGGSHTSQB-DOMZBBRYSA-N 1 0 344.415 2.147 20 5 EEBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000131255098 223216962 /nfs/dbraw/zinc/21/69/62/223216962.db2.gz SCKNLCXFDDMZAA-PHIMTYICSA-N 1 0 326.194 2.009 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131425605 223232502 /nfs/dbraw/zinc/23/25/02/223232502.db2.gz DWEUTSLRWBZWID-QGZVFWFLSA-N 1 0 333.388 2.257 20 5 EEBDRO CCCN1C[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000421878978 240041334 /nfs/dbraw/zinc/04/13/34/240041334.db2.gz MRYATLDJKQCIKC-SOUVJXGZSA-N 1 0 349.435 2.123 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000193321202 240107737 /nfs/dbraw/zinc/10/77/37/240107737.db2.gz LOUDCLHPFSTBQQ-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000193498453 240191264 /nfs/dbraw/zinc/19/12/64/240191264.db2.gz DRVOQZYDNNMAJS-DOMZBBRYSA-N 1 0 332.404 2.065 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1C ZINC000236721263 242333131 /nfs/dbraw/zinc/33/31/31/242333131.db2.gz GUHWJORMMMJBIE-HNNXBMFYSA-N 1 0 343.449 2.253 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1C ZINC000236799348 242362006 /nfs/dbraw/zinc/36/20/06/242362006.db2.gz OVMSUNFHITZLSF-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449585026 242567783 /nfs/dbraw/zinc/56/77/83/242567783.db2.gz KMGAKSZZZJKQJD-CHWSQXEVSA-N 1 0 345.403 2.266 20 5 EEBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449598658 242571790 /nfs/dbraw/zinc/57/17/90/242571790.db2.gz COTGSEDKPVLKOE-LLVKDONJSA-N 1 0 347.371 2.478 20 5 EEBDRO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548022 243153229 /nfs/dbraw/zinc/15/32/29/243153229.db2.gz LZTKYEONPSBXAL-DOTOQJQBSA-N 1 0 333.432 2.495 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592683 243170410 /nfs/dbraw/zinc/17/04/10/243170410.db2.gz AFHMDVKOPCNKPG-KDOFPFPSSA-N 1 0 347.415 2.228 20 5 EEBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451908947 243307151 /nfs/dbraw/zinc/30/71/51/243307151.db2.gz NJLQQCAWEFSXJR-UHFFFAOYSA-N 1 0 343.449 2.302 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000265128130 247229018 /nfs/dbraw/zinc/22/90/18/247229018.db2.gz MAMSAOBWOJZLQU-HZPDHXFCSA-N 1 0 333.388 2.485 20 5 EEBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523248 248343492 /nfs/dbraw/zinc/34/34/92/248343492.db2.gz CWJMEYAYWUOKLO-DOTOQJQBSA-N 1 0 330.388 2.298 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000266540495 248351999 /nfs/dbraw/zinc/35/19/99/248351999.db2.gz GUFZDRORXJYZPX-HOTGVXAUSA-N 1 0 334.351 2.128 20 5 EEBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361570475 285075832 /nfs/dbraw/zinc/07/58/32/285075832.db2.gz WOOAZYHFZQQOOY-NWDGAFQWSA-N 1 0 339.392 2.287 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000359456334 285106882 /nfs/dbraw/zinc/10/68/82/285106882.db2.gz SXANEKJQOCFGFR-CQSZACIVSA-N 1 0 329.360 2.319 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000154162697 533139010 /nfs/dbraw/zinc/13/90/10/533139010.db2.gz HTOLQWSWLZSTKE-UHFFFAOYSA-N 1 0 349.387 2.187 20 5 EEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000117741644 221085767 /nfs/dbraw/zinc/08/57/67/221085767.db2.gz FWZZWYXYXZKNEV-UHFFFAOYSA-N 1 0 325.796 2.343 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270484133 256140126 /nfs/dbraw/zinc/14/01/26/256140126.db2.gz IUASDGRARHRSCE-RDJZCZTQSA-N 1 0 346.431 2.406 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268140439 256118407 /nfs/dbraw/zinc/11/84/07/256118407.db2.gz KEKSSDATBGCSBG-MFKMUULPSA-N 1 0 334.376 2.061 20 5 EEBDRO CN(CC[NH+](C)C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273288385 256284509 /nfs/dbraw/zinc/28/45/09/256284509.db2.gz WYMYLRWKBLFWJM-UHFFFAOYSA-N 1 0 331.825 2.360 20 5 EEBDRO CC1(C)CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000273353812 256289169 /nfs/dbraw/zinc/28/91/69/256289169.db2.gz NJKREZNNKMKJBY-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273640572 256314367 /nfs/dbraw/zinc/31/43/67/256314367.db2.gz SBALGXNRDDJIID-CQSZACIVSA-N 1 0 342.403 2.007 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCOC2=O)cc1 ZINC000181267285 533406476 /nfs/dbraw/zinc/40/64/76/533406476.db2.gz LKPRMNLKXLWTOU-GFCCVEGCSA-N 1 0 345.359 2.099 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153903486 140834501 /nfs/dbraw/zinc/83/45/01/140834501.db2.gz CDWXWLBLOIYIKM-QGZVFWFLSA-N 1 0 349.387 2.044 20 5 EEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000165972222 143821023 /nfs/dbraw/zinc/82/10/23/143821023.db2.gz RQMNKLQVZJQHQN-PRHODGIISA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1c(NC(=O)CCN(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000089898745 292213851 /nfs/dbraw/zinc/21/38/51/292213851.db2.gz LIOIGGJDBNLGHT-UHFFFAOYSA-N 1 0 334.420 2.259 20 5 EEBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173053795 152140842 /nfs/dbraw/zinc/14/08/42/152140842.db2.gz TVFGIGWISDPNON-ZDUSSCGKSA-N 1 0 336.436 2.489 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262580757 152294288 /nfs/dbraw/zinc/29/42/88/152294288.db2.gz OKKRXCRTVPBYJA-MNOVXSKESA-N 1 0 341.795 2.083 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000357663380 153273502 /nfs/dbraw/zinc/27/35/02/153273502.db2.gz KMLADAXEKXVRHL-LBPRGKRZSA-N 1 0 338.408 2.131 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000261648999 160404834 /nfs/dbraw/zinc/40/48/34/160404834.db2.gz FNCXNRYRXOCHSB-VIFPVBQESA-N 1 0 332.385 2.428 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000068660691 159021438 /nfs/dbraw/zinc/02/14/38/159021438.db2.gz RUKVEWZODRNHKW-UHFFFAOYSA-N 1 0 345.403 2.262 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000069045616 159024671 /nfs/dbraw/zinc/02/46/71/159024671.db2.gz NBSWKRTYCZTGSV-AWEZNQCLSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000237730466 160224564 /nfs/dbraw/zinc/22/45/64/160224564.db2.gz RFPPINLHUOXRSP-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000246234431 160269405 /nfs/dbraw/zinc/26/94/05/160269405.db2.gz QQIDIFDZFZOUME-WDEREUQCSA-N 1 0 347.375 2.020 20 5 EEBDRO CSC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247297485 160318404 /nfs/dbraw/zinc/31/84/04/160318404.db2.gz UNFSNPKCXPHGKZ-ZIAGYGMSSA-N 1 0 326.418 2.162 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000339860007 160876885 /nfs/dbraw/zinc/87/68/85/160876885.db2.gz QYMAXUWFFUGDIB-ZIAGYGMSSA-N 1 0 348.403 2.029 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000342358451 161059075 /nfs/dbraw/zinc/05/90/75/161059075.db2.gz PDKQHLLJWQMZPA-UHFFFAOYSA-N 1 0 338.360 2.297 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342761917 161088542 /nfs/dbraw/zinc/08/85/42/161088542.db2.gz UAORBGJDKMUZBZ-TUKIKUTGSA-N 1 0 335.429 2.273 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343446093 161136747 /nfs/dbraw/zinc/13/67/47/161136747.db2.gz LUXCDTFLHCPJHH-FZMZJTMJSA-N 1 0 332.404 2.382 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344722178 161239570 /nfs/dbraw/zinc/23/95/70/161239570.db2.gz JEYADLYDFZOOAZ-LBPRGKRZSA-N 1 0 349.435 2.217 20 5 EEBDRO COCC(=O)N1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344789412 161246074 /nfs/dbraw/zinc/24/60/74/161246074.db2.gz HKKRDJXVTKLIIS-UVTDQMKNSA-N 1 0 347.415 2.225 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000345196435 161280781 /nfs/dbraw/zinc/28/07/81/161280781.db2.gz ABJAHEPBVJWBRS-UHFFFAOYSA-N 1 0 344.371 2.111 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000345854287 161337585 /nfs/dbraw/zinc/33/75/85/161337585.db2.gz MXFBCZGFNKVLSQ-NEPJUHHUSA-N 1 0 343.330 2.201 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000352807212 162296157 /nfs/dbraw/zinc/29/61/57/162296157.db2.gz WQMIDUYOIBAJMO-ZWNOBZJWSA-N 1 0 339.417 2.273 20 5 EEBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+](C)C ZINC000355729061 163283317 /nfs/dbraw/zinc/28/33/17/163283317.db2.gz FMWOHEXCVNSBSD-AWEZNQCLSA-N 1 0 348.447 2.125 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000356210657 163367168 /nfs/dbraw/zinc/36/71/68/163367168.db2.gz DPOAHJGCSBGXSC-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367869990 166013029 /nfs/dbraw/zinc/01/30/29/166013029.db2.gz YSWMGODTZZAHRK-ZFWWWQNUSA-N 1 0 332.404 2.092 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358415892 163903769 /nfs/dbraw/zinc/90/37/69/163903769.db2.gz SSKDFJOXUBUKNJ-CYBMUJFWSA-N 1 0 337.395 2.467 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359039080 164043501 /nfs/dbraw/zinc/04/35/01/164043501.db2.gz ILKDRALIRGXYDD-CQSZACIVSA-N 1 0 331.376 2.219 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000359051456 164046959 /nfs/dbraw/zinc/04/69/59/164046959.db2.gz FCTZGUDKLYMYBH-AWEZNQCLSA-N 1 0 334.420 2.306 20 5 EEBDRO O=C(c1ccc2c[nH+]cn2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359640944 164143690 /nfs/dbraw/zinc/14/36/90/164143690.db2.gz UOXANQLZKIXIMD-UHFFFAOYSA-N 1 0 338.323 2.277 20 5 EEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000360452771 164313820 /nfs/dbraw/zinc/31/38/20/164313820.db2.gz XIITYYQWJUYCAI-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000360667399 164360850 /nfs/dbraw/zinc/36/08/50/164360850.db2.gz XCMPHAIJDZSNMN-NXEZZACHSA-N 1 0 347.824 2.009 20 5 EEBDRO Cc1cc(C(=O)NCCc2cn3c(n2)CCCC3)cc([N+](=O)[O-])c1 ZINC000368788223 166127808 /nfs/dbraw/zinc/12/78/08/166127808.db2.gz MTMCVQIBSZEQFG-UHFFFAOYSA-N 1 0 328.372 2.409 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000369025778 166172318 /nfs/dbraw/zinc/17/23/18/166172318.db2.gz FQYBARQNIXUVDY-JKSUJKDBSA-N 1 0 339.823 2.279 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375965269 167236324 /nfs/dbraw/zinc/23/63/24/167236324.db2.gz QGCIHMRGKUHRBN-MRXNPFEDSA-N 1 0 341.367 2.220 20 5 EEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000271664808 268849775 /nfs/dbraw/zinc/84/97/75/268849775.db2.gz HSAWLHQGANPRBN-GFCCVEGCSA-N 1 0 349.412 2.136 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000277631910 269165536 /nfs/dbraw/zinc/16/55/36/269165536.db2.gz SFUAGDSSNBDNTP-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO CCOc1cccc(N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000184129912 273708981 /nfs/dbraw/zinc/70/89/81/273708981.db2.gz IBHRWKJNCGZKAN-UHFFFAOYSA-N 1 0 335.404 2.295 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269892893 274119111 /nfs/dbraw/zinc/11/91/11/274119111.db2.gz BXYADEIUFGTYDB-AEAUEXCSSA-N 1 0 345.399 2.469 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272600414 274176954 /nfs/dbraw/zinc/17/69/54/274176954.db2.gz YLTXODAJMGBIEP-SMDDNHRTSA-N 1 0 339.342 2.239 20 5 EEBDRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000272795986 274182914 /nfs/dbraw/zinc/18/29/14/274182914.db2.gz GYNFRDBNVNSGMK-STQMWFEESA-N 1 0 334.376 2.352 20 5 EEBDRO COc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278563525 274373878 /nfs/dbraw/zinc/37/38/78/274373878.db2.gz QSMDBOLETPUHES-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278565191 274374157 /nfs/dbraw/zinc/37/41/57/274374157.db2.gz BKEUSSGKUFQVHT-UHFFFAOYSA-N 1 0 349.391 2.476 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+]1CCCCC1 ZINC000279229966 274456643 /nfs/dbraw/zinc/45/66/43/274456643.db2.gz OSRCOBXAWWHWOR-LLVKDONJSA-N 1 0 338.383 2.168 20 5 EEBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000130484657 274511778 /nfs/dbraw/zinc/51/17/78/274511778.db2.gz LZFWJOGPHVBHDM-WDEREUQCSA-N 1 0 325.340 2.077 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000286502728 274878622 /nfs/dbraw/zinc/87/86/22/274878622.db2.gz WDMWNMOFXCFCBS-UHFFFAOYSA-N 1 0 334.376 2.063 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000286612604 274889380 /nfs/dbraw/zinc/88/93/80/274889380.db2.gz YMVKJJFBEBYCLW-UHFFFAOYSA-N 1 0 341.358 2.170 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286904998 274917583 /nfs/dbraw/zinc/91/75/83/274917583.db2.gz COFRYQOXINUJIL-WFASDCNBSA-N 1 0 333.388 2.302 20 5 EEBDRO NC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150889461 274940583 /nfs/dbraw/zinc/94/05/83/274940583.db2.gz NDNWBBNPHUXQAH-CQSZACIVSA-N 1 0 332.404 2.148 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000287984627 275012295 /nfs/dbraw/zinc/01/22/95/275012295.db2.gz ARYVVHUMRTYEON-LBPRGKRZSA-N 1 0 331.376 2.164 20 5 EEBDRO O=[N+]([O-])c1c(NC[C@@H](O)C[NH+]2CCCCC2)ccc2ncccc21 ZINC000112074295 275032777 /nfs/dbraw/zinc/03/27/77/275032777.db2.gz YWDFREMDXTZGAA-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000288276852 275041714 /nfs/dbraw/zinc/04/17/14/275041714.db2.gz QXDPEGVJQPSBNW-YPMHNXCESA-N 1 0 328.376 2.042 20 5 EEBDRO Cc1cnn([C@H]2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289756388 275145901 /nfs/dbraw/zinc/14/59/01/275145901.db2.gz FRHFTERESUPDJP-KGLIPLIRSA-N 1 0 343.387 2.374 20 5 EEBDRO [NH3+]CCN(Cc1nccn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000289930394 275162695 /nfs/dbraw/zinc/16/26/95/275162695.db2.gz WKCMLDIOARRKCJ-UHFFFAOYSA-N 1 0 343.309 2.319 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000290563878 275218481 /nfs/dbraw/zinc/21/84/81/275218481.db2.gz KGYGDBRWDYEDRP-SNVBAGLBSA-N 1 0 326.372 2.166 20 5 EEBDRO C[N@H+](C[C@H](O)COc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000290805353 275241758 /nfs/dbraw/zinc/24/17/58/275241758.db2.gz QKIJCJTVAAFXQQ-JTQLQIEISA-N 1 0 345.193 2.191 20 5 EEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236799579 275673558 /nfs/dbraw/zinc/67/35/58/275673558.db2.gz IIZXIKLYKNYFBL-NSHDSACASA-N 1 0 349.840 2.242 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000420286931 278479944 /nfs/dbraw/zinc/47/99/44/278479944.db2.gz HBLDEVNZPDCQHI-QMTHXVAHSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362843914 288084362 /nfs/dbraw/zinc/08/43/62/288084362.db2.gz SJPIIVWFBNCZCG-DIOULYMOSA-N 1 0 335.429 2.367 20 5 EEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181317492 279282919 /nfs/dbraw/zinc/28/29/19/279282919.db2.gz GSYNTTVODYXZSW-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCC1 ZINC000293856249 293311288 /nfs/dbraw/zinc/31/12/88/293311288.db2.gz GPLCDRPNIKKMRL-UHFFFAOYSA-N 1 0 335.404 2.356 20 5 EEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000294210478 293396011 /nfs/dbraw/zinc/39/60/11/293396011.db2.gz IRRHFUYBCJEFKC-UHFFFAOYSA-N 1 0 343.387 2.151 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296938586 294107501 /nfs/dbraw/zinc/10/75/01/294107501.db2.gz IVYSEZLHDPAPIW-GOOCMWNKSA-N 1 0 347.415 2.414 20 5 EEBDRO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000340157335 299923148 /nfs/dbraw/zinc/92/31/48/299923148.db2.gz ROYGLANWRPTXLS-XJKSGUPXSA-N 1 0 334.420 2.373 20 5 EEBDRO [NH3+]CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000310594477 303376421 /nfs/dbraw/zinc/37/64/21/303376421.db2.gz OAHDTBUOMGXHTL-UHFFFAOYSA-N 1 0 342.399 2.384 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCO[C@H]2CCOC2)n1 ZINC000351503194 304811584 /nfs/dbraw/zinc/81/15/84/304811584.db2.gz PFNULBFQGNPPKF-SOUVJXGZSA-N 1 0 338.408 2.060 20 5 EEBDRO COc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000159170041 311337715 /nfs/dbraw/zinc/33/77/15/311337715.db2.gz OIKGGWKIAMMELT-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159859843 311347583 /nfs/dbraw/zinc/34/75/83/311347583.db2.gz KQOBHLSHKUVHIY-OCCSQVGLSA-N 1 0 325.434 2.363 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412021354 312599126 /nfs/dbraw/zinc/59/91/26/312599126.db2.gz MFFOMQLKNSBKKY-NSHDSACASA-N 1 0 337.376 2.089 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415502696 313134838 /nfs/dbraw/zinc/13/48/38/313134838.db2.gz NLQBJXIFDARACT-CVEARBPZSA-N 1 0 348.403 2.345 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415509916 313137254 /nfs/dbraw/zinc/13/72/54/313137254.db2.gz XUCHACQVGPBFEY-GXTWGEPZSA-N 1 0 334.376 2.113 20 5 EEBDRO COc1ccc(CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417186993 313443953 /nfs/dbraw/zinc/44/39/53/313443953.db2.gz GBYCJCRUZUNTJW-AAEUAGOBSA-N 1 0 336.392 2.015 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417936327 313657885 /nfs/dbraw/zinc/65/78/85/313657885.db2.gz HHYVHVYMXXDARP-UHFFFAOYSA-N 1 0 334.420 2.168 20 5 EEBDRO COC1([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000421030395 314031050 /nfs/dbraw/zinc/03/10/50/314031050.db2.gz JLXLOKKXJFBOLO-NSHDSACASA-N 1 0 334.376 2.145 20 5 EEBDRO COC1([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000421030393 314031641 /nfs/dbraw/zinc/03/16/41/314031641.db2.gz JLXLOKKXJFBOLO-LLVKDONJSA-N 1 0 334.376 2.145 20 5 EEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421361020 314091623 /nfs/dbraw/zinc/09/16/23/314091623.db2.gz KBENYQKMMAYAAI-UONOGXRCSA-N 1 0 344.415 2.446 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000421781638 314163298 /nfs/dbraw/zinc/16/32/98/314163298.db2.gz AZMPGRRUBYYKLS-OAHLLOKOSA-N 1 0 349.431 2.178 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000430209228 314504531 /nfs/dbraw/zinc/50/45/31/314504531.db2.gz QQCHRUQPYIGOBJ-DOTOQJQBSA-N 1 0 346.387 2.265 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000430216499 314505520 /nfs/dbraw/zinc/50/55/20/314505520.db2.gz FFTBFNKLNRQMCI-ZFWWWQNUSA-N 1 0 325.434 2.081 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445173302 315349704 /nfs/dbraw/zinc/34/97/04/315349704.db2.gz NYRLXFOGLDQRNW-SCRDCRAPSA-N 1 0 348.403 2.173 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449195225 315430394 /nfs/dbraw/zinc/43/03/94/315430394.db2.gz QEWZEKPLZVUSCD-GOSISDBHSA-N 1 0 325.368 2.142 20 5 EEBDRO CCCC[C@@H](C(=O)OC)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000524069940 317006809 /nfs/dbraw/zinc/00/68/09/317006809.db2.gz JEZQCHDSAKXABG-INIZCTEOSA-N 1 0 335.404 2.449 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)COC ZINC000535063858 317961692 /nfs/dbraw/zinc/96/16/92/317961692.db2.gz JQTBRLZXJOALCJ-DOMZBBRYSA-N 1 0 328.434 2.453 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000536833383 318010870 /nfs/dbraw/zinc/01/08/70/318010870.db2.gz NNGJQFLXTJGILV-MNOVXSKESA-N 1 0 330.406 2.077 20 5 EEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000544417289 318187328 /nfs/dbraw/zinc/18/73/28/318187328.db2.gz SCBSHYVVKBQTJU-RISCZKNCSA-N 1 0 339.392 2.191 20 5 EEBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548417265 318387278 /nfs/dbraw/zinc/38/72/78/318387278.db2.gz NUQNBXSFZKWENT-UHFFFAOYSA-N 1 0 329.360 2.209 20 5 EEBDRO COc1ccc(CC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000564835704 319115652 /nfs/dbraw/zinc/11/56/52/319115652.db2.gz ULYFUGUPAWSEFZ-OAHLLOKOSA-N 1 0 335.404 2.040 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000565245862 319165953 /nfs/dbraw/zinc/16/59/53/319165953.db2.gz NEXIZAFMNONPPM-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000578375793 320310891 /nfs/dbraw/zinc/31/08/91/320310891.db2.gz HPKSWLQLDIGCDU-UONOGXRCSA-N 1 0 332.404 2.010 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295923271 465006811 /nfs/dbraw/zinc/00/68/11/465006811.db2.gz FLXALAMWBYMGNX-KGLIPLIRSA-N 1 0 334.420 2.338 20 5 EEBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296036336 465059638 /nfs/dbraw/zinc/05/96/38/465059638.db2.gz FBIFNVCIUXELDF-WMLDXEAASA-N 1 0 335.404 2.351 20 5 EEBDRO CO[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000296079910 465074288 /nfs/dbraw/zinc/07/42/88/465074288.db2.gz PWPAZEJWGGHKNH-INIZCTEOSA-N 1 0 347.415 2.231 20 5 EEBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000347688329 465169784 /nfs/dbraw/zinc/16/97/84/465169784.db2.gz VAPYDIMUHJFIKU-OCCSQVGLSA-N 1 0 347.371 2.089 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341589839 465246448 /nfs/dbraw/zinc/24/64/48/465246448.db2.gz HVLVUTWTUDHQGK-UHFFFAOYSA-N 1 0 334.420 2.252 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000358710694 465278287 /nfs/dbraw/zinc/27/82/87/465278287.db2.gz BOAHEULJJJBTSW-UHFFFAOYSA-N 1 0 329.347 2.423 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000341951595 465278318 /nfs/dbraw/zinc/27/83/18/465278318.db2.gz VORCAODOJPUNFH-LBPRGKRZSA-N 1 0 343.449 2.302 20 5 EEBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000590568163 468275079 /nfs/dbraw/zinc/27/50/79/468275079.db2.gz BGWUFFBCLQYCHJ-UHFFFAOYSA-N 1 0 340.399 2.324 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000590670995 468300063 /nfs/dbraw/zinc/30/00/63/468300063.db2.gz PPEOPBOKKWWERW-UHFFFAOYSA-N 1 0 345.403 2.399 20 5 EEBDRO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000060380202 462545222 /nfs/dbraw/zinc/54/52/22/462545222.db2.gz WAMQWUHNIQZMIW-CQSZACIVSA-N 1 0 348.447 2.483 20 5 EEBDRO Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739825 462629276 /nfs/dbraw/zinc/62/92/76/462629276.db2.gz MQCQLXIRYHLKJC-MRXNPFEDSA-N 1 0 342.399 2.129 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCCOC1 ZINC000128587739 462655826 /nfs/dbraw/zinc/65/58/26/462655826.db2.gz CIEDDGRZQFRDOH-GFCCVEGCSA-N 1 0 339.367 2.421 20 5 EEBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000154013661 462720220 /nfs/dbraw/zinc/72/02/20/462720220.db2.gz RQKFDYDTVCSBHK-CVEARBPZSA-N 1 0 347.415 2.473 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000090552105 462797818 /nfs/dbraw/zinc/79/78/18/462797818.db2.gz FAOVLSVTXUQIBO-CQSZACIVSA-N 1 0 331.347 2.385 20 5 EEBDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344438 462876786 /nfs/dbraw/zinc/87/67/86/462876786.db2.gz UXFCQHPAEAYNEW-WMLDXEAASA-N 1 0 348.447 2.188 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119280504 462886009 /nfs/dbraw/zinc/88/60/09/462886009.db2.gz RKBWMEJBDSXXRE-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO CC(C)(C)Oc1cc(N2CCC[N@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000133505612 462940710 /nfs/dbraw/zinc/94/07/10/462940710.db2.gz KUIKVBXCOODXJO-UHFFFAOYSA-N 1 0 337.420 2.277 20 5 EEBDRO CC(C)CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119970356 462947204 /nfs/dbraw/zinc/94/72/04/462947204.db2.gz JYSRCWFBDYTIGE-DOTOQJQBSA-N 1 0 338.404 2.081 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000077216105 462954514 /nfs/dbraw/zinc/95/45/14/462954514.db2.gz ISKXGGIJBYNFKV-LLVKDONJSA-N 1 0 339.367 2.441 20 5 EEBDRO CC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000067373325 462998411 /nfs/dbraw/zinc/99/84/11/462998411.db2.gz OLSLIXPGSZFGTP-OAHLLOKOSA-N 1 0 335.404 2.302 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000050993940 463014589 /nfs/dbraw/zinc/01/45/89/463014589.db2.gz XQMDUVYHQFWCNM-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO CCCC[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000156578829 463043372 /nfs/dbraw/zinc/04/33/72/463043372.db2.gz FBEUICFCHUAKGR-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO O=[N+]([O-])c1cccnc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000024108010 463079770 /nfs/dbraw/zinc/07/97/70/463079770.db2.gz YMOFDPSWCJOJMY-UHFFFAOYSA-N 1 0 341.415 2.220 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078559624 463128540 /nfs/dbraw/zinc/12/85/40/463128540.db2.gz DBFAQBNJFKXJQP-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000025942885 463145640 /nfs/dbraw/zinc/14/56/40/463145640.db2.gz SFBBJAHRXNNAJQ-ZDUSSCGKSA-N 1 0 342.399 2.110 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026156531 463153467 /nfs/dbraw/zinc/15/34/67/463153467.db2.gz RTBLVMAEAPPRIL-TXEJJXNPSA-N 1 0 337.376 2.041 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712121 463169114 /nfs/dbraw/zinc/16/91/14/463169114.db2.gz FUHUAAOCLMQNHI-INIZCTEOSA-N 1 0 346.383 2.475 20 5 EEBDRO NC(=O)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000121646415 463172113 /nfs/dbraw/zinc/17/21/13/463172113.db2.gz JLSWTYJURBFBNM-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000157959259 463189723 /nfs/dbraw/zinc/18/97/23/463189723.db2.gz RWFLBNGSVCGMII-SECBINFHSA-N 1 0 347.293 2.099 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000158063563 463201935 /nfs/dbraw/zinc/20/19/35/463201935.db2.gz UGDCTXVLLGSRTG-ZDUSSCGKSA-N 1 0 337.395 2.467 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069111001 463208718 /nfs/dbraw/zinc/20/87/18/463208718.db2.gz SJGWFACZHNAEBR-ZDUSSCGKSA-N 1 0 338.408 2.003 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000069129203 463210912 /nfs/dbraw/zinc/21/09/12/463210912.db2.gz NSDOAHKSUWMLDU-VIFPVBQESA-N 1 0 347.824 2.009 20 5 EEBDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000158229786 463218041 /nfs/dbraw/zinc/21/80/41/463218041.db2.gz TTZKSGVYKFBXSZ-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069848611 463339247 /nfs/dbraw/zinc/33/92/47/463339247.db2.gz MIQZSAQWPUTIRC-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463964 463378609 /nfs/dbraw/zinc/37/86/09/463378609.db2.gz AQRFOOIVGKQNAA-UHFFFAOYSA-N 1 0 342.399 2.459 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071892873 463458599 /nfs/dbraw/zinc/45/85/99/463458599.db2.gz GIGJVECCEPVZRZ-KRWDZBQOSA-N 1 0 332.448 2.197 20 5 EEBDRO C[C@H]1C[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126025043 463598814 /nfs/dbraw/zinc/59/88/14/463598814.db2.gz ZZYJFPRGMYSVRD-JTQLQIEISA-N 1 0 332.385 2.152 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000043893252 463661749 /nfs/dbraw/zinc/66/17/49/463661749.db2.gz HDXMKYNRVFMFIV-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO C[C@@H](C[S@@](C)=O)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118521 463754959 /nfs/dbraw/zinc/75/49/59/463754959.db2.gz JDBVBVGJLRGEIV-BSNNYGBQSA-N 1 0 337.401 2.449 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261689351 463829024 /nfs/dbraw/zinc/82/90/24/463829024.db2.gz DVDMIAMEPQHOLZ-UHFFFAOYSA-N 1 0 344.415 2.385 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000261818980 463869287 /nfs/dbraw/zinc/86/92/87/463869287.db2.gz HEIUKZYTTRRYRX-VIFPVBQESA-N 1 0 332.385 2.428 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000269348236 463960906 /nfs/dbraw/zinc/96/09/06/463960906.db2.gz FQXYWVQTZHEJOG-UHFFFAOYSA-N 1 0 337.424 2.386 20 5 EEBDRO Cc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000172015720 463969648 /nfs/dbraw/zinc/96/96/48/463969648.db2.gz RTHWBBCVZXAHRY-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCC[NH+]1CCCC1 ZINC000195038604 463979961 /nfs/dbraw/zinc/97/99/61/463979961.db2.gz KZVORYALTNCUFZ-UHFFFAOYSA-N 1 0 348.428 2.420 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269531760 464011043 /nfs/dbraw/zinc/01/10/43/464011043.db2.gz SIXJMAJMUFCZOT-GFCCVEGCSA-N 1 0 337.424 2.149 20 5 EEBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262398481 464019028 /nfs/dbraw/zinc/01/90/28/464019028.db2.gz QTEQFDNSODFHRT-UHFFFAOYSA-N 1 0 342.399 2.384 20 5 EEBDRO CC1(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000269657048 464050203 /nfs/dbraw/zinc/05/02/03/464050203.db2.gz OZHHFUKAYYZVNB-MRXNPFEDSA-N 1 0 336.388 2.103 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000279490957 464111873 /nfs/dbraw/zinc/11/18/73/464111873.db2.gz UXATYBILGNWMTE-CMPLNLGQSA-N 1 0 338.360 2.043 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270057369 464173539 /nfs/dbraw/zinc/17/35/39/464173539.db2.gz GMWAECIGTBDYSH-CJNGLKHVSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270083909 464181569 /nfs/dbraw/zinc/18/15/69/464181569.db2.gz IZVMFCBYTGLVDB-HNNXBMFYSA-N 1 0 347.415 2.407 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000284458761 464200128 /nfs/dbraw/zinc/20/01/28/464200128.db2.gz RTOYBXYSNZNQAU-IAQYHMDHSA-N 1 0 333.388 2.206 20 5 EEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270242429 464231223 /nfs/dbraw/zinc/23/12/23/464231223.db2.gz PEVKDBULQGURBO-HNNXBMFYSA-N 1 0 347.415 2.164 20 5 EEBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000280754458 464245944 /nfs/dbraw/zinc/24/59/44/464245944.db2.gz BZYYTOKCOQTDTR-OAHLLOKOSA-N 1 0 343.330 2.154 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270532738 464259639 /nfs/dbraw/zinc/25/96/39/464259639.db2.gz VQANDKJFEVIVOQ-CHWSQXEVSA-N 1 0 343.836 2.366 20 5 EEBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000188375103 464266789 /nfs/dbraw/zinc/26/67/89/464266789.db2.gz CTPAGAJNJBPHHF-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270940662 464272078 /nfs/dbraw/zinc/27/20/78/464272078.db2.gz JRQKKSFAYGUVSF-SECBINFHSA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237417141 464316279 /nfs/dbraw/zinc/31/62/79/464316279.db2.gz HZVRWWNYMMSPRT-TZMCWYRMSA-N 1 0 332.404 2.147 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000237751592 464374865 /nfs/dbraw/zinc/37/48/65/464374865.db2.gz TXWZMRSVTXYCLM-ZDUSSCGKSA-N 1 0 341.433 2.089 20 5 EEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174314528 464392101 /nfs/dbraw/zinc/39/21/01/464392101.db2.gz CPWCFWWKWNTUPA-CHWSQXEVSA-N 1 0 341.433 2.041 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237894724 464399034 /nfs/dbraw/zinc/39/90/34/464399034.db2.gz UKHYSSDIQDPJAH-KBPBESRZSA-N 1 0 343.387 2.028 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000294391876 464487267 /nfs/dbraw/zinc/48/72/67/464487267.db2.gz DFIDAARWHOVSMI-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181629457 464515952 /nfs/dbraw/zinc/51/59/52/464515952.db2.gz VRNNLPOAHXRTFZ-AAEUAGOBSA-N 1 0 349.435 2.020 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000281751607 464572106 /nfs/dbraw/zinc/57/21/06/464572106.db2.gz YPSYHJRBBWXNNW-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000272487228 464629067 /nfs/dbraw/zinc/62/90/67/464629067.db2.gz MRRDJBIJEWPWTB-ABAIWWIYSA-N 1 0 328.372 2.242 20 5 EEBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000272546465 464655683 /nfs/dbraw/zinc/65/56/83/464655683.db2.gz KCOGUBWEMGQJOE-TZMCWYRMSA-N 1 0 331.372 2.495 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000591144269 468415127 /nfs/dbraw/zinc/41/51/27/468415127.db2.gz DPRMRHNQWCOHOP-SJORKVTESA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000286205630 464838560 /nfs/dbraw/zinc/83/85/60/464838560.db2.gz YDQQCDQFBZFBLM-SQNIBIBYSA-N 1 0 342.399 2.296 20 5 EEBDRO CC(=O)c1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000286204033 464839025 /nfs/dbraw/zinc/83/90/25/464839025.db2.gz RTSGLECFEIKMGR-GOSISDBHSA-N 1 0 348.447 2.481 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000286373484 464896787 /nfs/dbraw/zinc/89/67/87/464896787.db2.gz YUKGZBYPIUXDJD-KCQAQPDRSA-N 1 0 335.404 2.371 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286612079 464977200 /nfs/dbraw/zinc/97/72/00/464977200.db2.gz UIGBOCWWKNIQNW-BBRMVZONSA-N 1 0 332.404 2.363 20 5 EEBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295875944 464993602 /nfs/dbraw/zinc/99/36/02/464993602.db2.gz FXYNOJNKURMVBW-CZUORRHYSA-N 1 0 338.404 2.081 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+](CC2CC2)CC2CC2)cc1 ZINC000342759625 465346371 /nfs/dbraw/zinc/34/63/71/465346371.db2.gz ZTHRERPLVCSLPS-UHFFFAOYSA-N 1 0 338.429 2.491 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342926627 465393010 /nfs/dbraw/zinc/39/30/10/465393010.db2.gz GMYBDDCDBYSLFR-LBPRGKRZSA-N 1 0 348.403 2.163 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930785 465396070 /nfs/dbraw/zinc/39/60/70/465396070.db2.gz VKXBZCIAWQRORL-NEPJUHHUSA-N 1 0 328.372 2.433 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351903520 465431617 /nfs/dbraw/zinc/43/16/17/465431617.db2.gz XVEDXCVMTPRTEL-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO Cc1c(CNC(=O)N2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000359538653 465441372 /nfs/dbraw/zinc/44/13/72/465441372.db2.gz CFULPRQAEKTQPB-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000352089992 465474937 /nfs/dbraw/zinc/47/49/37/465474937.db2.gz TXVIHPVDVWKJPC-FZMZJTMJSA-N 1 0 329.360 2.175 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000554641042 468435198 /nfs/dbraw/zinc/43/51/98/468435198.db2.gz FNCRWOULHWLTJR-BBRMVZONSA-N 1 0 342.399 2.326 20 5 EEBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339824293 465534281 /nfs/dbraw/zinc/53/42/81/465534281.db2.gz FKNUUSQBHZYHBW-RDJZCZTQSA-N 1 0 338.404 2.081 20 5 EEBDRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371065812 465580382 /nfs/dbraw/zinc/58/03/82/465580382.db2.gz QPONNJREKWTRCG-CQSZACIVSA-N 1 0 333.388 2.282 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339964678 465642001 /nfs/dbraw/zinc/64/20/01/465642001.db2.gz FUZMBEONVZZMDV-UHFFFAOYSA-N 1 0 334.420 2.121 20 5 EEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000356991606 465683335 /nfs/dbraw/zinc/68/33/35/465683335.db2.gz UHTIOQROJOULMZ-INIZCTEOSA-N 1 0 335.404 2.351 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330552028 465702085 /nfs/dbraw/zinc/70/20/85/465702085.db2.gz FFCFMJJECBICPA-UONOGXRCSA-N 1 0 334.420 2.256 20 5 EEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371353313 465738319 /nfs/dbraw/zinc/73/83/19/465738319.db2.gz IICUPTKHAKGWFC-DLBZAZTESA-N 1 0 325.368 2.422 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361117794 465775532 /nfs/dbraw/zinc/77/55/32/465775532.db2.gz OLVXQRQQVARSSX-UKRRQHHQSA-N 1 0 337.807 2.295 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000340134142 465796936 /nfs/dbraw/zinc/79/69/36/465796936.db2.gz IHQOIVJNRLOZFP-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371461450 465810457 /nfs/dbraw/zinc/81/04/57/465810457.db2.gz XYLLQQJICQJETG-ROUUACIJSA-N 1 0 344.415 2.459 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCCC[C@@H]1CO ZINC000594016744 468461097 /nfs/dbraw/zinc/46/10/97/468461097.db2.gz HATVGQCYCRYXIZ-CQSZACIVSA-N 1 0 349.387 2.130 20 5 EEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301290807 465937588 /nfs/dbraw/zinc/93/75/88/465937588.db2.gz NPRICKDSESABLV-CQSZACIVSA-N 1 0 338.839 2.464 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346170542 465958156 /nfs/dbraw/zinc/95/81/56/465958156.db2.gz AOILASFMYSFRSW-RWMBFGLXSA-N 1 0 349.435 2.244 20 5 EEBDRO COc1cccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331229835 465989373 /nfs/dbraw/zinc/98/93/73/465989373.db2.gz POZFBPVVVUMCHB-LBPRGKRZSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC000366908196 466010228 /nfs/dbraw/zinc/01/02/28/466010228.db2.gz CRLANCWKUASBPT-RDJZCZTQSA-N 1 0 337.395 2.467 20 5 EEBDRO COc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346249694 466028240 /nfs/dbraw/zinc/02/82/40/466028240.db2.gz XKRKEQOOVYECLO-GZBFAFLISA-N 1 0 347.415 2.406 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNc1cnccn1 ZINC000349245160 466034222 /nfs/dbraw/zinc/03/42/22/466034222.db2.gz FWZLELSQDJRVGT-CYBMUJFWSA-N 1 0 347.444 2.957 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NCCC[NH+]3CCCCC3)n2)cc1 ZINC000362832009 466057849 /nfs/dbraw/zinc/05/78/49/466057849.db2.gz VOAWRGSNMMQBHR-UHFFFAOYSA-N 1 0 331.376 2.933 20 5 EEBDRO COc1c(C(=O)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000353683586 466065584 /nfs/dbraw/zinc/06/55/84/466065584.db2.gz JNUPMZAYBNCDGP-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000361534245 466082572 /nfs/dbraw/zinc/08/25/72/466082572.db2.gz WSACCULKAZYDQY-HUUCEWRRSA-N 1 0 348.447 2.410 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000591446234 468471509 /nfs/dbraw/zinc/47/15/09/468471509.db2.gz VDCSBTJYQJLWJJ-ZIAGYGMSSA-N 1 0 340.811 2.366 20 5 EEBDRO COC(=O)c1cnc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302761146 466179056 /nfs/dbraw/zinc/17/90/56/466179056.db2.gz KFZHVJPRMCWGLE-NEPJUHHUSA-N 1 0 336.392 2.309 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363027210 466184426 /nfs/dbraw/zinc/18/44/26/466184426.db2.gz WTIZOHUASSDXGR-OLZOCXBDSA-N 1 0 332.404 2.017 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000331764362 466236270 /nfs/dbraw/zinc/23/62/70/466236270.db2.gz CUYPQIHKAJVMPI-FRRDWIJNSA-N 1 0 349.435 2.358 20 5 EEBDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331836109 466264743 /nfs/dbraw/zinc/26/47/43/466264743.db2.gz BWPRFPPFKBCCBF-PVAVHDDUSA-N 1 0 338.379 2.486 20 5 EEBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578250 468486101 /nfs/dbraw/zinc/48/61/01/468486101.db2.gz GSURHVCANYFNRT-GDBMZVCRSA-N 1 0 329.404 2.149 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000372436212 466379572 /nfs/dbraw/zinc/37/95/72/466379572.db2.gz RFQXGACLPPNIMP-UHFFFAOYSA-N 1 0 332.404 2.094 20 5 EEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305236260 466387999 /nfs/dbraw/zinc/38/79/99/466387999.db2.gz XKZXTKOZDPQNPH-CHWSQXEVSA-N 1 0 349.387 2.128 20 5 EEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305728630 466439542 /nfs/dbraw/zinc/43/95/42/466439542.db2.gz JZEJRGKACNVKLT-OAHLLOKOSA-N 1 0 349.387 2.128 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000305772126 466458912 /nfs/dbraw/zinc/45/89/12/466458912.db2.gz KTHFIKQPINWCHI-CQSZACIVSA-N 1 0 336.779 2.085 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347200002 466469881 /nfs/dbraw/zinc/46/98/81/466469881.db2.gz COAONOQRXIHOSA-ZDUSSCGKSA-N 1 0 335.404 2.467 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000367699081 466499680 /nfs/dbraw/zinc/49/96/80/466499680.db2.gz PGYWBDDHXNSRBU-CQSZACIVSA-N 1 0 345.403 2.096 20 5 EEBDRO Cc1cnc(NCc2ccncc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000341038601 466533860 /nfs/dbraw/zinc/53/38/60/466533860.db2.gz FHNISTFABJLGGW-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000347313708 466557132 /nfs/dbraw/zinc/55/71/32/466557132.db2.gz IVQFMUYUIWEURN-QINSGFPZSA-N 1 0 333.432 2.387 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354432679 466563289 /nfs/dbraw/zinc/56/32/89/466563289.db2.gz PCJGCQMQVNOVEL-UONOGXRCSA-N 1 0 335.404 2.305 20 5 EEBDRO Cc1c(Br)c(N2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000347428664 466628251 /nfs/dbraw/zinc/62/82/51/466628251.db2.gz LZFPKYNIEATJJM-UHFFFAOYSA-N 1 0 329.198 2.203 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c([N+](=O)[O-])c1 ZINC000423241495 466702727 /nfs/dbraw/zinc/70/27/27/466702727.db2.gz YACCGIDHCBMLTD-HIFRSBDPSA-N 1 0 334.420 2.210 20 5 EEBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377154 466732749 /nfs/dbraw/zinc/73/27/49/466732749.db2.gz JXNBMIRZQLACMM-XNRPHZJLSA-N 1 0 329.404 2.148 20 5 EEBDRO COc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC000423648192 466795610 /nfs/dbraw/zinc/79/56/10/466795610.db2.gz ZKROFVXMPPNNPO-CQSZACIVSA-N 1 0 347.415 2.374 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423652363 466796474 /nfs/dbraw/zinc/79/64/74/466796474.db2.gz TVLBFBYCOKNPIU-QWHCGFSZSA-N 1 0 333.388 2.111 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423701028 466808935 /nfs/dbraw/zinc/80/89/35/466808935.db2.gz UQKKDTZJSFBQAB-VXGBXAGGSA-N 1 0 328.372 2.390 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417236662 466811242 /nfs/dbraw/zinc/81/12/42/466811242.db2.gz UUPONUXKJUPNQN-MRXNPFEDSA-N 1 0 346.431 2.168 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000373604025 466864444 /nfs/dbraw/zinc/86/44/44/466864444.db2.gz NKNBXSDYESSFNS-SFHVURJKSA-N 1 0 347.415 2.375 20 5 EEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417988438 467012136 /nfs/dbraw/zinc/01/21/36/467012136.db2.gz KBGSYMHMQRPNNB-ZDUSSCGKSA-N 1 0 342.827 2.463 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000412176172 467031865 /nfs/dbraw/zinc/03/18/65/467031865.db2.gz PTETZZNUEJOYRF-NYUZSIGZSA-N 1 0 329.400 2.440 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000412176180 467032565 /nfs/dbraw/zinc/03/25/65/467032565.db2.gz PTETZZNUEJOYRF-YCCRMZCTSA-N 1 0 329.400 2.440 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000377132152 467037381 /nfs/dbraw/zinc/03/73/81/467037381.db2.gz WPQUAAYOPGZPTG-OAGGEKHMSA-N 1 0 342.399 2.333 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000412242365 467048519 /nfs/dbraw/zinc/04/85/19/467048519.db2.gz DCVORKRDGPLQKB-QMCVQRASSA-N 1 0 329.400 2.251 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418300312 467089760 /nfs/dbraw/zinc/08/97/60/467089760.db2.gz VBFRPRQLEMIVKP-UHFFFAOYSA-N 1 0 334.420 2.440 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413134015 467176115 /nfs/dbraw/zinc/17/61/15/467176115.db2.gz KOTQLTLJPVRLSA-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO COC(=O)Cc1ccc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413449220 467245096 /nfs/dbraw/zinc/24/50/96/467245096.db2.gz XCQZSHNPDUIKRX-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433836339 467357917 /nfs/dbraw/zinc/35/79/17/467357917.db2.gz NXWFKGWFVUTLST-NWDGAFQWSA-N 1 0 337.424 2.434 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327035 467359070 /nfs/dbraw/zinc/35/90/70/467359070.db2.gz COOXRWCTLQNYMC-TZMCWYRMSA-N 1 0 334.420 2.291 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420467776 467417367 /nfs/dbraw/zinc/41/73/67/467417367.db2.gz NNQQCMGMDXVQFA-UWVGGRQHSA-N 1 0 347.824 2.044 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434704757 467422815 /nfs/dbraw/zinc/42/28/15/467422815.db2.gz ZHDIUWMSSOSAPS-AXFHLTTASA-N 1 0 341.795 2.224 20 5 EEBDRO COc1cc(CN2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435376537 467463929 /nfs/dbraw/zinc/46/39/29/467463929.db2.gz RHVLXICDCUJYLX-VHSXEESVSA-N 1 0 345.346 2.387 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420740614 467469162 /nfs/dbraw/zinc/46/91/62/467469162.db2.gz GTHJSOCDQHOOQI-UHFFFAOYSA-N 1 0 341.433 2.054 20 5 EEBDRO CNc1nc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454709283 467611133 /nfs/dbraw/zinc/61/11/33/467611133.db2.gz HKXGCERQVZQUBS-NEPJUHHUSA-N 1 0 335.408 2.024 20 5 EEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449585540 467666772 /nfs/dbraw/zinc/66/67/72/467666772.db2.gz GHCQTECUSPRZSS-HTQZYQBOSA-N 1 0 335.282 2.001 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449597342 467668119 /nfs/dbraw/zinc/66/81/19/467668119.db2.gz DRRYBJNDEOYZTE-GXTWGEPZSA-N 1 0 334.420 2.298 20 5 EEBDRO CNc1nc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000455373276 467671768 /nfs/dbraw/zinc/67/17/68/467671768.db2.gz AYGKRVLCAHPPGR-CYBMUJFWSA-N 1 0 347.419 2.122 20 5 EEBDRO CC[NH+]1CCN([C@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450259421 467810694 /nfs/dbraw/zinc/81/06/94/467810694.db2.gz WMNPLEBERBSPOH-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EEBDRO COc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000457460415 467829189 /nfs/dbraw/zinc/82/91/89/467829189.db2.gz QWBWBQSVWWASHL-UHFFFAOYSA-N 1 0 347.415 2.484 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488097186 468071383 /nfs/dbraw/zinc/07/13/83/468071383.db2.gz GEHMLFMVAITAFE-AWEZNQCLSA-N 1 0 344.415 2.070 20 5 EEBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589210478 468133287 /nfs/dbraw/zinc/13/32/87/468133287.db2.gz GUYABEVYGFWVDJ-QGZVFWFLSA-N 1 0 336.388 2.351 20 5 EEBDRO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000548956023 468161540 /nfs/dbraw/zinc/16/15/40/468161540.db2.gz TZNHOKYGWAPVHZ-CQSZACIVSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591749467 468514178 /nfs/dbraw/zinc/51/41/78/468514178.db2.gz QZCNMBQALHBOOH-DZGCQCFKSA-N 1 0 331.372 2.123 20 5 EEBDRO NC(=O)Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594525605 468616144 /nfs/dbraw/zinc/61/61/44/468616144.db2.gz WROFMUVATJDTHH-INIZCTEOSA-N 1 0 325.368 2.400 20 5 EEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000570394651 468633494 /nfs/dbraw/zinc/63/34/94/468633494.db2.gz GULAFONVZKUHLP-JSGCOSHPSA-N 1 0 349.435 2.027 20 5 EEBDRO [NH3+]Cc1cccc2c1N(CC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000600721134 468633691 /nfs/dbraw/zinc/63/36/91/468633691.db2.gz ANPZHDAZJFIOJJ-UHFFFAOYSA-N 1 0 340.383 2.445 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000557546691 468634711 /nfs/dbraw/zinc/63/47/11/468634711.db2.gz WYXUPFABBCCCKU-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253619 468665225 /nfs/dbraw/zinc/66/52/25/468665225.db2.gz KIYUOCMLJOHRCV-GJZGRUSLSA-N 1 0 347.415 2.455 20 5 EEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592434017 468697997 /nfs/dbraw/zinc/69/79/97/468697997.db2.gz JNGQHNMNIQNOFO-JQWIXIFHSA-N 1 0 333.310 2.328 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)CC1 ZINC000570960129 468720572 /nfs/dbraw/zinc/72/05/72/468720572.db2.gz RWAZZPTYDMKARL-MGCOHNPYSA-N 1 0 344.209 2.284 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567942 468731054 /nfs/dbraw/zinc/73/10/54/468731054.db2.gz GCQVIOKAGJNKFC-ZDUSSCGKSA-N 1 0 333.388 2.155 20 5 EEBDRO C[C@H](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597991722 468732739 /nfs/dbraw/zinc/73/27/39/468732739.db2.gz HHYWUGWOBFIECM-LLVKDONJSA-N 1 0 343.811 2.474 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000601099964 468740814 /nfs/dbraw/zinc/74/08/14/468740814.db2.gz CDVXIPYFFOSANU-HNNXBMFYSA-N 1 0 342.399 2.444 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601110924 468744755 /nfs/dbraw/zinc/74/47/55/468744755.db2.gz LLOMDBNAJBNNCR-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595023851 468744822 /nfs/dbraw/zinc/74/48/22/468744822.db2.gz YYWZGXYMAGBXEE-RYUDHWBXSA-N 1 0 336.392 2.058 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000595032602 468745911 /nfs/dbraw/zinc/74/59/11/468745911.db2.gz NTQWVEHKBLCERD-BLLLJJGKSA-N 1 0 338.404 2.432 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C(N)=O)cs1 ZINC000595081535 468754061 /nfs/dbraw/zinc/75/40/61/468754061.db2.gz IGWMBTXDZFKZKL-JTQLQIEISA-N 1 0 334.401 2.261 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000601184846 468774037 /nfs/dbraw/zinc/77/40/37/468774037.db2.gz PAUUUIPQZLARMI-QWHCGFSZSA-N 1 0 333.388 2.078 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000571523286 468800660 /nfs/dbraw/zinc/80/06/60/468800660.db2.gz IOEZMIZKDMBSKO-HNNXBMFYSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000571626841 468813373 /nfs/dbraw/zinc/81/33/73/468813373.db2.gz MFHRZIVAGGUIDZ-BFJAYTPKSA-N 1 0 333.436 2.490 20 5 EEBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571670386 468822108 /nfs/dbraw/zinc/82/21/08/468822108.db2.gz BIPKCQVGLSIXFG-ABAIWWIYSA-N 1 0 349.387 2.333 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598343186 468837602 /nfs/dbraw/zinc/83/76/02/468837602.db2.gz TYKCOCHIAVLUFW-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598343184 468838081 /nfs/dbraw/zinc/83/80/81/468838081.db2.gz TYKCOCHIAVLUFW-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386471 468857718 /nfs/dbraw/zinc/85/77/18/468857718.db2.gz GSVOFAXTNNKLKN-VBQJREDUSA-N 1 0 346.431 2.467 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000593110386 468874959 /nfs/dbraw/zinc/87/49/59/468874959.db2.gz WJVOHCLTEVGXLK-OAHLLOKOSA-N 1 0 349.406 2.467 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595588172 468913750 /nfs/dbraw/zinc/91/37/50/468913750.db2.gz MIYFCAOIHRBHGD-INIZCTEOSA-N 1 0 338.379 2.391 20 5 EEBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595671134 468947503 /nfs/dbraw/zinc/94/75/03/468947503.db2.gz NRXPWXNFBJYZQQ-MLGOLLRUSA-N 1 0 336.388 2.444 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000593413535 468967637 /nfs/dbraw/zinc/96/76/37/468967637.db2.gz XRPAYFHFFORJGO-UHFFFAOYSA-N 1 0 335.379 2.267 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](CO)Cc2ccco2)n1 ZINC000562603538 469003725 /nfs/dbraw/zinc/00/37/25/469003725.db2.gz PJXKHTVSNHTJHE-CWRNSKLLSA-N 1 0 348.403 2.309 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610582606 469010340 /nfs/dbraw/zinc/01/03/40/469010340.db2.gz CTDFTLUQJQEPQJ-MRXNPFEDSA-N 1 0 326.360 2.019 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000595804571 469019832 /nfs/dbraw/zinc/01/98/32/469019832.db2.gz ACOUPMYJQKLGRB-HNNXBMFYSA-N 1 0 334.420 2.263 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000585718500 469020308 /nfs/dbraw/zinc/02/03/08/469020308.db2.gz IWAGNYRSLNSGRF-INIZCTEOSA-N 1 0 349.431 2.160 20 5 EEBDRO O=C1CCCC12CC[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595806979 469020745 /nfs/dbraw/zinc/02/07/45/469020745.db2.gz NWNLDCPIRUNGEB-HNNXBMFYSA-N 1 0 348.399 2.170 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000602731744 469038444 /nfs/dbraw/zinc/03/84/44/469038444.db2.gz AYWYFHPUUQAFPV-GFCCVEGCSA-N 1 0 329.282 2.122 20 5 EEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000598913830 469047160 /nfs/dbraw/zinc/04/71/60/469047160.db2.gz PKVOVMPCZDCXQT-BBRMVZONSA-N 1 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CC1CC[NH+](CC(=O)N(C)CCN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001105446633 1187198005 /nfs/dbraw/zinc/19/80/05/1187198005.db2.gz WUAGFODJJUMGMZ-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO Cc1cc(N(C)CCN(C)C(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001105538661 1188159807 /nfs/dbraw/zinc/15/98/07/1188159807.db2.gz CICVTEPMTNVWDG-UHFFFAOYSA-N 1 0 336.436 2.140 20 5 EEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000842333144 1188640124 /nfs/dbraw/zinc/64/01/24/1188640124.db2.gz BKWJGFDHIMKEHX-IXDOHACOSA-N 1 0 348.399 2.351 20 5 EEBDRO CN(C(=O)c1ccn[nH]1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005130000 1194484352 /nfs/dbraw/zinc/48/43/52/1194484352.db2.gz MSOYCCQJPYKQEY-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO Cc1cccc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005378146 1195331664 /nfs/dbraw/zinc/33/16/64/1195331664.db2.gz KAMWLZSPWVHLET-SJLPKXTDSA-N 1 0 345.443 2.391 20 5 EEBDRO CC(C)C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000865787008 1198375008 /nfs/dbraw/zinc/37/50/08/1198375008.db2.gz XWGSQJACXDBEJL-ZDUSSCGKSA-N 1 0 325.384 2.369 20 5 EEBDRO COc1ccc(F)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132096300 1199286231 /nfs/dbraw/zinc/28/62/31/1199286231.db2.gz DEMSCCPKRZCVLR-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO COc1cc(C[NH2+]C2CSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000877635048 1199996561 /nfs/dbraw/zinc/99/65/61/1199996561.db2.gz ZYJOBCVSBFARSU-UHFFFAOYSA-N 1 0 334.344 2.452 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878166653 1200296077 /nfs/dbraw/zinc/29/60/77/1200296077.db2.gz AKWPCAIMIRRXBT-ZDUSSCGKSA-N 1 0 345.403 2.418 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878443906 1200472519 /nfs/dbraw/zinc/47/25/19/1200472519.db2.gz QWCRBMQBYFOWOW-UHFFFAOYSA-N 1 0 331.376 2.171 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(F)CC1 ZINC000880241074 1201432437 /nfs/dbraw/zinc/43/24/37/1201432437.db2.gz RBMRLQXOGIBVCV-UHFFFAOYSA-N 1 0 325.340 2.366 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000866364872 1201500669 /nfs/dbraw/zinc/50/06/69/1201500669.db2.gz DMZUOHXCCMUAJT-XJKSGUPXSA-N 1 0 339.411 2.101 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000866382984 1201504536 /nfs/dbraw/zinc/50/45/36/1201504536.db2.gz BELWYKVFRHKQQN-NWDGAFQWSA-N 1 0 335.379 2.265 20 5 EEBDRO COCCC[N@H+](CCOC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121119555 1201543173 /nfs/dbraw/zinc/54/31/73/1201543173.db2.gz RASGLBPPKQINIE-UHFFFAOYSA-N 1 0 336.392 2.195 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NCC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867953474 1201713848 /nfs/dbraw/zinc/71/38/48/1201713848.db2.gz XPGDWYZNYWNKMG-IBGZPJMESA-N 1 0 339.395 2.300 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000121948137 1201715320 /nfs/dbraw/zinc/71/53/20/1201715320.db2.gz DXFIKYOQEFDODU-QHLGLPELSA-N 1 0 347.415 2.176 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000868076837 1201739148 /nfs/dbraw/zinc/73/91/48/1201739148.db2.gz LBCIOCFHIMCUKO-SFHVURJKSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC(O)CC2)cccc1C(F)(F)F ZINC000884524407 1202330929 /nfs/dbraw/zinc/33/09/29/1202330929.db2.gz XIYAVVKGCGVTQG-UHFFFAOYSA-N 1 0 333.310 2.482 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885977324 1202461109 /nfs/dbraw/zinc/46/11/09/1202461109.db2.gz HBLIYBRXNIESMZ-CQSZACIVSA-N 1 0 336.388 2.291 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095423911 1205736519 /nfs/dbraw/zinc/73/65/19/1205736519.db2.gz VYBDPYBIBSKGFS-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCCNC(=O)CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001095569912 1205877935 /nfs/dbraw/zinc/87/79/35/1205877935.db2.gz KZFGKKBBLYIFAE-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000931281113 1206621388 /nfs/dbraw/zinc/62/13/88/1206621388.db2.gz NTHDCMDWQQZREC-IMRBUKKESA-N 1 0 340.221 2.349 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000931438236 1207380475 /nfs/dbraw/zinc/38/04/75/1207380475.db2.gz PMYWKEQJSWKOBF-KGLIPLIRSA-N 1 0 343.387 2.028 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933054586 1207719162 /nfs/dbraw/zinc/71/91/62/1207719162.db2.gz GXEOYXHPEWMVRV-OAHLLOKOSA-N 1 0 336.388 2.109 20 5 EEBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000935316172 1208131964 /nfs/dbraw/zinc/13/19/64/1208131964.db2.gz QLWDKLRBPBLNBS-AFAVFJNCSA-N 1 0 329.400 2.465 20 5 EEBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001111309357 1210106254 /nfs/dbraw/zinc/10/62/54/1210106254.db2.gz LNGJDAZQYVDKCP-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000795702359 1214976987 /nfs/dbraw/zinc/97/69/87/1214976987.db2.gz FAPHRSDSPPRBNY-CHWSQXEVSA-N 1 0 346.387 2.019 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1O ZINC001019991929 1229432864 /nfs/dbraw/zinc/43/28/64/1229432864.db2.gz MIMLFBZXJUUORL-HDJSIYSDSA-N 1 0 341.367 2.351 20 5 EEBDRO CC1(NC(=O)c2ncc[nH]2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045435028 1233743800 /nfs/dbraw/zinc/74/38/00/1233743800.db2.gz DLFFDVGOUDFDIF-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1CCC([NH+]2CCOCC2)CC1 ZINC000900241830 1234116562 /nfs/dbraw/zinc/11/65/62/1234116562.db2.gz WWTVYNUBNQFAGH-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000827225145 1250894476 /nfs/dbraw/zinc/89/44/76/1250894476.db2.gz RQAUAWQFKHKSNB-QGZVFWFLSA-N 1 0 347.415 2.105 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000815180350 1278067806 /nfs/dbraw/zinc/06/78/06/1278067806.db2.gz JAHVRLCHDKPYFC-PHIMTYICSA-N 1 0 340.811 2.211 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825550043 1292706649 /nfs/dbraw/zinc/70/66/49/1292706649.db2.gz XWVFPCXDTRLSNV-SJORKVTESA-N 1 0 349.431 2.399 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000855289600 1293155705 /nfs/dbraw/zinc/15/57/05/1293155705.db2.gz SECXWIKNRWOUSZ-JTQLQIEISA-N 1 0 349.416 2.202 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855810628 1293335897 /nfs/dbraw/zinc/33/58/97/1293335897.db2.gz CWVWLPVRXZGTGX-PBHICJAKSA-N 1 0 347.415 2.151 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862789291 1295961854 /nfs/dbraw/zinc/96/18/54/1295961854.db2.gz KAWFOLFJCQODOY-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001216482690 1297187914 /nfs/dbraw/zinc/18/79/14/1297187914.db2.gz LCOPIYNAGNOXCJ-UHFFFAOYSA-N 1 0 341.302 2.492 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC001218860004 1297839717 /nfs/dbraw/zinc/83/97/17/1297839717.db2.gz RPSQSIOBYFAWJM-VIFPVBQESA-N 1 0 331.326 2.286 20 5 EEBDRO COC(=O)c1cccc([N+](=O)[O-])c1COC1CC[NH+](CCF)CC1 ZINC001222772336 1299845014 /nfs/dbraw/zinc/84/50/14/1299845014.db2.gz AWVAQQIFGUTKCH-UHFFFAOYSA-N 1 0 340.351 2.332 20 5 EEBDRO Cc1oc(-c2cccs2)nc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224223688 1300496771 /nfs/dbraw/zinc/49/67/71/1300496771.db2.gz JSIGAWQXBOJYNB-GFCCVEGCSA-N 1 0 339.437 2.212 20 5 EEBDRO C[N+](C)(C)CCOC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC001224772410 1300731806 /nfs/dbraw/zinc/73/18/06/1300731806.db2.gz ZSHHHRPVLVODGC-UHFFFAOYSA-N 1 0 326.848 2.062 20 5 EEBDRO CCCCOCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226691091 1301511827 /nfs/dbraw/zinc/51/18/27/1301511827.db2.gz WQIJDCCCDTUMRJ-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO O=[N+]([O-])c1cncc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC001227990063 1302042669 /nfs/dbraw/zinc/04/26/69/1302042669.db2.gz FHRXXWMMBQRDIE-QGZVFWFLSA-N 1 0 329.356 2.270 20 5 EEBDRO CCOC(=O)c1cc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2oc1=O ZINC001228820826 1302467649 /nfs/dbraw/zinc/46/76/49/1302467649.db2.gz IVYHOSFOLXPWOV-LBPRGKRZSA-N 1 0 334.392 2.443 20 5 EEBDRO C[NH+](C)CCN1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218973 1304041427 /nfs/dbraw/zinc/04/14/27/1304041427.db2.gz JESKLXHBIXRYPF-UHFFFAOYSA-N 1 0 349.482 2.462 20 5 EEBDRO CC(C)OCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234188575 1304788029 /nfs/dbraw/zinc/78/80/29/1304788029.db2.gz GMJARTCYIMFUQS-UHFFFAOYSA-N 1 0 337.420 2.348 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246936544 1310471908 /nfs/dbraw/zinc/47/19/08/1310471908.db2.gz DZJSYQCVAGNHKZ-VXGBXAGGSA-N 1 0 325.384 2.357 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@]3(CO2)CCC[NH2+]C3)n1 ZINC001247931738 1310788419 /nfs/dbraw/zinc/78/84/19/1310788419.db2.gz MUJVDMFTXJVSPR-IAQYHMDHSA-N 1 0 349.322 2.010 20 5 EEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c21 ZINC001160740996 1320254938 /nfs/dbraw/zinc/25/49/38/1320254938.db2.gz BUMGNPSRHXRUIY-BDAKNGLRSA-N 1 0 341.293 2.490 20 5 EEBDRO COC(=O)[C@@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C(C)(C)[NH3+] ZINC001162947630 1320993614 /nfs/dbraw/zinc/99/36/14/1320993614.db2.gz QRYBXUFINZPQLU-SNVBAGLBSA-N 1 0 335.282 2.304 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603625 1315219039 /nfs/dbraw/zinc/21/90/39/1315219039.db2.gz GFKQDTULSYWFPJ-SNVBAGLBSA-N 1 0 329.784 2.280 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000841857413 1315625208 /nfs/dbraw/zinc/62/52/08/1315625208.db2.gz YGAKDIGNBLUQOJ-NSHDSACASA-N 1 0 326.784 2.190 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc([N+](=O)[O-])c1 ZINC000842666480 1315749542 /nfs/dbraw/zinc/74/95/42/1315749542.db2.gz CIECCJKVGDOGSO-SNVBAGLBSA-N 1 0 346.343 2.289 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843067690 1315834268 /nfs/dbraw/zinc/83/42/68/1315834268.db2.gz HBQQDROUNRRHLB-KDOFPFPSSA-N 1 0 348.374 2.208 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843345757 1315894861 /nfs/dbraw/zinc/89/48/61/1315894861.db2.gz CJPLLJWQDMBSFL-LKFCYVNXSA-N 1 0 336.348 2.011 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843474298 1315920190 /nfs/dbraw/zinc/92/01/90/1315920190.db2.gz WWVIWKOOUMYNHE-DTWKUNHWSA-N 1 0 329.759 2.139 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000843474297 1315920258 /nfs/dbraw/zinc/92/02/58/1315920258.db2.gz WWVIWKOOUMYNHE-BDAKNGLRSA-N 1 0 329.759 2.139 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000843502551 1315924967 /nfs/dbraw/zinc/92/49/67/1315924967.db2.gz DVZFSQOZJVWGLE-LBPRGKRZSA-N 1 0 348.359 2.216 20 5 EEBDRO O=C(COCc1ccccc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150752872 1316364622 /nfs/dbraw/zinc/36/46/22/1316364622.db2.gz CRIKVZKIGOYNKE-UHFFFAOYSA-N 1 0 343.383 2.017 20 5 EEBDRO COc1ncccc1-c1noc(C[C@@H]([NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC001249343277 1317056832 /nfs/dbraw/zinc/05/68/32/1317056832.db2.gz WWFLBGHXYBSDOY-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001154672983 1317259648 /nfs/dbraw/zinc/25/96/48/1317259648.db2.gz SELURXBZVLHGPB-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001154759077 1317299974 /nfs/dbraw/zinc/29/99/74/1317299974.db2.gz LRFYVENRAGQCIF-UHFFFAOYSA-N 1 0 329.356 2.210 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001155461568 1317606655 /nfs/dbraw/zinc/60/66/55/1317606655.db2.gz GIAQLESDNGQGNI-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO COC(=O)c1ccnc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001155562681 1317653142 /nfs/dbraw/zinc/65/31/42/1317653142.db2.gz VKBDADINAJWTOI-JTQLQIEISA-N 1 0 334.357 2.094 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155616461 1317675392 /nfs/dbraw/zinc/67/53/92/1317675392.db2.gz DMCMVHIOLJZYHU-QMTHXVAHSA-N 1 0 326.784 2.275 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3ccccn3)CC2)cc1 ZINC001254469708 1318082221 /nfs/dbraw/zinc/08/22/21/1318082221.db2.gz XSLZQSHWHRGNLF-SFHVURJKSA-N 1 0 342.399 2.282 20 5 EEBDRO Cc1nccnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470513 1318082329 /nfs/dbraw/zinc/08/23/29/1318082329.db2.gz QGVUZAAKYBOLHP-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO CC(=O)NCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469836 1318082475 /nfs/dbraw/zinc/08/24/75/1318082475.db2.gz HQIJXNCIDDIHMK-UHFFFAOYSA-N 1 0 334.420 2.070 20 5 EEBDRO Cc1ncncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472573 1318082738 /nfs/dbraw/zinc/08/27/38/1318082738.db2.gz FDKBYVYOSKFHIU-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001254532323 1318112926 /nfs/dbraw/zinc/11/29/26/1318112926.db2.gz MUEBNFWDRJMTHN-LBPRGKRZSA-N 1 0 349.412 2.114 20 5 EEBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577245 1318127831 /nfs/dbraw/zinc/12/78/31/1318127831.db2.gz DTASIGMRMLRTTE-CRAIPNDOSA-N 1 0 328.368 2.394 20 5 EEBDRO CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589022 1318136817 /nfs/dbraw/zinc/13/68/17/1318136817.db2.gz KXQIWMGDJNFZQA-FUHWJXTLSA-N 1 0 347.459 2.399 20 5 EEBDRO CCNC(=O)OC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607659 1318142875 /nfs/dbraw/zinc/14/28/75/1318142875.db2.gz LQUQFFNJPUFMPM-OAHLLOKOSA-N 1 0 333.388 2.273 20 5 EEBDRO CCOC(=O)[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS1 ZINC001254612654 1318145530 /nfs/dbraw/zinc/14/55/30/1318145530.db2.gz XMXIOKKDFXITTF-LSDHHAIUSA-N 1 0 336.413 2.043 20 5 EEBDRO Cc1cc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[NH2+]C2)ncn1 ZINC001254612458 1318146150 /nfs/dbraw/zinc/14/61/50/1318146150.db2.gz WNXWPSMPXPJXSR-DLBZAZTESA-N 1 0 339.399 2.029 20 5 EEBDRO COc1cc(C)nc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001157218311 1318496956 /nfs/dbraw/zinc/49/69/56/1318496956.db2.gz PJMVBBOERRMQAZ-UHFFFAOYSA-N 1 0 342.355 2.458 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ccn(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001256086746 1318644046 /nfs/dbraw/zinc/64/40/46/1318644046.db2.gz CUOOHFTXDUOJPU-UHFFFAOYSA-N 1 0 345.403 2.096 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@]3(C)C[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256086656 1318644821 /nfs/dbraw/zinc/64/48/21/1318644821.db2.gz ALXWVSQKOAORJC-CZIWCDLHSA-N 1 0 335.404 2.075 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(N(c3cnccn3)C3CC[NH2+]CC3)nc21 ZINC001157541161 1318703970 /nfs/dbraw/zinc/70/39/70/1318703970.db2.gz IKXUCQXFIPEOSS-UHFFFAOYSA-N 1 0 339.359 2.151 20 5 EEBDRO CCC[N@H+]1C[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001157689168 1318797958 /nfs/dbraw/zinc/79/79/58/1318797958.db2.gz HEDQTQXSFMZEEE-BETUJISGSA-N 1 0 327.388 2.316 20 5 EEBDRO CCC[NH+]1C[C@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157687947 1318798730 /nfs/dbraw/zinc/79/87/30/1318798730.db2.gz CMELWRGODSCGER-QWRGUYRKSA-N 1 0 325.800 2.125 20 5 EEBDRO Cc1ncn(-c2ncnc3cccc([N+](=O)[O-])c32)c1CSCC[NH3+] ZINC001157966504 1318953014 /nfs/dbraw/zinc/95/30/14/1318953014.db2.gz RIUCFJNUVIBLIG-UHFFFAOYSA-N 1 0 344.400 2.224 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCO[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC001158309589 1319163861 /nfs/dbraw/zinc/16/38/61/1319163861.db2.gz OAVAUCHQPCBOIO-CQSZACIVSA-N 1 0 342.399 2.444 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158409923 1319225482 /nfs/dbraw/zinc/22/54/82/1319225482.db2.gz DRFGKZGOPRCHAP-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO Cc1nc(N2CC[NH+](Cc3cccc(N)c3)CC2)ccc1[N+](=O)[O-] ZINC001158478159 1319260634 /nfs/dbraw/zinc/26/06/34/1319260634.db2.gz AAJWQLVMWHTGPF-UHFFFAOYSA-N 1 0 327.388 2.203 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(C[NH2+]C3)CC2)cnc1Cl ZINC001159039732 1319573332 /nfs/dbraw/zinc/57/33/32/1319573332.db2.gz LGDRFMBDTDOEGA-UHFFFAOYSA-N 1 0 332.738 2.378 20 5 EEBDRO O=C(NCCC1=CC[N@H+](CCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090703 1320067957 /nfs/dbraw/zinc/06/79/57/1320067957.db2.gz NUUXPNPVJCXKDT-QZTJIDSGSA-N 1 0 343.427 2.033 20 5 EEBDRO COc1nc(NCc2ccccc2N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001160108614 1320072462 /nfs/dbraw/zinc/07/24/62/1320072462.db2.gz RYVAHULCFJFRCW-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160738896 1320254428 /nfs/dbraw/zinc/25/44/28/1320254428.db2.gz VNHGTXGCMXPPRS-ZYHUDNBSSA-N 1 0 341.293 2.490 20 5 EEBDRO COc1cc(NC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001161101303 1320383807 /nfs/dbraw/zinc/38/38/07/1320383807.db2.gz VGPWKELCIUYFSE-UHFFFAOYSA-N 1 0 343.387 2.470 20 5 EEBDRO Cc1nn(C)c(C)c1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162884363 1320982390 /nfs/dbraw/zinc/98/23/90/1320982390.db2.gz BUEZMXHGHXQQTP-UHFFFAOYSA-N 1 0 347.419 2.498 20 5 EEBDRO c1cnc2c(c1)cc(NCc1nnn3c1C[NH2+]CCC3)c1cccnc12 ZINC001162977609 1321003305 /nfs/dbraw/zinc/00/33/05/1321003305.db2.gz LQUHEWCBQLRPNY-UHFFFAOYSA-N 1 0 345.410 2.480 20 5 EEBDRO c1cnc2c(c1)cc(NCc1nnc3n1CCC[NH2+]C3)c1cccnc12 ZINC001163022008 1321016972 /nfs/dbraw/zinc/01/69/72/1321016972.db2.gz KVHCLEXWBZCTNY-UHFFFAOYSA-N 1 0 345.410 2.480 20 5 EEBDRO COc1ncc([N+](=O)[O-])cc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061358 1321026737 /nfs/dbraw/zinc/02/67/37/1321026737.db2.gz TZBILPWTHRHVDG-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001163082444 1321031009 /nfs/dbraw/zinc/03/10/09/1321031009.db2.gz XLMWOUWQIISWBS-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278886 1321086525 /nfs/dbraw/zinc/08/65/25/1321086525.db2.gz LCBIGURPGVGCDF-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO Cc1c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163321520 1321097156 /nfs/dbraw/zinc/09/71/56/1321097156.db2.gz CMANMHKQDDGPLW-IAQYHMDHSA-N 1 0 336.348 2.134 20 5 EEBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccnc21 ZINC001163327048 1321098716 /nfs/dbraw/zinc/09/87/16/1321098716.db2.gz IQCFFMQKZRYDDU-PXAZEXFGSA-N 1 0 328.372 2.466 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164062853 1321283768 /nfs/dbraw/zinc/28/37/68/1321283768.db2.gz OJAWVBUZVCBSQT-HTQZYQBOSA-N 1 0 331.829 2.324 20 5 EEBDRO Cc1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001164494282 1321395809 /nfs/dbraw/zinc/39/58/09/1321395809.db2.gz CZRSOKKQCXRRCV-ZIAGYGMSSA-N 1 0 337.445 2.098 20 5 EEBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165270048 1321487685 /nfs/dbraw/zinc/48/76/85/1321487685.db2.gz VSWXPJLVQDLXDN-STQMWFEESA-N 1 0 348.790 2.364 20 5 EEBDRO CCCC(CCC)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001165310215 1321498761 /nfs/dbraw/zinc/49/87/61/1321498761.db2.gz RWCATENMELJQJC-UHFFFAOYSA-N 1 0 339.440 2.141 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001165320263 1321500158 /nfs/dbraw/zinc/50/01/58/1321500158.db2.gz QPAYOJFGVPVQPH-ZDUSSCGKSA-N 1 0 335.364 2.257 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165412450 1321520644 /nfs/dbraw/zinc/52/06/44/1321520644.db2.gz JZSMPLMTHAMISR-UHFFFAOYSA-N 1 0 348.790 2.426 20 5 EEBDRO Cc1cc(Cl)nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1[N+](=O)[O-] ZINC001165429615 1321524758 /nfs/dbraw/zinc/52/47/58/1321524758.db2.gz JWFSVERDXLPHAZ-ZJUUUORDSA-N 1 0 328.775 2.465 20 5 EEBDRO Cc1nn(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001262051932 1322226847 /nfs/dbraw/zinc/22/68/47/1322226847.db2.gz FHFRYKQUHXUTSI-OAHLLOKOSA-N 1 0 329.404 2.436 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001318413646 1332528830 /nfs/dbraw/zinc/52/88/30/1332528830.db2.gz NETSRQNTAKOVIZ-UKRRQHHQSA-N 1 0 339.367 2.102 20 5 EEBDRO Cc1nn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001319328696 1332685297 /nfs/dbraw/zinc/68/52/97/1332685297.db2.gz PRJXNXMNAHNIFU-SWLSCSKDSA-N 1 0 331.376 2.106 20 5 EEBDRO C[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001320089117 1332821179 /nfs/dbraw/zinc/82/11/79/1332821179.db2.gz WISUQQUMECGFPC-MRXNPFEDSA-N 1 0 339.367 2.157 20 5 EEBDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001326199413 1334042103 /nfs/dbraw/zinc/04/21/03/1334042103.db2.gz IWFBJXJGEFNYCI-MRXNPFEDSA-N 1 0 335.404 2.055 20 5 EEBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001332034620 1335710887 /nfs/dbraw/zinc/71/08/87/1335710887.db2.gz OVSMQIVMHVOVMA-KRWDZBQOSA-N 1 0 341.367 2.390 20 5 EEBDRO CC[N@H+](CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1CC1 ZINC001334142884 1336211860 /nfs/dbraw/zinc/21/18/60/1336211860.db2.gz VIOFBKJZETXIGK-UHFFFAOYSA-N 1 0 330.388 2.343 20 5 EEBDRO Cc1cccc2nc(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cn21 ZINC001335470139 1336380159 /nfs/dbraw/zinc/38/01/59/1336380159.db2.gz SNJLWXUWXUNQOC-QGZVFWFLSA-N 1 0 340.383 2.417 20 5 EEBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1csc([N+](=O)[O-])c1 ZINC001337867814 1336746511 /nfs/dbraw/zinc/74/65/11/1336746511.db2.gz WVCOQLOOIYUXGR-UHFFFAOYSA-N 1 0 332.385 2.450 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001575798312 1343887988 /nfs/dbraw/zinc/88/79/88/1343887988.db2.gz GKUSMEQRZICNGC-QLFBSQMISA-N 1 0 347.415 2.500 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001577227922 1344110930 /nfs/dbraw/zinc/11/09/30/1344110930.db2.gz OPKKRKDDMKTDGE-UHFFFAOYSA-N 1 0 344.774 2.313 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)cs1 ZINC001593472895 1349806919 /nfs/dbraw/zinc/80/69/19/1349806919.db2.gz CBXGHMWXGXPVJM-ZDUSSCGKSA-N 1 0 342.384 2.093 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001604679191 1350983234 /nfs/dbraw/zinc/98/32/34/1350983234.db2.gz IKYIUYMBVVDICV-GHMZBOCLSA-N 1 0 331.380 2.060 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886672905 1369642990 /nfs/dbraw/zinc/64/29/90/1369642990.db2.gz WUSSUYAJHGZGTK-KCPJHIHWSA-N 1 0 326.368 2.185 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC000886743124 1369659231 /nfs/dbraw/zinc/65/92/31/1369659231.db2.gz UNTBIAOSEZCZAJ-GFCCVEGCSA-N 1 0 338.433 2.080 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001111903213 1371294856 /nfs/dbraw/zinc/29/48/56/1371294856.db2.gz MZDNGKZQJKIBRU-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001118197144 1371778813 /nfs/dbraw/zinc/77/88/13/1371778813.db2.gz OBDLJAYXVCMOJA-SSDOTTSWSA-N 1 0 348.172 2.082 20 5 EEBDRO O=C(O[C@H]1CCCCC1=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000849195704 1373248508 /nfs/dbraw/zinc/24/85/08/1373248508.db2.gz YEEKJHXYQWJSOD-HNNXBMFYSA-N 1 0 329.312 2.449 20 5 EEBDRO CC(C)(CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)[N+](=O)[O-] ZINC001575298645 1403544072 /nfs/dbraw/zinc/54/40/72/1403544072.db2.gz GFRISFJAMGTCRF-LSDHHAIUSA-N 1 0 337.395 2.304 20 5 EEBDRO C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001576208062 1403563307 /nfs/dbraw/zinc/56/33/07/1403563307.db2.gz SJAFWIVERPZDLA-GGZOMVNGSA-N 1 0 346.309 2.187 20 5 EEBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001576820470 1403609398 /nfs/dbraw/zinc/60/93/98/1403609398.db2.gz UYBBVHXRGPLZJY-FRRDWIJNSA-N 1 0 344.419 2.293 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100546451 1410667656 /nfs/dbraw/zinc/66/76/56/1410667656.db2.gz YGVHQSREFQLUDC-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001164667735 719482987 /nfs/dbraw/zinc/48/29/87/719482987.db2.gz MKWATNBQEHMQKN-HUUCEWRRSA-N 1 0 348.790 2.316 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC001167365928 758150246 /nfs/dbraw/zinc/15/02/46/758150246.db2.gz NGMIXUCMYLQFGG-UHFFFAOYSA-N 1 0 330.388 2.449 20 5 EEBDRO CC(C)N(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001125527322 759806331 /nfs/dbraw/zinc/80/63/31/759806331.db2.gz JBWWCWDUPZQPJJ-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001167752676 769542117 /nfs/dbraw/zinc/54/21/17/769542117.db2.gz WTBAUTLPPCCTEM-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068516048 774620129 /nfs/dbraw/zinc/62/01/29/774620129.db2.gz QMZXLJVZPUJLBF-WCQYABFASA-N 1 0 334.420 2.336 20 5 EEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CCCC1)C2 ZINC000982278978 779503494 /nfs/dbraw/zinc/50/34/94/779503494.db2.gz VJXYBPXFLPPJOC-AHCXZYCDSA-N 1 0 335.448 2.012 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000893745753 780149161 /nfs/dbraw/zinc/14/91/61/780149161.db2.gz YUWDLLZBLYWVMA-MRXNPFEDSA-N 1 0 342.399 2.362 20 5 EEBDRO Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cs1 ZINC001035704234 784985082 /nfs/dbraw/zinc/98/50/82/784985082.db2.gz HDPKKIOQHUQGNG-HUUCEWRRSA-N 1 0 349.456 2.146 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818565205 785295608 /nfs/dbraw/zinc/29/56/08/785295608.db2.gz QVQBGTYUMVNAAM-IUCAKERBSA-N 1 0 329.759 2.126 20 5 EEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000818942877 785334517 /nfs/dbraw/zinc/33/45/17/785334517.db2.gz LIJQXNRVHSQZNK-MOPGFXCFSA-N 1 0 343.427 2.391 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000819176626 785448803 /nfs/dbraw/zinc/44/88/03/785448803.db2.gz LLKQTEMWSZHOHV-ZDUSSCGKSA-N 1 0 345.186 2.421 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)cc1 ZINC000819266174 785499016 /nfs/dbraw/zinc/49/90/16/785499016.db2.gz FOHRXTHHRNGIDE-AWEZNQCLSA-N 1 0 339.298 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908610115 785565678 /nfs/dbraw/zinc/56/56/78/785565678.db2.gz LUDVJSVVTJJJNJ-UHFFFAOYSA-N 1 0 349.431 2.177 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000820503341 785962517 /nfs/dbraw/zinc/96/25/17/785962517.db2.gz GNMRAUAQTFQEDS-XJKSGUPXSA-N 1 0 346.431 2.360 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001107201080 786370958 /nfs/dbraw/zinc/37/09/58/786370958.db2.gz JETCFBNPAXGFNO-IHWYPQMZSA-N 1 0 332.404 2.083 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000910287570 786619835 /nfs/dbraw/zinc/61/98/35/786619835.db2.gz LHVARBZRPZBQAV-GFCCVEGCSA-N 1 0 339.367 2.055 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C1 ZINC000910291340 786651425 /nfs/dbraw/zinc/65/14/25/786651425.db2.gz CWFRZJUKUKAGCT-ZDUSSCGKSA-N 1 0 334.420 2.217 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001107471249 787331934 /nfs/dbraw/zinc/33/19/34/787331934.db2.gz QRFGLGHXISDLLP-PLNGDYQASA-N 1 0 346.431 2.329 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822863802 787441731 /nfs/dbraw/zinc/44/17/31/787441731.db2.gz UZEXVNZAWHSVCH-NEPJUHHUSA-N 1 0 332.360 2.433 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C(C)(C)[C@H]([NH3+])c2ccccc2)n1 ZINC000823089216 787561090 /nfs/dbraw/zinc/56/10/90/787561090.db2.gz RXLHTZCMEUYMPL-GFCCVEGCSA-N 1 0 342.359 2.356 20 5 EEBDRO COc1cc(Cc2noc([C@H](C)[C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145348 787566080 /nfs/dbraw/zinc/56/60/80/787566080.db2.gz GJUROFQFXIJCPP-BDAKNGLRSA-N 1 0 336.348 2.037 20 5 EEBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000824003032 787996819 /nfs/dbraw/zinc/99/68/19/787996819.db2.gz MFAZGKXYCCRVRR-NWDGAFQWSA-N 1 0 335.408 2.419 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000824847153 788336419 /nfs/dbraw/zinc/33/64/19/788336419.db2.gz WQTFYKHHTGISLI-HOCLYGCPSA-N 1 0 335.360 2.390 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379643 788600787 /nfs/dbraw/zinc/60/07/87/788600787.db2.gz REHBZZNNXBOPNO-CJNGLKHVSA-N 1 0 337.420 2.255 20 5 EEBDRO COc1nc(N2C[C@@H](CC[NH3+])c3ccccc32)nc(C)c1[N+](=O)[O-] ZINC001168545424 789090511 /nfs/dbraw/zinc/09/05/11/789090511.db2.gz OSTZZVHLCORGKO-LLVKDONJSA-N 1 0 329.360 2.286 20 5 EEBDRO COc1cc(Cc2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)ccc1[N+](=O)[O-] ZINC000844914080 789455094 /nfs/dbraw/zinc/45/50/94/789455094.db2.gz XMZUKGCQAZUMBE-NWDGAFQWSA-N 1 0 332.360 2.247 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncoc1C1CC1 ZINC001146678717 791424691 /nfs/dbraw/zinc/42/46/91/791424691.db2.gz RVTHEPWLPSJMND-UHFFFAOYSA-N 1 0 336.373 2.041 20 5 EEBDRO CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147139999 791728176 /nfs/dbraw/zinc/72/81/76/791728176.db2.gz NLUSKUWIABGCNL-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC[NH+](CC2CC2)CC1 ZINC001093852354 795733522 /nfs/dbraw/zinc/73/35/22/795733522.db2.gz GUTMMCHEMAFBIR-UHFFFAOYSA-N 1 0 346.431 2.245 20 5 EEBDRO Cc1cc(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001093889324 795767915 /nfs/dbraw/zinc/76/79/15/795767915.db2.gz ZUYGNCLHBCBRTI-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1F ZINC001173180145 797278523 /nfs/dbraw/zinc/27/85/23/797278523.db2.gz IRWVCXSJAAMSOI-SUNKGSAMSA-N 1 0 326.368 2.376 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001173222116 797303707 /nfs/dbraw/zinc/30/37/07/797303707.db2.gz UMBPGZJSHCURJQ-DZGCQCFKSA-N 1 0 327.388 2.184 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001173225525 797309758 /nfs/dbraw/zinc/30/97/58/797309758.db2.gz DHLQHKWTQPRLTN-IUODEOHRSA-N 1 0 327.388 2.499 20 5 EEBDRO Cc1cnc(NC2CCN(C(=O)CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095246179 797557800 /nfs/dbraw/zinc/55/78/00/797557800.db2.gz GHNFUCSDIRBNLN-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000786149541 806697122 /nfs/dbraw/zinc/69/71/22/806697122.db2.gz MRHPBGLIJMXUHE-UHFFFAOYSA-N 1 0 347.415 2.279 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2occc2[nH]1 ZINC001128495939 801201139 /nfs/dbraw/zinc/20/11/39/801201139.db2.gz OCSZSFWXQZXXOI-UHFFFAOYSA-N 1 0 328.328 2.189 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)on1 ZINC001086024091 801963893 /nfs/dbraw/zinc/96/38/93/801963893.db2.gz BZPGSGIOTVALFK-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCC1 ZINC001086319356 802734218 /nfs/dbraw/zinc/73/42/18/802734218.db2.gz BHIVIMQWUNAVTP-KOMQPUFPSA-N 1 0 345.399 2.274 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](F)C1 ZINC001168969115 803553213 /nfs/dbraw/zinc/55/32/13/803553213.db2.gz CLFKGFZVNYGXLC-XDQVBPFNSA-N 1 0 345.415 2.369 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1C(=O)OC(C)(C)C ZINC001168997372 803563478 /nfs/dbraw/zinc/56/34/78/803563478.db2.gz YXJFEUPUAZIVTD-YIYPIFLZSA-N 1 0 327.425 2.419 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)C1 ZINC001168999937 803565140 /nfs/dbraw/zinc/56/51/40/803565140.db2.gz WKYUCJHTBHVUMR-DLBZAZTESA-N 1 0 333.432 2.456 20 5 EEBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001169005866 803568158 /nfs/dbraw/zinc/56/81/58/803568158.db2.gz VESYTKLXCKMJFY-KYJSFNMBSA-N 1 0 345.443 2.258 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001169012882 803571289 /nfs/dbraw/zinc/57/12/89/803571289.db2.gz SKAHKVOUVDSLNC-RHYQMDGZSA-N 1 0 328.306 2.159 20 5 EEBDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169030250 803576923 /nfs/dbraw/zinc/57/69/23/803576923.db2.gz XHYLNPMNTJIXKJ-WVCIDPQESA-N 1 0 335.448 2.059 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2cc(CN3CC[NH2+]CC3)c3cccnc32)C1 ZINC001169036479 803579981 /nfs/dbraw/zinc/57/99/81/803579981.db2.gz OPZBXMXTFTXTNB-GOEBONIOSA-N 1 0 343.431 2.059 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)C1 ZINC001169037196 803580604 /nfs/dbraw/zinc/58/06/04/803580604.db2.gz RCAYFFBESWBSJF-KBPBESRZSA-N 1 0 329.404 2.064 20 5 EEBDRO O=C1NCC[C@]12C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@H]2c1ccccc1 ZINC001169026763 803592546 /nfs/dbraw/zinc/59/25/46/803592546.db2.gz NVPCAAMZRGGINN-LKCYJCQHSA-N 1 0 343.427 2.038 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170315964 809887339 /nfs/dbraw/zinc/88/73/39/809887339.db2.gz ZSEAWAQNMHVRQU-LBPRGKRZSA-N 1 0 329.356 2.402 20 5 EEBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170514021 812026907 /nfs/dbraw/zinc/02/69/07/812026907.db2.gz NGGRYIGKTBRDFH-UHFFFAOYSA-N 1 0 346.387 2.091 20 5 EEBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001130921833 812188795 /nfs/dbraw/zinc/18/87/95/812188795.db2.gz BNFPFYJYOQSHEJ-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000808190731 812505587 /nfs/dbraw/zinc/50/55/87/812505587.db2.gz IHRDZSLXJJHBRV-XJKSGUPXSA-N 1 0 329.404 2.461 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001524993043 1120253281 /nfs/dbraw/zinc/25/32/81/1120253281.db2.gz GGRFRIKOZLVQBC-KGLIPLIRSA-N 1 0 338.456 2.192 20 5 EEBDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000173965150 231084116 /nfs/dbraw/zinc/08/41/16/231084116.db2.gz ITRTVFVGLRUXRG-WFASDCNBSA-N 1 0 343.387 2.093 20 5 EEBDRO CN(C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000174248358 231159709 /nfs/dbraw/zinc/15/97/09/231159709.db2.gz ZNQPHMFNWQGJGW-UHFFFAOYSA-N 1 0 333.388 2.059 20 5 EEBDRO C[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000178151183 529891646 /nfs/dbraw/zinc/89/16/46/529891646.db2.gz XFHBMEHBTJMAON-UHFFFAOYSA-N 1 0 342.399 2.429 20 5 EEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266145862 535182958 /nfs/dbraw/zinc/18/29/58/535182958.db2.gz ISQXHOFKUOSUBE-MRXNPFEDSA-N 1 0 332.404 2.492 20 5 EEBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421857462 283354863 /nfs/dbraw/zinc/35/48/63/283354863.db2.gz OPMKEQRLYVYSMS-ZQDZILKHSA-N 1 0 349.435 2.156 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238003536 283478208 /nfs/dbraw/zinc/47/82/08/283478208.db2.gz CJPGOIQJUDRMSM-KWQFWETISA-N 1 0 342.193 2.215 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072823787 216311430 /nfs/dbraw/zinc/31/14/30/216311430.db2.gz MNBROLWELUJSEW-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072858307 216319113 /nfs/dbraw/zinc/31/91/13/216319113.db2.gz JCPAYZHHAICDFF-KBPBESRZSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414948911 238760163 /nfs/dbraw/zinc/76/01/63/238760163.db2.gz MVSNRTCMRMEPCJ-AWEZNQCLSA-N 1 0 344.318 2.399 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000132264997 223314118 /nfs/dbraw/zinc/31/41/18/223314118.db2.gz LZSBJJYMSFQKFA-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC(O)CC1)CCC2 ZINC000192722237 239852793 /nfs/dbraw/zinc/85/27/93/239852793.db2.gz BVRLAFPXPVGUDE-SFHVURJKSA-N 1 0 333.432 2.409 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422852914 240260405 /nfs/dbraw/zinc/26/04/05/240260405.db2.gz YELJPCMNRKQNDH-NEPJUHHUSA-N 1 0 328.372 2.342 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000424029660 240801960 /nfs/dbraw/zinc/80/19/60/240801960.db2.gz GAWPMTXMGKEQPL-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO Cc1nnsc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426325095 241256513 /nfs/dbraw/zinc/25/65/13/241256513.db2.gz TWCJKAVZXSJXSU-SECBINFHSA-N 1 0 335.389 2.262 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000445896404 242141383 /nfs/dbraw/zinc/14/13/83/242141383.db2.gz HZUSSOOEKUTQEK-WFASDCNBSA-N 1 0 332.404 2.145 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)o1 ZINC000447978974 242348640 /nfs/dbraw/zinc/34/86/40/242348640.db2.gz SGAKAVPRUBBHKA-RHSMWYFYSA-N 1 0 332.356 2.484 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2ncccc2F)n1 ZINC000447583553 242291639 /nfs/dbraw/zinc/29/16/39/242291639.db2.gz BWZLITLHZADTKL-ZIAGYGMSSA-N 1 0 349.366 2.478 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418790 243107249 /nfs/dbraw/zinc/10/72/49/243107249.db2.gz NBIGSGRACXRZHK-UAGQMJEPSA-N 1 0 347.415 2.467 20 5 EEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000451772515 243254016 /nfs/dbraw/zinc/25/40/16/243254016.db2.gz ASZFRKJVZJQUHK-GJZGRUSLSA-N 1 0 340.420 2.063 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000453397484 243444356 /nfs/dbraw/zinc/44/43/56/243444356.db2.gz JNDWDGHXWKRBDX-GFCCVEGCSA-N 1 0 343.387 2.243 20 5 EEBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000456281356 244205499 /nfs/dbraw/zinc/20/54/99/244205499.db2.gz QZZVKHDDWKJZDU-MRXNPFEDSA-N 1 0 343.387 2.369 20 5 EEBDRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187070574 296144872 /nfs/dbraw/zinc/14/48/72/296144872.db2.gz BGBYWCDGNRFGJT-NWDGAFQWSA-N 1 0 326.418 2.459 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1SC ZINC000262887620 245233746 /nfs/dbraw/zinc/23/37/46/245233746.db2.gz OEBNZIXMMRWMMW-UWVGGRQHSA-N 1 0 339.417 2.196 20 5 EEBDRO C[C@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000263335063 245394612 /nfs/dbraw/zinc/39/46/12/245394612.db2.gz VZXWMRHKSPYJIX-FSPWUOQZSA-N 1 0 330.384 2.382 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135634721 223596815 /nfs/dbraw/zinc/59/68/15/223596815.db2.gz RFNZPKSYRODEFA-UHFFFAOYSA-N 1 0 336.388 2.245 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158921919 296219335 /nfs/dbraw/zinc/21/93/35/296219335.db2.gz OUMARSZFQYIOIA-SFHVURJKSA-N 1 0 344.415 2.021 20 5 EEBDRO C[NH+](C)C/C=C\C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000493783227 246804453 /nfs/dbraw/zinc/80/44/53/246804453.db2.gz HHBAKJQYGDOSBS-ARJAWSKDSA-N 1 0 328.166 2.414 20 5 EEBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265282039 247369335 /nfs/dbraw/zinc/36/93/35/247369335.db2.gz ZLFUEVWPONMXFD-WBVHZDCISA-N 1 0 347.415 2.109 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000266316889 248243529 /nfs/dbraw/zinc/24/35/29/248243529.db2.gz FBKXPIVTCCPCEP-STQMWFEESA-N 1 0 330.388 2.034 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817432 218253039 /nfs/dbraw/zinc/25/30/39/218253039.db2.gz XTCLUBNPTCDQMB-WMHVBEDNSA-N 1 0 331.416 2.262 20 5 EEBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112380962 220316226 /nfs/dbraw/zinc/31/62/26/220316226.db2.gz RMPFMWVJEAZMEB-WBMJQRKESA-N 1 0 332.404 2.492 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000270452449 256136870 /nfs/dbraw/zinc/13/68/70/256136870.db2.gz LEWFAHVBHJTDCS-ZFWWWQNUSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000270999909 256197190 /nfs/dbraw/zinc/19/71/90/256197190.db2.gz YTNATIYQGWSCQK-SWLSCSKDSA-N 1 0 331.372 2.495 20 5 EEBDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000271734914 256238736 /nfs/dbraw/zinc/23/87/36/256238736.db2.gz TZAZTNYDEFOIRD-RDJZCZTQSA-N 1 0 332.404 2.448 20 5 EEBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000271753463 256240511 /nfs/dbraw/zinc/24/05/11/256240511.db2.gz CHFIXTCBQHUHBG-UHFFFAOYSA-N 1 0 327.182 2.426 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271188244 256217732 /nfs/dbraw/zinc/21/77/32/256217732.db2.gz ODOUEOIZXGKCRY-GXFFZTMASA-N 1 0 327.331 2.380 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CCCO)CC2)c2c(c1)COCO2 ZINC000273039408 256260258 /nfs/dbraw/zinc/26/02/58/256260258.db2.gz WMQVEOXYNUDPMF-UHFFFAOYSA-N 1 0 336.388 2.446 20 5 EEBDRO CCOc1cccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000273872897 256334281 /nfs/dbraw/zinc/33/42/81/256334281.db2.gz OYDOTWVCTRHZNE-TZMCWYRMSA-N 1 0 325.434 2.475 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273441209 256297179 /nfs/dbraw/zinc/29/71/79/256297179.db2.gz ZQEGERHQDSKHKN-LBPRGKRZSA-N 1 0 331.376 2.316 20 5 EEBDRO C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000359494059 153397357 /nfs/dbraw/zinc/39/73/57/153397357.db2.gz FDOIKQVTKUSGQM-LLVKDONJSA-N 1 0 349.366 2.234 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000363164212 153588055 /nfs/dbraw/zinc/58/80/55/153588055.db2.gz KAGHLJSJKUMLNP-DJIMGWMZSA-N 1 0 347.415 2.227 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368380395 153768079 /nfs/dbraw/zinc/76/80/79/153768079.db2.gz WFHJKOFCHPDOAR-FZMZJTMJSA-N 1 0 335.429 2.334 20 5 EEBDRO CCN(CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000128321213 292340330 /nfs/dbraw/zinc/34/03/30/292340330.db2.gz HKBREIFEMAWLNX-CYBMUJFWSA-N 1 0 343.449 2.225 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290853 159150910 /nfs/dbraw/zinc/15/09/10/159150910.db2.gz WPIRUCXSOHPBEA-OAHLLOKOSA-N 1 0 346.431 2.387 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842603 159368384 /nfs/dbraw/zinc/36/83/84/159368384.db2.gz SVSUTVUQFMGGDY-ZIAGYGMSSA-N 1 0 334.420 2.195 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411737 160233333 /nfs/dbraw/zinc/23/33/33/160233333.db2.gz YFKFNUYMWVZWCP-HOTGVXAUSA-N 1 0 335.452 2.378 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000245711791 160249893 /nfs/dbraw/zinc/24/98/93/160249893.db2.gz ZOGKDFBHFUOBDA-OCCSQVGLSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245738420 160250448 /nfs/dbraw/zinc/25/04/48/160250448.db2.gz VDXXWTIJQRLGJR-DZGCQCFKSA-N 1 0 331.372 2.423 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246442557 160278735 /nfs/dbraw/zinc/27/87/35/160278735.db2.gz BLLQKWVXHCBWGO-WWGRRREGSA-N 1 0 333.388 2.423 20 5 EEBDRO CSCC[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247246315 160317440 /nfs/dbraw/zinc/31/74/40/160317440.db2.gz ZQJWAORQBLOEBQ-GXTWGEPZSA-N 1 0 328.434 2.408 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340489433 160933898 /nfs/dbraw/zinc/93/38/98/160933898.db2.gz NCVREHAYDIUCKX-CABCVRRESA-N 1 0 330.392 2.206 20 5 EEBDRO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000343380243 161130270 /nfs/dbraw/zinc/13/02/70/161130270.db2.gz ASLFWHFAIKLBJJ-UKWDMRDTSA-N 1 0 328.372 2.461 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000346420572 161371116 /nfs/dbraw/zinc/37/11/16/161371116.db2.gz MSYDWVAGZJXYSG-UHFFFAOYSA-N 1 0 328.800 2.190 20 5 EEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352803242 162293919 /nfs/dbraw/zinc/29/39/19/162293919.db2.gz YGDXLWGCBKHDCT-GXFFZTMASA-N 1 0 339.417 2.273 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@H](COC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000353019333 162393912 /nfs/dbraw/zinc/39/39/12/162393912.db2.gz GGWQKHXEQNOASV-NSHDSACASA-N 1 0 343.330 2.485 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000353739167 162674550 /nfs/dbraw/zinc/67/45/50/162674550.db2.gz OQEKBOLXHIBHDV-UHFFFAOYSA-N 1 0 334.372 2.425 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353959583 162761662 /nfs/dbraw/zinc/76/16/62/162761662.db2.gz KNIWLOBYSHEZFC-QWRGUYRKSA-N 1 0 343.811 2.472 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2cccc(F)c2o1 ZINC000355736098 163285839 /nfs/dbraw/zinc/28/58/39/163285839.db2.gz WCTMRHSFUMYWTI-ZWNOBZJWSA-N 1 0 348.334 2.388 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000359778862 164169801 /nfs/dbraw/zinc/16/98/01/164169801.db2.gz RTKIYQWVXKCRDH-NSHDSACASA-N 1 0 333.392 2.321 20 5 EEBDRO C[N@@H+]1CCCC12CCN(C(=O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000368708898 166113219 /nfs/dbraw/zinc/11/32/19/166113219.db2.gz YIOHNWDMYAENLD-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375468975 167141328 /nfs/dbraw/zinc/14/13/28/167141328.db2.gz GRPZYSSHXKHYQC-SJORKVTESA-N 1 0 349.431 2.336 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000156199288 292552413 /nfs/dbraw/zinc/55/24/13/292552413.db2.gz ZUIFLUJHAQXPNP-MRXNPFEDSA-N 1 0 330.388 2.075 20 5 EEBDRO Cc1cc(C(=O)N(C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000159799189 225280661 /nfs/dbraw/zinc/28/06/61/225280661.db2.gz NIHZXFNYIOZJGS-UHFFFAOYSA-N 1 0 349.431 2.334 20 5 EEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122687823 222137606 /nfs/dbraw/zinc/13/76/06/222137606.db2.gz WSVGLLYKGZUYAY-UHFFFAOYSA-N 1 0 340.855 2.318 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000124218904 222393500 /nfs/dbraw/zinc/39/35/00/222393500.db2.gz ICEGBMGCFXCSAU-CYBMUJFWSA-N 1 0 334.420 2.275 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261882877 287569396 /nfs/dbraw/zinc/56/93/96/287569396.db2.gz UIUNHZNAOMUHKF-HIFRSBDPSA-N 1 0 346.431 2.394 20 5 EEBDRO CC(=O)c1ccc(N[C@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000274470661 269036241 /nfs/dbraw/zinc/03/62/41/269036241.db2.gz MHNXAOLYZDQAHE-CYBMUJFWSA-N 1 0 334.420 2.235 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000275175883 269101016 /nfs/dbraw/zinc/10/10/16/269101016.db2.gz CQTOWDAGYDEEMB-LLVKDONJSA-N 1 0 340.811 2.341 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277367527 269151133 /nfs/dbraw/zinc/15/11/33/269151133.db2.gz HKANTKYRFRLRST-KRWDZBQOSA-N 1 0 346.431 2.453 20 5 EEBDRO Cc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277658055 269168733 /nfs/dbraw/zinc/16/87/33/269168733.db2.gz NNVIMJIPEFERDF-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO Cc1cccc(CC2(O)CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000280340529 269353602 /nfs/dbraw/zinc/35/36/02/269353602.db2.gz IHBPIDJXKMIRKM-UHFFFAOYSA-N 1 0 344.415 2.169 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000280824228 269392531 /nfs/dbraw/zinc/39/25/31/269392531.db2.gz KHCNTJCVNUIDJY-DGCLKSJQSA-N 1 0 341.358 2.277 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266050113 274105512 /nfs/dbraw/zinc/10/55/12/274105512.db2.gz AKGLNAXNDMNWJV-MRXNPFEDSA-N 1 0 331.416 2.472 20 5 EEBDRO COc1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272811799 274183121 /nfs/dbraw/zinc/18/31/21/274183121.db2.gz JLZOWZRMKKJSBY-UHFFFAOYSA-N 1 0 336.392 2.457 20 5 EEBDRO CCS(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279149962 274438734 /nfs/dbraw/zinc/43/87/34/274438734.db2.gz SNSZJOCOZAIWDR-CQSZACIVSA-N 1 0 326.418 2.342 20 5 EEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000423642090 274638072 /nfs/dbraw/zinc/63/80/72/274638072.db2.gz HYQOJYSDAMYSEY-BONVTDFDSA-N 1 0 339.370 2.382 20 5 EEBDRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000490690765 275006827 /nfs/dbraw/zinc/00/68/27/275006827.db2.gz PDGOLZOKGFDTEC-XKQJLSEDSA-N 1 0 329.400 2.400 20 5 EEBDRO CCC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cccc([N+](=O)[O-])c1 ZINC000289602854 275131661 /nfs/dbraw/zinc/13/16/61/275131661.db2.gz CSSVLHRDFIQZAH-MRXNPFEDSA-N 1 0 333.392 2.200 20 5 EEBDRO Cc1c(CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000290731392 275234115 /nfs/dbraw/zinc/23/41/15/275234115.db2.gz XGHPVGDGSNMXLJ-MRXNPFEDSA-N 1 0 331.416 2.294 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292150480 275384812 /nfs/dbraw/zinc/38/48/12/275384812.db2.gz CFYIACCFYZSVCP-KRWDZBQOSA-N 1 0 330.388 2.012 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000338697404 277938176 /nfs/dbraw/zinc/93/81/76/277938176.db2.gz XLGGIYBOPDRKBW-GDBMZVCRSA-N 1 0 348.447 2.066 20 5 EEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236678620 277983203 /nfs/dbraw/zinc/98/32/03/277983203.db2.gz PDSSFEAKISAPFD-KRWDZBQOSA-N 1 0 334.420 2.298 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420406634 278214789 /nfs/dbraw/zinc/21/47/89/278214789.db2.gz RGYSEEACZKIEEM-GXTWGEPZSA-N 1 0 340.383 2.312 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376520812 279115534 /nfs/dbraw/zinc/11/55/34/279115534.db2.gz XINYDKVKIDVESZ-DGCLKSJQSA-N 1 0 347.371 2.022 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423492817 281258519 /nfs/dbraw/zinc/25/85/19/281258519.db2.gz ABZQLNMCIYQCOQ-LBPRGKRZSA-N 1 0 326.356 2.367 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000177474527 289298334 /nfs/dbraw/zinc/29/83/34/289298334.db2.gz ABFUMECSIZVIJO-ZIAGYGMSSA-N 1 0 334.420 2.386 20 5 EEBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1C ZINC000296841430 294080835 /nfs/dbraw/zinc/08/08/35/294080835.db2.gz DJZQUOGKCFCQNO-AGUYFDCRSA-N 1 0 333.388 2.267 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000296951708 294110638 /nfs/dbraw/zinc/11/06/38/294110638.db2.gz XWYICTBSFWSIQR-DTDBQYNISA-N 1 0 344.415 2.419 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175087015 302049751 /nfs/dbraw/zinc/04/97/51/302049751.db2.gz ZJLQIWBUVKUPQJ-QWHCGFSZSA-N 1 0 341.433 2.054 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449718116 303387054 /nfs/dbraw/zinc/38/70/54/303387054.db2.gz IZUXBHZZTMURIL-LBPRGKRZSA-N 1 0 348.325 2.183 20 5 EEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000192028456 303393527 /nfs/dbraw/zinc/39/35/27/303393527.db2.gz YSJDGCZVARUDDT-LLVKDONJSA-N 1 0 347.824 2.044 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(c2ccccn2)C1 ZINC000161403458 311365706 /nfs/dbraw/zinc/36/57/06/311365706.db2.gz WTLCZTOYJNQYJD-ZDUSSCGKSA-N 1 0 344.346 2.067 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000302839986 311553306 /nfs/dbraw/zinc/55/33/06/311553306.db2.gz ZTBRRFHQZMPPKJ-UHFFFAOYSA-N 1 0 338.364 2.057 20 5 EEBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NC1CCCC1 ZINC000331394329 311846663 /nfs/dbraw/zinc/84/66/63/311846663.db2.gz BOUSQZXCTHENTB-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO COc1cccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000332093959 311948381 /nfs/dbraw/zinc/94/83/81/311948381.db2.gz WNEZUCVZNFCEID-CHWSQXEVSA-N 1 0 333.388 2.302 20 5 EEBDRO COc1cccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000332523168 312019541 /nfs/dbraw/zinc/01/95/41/312019541.db2.gz ATZYVCJMPXTYAN-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357077774 312399437 /nfs/dbraw/zinc/39/94/37/312399437.db2.gz LAZKJXMFOSHXOL-UKRRQHHQSA-N 1 0 346.431 2.243 20 5 EEBDRO Cc1ccc(NC(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414669215 313060105 /nfs/dbraw/zinc/06/01/05/313060105.db2.gz ZLFNDIPNDWGDNW-UHFFFAOYSA-N 1 0 336.392 2.265 20 5 EEBDRO COc1cc(CNCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414798078 313091869 /nfs/dbraw/zinc/09/18/69/313091869.db2.gz DNHJNSRTMZRVNR-UHFFFAOYSA-N 1 0 333.335 2.074 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414950508 313113913 /nfs/dbraw/zinc/11/39/13/313113913.db2.gz ORUQSFULKVCYAL-MRVPVSSYSA-N 1 0 330.291 2.151 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415489155 313130240 /nfs/dbraw/zinc/13/02/40/313130240.db2.gz WOGHQWOJDISWLG-DGCLKSJQSA-N 1 0 336.392 2.446 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415490945 313131515 /nfs/dbraw/zinc/13/15/15/313131515.db2.gz AUNHKFTVKOBYIG-DRZSPHRISA-N 1 0 334.376 2.195 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416500204 313239081 /nfs/dbraw/zinc/23/90/81/313239081.db2.gz GBEXCVLAJXUMAV-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417726639 313577929 /nfs/dbraw/zinc/57/79/29/313577929.db2.gz MVGMPVDYKQPAOL-HZPDHXFCSA-N 1 0 346.431 2.168 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CC[NH2+]CC1 ZINC000418091032 313710407 /nfs/dbraw/zinc/71/04/07/313710407.db2.gz OZHDFXZYSRVLHO-UHFFFAOYSA-N 1 0 346.309 2.165 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418659443 313873852 /nfs/dbraw/zinc/87/38/52/313873852.db2.gz LVSPSIBVGRLJNB-DLBZAZTESA-N 1 0 346.431 2.167 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000496715121 316236111 /nfs/dbraw/zinc/23/61/11/316236111.db2.gz WAEWGHQNWXHLAB-GFCCVEGCSA-N 1 0 346.387 2.448 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000543840284 318175470 /nfs/dbraw/zinc/17/54/70/318175470.db2.gz RRBAJVFGHSVBNY-CQSZACIVSA-N 1 0 335.404 2.373 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000565670254 319203255 /nfs/dbraw/zinc/20/32/55/319203255.db2.gz HWZZCZQQLFTZSJ-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000575356057 320102719 /nfs/dbraw/zinc/10/27/19/320102719.db2.gz ULOYIXZVNMOYQR-HNNXBMFYSA-N 1 0 346.383 2.441 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@H]1CCCCO1 ZINC000575742606 320109830 /nfs/dbraw/zinc/10/98/30/320109830.db2.gz NWXYVVKHORHEMB-HUUCEWRRSA-N 1 0 338.404 2.273 20 5 EEBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000575759267 320112420 /nfs/dbraw/zinc/11/24/20/320112420.db2.gz NEXTYKLVXHNXJC-UHFFFAOYSA-N 1 0 325.384 2.059 20 5 EEBDRO CCc1ccnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000576629816 320189935 /nfs/dbraw/zinc/18/99/35/320189935.db2.gz GXZZXTYXBXYANP-INIZCTEOSA-N 1 0 331.372 2.082 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000578435565 320314059 /nfs/dbraw/zinc/31/40/59/320314059.db2.gz HOPNGSXOSCFGCW-AWEZNQCLSA-N 1 0 338.310 2.403 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000181312566 323343686 /nfs/dbraw/zinc/34/36/86/323343686.db2.gz CYOFFXJSWGURND-GFCCVEGCSA-N 1 0 349.309 2.087 20 5 EEBDRO C[C@H](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183113316 323398981 /nfs/dbraw/zinc/39/89/81/323398981.db2.gz FAVNMAOZNRPTNG-OAHLLOKOSA-N 1 0 348.447 2.412 20 5 EEBDRO CNc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000581684660 324302903 /nfs/dbraw/zinc/30/29/03/324302903.db2.gz XGBTTYXPOYHYQK-DVOMOZLQSA-N 1 0 346.431 2.439 20 5 EEBDRO C[C@]1(C[NH3+])CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000581727134 324311846 /nfs/dbraw/zinc/31/18/46/324311846.db2.gz JOGJTJHKRGSYGT-GOSISDBHSA-N 1 0 346.431 2.009 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000341277644 465089007 /nfs/dbraw/zinc/08/90/07/465089007.db2.gz MFXOEVJKFUVJFN-NFAWXSAZSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000341277643 465089499 /nfs/dbraw/zinc/08/94/99/465089499.db2.gz MFXOEVJKFUVJFN-IPYPFGDCSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1c(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358549646 465187330 /nfs/dbraw/zinc/18/73/30/465187330.db2.gz ZHIHERJCWMQRRU-ZDUSSCGKSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1c(CNC(=O)NCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000358563160 465193633 /nfs/dbraw/zinc/19/36/33/465193633.db2.gz PUFIJEQNZRYCCV-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO CC[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112926545 462555840 /nfs/dbraw/zinc/55/58/40/462555840.db2.gz NWJIDDVTDJSKQS-SNVBAGLBSA-N 1 0 329.784 2.083 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000127824249 462586035 /nfs/dbraw/zinc/58/60/35/462586035.db2.gz JAKLAEYTTYVNJT-ZDUSSCGKSA-N 1 0 335.404 2.273 20 5 EEBDRO O=C(CCN1CC[NH+](C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000045768858 462616170 /nfs/dbraw/zinc/61/61/70/462616170.db2.gz FGKQIOKYUDSEAW-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO Nc1c(C(=O)NCCC[NH+]2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000063681109 462661501 /nfs/dbraw/zinc/66/15/01/462661501.db2.gz FONIFCXEFOXDOB-UHFFFAOYSA-N 1 0 338.383 2.312 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(CCOC4)C3)o2)cc1 ZINC000153908722 462708007 /nfs/dbraw/zinc/70/80/07/462708007.db2.gz BSXGKNMAOOYEPM-MRXNPFEDSA-N 1 0 330.344 2.257 20 5 EEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000064995123 462731961 /nfs/dbraw/zinc/73/19/61/462731961.db2.gz ASHMTOFZPSHGCV-CZUORRHYSA-N 1 0 349.431 2.266 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089907918 462739762 /nfs/dbraw/zinc/73/97/62/462739762.db2.gz JVOVAMPRNNHHTE-LLVKDONJSA-N 1 0 332.360 2.064 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000091084317 462833573 /nfs/dbraw/zinc/83/35/73/462833573.db2.gz ZIKHHINEPJHYTN-UHFFFAOYSA-N 1 0 329.347 2.246 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CCCCC1 ZINC000065867515 462834955 /nfs/dbraw/zinc/83/49/55/462834955.db2.gz PLIAVLMJVALGDP-UHFFFAOYSA-N 1 0 330.388 2.152 20 5 EEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156088669 462976705 /nfs/dbraw/zinc/97/67/05/462976705.db2.gz SYIDRGMAXNZUKY-KWQFWETISA-N 1 0 342.193 2.309 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000068261409 463113160 /nfs/dbraw/zinc/11/31/60/463113160.db2.gz HCOKJCWUNICJED-UHFFFAOYSA-N 1 0 337.424 2.265 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000078494583 463122067 /nfs/dbraw/zinc/12/20/67/463122067.db2.gz JYFKXRKOGNTMLD-SFHVURJKSA-N 1 0 327.384 2.426 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068442674 463138054 /nfs/dbraw/zinc/13/80/54/463138054.db2.gz CIPDAZUGJBRBGR-UHFFFAOYSA-N 1 0 345.403 2.465 20 5 EEBDRO CN(CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080118347 463284832 /nfs/dbraw/zinc/28/48/32/463284832.db2.gz KHTGSFCZOBLRSK-OAHLLOKOSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@@H]1OCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000139131973 463318821 /nfs/dbraw/zinc/31/88/21/463318821.db2.gz FETOONMJVQPQHY-RYUDHWBXSA-N 1 0 335.360 2.002 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000160830559 463374892 /nfs/dbraw/zinc/37/48/92/463374892.db2.gz JNKCXZDWQNMDBP-IUCAKERBSA-N 1 0 342.193 2.357 20 5 EEBDRO O=C(NCC[NH2+]C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151593324 463558428 /nfs/dbraw/zinc/55/84/28/463558428.db2.gz VDWPSYHHNYPYMK-UHFFFAOYSA-N 1 0 332.385 2.200 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346280 463599359 /nfs/dbraw/zinc/59/93/59/463599359.db2.gz IWXXOUHUTUZSLB-CQSZACIVSA-N 1 0 334.420 2.245 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000112080310 463690273 /nfs/dbraw/zinc/69/02/73/463690273.db2.gz VXSKOHCKWFVCQT-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO Nc1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000286872577 463729545 /nfs/dbraw/zinc/72/95/45/463729545.db2.gz NOXAKXUKYXQVMB-MRXNPFEDSA-N 1 0 342.399 2.356 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261723533 463840904 /nfs/dbraw/zinc/84/09/04/463840904.db2.gz QYBMLYBACIRLTD-QGZVFWFLSA-N 1 0 325.368 2.141 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269002553 463842784 /nfs/dbraw/zinc/84/27/84/463842784.db2.gz ZPAVOBKIDDGHJB-HOTGVXAUSA-N 1 0 346.431 2.263 20 5 EEBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277051637 463858225 /nfs/dbraw/zinc/85/82/25/463858225.db2.gz LUFPUWGXIWNCPS-IUCAKERBSA-N 1 0 348.325 2.125 20 5 EEBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185749990 463873758 /nfs/dbraw/zinc/87/37/58/463873758.db2.gz JFFBWIPRIBRSEE-UHFFFAOYSA-N 1 0 349.435 2.347 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CC[NH+](C)CC1 ZINC000269347639 463961113 /nfs/dbraw/zinc/96/11/13/463961113.db2.gz IQGQPHYDTFCETH-UHFFFAOYSA-N 1 0 325.340 2.417 20 5 EEBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000278728159 463978118 /nfs/dbraw/zinc/97/81/18/463978118.db2.gz ANRFVXBMXIJPGD-OAHLLOKOSA-N 1 0 337.420 2.016 20 5 EEBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262430991 464023454 /nfs/dbraw/zinc/02/34/54/464023454.db2.gz DYRMWMWBGSMNHW-UHFFFAOYSA-N 1 0 343.383 2.351 20 5 EEBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279153695 464045641 /nfs/dbraw/zinc/04/56/41/464045641.db2.gz ASWVAVPVRYFUFU-GWCFXTLKSA-N 1 0 341.795 2.327 20 5 EEBDRO Cc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000269907303 464125188 /nfs/dbraw/zinc/12/51/88/464125188.db2.gz HHCUQLHARSYNEL-FUHWJXTLSA-N 1 0 330.384 2.477 20 5 EEBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263700485 464158758 /nfs/dbraw/zinc/15/87/58/464158758.db2.gz IMJXICNVWVMMFE-OAHLLOKOSA-N 1 0 349.431 2.458 20 5 EEBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2C1 ZINC000179769517 464184894 /nfs/dbraw/zinc/18/48/94/464184894.db2.gz DCWOVESXIDKCOS-UHFFFAOYSA-N 1 0 343.387 2.402 20 5 EEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188246575 464236019 /nfs/dbraw/zinc/23/60/19/464236019.db2.gz ZWGJRRBCXCPRLC-UHFFFAOYSA-N 1 0 343.449 2.337 20 5 EEBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270915631 464270045 /nfs/dbraw/zinc/27/00/45/464270045.db2.gz OLAXLPNPMMMKMW-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180548455 464335375 /nfs/dbraw/zinc/33/53/75/464335375.db2.gz VWTVHWDLEKVPRK-SECBINFHSA-N 1 0 342.193 2.181 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237881825 464395744 /nfs/dbraw/zinc/39/57/44/464395744.db2.gz LHHHXXXDNCXFMM-CQSZACIVSA-N 1 0 346.431 2.315 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000343054820 465473497 /nfs/dbraw/zinc/47/34/97/465473497.db2.gz PYTPODLEHUZWPM-CQSZACIVSA-N 1 0 345.403 2.776 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCC[NH2+]C1 ZINC000238151131 464435939 /nfs/dbraw/zinc/43/59/39/464435939.db2.gz QYMNRYZAFVQPKI-CQSZACIVSA-N 1 0 335.407 2.023 20 5 EEBDRO O=C(C[N@@H+](CCO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264736985 464443777 /nfs/dbraw/zinc/44/37/77/464443777.db2.gz RCACMANMRFXSPP-UHFFFAOYSA-N 1 0 347.415 2.111 20 5 EEBDRO Cc1cc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000272150033 464497073 /nfs/dbraw/zinc/49/70/73/464497073.db2.gz ZVFXBOFHAOWDBH-RDJZCZTQSA-N 1 0 348.378 2.341 20 5 EEBDRO CC(C)N1CC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000175281324 464518505 /nfs/dbraw/zinc/51/85/05/464518505.db2.gz WXVFCDCAUSZBPW-QGZVFWFLSA-N 1 0 347.415 2.447 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272223013 464524961 /nfs/dbraw/zinc/52/49/61/464524961.db2.gz AHEWJEBPOWKBAL-NSHDSACASA-N 1 0 349.387 2.126 20 5 EEBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000285517077 464593439 /nfs/dbraw/zinc/59/34/39/464593439.db2.gz NYPKIDKXSRINDL-OAHLLOKOSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285664019 464648293 /nfs/dbraw/zinc/64/82/93/464648293.db2.gz FMKGQGGBTLDUHI-KBPBESRZSA-N 1 0 333.388 2.059 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176524451 464793278 /nfs/dbraw/zinc/79/32/78/464793278.db2.gz ZBVPYDJOGCSSQG-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295416680 464823996 /nfs/dbraw/zinc/82/39/96/464823996.db2.gz UUMQWALNTZSDPR-GOSISDBHSA-N 1 0 345.399 2.112 20 5 EEBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000286288333 464869499 /nfs/dbraw/zinc/86/94/99/464869499.db2.gz RROATKHCGLFARY-UHFFFAOYSA-N 1 0 347.463 2.172 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000266923988 464872613 /nfs/dbraw/zinc/87/26/13/464872613.db2.gz LURMEKUBHCFRLC-GFCCVEGCSA-N 1 0 345.403 2.267 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286325496 464881822 /nfs/dbraw/zinc/88/18/22/464881822.db2.gz DOSWDBLLSBPVML-GVSKICRLSA-N 1 0 345.399 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298737111 465489695 /nfs/dbraw/zinc/48/96/95/465489695.db2.gz NCGXTJBAKCNCSW-JSGCOSHPSA-N 1 0 334.376 2.352 20 5 EEBDRO CNC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286461722 464925960 /nfs/dbraw/zinc/92/59/60/464925960.db2.gz VADXQWZCQCWJFT-TZMCWYRMSA-N 1 0 332.404 2.017 20 5 EEBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184486034 464982902 /nfs/dbraw/zinc/98/29/02/464982902.db2.gz YKOWXLFCILDNGR-UHFFFAOYSA-N 1 0 348.428 2.443 20 5 EEBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599986097 468429029 /nfs/dbraw/zinc/42/90/29/468429029.db2.gz NTEGGAQMXDVXNO-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593914531 468431725 /nfs/dbraw/zinc/43/17/25/468431725.db2.gz CZISWEDVQDIQHT-OCCSQVGLSA-N 1 0 335.404 2.122 20 5 EEBDRO [NH3+][C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000591275508 468435480 /nfs/dbraw/zinc/43/54/80/468435480.db2.gz NPYRKLLHKMLFLA-CQSZACIVSA-N 1 0 329.356 2.156 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340141033 465805842 /nfs/dbraw/zinc/80/58/42/465805842.db2.gz HPFOXQDOSOUBOA-LSDHHAIUSA-N 1 0 332.404 2.063 20 5 EEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000362543729 465818687 /nfs/dbraw/zinc/81/86/87/465818687.db2.gz VYZTXJLXDYGFMP-CXAGYDPISA-N 1 0 346.431 2.391 20 5 EEBDRO CNc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361212121 465840236 /nfs/dbraw/zinc/84/02/36/465840236.db2.gz SMPVLYLQFDEYOS-CYBMUJFWSA-N 1 0 332.404 2.194 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591360589 468459831 /nfs/dbraw/zinc/45/98/31/468459831.db2.gz NCMHGCOJLUHXDD-AWEZNQCLSA-N 1 0 332.404 2.411 20 5 EEBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301260090 465931705 /nfs/dbraw/zinc/93/17/05/465931705.db2.gz FVZOIKKRWHRJOZ-LBPRGKRZSA-N 1 0 328.800 2.148 20 5 EEBDRO CN(C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349118021 465980369 /nfs/dbraw/zinc/98/03/69/465980369.db2.gz AYQSMNDCVAMPGY-CJNGLKHVSA-N 1 0 343.387 2.083 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000338298942 465996861 /nfs/dbraw/zinc/99/68/61/465996861.db2.gz DUOVOITVVMWWPH-NWDGAFQWSA-N 1 0 337.376 2.019 20 5 EEBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019737 466080029 /nfs/dbraw/zinc/08/00/29/466080029.db2.gz NGZXOBHGDCLBHT-ZIAGYGMSSA-N 1 0 344.415 2.343 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331451753 466091618 /nfs/dbraw/zinc/09/16/18/466091618.db2.gz OWQPPBYOJNTXIV-CYBMUJFWSA-N 1 0 349.435 2.389 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302169048 466110253 /nfs/dbraw/zinc/11/02/53/466110253.db2.gz SYGMNWITWSKXQK-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCCC1 ZINC000331514897 466118024 /nfs/dbraw/zinc/11/80/24/466118024.db2.gz FGZRNSFOSYNPJA-ZYHUDNBSSA-N 1 0 341.458 2.308 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000346798007 466161079 /nfs/dbraw/zinc/16/10/79/466161079.db2.gz PDNIGLBZVDBVQS-DZGCQCFKSA-N 1 0 340.445 2.473 20 5 EEBDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000363049628 466194636 /nfs/dbraw/zinc/19/46/36/466194636.db2.gz OCWZDUDPFRXXPW-IRXDYDNUSA-N 1 0 330.388 2.298 20 5 EEBDRO Cc1c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000372163316 466198025 /nfs/dbraw/zinc/19/80/25/466198025.db2.gz OZYDDADLLSJCQN-KBRIMQKVSA-N 1 0 347.415 2.227 20 5 EEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000331711249 466209678 /nfs/dbraw/zinc/20/96/78/466209678.db2.gz KYISTRYLAGQLRV-UHFFFAOYSA-N 1 0 345.403 2.323 20 5 EEBDRO CC(=O)c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000367264472 466226070 /nfs/dbraw/zinc/22/60/70/466226070.db2.gz MZPAXFGKOXKKNI-HNNXBMFYSA-N 1 0 333.388 2.463 20 5 EEBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000361769345 466271353 /nfs/dbraw/zinc/27/13/53/466271353.db2.gz TXOWSLCCZQONBH-UKRRQHHQSA-N 1 0 349.387 2.440 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000372592472 466492132 /nfs/dbraw/zinc/49/21/32/466492132.db2.gz UTWRULXXYICCRL-PIIMJCKOSA-N 1 0 337.379 2.455 20 5 EEBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000358152505 466498566 /nfs/dbraw/zinc/49/85/66/466498566.db2.gz CIBVSLDCLRSLKS-QGZVFWFLSA-N 1 0 331.372 2.011 20 5 EEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347250438 466508956 /nfs/dbraw/zinc/50/89/56/466508956.db2.gz NWJDTAADTTYYAA-GXTWGEPZSA-N 1 0 328.372 2.488 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000358221371 466551407 /nfs/dbraw/zinc/55/14/07/466551407.db2.gz LVQWOKXQISVENN-CYBMUJFWSA-N 1 0 349.412 2.224 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341082808 466569160 /nfs/dbraw/zinc/56/91/60/466569160.db2.gz AEPFHBFTDYRJKC-INIZCTEOSA-N 1 0 332.404 2.365 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CC1(C)C ZINC000591678132 468500946 /nfs/dbraw/zinc/50/09/46/468500946.db2.gz KEVSUSHATUZAOY-JTQLQIEISA-N 1 0 341.795 2.226 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591673373 468501178 /nfs/dbraw/zinc/50/11/78/468501178.db2.gz RTQVQONZPFTKKF-PWSUYJOCSA-N 1 0 327.331 2.325 20 5 EEBDRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000323756763 466640859 /nfs/dbraw/zinc/64/08/59/466640859.db2.gz VYTXKMWRDYBVRL-NOZJJQNGSA-N 1 0 331.294 2.314 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000368482469 466646987 /nfs/dbraw/zinc/64/69/87/466646987.db2.gz NESHZGAGUSZDNP-OSAQELSMSA-N 1 0 337.807 2.377 20 5 EEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000363919329 466654109 /nfs/dbraw/zinc/65/41/09/466654109.db2.gz JNUMFWSATWJOQW-HNNXBMFYSA-N 1 0 336.411 2.339 20 5 EEBDRO Cc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000373247671 466742394 /nfs/dbraw/zinc/74/23/94/466742394.db2.gz RYWRZDGCUSUECU-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EEBDRO CCc1ccc([C@@H](NC[C@H]2C[NH2+]CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580225 466777466 /nfs/dbraw/zinc/77/74/66/466777466.db2.gz XKVPUZHCZAHKFQ-AEFFLSMTSA-N 1 0 345.399 2.418 20 5 EEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423598122 466780339 /nfs/dbraw/zinc/78/03/39/466780339.db2.gz VTJBSVONSVEDJR-GXSJLCMTSA-N 1 0 343.836 2.455 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCn3cncc3C1)CC2 ZINC000370313411 466833344 /nfs/dbraw/zinc/83/33/44/466833344.db2.gz AFIOVCBRMNFEQD-ZDUSSCGKSA-N 1 0 326.356 2.251 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000411765270 466896232 /nfs/dbraw/zinc/89/62/32/466896232.db2.gz JJGVHIJYWUYQJR-QGZVFWFLSA-N 1 0 349.387 2.187 20 5 EEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423973556 466933671 /nfs/dbraw/zinc/93/36/71/466933671.db2.gz JWNKMVVXNIFIIZ-KRWDZBQOSA-N 1 0 343.383 2.352 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000417843293 466953591 /nfs/dbraw/zinc/95/35/91/466953591.db2.gz GXZPORUURCBHPX-GXSJLCMTSA-N 1 0 330.335 2.246 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412005264 466966093 /nfs/dbraw/zinc/96/60/93/466966093.db2.gz FKGUCPUFTNCNKV-DLBZAZTESA-N 1 0 331.416 2.499 20 5 EEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000424075164 466972919 /nfs/dbraw/zinc/97/29/19/466972919.db2.gz OZWIRGRQAUMQEY-MJVIPROJSA-N 1 0 335.404 2.357 20 5 EEBDRO Cc1nn(C)c(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000370736914 466984377 /nfs/dbraw/zinc/98/43/77/466984377.db2.gz BTQZPXGZXKDWEK-FICVDOATSA-N 1 0 327.388 2.179 20 5 EEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418096492 467043914 /nfs/dbraw/zinc/04/39/14/467043914.db2.gz XIIVGFWLJGWEBO-SECBINFHSA-N 1 0 346.309 2.117 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000377595660 467093403 /nfs/dbraw/zinc/09/34/03/467093403.db2.gz QPBKBNIXZALVKO-CYBMUJFWSA-N 1 0 333.388 2.364 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418406445 467106099 /nfs/dbraw/zinc/10/60/99/467106099.db2.gz DYUMLDTTXDCGPM-GJZGRUSLSA-N 1 0 334.420 2.296 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413158975 467180764 /nfs/dbraw/zinc/18/07/64/467180764.db2.gz WOVKQRMKODHCSA-KRWDZBQOSA-N 1 0 346.362 2.178 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000378236658 467237709 /nfs/dbraw/zinc/23/77/09/467237709.db2.gz PHQWLKPSNIYDOW-MCIONIFRSA-N 1 0 333.388 2.280 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451080275 467241998 /nfs/dbraw/zinc/24/19/98/467241998.db2.gz BNFNLKVTDGKDKQ-UONOGXRCSA-N 1 0 346.431 2.338 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]C2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000428637225 467254454 /nfs/dbraw/zinc/25/44/54/467254454.db2.gz CSKRDBGDTMSANY-UHFFFAOYSA-N 1 0 330.287 2.034 20 5 EEBDRO Cc1nn(C)c(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000413527159 467260022 /nfs/dbraw/zinc/26/00/22/467260022.db2.gz AJASCJBNUPKPQD-CYBMUJFWSA-N 1 0 329.404 2.347 20 5 EEBDRO Cc1nn(C)c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000413527162 467260791 /nfs/dbraw/zinc/26/07/91/467260791.db2.gz AJASCJBNUPKPQD-ZDUSSCGKSA-N 1 0 329.404 2.347 20 5 EEBDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429314172 467324135 /nfs/dbraw/zinc/32/41/35/467324135.db2.gz HPEOKAOWWGBOAH-RISCZKNCSA-N 1 0 341.367 2.384 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420255076 467330461 /nfs/dbraw/zinc/33/04/61/467330461.db2.gz HBGOYEKVPSGMAJ-VXGBXAGGSA-N 1 0 328.372 2.197 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420278894 467336659 /nfs/dbraw/zinc/33/66/59/467336659.db2.gz WMIMGJWEXQSDNC-NSHDSACASA-N 1 0 340.811 2.118 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000382430049 467376097 /nfs/dbraw/zinc/37/60/97/467376097.db2.gz PNHDPBZWKLRXCY-GZMMTYOYSA-N 1 0 342.193 2.215 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420363807 467378519 /nfs/dbraw/zinc/37/85/19/467378519.db2.gz JUYWJEHHCJCJGT-HFAKWTLXSA-N 1 0 331.376 2.121 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420368442 467381607 /nfs/dbraw/zinc/38/16/07/467381607.db2.gz AQTLLYRSYKFCNN-XJKSGUPXSA-N 1 0 344.419 2.352 20 5 EEBDRO Cc1c(NC(=O)CCN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420381195 467386064 /nfs/dbraw/zinc/38/60/64/467386064.db2.gz ZAEHVLAUVVTJBI-BTJLNZGRSA-N 1 0 334.420 2.208 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430602467 467449055 /nfs/dbraw/zinc/44/90/55/467449055.db2.gz LFHQCVOXBYEFTQ-KBPBESRZSA-N 1 0 334.420 2.162 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1C ZINC000431014533 467487281 /nfs/dbraw/zinc/48/72/81/467487281.db2.gz KDCQRURGUFVOPO-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447529711 467587761 /nfs/dbraw/zinc/58/77/61/467587761.db2.gz MHXKWNHGNKRGRG-CABCVRRESA-N 1 0 349.435 2.267 20 5 EEBDRO CNc1nc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454709292 467611251 /nfs/dbraw/zinc/61/12/51/467611251.db2.gz HKXGCERQVZQUBS-RYUDHWBXSA-N 1 0 335.408 2.024 20 5 EEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000449388185 467635904 /nfs/dbraw/zinc/63/59/04/467635904.db2.gz OLMJEGBEKCJEDT-AWEZNQCLSA-N 1 0 327.812 2.185 20 5 EEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449723301 467700143 /nfs/dbraw/zinc/70/01/43/467700143.db2.gz XBXJOUCYFQHIRT-WCBMZHEXSA-N 1 0 342.193 2.215 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000458591684 467863491 /nfs/dbraw/zinc/86/34/91/467863491.db2.gz SKFPNFTXOOBNRY-HNNXBMFYSA-N 1 0 334.420 2.168 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000497203373 467883181 /nfs/dbraw/zinc/88/31/81/467883181.db2.gz RJYITOOIIURDOU-RYUDHWBXSA-N 1 0 334.376 2.481 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000514678084 467948171 /nfs/dbraw/zinc/94/81/71/467948171.db2.gz OBTPPVJNPMOOKA-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000514707071 467948999 /nfs/dbraw/zinc/94/89/99/467948999.db2.gz WNPXESNQMOELPG-IINYFYTJSA-N 1 0 326.418 2.340 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690140 467964819 /nfs/dbraw/zinc/96/48/19/467964819.db2.gz YQZAUMCCHXFPGZ-NUTKFTJISA-N 1 0 335.404 2.371 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488001882 468066134 /nfs/dbraw/zinc/06/61/34/468066134.db2.gz VQCLVVPWMWDKNG-HNNXBMFYSA-N 1 0 334.420 2.114 20 5 EEBDRO Nc1c(F)c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000518397622 468114302 /nfs/dbraw/zinc/11/43/02/468114302.db2.gz UOONCYVPIZFXLC-GFCCVEGCSA-N 1 0 338.383 2.007 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000548889068 468153888 /nfs/dbraw/zinc/15/38/88/468153888.db2.gz KUPPNPWVGBLBBC-HNNXBMFYSA-N 1 0 334.420 2.121 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000533194349 468178367 /nfs/dbraw/zinc/17/83/67/468178367.db2.gz ORIYTENOIUIYNQ-HIFRSBDPSA-N 1 0 332.404 2.193 20 5 EEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000534517929 468261002 /nfs/dbraw/zinc/26/10/02/468261002.db2.gz RSKSRHKJNLWJEZ-CZUORRHYSA-N 1 0 346.431 2.391 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594234478 468523897 /nfs/dbraw/zinc/52/38/97/468523897.db2.gz XJHQUKMSTKJFIM-RDJZCZTQSA-N 1 0 346.431 2.453 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000569724329 468534983 /nfs/dbraw/zinc/53/49/83/468534983.db2.gz VBKSDHZFVVWRNY-NWDGAFQWSA-N 1 0 339.417 2.015 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000594433693 468584924 /nfs/dbraw/zinc/58/49/24/468584924.db2.gz QTYGLLBDZSRGOL-KSSFIOAISA-N 1 0 346.431 2.211 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c2c(c1)COCO2 ZINC000570298470 468619948 /nfs/dbraw/zinc/61/99/48/468619948.db2.gz MYURDDYXNICBMG-HWWQOWPSSA-N 1 0 334.372 2.054 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000597713684 468647774 /nfs/dbraw/zinc/64/77/74/468647774.db2.gz FOTBYFRKQMBKSC-SFHVURJKSA-N 1 0 347.415 2.308 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592255457 468666117 /nfs/dbraw/zinc/66/61/17/468666117.db2.gz PSQMWIVZOJPAPI-QWHCGFSZSA-N 1 0 349.435 2.122 20 5 EEBDRO Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600962228 468698131 /nfs/dbraw/zinc/69/81/31/468698131.db2.gz BMOYAGUHZNAOAS-OKILXGFUSA-N 1 0 325.372 2.301 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554077 468729192 /nfs/dbraw/zinc/72/91/92/468729192.db2.gz BRRAKALUKHQLNQ-CABCVRRESA-N 1 0 346.431 2.245 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+](C)C)cc1OC ZINC000597995898 468734453 /nfs/dbraw/zinc/73/44/53/468734453.db2.gz HBAGYWDQKWHWGN-NSHDSACASA-N 1 0 339.392 2.072 20 5 EEBDRO Cn1cc(C[NH2+]C[C@@H](CO)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594984376 468738208 /nfs/dbraw/zinc/73/82/08/468738208.db2.gz UHTOFDNXSNFNAA-AWEZNQCLSA-N 1 0 344.415 2.494 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000601131598 468755411 /nfs/dbraw/zinc/75/54/11/468755411.db2.gz NEXMOUOOXRHQOW-OAHLLOKOSA-N 1 0 342.399 2.230 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222202 468787683 /nfs/dbraw/zinc/78/76/83/468787683.db2.gz UEOQNGZIZLINMS-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000584182735 468816185 /nfs/dbraw/zinc/81/61/85/468816185.db2.gz JMIPZOCSYLXFLR-RDJZCZTQSA-N 1 0 347.415 2.055 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058776 468855868 /nfs/dbraw/zinc/85/58/68/468855868.db2.gz OJUSVFIBCMDXJD-RBSFLKMASA-N 1 0 338.404 2.224 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCCC1 ZINC000593111052 468874817 /nfs/dbraw/zinc/87/48/17/468874817.db2.gz BYYZJPGDPPEMRD-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598598438 468927579 /nfs/dbraw/zinc/92/75/79/468927579.db2.gz RSXGGEDUMYIBEZ-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO C[NH2+]C1(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCC1 ZINC000598632487 468939755 /nfs/dbraw/zinc/93/97/55/468939755.db2.gz DPIIFJNEFNHMID-UHFFFAOYSA-N 1 0 343.387 2.113 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598652434 468946413 /nfs/dbraw/zinc/94/64/13/468946413.db2.gz YZPZEHXBXIDGLP-OCCSQVGLSA-N 1 0 335.404 2.182 20 5 EEBDRO CCN1C[C@@H](C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)Oc2ccccc21 ZINC000610447492 468970871 /nfs/dbraw/zinc/97/08/71/468970871.db2.gz LYQVCNGEJJXDDP-OAHLLOKOSA-N 1 0 345.403 2.011 20 5 EEBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602626791 468974808 /nfs/dbraw/zinc/97/48/08/468974808.db2.gz PZDDAZZVEWXUGS-DLBZAZTESA-N 1 0 330.388 2.381 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1=CCCOC1 ZINC000595754571 468991051 /nfs/dbraw/zinc/99/10/51/468991051.db2.gz XXXDQIAEZYJSTO-UHFFFAOYSA-N 1 0 349.387 2.211 20 5 EEBDRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCO ZINC000602663079 468995433 /nfs/dbraw/zinc/99/54/33/468995433.db2.gz IBIHIFGBVQEFPE-UHFFFAOYSA-N 1 0 336.310 2.491 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000614712670 469026258 /nfs/dbraw/zinc/02/62/58/469026258.db2.gz PPDNJOAFIGLODO-HUUCEWRRSA-N 1 0 344.371 2.061 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000602777771 469067200 /nfs/dbraw/zinc/06/72/00/469067200.db2.gz LKXMDXQHGABSQD-INIZCTEOSA-N 1 0 330.388 2.082 20 5 EEBDRO [NH3+]CC1(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593708317 469104623 /nfs/dbraw/zinc/10/46/23/469104623.db2.gz NGEXCELCVFOTFF-UHFFFAOYSA-N 1 0 340.811 2.219 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(c3ccccc3)C2)c1 ZINC000601966329 469116673 /nfs/dbraw/zinc/11/66/73/469116673.db2.gz ZTKIYWNCRZBRMB-QGZVFWFLSA-N 1 0 328.368 2.434 20 5 EEBDRO COc1cc(NCCC[NH+]2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000596088194 469148806 /nfs/dbraw/zinc/14/88/06/469148806.db2.gz ZWGUGSPEGVPWMP-UHFFFAOYSA-N 1 0 327.356 2.001 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091928 469151807 /nfs/dbraw/zinc/15/18/07/469151807.db2.gz PUUIMQWFRGGFCJ-NSHDSACASA-N 1 0 328.372 2.222 20 5 EEBDRO CN(CCCC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611151096 469174707 /nfs/dbraw/zinc/17/47/07/469174707.db2.gz ONYMEINUNASYMF-UHFFFAOYSA-N 1 0 332.404 2.419 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000611155062 469176090 /nfs/dbraw/zinc/17/60/90/469176090.db2.gz SYSMPWOMAWSXNC-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000596152725 469176420 /nfs/dbraw/zinc/17/64/20/469176420.db2.gz NYXLLJABZMFSBJ-ZDUSSCGKSA-N 1 0 335.795 2.940 20 5 EEBDRO COCC1([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000611179139 469184187 /nfs/dbraw/zinc/18/41/87/469184187.db2.gz SHBBPWCFFLJOOU-UHFFFAOYSA-N 1 0 335.360 2.004 20 5 EEBDRO COc1ccc(CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000573719470 469193575 /nfs/dbraw/zinc/19/35/75/469193575.db2.gz QTKLCEKGDOVDHI-UHFFFAOYSA-N 1 0 347.415 2.137 20 5 EEBDRO CC(C)[N@@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249339 469208287 /nfs/dbraw/zinc/20/82/87/469208287.db2.gz NKLYTMFQCQPAMS-UHFFFAOYSA-N 1 0 335.404 2.282 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)OCCO2 ZINC000611261556 469212606 /nfs/dbraw/zinc/21/26/06/469212606.db2.gz YYRAIZYPTZZMDW-LBPRGKRZSA-N 1 0 344.371 2.469 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599480906 469271435 /nfs/dbraw/zinc/27/14/35/469271435.db2.gz QMZNYFQNWYBGIH-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602427794 469312063 /nfs/dbraw/zinc/31/20/63/469312063.db2.gz BPIXCKVATHTNPC-SECBINFHSA-N 1 0 342.193 2.087 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000599628818 469315367 /nfs/dbraw/zinc/31/53/67/469315367.db2.gz HRPWHVKUDZCCQX-DYVFJYSZSA-N 1 0 345.355 2.194 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615878656 469333292 /nfs/dbraw/zinc/33/32/92/469333292.db2.gz FTUNTLGLNJKCDC-BETUJISGSA-N 1 0 333.388 2.057 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000602527576 469350593 /nfs/dbraw/zinc/35/05/93/469350593.db2.gz QRKLEYKRSLFBCL-ZDUSSCGKSA-N 1 0 347.337 2.160 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)c(Br)c1 ZINC000603418655 469389172 /nfs/dbraw/zinc/38/91/72/469389172.db2.gz IRFMDQKYBWIMGE-MRVPVSSYSA-N 1 0 332.223 2.474 20 5 EEBDRO COc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603847984 469436018 /nfs/dbraw/zinc/43/60/18/469436018.db2.gz IQXJCXOKRAIDMC-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO Cc1nn(C)c(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1[N+](=O)[O-] ZINC000612955107 469589904 /nfs/dbraw/zinc/58/99/04/469589904.db2.gz UIXDLSDZQBDWEU-FGWVZKOKSA-N 1 0 332.364 2.027 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000619531700 469633258 /nfs/dbraw/zinc/63/32/58/469633258.db2.gz AROSBPHBGCTSSJ-INIZCTEOSA-N 1 0 335.404 2.340 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC12CCC[NH+]1CCC2 ZINC000619574113 469641842 /nfs/dbraw/zinc/64/18/42/469641842.db2.gz QKRKPDWQBJKNGI-UHFFFAOYSA-N 1 0 342.399 2.363 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386055 469924830 /nfs/dbraw/zinc/92/48/30/469924830.db2.gz JWMUUEPPURICOI-HIFRSBDPSA-N 1 0 334.420 2.384 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc3ccccc3c2)c1 ZINC000610335823 470004859 /nfs/dbraw/zinc/00/48/59/470004859.db2.gz OHTFSGHSAVFCRU-GOSISDBHSA-N 1 0 340.383 2.138 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000187367684 533894515 /nfs/dbraw/zinc/89/45/15/533894515.db2.gz HQXIEXYIPQJPAV-CQSZACIVSA-N 1 0 332.356 2.002 20 5 EEBDRO Cc1c(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000183940773 533913246 /nfs/dbraw/zinc/91/32/46/533913246.db2.gz VQPHNMBABQJZCX-CYBMUJFWSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000132829347 534325599 /nfs/dbraw/zinc/32/55/99/534325599.db2.gz SLGWDQRNDVVTOC-GOEBONIOSA-N 1 0 334.420 2.478 20 5 EEBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)[C@@H]1OC ZINC000191399041 529108181 /nfs/dbraw/zinc/10/81/81/529108181.db2.gz VJEIVHASTCTOQL-WQVCFCJDSA-N 1 0 337.420 2.186 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000264206128 535525302 /nfs/dbraw/zinc/52/53/02/535525302.db2.gz SBQIZWCYRZKEHX-UHFFFAOYSA-N 1 0 329.422 2.087 20 5 EEBDRO COc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000449941286 536512149 /nfs/dbraw/zinc/51/21/49/536512149.db2.gz VQKXLMKPJZCKIR-SNVBAGLBSA-N 1 0 341.383 2.449 20 5 EEBDRO CC[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032341 577020056 /nfs/dbraw/zinc/02/00/56/577020056.db2.gz IUCUUMKEYPREAH-ZDUSSCGKSA-N 1 0 337.376 2.197 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)sc2c1 ZINC000731209927 577086703 /nfs/dbraw/zinc/08/67/03/577086703.db2.gz FECKPYBFHIHZFR-UONOGXRCSA-N 1 0 348.428 2.240 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000773067295 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O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc2c1 ZINC001160737200 1320253315 /nfs/dbraw/zinc/25/33/15/1320253315.db2.gz OOOKCMMRMYBMMQ-VHSXEESVSA-N 1 0 341.293 2.490 20 5 EEBDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001161119499 1320391985 /nfs/dbraw/zinc/39/19/85/1320391985.db2.gz AIWVFTMGDHJLDS-UHFFFAOYSA-N 1 0 335.408 2.064 20 5 EEBDRO CCc1cnccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161496049 1320517779 /nfs/dbraw/zinc/51/77/79/1320517779.db2.gz USKAZOJBBHTWDW-UHFFFAOYSA-N 1 0 342.399 2.462 20 5 EEBDRO CC1(C)C[NH2+]C[C@H](CNc2ccc(-c3ccccc3[N+](=O)[O-])nn2)O1 ZINC001161956849 1320694092 /nfs/dbraw/zinc/69/40/92/1320694092.db2.gz UCMOFQWOAAWDCO-GFCCVEGCSA-N 1 0 343.387 2.231 20 5 EEBDRO COc1cc(NCC2(c3cccnc3)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001162036915 1320729093 /nfs/dbraw/zinc/72/90/93/1320729093.db2.gz UTZBPYJDDBOKGK-UHFFFAOYSA-N 1 0 343.387 2.127 20 5 EEBDRO COCCC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC001162047188 1320731304 /nfs/dbraw/zinc/73/13/04/1320731304.db2.gz ZNCAEULQYKMEFP-UHFFFAOYSA-N 1 0 338.408 2.111 20 5 EEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162794452 1320960235 /nfs/dbraw/zinc/96/02/35/1320960235.db2.gz PGLOAYBPTJZPOU-OVYXKVPISA-N 1 0 330.722 2.056 20 5 EEBDRO COc1cc(C)nc(Nc2ccc([C@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163053646 1321024367 /nfs/dbraw/zinc/02/43/67/1321024367.db2.gz TVLNEMASQAYBEJ-GFCCVEGCSA-N 1 0 332.360 2.085 20 5 EEBDRO COc1ccc([N+](=O)[O-])nc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163056316 1321024943 /nfs/dbraw/zinc/02/49/43/1321024943.db2.gz DETRGNFJDJJFDD-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1cnc2cccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)n21 ZINC001163064598 1321026931 /nfs/dbraw/zinc/02/69/31/1321026931.db2.gz FMRUMJDOSNPJCS-ZDUSSCGKSA-N 1 0 340.387 2.266 20 5 EEBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1F ZINC001163285856 1321088205 /nfs/dbraw/zinc/08/82/05/1321088205.db2.gz WYTTVPWFOMAKBM-BZNIZROVSA-N 1 0 339.367 2.313 20 5 EEBDRO COc1ccc(NCc2cccnc2C2CC[NH2+]CC2)nc1[N+](=O)[O-] ZINC001163905519 1321244815 /nfs/dbraw/zinc/24/48/15/1321244815.db2.gz TXYZIXLQXPENTJ-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(-n3cnc4c3C[NH2+]CC4)nn2)ccc1F ZINC001164317289 1321349473 /nfs/dbraw/zinc/34/94/73/1321349473.db2.gz QIVGEHFCKFKBHC-UHFFFAOYSA-N 1 0 340.318 2.022 20 5 EEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001262361229 1322288236 /nfs/dbraw/zinc/28/82/36/1322288236.db2.gz GESJVLQWMNKPHH-GFCCVEGCSA-N 1 0 330.392 2.361 20 5 EEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263239525 1322447211 /nfs/dbraw/zinc/44/72/11/1322447211.db2.gz OAQHGZKJUMCSPY-XMTFNYHQSA-N 1 0 337.379 2.439 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001307176140 1329075818 /nfs/dbraw/zinc/07/58/18/1329075818.db2.gz WVWUNYGAGRJNKF-LLVKDONJSA-N 1 0 345.359 2.369 20 5 EEBDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)c1[N+](=O)[O-] ZINC001308943288 1331609345 /nfs/dbraw/zinc/60/93/45/1331609345.db2.gz PLYLVQCAXGSJBV-UHFFFAOYSA-N 1 0 342.355 2.486 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609167044 1351872681 /nfs/dbraw/zinc/87/26/81/1351872681.db2.gz YPTBGBNXYDBGOG-NWDGAFQWSA-N 1 0 345.407 2.307 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001326515619 1334108049 /nfs/dbraw/zinc/10/80/49/1334108049.db2.gz IDGFWHSGUPXMQS-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO COC[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319586 1351931819 /nfs/dbraw/zinc/93/18/19/1351931819.db2.gz GZTJIDOQDXRHIB-GFCCVEGCSA-N 1 0 346.391 2.023 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001329499309 1334663068 /nfs/dbraw/zinc/66/30/68/1334663068.db2.gz SBFWMKDWFJBERM-ZDUSSCGKSA-N 1 0 332.404 2.098 20 5 EEBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001336617855 1336570778 /nfs/dbraw/zinc/57/07/78/1336570778.db2.gz TVWDFZJLRSPIPK-ZDUSSCGKSA-N 1 0 343.305 2.438 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001338424965 1336859414 /nfs/dbraw/zinc/85/94/14/1336859414.db2.gz USOUGJQYBZVFNW-UHFFFAOYSA-N 1 0 349.431 2.479 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1 ZINC001338553298 1336875791 /nfs/dbraw/zinc/87/57/91/1336875791.db2.gz ZYPDVBKNRXYENI-GOEBONIOSA-N 1 0 332.331 2.361 20 5 EEBDRO Cc1c(-c2nnc(N3CC[N@H+](C)C(C)(C)C3)n2C)cccc1[N+](=O)[O-] ZINC001339627982 1337040476 /nfs/dbraw/zinc/04/04/76/1337040476.db2.gz GABUDGVRQNWIID-UHFFFAOYSA-N 1 0 344.419 2.229 20 5 EEBDRO [NH3+]CCc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001353322902 1338237905 /nfs/dbraw/zinc/23/79/05/1338237905.db2.gz BNYJNUMDAMWFIH-UHFFFAOYSA-N 1 0 325.368 2.295 20 5 EEBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001575670811 1343851670 /nfs/dbraw/zinc/85/16/70/1343851670.db2.gz OOUOMUKLLSOQEM-SWLSCSKDSA-N 1 0 344.419 2.293 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001577307702 1344126115 /nfs/dbraw/zinc/12/61/15/1344126115.db2.gz GUWKSSQJTSVCSE-KOLCDFICSA-N 1 0 329.759 2.392 20 5 EEBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001579608965 1344399897 /nfs/dbraw/zinc/39/98/97/1344399897.db2.gz WBUMEUWPLJYWIJ-UHFFFAOYSA-N 1 0 330.319 2.335 20 5 EEBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]([NH3+])C(C)C ZINC001579903816 1344430764 /nfs/dbraw/zinc/43/07/64/1344430764.db2.gz ZXWOHEFGKQCGEE-HNNXBMFYSA-N 1 0 346.435 2.157 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001580262167 1344503005 /nfs/dbraw/zinc/50/30/05/1344503005.db2.gz PUTUUGZHKGVUOE-DGCLKSJQSA-N 1 0 349.387 2.003 20 5 EEBDRO C[C@@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589972503 1349087471 /nfs/dbraw/zinc/08/74/71/1349087471.db2.gz HHPDPAHTPRXBFD-SNVBAGLBSA-N 1 0 325.332 2.021 20 5 EEBDRO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCCC[NH+]1CCCCC1 ZINC001593489259 1349817096 /nfs/dbraw/zinc/81/70/96/1349817096.db2.gz YIFHEKVTWJTSKO-UHFFFAOYSA-N 1 0 337.409 2.124 20 5 EEBDRO CC[N@H+]1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC001604347381 1350921081 /nfs/dbraw/zinc/92/10/81/1350921081.db2.gz JCXDKGUPHHNUML-TXEJJXNPSA-N 1 0 345.407 2.002 20 5 EEBDRO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605734673 1351220121 /nfs/dbraw/zinc/22/01/21/1351220121.db2.gz KJQGSQKSMXCOKP-NSHDSACASA-N 1 0 345.407 2.227 20 5 EEBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815625562 1368051499 /nfs/dbraw/zinc/05/14/99/1368051499.db2.gz HCRYMJFRSTYQOT-NSHDSACASA-N 1 0 336.392 2.306 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1OC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686232053 1369768178 /nfs/dbraw/zinc/76/81/78/1369768178.db2.gz VTHLQRBLAVRPME-VIFPVBQESA-N 1 0 343.177 2.257 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCOC1 ZINC000782530210 1371308509 /nfs/dbraw/zinc/30/85/09/1371308509.db2.gz IHEMWNYEJIWBDM-NEPJUHHUSA-N 1 0 339.367 2.467 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC001356535907 1373201974 /nfs/dbraw/zinc/20/19/74/1373201974.db2.gz YNYVDHAXMAKMKN-SFHVURJKSA-N 1 0 329.400 2.177 20 5 EEBDRO CCc1oncc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753067449 1406662752 /nfs/dbraw/zinc/66/27/52/1406662752.db2.gz FKLSNRLOUXMVBQ-UHFFFAOYSA-N 1 0 332.360 2.007 20 5 EEBDRO CCC1([NH3+])CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001577225877 1403627732 /nfs/dbraw/zinc/62/77/32/1403627732.db2.gz JBYRPUGDACKEAO-UHFFFAOYSA-N 1 0 330.388 2.279 20 5 EEBDRO CN(C)/C=C/c1cc(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001165042864 721936510 /nfs/dbraw/zinc/93/65/10/721936510.db2.gz MSCKABPLQFSRPL-BQYQJAHWSA-N 1 0 333.436 2.300 20 5 EEBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000817297270 784663233 /nfs/dbraw/zinc/66/32/33/784663233.db2.gz PFQJYPDQFIZDOI-LLVKDONJSA-N 1 0 339.348 2.177 20 5 EEBDRO CC1(C)CC(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)C1 ZINC001035705790 784987795 /nfs/dbraw/zinc/98/77/95/784987795.db2.gz BSFUEIXYTDAMGB-HUUCEWRRSA-N 1 0 335.448 2.012 20 5 EEBDRO COc1nc(C)cc(C)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819011698 785362616 /nfs/dbraw/zinc/36/26/16/785362616.db2.gz WMUHKEZAOASPET-MRXNPFEDSA-N 1 0 331.372 2.438 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000819059281 785380061 /nfs/dbraw/zinc/38/00/61/785380061.db2.gz FEEJRPFMQQFQQH-DVOMOZLQSA-N 1 0 335.404 2.007 20 5 EEBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000819177179 785449399 /nfs/dbraw/zinc/44/93/99/785449399.db2.gz LBTRATFXYXYGFE-MRXNPFEDSA-N 1 0 332.356 2.175 20 5 EEBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819236586 785463074 /nfs/dbraw/zinc/46/30/74/785463074.db2.gz KOPGMDSUCMLLPP-RISCZKNCSA-N 1 0 339.392 2.131 20 5 EEBDRO Cn1nc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819241013 785463548 /nfs/dbraw/zinc/46/35/48/785463548.db2.gz FZVAKSWJPYKQGQ-GOSISDBHSA-N 1 0 340.383 2.347 20 5 EEBDRO C[S@](=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819309513 785495258 /nfs/dbraw/zinc/49/52/58/785495258.db2.gz ASTNCLOLEISSLS-OSPHWJPCSA-N 1 0 348.424 2.297 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1nc(C)ccc1[N+](=O)[O-] ZINC001107277241 786691941 /nfs/dbraw/zinc/69/19/41/786691941.db2.gz YZSYEFZDLKSTTN-AATRIKPKSA-N 1 0 349.435 2.114 20 5 EEBDRO C[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000823594060 787823037 /nfs/dbraw/zinc/82/30/37/787823037.db2.gz OMBRMWCZAMKTMU-HQJQHLMTSA-N 1 0 337.273 2.404 20 5 EEBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923433107 789545233 /nfs/dbraw/zinc/54/52/33/789545233.db2.gz NKIOBRIPGUFHOE-KZULUSFZSA-N 1 0 345.374 2.405 20 5 EEBDRO Cc1c(NC(=O)CCN2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000923440214 789565245 /nfs/dbraw/zinc/56/52/45/789565245.db2.gz GBJDLPSZYCFPDY-BNOWGMLFSA-N 1 0 334.420 2.303 20 5 EEBDRO Cc1ncsc1CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146302451 791185241 /nfs/dbraw/zinc/18/52/41/791185241.db2.gz XKBLFLHRIPZDKE-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO COc1ccc(NCc2ccccc2N2CC[NH2+]CC2)nc1[N+](=O)[O-] ZINC001171283043 791437011 /nfs/dbraw/zinc/43/70/11/791437011.db2.gz JSERVCPUGXMDNH-UHFFFAOYSA-N 1 0 343.387 2.020 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1csc(Cl)n1 ZINC001146813575 791500668 /nfs/dbraw/zinc/50/06/68/791500668.db2.gz GPWDCRMQXCDCSD-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO Cc1nc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094700401 796540811 /nfs/dbraw/zinc/54/08/11/796540811.db2.gz OWLYMABXJPMYLJ-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CN(C1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)[C@@H]1CCOC1 ZINC001172916977 797148880 /nfs/dbraw/zinc/14/88/80/797148880.db2.gz VBOVTWSWTAIVLC-SJLPKXTDSA-N 1 0 345.443 2.247 20 5 EEBDRO O=C1CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCN12 ZINC001172912550 797170878 /nfs/dbraw/zinc/17/08/78/797170878.db2.gz BPHFMCLEBCCHFL-NVXWUHKLSA-N 1 0 329.400 2.149 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CN(c3cnccn3)C1)CC2 ZINC001172913536 797172174 /nfs/dbraw/zinc/17/21/74/797172174.db2.gz WUFRSARMLQWQLP-HNNXBMFYSA-N 1 0 339.399 2.111 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c(F)c1 ZINC001173009602 797195250 /nfs/dbraw/zinc/19/52/50/797195250.db2.gz FEYGRDWPMDOXCQ-ZDUSSCGKSA-N 1 0 341.358 2.299 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[N@H+](C)CC2)c1F ZINC001173183607 797280172 /nfs/dbraw/zinc/28/01/72/797280172.db2.gz IFKWUWWOQRWSPQ-LBPRGKRZSA-N 1 0 325.384 2.311 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccc(C(N)=O)cc1 ZINC001173218789 797299252 /nfs/dbraw/zinc/29/92/52/797299252.db2.gz MDILNHQVHLTVQM-CYBMUJFWSA-N 1 0 343.383 2.293 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)n1 ZINC000785856273 806614046 /nfs/dbraw/zinc/61/40/46/806614046.db2.gz JUWSODNQTNMQOZ-HNNXBMFYSA-N 1 0 334.351 2.301 20 5 EEBDRO O=C(CCCn1cccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176795557 798566624 /nfs/dbraw/zinc/56/66/24/798566624.db2.gz QEGUSVDTQHHEEZ-UHFFFAOYSA-N 1 0 344.415 2.473 20 5 EEBDRO CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177314083 798853713 /nfs/dbraw/zinc/85/37/13/798853713.db2.gz ZSFMXBWHSNLSIY-HZPDHXFCSA-N 1 0 325.453 2.450 20 5 EEBDRO C[NH+](C)C[C@H]1COCCN1c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001154968107 800886307 /nfs/dbraw/zinc/88/63/07/800886307.db2.gz MOZHQBFCPYYVFJ-QMMMGPOBSA-N 1 0 335.191 2.063 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083045 802111589 /nfs/dbraw/zinc/11/15/89/802111589.db2.gz LTZWHGBTBCKZQH-WXYCVUISSA-N 1 0 343.383 2.082 20 5 EEBDRO Cc1cc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])cc1Br ZINC001168953181 803536260 /nfs/dbraw/zinc/53/62/60/803536260.db2.gz USIBKLBKZJSKGE-UHFFFAOYSA-N 1 0 325.166 2.353 20 5 EEBDRO O=C(CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168992756 803559981 /nfs/dbraw/zinc/55/99/81/803559981.db2.gz KNMAGLRUUQMMQO-CRAIPNDOSA-N 1 0 345.443 2.369 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN1C(=O)OC(C)(C)C ZINC001168997375 803563561 /nfs/dbraw/zinc/56/35/61/803563561.db2.gz YXJFEUPUAZIVTD-ZOBORPQBSA-N 1 0 327.425 2.419 20 5 EEBDRO O=C1CCc2cc(N3CC[NH+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)ccc21 ZINC001169054485 803597183 /nfs/dbraw/zinc/59/71/83/803597183.db2.gz MGMWHCQWVKTVRD-ZBFHGGJFSA-N 1 0 343.427 2.383 20 5 EEBDRO CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)C[C@](C)(C[NH3+])C1 ZINC001169137981 803629958 /nfs/dbraw/zinc/62/99/58/803629958.db2.gz NHRGGTLDDHSPDB-HWPZZCPQSA-N 1 0 335.408 2.044 20 5 EEBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001169242903 803667070 /nfs/dbraw/zinc/66/70/70/803667070.db2.gz ZQUXGUCLYHHUGV-UHFFFAOYSA-N 1 0 326.360 2.378 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787591910 807150884 /nfs/dbraw/zinc/15/08/84/807150884.db2.gz AHYQMWQNVKBGHE-UHFFFAOYSA-N 1 0 349.435 2.221 20 5 EEBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCO1 ZINC000788619110 807609271 /nfs/dbraw/zinc/60/92/71/807609271.db2.gz LIBWDPYTQAEDKD-ROUUACIJSA-N 1 0 349.431 2.347 20 5 EEBDRO CCN(C)C(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788982910 807787806 /nfs/dbraw/zinc/78/78/06/807787806.db2.gz JTKNDJVFDJCYKM-ZDUSSCGKSA-N 1 0 334.420 2.020 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000186752978 529902951 /nfs/dbraw/zinc/90/29/51/529902951.db2.gz GQPWGZBPIOZSDU-UHFFFAOYSA-N 1 0 346.431 2.361 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068008124 215269523 /nfs/dbraw/zinc/26/95/23/215269523.db2.gz VTAHEORYQLNUAK-GFCCVEGCSA-N 1 0 345.403 2.465 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000068554649 215319055 /nfs/dbraw/zinc/31/90/55/215319055.db2.gz SOZHTQPXFSAQTK-AWEZNQCLSA-N 1 0 331.376 2.171 20 5 EEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000183336148 235015424 /nfs/dbraw/zinc/01/54/24/235015424.db2.gz WRVZWFFGDLCBSC-BBRMVZONSA-N 1 0 337.420 2.423 20 5 EEBDRO C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C[NH3+])C1 ZINC000420332436 239751756 /nfs/dbraw/zinc/75/17/56/239751756.db2.gz JNXVIVAZGAUWGO-RISCZKNCSA-N 1 0 331.376 2.204 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000193302633 240098022 /nfs/dbraw/zinc/09/80/22/240098022.db2.gz SIPPISKANWCUFC-ZDUSSCGKSA-N 1 0 343.449 2.206 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193723232 240282636 /nfs/dbraw/zinc/28/26/36/240282636.db2.gz HLLDQYOXOWBOLH-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000132967617 223377815 /nfs/dbraw/zinc/37/78/15/223377815.db2.gz LQQGHPNHHSJGGI-LBPRGKRZSA-N 1 0 332.198 2.082 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000229582883 242181148 /nfs/dbraw/zinc/18/11/48/242181148.db2.gz RILDTGRCCQCXHU-PELKAZGASA-N 1 0 342.193 2.228 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449650729 242585215 /nfs/dbraw/zinc/58/52/15/242585215.db2.gz USDOEIIJCWAFCR-QWHCGFSZSA-N 1 0 343.387 2.028 20 5 EEBDRO CC1(C)C[C@@H](O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451816473 243277213 /nfs/dbraw/zinc/27/72/13/243277213.db2.gz XGFLHDGIXWFXCL-HOTGVXAUSA-N 1 0 347.415 2.183 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000456566418 244289018 /nfs/dbraw/zinc/28/90/18/244289018.db2.gz YQBUCXBCYGDLLB-AWEZNQCLSA-N 1 0 344.415 2.492 20 5 EEBDRO O=[N+]([O-])c1cccnc1N1CCN(CCOCC2CCCC2)CC1 ZINC000459513162 245150222 /nfs/dbraw/zinc/15/02/22/245150222.db2.gz RFCJJSIZIJEMIU-UHFFFAOYSA-N 1 0 334.420 2.319 20 5 EEBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740664 245232301 /nfs/dbraw/zinc/23/23/01/245232301.db2.gz BMBGORQRGGLULP-GJZGRUSLSA-N 1 0 333.388 2.389 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459740665 245233022 /nfs/dbraw/zinc/23/30/22/245233022.db2.gz BMBGORQRGGLULP-HUUCEWRRSA-N 1 0 333.388 2.389 20 5 EEBDRO CCc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471664718 245388617 /nfs/dbraw/zinc/38/86/17/245388617.db2.gz AUNCDYAPLCLDQO-ZIAGYGMSSA-N 1 0 349.431 2.386 20 5 EEBDRO CCOc1cc(C[NH+]2CCC(CCC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000492603589 246533295 /nfs/dbraw/zinc/53/32/95/246533295.db2.gz BGKQRYUFTHYHHH-UHFFFAOYSA-N 1 0 335.404 2.471 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCCC[NH3+])cc1OC ZINC000495143012 247074717 /nfs/dbraw/zinc/07/47/17/247074717.db2.gz UKBBTZFXLVKCFK-NSHDSACASA-N 1 0 339.392 2.249 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265088533 247192058 /nfs/dbraw/zinc/19/20/58/247192058.db2.gz SIVRBWJLXSBLIB-SNVBAGLBSA-N 1 0 337.767 2.062 20 5 EEBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265048229 247161334 /nfs/dbraw/zinc/16/13/34/247161334.db2.gz PDLZDTBYFFQEJM-DLBZAZTESA-N 1 0 347.415 2.109 20 5 EEBDRO COC1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265266901 247353956 /nfs/dbraw/zinc/35/39/56/247353956.db2.gz ZPJBBNKMKHGXRS-SIWZUTFBSA-N 1 0 338.404 2.224 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000347247124 284662695 /nfs/dbraw/zinc/66/26/95/284662695.db2.gz YIZSJAKOYVKZBD-CYBMUJFWSA-N 1 0 332.404 2.396 20 5 EEBDRO COc1cc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000093614797 218236714 /nfs/dbraw/zinc/23/67/14/218236714.db2.gz GVJXXRMUPPCZES-UONOGXRCSA-N 1 0 335.404 2.281 20 5 EEBDRO CCOc1cccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000096011595 218513577 /nfs/dbraw/zinc/51/35/77/218513577.db2.gz DKNOMPPUFACKEX-AWEZNQCLSA-N 1 0 335.404 2.152 20 5 EEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062984522 285083859 /nfs/dbraw/zinc/08/38/59/285083859.db2.gz NKWGCAMUKUQDAC-NSHDSACASA-N 1 0 341.209 2.427 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000112583905 220352064 /nfs/dbraw/zinc/35/20/64/220352064.db2.gz PRUBJPBGCPRHLZ-CQSZACIVSA-N 1 0 335.404 2.469 20 5 EEBDRO COCC1=CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000189592433 533160474 /nfs/dbraw/zinc/16/04/74/533160474.db2.gz MOTKQUPZTMPKIW-UHFFFAOYSA-N 1 0 337.351 2.341 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000268033925 256106666 /nfs/dbraw/zinc/10/66/66/256106666.db2.gz MEEOSLVKEIMADJ-INIZCTEOSA-N 1 0 337.445 2.081 20 5 EEBDRO C[N@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000119027878 221226435 /nfs/dbraw/zinc/22/64/35/221226435.db2.gz HIPIPTBMSCWQIV-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO[C@H]1C1CC1 ZINC000273043698 256259826 /nfs/dbraw/zinc/25/98/26/256259826.db2.gz IZWTWSPCQJAEIE-ZWKOTPCHSA-N 1 0 345.399 2.031 20 5 EEBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273044516 256259987 /nfs/dbraw/zinc/25/99/87/256259987.db2.gz PSBYNTHBGRJIMW-SNVBAGLBSA-N 1 0 332.385 2.058 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000273096899 256264928 /nfs/dbraw/zinc/26/49/28/256264928.db2.gz UUBOUAOSPIPOPW-DLBZAZTESA-N 1 0 333.388 2.389 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273837799 256331803 /nfs/dbraw/zinc/33/18/03/256331803.db2.gz IPCBNVCHHXUNNN-UHFFFAOYSA-N 1 0 335.379 2.390 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000277163237 256502893 /nfs/dbraw/zinc/50/28/93/256502893.db2.gz LXIRXEZJPNAPHG-ZDUSSCGKSA-N 1 0 332.404 2.400 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000181643157 533346719 /nfs/dbraw/zinc/34/67/19/533346719.db2.gz HXFBFBCKXCFIKM-GFCCVEGCSA-N 1 0 326.356 2.230 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000191090569 152238765 /nfs/dbraw/zinc/23/87/65/152238765.db2.gz AVQYIWOBLNVAMT-CQSZACIVSA-N 1 0 333.388 2.222 20 5 EEBDRO COc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000128506810 292343255 /nfs/dbraw/zinc/34/32/55/292343255.db2.gz ADSYKRFZOPVMDN-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO Cc1nc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000128780706 292347284 /nfs/dbraw/zinc/34/72/84/292347284.db2.gz WQWDPNMLBUYWQR-GFCCVEGCSA-N 1 0 333.417 2.484 20 5 EEBDRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000128921124 292349244 /nfs/dbraw/zinc/34/92/44/292349244.db2.gz ATIRUTJMFFLXBR-GFCCVEGCSA-N 1 0 329.356 2.310 20 5 EEBDRO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000262118799 160440098 /nfs/dbraw/zinc/44/00/98/160440098.db2.gz XBUGLHAZLQIRFU-ONGXEEELSA-N 1 0 345.346 2.026 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081364421 159151513 /nfs/dbraw/zinc/15/15/13/159151513.db2.gz HRBMMMVLMHDZND-AWEZNQCLSA-N 1 0 335.404 2.164 20 5 EEBDRO COCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534242 159236111 /nfs/dbraw/zinc/23/61/11/159236111.db2.gz MFHFQJAZQZPGIN-GFCCVEGCSA-N 1 0 332.360 2.416 20 5 EEBDRO O=C([C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000104091282 159282389 /nfs/dbraw/zinc/28/23/89/159282389.db2.gz JYCQBUDSKNZUKM-MRXNPFEDSA-N 1 0 349.456 2.177 20 5 EEBDRO CC[NH+](CC)CCSc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000122797520 159439628 /nfs/dbraw/zinc/43/96/28/159439628.db2.gz XSJIMYFEFULDPV-UHFFFAOYSA-N 1 0 332.447 2.432 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245446301 160235754 /nfs/dbraw/zinc/23/57/54/160235754.db2.gz LANVXTPAXVTAOD-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000245537108 160240990 /nfs/dbraw/zinc/24/09/90/160240990.db2.gz XYJMZSRAZYRUGV-NWDGAFQWSA-N 1 0 349.387 2.174 20 5 EEBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248450357 160346995 /nfs/dbraw/zinc/34/69/95/160346995.db2.gz IPUQKLQUPDVAOP-UKRRQHHQSA-N 1 0 331.372 2.423 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(C[NH+](C)C)CC1 ZINC000341725464 161009312 /nfs/dbraw/zinc/00/93/12/161009312.db2.gz DQFSTWZVKRREKL-UHFFFAOYSA-N 1 0 335.404 2.468 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000341933826 161025357 /nfs/dbraw/zinc/02/53/57/161025357.db2.gz DRDZLPPPOIOUBY-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000341981688 161029219 /nfs/dbraw/zinc/02/92/19/161029219.db2.gz JHIKRPSGMIUBNV-LBPRGKRZSA-N 1 0 349.387 2.298 20 5 EEBDRO CSCC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000342314890 161055584 /nfs/dbraw/zinc/05/55/84/161055584.db2.gz ODPSTCHPYJYVDV-IZPAUZPXSA-N 1 0 337.445 2.408 20 5 EEBDRO COC[C@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342739023 161086939 /nfs/dbraw/zinc/08/69/39/161086939.db2.gz OENOKCSIDSUZNT-GOEBONIOSA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000343066168 161099623 /nfs/dbraw/zinc/09/96/23/161099623.db2.gz CYDYHXBYAJUJMQ-VXGBXAGGSA-N 1 0 345.403 2.464 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC[N@@H+]1C ZINC000343575275 161148141 /nfs/dbraw/zinc/14/81/41/161148141.db2.gz WSXBAMIZZIJFAP-JOYOIKCWSA-N 1 0 343.330 2.409 20 5 EEBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343888115 161177935 /nfs/dbraw/zinc/17/79/35/161177935.db2.gz OJAMWXUJCNFWCQ-UHFFFAOYSA-N 1 0 337.376 2.197 20 5 EEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000345365923 161295646 /nfs/dbraw/zinc/29/56/46/161295646.db2.gz STQAVHOUOUBCMA-UHFFFAOYSA-N 1 0 337.424 2.057 20 5 EEBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000345895681 161340410 /nfs/dbraw/zinc/34/04/10/161340410.db2.gz YUNZACGQYALMHW-UHFFFAOYSA-N 1 0 337.424 2.055 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1C ZINC000352476221 162150316 /nfs/dbraw/zinc/15/03/16/162150316.db2.gz HLXQQUJLZHIVOO-DGCLKSJQSA-N 1 0 349.387 2.268 20 5 EEBDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000352510976 162166138 /nfs/dbraw/zinc/16/61/38/162166138.db2.gz PTIVMQJHMUTSEF-FZMZJTMJSA-N 1 0 325.434 2.455 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352679032 162241952 /nfs/dbraw/zinc/24/19/52/162241952.db2.gz YXSNGCYAZBRICK-QHEVRDBASA-N 1 0 345.399 2.197 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000357374646 163690417 /nfs/dbraw/zinc/69/04/17/163690417.db2.gz HKQXWFBNZGUCIH-UHFFFAOYSA-N 1 0 337.424 2.103 20 5 EEBDRO C[NH+]1CCC(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358102165 163835518 /nfs/dbraw/zinc/83/55/18/163835518.db2.gz ZPIWWVUYUNHANT-UHFFFAOYSA-N 1 0 337.395 2.470 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+](C)C ZINC000359593721 164132648 /nfs/dbraw/zinc/13/26/48/164132648.db2.gz TUQWWOSPOZKYQG-SNVBAGLBSA-N 1 0 329.784 2.036 20 5 EEBDRO Cc1c(CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000360619586 164352546 /nfs/dbraw/zinc/35/25/46/164352546.db2.gz GWYYUTZLYMKKQF-MRXNPFEDSA-N 1 0 331.416 2.436 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360819648 164385653 /nfs/dbraw/zinc/38/56/53/164385653.db2.gz SXBZUXSTAAXMIK-LRDDRELGSA-N 1 0 328.372 2.173 20 5 EEBDRO Cn1cc(C[C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370008698 166375387 /nfs/dbraw/zinc/37/53/87/166375387.db2.gz LVRHSSVQMBCLSG-AWEZNQCLSA-N 1 0 330.388 2.272 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375469433 167141242 /nfs/dbraw/zinc/14/12/42/167141242.db2.gz AJIVRBUZVYTFGC-CVEARBPZSA-N 1 0 349.431 2.207 20 5 EEBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000158296495 224985180 /nfs/dbraw/zinc/98/51/80/224985180.db2.gz NHUNDORXVJVQHD-CYBMUJFWSA-N 1 0 332.404 2.148 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270079288 268784726 /nfs/dbraw/zinc/78/47/26/268784726.db2.gz IJKCRKUYPLCUMO-MRXNPFEDSA-N 1 0 331.416 2.328 20 5 EEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000275119783 269096232 /nfs/dbraw/zinc/09/62/32/269096232.db2.gz PEHASAMVPNXKJV-GFCCVEGCSA-N 1 0 345.321 2.138 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000275520709 269120930 /nfs/dbraw/zinc/12/09/30/269120930.db2.gz VFLXFXJVVZBRSF-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277437241 269155698 /nfs/dbraw/zinc/15/56/98/269155698.db2.gz JDLSPMZFGJZVBY-NSHDSACASA-N 1 0 349.412 2.322 20 5 EEBDRO COc1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1O ZINC000277466171 269157768 /nfs/dbraw/zinc/15/77/68/269157768.db2.gz JGQSPHRADBLPOJ-CQSZACIVSA-N 1 0 335.404 2.416 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277907853 269196903 /nfs/dbraw/zinc/19/69/03/269196903.db2.gz XDDSLQVHAQTKSE-XUWXXGDYSA-N 1 0 344.415 2.406 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000278249433 269219303 /nfs/dbraw/zinc/21/93/03/269219303.db2.gz MLVMJFJHTPMLNN-PSASIEDQSA-N 1 0 342.193 2.228 20 5 EEBDRO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000283956289 269560406 /nfs/dbraw/zinc/56/04/06/269560406.db2.gz MWBXIPGJGHMTCF-UHFFFAOYSA-N 1 0 340.387 2.327 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352359354 273507945 /nfs/dbraw/zinc/50/79/45/273507945.db2.gz GMHFBSDEUBBEEK-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cnn(C)c1 ZINC000130477991 274246343 /nfs/dbraw/zinc/24/63/43/274246343.db2.gz VZINIOWLMQPART-SNVBAGLBSA-N 1 0 335.339 2.147 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277339629 274285288 /nfs/dbraw/zinc/28/52/88/274285288.db2.gz SJCXXUYJPKHQKR-ZDUSSCGKSA-N 1 0 334.420 2.217 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000278341340 274348910 /nfs/dbraw/zinc/34/89/10/274348910.db2.gz XPZSOZHOYJALCX-CHWSQXEVSA-N 1 0 332.404 2.065 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000278397603 274351476 /nfs/dbraw/zinc/35/14/76/274351476.db2.gz FRGGJVWKKIYCDQ-CYBMUJFWSA-N 1 0 337.395 2.419 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000157827717 274949222 /nfs/dbraw/zinc/94/92/22/274949222.db2.gz MUFVPXYNGVBGBD-UFBFGSQYSA-N 1 0 342.193 2.215 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288395918 275054027 /nfs/dbraw/zinc/05/40/27/275054027.db2.gz MQLUUEPCGFPNBQ-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288582890 275072499 /nfs/dbraw/zinc/07/24/99/275072499.db2.gz XOWRMMNVTBARAK-DGCLKSJQSA-N 1 0 343.387 2.170 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000289214307 275104325 /nfs/dbraw/zinc/10/43/25/275104325.db2.gz YOTQQNCMAVILCP-UHFFFAOYSA-N 1 0 345.447 2.463 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290248990 275192422 /nfs/dbraw/zinc/19/24/22/275192422.db2.gz WEEJDCUWBYQTBS-HNNXBMFYSA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[N@@H+]1C1CC1 ZINC000290525944 275215336 /nfs/dbraw/zinc/21/53/36/275215336.db2.gz CVFKUGADKXLFLL-NXEZZACHSA-N 1 0 329.360 2.281 20 5 EEBDRO Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290775902 275238402 /nfs/dbraw/zinc/23/84/02/275238402.db2.gz MRHSPBWHDLRLJN-VXGBXAGGSA-N 1 0 349.412 2.463 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cccn2)C1 ZINC000291696306 275330904 /nfs/dbraw/zinc/33/09/04/275330904.db2.gz HSNIKLLKMAPWIB-WFASDCNBSA-N 1 0 329.360 2.065 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000292003969 275362899 /nfs/dbraw/zinc/36/28/99/275362899.db2.gz CLRAZSUZROYNNG-CYBMUJFWSA-N 1 0 334.420 2.442 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000358911909 276270438 /nfs/dbraw/zinc/27/04/38/276270438.db2.gz DLNYLYWMVVHXGR-MRVPVSSYSA-N 1 0 330.182 2.085 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000127886766 277486812 /nfs/dbraw/zinc/48/68/12/277486812.db2.gz BLGXHISFZFFLGV-CYBMUJFWSA-N 1 0 335.404 2.273 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237724578 277935252 /nfs/dbraw/zinc/93/52/52/277935252.db2.gz AAUWKXPFBLJTDW-UONOGXRCSA-N 1 0 346.431 2.020 20 5 EEBDRO C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000261574741 278556458 /nfs/dbraw/zinc/55/64/58/278556458.db2.gz XOOMGQAUJGJNAR-RKDXNWHRSA-N 1 0 329.198 2.173 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228018049 280198572 /nfs/dbraw/zinc/19/85/72/280198572.db2.gz KUFMDRBGYWIBQN-IUCAKERBSA-N 1 0 329.198 2.234 20 5 EEBDRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000363164213 280332343 /nfs/dbraw/zinc/33/23/43/280332343.db2.gz KAGHLJSJKUMLNP-HYVNUMGLSA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293014137 293102373 /nfs/dbraw/zinc/10/23/73/293102373.db2.gz QAUACEICLYYSHS-GOSISDBHSA-N 1 0 346.431 2.259 20 5 EEBDRO C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293234090 293158045 /nfs/dbraw/zinc/15/80/45/293158045.db2.gz HIRKKMSLKNNDDP-ZWKOTPCHSA-N 1 0 330.384 2.164 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000293538900 293234403 /nfs/dbraw/zinc/23/44/03/293234403.db2.gz XUFPSEWAKPPDMQ-PHIMTYICSA-N 1 0 340.811 2.211 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000296792695 294068407 /nfs/dbraw/zinc/06/84/07/294068407.db2.gz DMIACQXWMVUPMX-SNVBAGLBSA-N 1 0 349.416 2.156 20 5 EEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC2CCC(=O)CC2)CC1 ZINC000296852573 294083740 /nfs/dbraw/zinc/08/37/40/294083740.db2.gz YGYMBIMHNHMCSD-UHFFFAOYSA-N 1 0 345.399 2.112 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297218635 294183407 /nfs/dbraw/zinc/18/34/07/294183407.db2.gz QPFBJVYWDUVKBA-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795146 294343199 /nfs/dbraw/zinc/34/31/99/294343199.db2.gz XSUNEOAYNLGPEV-NOLJZWGESA-N 1 0 332.404 2.391 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297806234 294346610 /nfs/dbraw/zinc/34/66/10/294346610.db2.gz OYFHEJIGDMCMDG-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1 ZINC000299559443 294773709 /nfs/dbraw/zinc/77/37/09/294773709.db2.gz SPSRDPRNXYAULA-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000195439561 295287880 /nfs/dbraw/zinc/28/78/80/295287880.db2.gz XMOQJGGACQKGGS-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152381808 302040849 /nfs/dbraw/zinc/04/08/49/302040849.db2.gz YRHWBPSJCXHEFL-CQSZACIVSA-N 1 0 334.420 2.115 20 5 EEBDRO O=C1COc2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000326466131 311604006 /nfs/dbraw/zinc/60/40/06/311604006.db2.gz RQNZMLFNDBJIAL-UHFFFAOYSA-N 1 0 327.340 2.258 20 5 EEBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332269353 311980865 /nfs/dbraw/zinc/98/08/65/311980865.db2.gz GBMIJLHJNFDCIL-STQMWFEESA-N 1 0 330.388 2.101 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000412388975 312658288 /nfs/dbraw/zinc/65/82/88/312658288.db2.gz VBHKVFFGVKESBL-QMMMGPOBSA-N 1 0 330.182 2.037 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)o1 ZINC000414564181 313042523 /nfs/dbraw/zinc/04/25/23/313042523.db2.gz XKFTVXXHTARDHT-BLLLJJGKSA-N 1 0 332.356 2.030 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414656110 313057740 /nfs/dbraw/zinc/05/77/40/313057740.db2.gz MJKHDFDXIAIPDV-STQMWFEESA-N 1 0 348.403 2.457 20 5 EEBDRO COc1cc(CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414781718 313086591 /nfs/dbraw/zinc/08/65/91/313086591.db2.gz WLYFOHCLZILRMH-UHFFFAOYSA-N 1 0 345.346 2.169 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417854500 313619872 /nfs/dbraw/zinc/61/98/72/313619872.db2.gz QCZRNTZMDQVUOF-AEGPPILISA-N 1 0 332.404 2.215 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421010128 314023804 /nfs/dbraw/zinc/02/38/04/314023804.db2.gz FUDPLUOSBYZQCB-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425397264 314386025 /nfs/dbraw/zinc/38/60/25/314386025.db2.gz AHDMOVIVGRGIGK-JTQLQIEISA-N 1 0 328.210 2.493 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435233554 314888981 /nfs/dbraw/zinc/88/89/81/314888981.db2.gz VQMZHHZQCARYLS-INIZCTEOSA-N 1 0 332.404 2.140 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440414438 315129765 /nfs/dbraw/zinc/12/97/65/315129765.db2.gz ZCYPKWHCWBUALB-LBPRGKRZSA-N 1 0 349.412 2.401 20 5 EEBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000514707074 316413391 /nfs/dbraw/zinc/41/33/91/316413391.db2.gz WNPXESNQMOELPG-YGRLFVJLSA-N 1 0 326.418 2.340 20 5 EEBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516966260 316621914 /nfs/dbraw/zinc/62/19/14/316621914.db2.gz LSBNASPOHIQXQR-LXIYXOSZSA-N 1 0 344.367 2.446 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000546024363 318241199 /nfs/dbraw/zinc/24/11/99/318241199.db2.gz RTSOKCFHEGODAU-LRDDRELGSA-N 1 0 330.388 2.355 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1[N+](=O)[O-] ZINC000564655398 319098547 /nfs/dbraw/zinc/09/85/47/319098547.db2.gz IKBMVVLEJQNHNC-HOCLYGCPSA-N 1 0 347.415 2.262 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000564854472 319118657 /nfs/dbraw/zinc/11/86/57/319118657.db2.gz QEBKOTKVLYXAMM-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000564860946 319119268 /nfs/dbraw/zinc/11/92/68/319119268.db2.gz XRWFDIGUVCBVHZ-CYBMUJFWSA-N 1 0 330.331 2.360 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566256126 319265565 /nfs/dbraw/zinc/26/55/65/319265565.db2.gz BAGOPIOCQWHCBS-LPEHRKFASA-N 1 0 329.784 2.258 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000571875339 319795210 /nfs/dbraw/zinc/79/52/10/319795210.db2.gz MRXYULKVQGMJKP-NWDGAFQWSA-N 1 0 330.331 2.360 20 5 EEBDRO COCC[NH2+]C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000577185181 320239871 /nfs/dbraw/zinc/23/98/71/320239871.db2.gz CJLJASCHJFCUMW-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000120305625 462985521 /nfs/dbraw/zinc/98/55/21/462985521.db2.gz KQFSVCWNCAWAPM-UHFFFAOYSA-N 1 0 342.399 2.498 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296231972 465123987 /nfs/dbraw/zinc/12/39/87/465123987.db2.gz WPSMFNGJZQVNHH-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499009 465187125 /nfs/dbraw/zinc/18/71/25/465187125.db2.gz CDFKOOFNGWNJJW-UKRRQHHQSA-N 1 0 341.795 2.327 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2C=C[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347771847 465218253 /nfs/dbraw/zinc/21/82/53/465218253.db2.gz AZHXINJHJUCRIS-WFASDCNBSA-N 1 0 328.372 2.022 20 5 EEBDRO Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1[N+](=O)[O-] ZINC000590572863 468275881 /nfs/dbraw/zinc/27/58/81/468275881.db2.gz PSOGNMSQBPRLIS-UHFFFAOYSA-N 1 0 345.378 2.423 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342927706 465394028 /nfs/dbraw/zinc/39/40/28/465394028.db2.gz OMPGHRAAUMDLPW-UHFFFAOYSA-N 1 0 341.433 2.125 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000112924526 462554399 /nfs/dbraw/zinc/55/43/99/462554399.db2.gz FLFWNTRHAFLXRX-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO COCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153642812 462674049 /nfs/dbraw/zinc/67/40/49/462674049.db2.gz PSTDOXIITAJHTD-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047141272 462748694 /nfs/dbraw/zinc/74/86/94/462748694.db2.gz AXIKMFKDOHOGBQ-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090054936 462770664 /nfs/dbraw/zinc/77/06/64/462770664.db2.gz VZKFNCAKAKZKIZ-MLGOLLRUSA-N 1 0 338.404 2.432 20 5 EEBDRO Cc1cccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000047432871 462782831 /nfs/dbraw/zinc/78/28/31/462782831.db2.gz SLCVHLWKGPJBSY-KBPBESRZSA-N 1 0 335.404 2.132 20 5 EEBDRO COC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341662 462799753 /nfs/dbraw/zinc/79/97/53/462799753.db2.gz JVUBUMGRTRVSKC-CYBMUJFWSA-N 1 0 349.387 2.251 20 5 EEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117796674 462812145 /nfs/dbraw/zinc/81/21/45/462812145.db2.gz KLUVLGWYIAUJRA-LLVKDONJSA-N 1 0 325.796 2.249 20 5 EEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000131753795 462826287 /nfs/dbraw/zinc/82/62/87/462826287.db2.gz JORZLGZZPRYRDW-UHFFFAOYSA-N 1 0 330.319 2.091 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000521590511 468321040 /nfs/dbraw/zinc/32/10/40/468321040.db2.gz BIKKQNMPQPPUBT-INIZCTEOSA-N 1 0 346.431 2.483 20 5 EEBDRO Cn1cc(C[N@H+](CCO)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092505812 462957854 /nfs/dbraw/zinc/95/78/54/462957854.db2.gz QSYDOMFQELXUDY-UHFFFAOYSA-N 1 0 330.388 2.200 20 5 EEBDRO O=C(CN1CCc2ccccc2[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000133826434 462974077 /nfs/dbraw/zinc/97/40/77/462974077.db2.gz JZRQZKBKLYAOLK-QGZVFWFLSA-N 1 0 341.367 2.125 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156224503 462994764 /nfs/dbraw/zinc/99/47/64/462994764.db2.gz SIFPYWSBZJHMBX-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO CC(=O)c1ccc(NC[C@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000067373327 462998274 /nfs/dbraw/zinc/99/82/74/462998274.db2.gz OLSLIXPGSZFGTP-HNNXBMFYSA-N 1 0 335.404 2.302 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000050994019 463015125 /nfs/dbraw/zinc/01/51/25/463015125.db2.gz NPSRRYFOPJSTGK-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO C[N@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000067701277 463038871 /nfs/dbraw/zinc/03/88/71/463038871.db2.gz LWTLEBGTTGDTAV-UHFFFAOYSA-N 1 0 349.434 2.365 20 5 EEBDRO Cn1cnnc1[C@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156608791 463047128 /nfs/dbraw/zinc/04/71/28/463047128.db2.gz QPSZQWVSTYSKLP-OAHLLOKOSA-N 1 0 331.376 2.329 20 5 EEBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000077995438 463078998 /nfs/dbraw/zinc/07/89/98/463078998.db2.gz JORVHWAFCJCJFW-UHFFFAOYSA-N 1 0 341.415 2.248 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[NH+](C)C ZINC000068352340 463126360 /nfs/dbraw/zinc/12/63/60/463126360.db2.gz CXTXOJNLKXFTKK-UWVGGRQHSA-N 1 0 329.784 2.082 20 5 EEBDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026161576 463152957 /nfs/dbraw/zinc/15/29/57/463152957.db2.gz JXTCDHPQNSZSGE-UHFFFAOYSA-N 1 0 349.387 2.199 20 5 EEBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053372771 463155206 /nfs/dbraw/zinc/15/52/06/463155206.db2.gz SPCXXBWLCFDXGU-INIZCTEOSA-N 1 0 328.372 2.490 20 5 EEBDRO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562197 463174594 /nfs/dbraw/zinc/17/45/94/463174594.db2.gz PAEZEGMWFMIYNX-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158495425 463238053 /nfs/dbraw/zinc/23/80/53/463238053.db2.gz JSUHDMVNXWKOSE-UHFFFAOYSA-N 1 0 342.193 2.135 20 5 EEBDRO CNC(=O)c1ccc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981126 463273505 /nfs/dbraw/zinc/27/35/05/463273505.db2.gz RYLPUHVSRNHMDA-QWHCGFSZSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000055376322 463312408 /nfs/dbraw/zinc/31/24/08/463312408.db2.gz BAZXFFDBIFDKAU-STQMWFEESA-N 1 0 336.392 2.216 20 5 EEBDRO CC[NH+]1CCC(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000138698860 463312858 /nfs/dbraw/zinc/31/28/58/463312858.db2.gz DXYYWLKDSXHTIN-UHFFFAOYSA-N 1 0 341.433 2.142 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000043113427 463620803 /nfs/dbraw/zinc/62/08/03/463620803.db2.gz TYAHRMYMXDPPKZ-UHFFFAOYSA-N 1 0 335.404 2.305 20 5 EEBDRO Cn1cncc1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579489472 468366806 /nfs/dbraw/zinc/36/68/06/468366806.db2.gz VJDBCXNMMXTFPR-UHFFFAOYSA-N 1 0 329.404 2.083 20 5 EEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000085295774 463644681 /nfs/dbraw/zinc/64/46/81/463644681.db2.gz JFDUEOUZTWJOKG-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287006827 463770875 /nfs/dbraw/zinc/77/08/75/463770875.db2.gz KLSXQZQHTHVPMQ-UONOGXRCSA-N 1 0 340.445 2.330 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000283247058 463818098 /nfs/dbraw/zinc/81/80/98/463818098.db2.gz VCXTZJNYLBCQQZ-RYUDHWBXSA-N 1 0 340.376 2.160 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000261852623 463878633 /nfs/dbraw/zinc/87/86/33/463878633.db2.gz QFRNHWSEXFZPNV-GJZGRUSLSA-N 1 0 349.434 2.350 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171655564 463899668 /nfs/dbraw/zinc/89/96/68/463899668.db2.gz BACRFKJYRBQABL-QGZVFWFLSA-N 1 0 346.431 2.407 20 5 EEBDRO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000171692153 463905681 /nfs/dbraw/zinc/90/56/81/463905681.db2.gz DGKRADKGMSHOSR-ZDUSSCGKSA-N 1 0 334.420 2.384 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000269212619 463911429 /nfs/dbraw/zinc/91/14/29/463911429.db2.gz OHWYCVUTUIUYIS-BBRMVZONSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1nc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000269299396 463945790 /nfs/dbraw/zinc/94/57/90/463945790.db2.gz BNVBDPNKULKRNJ-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262099670 463946545 /nfs/dbraw/zinc/94/65/45/463946545.db2.gz ZFIFHJKTWGRBCK-BDAKNGLRSA-N 1 0 342.193 2.167 20 5 EEBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178772702 463969528 /nfs/dbraw/zinc/96/95/28/463969528.db2.gz RNAWGTJLYKTAFM-JTQLQIEISA-N 1 0 327.768 2.155 20 5 EEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000172417411 464075796 /nfs/dbraw/zinc/07/57/96/464075796.db2.gz WOMRQXUWQQYDII-UHFFFAOYSA-N 1 0 347.415 2.246 20 5 EEBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000186931929 464081356 /nfs/dbraw/zinc/08/13/56/464081356.db2.gz WXACAORZSFWIKQ-DOMZBBRYSA-N 1 0 331.372 2.495 20 5 EEBDRO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754688 464182309 /nfs/dbraw/zinc/18/23/09/464182309.db2.gz GPBBQARPDUQOAT-GOEBONIOSA-N 1 0 348.403 2.292 20 5 EEBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[C@@H]1O ZINC000270154311 464201723 /nfs/dbraw/zinc/20/17/23/464201723.db2.gz ROMBIGUKZKGLRW-OCCSQVGLSA-N 1 0 332.360 2.238 20 5 EEBDRO CCOC(=O)c1ccnc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000188517994 464301722 /nfs/dbraw/zinc/30/17/22/464301722.db2.gz CJVIINVLLVJNMK-UHFFFAOYSA-N 1 0 336.392 2.087 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000281029105 464306475 /nfs/dbraw/zinc/30/64/75/464306475.db2.gz NAGSFKOXDBZSHZ-ZDUSSCGKSA-N 1 0 333.388 2.049 20 5 EEBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000264461374 464335278 /nfs/dbraw/zinc/33/52/78/464335278.db2.gz VDWTYPRCOCWQDD-XJKSGUPXSA-N 1 0 335.404 2.467 20 5 EEBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264599313 464389624 /nfs/dbraw/zinc/38/96/24/464389624.db2.gz NEZQAOIXAMJFAC-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237960123 464410630 /nfs/dbraw/zinc/41/06/30/464410630.db2.gz WLTVSDIREBTQMN-CQSZACIVSA-N 1 0 332.404 2.148 20 5 EEBDRO CCCC[NH+]1CCC(NC(=O)c2[nH]nc(CCC)c2[N+](=O)[O-])CC1 ZINC000264686462 464422120 /nfs/dbraw/zinc/42/21/20/464422120.db2.gz RKZJQAMVSNCXEG-UHFFFAOYSA-N 1 0 337.424 2.265 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCC[NH2+]C1 ZINC000238151153 464435777 /nfs/dbraw/zinc/43/57/77/464435777.db2.gz QYMNRYZAFVQPKI-AWEZNQCLSA-N 1 0 335.407 2.023 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189204050 464455664 /nfs/dbraw/zinc/45/56/64/464455664.db2.gz BSDKGYHMKMUMSV-INIZCTEOSA-N 1 0 333.388 2.085 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000294359847 464477661 /nfs/dbraw/zinc/47/76/61/464477661.db2.gz GHKPSRADICQQTK-HOTGVXAUSA-N 1 0 345.399 2.301 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000175848331 464641863 /nfs/dbraw/zinc/64/18/63/464641863.db2.gz WDDOIUKXBQBDIU-CHWSQXEVSA-N 1 0 336.417 2.441 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285713360 464668219 /nfs/dbraw/zinc/66/82/19/464668219.db2.gz OXXRNPRKOYLPLC-CYBMUJFWSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000247460869 464681264 /nfs/dbraw/zinc/68/12/64/464681264.db2.gz QZYKWNFTUYJLRQ-UONOGXRCSA-N 1 0 335.404 2.162 20 5 EEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176047426 464687147 /nfs/dbraw/zinc/68/71/47/464687147.db2.gz NDBZEVRXQWJRSK-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285775794 464692128 /nfs/dbraw/zinc/69/21/28/464692128.db2.gz DRIWNEWMMZZDCY-DOTOQJQBSA-N 1 0 349.431 2.159 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295258444 464764578 /nfs/dbraw/zinc/76/45/78/464764578.db2.gz CZLVBFAASPHKTL-CYBMUJFWSA-N 1 0 338.404 2.465 20 5 EEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000183157089 464810464 /nfs/dbraw/zinc/81/04/64/464810464.db2.gz BNBXSZHREKTUJN-UHFFFAOYSA-N 1 0 347.412 2.003 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000286205602 464838241 /nfs/dbraw/zinc/83/82/41/464838241.db2.gz YDQQCDQFBZFBLM-FGTMMUONSA-N 1 0 342.399 2.296 20 5 EEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000249305804 464862596 /nfs/dbraw/zinc/86/25/96/464862596.db2.gz TVAKKWQLRKPXFL-NEPJUHHUSA-N 1 0 327.812 2.135 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000192122115 464869486 /nfs/dbraw/zinc/86/94/86/464869486.db2.gz SSZMASQWTHZVLE-HIFRSBDPSA-N 1 0 338.314 2.189 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000276439175 464934117 /nfs/dbraw/zinc/93/41/17/464934117.db2.gz LAZIDNJWZASLOX-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C(N)=O)CCCCC1 ZINC000177123914 464936868 /nfs/dbraw/zinc/93/68/68/464936868.db2.gz VDEUDMVSFOCLIS-UHFFFAOYSA-N 1 0 348.403 2.010 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177311652 464984580 /nfs/dbraw/zinc/98/45/80/464984580.db2.gz WQJBGIYVQLKNMR-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268261473 464995874 /nfs/dbraw/zinc/99/58/74/464995874.db2.gz ZIGPOUILBKPTBQ-ZBEGNZNMSA-N 1 0 344.415 2.382 20 5 EEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184737113 465023371 /nfs/dbraw/zinc/02/33/71/465023371.db2.gz HESSBLNPLFTQPH-LBPRGKRZSA-N 1 0 326.784 2.142 20 5 EEBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593910708 468429387 /nfs/dbraw/zinc/42/93/87/468429387.db2.gz BJSXSMJZQKJLMS-VBQJREDUSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593910733 468430905 /nfs/dbraw/zinc/43/09/05/468430905.db2.gz BQCHKRLNYKHIAA-LZWOXQAQSA-N 1 0 347.415 2.262 20 5 EEBDRO CC(C)C[C@H](C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348007514 465367529 /nfs/dbraw/zinc/36/75/29/465367529.db2.gz PPBQWCVXIMEUIM-ZDUSSCGKSA-N 1 0 343.449 2.145 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934788 465399002 /nfs/dbraw/zinc/39/90/02/465399002.db2.gz OAGIZOWNWPYDAU-HZMBPMFUSA-N 1 0 328.372 2.289 20 5 EEBDRO COc1ccccc1[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554635304 468434544 /nfs/dbraw/zinc/43/45/44/468434544.db2.gz HYQLVXPUEKRGDG-INIZCTEOSA-N 1 0 332.356 2.305 20 5 EEBDRO C[NH+](C)[C@]1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCSC1 ZINC000352367522 465521200 /nfs/dbraw/zinc/52/12/00/465521200.db2.gz PMTLRNZFWBEPPX-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299117225 465609366 /nfs/dbraw/zinc/60/93/66/465609366.db2.gz SMSJFOKAOBUTTC-CVEARBPZSA-N 1 0 332.404 2.063 20 5 EEBDRO COc1cccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344640107 465742985 /nfs/dbraw/zinc/74/29/85/465742985.db2.gz IDNAWLBRIGXNEY-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000569154749 468448364 /nfs/dbraw/zinc/44/83/64/468448364.db2.gz NWCCYCSUPSEDSI-NWDGAFQWSA-N 1 0 343.387 2.307 20 5 EEBDRO O=C(C[N@H+](CCO)CC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000362594140 465862234 /nfs/dbraw/zinc/86/22/34/465862234.db2.gz RJCDPCQUHJDYCN-UHFFFAOYSA-N 1 0 335.404 2.408 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000366725652 465898628 /nfs/dbraw/zinc/89/86/28/465898628.db2.gz TVGSRTNOHJKYNR-CYBMUJFWSA-N 1 0 349.435 2.407 20 5 EEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301176472 465916339 /nfs/dbraw/zinc/91/63/39/465916339.db2.gz LLLOABHJYWQPMK-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO Nc1nc(Nc2ccc(CC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000301188664 465918128 /nfs/dbraw/zinc/91/81/28/465918128.db2.gz LETLAZFBRZQONF-UHFFFAOYSA-N 1 0 328.376 2.349 20 5 EEBDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc([N+](=O)[O-])c1 ZINC000349023689 465925776 /nfs/dbraw/zinc/92/57/76/465925776.db2.gz CEXGSQKXVLXSKT-CYBMUJFWSA-N 1 0 326.356 2.367 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301280281 465934438 /nfs/dbraw/zinc/93/44/38/465934438.db2.gz NXAYYHUIBDZKAE-LBPRGKRZSA-N 1 0 328.800 2.412 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301286649 465937487 /nfs/dbraw/zinc/93/74/87/465937487.db2.gz VNTKPULQRXEMAR-UHFFFAOYSA-N 1 0 343.387 2.065 20 5 EEBDRO CN(CC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000357383389 465992438 /nfs/dbraw/zinc/99/24/38/465992438.db2.gz UVPUWQWKOFRVNT-UHFFFAOYSA-N 1 0 348.447 2.399 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000366884739 465995223 /nfs/dbraw/zinc/99/52/23/465995223.db2.gz OHIBZRWAPJMGBQ-UWWQBHOKSA-N 1 0 344.415 2.420 20 5 EEBDRO CC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301731847 466020876 /nfs/dbraw/zinc/02/08/76/466020876.db2.gz SSYOKNXAPLZIMU-OAHLLOKOSA-N 1 0 333.388 2.463 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439450 468469728 /nfs/dbraw/zinc/46/97/28/468469728.db2.gz VFKCAGJPHXCMBV-NHYWBVRUSA-N 1 0 328.372 2.340 20 5 EEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000591446233 468471470 /nfs/dbraw/zinc/47/14/70/468471470.db2.gz VDCSBTJYQJLWJJ-UONOGXRCSA-N 1 0 340.811 2.366 20 5 EEBDRO Cn1nnc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000362956523 466145958 /nfs/dbraw/zinc/14/59/58/466145958.db2.gz ZHDQILHGYJPANG-UHFFFAOYSA-N 1 0 330.373 2.137 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363179323 466265147 /nfs/dbraw/zinc/26/51/47/466265147.db2.gz JBBQMXSRVSZLET-ZIAGYGMSSA-N 1 0 348.403 2.029 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000312639772 466531674 /nfs/dbraw/zinc/53/16/74/466531674.db2.gz DAWDUSGCHGQNGI-ZJUUUORDSA-N 1 0 341.209 2.140 20 5 EEBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000363688048 466560240 /nfs/dbraw/zinc/56/02/40/466560240.db2.gz BTMKFDSCNKRQSL-NSHDSACASA-N 1 0 336.367 2.063 20 5 EEBDRO COC(=O)[C@H](O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347368482 466593873 /nfs/dbraw/zinc/59/38/73/466593873.db2.gz YHKUJRQKVJTBMC-JIIJFUIFSA-N 1 0 348.399 2.244 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423271298 466707907 /nfs/dbraw/zinc/70/79/07/466707907.db2.gz IVEXMJUTCRBWBL-XJKCOSOUSA-N 1 0 334.420 2.419 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000410853153 466750721 /nfs/dbraw/zinc/75/07/21/466750721.db2.gz JAYGSKZFDGLTIA-PHIMTYICSA-N 1 0 339.367 2.297 20 5 EEBDRO Cc1ccc([C@]2(C)CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000370028265 466764803 /nfs/dbraw/zinc/76/48/03/466764803.db2.gz CJUPNDZJLRLKRE-ZWKOTPCHSA-N 1 0 344.415 2.124 20 5 EEBDRO CC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411273849 466797067 /nfs/dbraw/zinc/79/70/67/466797067.db2.gz OXAQVSANCBBWSX-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCNc1cnccn1)CCCC2 ZINC000417316710 466832847 /nfs/dbraw/zinc/83/28/47/466832847.db2.gz UQUBKTATJXNZEC-MRXNPFEDSA-N 1 0 327.388 2.854 20 5 EEBDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447320 466881966 /nfs/dbraw/zinc/88/19/66/466881966.db2.gz MJHWVSTUDLYZEO-XJKSGUPXSA-N 1 0 328.372 2.235 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411935260 466939321 /nfs/dbraw/zinc/93/93/21/466939321.db2.gz BFKHROBTJXETSB-NUTKFTJISA-N 1 0 338.404 2.128 20 5 EEBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000411961541 466947996 /nfs/dbraw/zinc/94/79/96/466947996.db2.gz ANTOBBRAIBBYKS-XIKOKIGWSA-N 1 0 347.415 2.277 20 5 EEBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411973236 466953115 /nfs/dbraw/zinc/95/31/15/466953115.db2.gz RJCYFEVJPVSOBF-YVEFUNNKSA-N 1 0 335.404 2.351 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418352058 467097417 /nfs/dbraw/zinc/09/74/17/467097417.db2.gz UNERGNVRRQFFOE-CQSZACIVSA-N 1 0 332.404 2.268 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425627392 467116495 /nfs/dbraw/zinc/11/64/95/467116495.db2.gz VNIKXABTFCTVMZ-SMDDNHRTSA-N 1 0 334.376 2.161 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418541732 467125462 /nfs/dbraw/zinc/12/54/62/467125462.db2.gz QTOAACMLEFITKP-INIZCTEOSA-N 1 0 344.415 2.404 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427617883 467167465 /nfs/dbraw/zinc/16/74/65/467167465.db2.gz LEPMKYVQQWFSKO-SCVCMEIPSA-N 1 0 341.795 2.130 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000378236660 467237559 /nfs/dbraw/zinc/23/75/59/467237559.db2.gz PHQWLKPSNIYDOW-RDBSUJKOSA-N 1 0 333.388 2.280 20 5 EEBDRO CCOc1cc(C[N@H+](C)[C@@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433156680 467300061 /nfs/dbraw/zinc/30/00/61/467300061.db2.gz KBMQCWULKLAKAJ-AWEZNQCLSA-N 1 0 326.393 2.211 20 5 EEBDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420274164 467334376 /nfs/dbraw/zinc/33/43/76/467334376.db2.gz MQUDVDQCRVXSQH-JTQLQIEISA-N 1 0 332.326 2.238 20 5 EEBDRO C[C@H]([NH3+])CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000420303033 467345569 /nfs/dbraw/zinc/34/55/69/467345569.db2.gz KHILJOOAVQVBEX-JTQLQIEISA-N 1 0 332.326 2.083 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430221751 467410332 /nfs/dbraw/zinc/41/03/32/467410332.db2.gz DTFCIVUZQDGTSJ-AWEZNQCLSA-N 1 0 335.404 2.342 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000391660555 467421438 /nfs/dbraw/zinc/42/14/38/467421438.db2.gz KCOJJTYYKCQYRT-DZGCQCFKSA-N 1 0 332.404 2.193 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000420591794 467430613 /nfs/dbraw/zinc/43/06/13/467430613.db2.gz XWVPDTCLJLGOLX-UHFFFAOYSA-N 1 0 340.383 2.164 20 5 EEBDRO CC(C)c1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000453289761 467477935 /nfs/dbraw/zinc/47/79/35/467477935.db2.gz MOIDYBFWYYYXGH-RYUDHWBXSA-N 1 0 333.396 2.306 20 5 EEBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000430934337 467478122 /nfs/dbraw/zinc/47/81/22/467478122.db2.gz LRRAYKMWXZFNQZ-WFASDCNBSA-N 1 0 330.388 2.461 20 5 EEBDRO Cc1cnc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000453406921 467485249 /nfs/dbraw/zinc/48/52/49/467485249.db2.gz RNSLDVHJCKYZBG-GFCCVEGCSA-N 1 0 343.387 2.243 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000453406923 467485836 /nfs/dbraw/zinc/48/58/36/467485836.db2.gz RNSLDVHJCKYZBG-LBPRGKRZSA-N 1 0 343.387 2.243 20 5 EEBDRO COc1cccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000436024423 467509663 /nfs/dbraw/zinc/50/96/63/467509663.db2.gz SMYSTKGOKQVQPG-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO CNc1nc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454709297 467611191 /nfs/dbraw/zinc/61/11/91/467611191.db2.gz HKXGCERQVZQUBS-VXGBXAGGSA-N 1 0 335.408 2.024 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449617623 467671788 /nfs/dbraw/zinc/67/17/88/467671788.db2.gz VXLQILHLDSIGMX-JPZVUWATSA-N 1 0 332.404 2.029 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450547610 467868643 /nfs/dbraw/zinc/86/86/43/467868643.db2.gz ODPRQZBTASNWLJ-LBPRGKRZSA-N 1 0 348.403 2.087 20 5 EEBDRO CCC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450602044 467878143 /nfs/dbraw/zinc/87/81/43/467878143.db2.gz ZORIMMCWPVOFGM-AWEZNQCLSA-N 1 0 335.404 2.446 20 5 EEBDRO C[C@H](O)CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450739773 467899479 /nfs/dbraw/zinc/89/94/79/467899479.db2.gz RNFHOQNCDJIIHE-ZDUSSCGKSA-N 1 0 347.419 2.144 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC[N@@H+]1C ZINC000450789392 467908479 /nfs/dbraw/zinc/90/84/79/467908479.db2.gz GJXWYVOOLJNDDC-FZMZJTMJSA-N 1 0 343.387 2.197 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000530913019 468017604 /nfs/dbraw/zinc/01/76/04/468017604.db2.gz RWLYLMDJZQRBKF-KBPBESRZSA-N 1 0 335.404 2.135 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532057240 468093565 /nfs/dbraw/zinc/09/35/65/468093565.db2.gz YSDWGLQVGVJTAJ-CYBMUJFWSA-N 1 0 334.420 2.344 20 5 EEBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000488761108 468103378 /nfs/dbraw/zinc/10/33/78/468103378.db2.gz FSTNYYYYGPTDDR-JSGCOSHPSA-N 1 0 331.372 2.495 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000489316970 468127235 /nfs/dbraw/zinc/12/72/35/468127235.db2.gz ALASAKKPPAMPQL-HNNXBMFYSA-N 1 0 337.445 2.486 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594200392 468510385 /nfs/dbraw/zinc/51/03/85/468510385.db2.gz LSDWZZMCLQUUMR-CABCVRRESA-N 1 0 347.415 2.497 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000582615392 468567141 /nfs/dbraw/zinc/56/71/41/468567141.db2.gz VNJSCDIGZHTSFY-GOEBONIOSA-N 1 0 346.431 2.400 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)CC)CC2)c1[N+](=O)[O-] ZINC000594390419 468570113 /nfs/dbraw/zinc/57/01/13/468570113.db2.gz WNOVODDWSMXWFI-UHFFFAOYSA-N 1 0 337.424 2.217 20 5 EEBDRO Nc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000594418561 468579701 /nfs/dbraw/zinc/57/97/01/468579701.db2.gz KDNJFASVYGAOGC-STQMWFEESA-N 1 0 336.367 2.063 20 5 EEBDRO CC[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592332523 468678743 /nfs/dbraw/zinc/67/87/43/468678743.db2.gz ZOZUCEXRUJRVDH-XJKSGUPXSA-N 1 0 334.420 2.373 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597854996 468694014 /nfs/dbraw/zinc/69/40/14/468694014.db2.gz OSLXLMHIPFJVPA-LBPRGKRZSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597860959 468696916 /nfs/dbraw/zinc/69/69/16/468696916.db2.gz QGZSWYYNFFXYKF-AWEZNQCLSA-N 1 0 349.431 2.383 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597920413 468711949 /nfs/dbraw/zinc/71/19/49/468711949.db2.gz BPXHVGZUKZMREH-CYBMUJFWSA-N 1 0 335.404 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000601113506 468746100 /nfs/dbraw/zinc/74/61/00/468746100.db2.gz HKFXVKFAAOZCQQ-ZWKOTPCHSA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000583802762 468757798 /nfs/dbraw/zinc/75/77/98/468757798.db2.gz LDYAYTQYCIXLRI-UHFFFAOYSA-N 1 0 341.209 2.332 20 5 EEBDRO CC(C)(O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595333053 468814643 /nfs/dbraw/zinc/81/46/43/468814643.db2.gz AEVJQSSERNOEDE-UHFFFAOYSA-N 1 0 326.368 2.486 20 5 EEBDRO C[C@H](CO)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000593085074 468864384 /nfs/dbraw/zinc/86/43/84/468864384.db2.gz UWQPECVOEPINOI-DYVFJYSZSA-N 1 0 347.415 2.041 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000572495875 468942304 /nfs/dbraw/zinc/94/23/04/468942304.db2.gz LXHBKRZYBWARTJ-CYBMUJFWSA-N 1 0 341.371 2.128 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598682856 468957339 /nfs/dbraw/zinc/95/73/39/468957339.db2.gz PHLXXZDTXBPIHX-GUYCJALGSA-N 1 0 332.404 2.045 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598682857 468958022 /nfs/dbraw/zinc/95/80/22/468958022.db2.gz PHLXXZDTXBPIHX-SUMWQHHRSA-N 1 0 332.404 2.045 20 5 EEBDRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])n3C)C2)c1 ZINC000601851584 469057388 /nfs/dbraw/zinc/05/73/88/469057388.db2.gz UFWIMNHXTYBCEB-OAHLLOKOSA-N 1 0 342.399 2.246 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000602800252 469083691 /nfs/dbraw/zinc/08/36/91/469083691.db2.gz XLCLKCQUCAQDGD-CQSZACIVSA-N 1 0 347.423 2.152 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000593665067 469084094 /nfs/dbraw/zinc/08/40/94/469084094.db2.gz ACOHFRLFRIYOMP-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO COc1cc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C2CC2)ccc1O ZINC000602798574 469084324 /nfs/dbraw/zinc/08/43/24/469084324.db2.gz LKVWSEJPZMGJEL-UHFFFAOYSA-N 1 0 346.387 2.479 20 5 EEBDRO O=C(CC[NH2+][C@@H]1CCCc2cn[nH]c21)Nc1ccccc1[N+](=O)[O-] ZINC000573236554 469089765 /nfs/dbraw/zinc/08/97/65/469089765.db2.gz DKQRFDAFTRWTMZ-CYBMUJFWSA-N 1 0 329.360 2.314 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[C@H](O)C3)s2)cc1 ZINC000599020151 469090633 /nfs/dbraw/zinc/09/06/33/469090633.db2.gz YTQQEVTZABCXJS-HNNXBMFYSA-N 1 0 347.440 2.480 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593706947 469103737 /nfs/dbraw/zinc/10/37/37/469103737.db2.gz JPDNNQLIFJRIPX-IUODEOHRSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000588311627 469138648 /nfs/dbraw/zinc/13/86/48/469138648.db2.gz ISXNUVIGORYCQI-CZUORRHYSA-N 1 0 332.404 2.363 20 5 EEBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000602882616 469140903 /nfs/dbraw/zinc/14/09/03/469140903.db2.gz LPPMZZLUPGVKCR-HNNXBMFYSA-N 1 0 334.376 2.086 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596158125 469179428 /nfs/dbraw/zinc/17/94/28/469179428.db2.gz QTFGSPJFMNEHDC-UHFFFAOYSA-N 1 0 342.399 2.262 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602110162 469194211 /nfs/dbraw/zinc/19/42/11/469194211.db2.gz YLVSJKGUHRCPLR-KRWDZBQOSA-N 1 0 347.415 2.449 20 5 EEBDRO C[N@@H+]1CCC[C@H](N2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270936 469215761 /nfs/dbraw/zinc/21/57/61/469215761.db2.gz UREYHTSPRSQEDE-GINYUPMKSA-N 1 0 344.459 2.320 20 5 EEBDRO CNC(=O)c1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596561699 469301411 /nfs/dbraw/zinc/30/14/11/469301411.db2.gz FIXBQFDQEZWUME-UHFFFAOYSA-N 1 0 346.431 2.488 20 5 EEBDRO NC(=O)c1cc(NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596562700 469302023 /nfs/dbraw/zinc/30/20/23/469302023.db2.gz OJSPUBCNGLTQEL-UHFFFAOYSA-N 1 0 332.404 2.228 20 5 EEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602429748 469313103 /nfs/dbraw/zinc/31/31/03/469313103.db2.gz YEUMICSSVXGLMW-SECBINFHSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599624074 469313694 /nfs/dbraw/zinc/31/36/94/469313694.db2.gz QJOAZASQPONZBJ-AAEUAGOBSA-N 1 0 330.331 2.454 20 5 EEBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596649033 469321329 /nfs/dbraw/zinc/32/13/29/469321329.db2.gz XFTPEPVRGPFXPI-OAHLLOKOSA-N 1 0 329.404 2.279 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602486169 469336999 /nfs/dbraw/zinc/33/69/99/469336999.db2.gz SSFVULAZNRIWKS-RKDXNWHRSA-N 1 0 342.193 2.167 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602541510 469354453 /nfs/dbraw/zinc/35/44/53/469354453.db2.gz PWQWTMMIAJHEFU-BXKDBHETSA-N 1 0 349.284 2.333 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCn1cncn1 ZINC000602542780 469354462 /nfs/dbraw/zinc/35/44/62/469354462.db2.gz XFIHTIIZIIHNEQ-UHFFFAOYSA-N 1 0 329.282 2.385 20 5 EEBDRO O=[N+]([O-])c1cccc(OCCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000603662393 469422288 /nfs/dbraw/zinc/42/22/88/469422288.db2.gz WYGZCOIFZLMVJA-SFHVURJKSA-N 1 0 349.431 2.160 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000610430480 470014343 /nfs/dbraw/zinc/01/43/43/470014343.db2.gz YSJNRRDZPPBMRR-AWEZNQCLSA-N 1 0 332.404 2.102 20 5 EEBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccnc1 ZINC000181625007 533818111 /nfs/dbraw/zinc/81/81/11/533818111.db2.gz JVNQOXKQUCUKMR-LBPRGKRZSA-N 1 0 326.356 2.230 20 5 EEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000173965190 533901325 /nfs/dbraw/zinc/90/13/25/533901325.db2.gz ITRTVFVGLRUXRG-IUODEOHRSA-N 1 0 343.387 2.093 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000191337159 534055163 /nfs/dbraw/zinc/05/51/63/534055163.db2.gz RMLOGFCXPCJXKH-UHFFFAOYSA-N 1 0 336.392 2.055 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174526750 534628509 /nfs/dbraw/zinc/62/85/09/534628509.db2.gz JXELFVPIXAUNRH-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139489746 527717220 /nfs/dbraw/zinc/71/72/20/527717220.db2.gz NJTNJFXGMCNQAU-LBPRGKRZSA-N 1 0 343.811 2.335 20 5 EEBDRO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000130949067 527783186 /nfs/dbraw/zinc/78/31/86/527783186.db2.gz DJVRWIWLMZVXOP-MRXNPFEDSA-N 1 0 335.404 2.168 20 5 EEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183912860 528439606 /nfs/dbraw/zinc/43/96/06/528439606.db2.gz HDXWDGKNMNLJJL-CQSZACIVSA-N 1 0 345.403 2.204 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000423570153 535427694 /nfs/dbraw/zinc/42/76/94/535427694.db2.gz NGCHFORRJWNBQP-NILFDRSVSA-N 1 0 333.388 2.193 20 5 EEBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000228670252 535973378 /nfs/dbraw/zinc/97/33/78/535973378.db2.gz WUPONTPTVVAAIX-GFCCVEGCSA-N 1 0 332.198 2.082 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451728148 536140583 /nfs/dbraw/zinc/14/05/83/536140583.db2.gz DULCOXBMZRTJEL-AWEZNQCLSA-N 1 0 334.420 2.258 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000425048710 536488135 /nfs/dbraw/zinc/48/81/35/536488135.db2.gz CLNUDHDIFNQSDJ-XHDPSFHLSA-N 1 0 328.372 2.242 20 5 EEBDRO CC[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586280 576277918 /nfs/dbraw/zinc/27/79/18/576277918.db2.gz JDCGZGQHTOMHLD-CYBMUJFWSA-N 1 0 346.387 2.443 20 5 EEBDRO CC[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000727823770 576451644 /nfs/dbraw/zinc/45/16/44/576451644.db2.gz KIYFERMXSKFWCU-DYVFJYSZSA-N 1 0 346.387 2.194 20 5 EEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000727982244 576465424 /nfs/dbraw/zinc/46/54/24/576465424.db2.gz FYYWLYBHVNRHIV-UHFFFAOYSA-N 1 0 343.387 2.317 20 5 EEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000731480908 577103141 /nfs/dbraw/zinc/10/31/41/577103141.db2.gz HTMBFJPODFVFIE-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO CC[C@@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000732182098 577153399 /nfs/dbraw/zinc/15/33/99/577153399.db2.gz CVCXMPWIQMIYPL-PXAZEXFGSA-N 1 0 348.403 2.297 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCCC1 ZINC000771510046 577216533 /nfs/dbraw/zinc/21/65/33/577216533.db2.gz RDWHBRNDJGJHRC-UHFFFAOYSA-N 1 0 349.416 2.204 20 5 EEBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000776590531 577463598 /nfs/dbraw/zinc/46/35/98/577463598.db2.gz DUGXLAXRVQGOTN-INIZCTEOSA-N 1 0 332.356 2.474 20 5 EEBDRO Cc1cc(F)cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000758510695 577626056 /nfs/dbraw/zinc/62/60/56/577626056.db2.gz XFUHIEBSZQMAKN-OAHLLOKOSA-N 1 0 341.408 2.209 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000761130248 577677617 /nfs/dbraw/zinc/67/76/17/577677617.db2.gz QIJHUTPYRQPQAQ-GFCCVEGCSA-N 1 0 330.388 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c2nonc21 ZINC000763376180 577720168 /nfs/dbraw/zinc/72/01/68/577720168.db2.gz NONNWDJJQKHQPN-AAEUAGOBSA-N 1 0 347.375 2.186 20 5 EEBDRO C[C@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@@H]1C ZINC000751928701 577762435 /nfs/dbraw/zinc/76/24/35/577762435.db2.gz NWECZUIQDAERQZ-STQMWFEESA-N 1 0 328.372 2.364 20 5 EEBDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000756026021 577837101 /nfs/dbraw/zinc/83/71/01/577837101.db2.gz QNJKFAQQCMKCAQ-KRWDZBQOSA-N 1 0 332.404 2.276 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000742902216 577877763 /nfs/dbraw/zinc/87/77/63/577877763.db2.gz VVJJKPDANAQZML-LBPRGKRZSA-N 1 0 339.367 2.055 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)cc1-c1nn[nH]n1 ZINC000826498982 607451368 /nfs/dbraw/zinc/45/13/68/607451368.db2.gz QVYJWFHVDXRLMH-UHFFFAOYSA-N 1 0 331.380 2.063 20 5 EEBDRO CC1CC[NH+](CCCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000820722600 606644642 /nfs/dbraw/zinc/64/46/42/606644642.db2.gz KNPGFOOFSAZNAM-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO C[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824626154 608563539 /nfs/dbraw/zinc/56/35/39/608563539.db2.gz MSNKSHZZSLDKRW-JTQLQIEISA-N 1 0 325.332 2.021 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)n1 ZINC000933245908 676525895 /nfs/dbraw/zinc/52/58/95/676525895.db2.gz LPJDGXGEVCWDNU-LBPRGKRZSA-N 1 0 344.293 2.133 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000891722848 676803263 /nfs/dbraw/zinc/80/32/63/676803263.db2.gz JZYROBXCTWMYBV-AWEZNQCLSA-N 1 0 334.420 2.215 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000308676677 676826131 /nfs/dbraw/zinc/82/61/31/676826131.db2.gz KMTLXLXZLMOPHI-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000892106469 678010391 /nfs/dbraw/zinc/01/03/91/678010391.db2.gz VVWMDNNCUICVRS-OCCSQVGLSA-N 1 0 337.420 2.471 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)ccn1C ZINC001022671285 678181485 /nfs/dbraw/zinc/18/14/85/678181485.db2.gz NYMPNYAVMVSYRP-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022861326 678659004 /nfs/dbraw/zinc/65/90/04/678659004.db2.gz HVDHFGJVELKEBI-TXEJJXNPSA-N 1 0 349.416 2.047 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC001022881115 678708414 /nfs/dbraw/zinc/70/84/14/678708414.db2.gz AULQBMFOSRDJIR-TXEJJXNPSA-N 1 0 332.385 2.102 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892840549 683124897 /nfs/dbraw/zinc/12/48/97/683124897.db2.gz PZASTJJIKKJPNC-JSGCOSHPSA-N 1 0 344.415 2.223 20 5 EEBDRO COc1c(O)ccc(CN[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000892930148 683205887 /nfs/dbraw/zinc/20/58/87/683205887.db2.gz NEJHILMEQQERHG-ZDUSSCGKSA-N 1 0 325.409 2.375 20 5 EEBDRO O=C(Cc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020096333 683543384 /nfs/dbraw/zinc/54/33/84/683543384.db2.gz XYDFNTOMZTXWCE-JOCQHMNTSA-N 1 0 335.385 2.229 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895191058 684265355 /nfs/dbraw/zinc/26/53/55/684265355.db2.gz DLOYQDVBRAWMGQ-QWHCGFSZSA-N 1 0 330.388 2.152 20 5 EEBDRO COC1CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893360971 684898369 /nfs/dbraw/zinc/89/83/69/684898369.db2.gz HGXUKMYYFYMGAG-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO C[N@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964285 688717264 /nfs/dbraw/zinc/71/72/64/688717264.db2.gz CXNMMRYHUWYGDZ-IAGOWNOFSA-N 1 0 349.475 2.402 20 5 EEBDRO Cc1ncccc1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000898256637 691928120 /nfs/dbraw/zinc/92/81/20/691928120.db2.gz DLKXGUJCRRNXOC-UHFFFAOYSA-N 1 0 329.356 2.402 20 5 EEBDRO Cc1nc(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c[nH]1 ZINC000990278972 692805010 /nfs/dbraw/zinc/80/50/10/692805010.db2.gz SYLDOKFJENMTCA-UHFFFAOYSA-N 1 0 349.416 2.082 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2nc3c(s2)CCC3)cc1 ZINC000905569306 1189781636 /nfs/dbraw/zinc/78/16/36/1189781636.db2.gz QMTXYXDFAWUTGR-AWEZNQCLSA-N 1 0 333.413 2.406 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872247055 1198109979 /nfs/dbraw/zinc/10/99/79/1198109979.db2.gz KFQHBZORQYQJGD-LBPRGKRZSA-N 1 0 344.293 2.133 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1Cl ZINC001134286469 1199452442 /nfs/dbraw/zinc/45/24/42/1199452442.db2.gz YQMCMRIYDUFIQK-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000876999158 1199840295 /nfs/dbraw/zinc/84/02/95/1199840295.db2.gz WYKCVFUPTLTEHA-AWEZNQCLSA-N 1 0 343.786 2.386 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)s1 ZINC000877764388 1200079257 /nfs/dbraw/zinc/07/92/57/1200079257.db2.gz CTBGAHYRMWAPAW-BETUJISGSA-N 1 0 348.424 2.356 20 5 EEBDRO CNC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000877773044 1200085558 /nfs/dbraw/zinc/08/55/58/1200085558.db2.gz YXKGYYCWVGYAGL-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000879142655 1200886764 /nfs/dbraw/zinc/88/67/64/1200886764.db2.gz ZMVOWVSMCFFBJE-TZMCWYRMSA-N 1 0 341.795 2.422 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879962453 1201325814 /nfs/dbraw/zinc/32/58/14/1201325814.db2.gz NGDHAKWIUBRONK-CZUORRHYSA-N 1 0 347.415 2.183 20 5 EEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866212961 1201466941 /nfs/dbraw/zinc/46/69/41/1201466941.db2.gz LMFBQJBAKMKKOI-UHFFFAOYSA-N 1 0 346.431 2.014 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCOCC1(C)C ZINC000866258528 1201478223 /nfs/dbraw/zinc/47/82/23/1201478223.db2.gz XXYBDIGNUMWOKC-CYBMUJFWSA-N 1 0 339.411 2.365 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCOCC1 ZINC000866298739 1201487869 /nfs/dbraw/zinc/48/78/69/1201487869.db2.gz FFGIBIQYSZMGFZ-MEDUHNTESA-N 1 0 326.368 2.042 20 5 EEBDRO CC(C)(C)SCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944130 1201711499 /nfs/dbraw/zinc/71/14/99/1201711499.db2.gz PRLKAWSDGGFTKD-OAHLLOKOSA-N 1 0 325.434 2.417 20 5 EEBDRO Cc1ccccc1CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944973 1201711572 /nfs/dbraw/zinc/71/15/72/1201711572.db2.gz MXZXMHMISOCFFF-GOSISDBHSA-N 1 0 327.384 2.436 20 5 EEBDRO C[NH2+]CCOc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000884317752 1202291748 /nfs/dbraw/zinc/29/17/48/1202291748.db2.gz BSMATOSOGBWTMK-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000886600602 1202530991 /nfs/dbraw/zinc/53/09/91/1202530991.db2.gz YEZIUZWTRFYDII-CQSZACIVSA-N 1 0 337.395 2.465 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095674178 1205910844 /nfs/dbraw/zinc/91/08/44/1205910844.db2.gz GGEXOXSICNIBJZ-UHFFFAOYSA-N 1 0 336.436 2.268 20 5 EEBDRO C[NH+](C)CC1(O)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000931485924 1207394118 /nfs/dbraw/zinc/39/41/18/1207394118.db2.gz SPZVJHPWJJDELK-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000932761094 1207672969 /nfs/dbraw/zinc/67/29/69/1207672969.db2.gz ZEFFTWRZFYWGRY-IAGOWNOFSA-N 1 0 329.400 2.395 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778268598 1208027652 /nfs/dbraw/zinc/02/76/52/1208027652.db2.gz GGOVKRNLGCOGIW-NSHDSACASA-N 1 0 349.416 2.204 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420413572 1217551180 /nfs/dbraw/zinc/55/11/80/1217551180.db2.gz ZLNJXOQZDOMRRL-QGZVFWFLSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1cc(C)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001017544145 1227506752 /nfs/dbraw/zinc/50/67/52/1227506752.db2.gz LYYDVGSIVMBMOG-XMTFNYHQSA-N 1 0 343.427 2.144 20 5 EEBDRO CC1(NC(=O)c2ccon2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045372894 1233701626 /nfs/dbraw/zinc/70/16/26/1233701626.db2.gz RIXKTAGNLXBDDI-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326340 1243352325 /nfs/dbraw/zinc/35/23/25/1243352325.db2.gz YAPZGONPKLXCKU-QBPKDAKJSA-N 1 0 331.416 2.116 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097211892 1243833220 /nfs/dbraw/zinc/83/32/20/1243833220.db2.gz ICYMZEABJWWZIN-TXEJJXNPSA-N 1 0 338.383 2.135 20 5 EEBDRO C[NH+]1CCC(C(=O)NC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001057880662 1248045100 /nfs/dbraw/zinc/04/51/00/1248045100.db2.gz PJDGOQBCEOKFBA-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO O=c1cc(O[C@H]2CCNCC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218005384 1297546123 /nfs/dbraw/zinc/54/61/23/1297546123.db2.gz FIMSUPBDURPGLX-LBPRGKRZSA-N 1 0 325.271 2.225 20 5 EEBDRO COC(=O)c1cc(C(=O)OCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000858994888 1294288199 /nfs/dbraw/zinc/28/81/99/1294288199.db2.gz FHUUPVLAWIEZJP-UHFFFAOYSA-N 1 0 336.344 2.024 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000862789292 1295962075 /nfs/dbraw/zinc/96/20/75/1295962075.db2.gz KAWFOLFJCQODOY-ZDUSSCGKSA-N 1 0 334.420 2.123 20 5 EEBDRO O=[N+]([O-])c1cc(O[C@@H]2C=CC[NH2+]C2)ccc1I ZINC001218334995 1297635384 /nfs/dbraw/zinc/63/53/84/1297635384.db2.gz SKHOMSGLQLLSHC-SECBINFHSA-N 1 0 346.124 2.106 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001218860526 1297838648 /nfs/dbraw/zinc/83/86/48/1297838648.db2.gz ZKWLQNMOJMCJEQ-QWRGUYRKSA-N 1 0 339.374 2.251 20 5 EEBDRO CC(C)(C[NH2+]C/C=C/Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541417 1299685536 /nfs/dbraw/zinc/68/55/36/1299685536.db2.gz DWXWTXUVMHGWMB-HNCOSLNKSA-N 1 0 343.855 2.259 20 5 EEBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CC1([NH+](C)C)CCCC1 ZINC001101868388 1299964888 /nfs/dbraw/zinc/96/48/88/1299964888.db2.gz UHCVGOCPAVMJOL-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO COC(=O)c1cc(OC)c(CO[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001223589726 1300186198 /nfs/dbraw/zinc/18/61/98/1300186198.db2.gz CKJBMBDSPMYHNS-GFCCVEGCSA-N 1 0 326.413 2.102 20 5 EEBDRO Cc1nc(-c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2)cs1 ZINC001228630334 1302343840 /nfs/dbraw/zinc/34/38/40/1302343840.db2.gz KUICAUCYTOGJKU-CQSZACIVSA-N 1 0 335.449 2.481 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001228662575 1302367432 /nfs/dbraw/zinc/36/74/32/1302367432.db2.gz YLHUDMDTFBCYAI-NSHDSACASA-N 1 0 330.406 2.107 20 5 EEBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)ccc1I ZINC001228948115 1302539865 /nfs/dbraw/zinc/53/98/65/1302539865.db2.gz VCATZVJJIRDJTD-VIFPVBQESA-N 1 0 335.209 2.468 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Cc1ccccc1O ZINC001229562448 1302857300 /nfs/dbraw/zinc/85/73/00/1302857300.db2.gz AKVXGCVBMHZFAY-QGZVFWFLSA-O 1 0 344.431 2.346 20 5 EEBDRO Cc1nccc2c3ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc3[nH]c21 ZINC001229978474 1303006061 /nfs/dbraw/zinc/00/60/61/1303006061.db2.gz XZNGXQYRPGFSHP-CYBMUJFWSA-N 1 0 342.419 2.387 20 5 EEBDRO C[NH+](C)CCC(=O)NCCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001103699494 1303242348 /nfs/dbraw/zinc/24/23/48/1303242348.db2.gz NCWMMEYBJCAFET-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1cnc(C(=O)NCCCN(C)Cc2csc([N+](=O)[O-])c2)cn1 ZINC001231408323 1303782330 /nfs/dbraw/zinc/78/23/30/1303782330.db2.gz BCNYGFIFTOKZFZ-UHFFFAOYSA-N 1 0 349.416 2.007 20 5 EEBDRO CC(=O)NC1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000784542083 1304497828 /nfs/dbraw/zinc/49/78/28/1304497828.db2.gz PDQFNMLNFOVZFU-DQPZFDDXSA-N 1 0 335.404 2.007 20 5 EEBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(Cl)c(C(F)(F)F)c1 ZINC001234955069 1305062756 /nfs/dbraw/zinc/06/27/56/1305062756.db2.gz BNXDEVIKJYUYNL-MRVPVSSYSA-N 1 0 341.737 2.116 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2[C@@H](C)CC[C@H]2C[NH3+])c1F ZINC001246548154 1310337270 /nfs/dbraw/zinc/33/72/70/1310337270.db2.gz RMXJVMMMKSIJQQ-SRVKXCTJSA-N 1 0 325.384 2.485 20 5 EEBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH3+])[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584320 1310348542 /nfs/dbraw/zinc/34/85/42/1310348542.db2.gz IYRRXTJXXKZBHV-NILFDRSVSA-N 1 0 325.384 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1F ZINC001246869294 1310455304 /nfs/dbraw/zinc/45/53/04/1310455304.db2.gz WCRRKRXDMCUSGP-AGIUHOORSA-N 1 0 337.395 2.357 20 5 EEBDRO O=[N+]([O-])c1ccc(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001247579514 1310641027 /nfs/dbraw/zinc/64/10/27/1310641027.db2.gz WXZPTAOILHGATH-UHFFFAOYSA-N 1 0 337.339 2.276 20 5 EEBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c([N+](=O)[O-])c1 ZINC001248456937 1310906580 /nfs/dbraw/zinc/90/65/80/1310906580.db2.gz GAPNMBCBDPPRBB-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCn3ccnc3C2)c1F ZINC000832518310 1314682158 /nfs/dbraw/zinc/68/21/58/1314682158.db2.gz ZMSDUDRIJXXPAJ-VIFPVBQESA-N 1 0 336.298 2.123 20 5 EEBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000840036608 1315279704 /nfs/dbraw/zinc/27/97/04/1315279704.db2.gz SOTLJEVSAOXGAC-GUYCJALGSA-N 1 0 331.372 2.221 20 5 EEBDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889440 1315428247 /nfs/dbraw/zinc/42/82/47/1315428247.db2.gz GJEPZIOXZQBAOK-LLVKDONJSA-N 1 0 341.433 2.043 20 5 EEBDRO COC[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC[NH2+]1 ZINC000841232995 1315510291 /nfs/dbraw/zinc/51/02/91/1315510291.db2.gz JEXHNXBENLSWIP-CQSZACIVSA-N 1 0 342.783 2.138 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000842584159 1315726199 /nfs/dbraw/zinc/72/61/99/1315726199.db2.gz WXQRDPDGLIQOPR-JTQLQIEISA-N 1 0 328.332 2.153 20 5 EEBDRO Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843097213 1315841413 /nfs/dbraw/zinc/84/14/13/1315841413.db2.gz XLBNDCQVLHAHCS-AEFFLSMTSA-N 1 0 330.384 2.130 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000843116866 1315846636 /nfs/dbraw/zinc/84/66/36/1315846636.db2.gz IPFQEDOSYLXHQA-QRVBRYPASA-N 1 0 342.395 2.384 20 5 EEBDRO COc1cc(Cc2noc(CC[C@@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191591 1315863295 /nfs/dbraw/zinc/86/32/95/1315863295.db2.gz KDEUCQJKUVQEKT-LLVKDONJSA-N 1 0 332.360 2.119 20 5 EEBDRO CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000843348946 1315895907 /nfs/dbraw/zinc/89/59/07/1315895907.db2.gz ZVJLTHKNEVEDCN-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO CC1([NH3+])CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843467473 1315919324 /nfs/dbraw/zinc/91/93/24/1315919324.db2.gz CXSYIQZCWTZUSY-UHFFFAOYSA-N 1 0 329.759 2.270 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000843468733 1315919924 /nfs/dbraw/zinc/91/99/24/1315919924.db2.gz YNFUTZBZJLSFPE-MRXNPFEDSA-N 1 0 346.431 2.265 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843469300 1315920017 /nfs/dbraw/zinc/92/00/17/1315920017.db2.gz LHNFORLDCQJZIU-UWVGGRQHSA-N 1 0 329.759 2.316 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001152977117 1316752346 /nfs/dbraw/zinc/75/23/46/1316752346.db2.gz FHRJXJBHZQAMLF-WNDYTACBSA-N 1 0 329.400 2.093 20 5 EEBDRO CN(C)/C=C/c1cc(NC[C@@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155118950 1317464423 /nfs/dbraw/zinc/46/44/23/1317464423.db2.gz NKJLEQZOVPPSED-CDVVCGDMSA-N 1 0 337.399 2.416 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC001155616248 1317675318 /nfs/dbraw/zinc/67/53/18/1317675318.db2.gz COSNCAICEMERSK-DYVFJYSZSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155636181 1317683450 /nfs/dbraw/zinc/68/34/50/1317683450.db2.gz GTJUBBLQEJPTHM-SUNKGSAMSA-N 1 0 334.763 2.338 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001155995333 1317822829 /nfs/dbraw/zinc/82/28/29/1317822829.db2.gz YLDAPEQDYXJTAD-UHFFFAOYSA-N 1 0 328.376 2.167 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001253694725 1317916186 /nfs/dbraw/zinc/91/61/86/1317916186.db2.gz QSYFCFLBXYFLIM-JKSUJKDBSA-N 1 0 334.420 2.309 20 5 EEBDRO Cc1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001254464448 1318079640 /nfs/dbraw/zinc/07/96/40/1318079640.db2.gz FNDFCAGQLDEPDH-UHFFFAOYSA-N 1 0 331.376 2.087 20 5 EEBDRO O=C1CCCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465035 1318080606 /nfs/dbraw/zinc/08/06/06/1318080606.db2.gz RSBHTPJQADYDTC-UHFFFAOYSA-N 1 0 346.431 2.166 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C1)C2 ZINC001254585212 1318132373 /nfs/dbraw/zinc/13/23/73/1318132373.db2.gz LOSMARFVTKBWDG-MSOLQXFVSA-N 1 0 338.411 2.321 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3C[C@H]4CC[C@@H]3CO4)CC2)ccc1[N+](=O)[O-] ZINC001256104149 1318648997 /nfs/dbraw/zinc/64/89/97/1318648997.db2.gz XMBGBFAPYYQQLZ-HZPDHXFCSA-N 1 0 347.415 2.435 20 5 EEBDRO Cc1cc(NC(=[NH2+])N2CCN(C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001157915117 1318928283 /nfs/dbraw/zinc/92/82/83/1318928283.db2.gz QAUVRDKNCGXICA-UHFFFAOYSA-N 1 0 328.376 2.045 20 5 EEBDRO C[C@H]1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158186228 1319064645 /nfs/dbraw/zinc/06/46/45/1319064645.db2.gz PTCWAVZWFWQJDZ-WDSKDSINSA-N 1 0 339.705 2.244 20 5 EEBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001161060675 1320371942 /nfs/dbraw/zinc/37/19/42/1320371942.db2.gz XSPOHHZEJIKXIV-UHFFFAOYSA-N 1 0 330.388 2.449 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162792535 1320959761 /nfs/dbraw/zinc/95/97/61/1320959761.db2.gz HUJYKLPLOJZDOV-DVVUODLYSA-N 1 0 331.763 2.377 20 5 EEBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)nn2)ccc1F ZINC001162803062 1320962627 /nfs/dbraw/zinc/96/26/27/1320962627.db2.gz PSFWHVZOALBAGJ-SLEUVZQESA-N 1 0 341.346 2.377 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163159668 1321054343 /nfs/dbraw/zinc/05/43/43/1321054343.db2.gz LYIMEYJGWCAPPQ-XHBSWPGZSA-N 1 0 328.372 2.179 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc21 ZINC001163166837 1321056584 /nfs/dbraw/zinc/05/65/84/1321056584.db2.gz LJCWRQUYHMWUTP-KYOSRNDESA-N 1 0 346.362 2.319 20 5 EEBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278885 1321086605 /nfs/dbraw/zinc/08/66/05/1321086605.db2.gz LCBIGURPGVGCDF-HZMBPMFUSA-N 1 0 326.784 2.214 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c2ccncc21 ZINC001163325805 1321098476 /nfs/dbraw/zinc/09/84/76/1321098476.db2.gz YWPDDWSUKABHDZ-SJCJKPOMSA-N 1 0 328.372 2.466 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H](C)C1 ZINC001163366702 1321106427 /nfs/dbraw/zinc/10/64/27/1321106427.db2.gz WJEHZYBPBZIMER-CMPLNLGQSA-N 1 0 328.800 2.412 20 5 EEBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001163461450 1321131639 /nfs/dbraw/zinc/13/16/39/1321131639.db2.gz FTWCWWAZAMTBQF-CYBMUJFWSA-N 1 0 330.344 2.197 20 5 EEBDRO Nc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165084520 1321451691 /nfs/dbraw/zinc/45/16/91/1321451691.db2.gz LEOHZXRQSOUXPM-PBHICJAKSA-N 1 0 339.399 2.283 20 5 EEBDRO CC[N@@H+]1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001165200766 1321470895 /nfs/dbraw/zinc/47/08/95/1321470895.db2.gz AFGPIJIYCHFHGG-FPLPWBNLSA-N 1 0 333.436 2.443 20 5 EEBDRO [NH3+]CC1(F)CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165264841 1321486260 /nfs/dbraw/zinc/48/62/60/1321486260.db2.gz PEFXABPMZCBQJA-UHFFFAOYSA-N 1 0 339.758 2.459 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ocnc1C1CC1 ZINC001166599900 1321747302 /nfs/dbraw/zinc/74/73/02/1321747302.db2.gz ZNHQKDBCVLNVFN-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001166701573 1321769557 /nfs/dbraw/zinc/76/95/57/1321769557.db2.gz QZEDEUCGJYSEDP-GFCCVEGCSA-N 1 0 336.355 2.233 20 5 EEBDRO CC(C)OCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204686328 1322210052 /nfs/dbraw/zinc/21/00/52/1322210052.db2.gz MGKUYWPQYIVUTB-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263239522 1322447147 /nfs/dbraw/zinc/44/71/47/1322447147.db2.gz OAQHGZKJUMCSPY-BRSBDYLESA-N 1 0 337.379 2.439 20 5 EEBDRO Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001263655872 1322499597 /nfs/dbraw/zinc/49/95/97/1322499597.db2.gz VAAAGKOAPJAEMS-UHFFFAOYSA-N 1 0 348.403 2.232 20 5 EEBDRO Cn1cncc1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308166187 1331569299 /nfs/dbraw/zinc/56/92/99/1331569299.db2.gz IBQOGENDWJVOQV-QGZVFWFLSA-N 1 0 330.388 2.241 20 5 EEBDRO CC(C)(C)[NH+]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001317890922 1332442200 /nfs/dbraw/zinc/44/22/00/1332442200.db2.gz IJMSYDDUYNXXHJ-UHFFFAOYSA-N 1 0 344.419 2.227 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001328814252 1334528481 /nfs/dbraw/zinc/52/84/81/1334528481.db2.gz DUQVMWMTAHMIBH-CYBMUJFWSA-N 1 0 332.404 2.352 20 5 EEBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001338209354 1336816857 /nfs/dbraw/zinc/81/68/57/1336816857.db2.gz IIQWPYUILUMKKT-LBPRGKRZSA-N 1 0 346.391 2.048 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001339467610 1337009706 /nfs/dbraw/zinc/00/97/06/1337009706.db2.gz ORDDYQJEHZRZFJ-GZBFAFLISA-N 1 0 348.451 2.089 20 5 EEBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001340124481 1337125918 /nfs/dbraw/zinc/12/59/18/1337125918.db2.gz SNHZXSZICGRYLP-UHFFFAOYSA-N 1 0 348.407 2.387 20 5 EEBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001341151525 1337285232 /nfs/dbraw/zinc/28/52/32/1337285232.db2.gz YZYASVBTLBBICW-SNVBAGLBSA-N 1 0 329.809 2.073 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001353790609 1338344582 /nfs/dbraw/zinc/34/45/82/1338344582.db2.gz UTFWANGHYFEKEX-CQSZACIVSA-N 1 0 333.388 2.206 20 5 EEBDRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC001576008970 1343942380 /nfs/dbraw/zinc/94/23/80/1343942380.db2.gz VTFFNUXTVUIYPB-ACJLOTCBSA-N 1 0 343.383 2.352 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001576794483 1344061959 /nfs/dbraw/zinc/06/19/59/1344061959.db2.gz DDKXSYCIDWXAKF-CHWSQXEVSA-N 1 0 340.383 2.479 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001577307704 1344125696 /nfs/dbraw/zinc/12/56/96/1344125696.db2.gz GUWKSSQJTSVCSE-ONGXEEELSA-N 1 0 329.759 2.392 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC001578220369 1344252938 /nfs/dbraw/zinc/25/29/38/1344252938.db2.gz DAGJBKVHANIOSN-UHFFFAOYSA-N 1 0 347.400 2.300 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC001580374426 1344515593 /nfs/dbraw/zinc/51/55/93/1344515593.db2.gz JCIPHWAXDRXFJQ-VXGBXAGGSA-N 1 0 329.360 2.441 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2c(s1)C[NH2+]CC2 ZINC001580699456 1344551748 /nfs/dbraw/zinc/55/17/48/1344551748.db2.gz ORYAQSGTFKALBG-UHFFFAOYSA-N 1 0 331.397 2.275 20 5 EEBDRO CC[NH+](CC)CCCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590688049 1349389085 /nfs/dbraw/zinc/38/90/85/1349389085.db2.gz UOJNSTAGEHEDBR-UHFFFAOYSA-N 1 0 333.396 2.309 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590731778 1349393388 /nfs/dbraw/zinc/39/33/88/1349393388.db2.gz BCLMNZUPIAYYAN-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001593479931 1349812959 /nfs/dbraw/zinc/81/29/59/1349812959.db2.gz CLDSYFPTJZEQNT-CHWSQXEVSA-N 1 0 343.391 2.204 20 5 EEBDRO Cc1cc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000286338002 1369749681 /nfs/dbraw/zinc/74/96/81/1369749681.db2.gz VTTDTRWAFDLCPN-FUNVUKJBSA-N 1 0 332.404 2.183 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931308751 1369887830 /nfs/dbraw/zinc/88/78/30/1369887830.db2.gz VBSTWRSMICKCIN-XWIAVFTESA-N 1 0 346.431 2.195 20 5 EEBDRO Cc1nc(NC2(CNC(=O)CCC[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001111902241 1371293623 /nfs/dbraw/zinc/29/36/23/1371293623.db2.gz UTZJUPPBRQQWBW-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCCn1ccnc1 ZINC000784402398 1371403103 /nfs/dbraw/zinc/40/31/03/1371403103.db2.gz ALCWQKBXJCPMOR-UHFFFAOYSA-N 1 0 328.328 2.449 20 5 EEBDRO CC1([C@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000784570253 1371419654 /nfs/dbraw/zinc/41/96/54/1371419654.db2.gz DBWJWCQSOVXLFE-HOCLYGCPSA-N 1 0 336.388 2.103 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001116039082 1371718779 /nfs/dbraw/zinc/71/87/79/1371718779.db2.gz KQMGLMSIAPFOOR-UONOGXRCSA-N 1 0 341.433 2.054 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001118197149 1371778923 /nfs/dbraw/zinc/77/89/23/1371778923.db2.gz OBDLJAYXVCMOJA-ZETCQYMHSA-N 1 0 348.172 2.082 20 5 EEBDRO C/C(=C\C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC1 ZINC001752842931 1406477222 /nfs/dbraw/zinc/47/72/22/1406477222.db2.gz CVNYEKQHQJJKMT-JGFNHJHJSA-N 1 0 341.411 2.498 20 5 EEBDRO COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753187904 1406706390 /nfs/dbraw/zinc/70/63/90/1406706390.db2.gz AZZIIVLJYVWKGW-HZPDHXFCSA-N 1 0 349.431 2.032 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001578275774 1403730908 /nfs/dbraw/zinc/73/09/08/1403730908.db2.gz ZBISRGCAJGZRCI-OAHLLOKOSA-N 1 0 328.372 2.290 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001580660598 1403865711 /nfs/dbraw/zinc/86/57/11/1403865711.db2.gz HAQHEJZPYWAHFG-UHFFFAOYSA-N 1 0 329.360 2.264 20 5 EEBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2([NH3+])CCCC2)no1 ZINC000261722506 1405797546 /nfs/dbraw/zinc/79/75/46/1405797546.db2.gz JQLLPFGWBYAZDI-SNVBAGLBSA-N 1 0 345.359 2.197 20 5 EEBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001167156652 757418988 /nfs/dbraw/zinc/41/89/88/757418988.db2.gz DYUCGUYWJBNXNA-UHFFFAOYSA-N 1 0 345.403 2.351 20 5 EEBDRO CCN(CCNC(=O)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100544835 759992936 /nfs/dbraw/zinc/99/29/36/759992936.db2.gz ACECXUBICAXEFH-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO O=C(NCC1C[NH+](Cc2cc3ccccc3s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663035 770737412 /nfs/dbraw/zinc/73/74/12/770737412.db2.gz PAMOXYLKHWOURF-HUUCEWRRSA-N 1 0 345.424 2.115 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000846699977 790440413 /nfs/dbraw/zinc/44/04/13/790440413.db2.gz YIVSIVBBMSYJSC-NXEZZACHSA-N 1 0 347.824 2.057 20 5 EEBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000894084194 780494511 /nfs/dbraw/zinc/49/45/11/780494511.db2.gz RWXWLVBRQFYUNT-AWEZNQCLSA-N 1 0 329.404 2.287 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000817994447 785112425 /nfs/dbraw/zinc/11/24/25/785112425.db2.gz BCFNNIDYSDMELP-LKFCYVNXSA-N 1 0 341.770 2.140 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017317 785144591 /nfs/dbraw/zinc/14/45/91/785144591.db2.gz AZEAQOGAHJERMD-GOSISDBHSA-N 1 0 344.415 2.163 20 5 EEBDRO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137356 785418460 /nfs/dbraw/zinc/41/84/60/785418460.db2.gz BFZCQMMUQMALPK-HJPURHCSSA-N 1 0 334.397 2.155 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000819284378 785485982 /nfs/dbraw/zinc/48/59/82/785485982.db2.gz NAQRFDJMSHGGQS-HNNXBMFYSA-N 1 0 348.428 2.343 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107470763 787325663 /nfs/dbraw/zinc/32/56/63/787325663.db2.gz DHUAXPIVTLKEPD-AATRIKPKSA-N 1 0 332.404 2.021 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001107564772 787664824 /nfs/dbraw/zinc/66/48/24/787664824.db2.gz GGMKBVFGONJPSB-ARJAWSKDSA-N 1 0 346.431 2.472 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000171236705 791313772 /nfs/dbraw/zinc/31/37/72/791313772.db2.gz NXMAXFUWWJZOTR-UHFFFAOYSA-N 1 0 336.388 2.449 20 5 EEBDRO C[NH+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCCCC1 ZINC001093408739 795148041 /nfs/dbraw/zinc/14/80/41/795148041.db2.gz GIQAQQYEMXAIMH-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110148626 795624462 /nfs/dbraw/zinc/62/44/62/795624462.db2.gz MMLYUYDHNJYTET-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000915621868 796342058 /nfs/dbraw/zinc/34/20/58/796342058.db2.gz NVIYHGSEWVYAHJ-HNNXBMFYSA-N 1 0 347.415 2.276 20 5 EEBDRO CC(C)(C)[N@H+](C[C@@H](O)CO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903683 797131139 /nfs/dbraw/zinc/13/11/39/797131139.db2.gz INCJPDSPXHLGJC-NVXWUHKLSA-N 1 0 336.432 2.296 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCOC[C@@H]2F)c1F ZINC001173177356 797277395 /nfs/dbraw/zinc/27/73/95/797277395.db2.gz AZWQQSIRDGJJBL-DLOVCJGASA-N 1 0 330.331 2.390 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1F ZINC001173180755 797278722 /nfs/dbraw/zinc/27/87/22/797278722.db2.gz MWSDUTIWRXXARN-UHIISALHSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2OCCO2)c1F ZINC001173183775 797280042 /nfs/dbraw/zinc/28/00/42/797280042.db2.gz DMYGKQDGRXPERF-JTQLQIEISA-N 1 0 328.340 2.026 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC001173198350 797284499 /nfs/dbraw/zinc/28/44/99/797284499.db2.gz YVWUBYGIBLWNGT-UPJWGTAASA-N 1 0 337.395 2.452 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001173218131 797298741 /nfs/dbraw/zinc/29/87/41/797298741.db2.gz OLJRGZPNAJCACS-CZUORRHYSA-N 1 0 330.384 2.425 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccccc1C(N)=O ZINC001173219590 797300497 /nfs/dbraw/zinc/30/04/97/797300497.db2.gz DRJFSDIBXZLIJT-CYBMUJFWSA-N 1 0 343.383 2.293 20 5 EEBDRO CC(=O)OCN1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231071 797312323 /nfs/dbraw/zinc/31/23/23/797312323.db2.gz XCOHKKFVLFODHQ-CYBMUJFWSA-N 1 0 335.404 2.100 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(OC(F)F)c1 ZINC000785802545 806604936 /nfs/dbraw/zinc/60/49/36/806604936.db2.gz VRROXYLROFBVSY-VXGBXAGGSA-N 1 0 343.330 2.471 20 5 EEBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843237047 800139344 /nfs/dbraw/zinc/13/93/44/800139344.db2.gz JZMHZMBIABVLIE-JTQLQIEISA-N 1 0 343.347 2.286 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001086013395 801941043 /nfs/dbraw/zinc/94/10/43/801941043.db2.gz SNSUIYASYJADOW-AKAXFMLLSA-N 1 0 340.383 2.288 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086031263 801971907 /nfs/dbraw/zinc/97/19/07/801971907.db2.gz SIUUCTFJSJJRLY-BJHJDKERSA-N 1 0 348.428 2.293 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001086289355 802680413 /nfs/dbraw/zinc/68/04/13/802680413.db2.gz PKXHVVVDVDNGEW-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363284 802829518 /nfs/dbraw/zinc/82/95/18/802829518.db2.gz LTZWHGBTBCKZQH-UIBBOPPKSA-N 1 0 343.383 2.082 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(F)c[nH]1 ZINC001086430407 802955728 /nfs/dbraw/zinc/95/57/28/802955728.db2.gz PYVKGGNSAIYZBU-MQMHXKEQSA-N 1 0 346.362 2.360 20 5 EEBDRO [NH3+][C@H]1CCc2nn(-c3nc4cc([N+](=O)[O-])ccc4nc3Cl)cc2C1 ZINC001168810016 803449620 /nfs/dbraw/zinc/44/96/20/803449620.db2.gz YMWGZYDVLXHSNW-VIFPVBQESA-N 1 0 344.762 2.193 20 5 EEBDRO [NH3+]CCN(c1cccnc1)c1nccc(Br)c1[N+](=O)[O-] ZINC001168837738 803463518 /nfs/dbraw/zinc/46/35/18/803463518.db2.gz KQWHFLLDDRVFCI-UHFFFAOYSA-N 1 0 338.165 2.244 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168968793 803553524 /nfs/dbraw/zinc/55/35/24/803553524.db2.gz AKEKYMSIQMLOAS-ZSAUSMIDSA-N 1 0 339.436 2.277 20 5 EEBDRO CC1(COc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cn2)COC1 ZINC001168997937 803563581 /nfs/dbraw/zinc/56/35/81/803563581.db2.gz GRPJRXBVDINWIX-UKRRQHHQSA-N 1 0 335.404 2.032 20 5 EEBDRO Cc1ccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001168998899 803564505 /nfs/dbraw/zinc/56/45/05/803564505.db2.gz QVKQILWMIYTWJE-HZPDHXFCSA-N 1 0 333.432 2.473 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2c3ccccc3nc2N2CC[NH2+]CC2)C1 ZINC001169038764 803582046 /nfs/dbraw/zinc/58/20/46/803582046.db2.gz KIWYHGPNFUBYSV-KBPBESRZSA-N 1 0 329.404 2.064 20 5 EEBDRO CO[C@H](CN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001169040059 803583482 /nfs/dbraw/zinc/58/34/82/803583482.db2.gz XITFMFQRELKHHV-NZSAHSFTSA-N 1 0 347.459 2.437 20 5 EEBDRO CC(C)n1nc(CN(C)C)c2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022218 803588320 /nfs/dbraw/zinc/58/83/20/803588320.db2.gz QTRMHRQVIZCSEW-CABCVRRESA-N 1 0 349.479 2.329 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ccccc2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001169024133 803589781 /nfs/dbraw/zinc/58/97/81/803589781.db2.gz QCNKAOWNYDBHQY-XGXHKWSGSA-N 1 0 345.443 2.459 20 5 EEBDRO O=C(c1cccc(F)c1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169025444 803591094 /nfs/dbraw/zinc/59/10/94/803591094.db2.gz IYZQJVWQOSGQRH-CJNGLKHVSA-N 1 0 335.379 2.029 20 5 EEBDRO O=C1Nc2ccccc2CN1C1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057866 803598262 /nfs/dbraw/zinc/59/82/62/803598262.db2.gz YJFLNIJBUKIHON-JSGCOSHPSA-N 1 0 330.388 2.164 20 5 EEBDRO CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@](C)(C[NH3+])C1 ZINC001169137310 803629517 /nfs/dbraw/zinc/62/95/17/803629517.db2.gz KXHNGHRZSICOHG-QLJPJBMISA-N 1 0 335.408 2.044 20 5 EEBDRO O=[N+]([O-])c1c(NCCc2coc3ccccc23)ncnc1C1C[NH2+]C1 ZINC001169600897 803873505 /nfs/dbraw/zinc/87/35/05/803873505.db2.gz WXOBKXMYNLJPAI-UHFFFAOYSA-N 1 0 339.355 2.472 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001169685078 803954416 /nfs/dbraw/zinc/95/44/16/803954416.db2.gz ZDWQLTDJIBTXQJ-CQSZACIVSA-N 1 0 341.371 2.329 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504348 807554538 /nfs/dbraw/zinc/55/45/38/807554538.db2.gz CJRFWQUAOWPHEW-GXTWGEPZSA-N 1 0 331.372 2.268 20 5 EEBDRO CC1(C)CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000791131321 809089526 /nfs/dbraw/zinc/08/95/26/809089526.db2.gz FAPIOTADMCICLJ-UHFFFAOYSA-N 1 0 329.759 2.140 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CC(=O)CO3)CC2)c([N+](=O)[O-])c1 ZINC001170334727 809899165 /nfs/dbraw/zinc/89/91/65/809899165.db2.gz HXQJOWRVFHPSDE-ZDUSSCGKSA-N 1 0 348.399 2.358 20 5 EEBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345022 809916375 /nfs/dbraw/zinc/91/63/75/809916375.db2.gz GLNDUYMURQXPLI-GXTWGEPZSA-N 1 0 336.388 2.419 20 5 EEBDRO CCc1cccnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130626388 811856627 /nfs/dbraw/zinc/85/66/27/811856627.db2.gz NVDNZUPOYBNTJX-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001131094530 812388912 /nfs/dbraw/zinc/38/89/12/812388912.db2.gz ZBZVWVRETIUDOM-UHFFFAOYSA-N 1 0 349.431 2.253 20 5 EEBDRO Cc1c(Br)c(N2C[C@@H](C)[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000131386394 300908499 /nfs/dbraw/zinc/90/84/99/300908499.db2.gz YPNKVQXGGCASTB-SFYZADRCSA-N 1 0 329.198 2.247 20 5 EEBDRO CN(C(=O)CN1CCC[C@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000066536890 215052255 /nfs/dbraw/zinc/05/22/55/215052255.db2.gz XMPQKXLIKSBIFS-KRWDZBQOSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1ncsc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181863855 234357138 /nfs/dbraw/zinc/35/71/38/234357138.db2.gz CWJVHBBBIXAPAI-LBPRGKRZSA-N 1 0 337.401 2.231 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182114110 234459566 /nfs/dbraw/zinc/45/95/66/234459566.db2.gz JACUPJIYVOTEFB-HZPDHXFCSA-N 1 0 335.404 2.042 20 5 EEBDRO C[NH+]1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000037497036 213150681 /nfs/dbraw/zinc/15/06/81/213150681.db2.gz JRRNOQCIQSRKLP-UHFFFAOYSA-N 1 0 343.225 2.017 20 5 EEBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087508 240359400 /nfs/dbraw/zinc/35/94/00/240359400.db2.gz OIFNCSDQKOEBLW-GXFFZTMASA-N 1 0 347.337 2.470 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000129968734 223109042 /nfs/dbraw/zinc/10/90/42/223109042.db2.gz OLOVGMLQYWUBJN-LLVKDONJSA-N 1 0 341.795 2.133 20 5 EEBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416092863 239064622 /nfs/dbraw/zinc/06/46/22/239064622.db2.gz IYDXUZPTLVVVLH-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+](C)Cc1ccccc1 ZINC000191532934 239171478 /nfs/dbraw/zinc/17/14/78/239171478.db2.gz HNMRKUGRTHJCET-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000191637146 239225358 /nfs/dbraw/zinc/22/53/58/239225358.db2.gz COFIEXGNSRXXLE-OAHLLOKOSA-N 1 0 343.387 2.096 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420380222 239794674 /nfs/dbraw/zinc/79/46/74/239794674.db2.gz YFISKGNJRAODNO-PBFPGSCMSA-N 1 0 334.420 2.208 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000422906369 240287339 /nfs/dbraw/zinc/28/73/39/240287339.db2.gz UVYKOXHEVSHZTJ-UHFFFAOYSA-N 1 0 335.404 2.182 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423745606 240593254 /nfs/dbraw/zinc/59/32/54/240593254.db2.gz XEQBYSGOBLTOKM-SKDRFNHKSA-N 1 0 341.820 2.161 20 5 EEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000451162310 243017543 /nfs/dbraw/zinc/01/75/43/243017543.db2.gz MWJFUPIESSUYPW-CQSZACIVSA-N 1 0 339.367 2.155 20 5 EEBDRO CCOC[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246360861 243237872 /nfs/dbraw/zinc/23/78/72/243237872.db2.gz KTRSJOJTOXETPT-GOEBONIOSA-N 1 0 338.404 2.083 20 5 EEBDRO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000451898669 243299378 /nfs/dbraw/zinc/29/93/78/243299378.db2.gz VTXYYTSTLUDUQE-GFCCVEGCSA-N 1 0 331.376 2.409 20 5 EEBDRO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110966931 220085533 /nfs/dbraw/zinc/08/55/33/220085533.db2.gz UXVOAXFZQNCWLL-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266410006 248286301 /nfs/dbraw/zinc/28/63/01/248286301.db2.gz GISPNORVRPBBIZ-GXFFZTMASA-N 1 0 340.330 2.123 20 5 EEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000098104669 284614389 /nfs/dbraw/zinc/61/43/89/284614389.db2.gz VQISQTLFZNOQPO-UHFFFAOYSA-N 1 0 339.440 2.077 20 5 EEBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093839636 218252705 /nfs/dbraw/zinc/25/27/05/218252705.db2.gz FUMXRZBYFFSMNV-ZDUSSCGKSA-N 1 0 330.388 2.464 20 5 EEBDRO Cc1nc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000268539962 252007213 /nfs/dbraw/zinc/00/72/13/252007213.db2.gz ZBUIBKUIDKHUSL-GJZGRUSLSA-N 1 0 347.463 2.293 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268103444 256113498 /nfs/dbraw/zinc/11/34/98/256113498.db2.gz FCPMWAZICLMTJH-ZDUSSCGKSA-N 1 0 340.811 2.484 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000270596025 256151654 /nfs/dbraw/zinc/15/16/54/256151654.db2.gz YXFUCMAKAYLIMO-KRWDZBQOSA-N 1 0 346.431 2.407 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118829150 221190215 /nfs/dbraw/zinc/19/02/15/221190215.db2.gz NZJPQZUCHSNIPN-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000273076493 256263219 /nfs/dbraw/zinc/26/32/19/256263219.db2.gz POYUXDPMOQZGHV-DLBZAZTESA-N 1 0 349.387 2.089 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000273179320 256273678 /nfs/dbraw/zinc/27/36/78/256273678.db2.gz DPKJSFIJHQRHKU-CQSZACIVSA-N 1 0 348.447 2.410 20 5 EEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274031252 256347613 /nfs/dbraw/zinc/34/76/13/256347613.db2.gz NURWSSQCMNVCLN-UWVGGRQHSA-N 1 0 327.768 2.201 20 5 EEBDRO CCCC[N@H+](CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273405514 256293774 /nfs/dbraw/zinc/29/37/74/256293774.db2.gz WUMGFLWDSQTYSF-CQSZACIVSA-N 1 0 326.393 2.083 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000078563000 292191900 /nfs/dbraw/zinc/19/19/00/292191900.db2.gz UCNPDIAMXXVZBV-CQSZACIVSA-N 1 0 347.415 2.342 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262476148 152282938 /nfs/dbraw/zinc/28/29/38/152282938.db2.gz QCOSGOSMFIPDOK-SNVBAGLBSA-N 1 0 329.784 2.131 20 5 EEBDRO CCC[NH+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000344659940 152809985 /nfs/dbraw/zinc/80/99/85/152809985.db2.gz NBTBLNKDANRFCN-UHFFFAOYSA-N 1 0 335.404 2.226 20 5 EEBDRO COc1cccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000375375988 286457785 /nfs/dbraw/zinc/45/77/85/286457785.db2.gz AQDPELFYYPFEHF-GJZGRUSLSA-N 1 0 348.447 2.066 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081364536 159152022 /nfs/dbraw/zinc/15/20/22/159152022.db2.gz ODSVMHQQSZYFEG-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083026765 159160071 /nfs/dbraw/zinc/16/00/71/159160071.db2.gz QAVXXTVEFZWRMY-KBPBESRZSA-N 1 0 335.404 2.214 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000341948127 161026583 /nfs/dbraw/zinc/02/65/83/161026583.db2.gz RKHBUQDPLXNYNS-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000344397373 161223491 /nfs/dbraw/zinc/22/34/91/161223491.db2.gz SQHRBFYTWPBMDZ-IRXDYDNUSA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344441520 161228000 /nfs/dbraw/zinc/22/80/00/161228000.db2.gz PJOLEOKXADRUBN-KFWWJZLASA-N 1 0 348.447 2.489 20 5 EEBDRO CNc1c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344682669 161235584 /nfs/dbraw/zinc/23/55/84/161235584.db2.gz OFIXJZPTGUPURR-AWEZNQCLSA-N 1 0 334.420 2.487 20 5 EEBDRO CC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](CC)CC ZINC000345586596 161313747 /nfs/dbraw/zinc/31/37/47/161313747.db2.gz JNQFHOVCEFGROS-QGZVFWFLSA-N 1 0 348.447 2.364 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000346672357 161390650 /nfs/dbraw/zinc/39/06/50/161390650.db2.gz UGWFJLLPOZFGFE-OCCSQVGLSA-N 1 0 349.387 2.115 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000349216701 161533356 /nfs/dbraw/zinc/53/33/56/161533356.db2.gz KYKBLXAZROJNHG-QGZVFWFLSA-N 1 0 349.431 2.476 20 5 EEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000351522265 161814509 /nfs/dbraw/zinc/81/45/09/161814509.db2.gz JVTWEISZKQLMBR-CZUORRHYSA-N 1 0 332.360 2.286 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352439044 162135322 /nfs/dbraw/zinc/13/53/22/162135322.db2.gz OAGOAVRVNPCWIS-GJZGRUSLSA-N 1 0 340.383 2.127 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1C ZINC000352476223 162150356 /nfs/dbraw/zinc/15/03/56/162150356.db2.gz HLXQQUJLZHIVOO-YPMHNXCESA-N 1 0 349.387 2.268 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352561388 162189286 /nfs/dbraw/zinc/18/92/86/162189286.db2.gz WPQRVIUPPMASRS-CYBMUJFWSA-N 1 0 343.449 2.302 20 5 EEBDRO COc1ccc(C[N@H+](CCO)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355470194 163201313 /nfs/dbraw/zinc/20/13/13/163201313.db2.gz JOLOYKIKRQOKJG-ZDUSSCGKSA-N 1 0 326.418 2.293 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]CC2)cc1SC ZINC000364169104 165039042 /nfs/dbraw/zinc/03/90/42/165039042.db2.gz KUDUAXSCBRUQKA-JTQLQIEISA-N 1 0 339.417 2.197 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000368613083 166090983 /nfs/dbraw/zinc/09/09/83/166090983.db2.gz MIDNELHVVCUPSU-IHRRRGAJSA-N 1 0 333.388 2.193 20 5 EEBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000374871960 167056668 /nfs/dbraw/zinc/05/66/68/167056668.db2.gz CSBPIKMMBQEDHD-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269398004 268676953 /nfs/dbraw/zinc/67/69/53/268676953.db2.gz NFLYALHFSHGYNI-GFCCVEGCSA-N 1 0 337.424 2.436 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272655231 269005251 /nfs/dbraw/zinc/00/52/51/269005251.db2.gz GFEADAPGVKCSLA-CQSZACIVSA-N 1 0 341.371 2.386 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000275730045 269139696 /nfs/dbraw/zinc/13/96/96/269139696.db2.gz JXFABDAQCCGFQZ-UHFFFAOYSA-N 1 0 344.415 2.492 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000277357312 269150100 /nfs/dbraw/zinc/15/01/00/269150100.db2.gz BRLNFBIAZJNKSS-LDYMZIIASA-N 1 0 342.193 2.085 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000277977533 269203216 /nfs/dbraw/zinc/20/32/16/269203216.db2.gz KBPGDWSIOVXDTH-NSHDSACASA-N 1 0 339.421 2.217 20 5 EEBDRO Cn1cc(-c2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)s2)cn1 ZINC000282316222 269481435 /nfs/dbraw/zinc/48/14/35/269481435.db2.gz SWIMHTJFTOURQV-UHFFFAOYSA-N 1 0 332.389 2.043 20 5 EEBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000189049735 274036535 /nfs/dbraw/zinc/03/65/35/274036535.db2.gz LZRCKQMURIYGCC-UHFFFAOYSA-N 1 0 325.368 2.383 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274740051 274219603 /nfs/dbraw/zinc/21/96/03/274219603.db2.gz VLULSBZFVIQZTO-QMTHXVAHSA-N 1 0 331.376 2.048 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000163928696 274657882 /nfs/dbraw/zinc/65/78/82/274657882.db2.gz UICJCTWIORMWAM-PSASIEDQSA-N 1 0 343.225 2.482 20 5 EEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000286969923 274922994 /nfs/dbraw/zinc/92/29/94/274922994.db2.gz IJISQSBFAPIQRK-OLZOCXBDSA-N 1 0 326.418 2.379 20 5 EEBDRO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288080779 275021664 /nfs/dbraw/zinc/02/16/64/275021664.db2.gz VVAMNIMKPICMRQ-FKEKPDDDSA-N 1 0 346.431 2.404 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000288540052 275068395 /nfs/dbraw/zinc/06/83/95/275068395.db2.gz KURSSSPCADETKR-CXAGYDPISA-N 1 0 330.340 2.188 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290531251 275215716 /nfs/dbraw/zinc/21/57/16/275215716.db2.gz OCQALCDAUJAKKY-GFCCVEGCSA-N 1 0 335.408 2.155 20 5 EEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236746446 278735880 /nfs/dbraw/zinc/73/58/80/278735880.db2.gz OHNYEGKHMJOSKF-SNVBAGLBSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186771572 279306093 /nfs/dbraw/zinc/30/60/93/279306093.db2.gz RSLBGSDMCNKCIK-CYBMUJFWSA-N 1 0 341.433 2.138 20 5 EEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000342924191 279631737 /nfs/dbraw/zinc/63/17/37/279631737.db2.gz DEVNWAIVKUQNOO-SNVBAGLBSA-N 1 0 347.824 2.140 20 5 EEBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccnn2C)c1 ZINC000338448395 280827102 /nfs/dbraw/zinc/82/71/02/280827102.db2.gz PKKCYWBKZCWRSW-UHFFFAOYSA-N 1 0 340.387 2.290 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261736745 281007654 /nfs/dbraw/zinc/00/76/54/281007654.db2.gz MJWAMYQRWKISMP-JKSUJKDBSA-N 1 0 325.368 2.470 20 5 EEBDRO CN(CC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000185903936 282065551 /nfs/dbraw/zinc/06/55/51/282065551.db2.gz UPKLGYDNCCEQBX-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255844113 292721015 /nfs/dbraw/zinc/72/10/15/292721015.db2.gz LQFXWQQUVDSPNH-FPLPWBNLSA-N 1 0 347.415 2.225 20 5 EEBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293351523 293187810 /nfs/dbraw/zinc/18/78/10/293187810.db2.gz TXGJHFPWCAYCEV-UHFFFAOYSA-N 1 0 339.392 2.337 20 5 EEBDRO Cc1nc(NC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000295609672 293767756 /nfs/dbraw/zinc/76/77/56/293767756.db2.gz VHIPNEUYXANBGO-UHFFFAOYSA-N 1 0 328.376 2.165 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297174120 294171407 /nfs/dbraw/zinc/17/14/07/294171407.db2.gz POVVVKQXQJZQTA-CQSZACIVSA-N 1 0 335.404 2.088 20 5 EEBDRO COc1ccc(OCCN(CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000342391636 295186021 /nfs/dbraw/zinc/18/60/21/295186021.db2.gz RZLCXZBFEYKMFB-UHFFFAOYSA-N 1 0 345.399 2.443 20 5 EEBDRO COc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195425276 295288001 /nfs/dbraw/zinc/28/80/01/295288001.db2.gz GIEWZFCDTRYDME-OLZOCXBDSA-N 1 0 335.404 2.454 20 5 EEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000160471052 311354379 /nfs/dbraw/zinc/35/43/79/311354379.db2.gz AXJBNMMDUXFNGV-UHFFFAOYSA-N 1 0 345.403 2.100 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160528514 311355027 /nfs/dbraw/zinc/35/50/27/311355027.db2.gz YFRDAMMWSMQYPH-ZENOOKHLSA-N 1 0 335.404 2.453 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000163731838 311385918 /nfs/dbraw/zinc/38/59/18/311385918.db2.gz NODXUOTVBRDQTB-UHFFFAOYSA-N 1 0 343.387 2.219 20 5 EEBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCOCC1 ZINC000165106456 311390219 /nfs/dbraw/zinc/39/02/19/311390219.db2.gz AITHJPHYCOSKMS-CJNGLKHVSA-N 1 0 335.404 2.191 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332375391 311997477 /nfs/dbraw/zinc/99/74/77/311997477.db2.gz DGOHVTPMTOJSOY-DOTOQJQBSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332375392 311997614 /nfs/dbraw/zinc/99/76/14/311997614.db2.gz DGOHVTPMTOJSOY-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332381764 311998772 /nfs/dbraw/zinc/99/87/72/311998772.db2.gz HGKMCGJISDSAFY-IRXDYDNUSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332511030 312017745 /nfs/dbraw/zinc/01/77/45/312017745.db2.gz UWBOGXDQGVIJTL-GJZGRUSLSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1[NH+]1CCOCC1 ZINC000413183917 312814327 /nfs/dbraw/zinc/81/43/27/312814327.db2.gz WJKFKVVAGCMGRM-SUMWQHHRSA-N 1 0 342.399 2.300 20 5 EEBDRO CC[NH2+]CCNC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000414763327 313079827 /nfs/dbraw/zinc/07/98/27/313079827.db2.gz XIHQICCUATYUKZ-UHFFFAOYSA-N 1 0 340.380 2.123 20 5 EEBDRO Cn1cc(CN2CC[NH2+]C[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414765316 313080396 /nfs/dbraw/zinc/08/03/96/313080396.db2.gz BSICFBYDNVASHH-KRWDZBQOSA-N 1 0 347.394 2.129 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415658709 313163576 /nfs/dbraw/zinc/16/35/76/313163576.db2.gz NVMMAWNBNJZGID-VIFPVBQESA-N 1 0 332.307 2.098 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417714286 313574258 /nfs/dbraw/zinc/57/42/58/313574258.db2.gz IEBUCHUIACEQKW-KGLIPLIRSA-N 1 0 349.435 2.084 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418310029 313779638 /nfs/dbraw/zinc/77/96/38/313779638.db2.gz DBYKXFRGMIWESC-ZBFHGGJFSA-N 1 0 346.431 2.483 20 5 EEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418345822 313788535 /nfs/dbraw/zinc/78/85/35/313788535.db2.gz PJVAPHICAJWSIT-ZDUSSCGKSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1c(CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449209161 315432832 /nfs/dbraw/zinc/43/28/32/315432832.db2.gz OUUSMTNKEGHZRN-HOTGVXAUSA-N 1 0 331.416 2.294 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000524672492 317021130 /nfs/dbraw/zinc/02/11/30/317021130.db2.gz GJAGFJXUJQHRGB-AWEZNQCLSA-N 1 0 347.415 2.279 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527476750 317198634 /nfs/dbraw/zinc/19/86/34/317198634.db2.gz CASFDGZCPCAOLC-OAHLLOKOSA-N 1 0 342.399 2.185 20 5 EEBDRO CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000531354461 317788973 /nfs/dbraw/zinc/78/89/73/317788973.db2.gz KTWVZEQJAWVQEC-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000536833390 318011024 /nfs/dbraw/zinc/01/10/24/318011024.db2.gz NNGJQFLXTJGILV-WDEREUQCSA-N 1 0 330.406 2.077 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000542523465 318131432 /nfs/dbraw/zinc/13/14/32/318131432.db2.gz WPEWUXBCFHPYLX-NSHDSACASA-N 1 0 349.387 2.126 20 5 EEBDRO CNc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000563089168 318970668 /nfs/dbraw/zinc/97/06/68/318970668.db2.gz UUSDPAOFROFDQQ-VIFPVBQESA-N 1 0 347.400 2.161 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000563106980 318972677 /nfs/dbraw/zinc/97/26/77/318972677.db2.gz IXGNDIFTPIJNPM-UHFFFAOYSA-N 1 0 334.401 2.448 20 5 EEBDRO CCc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000564958292 319132496 /nfs/dbraw/zinc/13/24/96/319132496.db2.gz ZNMMFJFUQJWDOI-OAHLLOKOSA-N 1 0 343.449 2.199 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000565005192 319137501 /nfs/dbraw/zinc/13/75/01/319137501.db2.gz RJTGPRUMRNLXPD-JGVFFNPUSA-N 1 0 330.182 2.213 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000573953403 319981848 /nfs/dbraw/zinc/98/18/48/319981848.db2.gz PDVLDWKZTOEECL-UHFFFAOYSA-N 1 0 341.795 2.133 20 5 EEBDRO [NH3+]C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000578226620 320302372 /nfs/dbraw/zinc/30/23/72/320302372.db2.gz KTJNKMMPBZFWII-HNNXBMFYSA-N 1 0 332.404 2.180 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000578480021 320316483 /nfs/dbraw/zinc/31/64/83/320316483.db2.gz HVTPZFRXNAKHJY-WMLDXEAASA-N 1 0 349.431 2.171 20 5 EEBDRO C[N@H+](CCCn1ccnc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181080451 323338548 /nfs/dbraw/zinc/33/85/48/323338548.db2.gz MNJQFGAHZFLMEH-UHFFFAOYSA-N 1 0 331.376 2.142 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COCc2ccccc21 ZINC000581066875 324179053 /nfs/dbraw/zinc/17/90/53/324179053.db2.gz LKBQIWASBDGCDE-ZBFHGGJFSA-N 1 0 344.367 2.196 20 5 EEBDRO CNc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000581684663 324303323 /nfs/dbraw/zinc/30/33/23/324303323.db2.gz XGBTTYXPOYHYQK-XJKCOSOUSA-N 1 0 346.431 2.439 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295946789 465031389 /nfs/dbraw/zinc/03/13/89/465031389.db2.gz GSZXFROYWGXVHX-GFCCVEGCSA-N 1 0 334.376 2.419 20 5 EEBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162083 465117867 /nfs/dbraw/zinc/11/78/67/465117867.db2.gz QDFUVRQWDXVFOE-SNVBAGLBSA-N 1 0 349.357 2.081 20 5 EEBDRO CC(C)C[C@@H](C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000347805594 465238605 /nfs/dbraw/zinc/23/86/05/465238605.db2.gz PHLGDSMKZUVYNT-CYBMUJFWSA-N 1 0 343.449 2.145 20 5 EEBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000358671813 465255556 /nfs/dbraw/zinc/25/55/56/465255556.db2.gz DLSSFGNFTSCOOS-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000590569622 468275016 /nfs/dbraw/zinc/27/50/16/468275016.db2.gz PGRHJNXVPPUXOY-KCJUWKMLSA-N 1 0 329.198 2.281 20 5 EEBDRO COc1cc(C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000114728162 462676129 /nfs/dbraw/zinc/67/61/29/462676129.db2.gz MWYWBFRKBCSOJX-UHFFFAOYSA-N 1 0 334.319 2.408 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000065519685 462787265 /nfs/dbraw/zinc/78/72/65/462787265.db2.gz GYNODZIOBLFYCR-GFCCVEGCSA-N 1 0 336.392 2.455 20 5 EEBDRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000015140261 462942872 /nfs/dbraw/zinc/94/28/72/462942872.db2.gz HUCKXHAYWKXCBP-UHFFFAOYSA-N 1 0 343.383 2.352 20 5 EEBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CO)C(C)(C)C ZINC000134368229 463029569 /nfs/dbraw/zinc/02/95/69/463029569.db2.gz ODJDSBUSSHVWEH-CYBMUJFWSA-N 1 0 334.376 2.484 20 5 EEBDRO COC(=O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000093460645 463038516 /nfs/dbraw/zinc/03/85/16/463038516.db2.gz ZKJQQGFWRYQKRC-HNNXBMFYSA-N 1 0 336.388 2.447 20 5 EEBDRO CCc1nn(C)c(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000094131849 463060556 /nfs/dbraw/zinc/06/05/56/463060556.db2.gz WDNZMFZTBZGPBJ-CQSZACIVSA-N 1 0 331.420 2.476 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000077994883 463078019 /nfs/dbraw/zinc/07/80/19/463078019.db2.gz WDPCYVRZDGLJFO-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000491290248 468343042 /nfs/dbraw/zinc/34/30/42/468343042.db2.gz BLKYCXUVOIAGOY-XQRVVYSFSA-N 1 0 333.363 2.301 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079783554 463249107 /nfs/dbraw/zinc/24/91/07/463249107.db2.gz JYEWIIHFMUHBSP-VIFPVBQESA-N 1 0 342.193 2.039 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055407047 463319001 /nfs/dbraw/zinc/31/90/01/463319001.db2.gz IAZWTWPOUYJBGN-VXGBXAGGSA-N 1 0 345.403 2.321 20 5 EEBDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000080600089 463335028 /nfs/dbraw/zinc/33/50/28/463335028.db2.gz UEHYVJQIOWOIDU-UHFFFAOYSA-N 1 0 334.420 2.237 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000160802047 463372885 /nfs/dbraw/zinc/37/28/85/463372885.db2.gz SDAHPMVQGWXVFQ-ZJUUUORDSA-N 1 0 327.331 2.476 20 5 EEBDRO O=C([C@H]1CCCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909366 463382039 /nfs/dbraw/zinc/38/20/39/463382039.db2.gz AVZBVHLJZXKTTL-MRXNPFEDSA-N 1 0 333.388 2.107 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000161849687 463462398 /nfs/dbraw/zinc/46/23/98/463462398.db2.gz CZSRTZJVPPMXLA-ZDUSSCGKSA-N 1 0 335.404 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000162603544 463524555 /nfs/dbraw/zinc/52/45/55/463524555.db2.gz WBUGGMZSALFYSA-OAHLLOKOSA-N 1 0 345.403 2.367 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162777408 463537000 /nfs/dbraw/zinc/53/70/00/463537000.db2.gz FLXOQECOONOKCH-CQSZACIVSA-N 1 0 338.408 2.382 20 5 EEBDRO Cn1cc(Br)cc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000151536407 463549935 /nfs/dbraw/zinc/54/99/35/463549935.db2.gz JTIHCHPQGRKCPB-UHFFFAOYSA-N 1 0 342.197 2.024 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000043008558 463613100 /nfs/dbraw/zinc/61/31/00/463613100.db2.gz NFFVGQSGNCMUSY-UHFFFAOYSA-N 1 0 334.420 2.075 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111291465 463673832 /nfs/dbraw/zinc/67/38/32/463673832.db2.gz IPXRZFUAUKGBLP-HNNXBMFYSA-N 1 0 333.388 2.060 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170743643 463702279 /nfs/dbraw/zinc/70/22/79/463702279.db2.gz NXWYDAYZAWNHKD-CABCVRRESA-N 1 0 346.431 2.400 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000286983865 463763320 /nfs/dbraw/zinc/76/33/20/463763320.db2.gz OXXNMGPSQCFFND-OCCSQVGLSA-N 1 0 336.417 2.297 20 5 EEBDRO CCOc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000276828503 463770894 /nfs/dbraw/zinc/77/08/94/463770894.db2.gz ASPQDBPNWCLOCY-UHFFFAOYSA-N 1 0 333.388 2.096 20 5 EEBDRO CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000194188103 463811690 /nfs/dbraw/zinc/81/16/90/463811690.db2.gz CKZLGKFWFNLIBD-HNNXBMFYSA-N 1 0 343.449 2.307 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000185426918 463820481 /nfs/dbraw/zinc/82/04/81/463820481.db2.gz KMOIFMKNVLUKJE-AWEZNQCLSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1[N+](=O)[O-] ZINC000269075649 463867399 /nfs/dbraw/zinc/86/73/99/463867399.db2.gz XJYQKFPJBMEERK-IAGOWNOFSA-N 1 0 347.415 2.093 20 5 EEBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000269180475 463901099 /nfs/dbraw/zinc/90/10/99/463901099.db2.gz ICHROEXEPPNZQH-UONOGXRCSA-N 1 0 334.420 2.291 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277188840 463903542 /nfs/dbraw/zinc/90/35/42/463903542.db2.gz BEQQQSNCVNCSRD-CYBMUJFWSA-N 1 0 335.404 2.407 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269258560 463931709 /nfs/dbraw/zinc/93/17/09/463931709.db2.gz CQROPKUEXCBAIE-GOEBONIOSA-N 1 0 330.388 2.274 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000262235559 463979399 /nfs/dbraw/zinc/97/93/99/463979399.db2.gz OLQJQGMTDXQGME-ZBFHGGJFSA-N 1 0 325.368 2.409 20 5 EEBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000172070338 463982560 /nfs/dbraw/zinc/98/25/60/463982560.db2.gz UOTOGRSPKXHPLZ-CQSZACIVSA-N 1 0 334.319 2.073 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178992548 464032670 /nfs/dbraw/zinc/03/26/70/464032670.db2.gz LFFRMMGAWMQSMA-LLVKDONJSA-N 1 0 341.795 2.085 20 5 EEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000279253069 464078502 /nfs/dbraw/zinc/07/85/02/464078502.db2.gz IKGWHWBTMKHQOQ-NSHDSACASA-N 1 0 343.786 2.482 20 5 EEBDRO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000270089339 464183287 /nfs/dbraw/zinc/18/32/87/464183287.db2.gz JUKUFQWKFXJLPI-AWEZNQCLSA-N 1 0 346.431 2.289 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000263864477 464220296 /nfs/dbraw/zinc/22/02/96/464220296.db2.gz BIVPEBPKPFETAS-GFCCVEGCSA-N 1 0 338.408 2.133 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270234644 464228744 /nfs/dbraw/zinc/22/87/44/464228744.db2.gz OGJRJWXETPKVPA-CQSZACIVSA-N 1 0 347.415 2.407 20 5 EEBDRO O=C(N[C@H]1CCCOCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000180175352 464259526 /nfs/dbraw/zinc/25/95/26/464259526.db2.gz WEBQADZEMCJQSY-ZDUSSCGKSA-N 1 0 330.344 2.079 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270990160 464273179 /nfs/dbraw/zinc/27/31/79/464273179.db2.gz DWLLMGSDCJUTSR-NEPJUHHUSA-N 1 0 343.836 2.366 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000188425281 464278496 /nfs/dbraw/zinc/27/84/96/464278496.db2.gz WQGAMGPBJMXKOO-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284747466 464322907 /nfs/dbraw/zinc/32/29/07/464322907.db2.gz XFIJYLVMAOFEJQ-LSDHHAIUSA-N 1 0 325.796 2.153 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180533628 464331365 /nfs/dbraw/zinc/33/13/65/464331365.db2.gz SNBQKEGNRFUEPM-STQMWFEESA-N 1 0 349.435 2.060 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174038465 464353196 /nfs/dbraw/zinc/35/31/96/464353196.db2.gz YWGVWWXHFMIAJK-OAHLLOKOSA-N 1 0 348.447 2.364 20 5 EEBDRO COc1cc(CN2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000284826193 464356807 /nfs/dbraw/zinc/35/68/07/464356807.db2.gz YASHUJZBTLGVHI-UHFFFAOYSA-N 1 0 345.346 2.342 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264534176 464363016 /nfs/dbraw/zinc/36/30/16/464363016.db2.gz KZWFZSXRYQPMPO-SNVBAGLBSA-N 1 0 349.840 2.257 20 5 EEBDRO O=C(CCN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264576979 464380090 /nfs/dbraw/zinc/38/00/90/464380090.db2.gz IQUVYGRTOJAOIE-OAHLLOKOSA-N 1 0 346.431 2.484 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237988769 464416001 /nfs/dbraw/zinc/41/60/01/464416001.db2.gz TWYJMPZTFRCEIH-JQWIXIFHSA-N 1 0 341.795 2.261 20 5 EEBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000238086139 464430948 /nfs/dbraw/zinc/43/09/48/464430948.db2.gz ADTDXDXOGLBRDV-AWEZNQCLSA-N 1 0 337.445 2.129 20 5 EEBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294278576 464453600 /nfs/dbraw/zinc/45/36/00/464453600.db2.gz AVTPUHCJIRIWMT-AWEZNQCLSA-N 1 0 347.415 2.406 20 5 EEBDRO C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281469224 464467329 /nfs/dbraw/zinc/46/73/29/464467329.db2.gz VTWUOZFNHOTSCW-UHFFFAOYSA-N 1 0 334.420 2.341 20 5 EEBDRO CCC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245459300 464485161 /nfs/dbraw/zinc/48/51/61/464485161.db2.gz VGKBXWCBHRYUTP-MELADBBJSA-N 1 0 349.435 2.169 20 5 EEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294389481 464487010 /nfs/dbraw/zinc/48/70/10/464487010.db2.gz DDCDPAHSKZSBAF-VIFPVBQESA-N 1 0 331.294 2.295 20 5 EEBDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272146955 464495415 /nfs/dbraw/zinc/49/54/15/464495415.db2.gz WLGGWWJQKUTWIQ-SUMWQHHRSA-N 1 0 347.415 2.415 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189803603 464551944 /nfs/dbraw/zinc/55/19/44/464551944.db2.gz GXLIGVVQBZNRFQ-NSHDSACASA-N 1 0 329.422 2.141 20 5 EEBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000190013709 464586714 /nfs/dbraw/zinc/58/67/14/464586714.db2.gz ORFOBWPFFFMVPS-NVXWUHKLSA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000182676628 464706894 /nfs/dbraw/zinc/70/68/94/464706894.db2.gz YZRUHSGLCWXELD-GFCCVEGCSA-N 1 0 327.344 2.367 20 5 EEBDRO O=C(c1ccccc1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176201266 464718939 /nfs/dbraw/zinc/71/89/39/464718939.db2.gz IOBWMLADZMUUJV-UHFFFAOYSA-N 1 0 328.372 2.386 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176287755 464739732 /nfs/dbraw/zinc/73/97/32/464739732.db2.gz QYRMSEFWGZTANT-QGZVFWFLSA-N 1 0 343.431 2.388 20 5 EEBDRO CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000286166589 464825783 /nfs/dbraw/zinc/82/57/83/464825783.db2.gz WOJPOEHJMGODSB-ZNVLZIIHSA-N 1 0 326.418 2.205 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@H](C)CC1 ZINC000192175043 464879505 /nfs/dbraw/zinc/87/95/05/464879505.db2.gz DRSOZBXDPRHOFU-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)c(F)c1 ZINC000266982894 464893639 /nfs/dbraw/zinc/89/36/39/464893639.db2.gz BAFGSACYMSOLLU-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177178131 464951059 /nfs/dbraw/zinc/95/10/59/464951059.db2.gz GGUUFIAQVLUBEQ-NWDGAFQWSA-N 1 0 335.429 2.428 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184737091 465023001 /nfs/dbraw/zinc/02/30/01/465023001.db2.gz HESSBLNPLFTQPH-GFCCVEGCSA-N 1 0 326.784 2.142 20 5 EEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000599992178 468429997 /nfs/dbraw/zinc/42/99/97/468429997.db2.gz RKRWXMMIECVNOS-PJXYFTJBSA-N 1 0 343.305 2.246 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342918275 465387866 /nfs/dbraw/zinc/38/78/66/465387866.db2.gz ZUJPNUUNJDAXOV-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593917651 468432945 /nfs/dbraw/zinc/43/29/45/468432945.db2.gz XGZFPOZPJSBNQA-IINYFYTJSA-N 1 0 331.376 2.061 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593916536 468433024 /nfs/dbraw/zinc/43/30/24/468433024.db2.gz PXXANHAIFMQRFH-HIFRSBDPSA-N 1 0 334.420 2.373 20 5 EEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551118 465449369 /nfs/dbraw/zinc/44/93/69/465449369.db2.gz ZHNSVABFAOXTAG-RYUDHWBXSA-N 1 0 334.376 2.386 20 5 EEBDRO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360047988 465525022 /nfs/dbraw/zinc/52/50/22/465525022.db2.gz PBOTXADDBHHAHA-NSHDSACASA-N 1 0 347.337 2.425 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)nc1OCc1ccccc1 ZINC000360597120 465583148 /nfs/dbraw/zinc/58/31/48/465583148.db2.gz LCXGGVUHZXMAGW-UHFFFAOYSA-N 1 0 342.399 3.077 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299078793 465591408 /nfs/dbraw/zinc/59/14/08/465591408.db2.gz IREDOTNTEBHKCG-KBPBESRZSA-N 1 0 335.404 2.210 20 5 EEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353107155 465642598 /nfs/dbraw/zinc/64/25/98/465642598.db2.gz NMTQUVGWMPVHKB-HNNXBMFYSA-N 1 0 343.449 2.240 20 5 EEBDRO Cn1cncc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362343850 465665976 /nfs/dbraw/zinc/66/59/76/465665976.db2.gz WJPHFOBIMUZQPQ-UHFFFAOYSA-N 1 0 340.792 2.390 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357012417 465700249 /nfs/dbraw/zinc/70/02/49/465700249.db2.gz YUNZGKSWWKSXEP-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357065946 465738812 /nfs/dbraw/zinc/73/88/12/465738812.db2.gz ATXDBWSRWFFSJF-ZFWWWQNUSA-N 1 0 346.431 2.243 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000569183852 468450663 /nfs/dbraw/zinc/45/06/63/468450663.db2.gz CSLZLEAJDCTKEI-AWEZNQCLSA-N 1 0 334.420 2.460 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2C1 ZINC000349055949 465941662 /nfs/dbraw/zinc/94/16/62/465941662.db2.gz PVRUKNBLIYXCLC-LBPRGKRZSA-N 1 0 330.319 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349053880 465942021 /nfs/dbraw/zinc/94/20/21/465942021.db2.gz NBTMZZXIOSBIHU-LLVKDONJSA-N 1 0 342.355 2.067 20 5 EEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346200030 465984271 /nfs/dbraw/zinc/98/42/71/465984271.db2.gz QSGGVHHDXSXLFB-GRDNDAEWSA-N 1 0 347.415 2.162 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331422193 466077166 /nfs/dbraw/zinc/07/71/66/466077166.db2.gz UNRMNWZYLLCSKS-RFAUZJTJSA-N 1 0 339.342 2.014 20 5 EEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000331944093 466316730 /nfs/dbraw/zinc/31/67/30/466316730.db2.gz SEPJOTLSOLKKDC-OAHLLOKOSA-N 1 0 337.351 2.316 20 5 EEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)[C@H]2C1 ZINC000332199171 466443044 /nfs/dbraw/zinc/44/30/44/466443044.db2.gz FJABVNDLSWVBMY-DLBZAZTESA-N 1 0 347.415 2.147 20 5 EEBDRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000305761826 466452957 /nfs/dbraw/zinc/45/29/57/466452957.db2.gz FDWFLGPBAMTHJF-AWEZNQCLSA-N 1 0 329.356 2.247 20 5 EEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347388686 466604455 /nfs/dbraw/zinc/60/44/55/466604455.db2.gz YRVCZOXQKKWIPN-OAHLLOKOSA-N 1 0 347.415 2.164 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000322576557 466633255 /nfs/dbraw/zinc/63/32/55/466633255.db2.gz QZTUVVFANLTGCH-YPMHNXCESA-N 1 0 339.417 2.037 20 5 EEBDRO C[C@H](CO)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)c1ccccc1 ZINC000347443635 466634058 /nfs/dbraw/zinc/63/40/58/466634058.db2.gz FYKMDZBANQNEOU-ZIAGYGMSSA-N 1 0 332.404 2.315 20 5 EEBDRO CC(C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000323750043 466640690 /nfs/dbraw/zinc/64/06/90/466640690.db2.gz SDUUMDJZHVFWFG-CYBMUJFWSA-N 1 0 341.843 2.327 20 5 EEBDRO C[NH2+]CCc1ccccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000423222266 466699453 /nfs/dbraw/zinc/69/94/53/466699453.db2.gz AJWTZRXLGDXZBY-UHFFFAOYSA-N 1 0 327.384 2.329 20 5 EEBDRO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373283981 466752509 /nfs/dbraw/zinc/75/25/09/466752509.db2.gz JNPOLRLUNLTCME-CYBMUJFWSA-N 1 0 349.435 2.266 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000423495790 466758259 /nfs/dbraw/zinc/75/82/59/466758259.db2.gz VLZVEGHVFOOYFX-ZIAGYGMSSA-N 1 0 339.461 2.434 20 5 EEBDRO CN1CC[NH2+]C[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531252 466768374 /nfs/dbraw/zinc/76/83/74/466768374.db2.gz ZSKSFJFXGYBZIW-MOPGFXCFSA-N 1 0 340.427 2.177 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373405227 466792958 /nfs/dbraw/zinc/79/29/58/466792958.db2.gz NOKARFFRVFSSDY-QWHCGFSZSA-N 1 0 333.388 2.350 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423648519 466795603 /nfs/dbraw/zinc/79/56/03/466795603.db2.gz DYKCSHMXICPXHE-LLVKDONJSA-N 1 0 337.376 2.019 20 5 EEBDRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732295 466816815 /nfs/dbraw/zinc/81/68/15/466816815.db2.gz YZNSEDLJEBWOMC-CYBMUJFWSA-N 1 0 335.429 2.181 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC(F)F)C2)n1 ZINC000417388404 466847185 /nfs/dbraw/zinc/84/71/85/466847185.db2.gz ONWFDPYNERZTQM-JHJVBQTASA-N 1 0 343.378 2.204 20 5 EEBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370447319 466882428 /nfs/dbraw/zinc/88/24/28/466882428.db2.gz MJHWVSTUDLYZEO-CZUORRHYSA-N 1 0 328.372 2.235 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934047 466991277 /nfs/dbraw/zinc/99/12/77/466991277.db2.gz FGHDDUJZVVUEOE-UHFFFAOYSA-N 1 0 342.399 2.308 20 5 EEBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000377024464 467001516 /nfs/dbraw/zinc/00/15/16/467001516.db2.gz ZKWOEYIMXRNGIC-CQSZACIVSA-N 1 0 333.388 2.222 20 5 EEBDRO O=C(CN1CCC[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000377541444 467083063 /nfs/dbraw/zinc/08/30/63/467083063.db2.gz CZGDKAMUSIZASY-GFCCVEGCSA-N 1 0 333.344 2.136 20 5 EEBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000377850593 467152772 /nfs/dbraw/zinc/15/27/72/467152772.db2.gz FVMIBLCQHHISIU-NSHDSACASA-N 1 0 346.412 2.416 20 5 EEBDRO C[C@@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000413176865 467184689 /nfs/dbraw/zinc/18/46/89/467184689.db2.gz APEALSNRYYTAKY-VXGBXAGGSA-N 1 0 326.372 2.430 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420325890 467356838 /nfs/dbraw/zinc/35/68/38/467356838.db2.gz BZWGGTDHPJEKDO-WFASDCNBSA-N 1 0 334.420 2.291 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420355091 467375248 /nfs/dbraw/zinc/37/52/48/467375248.db2.gz BQAKTULWPPVYAB-QOFRNUMZSA-N 1 0 334.420 2.206 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420376108 467384554 /nfs/dbraw/zinc/38/45/54/467384554.db2.gz JOMJZJWJSVXLAD-WBVHZDCISA-N 1 0 337.395 2.452 20 5 EEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000420384225 467388765 /nfs/dbraw/zinc/38/87/65/467388765.db2.gz GEWHNGMFDCSPJL-SUMWQHHRSA-N 1 0 337.395 2.452 20 5 EEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000387686131 467394816 /nfs/dbraw/zinc/39/48/16/467394816.db2.gz UDUWWTVLEWFJMA-MRXNPFEDSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@](C[NH3+])(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414928336 467452082 /nfs/dbraw/zinc/45/20/82/467452082.db2.gz ARISCAVBWYUEMK-AWEZNQCLSA-N 1 0 344.318 2.445 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000453432040 467489510 /nfs/dbraw/zinc/48/95/10/467489510.db2.gz VIMBVMHIXUUVTB-HNNXBMFYSA-N 1 0 344.419 2.309 20 5 EEBDRO O=C(CNc1ccc([N+](=O)[O-])cc1F)NCC[NH+]1CCCCCC1 ZINC000431488373 467519852 /nfs/dbraw/zinc/51/98/52/467519852.db2.gz ZMHKXYFHJKSYLJ-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415293153 467536783 /nfs/dbraw/zinc/53/67/83/467536783.db2.gz IIFPMYSYCUWFNL-VXGBXAGGSA-N 1 0 336.392 2.446 20 5 EEBDRO C[C@H](CC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449142994 467620507 /nfs/dbraw/zinc/62/05/07/467620507.db2.gz PHOSXXLMRPVAMN-GFCCVEGCSA-N 1 0 343.449 2.287 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449202286 467623194 /nfs/dbraw/zinc/62/31/94/467623194.db2.gz JUQXDHWVCUBYCB-KGLIPLIRSA-N 1 0 333.388 2.065 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000449446348 467646758 /nfs/dbraw/zinc/64/67/58/467646758.db2.gz PMHPDAJEDCIPPS-LBPRGKRZSA-N 1 0 340.401 2.084 20 5 EEBDRO CC[C@H]([NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449601776 467669100 /nfs/dbraw/zinc/66/91/00/467669100.db2.gz SAGMSOVFYRCREP-JTQLQIEISA-N 1 0 348.325 2.269 20 5 EEBDRO Cc1nc(CN2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000450321707 467826441 /nfs/dbraw/zinc/82/64/41/467826441.db2.gz UIROSCZDHCMEBE-UHFFFAOYSA-N 1 0 348.432 2.170 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000458465866 467839754 /nfs/dbraw/zinc/83/97/54/467839754.db2.gz UUKOJAZLHHLVBE-AWEZNQCLSA-N 1 0 334.420 2.168 20 5 EEBDRO C[C@H](CCCO)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450633267 467883354 /nfs/dbraw/zinc/88/33/54/467883354.db2.gz YKGBMTWHORTEHC-CQSZACIVSA-N 1 0 337.420 2.248 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000516397313 468026683 /nfs/dbraw/zinc/02/66/83/468026683.db2.gz PSQXJNLGOMFMAP-OKILXGFUSA-N 1 0 336.436 2.421 20 5 EEBDRO C[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)n1ccnc1 ZINC000516774290 468045966 /nfs/dbraw/zinc/04/59/66/468045966.db2.gz LKMCGDANGOYFTI-CQSZACIVSA-N 1 0 343.387 2.091 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000590146222 468218856 /nfs/dbraw/zinc/21/88/56/468218856.db2.gz LQNLCQDNMAGVSJ-CQSZACIVSA-N 1 0 333.413 2.487 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000591729126 468512078 /nfs/dbraw/zinc/51/20/78/468512078.db2.gz ZFNIKNOCIIQYRS-SFHVURJKSA-N 1 0 329.400 2.177 20 5 EEBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417633 468578776 /nfs/dbraw/zinc/57/87/76/468578776.db2.gz CXJQGJURVVHLLY-AAEUAGOBSA-N 1 0 335.408 2.017 20 5 EEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597572989 468603627 /nfs/dbraw/zinc/60/36/27/468603627.db2.gz VVBPKXRRPCBSLJ-HNNXBMFYSA-N 1 0 331.416 2.328 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594521700 468615101 /nfs/dbraw/zinc/61/51/01/468615101.db2.gz NVLWEXJCYKDLLM-GXTWGEPZSA-N 1 0 329.404 2.192 20 5 EEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254495 468665398 /nfs/dbraw/zinc/66/53/98/468665398.db2.gz FFIXTWOMPXZPNF-LSDHHAIUSA-N 1 0 347.415 2.212 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592329160 468678048 /nfs/dbraw/zinc/67/80/48/468678048.db2.gz NLNWSQACRGAMRA-JTQLQIEISA-N 1 0 331.294 2.486 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592380762 468686105 /nfs/dbraw/zinc/68/61/05/468686105.db2.gz YJPOLOPHWYKHIL-UHFFFAOYSA-N 1 0 347.824 2.059 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597856093 468694628 /nfs/dbraw/zinc/69/46/28/468694628.db2.gz XBUZFGHSDDCPTE-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C)([NH3+])CC1 ZINC000592543839 468727055 /nfs/dbraw/zinc/72/70/55/468727055.db2.gz PJKJWYBGZUZHCN-JTQLQIEISA-N 1 0 341.795 2.355 20 5 EEBDRO C[NH2+]CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000583870014 468768293 /nfs/dbraw/zinc/76/82/93/468768293.db2.gz SYANWBXPKCTKKF-UHFFFAOYSA-N 1 0 348.222 2.248 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000601221724 468787070 /nfs/dbraw/zinc/78/70/70/468787070.db2.gz QKEZRZMNECSDHU-UKRRQHHQSA-N 1 0 342.399 2.421 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223201 468787642 /nfs/dbraw/zinc/78/76/42/468787642.db2.gz ROXUPMJQBCADFN-OAHLLOKOSA-N 1 0 346.431 2.245 20 5 EEBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)c1 ZINC000601240986 468794248 /nfs/dbraw/zinc/79/42/48/468794248.db2.gz UAHYRFZIFORQAX-AWEZNQCLSA-N 1 0 328.372 2.236 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560525325 468826387 /nfs/dbraw/zinc/82/63/87/468826387.db2.gz LZFITZFJIAQKTH-WMLDXEAASA-N 1 0 343.431 2.349 20 5 EEBDRO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC000571777572 468839707 /nfs/dbraw/zinc/83/97/07/468839707.db2.gz YRGMRHMLPJLETM-CHWSQXEVSA-N 1 0 332.404 2.051 20 5 EEBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593056353 468854546 /nfs/dbraw/zinc/85/45/46/468854546.db2.gz GWAMCILTLZJKNY-HIFRSBDPSA-N 1 0 338.404 2.224 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058777 468855557 /nfs/dbraw/zinc/85/55/57/468855557.db2.gz OJUSVFIBCMDXJD-RRFJBIMHSA-N 1 0 338.404 2.224 20 5 EEBDRO O=[N+]([O-])c1ccn(CCN2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000595508757 468882179 /nfs/dbraw/zinc/88/21/79/468882179.db2.gz BHDKREHEDLUBKD-UHFFFAOYSA-N 1 0 329.404 2.046 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000595523085 468887841 /nfs/dbraw/zinc/88/78/41/468887841.db2.gz HMEXADMZYWZWNT-IYBDPMFKSA-N 1 0 347.463 2.090 20 5 EEBDRO COc1ccc(CC(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593189258 468898832 /nfs/dbraw/zinc/89/88/32/468898832.db2.gz ZHNJKQOQJIACDH-JHJVBQTASA-N 1 0 335.404 2.085 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593187829 468899134 /nfs/dbraw/zinc/89/91/34/468899134.db2.gz UNIJBQJBYDYJGG-BFHYXJOUSA-N 1 0 334.420 2.336 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000572332003 468917140 /nfs/dbraw/zinc/91/71/40/468917140.db2.gz DLZGOANGHPZGFA-UHFFFAOYSA-N 1 0 339.367 2.204 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000593355814 468948523 /nfs/dbraw/zinc/94/85/23/468948523.db2.gz JSBAPFQMHKTGAW-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595699924 468960028 /nfs/dbraw/zinc/96/00/28/468960028.db2.gz PLKLALRKCSSVHV-XJKSGUPXSA-N 1 0 335.404 2.041 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3CCO)CC2)cn1 ZINC000602623179 468971927 /nfs/dbraw/zinc/97/19/27/468971927.db2.gz FVCPABQHOMFNHS-XJKSGUPXSA-N 1 0 334.420 2.099 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716553 468972040 /nfs/dbraw/zinc/97/20/40/468972040.db2.gz MSZYLDFZUYCCMR-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000562588005 468998826 /nfs/dbraw/zinc/99/88/26/468998826.db2.gz AOIYQDGSKHUKST-RBSFLKMASA-N 1 0 338.404 2.002 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000614711003 469024722 /nfs/dbraw/zinc/02/47/22/469024722.db2.gz DAGTXXKUUFBMEA-HUUCEWRRSA-N 1 0 346.431 2.408 20 5 EEBDRO O=[N+]([O-])c1sc(C[NH2+]CCOCCF)cc1Br ZINC000602716345 469029346 /nfs/dbraw/zinc/02/93/46/469029346.db2.gz UBKNLFPOXVNPHV-UHFFFAOYSA-N 1 0 327.175 2.495 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595832042 469031167 /nfs/dbraw/zinc/03/11/67/469031167.db2.gz OUHZTZJSKOKPKL-AWEZNQCLSA-N 1 0 347.415 2.438 20 5 EEBDRO CCC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610799201 469074756 /nfs/dbraw/zinc/07/47/56/469074756.db2.gz KOPXWGFBNQTBBB-HNNXBMFYSA-N 1 0 343.449 2.307 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000598988361 469077567 /nfs/dbraw/zinc/07/75/67/469077567.db2.gz QGHUCDYQTSSOLB-LBPRGKRZSA-N 1 0 329.347 2.423 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000602814281 469092061 /nfs/dbraw/zinc/09/20/61/469092061.db2.gz ZCKCROBBOZSFQO-QGZVFWFLSA-N 1 0 328.372 2.231 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([NH+]2CCOCC2)CC1 ZINC000599106156 469121284 /nfs/dbraw/zinc/12/12/84/469121284.db2.gz STMOODZKQRJXLD-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CO2 ZINC000562998062 469129854 /nfs/dbraw/zinc/12/98/54/469129854.db2.gz YXMUPYZRVJSEOZ-WMLDXEAASA-N 1 0 344.367 2.366 20 5 EEBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000599138931 469133904 /nfs/dbraw/zinc/13/39/04/469133904.db2.gz KUSZLKIZJRMUGD-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000588311626 469138639 /nfs/dbraw/zinc/13/86/39/469138639.db2.gz ISXNUVIGORYCQI-CJNGLKHVSA-N 1 0 332.404 2.363 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596077693 469143260 /nfs/dbraw/zinc/14/32/60/469143260.db2.gz NQOYKAHUXVDBQJ-STQMWFEESA-N 1 0 334.420 2.474 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000588365276 469143994 /nfs/dbraw/zinc/14/39/94/469143994.db2.gz LQEOACBVJNLZBS-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602955151 469188592 /nfs/dbraw/zinc/18/85/92/469188592.db2.gz YGRTWTBWMHHROC-OLZOCXBDSA-N 1 0 335.408 2.057 20 5 EEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC12CCCCC2 ZINC000596251472 469221609 /nfs/dbraw/zinc/22/16/09/469221609.db2.gz UASKHDOUYZAIQD-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570726 469303928 /nfs/dbraw/zinc/30/39/28/469303928.db2.gz NCQGEPKLZKNORX-CQSZACIVSA-N 1 0 346.431 2.488 20 5 EEBDRO CN(C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000602504827 469341772 /nfs/dbraw/zinc/34/17/72/469341772.db2.gz WOQJCQMFSMQDGC-UHFFFAOYSA-N 1 0 347.463 2.423 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000619566956 469640821 /nfs/dbraw/zinc/64/08/21/469640821.db2.gz CQXGBNQKWAPGSI-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000619872106 469693383 /nfs/dbraw/zinc/69/33/83/469693383.db2.gz ZLWZLRNZONPQOU-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1c(NC(=O)CC[NH+]2CCC(C)(CO)CC2)cccc1[N+](=O)[O-] ZINC000186964012 533899518 /nfs/dbraw/zinc/89/95/18/533899518.db2.gz JXHIZYUZJBLKAL-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO CC1(C)C[C@H](O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451813833 534899669 /nfs/dbraw/zinc/89/96/69/534899669.db2.gz SSPNNUTZWSXPGU-OAHLLOKOSA-N 1 0 335.404 2.406 20 5 EEBDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685584 528686338 /nfs/dbraw/zinc/68/63/38/528686338.db2.gz PDIBAMULJRWSGG-KBPBESRZSA-N 1 0 337.420 2.485 20 5 EEBDRO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)CC(C)(C)C ZINC000738098555 577999246 /nfs/dbraw/zinc/99/92/46/577999246.db2.gz JYOIXXAZHMATNA-UHFFFAOYSA-N 1 0 334.376 2.299 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000733299390 577220983 /nfs/dbraw/zinc/22/09/83/577220983.db2.gz CRFALXYJLDHERX-AWEZNQCLSA-N 1 0 346.431 2.454 20 5 EEBDRO CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000772576276 577283543 /nfs/dbraw/zinc/28/35/43/577283543.db2.gz DLCVPBQBWUPPGU-STQMWFEESA-N 1 0 347.444 2.259 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000776592285 577463741 /nfs/dbraw/zinc/46/37/41/577463741.db2.gz WIQDVQURSBJGGR-ZWKOTPCHSA-N 1 0 328.368 2.220 20 5 EEBDRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777444976 577479040 /nfs/dbraw/zinc/47/90/40/577479040.db2.gz CSSCXDUEWQIPQJ-QGZVFWFLSA-N 1 0 329.356 2.376 20 5 EEBDRO CC(=O)N1CCC([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000769483225 577578935 /nfs/dbraw/zinc/57/89/35/577578935.db2.gz NWUNPBONPICMNW-UHFFFAOYSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000763069265 577714228 /nfs/dbraw/zinc/71/42/28/577714228.db2.gz UMTYBMUZFAGPFG-IINYFYTJSA-N 1 0 332.360 2.456 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020791213 675496874 /nfs/dbraw/zinc/49/68/74/675496874.db2.gz SPVRYHNJKNYKGS-HDJSIYSDSA-N 1 0 329.356 2.167 20 5 EEBDRO COc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1[N+](=O)[O-] ZINC000933063835 676424314 /nfs/dbraw/zinc/42/43/14/676424314.db2.gz QHCJNUFDIHHVSW-CQSZACIVSA-N 1 0 336.388 2.109 20 5 EEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000891605933 676715290 /nfs/dbraw/zinc/71/52/90/676715290.db2.gz CFSDQJPPGNDIQF-AWEZNQCLSA-N 1 0 334.420 2.215 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000891849690 676862914 /nfs/dbraw/zinc/86/29/14/676862914.db2.gz UZVGYMXVLLMXNZ-CQSZACIVSA-N 1 0 334.420 2.481 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC000983175871 681943733 /nfs/dbraw/zinc/94/37/33/681943733.db2.gz PFFVINFSSPUGBH-NNUKFRKNSA-N 1 0 329.356 2.486 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)cc1[N+](=O)[O-] ZINC000892715045 682826614 /nfs/dbraw/zinc/82/66/14/682826614.db2.gz VDUMKSTUHKTZRR-STQMWFEESA-N 1 0 340.351 2.327 20 5 EEBDRO Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025679792 683231860 /nfs/dbraw/zinc/23/18/60/683231860.db2.gz MZKHIKXBKHADHB-ZSHCYNCHSA-N 1 0 341.367 2.356 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC000983796368 683507423 /nfs/dbraw/zinc/50/74/23/683507423.db2.gz PGRARZIOCQLBMT-AULYBMBSSA-N 1 0 346.412 2.350 20 5 EEBDRO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001059280265 683930891 /nfs/dbraw/zinc/93/08/91/683930891.db2.gz XGLKDTXOFVQDOT-WKILWMFISA-N 1 0 346.431 2.386 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(F)c[nH]1 ZINC000984338784 684437916 /nfs/dbraw/zinc/43/79/16/684437916.db2.gz FYWLSPPHSVWXGK-MQMHXKEQSA-N 1 0 346.362 2.360 20 5 EEBDRO C[NH+]1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000312342667 684488696 /nfs/dbraw/zinc/48/86/96/684488696.db2.gz JADHJMFLPGECNP-UHFFFAOYSA-N 1 0 343.225 2.017 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C(F)F)CC1 ZINC000985192232 686068213 /nfs/dbraw/zinc/06/82/13/686068213.db2.gz HFCKQPNGDFSQKE-UHFFFAOYSA-N 1 0 327.331 2.283 20 5 EEBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000929120401 691561970 /nfs/dbraw/zinc/56/19/70/691561970.db2.gz AGSIODMKCCBHMX-UHFFFAOYSA-N 1 0 344.774 2.136 20 5 EEBDRO Cc1ncoc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990689967 693225499 /nfs/dbraw/zinc/22/54/99/693225499.db2.gz QRELKVMRFFCWHR-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cc1c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000898627243 693401535 /nfs/dbraw/zinc/40/15/35/693401535.db2.gz RHTHKFHBUDWCPI-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943102 1189123667 /nfs/dbraw/zinc/12/36/67/1189123667.db2.gz LBORSADAMHFXNJ-NVXWUHKLSA-N 1 0 347.459 2.472 20 5 EEBDRO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001005380763 1195341455 /nfs/dbraw/zinc/34/14/55/1195341455.db2.gz GIUJSZLVZSWTGB-QZTJIDSGSA-N 1 0 345.443 2.391 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865576287 1198283840 /nfs/dbraw/zinc/28/38/40/1198283840.db2.gz IAROFQLKLNPXMG-AWEZNQCLSA-N 1 0 335.379 2.363 20 5 EEBDRO Cc1c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873095927 1198498406 /nfs/dbraw/zinc/49/84/06/1198498406.db2.gz RLZGGTWSJDQPPR-WMZOPIPTSA-N 1 0 330.384 2.477 20 5 EEBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000876529748 1199658667 /nfs/dbraw/zinc/65/86/67/1199658667.db2.gz GXJCDOFIMSIUPT-SFHVURJKSA-N 1 0 349.431 2.158 20 5 EEBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000825997418 1200067664 /nfs/dbraw/zinc/06/76/64/1200067664.db2.gz BYKATCOBRSNRBY-GJZGRUSLSA-N 1 0 337.420 2.111 20 5 EEBDRO CSC1(CNc2nc3ccccn3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000811854184 1200360966 /nfs/dbraw/zinc/36/09/66/1200360966.db2.gz SDMQWHAIDNDWKV-UHFFFAOYSA-N 1 0 335.433 2.482 20 5 EEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000812393970 1200692009 /nfs/dbraw/zinc/69/20/09/1200692009.db2.gz VEIBKBKRPZRGOK-NSHDSACASA-N 1 0 338.364 2.353 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000880251178 1201436349 /nfs/dbraw/zinc/43/63/49/1201436349.db2.gz JAOABWBMAHLGQC-OAHLLOKOSA-N 1 0 343.431 2.479 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CCOCC1 ZINC000866308757 1201489655 /nfs/dbraw/zinc/48/96/55/1201489655.db2.gz GEHZOKSIIYZRRC-LBPRGKRZSA-N 1 0 326.368 2.044 20 5 EEBDRO C[C@]([NH3+])(C(=O)NCCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867950742 1201713222 /nfs/dbraw/zinc/71/32/22/1201713222.db2.gz FAPJVCQLAUBKNM-LLVKDONJSA-N 1 0 337.323 2.138 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885969478 1202460608 /nfs/dbraw/zinc/46/06/08/1202460608.db2.gz SZPOMJYVIGQTOT-CQSZACIVSA-N 1 0 336.388 2.421 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 ZINC000927706164 1206293393 /nfs/dbraw/zinc/29/33/93/1206293393.db2.gz OZLLBSDIMVJVMC-UHFFFAOYSA-N 1 0 343.387 2.052 20 5 EEBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929618382 1206490099 /nfs/dbraw/zinc/49/00/99/1206490099.db2.gz PWGVUYWNFLYFCE-DLBZAZTESA-N 1 0 329.400 2.441 20 5 EEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930622185 1206571196 /nfs/dbraw/zinc/57/11/96/1206571196.db2.gz ZOKUGYZKUBQHGH-UHFFFAOYSA-N 1 0 343.387 2.137 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931651066 1207433300 /nfs/dbraw/zinc/43/33/00/1207433300.db2.gz DRRKLRXPMYGWHO-GVDBMIGSSA-N 1 0 329.400 2.395 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931959710 1207497047 /nfs/dbraw/zinc/49/70/47/1207497047.db2.gz FACOPNAWDVQTDM-IAGOWNOFSA-N 1 0 331.416 2.499 20 5 EEBDRO C[C@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703289 1207820454 /nfs/dbraw/zinc/82/04/54/1207820454.db2.gz DFSPNVKDTCCJOX-ZHEXZJMTSA-N 1 0 344.411 2.479 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933798433 1207844293 /nfs/dbraw/zinc/84/42/93/1207844293.db2.gz PGDZUYKYFDFRCH-IAOVAPTHSA-N 1 0 331.416 2.499 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCN1C ZINC000935211989 1208115908 /nfs/dbraw/zinc/11/59/08/1208115908.db2.gz FIWCKCQTYORFFM-SFYZADRCSA-N 1 0 344.774 2.134 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000078231742 1210118053 /nfs/dbraw/zinc/11/80/53/1210118053.db2.gz OSZXOHYGNLKXEF-LBPRGKRZSA-N 1 0 336.348 2.026 20 5 EEBDRO CC(C)(C)C(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001111317442 1210294094 /nfs/dbraw/zinc/29/40/94/1210294094.db2.gz WVTHSEWNIYWQDW-UHFFFAOYSA-N 1 0 349.435 2.028 20 5 EEBDRO CCN(CCCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095885743 1213986990 /nfs/dbraw/zinc/98/69/90/1213986990.db2.gz FHUZJRAQIXSUQO-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097053149 1243631547 /nfs/dbraw/zinc/63/15/47/1243631547.db2.gz LOQZFUVKXZICFS-JOCQHMNTSA-N 1 0 338.383 2.135 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000721068130 1277782201 /nfs/dbraw/zinc/78/22/01/1277782201.db2.gz UYALZVMKFIGMKY-RKDXNWHRSA-N 1 0 329.198 2.410 20 5 EEBDRO CC(C)OCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199400819 1285653425 /nfs/dbraw/zinc/65/34/25/1285653425.db2.gz LVKZOHKEIWAVSM-UHFFFAOYSA-N 1 0 349.431 2.491 20 5 EEBDRO CC(C)OCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199603898 1285732439 /nfs/dbraw/zinc/73/24/39/1285732439.db2.gz NZGOSSKLEPADES-UHFFFAOYSA-N 1 0 335.404 2.100 20 5 EEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000854738311 1292934532 /nfs/dbraw/zinc/93/45/32/1292934532.db2.gz ZKNWCYRSEWLPGL-INIZCTEOSA-N 1 0 348.359 2.061 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857763883 1293910558 /nfs/dbraw/zinc/91/05/58/1293910558.db2.gz AHRPERVTUVCOGJ-LLVKDONJSA-N 1 0 343.330 2.024 20 5 EEBDRO COc1cc(CCNc2cc[nH+]c(CO)c2)c([N+](=O)[O-])cc1OC ZINC000858328419 1294085412 /nfs/dbraw/zinc/08/54/12/1294085412.db2.gz MHRSIGPWQQKVMO-UHFFFAOYSA-N 1 0 333.344 2.154 20 5 EEBDRO O=c1c2cccc(O)c2oc2cc(O)cc(O[C@H]3CCC[NH2+]C3)c12 ZINC001218286710 1297623393 /nfs/dbraw/zinc/62/33/93/1297623393.db2.gz JDXPPICUPIZLJP-NSHDSACASA-N 1 0 327.336 2.488 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1 ZINC001218356671 1297641111 /nfs/dbraw/zinc/64/11/11/1297641111.db2.gz RCOKRWUKCDXAQF-PBHICJAKSA-N 1 0 337.484 2.372 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001222791382 1299863760 /nfs/dbraw/zinc/86/37/60/1299863760.db2.gz PVBYFKYZUUETHQ-NXOAAHMSSA-N 1 0 334.372 2.278 20 5 EEBDRO CC(=O)Oc1ccc2c(CO[C@H](C)C[N+](C)(C)C)cc(=O)oc2c1 ZINC001223648162 1300208527 /nfs/dbraw/zinc/20/85/27/1300208527.db2.gz SJYUJBCPXYJPTG-GFCCVEGCSA-N 1 0 334.392 2.330 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](OCC[N+](C)(C)C)CS2 ZINC001224770507 1300730937 /nfs/dbraw/zinc/73/09/37/1300730937.db2.gz BBPQOEZCPYOJAN-ZDUSSCGKSA-N 1 0 331.502 2.204 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546155 1301052850 /nfs/dbraw/zinc/05/28/50/1301052850.db2.gz MEAJCBHEDFQYIP-JTQLQIEISA-N 1 0 333.348 2.066 20 5 EEBDRO CC[NH+]1CCC(Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)CC1 ZINC001226442112 1301413596 /nfs/dbraw/zinc/41/35/96/1301413596.db2.gz XILYPWMUBZCCGE-UHFFFAOYSA-N 1 0 338.360 2.253 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1 ZINC001227049140 1301665693 /nfs/dbraw/zinc/66/56/93/1301665693.db2.gz OMADLUUIYHZKID-VIKVFOODSA-N 1 0 334.372 2.491 20 5 EEBDRO C[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227498169 1301854058 /nfs/dbraw/zinc/85/40/58/1301854058.db2.gz LXEGUIGGKRRMTB-SNVBAGLBSA-N 1 0 340.292 2.274 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228140598 1302122041 /nfs/dbraw/zinc/12/20/41/1302122041.db2.gz KDRQXCHDTUAWOA-JSGCOSHPSA-N 1 0 344.371 2.380 20 5 EEBDRO C[NH+](C)CCC(=O)NCCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001103699183 1303242061 /nfs/dbraw/zinc/24/20/61/1303242061.db2.gz DLZGCCSIAYKQRR-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)n1C ZINC001233915873 1304639124 /nfs/dbraw/zinc/63/91/24/1304639124.db2.gz IIBYOPMFIOFBNA-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234359639 1304897963 /nfs/dbraw/zinc/89/79/63/1304897963.db2.gz IXVZTLRSTFYPJZ-OAHLLOKOSA-N 1 0 335.404 2.293 20 5 EEBDRO COCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115368563 1304995354 /nfs/dbraw/zinc/99/53/54/1304995354.db2.gz VDSPCCKQKAMRMG-UHFFFAOYSA-N 1 0 335.404 2.150 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC001119343687 1309053837 /nfs/dbraw/zinc/05/38/37/1309053837.db2.gz LHVPOFWFCIPTLV-WBVHZDCISA-N 1 0 342.399 2.178 20 5 EEBDRO Cn1c2ccccc2c(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1=O ZINC001120014071 1309281829 /nfs/dbraw/zinc/28/18/29/1309281829.db2.gz HSYAUNPCAVSELS-UHFFFAOYSA-N 1 0 330.388 2.345 20 5 EEBDRO Cc1ccc(C[N@H+]2CCCN(c3c([N+](=O)[O-])cnn3C)CC2)cc1 ZINC001120014735 1309283407 /nfs/dbraw/zinc/28/34/07/1309283407.db2.gz OPFJYRRYHMTJIQ-UHFFFAOYSA-N 1 0 329.404 2.349 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2[C@@H](C)CC[C@H]2C[NH3+])c1F ZINC001246548155 1310336380 /nfs/dbraw/zinc/33/63/80/1310336380.db2.gz RMXJVMMMKSIJQQ-TUAOUCFPSA-N 1 0 325.384 2.485 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC[C@]23CC[NH2+]C3)n1 ZINC001247936481 1310789235 /nfs/dbraw/zinc/78/92/35/1310789235.db2.gz QNNHBGOIZLXSCM-MEBBXXQBSA-N 1 0 333.323 2.426 20 5 EEBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000834400877 1314834430 /nfs/dbraw/zinc/83/44/30/1314834430.db2.gz BLWBXCCENHUBNK-OAHLLOKOSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000839986982 1315268992 /nfs/dbraw/zinc/26/89/92/1315268992.db2.gz CSURSXMQRQUNQE-NVXWUHKLSA-N 1 0 331.372 2.364 20 5 EEBDRO O=[N+]([O-])c1ccc(CCc2nc([C@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC000842640927 1315742723 /nfs/dbraw/zinc/74/27/23/1315742723.db2.gz XOZMNDNZIYKUFR-LLVKDONJSA-N 1 0 333.304 2.096 20 5 EEBDRO C[NH2+]C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843053311 1315830720 /nfs/dbraw/zinc/83/07/20/1315830720.db2.gz UYHMITSTZJCGHM-SNVBAGLBSA-N 1 0 328.210 2.399 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3CC34CC[NH2+]CC4)n2)ccc1[N+](=O)[O-] ZINC000843192689 1315863744 /nfs/dbraw/zinc/86/37/44/1315863744.db2.gz WYIZJESWDNDQJB-LBPRGKRZSA-N 1 0 344.371 2.434 20 5 EEBDRO O=C(COC1CCCC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155054881 1317435630 /nfs/dbraw/zinc/43/56/30/1317435630.db2.gz FRWADPXFBSKMGE-UHFFFAOYSA-N 1 0 341.433 2.211 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC001156563788 1318076597 /nfs/dbraw/zinc/07/65/97/1318076597.db2.gz LXZGNYNXQXVNRX-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1F ZINC001157166665 1318454894 /nfs/dbraw/zinc/45/48/94/1318454894.db2.gz SMOSPYHRQSRZEO-LBPRGKRZSA-N 1 0 342.371 2.380 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256083656 1318642999 /nfs/dbraw/zinc/64/29/99/1318642999.db2.gz VAPMEMBCLYGKET-DZGCQCFKSA-N 1 0 335.404 2.075 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)C(C)(C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256090674 1318644246 /nfs/dbraw/zinc/64/42/46/1318644246.db2.gz WPCMDUSUJJLJLS-UHFFFAOYSA-N 1 0 336.436 2.241 20 5 EEBDRO Cc1cnccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157602657 1318737323 /nfs/dbraw/zinc/73/73/23/1318737323.db2.gz DXMJKPXECQYLRR-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001157652217 1318772670 /nfs/dbraw/zinc/77/26/70/1318772670.db2.gz HMASBLNMSLODSX-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO CCc1cc(N2CC[C@](F)(C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157816689 1318881453 /nfs/dbraw/zinc/88/14/53/1318881453.db2.gz LXECBWHGBGBKTF-KRWDZBQOSA-N 1 0 345.378 2.491 20 5 EEBDRO Nc1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160046307 1320056558 /nfs/dbraw/zinc/05/65/58/1320056558.db2.gz SGSITKMYDQEBHZ-UHFFFAOYSA-N 1 0 331.351 2.469 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])n1 ZINC001160195899 1320095359 /nfs/dbraw/zinc/09/53/59/1320095359.db2.gz OWSMPAXRKRBTAU-SECBINFHSA-N 1 0 335.751 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)cnc2c1 ZINC001160736890 1320253560 /nfs/dbraw/zinc/25/35/60/1320253560.db2.gz NPYHDBRAGYIBCT-UWVGGRQHSA-N 1 0 341.293 2.490 20 5 EEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160738894 1320254107 /nfs/dbraw/zinc/25/41/07/1320254107.db2.gz VNHGTXGCMXPPRS-JQWIXIFHSA-N 1 0 341.293 2.490 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001161885239 1320661845 /nfs/dbraw/zinc/66/18/45/1320661845.db2.gz KCOXUGRWBLOLDB-INIZCTEOSA-N 1 0 328.372 2.305 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162102522 1320749807 /nfs/dbraw/zinc/74/98/07/1320749807.db2.gz LUMUHTZKNUVCBA-AWEZNQCLSA-N 1 0 336.436 2.396 20 5 EEBDRO CN1CCO[C@@H](CNc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001162687412 1320930479 /nfs/dbraw/zinc/93/04/79/1320930479.db2.gz BGEGLAXKZYLYBG-JTQLQIEISA-N 1 0 335.282 2.236 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c2ccncc21 ZINC001163325804 1321098713 /nfs/dbraw/zinc/09/87/13/1321098713.db2.gz YWPDDWSUKABHDZ-PXAZEXFGSA-N 1 0 328.372 2.466 20 5 EEBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165237491 1321480886 /nfs/dbraw/zinc/48/08/86/1321480886.db2.gz XQSXAIRQEPNOEV-GFCCVEGCSA-N 1 0 332.191 2.272 20 5 EEBDRO [NH3+][C@H]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166959938 1321826416 /nfs/dbraw/zinc/82/64/16/1321826416.db2.gz DLXJBZUSFWGPPD-LURJTMIESA-N 1 0 327.118 2.469 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCCN2CCSC[C@H]12 ZINC001307208859 1329871648 /nfs/dbraw/zinc/87/16/48/1329871648.db2.gz RYKDIINYJLMVNA-GXFFZTMASA-N 1 0 338.389 2.495 20 5 EEBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603319150 1350687279 /nfs/dbraw/zinc/68/72/79/1350687279.db2.gz LVWFDXSPKXTCJN-VIFPVBQESA-N 1 0 337.359 2.055 20 5 EEBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307229368 1331519998 /nfs/dbraw/zinc/51/99/98/1331519998.db2.gz AAHKPMSCOKIQSX-RHSMWYFYSA-N 1 0 346.431 2.393 20 5 EEBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309965121 1331649575 /nfs/dbraw/zinc/64/95/75/1331649575.db2.gz HTOPDVHHKLPUHB-NSHDSACASA-N 1 0 347.412 2.133 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001317984161 1332456753 /nfs/dbraw/zinc/45/67/53/1332456753.db2.gz UYBACGKTQOWVLH-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001318058817 1332466275 /nfs/dbraw/zinc/46/62/75/1332466275.db2.gz ANPSRZGXTIBMOL-CQSZACIVSA-N 1 0 335.404 2.484 20 5 EEBDRO O=C(c1cccn1C1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326053018 1334020616 /nfs/dbraw/zinc/02/06/16/1334020616.db2.gz YPGJGCAFORSZII-UHFFFAOYSA-N 1 0 340.383 2.477 20 5 EEBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCC1 ZINC001331896613 1335669388 /nfs/dbraw/zinc/66/93/88/1335669388.db2.gz AMAMNRDKEMZQNA-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO CC(C)([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001333234561 1335987033 /nfs/dbraw/zinc/98/70/33/1335987033.db2.gz CXBSAAGOMKWAJC-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO Cn1c2ccccc2c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC001333630859 1336091195 /nfs/dbraw/zinc/09/11/95/1336091195.db2.gz XEFFXTOEDMHQPL-QWHCGFSZSA-N 1 0 342.399 2.485 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2)c1 ZINC001335497993 1336385071 /nfs/dbraw/zinc/38/50/71/1336385071.db2.gz OFCTWDIWBIMOIJ-GXTWGEPZSA-N 1 0 347.337 2.245 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(c3ccccn3)CC2)c1 ZINC001336001639 1336463683 /nfs/dbraw/zinc/46/36/83/1336463683.db2.gz GKEFZMOKCQLVCW-OAHLLOKOSA-N 1 0 343.383 2.051 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337875143 1336747124 /nfs/dbraw/zinc/74/71/24/1336747124.db2.gz FGKJRUGBRXFBNT-CQSZACIVSA-N 1 0 327.388 2.283 20 5 EEBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001339467612 1337009614 /nfs/dbraw/zinc/00/96/14/1337009614.db2.gz ORDDYQJEHZRZFJ-YDHLFZDLSA-N 1 0 348.451 2.089 20 5 EEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341153947 1337285148 /nfs/dbraw/zinc/28/51/48/1337285148.db2.gz SEGZPXFORFDXEE-NWDGAFQWSA-N 1 0 335.429 2.388 20 5 EEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001351162654 1337791009 /nfs/dbraw/zinc/79/10/09/1337791009.db2.gz JGVYUEBSRDMBTD-ZUZCIYMTSA-N 1 0 341.770 2.270 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001354486304 1338523183 /nfs/dbraw/zinc/52/31/83/1338523183.db2.gz YWAAVINRYNZNRZ-UHFFFAOYSA-N 1 0 340.811 2.381 20 5 EEBDRO CC(C)Oc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659642 1338737479 /nfs/dbraw/zinc/73/74/79/1338737479.db2.gz OJBOVNCTEDHQPO-QWHCGFSZSA-N 1 0 336.392 2.052 20 5 EEBDRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576016994 1343945930 /nfs/dbraw/zinc/94/59/30/1343945930.db2.gz KYLXVAKIQJYVPH-MGPQQGTHSA-N 1 0 334.420 2.325 20 5 EEBDRO CCOc1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c([N+](=O)[O-])cc1OCC ZINC001578170526 1344244723 /nfs/dbraw/zinc/24/47/23/1344244723.db2.gz KSVFXPHOWWCXSZ-WDEREUQCSA-N 1 0 337.376 2.458 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001578189842 1344249483 /nfs/dbraw/zinc/24/94/83/1344249483.db2.gz WAPDOSDWCZVBAK-ZBFHGGJFSA-N 1 0 334.376 2.400 20 5 EEBDRO C[NH2+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001578676676 1344293889 /nfs/dbraw/zinc/29/38/89/1344293889.db2.gz KHCRTIZLEGGZJM-AWEZNQCLSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1cc(C(=O)NCc2ccc(C[NH3+])cc2F)cc([N+](=O)[O-])c1C ZINC001579141982 1344342990 /nfs/dbraw/zinc/34/29/90/1344342990.db2.gz FILJUSWGTANMOS-UHFFFAOYSA-N 1 0 347.346 2.440 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1F ZINC001579642837 1344402386 /nfs/dbraw/zinc/40/23/86/1344402386.db2.gz YGHJLSBSDZXXTF-VIFPVBQESA-N 1 0 331.294 2.017 20 5 EEBDRO [NH3+][C@H]1C[C@@H](C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001580418813 1344518374 /nfs/dbraw/zinc/51/83/74/1344518374.db2.gz DRQURPQMJAOCCB-PTZCXBDSSA-N 1 0 335.257 2.191 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccnc([C@H]2CCC[NH2+]2)n1 ZINC001580570319 1344539145 /nfs/dbraw/zinc/53/91/45/1344539145.db2.gz YKFLBGGDTLWNMI-GFCCVEGCSA-N 1 0 345.334 2.130 20 5 EEBDRO CC(C)([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001589321448 1348983078 /nfs/dbraw/zinc/98/30/78/1348983078.db2.gz CHDCBMAXDIGDKO-AWEZNQCLSA-N 1 0 346.391 2.212 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590256992 1349232401 /nfs/dbraw/zinc/23/24/01/1349232401.db2.gz OTAKNHYWQLBIJS-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c(-c2nn[nH]n2)c1 ZINC001593477885 1349810912 /nfs/dbraw/zinc/81/09/12/1349810912.db2.gz IOXRZONPUPNJCX-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO CC[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001604063341 1350844266 /nfs/dbraw/zinc/84/42/66/1350844266.db2.gz YDYQGLQHBFCQPN-ZFWWWQNUSA-N 1 0 346.391 2.212 20 5 EEBDRO CCCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604182601 1350887521 /nfs/dbraw/zinc/88/75/21/1350887521.db2.gz JMVOEKNNOLGBOF-UHFFFAOYSA-N 1 0 345.407 2.451 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001110591618 1369076317 /nfs/dbraw/zinc/07/63/17/1369076317.db2.gz PTIHWRJYOFDMQM-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000852838035 1369306797 /nfs/dbraw/zinc/30/67/97/1369306797.db2.gz RYWYQLCXTSMULW-AWEZNQCLSA-N 1 0 346.431 2.337 20 5 EEBDRO O=[N+]([O-])c1cccc(Br)c1OC[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686232051 1369768167 /nfs/dbraw/zinc/76/81/67/1369768167.db2.gz VTHLQRBLAVRPME-SECBINFHSA-N 1 0 343.177 2.257 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000781522740 1371235726 /nfs/dbraw/zinc/23/57/26/1371235726.db2.gz FXXVPCVPGZYGEI-CQSZACIVSA-N 1 0 347.337 2.245 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cl)nc1 ZINC000783911174 1371374566 /nfs/dbraw/zinc/37/45/66/1371374566.db2.gz YCVWOBOXWWDJHA-LBPRGKRZSA-N 1 0 337.763 2.173 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001116049678 1371719681 /nfs/dbraw/zinc/71/96/81/1371719681.db2.gz HDMBXOGMHOEKTL-UHFFFAOYSA-N 1 0 334.420 2.440 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116164865 1371721942 /nfs/dbraw/zinc/72/19/42/1371721942.db2.gz SKNGNNLHELUZSX-LBPRGKRZSA-N 1 0 330.388 2.104 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000836856277 1372754093 /nfs/dbraw/zinc/75/40/93/1372754093.db2.gz LHWQVFMPPDNTGN-UHFFFAOYSA-N 1 0 341.383 2.349 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355092992 1373146705 /nfs/dbraw/zinc/14/67/05/1373146705.db2.gz BPOIXPUOHMPRGZ-FRRDWIJNSA-N 1 0 335.429 2.143 20 5 EEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC001357777193 1373219014 /nfs/dbraw/zinc/21/90/14/1373219014.db2.gz AWEDWKHYSYSAFU-OAHLLOKOSA-N 1 0 335.379 2.457 20 5 EEBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[NH2+]C1 ZINC001577657940 1403667602 /nfs/dbraw/zinc/66/76/02/1403667602.db2.gz ULNMCIPGOZDSQW-ZDUSSCGKSA-N 1 0 344.419 2.309 20 5 EEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001580251023 1403854120 /nfs/dbraw/zinc/85/41/20/1403854120.db2.gz YZOSIBNMUAGXNF-MLGOLLRUSA-N 1 0 335.429 2.417 20 5 EEBDRO Cc1cnc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001104425221 760689758 /nfs/dbraw/zinc/68/97/58/760689758.db2.gz UUDWGTMZHYXLEE-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO CC(C)CCN(C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000068961240 775064585 /nfs/dbraw/zinc/06/45/85/775064585.db2.gz DUGCESWRXOLTSH-KRWDZBQOSA-N 1 0 348.403 2.297 20 5 EEBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000846888931 790711773 /nfs/dbraw/zinc/71/17/73/790711773.db2.gz LWYBLYFEVOMDTJ-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000893829629 780207611 /nfs/dbraw/zinc/20/76/11/780207611.db2.gz QWGKKSZDDVKKON-GOSISDBHSA-N 1 0 341.415 2.431 20 5 EEBDRO C[C@H]([NH3+])c1ncc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)s1 ZINC001213208425 781521271 /nfs/dbraw/zinc/52/12/71/781521271.db2.gz XQWLGRPGUXQQBC-YFKPBYRVSA-N 1 0 336.308 2.322 20 5 EEBDRO [NH3+]CCN(Cc1cn(-c2ccccc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000809727875 783312709 /nfs/dbraw/zinc/31/27/09/783312709.db2.gz ANPAYFSHRIAWHA-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[NH2+]CCC1(F)F ZINC000818432998 785253907 /nfs/dbraw/zinc/25/39/07/785253907.db2.gz HTKAJQWCTDERRF-SNVBAGLBSA-N 1 0 333.722 2.109 20 5 EEBDRO C[S@@](=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819137359 785419036 /nfs/dbraw/zinc/41/90/36/785419036.db2.gz BFZCQMMUQMALPK-WAIKUNEKSA-N 1 0 334.397 2.155 20 5 EEBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819165154 785441907 /nfs/dbraw/zinc/44/19/07/785441907.db2.gz ZIAMFDRVJPEGJT-RDJZCZTQSA-N 1 0 347.415 2.009 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173267 785447653 /nfs/dbraw/zinc/44/76/53/785447653.db2.gz LMWCUQAGIKIKHD-WMLDXEAASA-N 1 0 347.415 2.151 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC12CCCCC2 ZINC000908571556 785535364 /nfs/dbraw/zinc/53/53/64/785535364.db2.gz XPZGCFCNGVPEGA-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO Cc1ccnc(NC/C=C\CNC(=O)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001107269574 786670093 /nfs/dbraw/zinc/67/00/93/786670093.db2.gz SQNQRGDOUZRSLW-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000821354135 786712836 /nfs/dbraw/zinc/71/28/36/786712836.db2.gz FIYFIPNMWIQCKD-UHFFFAOYSA-N 1 0 349.431 2.130 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821620963 786825561 /nfs/dbraw/zinc/82/55/61/786825561.db2.gz BENHIBVAHKRVPY-UHFFFAOYSA-N 1 0 332.360 2.018 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823276421 787650930 /nfs/dbraw/zinc/65/09/30/787650930.db2.gz QSGWWHXOKCBNSI-QSPRXWTASA-N 1 0 329.400 2.251 20 5 EEBDRO O=C(c1cc(F)c[nH]1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996810867 787653344 /nfs/dbraw/zinc/65/33/44/787653344.db2.gz ZVVMYPOQJUHPMG-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000911906863 787818933 /nfs/dbraw/zinc/81/89/33/787818933.db2.gz LIEJNJNJKVPNEL-XPKDYRNWSA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003008 787995990 /nfs/dbraw/zinc/99/59/90/787995990.db2.gz LHWPEFIQFRMKHE-NEPJUHHUSA-N 1 0 335.408 2.419 20 5 EEBDRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000912595009 788253405 /nfs/dbraw/zinc/25/34/05/788253405.db2.gz MPZMFIAVRWYQRI-UHFFFAOYSA-N 1 0 349.431 2.116 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825129676 788448337 /nfs/dbraw/zinc/44/83/37/788448337.db2.gz ALPVIOFUXBFFAO-CKEIUWERSA-N 1 0 349.431 2.112 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000844257335 788953827 /nfs/dbraw/zinc/95/38/27/788953827.db2.gz GAMZOHFRTKIMJQ-MRXNPFEDSA-N 1 0 329.356 2.247 20 5 EEBDRO O=[N+]([O-])c1ccc(Br)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000923349303 789413247 /nfs/dbraw/zinc/41/32/47/789413247.db2.gz VLGLOEHEYZCARZ-PHIMTYICSA-N 1 0 326.194 2.009 20 5 EEBDRO CC(C)[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000915208571 795736457 /nfs/dbraw/zinc/73/64/57/795736457.db2.gz GKWPEMZBJXNZDT-YVEFUNNKSA-N 1 0 348.403 2.296 20 5 EEBDRO CCN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001106777400 796515380 /nfs/dbraw/zinc/51/53/80/796515380.db2.gz SZFQRVPLYBADMN-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CCSCC1)CC2 ZINC001172901857 797129994 /nfs/dbraw/zinc/12/99/94/797129994.db2.gz QISYFRPZNRSZQX-INIZCTEOSA-N 1 0 335.473 2.481 20 5 EEBDRO O=C1NCC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)O1 ZINC001172920963 797151106 /nfs/dbraw/zinc/15/11/06/797151106.db2.gz MUKVBYNJXWEITD-OAHLLOKOSA-N 1 0 345.399 2.417 20 5 EEBDRO COC(C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)OC ZINC001173011068 797195837 /nfs/dbraw/zinc/19/58/37/797195837.db2.gz PUWYWEYCPMIPQB-UHFFFAOYSA-N 1 0 345.346 2.050 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2ccnc2C)c1F ZINC001173175324 797276469 /nfs/dbraw/zinc/27/64/69/797276469.db2.gz AFEMWUFDSMHLPR-NSHDSACASA-N 1 0 336.367 2.468 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCOC[C@H]2OC)c1F ZINC001173188955 797281434 /nfs/dbraw/zinc/28/14/34/797281434.db2.gz MNGQVBWFQBLYLL-IXPVHAAZSA-N 1 0 342.367 2.067 20 5 EEBDRO C[NH+](C)CCOc1cc(NC2(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC001168516109 797796071 /nfs/dbraw/zinc/79/60/71/797796071.db2.gz UQYJSSLNCLDIKQ-UHFFFAOYSA-N 1 0 343.387 2.426 20 5 EEBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC001176359928 798440190 /nfs/dbraw/zinc/44/01/90/798440190.db2.gz OTVJRIAEYAAKKM-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 ZINC001177923232 799182805 /nfs/dbraw/zinc/18/28/05/799182805.db2.gz BSSNGKFNGGDGPD-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922463588 801115217 /nfs/dbraw/zinc/11/52/17/801115217.db2.gz TYEPECVKIIZIDU-UHFFFAOYSA-N 1 0 341.367 2.106 20 5 EEBDRO Cc1conc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086247671 802596453 /nfs/dbraw/zinc/59/64/53/802596453.db2.gz BJLQJPVKBYKSED-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC001086291965 802680159 /nfs/dbraw/zinc/68/01/59/802680159.db2.gz HAOGPUIQQWZAPY-SAZUREKKSA-N 1 0 347.415 2.006 20 5 EEBDRO NC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977422 803543671 /nfs/dbraw/zinc/54/36/71/803543671.db2.gz JRFCJXHEEGKSIL-BPNCWPANSA-N 1 0 342.237 2.484 20 5 EEBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168964718 803552064 /nfs/dbraw/zinc/55/20/64/803552064.db2.gz VLAODZRRQRYGEA-XJFOESAGSA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011090 803570659 /nfs/dbraw/zinc/57/06/59/803570659.db2.gz IGOTZMLFKBZOSL-XUXIUFHCSA-N 1 0 325.409 2.125 20 5 EEBDRO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169037267 803580596 /nfs/dbraw/zinc/58/05/96/803580596.db2.gz RPSXBIHZLLKJSR-OCCSQVGLSA-N 1 0 339.436 2.421 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000791995180 809533702 /nfs/dbraw/zinc/53/37/02/809533702.db2.gz POWIREWEFQMHNE-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ncc(C)cn2)c([N+](=O)[O-])c1 ZINC001170294556 809868421 /nfs/dbraw/zinc/86/84/21/809868421.db2.gz AWQRAKSJZNJRBU-ZDUSSCGKSA-N 1 0 330.388 2.465 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351556 809919800 /nfs/dbraw/zinc/91/98/00/809919800.db2.gz DCSQBJNDENITKJ-CZUORRHYSA-N 1 0 349.431 2.477 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000792881642 810052202 /nfs/dbraw/zinc/05/22/02/810052202.db2.gz MZVIEFNQDZYUMN-LBPRGKRZSA-N 1 0 329.312 2.466 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001130860642 812121880 /nfs/dbraw/zinc/12/18/80/812121880.db2.gz LTYAZIVRYUZGNG-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522812153 1119510264 /nfs/dbraw/zinc/51/02/64/1119510264.db2.gz QWZWOOQYRVPRKN-MRXNPFEDSA-N 1 0 327.384 2.084 20 5 EEBDRO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001526682621 1120568241 /nfs/dbraw/zinc/56/82/41/1120568241.db2.gz FSWUFMTWUSWMTG-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000181429725 529871995 /nfs/dbraw/zinc/87/19/95/529871995.db2.gz RJYAEKJIUIASLB-BBRMVZONSA-N 1 0 335.404 2.406 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000126248193 222674024 /nfs/dbraw/zinc/67/40/24/222674024.db2.gz YADNDYUIDRLROP-INIZCTEOSA-N 1 0 334.420 2.263 20 5 EEBDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000178660035 232347370 /nfs/dbraw/zinc/34/73/70/232347370.db2.gz QUCCUIKLDKVCQI-WFASDCNBSA-N 1 0 343.387 2.093 20 5 EEBDRO C[NH+](C)CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181681288 234282452 /nfs/dbraw/zinc/28/24/52/234282452.db2.gz OZLSZAAENGXVBZ-UHFFFAOYSA-N 1 0 331.825 2.408 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189906121 237387687 /nfs/dbraw/zinc/38/76/87/237387687.db2.gz NWSFWUIDYJLAML-UHFFFAOYSA-N 1 0 337.420 2.416 20 5 EEBDRO COc1cc(C[NH2+]CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072712977 216297401 /nfs/dbraw/zinc/29/74/01/216297401.db2.gz UEDRFQDGMUSCPC-UHFFFAOYSA-N 1 0 332.356 2.264 20 5 EEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422802766 240235068 /nfs/dbraw/zinc/23/50/68/240235068.db2.gz CARMGRMCFDFNPG-LBPRGKRZSA-N 1 0 328.372 2.263 20 5 EEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000424028656 240800758 /nfs/dbraw/zinc/80/07/58/240800758.db2.gz YWIOCQXLVPJEDG-PWSUYJOCSA-N 1 0 325.796 2.234 20 5 EEBDRO COc1c(O)cccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425983001 241194539 /nfs/dbraw/zinc/19/45/39/241194539.db2.gz AZSCIBACSHOXBF-UHFFFAOYSA-N 1 0 332.360 2.343 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228018038 242136507 /nfs/dbraw/zinc/13/65/07/242136507.db2.gz KUFMDRBGYWIBQN-DTWKUNHWSA-N 1 0 329.198 2.234 20 5 EEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236721486 242332736 /nfs/dbraw/zinc/33/27/36/242332736.db2.gz NHUMQNLVYOGPSK-ZDUSSCGKSA-N 1 0 349.840 2.290 20 5 EEBDRO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447589919 242292586 /nfs/dbraw/zinc/29/25/86/242292586.db2.gz ZNCFFNDGRYZOPA-MGPQQGTHSA-N 1 0 349.435 2.264 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447807835 242320623 /nfs/dbraw/zinc/32/06/23/242320623.db2.gz RQFFPUXQKKYACR-OAHLLOKOSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449294668 242504675 /nfs/dbraw/zinc/50/46/75/242504675.db2.gz MGESQICHQNVTKX-LJQANCHMSA-N 1 0 339.395 2.185 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731411 242617295 /nfs/dbraw/zinc/61/72/95/242617295.db2.gz VHVPDQWRTBPGEJ-TYNCELHUSA-N 1 0 335.429 2.286 20 5 EEBDRO CCO[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000451536771 243149030 /nfs/dbraw/zinc/14/90/30/243149030.db2.gz IABHAAXUZICKDP-XOKHGSTOSA-N 1 0 347.415 2.447 20 5 EEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452059509 243341231 /nfs/dbraw/zinc/34/12/31/243341231.db2.gz ZNDKVKJEDJOUHE-IIAWOOMASA-N 1 0 338.404 2.272 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262735396 245153521 /nfs/dbraw/zinc/15/35/21/245153521.db2.gz CKUDBCWLJHEJKF-WDEREUQCSA-N 1 0 341.795 2.226 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262755673 245163421 /nfs/dbraw/zinc/16/34/21/245163421.db2.gz KHNUKVDGVPYXAC-PRHODGIISA-N 1 0 342.193 2.085 20 5 EEBDRO CCOC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459712261 245218217 /nfs/dbraw/zinc/21/82/17/245218217.db2.gz WEVNPJBQIQCEJD-CVEARBPZSA-N 1 0 338.404 2.226 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000079806422 217255467 /nfs/dbraw/zinc/25/54/67/217255467.db2.gz HKENDOKXNMYVQR-HNNXBMFYSA-N 1 0 348.447 2.268 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000492072065 246288184 /nfs/dbraw/zinc/28/81/84/246288184.db2.gz HZPPUFXCSKGLSX-VKWCSIGYSA-N 1 0 333.363 2.489 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264318110 246344054 /nfs/dbraw/zinc/34/40/54/246344054.db2.gz PNGYZYPANIWZJY-OAHLLOKOSA-N 1 0 329.404 2.305 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266317062 248244714 /nfs/dbraw/zinc/24/47/14/248244714.db2.gz FEIDNFBFTWIDQG-UHFFFAOYSA-N 1 0 348.403 2.329 20 5 EEBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266571889 248365715 /nfs/dbraw/zinc/36/57/15/248365715.db2.gz DBZAEFXEXNRKOT-SUYBPPKGSA-N 1 0 348.378 2.374 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267179701 256034789 /nfs/dbraw/zinc/03/47/89/256034789.db2.gz BLZZOAUUZJYWSY-VIFPVBQESA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[N@@H+]1C1CC1 ZINC000267988849 256102566 /nfs/dbraw/zinc/10/25/66/256102566.db2.gz PRJVPOXGPUWMIL-JSGCOSHPSA-N 1 0 342.399 2.291 20 5 EEBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272974410 256253896 /nfs/dbraw/zinc/25/38/96/256253896.db2.gz WLCKFGFEMXMAHB-UHFFFAOYSA-N 1 0 334.397 2.467 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000273366071 256290037 /nfs/dbraw/zinc/29/00/37/256290037.db2.gz KHDFEGWVIZORPP-GFCCVEGCSA-N 1 0 331.376 2.316 20 5 EEBDRO C[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000273047652 256260678 /nfs/dbraw/zinc/26/06/78/256260678.db2.gz WKRAWHNMGBHSHL-OAHLLOKOSA-N 1 0 325.796 2.297 20 5 EEBDRO Cc1cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273178947 256273721 /nfs/dbraw/zinc/27/37/21/256273721.db2.gz LLPMOGMUEQHQHH-MRXNPFEDSA-N 1 0 342.399 2.477 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000273504452 256302508 /nfs/dbraw/zinc/30/25/08/256302508.db2.gz VWXLZORWPJGXHJ-CHWSQXEVSA-N 1 0 342.396 2.243 20 5 EEBDRO CC[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000115575019 152031033 /nfs/dbraw/zinc/03/10/33/152031033.db2.gz MVNDCMLODKYGMS-LBPRGKRZSA-N 1 0 337.376 2.043 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354176364 153155326 /nfs/dbraw/zinc/15/53/26/153155326.db2.gz KBJJMYMUTIMGAW-NWDGAFQWSA-N 1 0 335.429 2.428 20 5 EEBDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000129975317 292365931 /nfs/dbraw/zinc/36/59/31/292365931.db2.gz CZHVNVMMAKORJK-IUODEOHRSA-N 1 0 331.372 2.349 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130766614 292378740 /nfs/dbraw/zinc/37/87/40/292378740.db2.gz ONVNGPGFIYWYGX-UHFFFAOYSA-N 1 0 345.403 2.450 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000068609358 159021396 /nfs/dbraw/zinc/02/13/96/159021396.db2.gz FINNHXHNFRZILP-LBPRGKRZSA-N 1 0 337.424 2.265 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000078593400 159120376 /nfs/dbraw/zinc/12/03/76/159120376.db2.gz ZGOPOMQXHDJDEM-GFCCVEGCSA-N 1 0 337.424 2.121 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000083026927 159160416 /nfs/dbraw/zinc/16/04/16/159160416.db2.gz WKQOUSVZYQECEU-OKILXGFUSA-N 1 0 335.404 2.214 20 5 EEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118828527 159368727 /nfs/dbraw/zinc/36/87/27/159368727.db2.gz WGYXGYSWNHOCJB-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000121160532 159402792 /nfs/dbraw/zinc/40/27/92/159402792.db2.gz SRXPDAGDDVWSIX-CYBMUJFWSA-N 1 0 344.415 2.467 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245393479 160231034 /nfs/dbraw/zinc/23/10/34/160231034.db2.gz DAHQWHLJYLVXQQ-CZUORRHYSA-N 1 0 332.404 2.092 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248202169 160340888 /nfs/dbraw/zinc/34/08/88/160340888.db2.gz ZARRWDMQFQEXIC-LSDHHAIUSA-N 1 0 347.415 2.306 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000342107336 161040040 /nfs/dbraw/zinc/04/00/40/161040040.db2.gz QAGDXNYZIZDMJP-BPLDGKMQSA-N 1 0 343.387 2.204 20 5 EEBDRO C[C@@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000342420857 161064156 /nfs/dbraw/zinc/06/41/56/161064156.db2.gz OLLXSXJLBBANKE-BZNIZROVSA-N 1 0 331.347 2.481 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343704960 161160342 /nfs/dbraw/zinc/16/03/42/161160342.db2.gz WXKDHJRVHCZCAU-UHFFFAOYSA-N 1 0 346.362 2.456 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000352915377 162344218 /nfs/dbraw/zinc/34/42/18/162344218.db2.gz OOTLNHMTOFGYOQ-RHSMWYFYSA-N 1 0 348.447 2.456 20 5 EEBDRO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000150832345 292466744 /nfs/dbraw/zinc/46/67/44/292466744.db2.gz FBSJRNAABTWLSA-CQSZACIVSA-N 1 0 349.435 2.003 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)o1 ZINC000353715924 162665722 /nfs/dbraw/zinc/66/57/22/162665722.db2.gz XRWZKKNGBUIYDJ-TZMCWYRMSA-N 1 0 332.356 2.484 20 5 EEBDRO CCOc1cccc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000359709544 164157411 /nfs/dbraw/zinc/15/74/11/164157411.db2.gz VAUBDYIMZHZXBL-CQSZACIVSA-N 1 0 337.420 2.498 20 5 EEBDRO Cc1cc(N(C)CCC[N@@H+](C)CCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000359980512 164208321 /nfs/dbraw/zinc/20/83/21/164208321.db2.gz CVDZSGLCNHBQFA-UHFFFAOYSA-N 1 0 326.416 2.362 20 5 EEBDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000360173568 164250706 /nfs/dbraw/zinc/25/07/06/164250706.db2.gz PSRWMWQVOOJXKT-AWEZNQCLSA-N 1 0 341.367 2.499 20 5 EEBDRO COc1cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000368667334 166102634 /nfs/dbraw/zinc/10/26/34/166102634.db2.gz RAAIJSULBAYOAW-QGZVFWFLSA-N 1 0 338.404 2.452 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000368718992 166115827 /nfs/dbraw/zinc/11/58/27/166115827.db2.gz MDRHVMUDTKPZGK-ZDUSSCGKSA-N 1 0 332.404 2.067 20 5 EEBDRO NC(=O)c1ccc(C[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000374090387 167016523 /nfs/dbraw/zinc/01/65/23/167016523.db2.gz BZPUAXIAHSKUOH-UHFFFAOYSA-N 1 0 333.388 2.085 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375757873 167186972 /nfs/dbraw/zinc/18/69/72/167186972.db2.gz MUXNWYIYRVOCII-GOEBONIOSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1=CC[N@H+](C)CC1 ZINC000272740310 269015430 /nfs/dbraw/zinc/01/54/30/269015430.db2.gz CSPVSVQYKCONFH-NSHDSACASA-N 1 0 328.372 2.456 20 5 EEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000274451780 269034074 /nfs/dbraw/zinc/03/40/74/269034074.db2.gz IXANSEJEOHYNCU-NSHDSACASA-N 1 0 327.816 2.081 20 5 EEBDRO Cc1c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000275098393 269095014 /nfs/dbraw/zinc/09/50/14/269095014.db2.gz KASANWMWPSEREB-LBPRGKRZSA-N 1 0 345.321 2.404 20 5 EEBDRO COc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1[N+](=O)[O-] ZINC000275576581 269126275 /nfs/dbraw/zinc/12/62/75/269126275.db2.gz CJSVYMKVWSYHND-UHFFFAOYSA-N 1 0 346.387 2.472 20 5 EEBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(N)c2F)CCCO1 ZINC000277581016 269161841 /nfs/dbraw/zinc/16/18/41/269161841.db2.gz BVLBULSXDWJDAK-NSHDSACASA-N 1 0 326.372 2.229 20 5 EEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000277643136 269166784 /nfs/dbraw/zinc/16/67/84/269166784.db2.gz YEVPOMOFRPXPDE-CYBMUJFWSA-N 1 0 343.387 2.218 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279135629 269264690 /nfs/dbraw/zinc/26/46/90/269264690.db2.gz FLRSNBNUVLELAV-LLVKDONJSA-N 1 0 340.399 2.260 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279856918 269311959 /nfs/dbraw/zinc/31/19/59/269311959.db2.gz POPZHGWANVRZMY-UHFFFAOYSA-N 1 0 341.770 2.308 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279897084 269314017 /nfs/dbraw/zinc/31/40/17/269314017.db2.gz DHXBZIBDISRIDM-GUYCJALGSA-N 1 0 335.404 2.467 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269432027 274112187 /nfs/dbraw/zinc/11/21/87/274112187.db2.gz NQNFHQYYUCJLGH-UHFFFAOYSA-N 1 0 325.413 2.293 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894460 274119047 /nfs/dbraw/zinc/11/90/47/274119047.db2.gz CFRDROMBARUZHS-DANNLKNASA-N 1 0 345.399 2.469 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000271843158 274158338 /nfs/dbraw/zinc/15/83/38/274158338.db2.gz WIGIMVLNMWBDSF-AWEZNQCLSA-N 1 0 336.779 2.085 20 5 EEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc21 ZINC000419002699 274348853 /nfs/dbraw/zinc/34/88/53/274348853.db2.gz PWLLGJNQRNEWDB-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278424114 274354220 /nfs/dbraw/zinc/35/42/20/274354220.db2.gz UFABKQPJKIHHDL-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278542767 274369474 /nfs/dbraw/zinc/36/94/74/274369474.db2.gz XSYZAXWBBBZWNC-HNNXBMFYSA-N 1 0 329.404 2.395 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000285987405 274824623 /nfs/dbraw/zinc/82/46/23/274824623.db2.gz XNLAIQWMXQJWAD-DGCLKSJQSA-N 1 0 347.371 2.022 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286075905 274834004 /nfs/dbraw/zinc/83/40/04/274834004.db2.gz JWFGREZPOFDCIM-ZYHUDNBSSA-N 1 0 341.795 2.327 20 5 EEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CCCCC2)CC1 ZINC000420582416 274941220 /nfs/dbraw/zinc/94/12/20/274941220.db2.gz ISHMANRSPITJIC-UHFFFAOYSA-N 1 0 346.431 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccncc21 ZINC000375777082 275036394 /nfs/dbraw/zinc/03/63/94/275036394.db2.gz PXBABRTVCFNWJN-QZTJIDSGSA-N 1 0 342.399 2.178 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289271858 275106889 /nfs/dbraw/zinc/10/68/89/275106889.db2.gz PGIVQBPMOMTZBL-GOSISDBHSA-N 1 0 344.415 2.385 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000290150362 275184532 /nfs/dbraw/zinc/18/45/32/275184532.db2.gz CQEQGYUFCMEBQP-HNNXBMFYSA-N 1 0 340.445 2.329 20 5 EEBDRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290840307 275245236 /nfs/dbraw/zinc/24/52/36/275245236.db2.gz VWUJIJWPKSQCMI-NSHDSACASA-N 1 0 345.193 2.191 20 5 EEBDRO Cc1c(C(=O)N[C@@H](C)CCCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000292086821 275374105 /nfs/dbraw/zinc/37/41/05/275374105.db2.gz MSLDUUARTIWYNU-VIFPVBQESA-N 1 0 338.364 2.367 20 5 EEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000292091239 275374772 /nfs/dbraw/zinc/37/47/72/275374772.db2.gz NFCPGTPWRHNYNZ-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000292168741 275387494 /nfs/dbraw/zinc/38/74/94/275387494.db2.gz JTYUFKMGWYXSKW-SFHVURJKSA-N 1 0 340.383 2.311 20 5 EEBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165089547 276440659 /nfs/dbraw/zinc/44/06/59/276440659.db2.gz XNYURZKUHFLJPX-UKRRQHHQSA-N 1 0 335.404 2.191 20 5 EEBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000293647587 293260185 /nfs/dbraw/zinc/26/01/85/293260185.db2.gz OMTXKLMBUOUSNY-ZFWWWQNUSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000294036069 293354764 /nfs/dbraw/zinc/35/47/64/293354764.db2.gz IEYIQUHSNLVLNS-UONOGXRCSA-N 1 0 334.420 2.339 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000294163143 293385879 /nfs/dbraw/zinc/38/58/79/293385879.db2.gz OBUUFKGIZGBSMT-SFHVURJKSA-N 1 0 331.416 2.390 20 5 EEBDRO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000297404459 294235228 /nfs/dbraw/zinc/23/52/28/294235228.db2.gz KUIBBBWSICLGJZ-AWEZNQCLSA-N 1 0 339.392 2.085 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297448676 294247017 /nfs/dbraw/zinc/24/70/17/294247017.db2.gz JFPQONIUENUFNQ-DGCLKSJQSA-N 1 0 333.388 2.347 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000299209424 294687641 /nfs/dbraw/zinc/68/76/41/294687641.db2.gz FHMHHPLWTSVJCG-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301097575 294821915 /nfs/dbraw/zinc/82/19/15/294821915.db2.gz PZLDDRQARUBXPI-AWEZNQCLSA-N 1 0 332.404 2.019 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000159854723 311346961 /nfs/dbraw/zinc/34/69/61/311346961.db2.gz FFPNNGBDIWTVOK-AWEZNQCLSA-N 1 0 345.403 2.001 20 5 EEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000332163548 311960594 /nfs/dbraw/zinc/96/05/94/311960594.db2.gz RAXGDEAXSIJLHQ-UHFFFAOYSA-N 1 0 335.408 2.153 20 5 EEBDRO Cc1[nH]nc(C(=O)N2CCC(CCCn3ccnc3)CC2)c1[N+](=O)[O-] ZINC000341616054 312262143 /nfs/dbraw/zinc/26/21/43/312262143.db2.gz BTWJUBRNGJQJPL-UHFFFAOYSA-N 1 0 346.391 2.155 20 5 EEBDRO CCC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414213472 312983692 /nfs/dbraw/zinc/98/36/92/312983692.db2.gz RGVWBEIFRLAZAG-HNNXBMFYSA-N 1 0 335.404 2.321 20 5 EEBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)n2)CCC1 ZINC000414630546 313051326 /nfs/dbraw/zinc/05/13/26/313051326.db2.gz UMEIYPUQDYVAKT-UHFFFAOYSA-N 1 0 326.316 2.168 20 5 EEBDRO C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000414962514 313116608 /nfs/dbraw/zinc/11/66/08/313116608.db2.gz ZSWVEOQKEJGGPB-WPRPVWTQSA-N 1 0 344.318 2.397 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416504107 313240508 /nfs/dbraw/zinc/24/05/08/313240508.db2.gz ZAPXAOQTYDZXND-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000417301158 313477046 /nfs/dbraw/zinc/47/70/46/313477046.db2.gz ACNKWJMVETUMAH-MLGOLLRUSA-N 1 0 338.429 2.387 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417948572 313663172 /nfs/dbraw/zinc/66/31/72/313663172.db2.gz UFRWXWGDLNJIKH-KRWDZBQOSA-N 1 0 346.431 2.311 20 5 EEBDRO [NH3+]CCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096051 313710855 /nfs/dbraw/zinc/71/08/55/313710855.db2.gz WVCIKNUJUBSTBB-UHFFFAOYSA-N 1 0 334.298 2.152 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418228945 313756237 /nfs/dbraw/zinc/75/62/37/313756237.db2.gz FXQJRTNMDXSECQ-KNXALSJPSA-N 1 0 332.404 2.343 20 5 EEBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000418603484 313858205 /nfs/dbraw/zinc/85/82/05/313858205.db2.gz NXJCGDZKDUQKCN-OCCSQVGLSA-N 1 0 332.404 2.409 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421019267 314027139 /nfs/dbraw/zinc/02/71/39/314027139.db2.gz PIUSHAANKWFVQX-UONOGXRCSA-N 1 0 335.404 2.406 20 5 EEBDRO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000430937864 314595331 /nfs/dbraw/zinc/59/53/31/314595331.db2.gz FVKKEMGICVXISA-OAHLLOKOSA-N 1 0 334.420 2.306 20 5 EEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493408267 315960613 /nfs/dbraw/zinc/96/06/13/315960613.db2.gz AZVQLZJUVTUAMU-HIFRSBDPSA-N 1 0 341.795 2.327 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000536591229 318002892 /nfs/dbraw/zinc/00/28/92/318002892.db2.gz RFBBNXYKOCTUNQ-UHFFFAOYSA-N 1 0 343.387 2.071 20 5 EEBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000539225682 318053202 /nfs/dbraw/zinc/05/32/02/318053202.db2.gz JHKFQAKGBHGGII-DZGCQCFKSA-N 1 0 348.403 2.290 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547269580 318276606 /nfs/dbraw/zinc/27/66/06/318276606.db2.gz WHPRFZDZEVPVEW-GFCCVEGCSA-N 1 0 337.395 2.470 20 5 EEBDRO CC[NH2+]CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000563145817 318977202 /nfs/dbraw/zinc/97/72/02/318977202.db2.gz CMNOASAZCDBEKT-UHFFFAOYSA-N 1 0 331.825 2.456 20 5 EEBDRO Cc1nccn1C[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377837 319375090 /nfs/dbraw/zinc/37/50/90/319375090.db2.gz DZNJTXGJPDZPNU-CYBMUJFWSA-N 1 0 345.403 2.354 20 5 EEBDRO C[C@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569095611 319546020 /nfs/dbraw/zinc/54/60/20/319546020.db2.gz FYNHFUQWCBUKTR-STQMWFEESA-N 1 0 326.418 2.394 20 5 EEBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000569439543 319575830 /nfs/dbraw/zinc/57/58/30/319575830.db2.gz AFAKGPKNTYDCFI-NHYWBVRUSA-N 1 0 326.418 2.385 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc3ccccc3s2)c1 ZINC000569893393 319616871 /nfs/dbraw/zinc/61/68/71/319616871.db2.gz FEGDYXDKLCEFOB-CYBMUJFWSA-N 1 0 332.385 2.157 20 5 EEBDRO C[C@@H]1CC2(CN1C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC000574981745 320076503 /nfs/dbraw/zinc/07/65/03/320076503.db2.gz FBWUSXVHUZYZDW-LLVKDONJSA-N 1 0 343.387 2.075 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000576220326 320151779 /nfs/dbraw/zinc/15/17/79/320151779.db2.gz MPGZVZFLOSMLQR-YJBOKZPZSA-N 1 0 344.367 2.196 20 5 EEBDRO NC(=O)COc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577506669 320259837 /nfs/dbraw/zinc/25/98/37/320259837.db2.gz CZWMACSKAMRBLA-INIZCTEOSA-N 1 0 341.367 2.236 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000578480019 320316418 /nfs/dbraw/zinc/31/64/18/320316418.db2.gz HVTPZFRXNAKHJY-PBHICJAKSA-N 1 0 349.431 2.171 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000182500947 323377271 /nfs/dbraw/zinc/37/72/71/323377271.db2.gz GZJBTFZASCCWHC-GDBMZVCRSA-N 1 0 332.404 2.221 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579473841 323861155 /nfs/dbraw/zinc/86/11/55/323861155.db2.gz PRURECHBGUFCRD-JGVFFNPUSA-N 1 0 332.307 2.444 20 5 EEBDRO COCC1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581127341 324190544 /nfs/dbraw/zinc/19/05/44/324190544.db2.gz OTIRLNWQSMCDFH-ZBCRRDGASA-N 1 0 338.404 2.129 20 5 EEBDRO Cc1ccc(C2(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c(C)c1 ZINC000583199365 324613689 /nfs/dbraw/zinc/61/36/89/324613689.db2.gz MIGHJNJLVOELKP-MRXNPFEDSA-N 1 0 344.415 2.090 20 5 EEBDRO C[NH+]1CCC(n2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])n2)CC1 ZINC000601537332 450058390 /nfs/dbraw/zinc/05/83/90/450058390.db2.gz XCYSIJVUDZPOEC-UHFFFAOYSA-N 1 0 347.350 2.449 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 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UTBHROLSCALHLD-CQSZACIVSA-N 1 0 346.431 2.219 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134948 462591812 /nfs/dbraw/zinc/59/18/12/462591812.db2.gz SOIZUEWPADGKJR-CYBMUJFWSA-N 1 0 334.420 2.393 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153080179 462613140 /nfs/dbraw/zinc/61/31/40/462613140.db2.gz KECUFLLSNIWSQF-ZDUSSCGKSA-N 1 0 335.379 2.410 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000045753681 462614826 /nfs/dbraw/zinc/61/48/26/462614826.db2.gz WSULQHVQTNLGRU-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000088250813 462619621 /nfs/dbraw/zinc/61/96/21/462619621.db2.gz NXVNLBYHYADSJE-UHFFFAOYSA-N 1 0 347.371 2.157 20 5 EEBDRO CCC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CCN1CCOC ZINC000128545883 462650618 /nfs/dbraw/zinc/65/06/18/462650618.db2.gz TZYZKCLSBRKTEX-INIZCTEOSA-N 1 0 349.431 2.476 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153472135 462654517 /nfs/dbraw/zinc/65/45/17/462654517.db2.gz XOVMDNUBZWCVDB-KRWDZBQOSA-N 1 0 333.388 2.344 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063665513 462660263 /nfs/dbraw/zinc/66/02/63/462660263.db2.gz GMOYJCBPJAHILW-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075740877 462755432 /nfs/dbraw/zinc/75/54/32/462755432.db2.gz LSAHGBIACVIPTR-IRXDYDNUSA-N 1 0 332.404 2.481 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000065441363 462771408 /nfs/dbraw/zinc/77/14/08/462771408.db2.gz FSODVWYPPPOTMQ-CQSZACIVSA-N 1 0 349.435 2.036 20 5 EEBDRO Cn1cc([C@H](CO)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000090884766 462814473 /nfs/dbraw/zinc/81/44/73/462814473.db2.gz QVBNBBYHPZJFAS-COXVUDFISA-N 1 0 344.415 2.363 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000132130931 462842511 /nfs/dbraw/zinc/84/25/11/462842511.db2.gz ASRLNUSAUVPTTI-AWEZNQCLSA-N 1 0 342.399 2.219 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC000091481615 462882786 /nfs/dbraw/zinc/88/27/86/462882786.db2.gz BWLOUTCUTQRKQL-OAHLLOKOSA-N 1 0 334.376 2.304 20 5 EEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cn2)CC1 ZINC000014520554 462929039 /nfs/dbraw/zinc/92/90/39/462929039.db2.gz GWSHAEKPOFXSRO-UHFFFAOYSA-N 1 0 347.400 2.055 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1Sc1nnc(C2CC[NH2+]CC2)n1C ZINC000092655476 462969853 /nfs/dbraw/zinc/96/98/53/462969853.db2.gz QVYAZCXPIXDBPJ-UHFFFAOYSA-N 1 0 334.405 2.045 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000051403021 463035459 /nfs/dbraw/zinc/03/54/59/463035459.db2.gz QQLTVVXLIVZZDR-UHFFFAOYSA-N 1 0 348.403 2.171 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434375 463036632 /nfs/dbraw/zinc/03/66/32/463036632.db2.gz BDKUVJGDEOOUPR-IUCAKERBSA-N 1 0 329.198 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)c(Cl)c1 ZINC000093483443 463038761 /nfs/dbraw/zinc/03/87/61/463038761.db2.gz HKDKLBMLNLWUOL-OKILXGFUSA-N 1 0 338.747 2.046 20 5 EEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000156734035 463062455 /nfs/dbraw/zinc/06/24/55/463062455.db2.gz DCHVFXHRBOYBRS-UHFFFAOYSA-N 1 0 331.372 2.253 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121013765 463066509 /nfs/dbraw/zinc/06/65/09/463066509.db2.gz UQDIYSVGAHLAQB-LBPRGKRZSA-N 1 0 328.372 2.357 20 5 EEBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067915348 463067335 /nfs/dbraw/zinc/06/73/35/463067335.db2.gz ITKLZMGWUIOHAW-HNNXBMFYSA-N 1 0 349.431 2.383 20 5 EEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000077924896 463072273 /nfs/dbraw/zinc/07/22/73/463072273.db2.gz YTNOVEWYXSSBCR-UHFFFAOYSA-N 1 0 345.403 2.098 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000068007593 463079884 /nfs/dbraw/zinc/07/98/84/463079884.db2.gz BNISKMIILBSUSZ-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000157250955 463112645 /nfs/dbraw/zinc/11/26/45/463112645.db2.gz RFIHDLJXCKNSCB-GDBMZVCRSA-N 1 0 346.431 2.340 20 5 EEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000053992086 463201788 /nfs/dbraw/zinc/20/17/88/463201788.db2.gz MQGRAVAQXBOQKB-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069064061 463203075 /nfs/dbraw/zinc/20/30/75/463203075.db2.gz RBUILVXAYIPYOA-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054510011 463239903 /nfs/dbraw/zinc/23/99/03/463239903.db2.gz NTCFNIWFKKABPY-AWEZNQCLSA-N 1 0 349.435 2.038 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000055376320 463313351 /nfs/dbraw/zinc/31/33/51/463313351.db2.gz BAZXFFDBIFDKAU-BETUJISGSA-N 1 0 336.392 2.216 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069857401 463340811 /nfs/dbraw/zinc/34/08/11/463340811.db2.gz OTSZIHWGLVBZFO-KRWDZBQOSA-N 1 0 333.432 2.182 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000032369062 463374319 /nfs/dbraw/zinc/37/43/19/463374319.db2.gz GJAMSRICFWCVHK-HNNXBMFYSA-N 1 0 349.412 2.454 20 5 EEBDRO O=C1CCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104730964 463419608 /nfs/dbraw/zinc/41/96/08/463419608.db2.gz XIBZDKYTYZUXRX-UHFFFAOYSA-N 1 0 333.388 2.060 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000081364768 463425711 /nfs/dbraw/zinc/42/57/11/463425711.db2.gz XFZYWONIMQIXAF-OAHLLOKOSA-N 1 0 348.447 2.221 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150861802 463442518 /nfs/dbraw/zinc/44/25/18/463442518.db2.gz WTOPSYAZTOYXAQ-AWEZNQCLSA-N 1 0 347.415 2.379 20 5 EEBDRO CC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124668369 463449956 /nfs/dbraw/zinc/44/99/56/463449956.db2.gz XJJBFRXXSWTZRV-UHFFFAOYSA-N 1 0 330.388 2.219 20 5 EEBDRO CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000041297879 463477347 /nfs/dbraw/zinc/47/73/47/463477347.db2.gz KUXAQSQMZUXXKU-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO Nc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000071952817 463478844 /nfs/dbraw/zinc/47/88/44/463478844.db2.gz VDNKLEKTASHWTM-ZDUSSCGKSA-N 1 0 328.376 2.044 20 5 EEBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341607 463636796 /nfs/dbraw/zinc/63/67/96/463636796.db2.gz VZGMOTIYIWINGK-UHFFFAOYSA-N 1 0 344.799 2.338 20 5 EEBDRO O=C(CC[NH+]1CCC(n2ccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000109793026 463649595 /nfs/dbraw/zinc/64/95/95/463649595.db2.gz OETSWRIBKPCMGT-UHFFFAOYSA-N 1 0 343.387 2.457 20 5 EEBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000126828460 463665173 /nfs/dbraw/zinc/66/51/73/463665173.db2.gz QYPAEBUDNKRTJH-NSHDSACASA-N 1 0 349.416 2.021 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287006829 463771373 /nfs/dbraw/zinc/77/13/73/463771373.db2.gz KLSXQZQHTHVPMQ-ZIAGYGMSSA-N 1 0 340.445 2.330 20 5 EEBDRO CS(=O)(=O)CCCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185206067 463777395 /nfs/dbraw/zinc/77/73/95/463777395.db2.gz MNBQTCFPAQOYSX-VQHVLOKHSA-N 1 0 326.418 2.413 20 5 EEBDRO COCCCN(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268919005 463809142 /nfs/dbraw/zinc/80/91/42/463809142.db2.gz UBJRWQDODFANBJ-KRWDZBQOSA-N 1 0 335.448 2.474 20 5 EEBDRO COCCN(C)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000276939597 463813899 /nfs/dbraw/zinc/81/38/99/463813899.db2.gz GKFGDHGRMTXYLE-UHFFFAOYSA-N 1 0 344.415 2.405 20 5 EEBDRO Cc1c(Br)c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261760891 463851027 /nfs/dbraw/zinc/85/10/27/463851027.db2.gz NTMQXGRVOXCNAO-NXEZZACHSA-N 1 0 341.209 2.249 20 5 EEBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000171455432 463867066 /nfs/dbraw/zinc/86/70/66/463867066.db2.gz JCZYCIIQTNEYMS-LBPRGKRZSA-N 1 0 348.359 2.122 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492334538 468382846 /nfs/dbraw/zinc/38/28/46/468382846.db2.gz BVGRETMLZFDSIV-ARBSDZIJSA-N 1 0 333.363 2.300 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000261963348 463912799 /nfs/dbraw/zinc/91/27/99/463912799.db2.gz AKRIJEPETJVYJU-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000178918000 464015163 /nfs/dbraw/zinc/01/51/63/464015163.db2.gz OBFHSYGBHDKYSI-INIZCTEOSA-N 1 0 334.420 2.387 20 5 EEBDRO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269701454 464063463 /nfs/dbraw/zinc/06/34/63/464063463.db2.gz MCEJDOPRIAJJMB-KRWDZBQOSA-N 1 0 343.383 2.120 20 5 EEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000179202706 464080252 /nfs/dbraw/zinc/08/02/52/464080252.db2.gz WRFODIFYSKKUJM-IHRRRGAJSA-N 1 0 348.447 2.496 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274845 464182353 /nfs/dbraw/zinc/18/23/53/464182353.db2.gz SKZWMFLTCSNNDY-DYVFJYSZSA-N 1 0 327.384 2.385 20 5 EEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000292274847 464182377 /nfs/dbraw/zinc/18/23/77/464182377.db2.gz SKZWMFLTCSNNDY-GUYCJALGSA-N 1 0 327.384 2.385 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000228552992 464191934 /nfs/dbraw/zinc/19/19/34/464191934.db2.gz ZJSLBLOWJCFPES-JMJZKYOTSA-N 1 0 341.209 2.316 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)nc1 ZINC000173470733 464267276 /nfs/dbraw/zinc/26/72/76/464267276.db2.gz ACIKNCVFPJXTEW-DOTOQJQBSA-N 1 0 342.399 2.080 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270912595 464269797 /nfs/dbraw/zinc/26/97/97/464269797.db2.gz SPZMHFAXCHDMOI-NHYWBVRUSA-N 1 0 340.383 2.356 20 5 EEBDRO COc1ccc(OCC[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000173525470 464276960 /nfs/dbraw/zinc/27/69/60/464276960.db2.gz GCVWBSWWPSRTCK-ZDUSSCGKSA-N 1 0 336.388 2.483 20 5 EEBDRO CN(CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173638394 464298968 /nfs/dbraw/zinc/29/89/68/464298968.db2.gz KTAGFXHIBJZKBM-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000237761070 464376387 /nfs/dbraw/zinc/37/63/87/464376387.db2.gz RJUUHHDZHRFZOB-LBPRGKRZSA-N 1 0 341.795 2.275 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174648778 464433611 /nfs/dbraw/zinc/43/36/11/464433611.db2.gz UPVPEONBMLGUGI-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000272239967 464530937 /nfs/dbraw/zinc/53/09/37/464530937.db2.gz XIOPSUYTZGBAHG-ZDUSSCGKSA-N 1 0 335.404 2.162 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000281728014 464561139 /nfs/dbraw/zinc/56/11/39/464561139.db2.gz AOARLOPPHQZAMO-UONOGXRCSA-N 1 0 348.428 2.346 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c2nonc21 ZINC000265505429 464583865 /nfs/dbraw/zinc/58/38/65/464583865.db2.gz NYKHZNMDFPFQFF-LLVKDONJSA-N 1 0 347.375 2.044 20 5 EEBDRO Cn1c(Sc2ccc(F)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265506111 464584491 /nfs/dbraw/zinc/58/44/91/464584491.db2.gz YUWIGABHQRXVFH-UHFFFAOYSA-N 1 0 337.380 2.481 20 5 EEBDRO CS[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+](C)C ZINC000272417427 464600837 /nfs/dbraw/zinc/60/08/37/464600837.db2.gz ZQYMUSMCPXKTCA-KGLIPLIRSA-N 1 0 338.433 2.413 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281857769 464611776 /nfs/dbraw/zinc/61/17/76/464611776.db2.gz YUNVWWQNCZVEMN-KGLIPLIRSA-N 1 0 335.404 2.271 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272454083 464617620 /nfs/dbraw/zinc/61/76/20/464617620.db2.gz CNWFJEWRLKADFN-WWGRRREGSA-N 1 0 335.404 2.405 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000272463929 464621445 /nfs/dbraw/zinc/62/14/45/464621445.db2.gz OWVUISKOVLOQSX-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000294848240 464623258 /nfs/dbraw/zinc/62/32/58/464623258.db2.gz AVNAVBMWYMESBG-LBPRGKRZSA-N 1 0 335.408 2.011 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000294893948 464640918 /nfs/dbraw/zinc/64/09/18/464640918.db2.gz GMFGZDIJOBXHPR-CQSZACIVSA-N 1 0 335.404 2.231 20 5 EEBDRO CN(C(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000272541780 464652794 /nfs/dbraw/zinc/65/27/94/464652794.db2.gz NRPUJKPYHDBTDN-CJNGLKHVSA-N 1 0 335.404 2.041 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272606184 464675476 /nfs/dbraw/zinc/67/54/76/464675476.db2.gz VWMLGAVSMBTQKS-WWGRRREGSA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176163831 464711462 /nfs/dbraw/zinc/71/14/62/464711462.db2.gz ZNRZDZOTXCSVMF-JHJVBQTASA-N 1 0 334.420 2.273 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000176242740 464729329 /nfs/dbraw/zinc/72/93/29/464729329.db2.gz IZIJGMURXRZLEC-MRXNPFEDSA-N 1 0 330.388 2.163 20 5 EEBDRO C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176286389 464740111 /nfs/dbraw/zinc/74/01/11/464740111.db2.gz CDDKPMMOKNBXIW-INIZCTEOSA-N 1 0 343.431 2.388 20 5 EEBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000266773412 464816345 /nfs/dbraw/zinc/81/63/45/464816345.db2.gz XLCQBKUCWNHHAO-GFCCVEGCSA-N 1 0 337.401 2.316 20 5 EEBDRO COCCOCCOCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276158342 464829182 /nfs/dbraw/zinc/82/91/82/464829182.db2.gz HIRNOJCUEKLXKD-CQSZACIVSA-N 1 0 326.393 2.267 20 5 EEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000286205036 464839055 /nfs/dbraw/zinc/83/90/55/464839055.db2.gz BREHEAWIMXFQCX-HOTGVXAUSA-N 1 0 347.415 2.229 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266844163 464843017 /nfs/dbraw/zinc/84/30/17/464843017.db2.gz ISBYJMXRHGIJCO-OAHLLOKOSA-N 1 0 346.431 2.265 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000295552991 464879855 /nfs/dbraw/zinc/87/98/55/464879855.db2.gz XEJDEKDUGIWNHG-SJCJKPOMSA-N 1 0 330.388 2.380 20 5 EEBDRO C[C@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276427165 464928242 /nfs/dbraw/zinc/92/82/42/464928242.db2.gz JGFRLXORNWRQSO-CYBMUJFWSA-N 1 0 335.404 2.183 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339765997 465498192 /nfs/dbraw/zinc/49/81/92/465498192.db2.gz ZKPPJVHMYDLGAJ-IAGOWNOFSA-N 1 0 336.388 2.013 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000286584579 464968829 /nfs/dbraw/zinc/96/88/29/464968829.db2.gz QILNPFKGHLHNOB-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184449580 464977860 /nfs/dbraw/zinc/97/78/60/464977860.db2.gz SLWAYPCSTTZQGR-CYBMUJFWSA-N 1 0 332.404 2.125 20 5 EEBDRO CC(C)C[C@@H](C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348007511 465367280 /nfs/dbraw/zinc/36/72/80/465367280.db2.gz PPBQWCVXIMEUIM-CYBMUJFWSA-N 1 0 343.449 2.145 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356454822 465392703 /nfs/dbraw/zinc/39/27/03/465392703.db2.gz FVDQKJKBEPJUAB-HNNXBMFYSA-N 1 0 348.447 2.412 20 5 EEBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000356884031 465599503 /nfs/dbraw/zinc/59/95/03/465599503.db2.gz QVFCXNIEBPTRRB-NEPJUHHUSA-N 1 0 330.388 2.170 20 5 EEBDRO C[NH+](C)CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000356883743 465600528 /nfs/dbraw/zinc/60/05/28/465600528.db2.gz RNHATTITRKGADW-UHFFFAOYSA-N 1 0 332.404 2.335 20 5 EEBDRO Cc1cc(NC[C@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360934597 465643492 /nfs/dbraw/zinc/64/34/92/465643492.db2.gz NFMNMLFAVAKWTH-AWEZNQCLSA-N 1 0 331.372 2.073 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591310783 468445422 /nfs/dbraw/zinc/44/54/22/468445422.db2.gz KBLMVQGXAPXCMC-UHFFFAOYSA-N 1 0 341.371 2.299 20 5 EEBDRO C[C@@H]1[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1C ZINC000356970563 465668779 /nfs/dbraw/zinc/66/87/79/465668779.db2.gz FRLYRBFDIGKXDC-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000357012415 465700485 /nfs/dbraw/zinc/70/04/85/465700485.db2.gz YUNZGKSWWKSXEP-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO CCOC(=O)c1coc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348918872 465871532 /nfs/dbraw/zinc/87/15/32/465871532.db2.gz CZIBAOREBLPWQN-UHFFFAOYSA-N 1 0 333.344 2.330 20 5 EEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000348998094 465910865 /nfs/dbraw/zinc/91/08/65/465910865.db2.gz KDQOYBVLOJCYCT-CQSZACIVSA-N 1 0 340.383 2.377 20 5 EEBDRO Cc1cccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000349024396 465925162 /nfs/dbraw/zinc/92/51/62/465925162.db2.gz DVDFHQNCSHJUGC-LBPRGKRZSA-N 1 0 326.356 2.367 20 5 EEBDRO CCOc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301603004 465994505 /nfs/dbraw/zinc/99/45/05/465994505.db2.gz WRRYMGIFCUWMOW-CQSZACIVSA-N 1 0 335.404 2.152 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548747533 468466633 /nfs/dbraw/zinc/46/66/33/468466633.db2.gz KEVBDUUKVOYADS-ZDUSSCGKSA-N 1 0 343.387 2.055 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301757623 466025695 /nfs/dbraw/zinc/02/56/95/466025695.db2.gz AEHPMOYVNKTILB-NSHDSACASA-N 1 0 328.363 2.311 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000349238841 466029849 /nfs/dbraw/zinc/02/98/49/466029849.db2.gz DPFJLNCLRLVIAY-QGZVFWFLSA-N 1 0 349.431 2.097 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000349261920 466042733 /nfs/dbraw/zinc/04/27/33/466042733.db2.gz ANYRYPUXWFOLBI-MRXNPFEDSA-N 1 0 349.431 2.097 20 5 EEBDRO CSc1cccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000346304875 466078036 /nfs/dbraw/zinc/07/80/36/466078036.db2.gz YQGDXFCGLFQDFE-INIZCTEOSA-N 1 0 335.429 2.485 20 5 EEBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000302217263 466121655 /nfs/dbraw/zinc/12/16/55/466121655.db2.gz KALLCHMLNHBZDT-UHFFFAOYSA-N 1 0 343.387 2.257 20 5 EEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(F)cc1 ZINC000304326681 466283805 /nfs/dbraw/zinc/28/38/05/466283805.db2.gz STDNDWKJGHPXNT-LRDDRELGSA-N 1 0 336.367 2.374 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361784339 466287298 /nfs/dbraw/zinc/28/72/98/466287298.db2.gz DADCHYUNKQIMPV-HNNXBMFYSA-N 1 0 348.447 2.412 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000332082383 466376250 /nfs/dbraw/zinc/37/62/50/466376250.db2.gz NZLHKWFOVGCWOG-TZMCWYRMSA-N 1 0 333.388 2.302 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347200000 466469762 /nfs/dbraw/zinc/46/97/62/466469762.db2.gz COAONOQRXIHOSA-CYBMUJFWSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000332313129 466504014 /nfs/dbraw/zinc/50/40/14/466504014.db2.gz IGBBEQDZNFECHG-RYUDHWBXSA-N 1 0 328.372 2.356 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347246797 466507146 /nfs/dbraw/zinc/50/71/46/466507146.db2.gz JOKROPJGOHCTFT-ZDUSSCGKSA-N 1 0 335.404 2.467 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332336424 466514797 /nfs/dbraw/zinc/51/47/97/466514797.db2.gz MEQGTUUUIVHLBS-WDEREUQCSA-N 1 0 344.371 2.061 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000347310907 466552715 /nfs/dbraw/zinc/55/27/15/466552715.db2.gz GLGQCYAYKRERRI-RVDMUPIBSA-N 1 0 333.432 2.387 20 5 EEBDRO CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000362107577 466562445 /nfs/dbraw/zinc/56/24/45/466562445.db2.gz VRPUIPCLOKKHPZ-OAHLLOKOSA-N 1 0 344.795 2.431 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372808889 466596276 /nfs/dbraw/zinc/59/62/76/466596276.db2.gz VNHYWPXDSMRJGU-PEYYIBSZSA-N 1 0 333.388 2.387 20 5 EEBDRO O=C([C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000347447321 466636208 /nfs/dbraw/zinc/63/62/08/466636208.db2.gz IJPCDPUZZUWWEM-NSHDSACASA-N 1 0 339.342 2.317 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415446441 466682830 /nfs/dbraw/zinc/68/28/30/466682830.db2.gz SYUCOJZSDQBKQN-PELKAZGASA-N 1 0 344.293 2.439 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415666692 466706189 /nfs/dbraw/zinc/70/61/89/466706189.db2.gz XEFKIFJTCUHCIV-NEPJUHHUSA-N 1 0 334.376 2.352 20 5 EEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3OCCO4)CC2)n1 ZINC000373272188 466748875 /nfs/dbraw/zinc/74/88/75/466748875.db2.gz GCNSGPGKVTVAPN-UHFFFAOYSA-N 1 0 344.371 2.400 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373280317 466751729 /nfs/dbraw/zinc/75/17/29/466751729.db2.gz WUWIPRHYYJCLNE-SJCJKPOMSA-N 1 0 333.388 2.077 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417136048 466789852 /nfs/dbraw/zinc/78/98/52/466789852.db2.gz KBLGNEKFMKNLLG-PMOUVXMZSA-N 1 0 332.404 2.343 20 5 EEBDRO COC(=O)c1cnc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000370205296 466795918 /nfs/dbraw/zinc/79/59/18/466795918.db2.gz YZKUKQDPQGAWTK-UHFFFAOYSA-N 1 0 348.403 2.089 20 5 EEBDRO O=C1[C@H]([NH2+]C2(C3CC3)CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375695887 466865265 /nfs/dbraw/zinc/86/52/65/466865265.db2.gz CWLPTLIREILPPD-MRXNPFEDSA-N 1 0 345.399 2.249 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417714293 466915353 /nfs/dbraw/zinc/91/53/53/466915353.db2.gz IEYNAIZSCDQHHC-UHFFFAOYSA-N 1 0 349.435 2.099 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417736769 466920484 /nfs/dbraw/zinc/92/04/84/466920484.db2.gz XBZUZETWUHOKBU-KRWDZBQOSA-N 1 0 334.420 2.298 20 5 EEBDRO COC(=O)[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000411908952 466930222 /nfs/dbraw/zinc/93/02/22/466930222.db2.gz FDAUJLBUTMPGLY-KGLIPLIRSA-N 1 0 335.404 2.001 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412050052 466982761 /nfs/dbraw/zinc/98/27/61/466982761.db2.gz SCEUOZQXFWTEDQ-IATRGZMQSA-N 1 0 333.388 2.015 20 5 EEBDRO CC(C)c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424380177 467036009 /nfs/dbraw/zinc/03/60/09/467036009.db2.gz PPYQDUIKWCCMIG-DLBZAZTESA-N 1 0 343.431 2.378 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087562 467041322 /nfs/dbraw/zinc/04/13/22/467041322.db2.gz HOAHTMJARZRLQV-SECBINFHSA-N 1 0 348.325 2.268 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233292 467081455 /nfs/dbraw/zinc/08/14/55/467081455.db2.gz ODUHWXFWLNPYAE-YUDUHTQSSA-N 1 0 332.404 2.425 20 5 EEBDRO C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000418349154 467096801 /nfs/dbraw/zinc/09/68/01/467096801.db2.gz RUBDHUPTVPDYRP-TZMCWYRMSA-N 1 0 332.404 2.051 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000432136678 467219062 /nfs/dbraw/zinc/21/90/62/467219062.db2.gz DNMMLUKCQYUGCP-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO CCS(=O)(=O)CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000413572004 467269137 /nfs/dbraw/zinc/26/91/37/467269137.db2.gz JGZSLQIXCQIYEA-UHFFFAOYSA-N 1 0 337.401 2.110 20 5 EEBDRO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420271300 467333713 /nfs/dbraw/zinc/33/37/13/467333713.db2.gz HLPSRBOBRNJMCX-GXTWGEPZSA-N 1 0 327.388 2.321 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420335704 467363656 /nfs/dbraw/zinc/36/36/56/467363656.db2.gz LXBORYVIOLJGDK-ZYHUDNBSSA-N 1 0 340.811 2.246 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420363808 467379027 /nfs/dbraw/zinc/37/90/27/467379027.db2.gz JUYWJEHHCJCJGT-JRPNMDOOSA-N 1 0 331.376 2.121 20 5 EEBDRO CN(C(=O)CN1CCC([NH2+]CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430588448 467446045 /nfs/dbraw/zinc/44/60/45/467446045.db2.gz DVJZGLVUUAPYNM-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408013944 467495455 /nfs/dbraw/zinc/49/54/55/467495455.db2.gz ZFEVPALAKZQBPN-OBJOEFQTSA-N 1 0 349.435 2.114 20 5 EEBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000408041976 467499261 /nfs/dbraw/zinc/49/92/61/467499261.db2.gz PEKXDYFCSWUEHZ-QWHCGFSZSA-N 1 0 341.433 2.006 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CCCO ZINC000449386968 467635203 /nfs/dbraw/zinc/63/52/03/467635203.db2.gz KEZNQKDLPYWSMX-NVXWUHKLSA-N 1 0 335.448 2.352 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000457529179 467643611 /nfs/dbraw/zinc/64/36/11/467643611.db2.gz LZSIACJQXRDNKQ-CQSZACIVSA-N 1 0 349.435 2.038 20 5 EEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449456266 467648202 /nfs/dbraw/zinc/64/82/02/467648202.db2.gz MFWJFMCHFRTNNE-QMTHXVAHSA-N 1 0 346.330 2.337 20 5 EEBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449708542 467696528 /nfs/dbraw/zinc/69/65/28/467696528.db2.gz VOZVTLWILYMXKY-CZUORRHYSA-N 1 0 330.388 2.246 20 5 EEBDRO Cc1cc(OCC(=O)NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457046339 467738535 /nfs/dbraw/zinc/73/85/35/467738535.db2.gz BUMNHMWKKTUWDN-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000458224746 467792416 /nfs/dbraw/zinc/79/24/16/467792416.db2.gz RPPWXQQGROOPJD-CYBMUJFWSA-N 1 0 335.404 2.374 20 5 EEBDRO C[C@@H]1C[N@H+](CCCNc2nccc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000450486208 467857976 /nfs/dbraw/zinc/85/79/76/467857976.db2.gz KRUKDJNJSBKZLM-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000494456696 468057752 /nfs/dbraw/zinc/05/77/52/468057752.db2.gz XVYIDMAWJIODPY-CJNGLKHVSA-N 1 0 347.371 2.050 20 5 EEBDRO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)C1 ZINC000517016707 468065333 /nfs/dbraw/zinc/06/53/33/468065333.db2.gz GOGARZLZWSRYBF-OCCSQVGLSA-N 1 0 343.387 2.204 20 5 EEBDRO O=C(CCN[C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000517732881 468095021 /nfs/dbraw/zinc/09/50/21/468095021.db2.gz RDQHWOAOPBLSJI-DZGCQCFKSA-N 1 0 332.404 2.140 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1C ZINC000567697079 468187404 /nfs/dbraw/zinc/18/74/04/468187404.db2.gz OFUKWIYJXVENRI-HNNXBMFYSA-N 1 0 331.372 2.136 20 5 EEBDRO Cc1c(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763484 468517399 /nfs/dbraw/zinc/51/73/99/468517399.db2.gz LNGBZIRQAMVGOT-GOSISDBHSA-N 1 0 343.427 2.486 20 5 EEBDRO C[C@@]1(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000597434483 468554287 /nfs/dbraw/zinc/55/42/87/468554287.db2.gz ZKMSVCYLBGJWRA-CYBMUJFWSA-N 1 0 346.309 2.165 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597439989 468556575 /nfs/dbraw/zinc/55/65/75/468556575.db2.gz KHEGSQXXAAQWQO-MRXNPFEDSA-N 1 0 344.415 2.411 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000592140012 468633879 /nfs/dbraw/zinc/63/38/79/468633879.db2.gz SYENEIWQCWTTSX-DOTOQJQBSA-N 1 0 343.383 2.219 20 5 EEBDRO C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182220 468647684 /nfs/dbraw/zinc/64/76/84/468647684.db2.gz MUFSLCXGAVBHBY-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597716738 468648580 /nfs/dbraw/zinc/64/85/80/468648580.db2.gz TVHYWTRHMPWMAK-QGZVFWFLSA-N 1 0 332.404 2.194 20 5 EEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1[NH3+] ZINC000592332254 468678961 /nfs/dbraw/zinc/67/89/61/468678961.db2.gz INNBGCPWAIRCBZ-SMDDNHRTSA-N 1 0 328.372 2.342 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592567585 468730872 /nfs/dbraw/zinc/73/08/72/468730872.db2.gz DGHOISAURBQYEB-CYBMUJFWSA-N 1 0 333.388 2.398 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1O ZINC000594959828 468731866 /nfs/dbraw/zinc/73/18/66/468731866.db2.gz GZQHFKCXELZKPW-MNDBLIDSSA-N 1 0 342.417 2.088 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000595054332 468749879 /nfs/dbraw/zinc/74/98/79/468749879.db2.gz ZYUNOEOKVCHURT-NSHDSACASA-N 1 0 344.433 2.467 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(N2CCOCC2)CC1 ZINC000595053129 468750028 /nfs/dbraw/zinc/75/00/28/468750028.db2.gz ZVOZFCXQNVXROY-ZDUSSCGKSA-N 1 0 335.404 2.119 20 5 EEBDRO CC(C)[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601156195 468764123 /nfs/dbraw/zinc/76/41/23/468764123.db2.gz SXAQFGWJKNTGQK-VIFPVBQESA-N 1 0 335.330 2.124 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000601190107 468776348 /nfs/dbraw/zinc/77/63/48/468776348.db2.gz ZSSUCNLIKKQZLI-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571396416 468782340 /nfs/dbraw/zinc/78/23/40/468782340.db2.gz FPHRUNYMWCRIGE-BXUZGUMPSA-N 1 0 349.387 2.333 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000601439885 468874930 /nfs/dbraw/zinc/87/49/30/468874930.db2.gz XCNNRHQJKSSSAV-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000593383185 468958781 /nfs/dbraw/zinc/95/87/81/468958781.db2.gz CHVVZRCDWYJUKS-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1ccccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572631523 468962044 /nfs/dbraw/zinc/96/20/44/468962044.db2.gz XVFYNZLKQXSQCO-INIZCTEOSA-N 1 0 330.384 2.475 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595705591 468963088 /nfs/dbraw/zinc/96/30/88/468963088.db2.gz WXFAOWVGQQSSNM-CQSZACIVSA-N 1 0 349.435 2.179 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598716143 468970866 /nfs/dbraw/zinc/97/08/66/468970866.db2.gz YFPPVCCFFNUVMT-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3CCO)CC2)cn1 ZINC000602623176 468972053 /nfs/dbraw/zinc/97/20/53/468972053.db2.gz FVCPABQHOMFNHS-BBRMVZONSA-N 1 0 334.420 2.099 20 5 EEBDRO CCN1C[C@@H](C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)Oc2ccccc21 ZINC000610484841 468981238 /nfs/dbraw/zinc/98/12/38/468981238.db2.gz OOUMUVMBPGNAKI-CQSZACIVSA-N 1 0 345.403 2.011 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000602654175 468989908 /nfs/dbraw/zinc/98/99/08/468989908.db2.gz PPBUFCQFDYQKFV-NVXWUHKLSA-N 1 0 334.416 2.295 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c1C ZINC000610519069 468994752 /nfs/dbraw/zinc/99/47/52/468994752.db2.gz CPXJXMWHUQOERQ-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593518969 469013243 /nfs/dbraw/zinc/01/32/43/469013243.db2.gz WWLIUCDTHXOHCT-CYBMUJFWSA-N 1 0 337.395 2.371 20 5 EEBDRO C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](C)O1 ZINC000602690483 469013538 /nfs/dbraw/zinc/01/35/38/469013538.db2.gz NOSCSIBAAVMJSR-MCIONIFRSA-N 1 0 334.420 2.362 20 5 EEBDRO CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602697264 469019465 /nfs/dbraw/zinc/01/94/65/469019465.db2.gz NNGSHILHJMXICS-UKRRQHHQSA-N 1 0 336.436 2.345 20 5 EEBDRO COc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCC2)c1 ZINC000595850097 469043393 /nfs/dbraw/zinc/04/33/93/469043393.db2.gz LAJVUDVTXNKWSC-UHFFFAOYSA-N 1 0 343.383 2.434 20 5 EEBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915153 469048381 /nfs/dbraw/zinc/04/83/81/469048381.db2.gz IXGNUWSHAYYTMD-PELKAZGASA-N 1 0 342.783 2.483 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602773847 469065422 /nfs/dbraw/zinc/06/54/22/469065422.db2.gz WXVPCEQLSGZTII-UHFFFAOYSA-N 1 0 338.408 2.153 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000573136019 469068432 /nfs/dbraw/zinc/06/84/32/469068432.db2.gz NAGVBNYRCIFJGR-UHFFFAOYSA-N 1 0 333.388 2.048 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000602839722 469110111 /nfs/dbraw/zinc/11/01/11/469110111.db2.gz JHGOJDARYGORTJ-CABCVRRESA-N 1 0 334.420 2.381 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000611155689 469176136 /nfs/dbraw/zinc/17/61/36/469176136.db2.gz LOXGYOWKLMKOSJ-KRWDZBQOSA-N 1 0 346.431 2.407 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOC2)CC1 ZINC000611177317 469182961 /nfs/dbraw/zinc/18/29/61/469182961.db2.gz DUTSPZZEOKZKRN-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000602949294 469186395 /nfs/dbraw/zinc/18/63/95/469186395.db2.gz XZKYBMFCJXWBDJ-ZIAGYGMSSA-N 1 0 349.435 2.304 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCC(C)CC2)n1 ZINC000596487957 469281963 /nfs/dbraw/zinc/28/19/63/469281963.db2.gz MGTUVUIOLGVCGH-LBPRGKRZSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596487825 469282082 /nfs/dbraw/zinc/28/20/82/469282082.db2.gz KEIZTIMFVPTUGH-GFCCVEGCSA-N 1 0 345.403 2.776 20 5 EEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587013 469301254 /nfs/dbraw/zinc/30/12/54/469301254.db2.gz KGUPLAHXGTXUDU-CHWSQXEVSA-N 1 0 338.408 2.091 20 5 EEBDRO Cc1cc(N2CCN3C(=O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931112 469347791 /nfs/dbraw/zinc/34/77/91/469347791.db2.gz RYXFHROLAUXDAB-ZDUSSCGKSA-N 1 0 326.356 2.262 20 5 EEBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602524781 469349708 /nfs/dbraw/zinc/34/97/08/469349708.db2.gz FOPJLFDRQPMDOT-MRXNPFEDSA-N 1 0 344.415 2.209 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000602542367 469354478 /nfs/dbraw/zinc/35/44/78/469354478.db2.gz VXRQHGGZWRFURD-SFYZADRCSA-N 1 0 337.323 2.256 20 5 EEBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C1CC1 ZINC000602544307 469355517 /nfs/dbraw/zinc/35/55/17/469355517.db2.gz OPMIKCSMGXJRFH-CYBMUJFWSA-N 1 0 333.436 2.031 20 5 EEBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567376 469364202 /nfs/dbraw/zinc/36/42/02/469364202.db2.gz CHZJXDGSLGWVQN-CXAGYDPISA-N 1 0 345.447 2.031 20 5 EEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602583953 469371999 /nfs/dbraw/zinc/37/19/99/469371999.db2.gz WGUCACDXXPFPAL-XJKSGUPXSA-N 1 0 334.420 2.363 20 5 EEBDRO Cn1cc(CCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000604442793 469479731 /nfs/dbraw/zinc/47/97/31/469479731.db2.gz PSJRQROBQAXUSA-UHFFFAOYSA-N 1 0 329.404 2.083 20 5 EEBDRO COc1ccc(CC(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000609016369 469888755 /nfs/dbraw/zinc/88/87/55/469888755.db2.gz UOJYRVRKGMFEBA-UHFFFAOYSA-N 1 0 347.415 2.137 20 5 EEBDRO C[C@](CO)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609483966 469931254 /nfs/dbraw/zinc/93/12/54/469931254.db2.gz WRYSVUZDMCFJAK-QGZVFWFLSA-N 1 0 329.356 2.031 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000610271509 469997755 /nfs/dbraw/zinc/99/77/55/469997755.db2.gz UWGQEHIDQVRUFV-OAHLLOKOSA-N 1 0 329.404 2.446 20 5 EEBDRO COCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367386 470007896 /nfs/dbraw/zinc/00/78/96/470007896.db2.gz MKFQTHSRBGOXHG-ZDUSSCGKSA-N 1 0 335.404 2.130 20 5 EEBDRO CC(C)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000416006151 527277142 /nfs/dbraw/zinc/27/71/42/527277142.db2.gz KXEJAJOPYYGXQJ-LLVKDONJSA-N 1 0 348.325 2.409 20 5 EEBDRO CCOc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000129199021 528220887 /nfs/dbraw/zinc/22/08/87/528220887.db2.gz DRQVCHLDULWZBM-FOSCPWQOSA-N 1 0 349.387 2.015 20 5 EEBDRO CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000262623529 535201802 /nfs/dbraw/zinc/20/18/02/535201802.db2.gz AJYQNVTXECVKRA-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000726585119 576277846 /nfs/dbraw/zinc/27/78/46/576277846.db2.gz MKWAUWIKMHFGMS-UHFFFAOYSA-N 1 0 332.360 2.195 20 5 EEBDRO C[Si](C)(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000731211683 577086599 /nfs/dbraw/zinc/08/65/99/577086599.db2.gz VESXCIOWQYJZHK-UHFFFAOYSA-N 1 0 327.482 2.292 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CCCC[NH+]3CCCC3)n2)n1C ZINC000771462427 577213931 /nfs/dbraw/zinc/21/39/31/577213931.db2.gz IECDQQSVWWRIEJ-UHFFFAOYSA-N 1 0 334.380 2.105 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774634315 577407985 /nfs/dbraw/zinc/40/79/85/577407985.db2.gz DLRVXNQJQLZYDT-LLVKDONJSA-N 1 0 337.811 2.439 20 5 EEBDRO COc1ccccc1OCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776270731 577456114 /nfs/dbraw/zinc/45/61/14/577456114.db2.gz GCYCYMWSKNYIBZ-HNNXBMFYSA-N 1 0 332.356 2.305 20 5 EEBDRO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506858 577685134 /nfs/dbraw/zinc/68/51/34/577685134.db2.gz OBIJIHZQZWAWJY-UHFFFAOYSA-N 1 0 327.812 2.402 20 5 EEBDRO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCSC1 ZINC000764568592 577739044 /nfs/dbraw/zinc/73/90/44/577739044.db2.gz LWEGASCZVPZNEQ-LBPRGKRZSA-N 1 0 343.836 2.302 20 5 EEBDRO C[N@H+](CCC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000746638468 577931369 /nfs/dbraw/zinc/93/13/69/577931369.db2.gz YWXTYOMUIDVNTG-UHFFFAOYSA-N 1 0 332.360 2.053 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748713185 577966005 /nfs/dbraw/zinc/96/60/05/577966005.db2.gz QXJRSSOJCGAIDQ-KBPBESRZSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000740859772 578108196 /nfs/dbraw/zinc/10/81/96/578108196.db2.gz MQNCDWKQKXYKNE-NWDGAFQWSA-N 1 0 332.360 2.051 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000736298555 578193980 /nfs/dbraw/zinc/19/39/80/578193980.db2.gz ZPACYUOYGQILEU-ZDUSSCGKSA-N 1 0 345.403 2.155 20 5 EEBDRO CCO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000932972142 676385397 /nfs/dbraw/zinc/38/53/97/676385397.db2.gz CIHAOUXSYRAYTB-ZDUSSCGKSA-N 1 0 335.360 2.004 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC(F)(F)C1 ZINC001021948079 676556022 /nfs/dbraw/zinc/55/60/22/676556022.db2.gz HTUNBFXKWWCEFM-BETUJISGSA-N 1 0 339.342 2.377 20 5 EEBDRO CC(C)N(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043029 677767593 /nfs/dbraw/zinc/76/75/93/677767593.db2.gz INUXBZIAGUNAGG-UHFFFAOYSA-N 1 0 335.408 2.219 20 5 EEBDRO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000891980375 677838795 /nfs/dbraw/zinc/83/87/95/677838795.db2.gz FJVBPTQZTPNEEJ-ZIAGYGMSSA-N 1 0 346.431 2.482 20 5 EEBDRO Cn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000983461395 682698876 /nfs/dbraw/zinc/69/88/76/682698876.db2.gz MBILGPOBEXKBMT-YEORSEQZSA-N 1 0 348.428 2.293 20 5 EEBDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000063802971 686281743 /nfs/dbraw/zinc/28/17/43/686281743.db2.gz OQBVRDRLFLZWRI-SJCJKPOMSA-N 1 0 334.420 2.417 20 5 EEBDRO CC(C)C[NH+]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000054428648 690099005 /nfs/dbraw/zinc/09/90/05/690099005.db2.gz PVXNYHHKBFSAGR-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000027752193 694367307 /nfs/dbraw/zinc/36/73/07/694367307.db2.gz PLOAMHLRVMKZLI-ZDUSSCGKSA-N 1 0 334.420 2.265 20 5 EEBDRO Cc1ncccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000898251875 691913691 /nfs/dbraw/zinc/91/36/91/691913691.db2.gz OSPFTKILQBFUAV-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO Cc1ncoc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990686548 693216625 /nfs/dbraw/zinc/21/66/25/693216625.db2.gz BQTBAVBLABWTOS-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000813630123 1199110310 /nfs/dbraw/zinc/11/03/10/1199110310.db2.gz HTWKUHCVFLWPDO-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839558 1199773401 /nfs/dbraw/zinc/77/34/01/1199773401.db2.gz XIRQTUDLDQZJFS-DZGCQCFKSA-N 1 0 344.371 2.115 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877177631 1199876074 /nfs/dbraw/zinc/87/60/74/1199876074.db2.gz UPXVVHYRLOHXRI-XPUUQOCRSA-N 1 0 346.156 2.058 20 5 EEBDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866244555 1201474859 /nfs/dbraw/zinc/47/48/59/1201474859.db2.gz QCDJFYOMEVEBBC-SWLSCSKDSA-N 1 0 328.384 2.288 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCO[C@@H]1CCOC1 ZINC000866281620 1201482876 /nfs/dbraw/zinc/48/28/76/1201482876.db2.gz BDEUKPUBFKEUBP-SWLSCSKDSA-N 1 0 326.368 2.450 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866357809 1201499299 /nfs/dbraw/zinc/49/92/99/1201499299.db2.gz FVEPBIQMQXSZCQ-LLVKDONJSA-N 1 0 332.397 2.078 20 5 EEBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866358160 1201499943 /nfs/dbraw/zinc/49/99/43/1201499943.db2.gz HAQCBAQJUSBIQT-MFKMUULPSA-N 1 0 343.424 2.122 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000866364868 1201500742 /nfs/dbraw/zinc/50/07/42/1201500742.db2.gz DMZUOHXCCMUAJT-BBRMVZONSA-N 1 0 339.411 2.101 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000866368263 1201501440 /nfs/dbraw/zinc/50/14/40/1201501440.db2.gz ZJBGVMWYJNZPPS-VBNZEHGJSA-N 1 0 337.395 2.118 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000866369688 1201501524 /nfs/dbraw/zinc/50/15/24/1201501524.db2.gz NCZBZRFIFMHZDB-DFBGVHRSSA-N 1 0 335.379 2.408 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCCOC1 ZINC000866384345 1201504782 /nfs/dbraw/zinc/50/47/82/1201504782.db2.gz KXUNSWBURFPWJO-BLLLJJGKSA-N 1 0 326.368 2.186 20 5 EEBDRO C[C@@]([NH3+])(C(=O)NC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867976603 1201718249 /nfs/dbraw/zinc/71/82/49/1201718249.db2.gz NQTSZNGYPKTMAP-SFHVURJKSA-N 1 0 325.368 2.052 20 5 EEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000890065612 1204775011 /nfs/dbraw/zinc/77/50/11/1204775011.db2.gz KZDZRHZIPUHALY-INIZCTEOSA-N 1 0 332.404 2.363 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000009917155 1205701732 /nfs/dbraw/zinc/70/17/32/1205701732.db2.gz DYKANVSJKCDCBL-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO Cc1c(CC(=O)NCc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000927701434 1206292889 /nfs/dbraw/zinc/29/28/89/1206292889.db2.gz UJBNOZFTUPPXNC-UHFFFAOYSA-N 1 0 328.372 2.223 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@H]([NH+]4CC=CC4)C3)c2)c1 ZINC000777956452 1206608058 /nfs/dbraw/zinc/60/80/58/1206608058.db2.gz HBGDLRDXWMQINR-GOSISDBHSA-N 1 0 339.399 2.362 20 5 EEBDRO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000932440962 1207607307 /nfs/dbraw/zinc/60/73/07/1207607307.db2.gz XCGPBGMMCLITGH-OAHLLOKOSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000778248665 1207965236 /nfs/dbraw/zinc/96/52/36/1207965236.db2.gz WWFVEPWZHDFWME-SNVBAGLBSA-N 1 0 349.416 2.204 20 5 EEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795700442 1214981531 /nfs/dbraw/zinc/98/15/31/1214981531.db2.gz BUOGNMUZHMOTPF-TZMCWYRMSA-N 1 0 346.387 2.019 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420413571 1217551242 /nfs/dbraw/zinc/55/12/42/1217551242.db2.gz ZLNJXOQZDOMRRL-KRWDZBQOSA-N 1 0 332.404 2.060 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1C ZINC001019984068 1229428528 /nfs/dbraw/zinc/42/85/28/1229428528.db2.gz SYZMFMOLMDFHDU-SHTZXODSSA-N 1 0 342.399 2.292 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020059474 1229464971 /nfs/dbraw/zinc/46/49/71/1229464971.db2.gz WGHOTJDDJQWNCG-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO CCN(CCCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095954784 1232556685 /nfs/dbraw/zinc/55/66/85/1232556685.db2.gz ISYDJCUDFZCASO-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001096038243 1233839713 /nfs/dbraw/zinc/83/97/13/1233839713.db2.gz YKHTXOHFMVEILJ-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO O=C(/C=C\C1CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048746856 1238502432 /nfs/dbraw/zinc/50/24/32/1238502432.db2.gz YRORTIVETPBNEC-NBAKUHIDSA-N 1 0 341.411 2.451 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097184844 1243796922 /nfs/dbraw/zinc/79/69/22/1243796922.db2.gz MZPSZXGHDYCHNN-GASCZTMLSA-N 1 0 334.420 2.304 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097231200 1243857696 /nfs/dbraw/zinc/85/76/96/1243857696.db2.gz UMTMFCCPYNQMRE-OKILXGFUSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1cc(NCCN(C)C(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001101917433 1246249479 /nfs/dbraw/zinc/24/94/79/1246249479.db2.gz LCFHHEDZMXSMDC-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626974 1278154845 /nfs/dbraw/zinc/15/48/45/1278154845.db2.gz PQZRCKMKJIBZAQ-RMLVOYDJSA-N 1 0 329.356 2.322 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC2(C1)CCOCC2 ZINC001147726166 1278404774 /nfs/dbraw/zinc/40/47/74/1278404774.db2.gz OZNKWURDTAGVDY-UHFFFAOYSA-N 1 0 347.415 2.007 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000701116256 1277774764 /nfs/dbraw/zinc/77/47/64/1277774764.db2.gz MHZCNTGQOHWSBR-VIFPVBQESA-N 1 0 342.193 2.311 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000852284057 1292076835 /nfs/dbraw/zinc/07/68/35/1292076835.db2.gz GLAWLJVWHHLVGI-INIZCTEOSA-N 1 0 338.379 2.391 20 5 EEBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000852920156 1292235821 /nfs/dbraw/zinc/23/58/21/1292235821.db2.gz MLGDLJAZAPKJQS-ZDUSSCGKSA-N 1 0 334.420 2.169 20 5 EEBDRO CC[C@@H](C)C[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111254846 1292361922 /nfs/dbraw/zinc/36/19/22/1292361922.db2.gz CWWGSCHZCDRMQC-OAHLLOKOSA-N 1 0 348.447 2.221 20 5 EEBDRO COc1cc(NCCN2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800173 1292459027 /nfs/dbraw/zinc/45/90/27/1292459027.db2.gz TWFVYIXNYCQBAP-NEPJUHHUSA-N 1 0 339.392 2.133 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)n1C ZINC000854153821 1292649836 /nfs/dbraw/zinc/64/98/36/1292649836.db2.gz VQRUJJMJNIWRAZ-UHFFFAOYSA-N 1 0 346.372 2.061 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000860447341 1294972690 /nfs/dbraw/zinc/97/26/90/1294972690.db2.gz JIHQMSUMCBKFGK-VXGBXAGGSA-N 1 0 343.836 2.366 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+](C)C ZINC000860447340 1294972888 /nfs/dbraw/zinc/97/28/88/1294972888.db2.gz JIHQMSUMCBKFGK-RYUDHWBXSA-N 1 0 343.836 2.366 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862532083 1295869015 /nfs/dbraw/zinc/86/90/15/1295869015.db2.gz PBPPTXBXVRIROJ-LLVKDONJSA-N 1 0 334.203 2.058 20 5 EEBDRO O=c1c2cc(O[C@H]3CCC[NH2+]C3)c(O)cc2oc2cccc(O)c12 ZINC001218281580 1297622066 /nfs/dbraw/zinc/62/20/66/1297622066.db2.gz IMVNXVIYRWQOMQ-JTQLQIEISA-N 1 0 327.336 2.488 20 5 EEBDRO CCOCCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222604871 1299721398 /nfs/dbraw/zinc/72/13/98/1299721398.db2.gz NCPZSYKTJJTXEN-UHFFFAOYSA-N 1 0 349.431 2.350 20 5 EEBDRO Cc1cnc(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001101890326 1299991537 /nfs/dbraw/zinc/99/15/37/1299991537.db2.gz WTSSREYOGLVTPH-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC001102198588 1300549429 /nfs/dbraw/zinc/54/94/29/1300549429.db2.gz FYIJXQLHYYAOKJ-CALCHBBNSA-N 1 0 346.431 2.116 20 5 EEBDRO CCCCOCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226689851 1301509570 /nfs/dbraw/zinc/50/95/70/1301509570.db2.gz ITBKRAYVMOMCER-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO COC(=O)c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001227298364 1301771140 /nfs/dbraw/zinc/77/11/40/1301771140.db2.gz PFXRNKLQYSJHRU-VIKVFOODSA-N 1 0 334.372 2.491 20 5 EEBDRO Cc1cc(NC2(CNC(=O)C[NH+]3CCCC3)CCC2)ccc1[N+](=O)[O-] ZINC001111813384 1303927744 /nfs/dbraw/zinc/92/77/44/1303927744.db2.gz HMWSMYHJOKVPDH-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001118778066 1308941160 /nfs/dbraw/zinc/94/11/60/1308941160.db2.gz RECYWKSXUXXNTG-LBPRGKRZSA-N 1 0 334.420 2.487 20 5 EEBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001121966802 1310189671 /nfs/dbraw/zinc/18/96/71/1310189671.db2.gz SQQIFNQBUFXBCK-JCURWCKSSA-N 1 0 345.399 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246084595 1310234172 /nfs/dbraw/zinc/23/41/72/1310234172.db2.gz KUXBLVULAFIINN-SRVKXCTJSA-N 1 0 325.384 2.404 20 5 EEBDRO COc1ccc(C[C@@H](C)N2C[C@@H]([NH3+])CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001246583500 1310348221 /nfs/dbraw/zinc/34/82/21/1310348221.db2.gz HBAAQEQBFGGOMK-PWSUYJOCSA-N 1 0 329.347 2.203 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837177047 1315059307 /nfs/dbraw/zinc/05/93/07/1315059307.db2.gz KSEVKWPQPOLVCG-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO CO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000840141150 1315307803 /nfs/dbraw/zinc/30/78/03/1315307803.db2.gz QBWJGKGFDQXRAT-LSDHHAIUSA-N 1 0 345.403 2.495 20 5 EEBDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000841856815 1315625395 /nfs/dbraw/zinc/62/53/95/1315625395.db2.gz BITAFLUOAYANTD-UWVGGRQHSA-N 1 0 326.784 2.140 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476485 1315713016 /nfs/dbraw/zinc/71/30/16/1315713016.db2.gz PNUNMAPNUWPFJZ-IQMDTDKHSA-N 1 0 340.811 2.163 20 5 EEBDRO C[NH2+]C[C@H](C)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000842579185 1315725414 /nfs/dbraw/zinc/72/54/14/1315725414.db2.gz MBKFUSQHFWRBTK-JTQLQIEISA-N 1 0 328.332 2.153 20 5 EEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000843154888 1315857058 /nfs/dbraw/zinc/85/70/58/1315857058.db2.gz RQZDWAWUKULWIH-CYBMUJFWSA-N 1 0 328.332 2.486 20 5 EEBDRO C[NH2+]CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000843358261 1315899448 /nfs/dbraw/zinc/89/94/48/1315899448.db2.gz JRJZRIZZBLYEOK-UHFFFAOYSA-N 1 0 346.353 2.345 20 5 EEBDRO Cc1c(CC(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cccc1[N+](=O)[O-] ZINC000843456108 1315917995 /nfs/dbraw/zinc/91/79/95/1315917995.db2.gz AQEDXSRFKHFNCP-UHFFFAOYSA-N 1 0 343.387 2.205 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000843477727 1315920619 /nfs/dbraw/zinc/92/06/19/1315920619.db2.gz UKHVPDJFKTZOCH-GFCCVEGCSA-N 1 0 336.348 2.155 20 5 EEBDRO CCc1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001153204058 1316790725 /nfs/dbraw/zinc/79/07/25/1316790725.db2.gz VESIFIWRCAEPRK-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO COc1ncccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249279344 1317042218 /nfs/dbraw/zinc/04/22/18/1317042218.db2.gz ZVDBRMGZCFLFNY-CYBMUJFWSA-N 1 0 341.327 2.291 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001155247427 1317519967 /nfs/dbraw/zinc/51/99/67/1317519967.db2.gz HJSWLXATRPZDQM-VIFPVBQESA-N 1 0 341.327 2.135 20 5 EEBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)nc21 ZINC001155458816 1317604862 /nfs/dbraw/zinc/60/48/62/1317604862.db2.gz LSKYNGIRBWUZLN-LBPRGKRZSA-N 1 0 340.387 2.494 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001253694722 1317915683 /nfs/dbraw/zinc/91/56/83/1317915683.db2.gz QSYFCFLBXYFLIM-CVEARBPZSA-N 1 0 334.420 2.309 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001254570663 1318125153 /nfs/dbraw/zinc/12/51/53/1318125153.db2.gz PHPDYPSCUTWDIK-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO COc1cccc(C[C@@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254579902 1318129411 /nfs/dbraw/zinc/12/94/11/1318129411.db2.gz WVPNJFKWJIOFAN-SJORKVTESA-N 1 0 342.395 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCCC(F)(F)C1)C2 ZINC001254582009 1318131684 /nfs/dbraw/zinc/13/16/84/1318131684.db2.gz RSGTVUNTRYYBOY-CQSZACIVSA-N 1 0 325.359 2.383 20 5 EEBDRO N=c1sc2c(n1[C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC[C@H]([NH3+])C2 ZINC001254585309 1318133558 /nfs/dbraw/zinc/13/35/58/1318133558.db2.gz VFOCFZROWSUEAD-WCQYABFASA-N 1 0 330.413 2.093 20 5 EEBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001254606093 1318142427 /nfs/dbraw/zinc/14/24/27/1318142427.db2.gz DNYSXGACPPKHGL-XOKHGSTOSA-N 1 0 329.400 2.005 20 5 EEBDRO CSc1nc(Cl)nc(N(C)[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156967794 1318317401 /nfs/dbraw/zinc/31/74/01/1318317401.db2.gz IELGVJDQRQMWMP-GFCCVEGCSA-N 1 0 331.829 2.338 20 5 EEBDRO O=C(/C=C/c1ccc[nH]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157073852 1318383686 /nfs/dbraw/zinc/38/36/86/1318383686.db2.gz GWWFQKWDAFPVMR-SNAWJCMRSA-N 1 0 334.401 2.294 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@@H](OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087316 1318644880 /nfs/dbraw/zinc/64/48/80/1318644880.db2.gz WKAVWCXXIHOBNS-OTVXOJSOSA-N 1 0 335.404 2.339 20 5 EEBDRO Cc1ncn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1CSCC[NH3+] ZINC001157963626 1318950361 /nfs/dbraw/zinc/95/03/61/1318950361.db2.gz KVUAQCUXSHXYHO-UHFFFAOYSA-N 1 0 332.389 2.157 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC001157987504 1318960587 /nfs/dbraw/zinc/96/05/87/1318960587.db2.gz ZHJWDSBNOIIBHU-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO CCCn1nccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001158961109 1319530886 /nfs/dbraw/zinc/53/08/86/1319530886.db2.gz SUCWUCKJWMVMEE-UHFFFAOYSA-N 1 0 345.403 2.111 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1C=CC=CC=C1 ZINC001159027034 1319565117 /nfs/dbraw/zinc/56/51/17/1319565117.db2.gz SWCPTKMXUKVFGR-UHFFFAOYSA-N 1 0 327.384 2.489 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160201497 1320097270 /nfs/dbraw/zinc/09/72/70/1320097270.db2.gz XCCPLAWMBBPUKH-JTQLQIEISA-N 1 0 325.328 2.329 20 5 EEBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC001162899301 1320984715 /nfs/dbraw/zinc/98/47/15/1320984715.db2.gz MVZZJDMRCNXOHA-SECBINFHSA-N 1 0 325.328 2.052 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc2cccnc21 ZINC001163176574 1321059451 /nfs/dbraw/zinc/05/94/51/1321059451.db2.gz UONPBDGFEOYUOR-XNRPHZJLSA-N 1 0 328.372 2.179 20 5 EEBDRO COc1cc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ncc1[N+](=O)[O-] ZINC001163215335 1321068845 /nfs/dbraw/zinc/06/88/45/1321068845.db2.gz GSRJSCHGMUXAOA-UHFFFAOYSA-N 1 0 325.328 2.310 20 5 EEBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2nc(C[NH3+])cc2C)n1 ZINC001163978362 1321261494 /nfs/dbraw/zinc/26/14/94/1321261494.db2.gz ZABAHKCMFKFVIY-UHFFFAOYSA-N 1 0 342.812 2.493 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)n2cnc3c2C[NH2+]CC3)cnc1Cl ZINC001164310141 1321346585 /nfs/dbraw/zinc/34/65/85/1321346585.db2.gz JDZWAZKAQDDEDM-UHFFFAOYSA-N 1 0 329.694 2.083 20 5 EEBDRO Cc1ccc(CC[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001164494792 1321396156 /nfs/dbraw/zinc/39/61/56/1321396156.db2.gz SGALDKNYQMHKPP-IAGOWNOFSA-N 1 0 345.443 2.079 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC001165151287 1321466076 /nfs/dbraw/zinc/46/60/76/1321466076.db2.gz QNUMONLUCIAQQD-BETUJISGSA-N 1 0 343.362 2.189 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C12CC3CC(CC(C3)C1)C2 ZINC001166593356 1321746283 /nfs/dbraw/zinc/74/62/83/1321746283.db2.gz SNUFAVXGBPBUEL-UHFFFAOYSA-N 1 0 343.431 2.477 20 5 EEBDRO Cc1ccc(C[N@H+]2CCCN(c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001306919913 1331499034 /nfs/dbraw/zinc/49/90/34/1331499034.db2.gz JNVZEXGNXYPVRG-UHFFFAOYSA-N 1 0 329.404 2.349 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](Nc2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001307175587 1331514904 /nfs/dbraw/zinc/51/49/04/1331514904.db2.gz NDBACPDIRPXZJY-GFCCVEGCSA-N 1 0 330.388 2.470 20 5 EEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC001307890826 1331554322 /nfs/dbraw/zinc/55/43/22/1331554322.db2.gz NIYWTOXIMGSSML-GFCCVEGCSA-N 1 0 330.344 2.094 20 5 EEBDRO Cc1ccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC001308356163 1331586779 /nfs/dbraw/zinc/58/67/79/1331586779.db2.gz HXSVHFYNKRYQSI-OAHLLOKOSA-N 1 0 345.374 2.476 20 5 EEBDRO Nc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC001310991963 1331740768 /nfs/dbraw/zinc/74/07/68/1331740768.db2.gz IHOOVTSYFXBOLA-ZDUSSCGKSA-N 1 0 333.392 2.315 20 5 EEBDRO [NH3+][C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001327086768 1334218937 /nfs/dbraw/zinc/21/89/37/1334218937.db2.gz GYJMSYZNLKPDQY-KRWDZBQOSA-N 1 0 346.431 2.151 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC001327250674 1334253300 /nfs/dbraw/zinc/25/33/00/1334253300.db2.gz HYZZJYTZIAFITL-UHFFFAOYSA-N 1 0 332.404 2.385 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001327750893 1334342056 /nfs/dbraw/zinc/34/20/56/1334342056.db2.gz CXQFPRXYQOGTAC-ZIAGYGMSSA-N 1 0 336.348 2.106 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC001330693557 1334887691 /nfs/dbraw/zinc/88/76/91/1334887691.db2.gz CUUSALCSCCBGEQ-UHFFFAOYSA-N 1 0 343.431 2.308 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2OCCC[C@H]2C1 ZINC001334844270 1336302886 /nfs/dbraw/zinc/30/28/86/1336302886.db2.gz KZYILCILXHEHGQ-DZGCQCFKSA-N 1 0 333.388 2.343 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1=O ZINC001336812813 1336598824 /nfs/dbraw/zinc/59/88/24/1336598824.db2.gz JTJNSDXLMWCKQH-TZMCWYRMSA-N 1 0 330.388 2.341 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001338722806 1336899586 /nfs/dbraw/zinc/89/95/86/1336899586.db2.gz WTLYBHXHEBHYQQ-MLGOLLRUSA-N 1 0 329.356 2.245 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC001341873179 1337303967 /nfs/dbraw/zinc/30/39/67/1337303967.db2.gz RNPFZODURXGGLJ-OAHLLOKOSA-N 1 0 349.434 2.352 20 5 EEBDRO COc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001347770671 1337520745 /nfs/dbraw/zinc/52/07/45/1337520745.db2.gz ALULMALCAVGLTJ-UHFFFAOYSA-N 1 0 334.376 2.163 20 5 EEBDRO CN(CCNC(=O)CCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100138955 1338060228 /nfs/dbraw/zinc/06/02/28/1338060228.db2.gz RZYJPGBFXXABLY-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001575670813 1343851242 /nfs/dbraw/zinc/85/12/42/1343851242.db2.gz OOUOMUKLLSOQEM-WFASDCNBSA-N 1 0 344.419 2.293 20 5 EEBDRO C[C@@H](C[NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001575991108 1343937615 /nfs/dbraw/zinc/93/76/15/1343937615.db2.gz MPHSNNUFSOBRKY-NSHDSACASA-N 1 0 330.392 2.047 20 5 EEBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC001579609085 1344399852 /nfs/dbraw/zinc/39/98/52/1344399852.db2.gz ZGLPJHVKKJLMIV-UHFFFAOYSA-N 1 0 331.347 2.474 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC001579642748 1344402339 /nfs/dbraw/zinc/40/23/39/1344402339.db2.gz UGNDGTXOZRKWBE-UHFFFAOYSA-N 1 0 347.824 2.106 20 5 EEBDRO O=[N+]([O-])c1ccc(NCc2ccc3c[nH+]cn3c2)c(-c2nn[nH]n2)c1 ZINC001582804467 1344793057 /nfs/dbraw/zinc/79/30/57/1344793057.db2.gz UCNQGJZWKYPPAU-UHFFFAOYSA-N 1 0 336.315 2.035 20 5 EEBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590437739 1349325706 /nfs/dbraw/zinc/32/57/06/1349325706.db2.gz QWSGWMALPQOSNT-GFCCVEGCSA-N 1 0 345.407 2.370 20 5 EEBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001170780207 1367854874 /nfs/dbraw/zinc/85/48/74/1367854874.db2.gz SPDDJLJWBQKAAG-SMDDNHRTSA-N 1 0 328.803 2.429 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC001135213044 1368060500 /nfs/dbraw/zinc/06/05/00/1368060500.db2.gz ZMPFPNRXONTAQT-UHFFFAOYSA-N 1 0 347.396 2.206 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000852713828 1369296339 /nfs/dbraw/zinc/29/63/39/1369296339.db2.gz PIGSANPMJSMICK-HZPDHXFCSA-N 1 0 338.310 2.230 20 5 EEBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001118088176 1371776118 /nfs/dbraw/zinc/77/61/18/1371776118.db2.gz ILUCLLLZVUBJJA-UKRRQHHQSA-N 1 0 334.420 2.386 20 5 EEBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001121720005 1371918882 /nfs/dbraw/zinc/91/88/82/1371918882.db2.gz LECVGLQLQHLCLC-NWDGAFQWSA-N 1 0 347.423 2.120 20 5 EEBDRO O=C(CC[NH2+]CC1(CO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001356544320 1373201708 /nfs/dbraw/zinc/20/17/08/1373201708.db2.gz DCTYHNVBQOLZIT-UHFFFAOYSA-N 1 0 335.404 2.456 20 5 EEBDRO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1)C1CCC1 ZINC001755092392 1407106295 /nfs/dbraw/zinc/10/62/95/1407106295.db2.gz JJQRCVWMHDNQKZ-UHFFFAOYSA-N 1 0 347.415 2.150 20 5 EEBDRO CC[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590521325 1403883928 /nfs/dbraw/zinc/88/39/28/1403883928.db2.gz CEQNNIQQKNAYJL-SNVBAGLBSA-N 1 0 334.405 2.102 20 5 EEBDRO COc1cc2ncnc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164642509 719202239 /nfs/dbraw/zinc/20/22/39/719202239.db2.gz WAZMNJJEVHNCSB-WDEREUQCSA-N 1 0 331.376 2.075 20 5 EEBDRO CN(C)/C=C\c1cc(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001165042866 721936798 /nfs/dbraw/zinc/93/67/98/721936798.db2.gz MSCKABPLQFSRPL-FPLPWBNLSA-N 1 0 333.436 2.300 20 5 EEBDRO O=C(c1ccon1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997569878 790305366 /nfs/dbraw/zinc/30/53/66/790305366.db2.gz HGANLWUJRYTAJP-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000919627661 770090087 /nfs/dbraw/zinc/09/00/87/770090087.db2.gz OUOSAQRMOXWGCN-IUODEOHRSA-N 1 0 332.404 2.439 20 5 EEBDRO CCCSC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563269 770779417 /nfs/dbraw/zinc/77/94/17/770779417.db2.gz MJSNKSIVRJAGGL-LBPRGKRZSA-N 1 0 346.474 2.490 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091359303 790433295 /nfs/dbraw/zinc/43/32/95/790433295.db2.gz YPALRSCDWSWMHA-OKILXGFUSA-N 1 0 349.435 2.028 20 5 EEBDRO CC[C@@]([NH3+])(CO)Nc1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170863091 784708229 /nfs/dbraw/zinc/70/82/29/784708229.db2.gz MLRRZFFZVNEKJH-HNNXBMFYSA-N 1 0 325.365 2.019 20 5 EEBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170873719 784858507 /nfs/dbraw/zinc/85/85/07/784858507.db2.gz ISZPKDNPEWODPF-BXKDBHETSA-N 1 0 347.293 2.177 20 5 EEBDRO Cc1c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818018877 785145659 /nfs/dbraw/zinc/14/56/59/785145659.db2.gz UZYDEKVBQCQNJC-INIZCTEOSA-N 1 0 348.359 2.088 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818590048 785300781 /nfs/dbraw/zinc/30/07/81/785300781.db2.gz MGJCJZZIMDIMTO-CEFVDNRUSA-N 1 0 343.786 2.433 20 5 EEBDRO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996429293 786395992 /nfs/dbraw/zinc/39/59/92/786395992.db2.gz OLBXBIGGXVCWAO-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000996429310 786396034 /nfs/dbraw/zinc/39/60/34/786396034.db2.gz OZSRMVCHOPKLJL-ZYHUDNBSSA-N 1 0 343.836 2.147 20 5 EEBDRO Cc1cc(NC/C=C\CNC(=O)CCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001107269644 786669781 /nfs/dbraw/zinc/66/97/81/786669781.db2.gz UYUWDRSTXWGCCI-WAYWQWQTSA-N 1 0 349.435 2.114 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001107471438 787332276 /nfs/dbraw/zinc/33/22/76/787332276.db2.gz SLDKJYDYQAAVJG-PLNGDYQASA-N 1 0 346.431 2.329 20 5 EEBDRO CC(C)(CCc1noc([C@]2(c3ccccc3)CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000823234265 787611900 /nfs/dbraw/zinc/61/19/00/787611900.db2.gz HXXKUWGSSCEISZ-QGZVFWFLSA-N 1 0 330.388 2.337 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(N2CC[NH2+]CC2)no1 ZINC000823320515 787671057 /nfs/dbraw/zinc/67/10/57/787671057.db2.gz CGOBRZXBBIXKNZ-JTQLQIEISA-N 1 0 335.389 2.241 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@](C)(O)c1ccccc1 ZINC000823606200 787829814 /nfs/dbraw/zinc/82/98/14/787829814.db2.gz QZIUSXDUAACVCW-QZTJIDSGSA-N 1 0 330.384 2.468 20 5 EEBDRO CC(C)(C)OCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156831692 805855104 /nfs/dbraw/zinc/85/51/04/805855104.db2.gz HOHBKLOXMHZHSD-UHFFFAOYSA-N 1 0 329.422 2.067 20 5 EEBDRO CCOC(=O)C(C)(CCCO[C@H](C)C[N+](C)(C)C)C(=O)OCC ZINC001224879687 788343207 /nfs/dbraw/zinc/34/32/07/788343207.db2.gz OAYFLDYUQUVFNM-CQSZACIVSA-N 1 0 332.461 2.010 20 5 EEBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000912815636 788391833 /nfs/dbraw/zinc/39/18/33/788391833.db2.gz OFTVUJMKAPBIKF-WFASDCNBSA-N 1 0 334.420 2.369 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843854301 788692003 /nfs/dbraw/zinc/69/20/03/788692003.db2.gz KHHNFWLYZKWQIU-UHFFFAOYSA-N 1 0 341.383 2.131 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923439421 789563441 /nfs/dbraw/zinc/56/34/41/789563441.db2.gz COFOQCVVYHUVFZ-GRYCIOLGSA-N 1 0 331.376 2.216 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845668673 789915703 /nfs/dbraw/zinc/91/57/03/789915703.db2.gz YFTPOGHVCXGGBH-ZDUSSCGKSA-N 1 0 344.371 2.422 20 5 EEBDRO CSCC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997521387 790158396 /nfs/dbraw/zinc/15/83/96/790158396.db2.gz VMVBPQPKHRYGTD-UHFFFAOYSA-N 1 0 343.474 2.348 20 5 EEBDRO [NH3+]Cc1ccc2nnn(-c3ncc([N+](=O)[O-])cc3C(F)(F)F)c2c1 ZINC001170023620 806040442 /nfs/dbraw/zinc/04/04/42/806040442.db2.gz IQHSZIJEFPHVLC-UHFFFAOYSA-N 1 0 338.249 2.201 20 5 EEBDRO CCCc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001147712886 791921665 /nfs/dbraw/zinc/92/16/65/791921665.db2.gz ZEQNTPKWMJLERV-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO Cc1cc(NCCNC(=O)C[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001094140354 795958247 /nfs/dbraw/zinc/95/82/47/795958247.db2.gz IDPUUZIAZKJVGJ-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO [NH3+]Cc1nccnc1Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001171447788 796382133 /nfs/dbraw/zinc/38/21/33/796382133.db2.gz NPYJLRHZMOIGKW-UHFFFAOYSA-N 1 0 329.238 2.486 20 5 EEBDRO O=C1NC[C@@]2(CCC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172922493 797153442 /nfs/dbraw/zinc/15/34/42/797153442.db2.gz YGTWFGAHXXOYFR-CRAIPNDOSA-N 1 0 345.399 2.417 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cnn(C)c2)c1F ZINC001173189744 797281718 /nfs/dbraw/zinc/28/17/18/797281718.db2.gz QNEKAQWZGZGRQY-NSHDSACASA-N 1 0 336.367 2.239 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001173225994 797309785 /nfs/dbraw/zinc/30/97/85/797309785.db2.gz GWROZBXPMIZOOE-MAUKXSAKSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001173238718 797324181 /nfs/dbraw/zinc/32/41/81/797324181.db2.gz WQCIAKYNPCERRK-CRAIPNDOSA-N 1 0 333.432 2.322 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001173238542 797324644 /nfs/dbraw/zinc/32/46/44/797324644.db2.gz VEDZVOPOPPXQSA-CJNGLKHVSA-N 1 0 328.372 2.469 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001095228680 797552938 /nfs/dbraw/zinc/55/29/38/797552938.db2.gz QJWYJHQKYDMXPT-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001095233881 797565815 /nfs/dbraw/zinc/56/58/15/797565815.db2.gz XCWJJIPLWNRNKF-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000917661192 798312351 /nfs/dbraw/zinc/31/23/51/798312351.db2.gz QNAANJFMROJGMQ-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000823484748 798737872 /nfs/dbraw/zinc/73/78/72/798737872.db2.gz XELQPFMDBMBOND-AAEUAGOBSA-N 1 0 337.424 2.073 20 5 EEBDRO CN(C(=O)C[NH2+]C(C)(C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000786174178 806716812 /nfs/dbraw/zinc/71/68/12/806716812.db2.gz QKRSOJLFYNTIHJ-UHFFFAOYSA-N 1 0 335.404 2.352 20 5 EEBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922589046 801416057 /nfs/dbraw/zinc/41/60/57/801416057.db2.gz GIKBXWQDWWYLQR-AWEZNQCLSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1ncn(-c2ncc3cccc([N+](=O)[O-])c3n2)c1CSCC[NH3+] ZINC001168788712 803335220 /nfs/dbraw/zinc/33/52/20/803335220.db2.gz VOQCKTIXEFPZLE-UHFFFAOYSA-N 1 0 344.400 2.224 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984277 803548176 /nfs/dbraw/zinc/54/81/76/803548176.db2.gz LPCHEFHRFIHCKR-ZOBORPQBSA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168969923 803554179 /nfs/dbraw/zinc/55/41/79/803554179.db2.gz GLLXLWPUEGUONA-RQJABVFESA-N 1 0 345.415 2.369 20 5 EEBDRO O=C1NCCCN1c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168997193 803563565 /nfs/dbraw/zinc/56/35/65/803563565.db2.gz BWAWFWQICDHUNI-LSDHHAIUSA-N 1 0 332.404 2.141 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCS(=O)(=O)CC2)C1 ZINC001168998103 803563871 /nfs/dbraw/zinc/56/38/71/803563871.db2.gz IFQJNFHLMJSMDP-CABCVRRESA-N 1 0 344.477 2.159 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001489 803566480 /nfs/dbraw/zinc/56/64/80/803566480.db2.gz GLLXLWPUEGUONA-REWJHTLYSA-N 1 0 345.415 2.369 20 5 EEBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001168990725 803573918 /nfs/dbraw/zinc/57/39/18/803573918.db2.gz DSOIEHWKMWRBLV-ZACQAIPSSA-N 1 0 333.432 2.305 20 5 EEBDRO O=C(NC1CCCC1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990385 803573952 /nfs/dbraw/zinc/57/39/52/803573952.db2.gz CEYAJECLFIQJCC-BBRMVZONSA-N 1 0 338.452 2.138 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)C1 ZINC001169021699 803588609 /nfs/dbraw/zinc/58/86/09/803588609.db2.gz PQOJAFAECSEDHV-IKGGRYGDSA-N 1 0 348.447 2.187 20 5 EEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1cnccn1 ZINC001169532707 803830771 /nfs/dbraw/zinc/83/07/71/803830771.db2.gz ILEUWGJTDUOAPG-GFCCVEGCSA-N 1 0 331.376 2.498 20 5 EEBDRO C[NH+](C)CCOc1cc(NCc2ncccc2O)ccc1[N+](=O)[O-] ZINC001169733022 804019442 /nfs/dbraw/zinc/01/94/42/804019442.db2.gz QXOMDVAFAFYXEK-UHFFFAOYSA-N 1 0 332.360 2.248 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000788545968 807568348 /nfs/dbraw/zinc/56/83/48/807568348.db2.gz BTMSIMCKJIRSTP-UHFFFAOYSA-N 1 0 334.420 2.433 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000791130888 809066833 /nfs/dbraw/zinc/06/68/33/809066833.db2.gz DNRFWOZCMOFTOE-JTQLQIEISA-N 1 0 343.786 2.388 20 5 EEBDRO COC(=O)c1ccc(C[NH3+])n1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170325970 809891415 /nfs/dbraw/zinc/89/14/15/809891415.db2.gz ZMGQORRGNOKPOE-LLVKDONJSA-N 1 0 347.371 2.454 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170329236 809893948 /nfs/dbraw/zinc/89/39/48/809893948.db2.gz YBHZRMSMMWFOAD-WBMJQRKESA-N 1 0 331.372 2.253 20 5 EEBDRO COc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1C ZINC001131037359 812314235 /nfs/dbraw/zinc/31/42/35/812314235.db2.gz QVQBJWNXNKKZIW-UHFFFAOYSA-N 1 0 343.383 2.431 20 5 EEBDRO CC(C)C[C@@H]([NH3+])CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001521444988 1119249779 /nfs/dbraw/zinc/24/97/79/1119249779.db2.gz BUMVEMIDNRFDRD-CQSZACIVSA-N 1 0 334.420 2.007 20 5 EEBDRO CCc1n[nH]c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000171804121 529466535 /nfs/dbraw/zinc/46/65/35/529466535.db2.gz HHANSAPPUFBBEI-UHFFFAOYSA-N 1 0 337.424 2.074 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175960736 282258076 /nfs/dbraw/zinc/25/80/76/282258076.db2.gz YDQGCGCDYLZHAL-ZBFHGGJFSA-N 1 0 334.420 2.309 20 5 EEBDRO C[NH+]1CCC(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000173424003 530047684 /nfs/dbraw/zinc/04/76/84/530047684.db2.gz AHQMTHUYLMBHRJ-UHFFFAOYSA-N 1 0 347.415 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066536416 215052572 /nfs/dbraw/zinc/05/25/72/215052572.db2.gz HQTNNFUBTUPCAJ-INIZCTEOSA-N 1 0 346.431 2.402 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000103451071 219300638 /nfs/dbraw/zinc/30/06/38/219300638.db2.gz WOEHCBJVIQGJGI-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184335521 235370492 /nfs/dbraw/zinc/37/04/92/235370492.db2.gz XTUAWXUJDLKQRE-UHFFFAOYSA-N 1 0 342.399 2.381 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC1([NH+](C)C)CCC1 ZINC000186982747 236086240 /nfs/dbraw/zinc/08/62/40/236086240.db2.gz LTYZJRGLLICDNF-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CCCN1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000421878980 240042296 /nfs/dbraw/zinc/04/22/96/240042296.db2.gz MRYATLDJKQCIKC-ZNMIVQPWSA-N 1 0 349.435 2.123 20 5 EEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000193482330 240182715 /nfs/dbraw/zinc/18/27/15/240182715.db2.gz XGQUQEQHLZIKEP-PRHODGIISA-N 1 0 342.193 2.228 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1SC ZINC000193574734 240219185 /nfs/dbraw/zinc/21/91/85/240219185.db2.gz ACGIBBJCJXFCGK-GXSJLCMTSA-N 1 0 339.417 2.196 20 5 EEBDRO C[NH2+]CCCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424033925 240804738 /nfs/dbraw/zinc/80/47/38/240804738.db2.gz PTETXKVOVRXODW-UHFFFAOYSA-N 1 0 334.401 2.400 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000426244737 241246882 /nfs/dbraw/zinc/24/68/82/241246882.db2.gz QSQSPKOWHFHAOI-HZPDHXFCSA-N 1 0 335.404 2.467 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109804596 219993789 /nfs/dbraw/zinc/99/37/89/219993789.db2.gz JXZGBXCGHYQKBE-GFCCVEGCSA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449711282 242610932 /nfs/dbraw/zinc/61/09/32/242610932.db2.gz CZFRUHAHCIDUCC-JBLDHEPKSA-N 1 0 341.795 2.259 20 5 EEBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450253488 242766302 /nfs/dbraw/zinc/76/63/02/242766302.db2.gz OIWCMJXWAWVBCX-ZIAGYGMSSA-N 1 0 333.388 2.349 20 5 EEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237882137 242837855 /nfs/dbraw/zinc/83/78/55/242837855.db2.gz WPYHXTCAFJYHSL-GFCCVEGCSA-N 1 0 332.404 2.289 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000451700630 243213961 /nfs/dbraw/zinc/21/39/61/243213961.db2.gz YBOCSNKENDVOPX-QLFBSQMISA-N 1 0 347.415 2.406 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451598223 243171630 /nfs/dbraw/zinc/17/16/30/243171630.db2.gz DVDCMADOJSBSFA-MAUKXSAKSA-N 1 0 347.415 2.228 20 5 EEBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000451714871 243223328 /nfs/dbraw/zinc/22/33/28/243223328.db2.gz WAYABYRSYXUZGR-HNNXBMFYSA-N 1 0 343.431 2.282 20 5 EEBDRO CC(C)[NH+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C ZINC000077678238 216952971 /nfs/dbraw/zinc/95/29/71/216952971.db2.gz PPQUWCJLOOTREV-UHFFFAOYSA-N 1 0 326.372 2.165 20 5 EEBDRO CC(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000459575988 245171454 /nfs/dbraw/zinc/17/14/54/245171454.db2.gz CZZTUZGMEWCNMK-UHFFFAOYSA-N 1 0 345.403 2.425 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738081 245229855 /nfs/dbraw/zinc/22/98/55/245229855.db2.gz AAGHEJOMTVFSER-ZIAGYGMSSA-N 1 0 333.388 2.389 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266065894 248072918 /nfs/dbraw/zinc/07/29/18/248072918.db2.gz WPCZVPARPGOKFC-QOWREQOWSA-N 1 0 333.388 2.325 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000266528396 248347067 /nfs/dbraw/zinc/34/70/67/248347067.db2.gz LEFPNSAJAPSSQG-FUHWJXTLSA-N 1 0 344.415 2.249 20 5 EEBDRO O=[N+]([O-])c1ccccc1CNc1ncnc2c1cnn2-c1ncccn1 ZINC000095434842 218377656 /nfs/dbraw/zinc/37/76/56/218377656.db2.gz AGDHLAOZGGXOLM-UHFFFAOYSA-N 1 0 348.326 2.126 20 5 EEBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000117339177 221054770 /nfs/dbraw/zinc/05/47/70/221054770.db2.gz ADLBOKNDWLYOKP-LLVKDONJSA-N 1 0 337.401 2.330 20 5 EEBDRO COc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271055937 256203012 /nfs/dbraw/zinc/20/30/12/256203012.db2.gz UUBMLKZGKRIRAH-GFCCVEGCSA-N 1 0 335.404 2.406 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000271137634 256211643 /nfs/dbraw/zinc/21/16/43/256211643.db2.gz NPWMZRNVXUKWDU-HIFRSBDPSA-N 1 0 337.420 2.365 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272936110 256250316 /nfs/dbraw/zinc/25/03/16/256250316.db2.gz GTUJBUMCIWYZTF-UHFFFAOYSA-N 1 0 334.420 2.123 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccnc1 ZINC000181625026 533346412 /nfs/dbraw/zinc/34/64/12/533346412.db2.gz JVNQOXKQUCUKMR-GFCCVEGCSA-N 1 0 326.356 2.230 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000119773726 142377149 /nfs/dbraw/zinc/37/71/49/142377149.db2.gz HWJGWGVOYTYQGT-OAHLLOKOSA-N 1 0 346.431 2.453 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000119977854 292250035 /nfs/dbraw/zinc/25/00/35/292250035.db2.gz GFZZAZSKVYHMHQ-GQCTYLIASA-N 1 0 347.350 2.144 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000191830516 152277278 /nfs/dbraw/zinc/27/72/78/152277278.db2.gz YOXIPKCQGZQWOF-DOMZBBRYSA-N 1 0 349.387 2.054 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249747202 160384933 /nfs/dbraw/zinc/38/49/33/160384933.db2.gz ODKBNDBWDZUCLX-HZSPNIEDSA-N 1 0 334.420 2.384 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000305439521 160516277 /nfs/dbraw/zinc/51/62/77/160516277.db2.gz LGXBVWBWAMVIBL-HNNXBMFYSA-N 1 0 335.404 2.467 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000090661695 159198434 /nfs/dbraw/zinc/19/84/34/159198434.db2.gz YTTPSDWOSVQAGC-ZDUSSCGKSA-N 1 0 338.404 2.433 20 5 EEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102487589 159266063 /nfs/dbraw/zinc/26/60/63/159266063.db2.gz QAHOPHDGJWILCY-ZDUSSCGKSA-N 1 0 339.440 2.153 20 5 EEBDRO C[C@H](c1ccccn1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245738423 160250385 /nfs/dbraw/zinc/25/03/85/160250385.db2.gz VDXXWTIJQRLGJR-UKRRQHHQSA-N 1 0 331.372 2.423 20 5 EEBDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000341600364 161000316 /nfs/dbraw/zinc/00/03/16/161000316.db2.gz VGEMULRSBFMYKT-GFCCVEGCSA-N 1 0 326.418 2.460 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000341686788 161005224 /nfs/dbraw/zinc/00/52/24/161005224.db2.gz WCDRCONVRZDUQW-CQSZACIVSA-N 1 0 326.418 2.084 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000342227103 161049028 /nfs/dbraw/zinc/04/90/28/161049028.db2.gz XUEWXTLFVQENNE-NRUITVPNSA-N 1 0 338.429 2.413 20 5 EEBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000342744348 161087479 /nfs/dbraw/zinc/08/74/79/161087479.db2.gz XZKVHNDXPZWIFD-OAHLLOKOSA-N 1 0 331.372 2.170 20 5 EEBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000343047589 161098143 /nfs/dbraw/zinc/09/81/43/161098143.db2.gz CXENMAKFSICTGV-UHFFFAOYSA-N 1 0 330.344 2.183 20 5 EEBDRO Cc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000343057148 161098887 /nfs/dbraw/zinc/09/88/87/161098887.db2.gz QWWXOQGKQFRWIV-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC[N@@H+]1C ZINC000343575273 161148124 /nfs/dbraw/zinc/14/81/24/161148124.db2.gz WSXBAMIZZIJFAP-CABZTGNLSA-N 1 0 343.330 2.409 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346107814 161357627 /nfs/dbraw/zinc/35/76/27/161357627.db2.gz RBZPNXBTIGWOBH-MLGOLLRUSA-N 1 0 335.379 2.362 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCSC1 ZINC000359739659 164163516 /nfs/dbraw/zinc/16/35/16/164163516.db2.gz LXQUMERTKFYFEJ-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000363525401 164905440 /nfs/dbraw/zinc/90/54/40/164905440.db2.gz NYYQCIFYTZGLPW-MRXNPFEDSA-N 1 0 347.415 2.451 20 5 EEBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368613085 166090793 /nfs/dbraw/zinc/09/07/93/166090793.db2.gz MIDNELHVVCUPSU-MJBXVCDLSA-N 1 0 333.388 2.193 20 5 EEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237879139 268664272 /nfs/dbraw/zinc/66/42/72/268664272.db2.gz HSNZQBLKHCSKDK-SFESLNEESA-N 1 0 329.400 2.400 20 5 EEBDRO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272768726 269018424 /nfs/dbraw/zinc/01/84/24/269018424.db2.gz PTOALRWLVCZAIC-CYBMUJFWSA-N 1 0 332.404 2.087 20 5 EEBDRO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000275600964 269129530 /nfs/dbraw/zinc/12/95/30/269129530.db2.gz SEFIOCNRBAARDE-NSHDSACASA-N 1 0 341.383 2.024 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000277726847 269175298 /nfs/dbraw/zinc/17/52/98/269175298.db2.gz OEUGVTXKOHGGER-CYBMUJFWSA-N 1 0 337.424 2.121 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278652185 269239293 /nfs/dbraw/zinc/23/92/93/269239293.db2.gz IHHBAHSALBJWPR-OLZOCXBDSA-N 1 0 333.388 2.363 20 5 EEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000278934028 269252737 /nfs/dbraw/zinc/25/27/37/269252737.db2.gz XUCQEFHJQZCZLB-KPEUIFRASA-N 1 0 334.416 2.436 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000280615941 269379614 /nfs/dbraw/zinc/37/96/14/269379614.db2.gz WGTFWHVXSXGYNS-GOSISDBHSA-N 1 0 347.415 2.375 20 5 EEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194241188 274069468 /nfs/dbraw/zinc/06/94/68/274069468.db2.gz JOPPOQFTCWJZIG-UHFFFAOYSA-N 1 0 343.387 2.075 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH3+])C2)cc1SC ZINC000237121027 274088417 /nfs/dbraw/zinc/08/84/17/274088417.db2.gz XJMWPXSRRCTEHW-SNVBAGLBSA-N 1 0 339.417 2.136 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237349933 274093153 /nfs/dbraw/zinc/09/31/53/274093153.db2.gz HWVMNIPGOCLJDZ-SNVBAGLBSA-N 1 0 334.401 2.304 20 5 EEBDRO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000269663624 274116773 /nfs/dbraw/zinc/11/67/73/274116773.db2.gz RJWDPTJZQCDEEA-DZGCQCFKSA-N 1 0 332.360 2.199 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000269894459 274119114 /nfs/dbraw/zinc/11/91/14/274119114.db2.gz CFRDROMBARUZHS-AEAUEXCSSA-N 1 0 345.399 2.469 20 5 EEBDRO C[N@H+]1CC=C(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000271793614 274153324 /nfs/dbraw/zinc/15/33/24/274153324.db2.gz JOLUKWBWWAKRIK-UHFFFAOYSA-N 1 0 327.182 2.426 20 5 EEBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271798940 274154250 /nfs/dbraw/zinc/15/42/50/274154250.db2.gz OSECETHPYWDQJK-AWEZNQCLSA-N 1 0 338.795 2.331 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272600411 274177098 /nfs/dbraw/zinc/17/70/98/274177098.db2.gz YLTXODAJMGBIEP-RISCZKNCSA-N 1 0 339.342 2.239 20 5 EEBDRO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272750024 274180720 /nfs/dbraw/zinc/18/07/20/274180720.db2.gz NJJQPFZTIMTLPG-CYBMUJFWSA-N 1 0 332.404 2.087 20 5 EEBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342419987 274213192 /nfs/dbraw/zinc/21/31/92/274213192.db2.gz RXWFQGLNMBOVGB-ZDUSSCGKSA-N 1 0 330.388 2.184 20 5 EEBDRO C[NH+](C)CCc1ccccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275735386 274261736 /nfs/dbraw/zinc/26/17/36/274261736.db2.gz ANERPJCEEWXXCV-UHFFFAOYSA-N 1 0 330.344 2.052 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NCC3(N4CCOCC4)CC3)ccc2c1 ZINC000277285517 274280149 /nfs/dbraw/zinc/28/01/49/274280149.db2.gz AKSHNYGCBMDGFV-UHFFFAOYSA-N 1 0 328.372 2.420 20 5 EEBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588736 274342825 /nfs/dbraw/zinc/34/28/25/274342825.db2.gz VHNSYPPRKAZYJN-DMRZNYOFSA-N 1 0 333.436 2.347 20 5 EEBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284978414 274659008 /nfs/dbraw/zinc/65/90/08/274659008.db2.gz AMOOYJUIKPDUKS-UHFFFAOYSA-N 1 0 329.360 2.209 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285487057 274740115 /nfs/dbraw/zinc/74/01/15/274740115.db2.gz IKQNKUYQIAYBNY-CPUCHLNUSA-N 1 0 346.431 2.480 20 5 EEBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285929034 274816283 /nfs/dbraw/zinc/81/62/83/274816283.db2.gz XOCUKLNRLNZSMG-UHFFFAOYSA-N 1 0 329.360 2.209 20 5 EEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291668958 275328120 /nfs/dbraw/zinc/32/81/20/275328120.db2.gz BDBVYLBDUGUYER-JSGCOSHPSA-N 1 0 343.387 2.019 20 5 EEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000292049184 275367806 /nfs/dbraw/zinc/36/78/06/275367806.db2.gz IYJNBCFTUCLAKV-SNVBAGLBSA-N 1 0 332.360 2.096 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406618 278267008 /nfs/dbraw/zinc/26/70/08/278267008.db2.gz SPOFFBHUIBRCAW-XQQFMLRXSA-N 1 0 335.408 2.478 20 5 EEBDRO Cc1cc(OCC(=O)N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281643767 292772321 /nfs/dbraw/zinc/77/23/21/292772321.db2.gz HMPICHQWEJLDRI-UHFFFAOYSA-N 1 0 335.404 2.226 20 5 EEBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000284023580 293017683 /nfs/dbraw/zinc/01/76/83/293017683.db2.gz IWIRKGVTVDAYJV-GUYCJALGSA-N 1 0 336.436 2.184 20 5 EEBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294079472 293365519 /nfs/dbraw/zinc/36/55/19/293365519.db2.gz LFMTYISNZJBNGE-UFBFGSQYSA-N 1 0 331.294 2.228 20 5 EEBDRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000294952404 293589758 /nfs/dbraw/zinc/58/97/58/293589758.db2.gz AXXDCXROAMNLMQ-LBPRGKRZSA-N 1 0 346.387 2.110 20 5 EEBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000296073538 293885731 /nfs/dbraw/zinc/88/57/31/293885731.db2.gz GQPRKUHYIPXUKD-JCURWCKSSA-N 1 0 345.399 2.471 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297021135 294130998 /nfs/dbraw/zinc/13/09/98/294130998.db2.gz GYQAVPVFGLDALH-CQSZACIVSA-N 1 0 335.404 2.231 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297279450 294200452 /nfs/dbraw/zinc/20/04/52/294200452.db2.gz WKWBCTVPNBPABG-UHFFFAOYSA-N 1 0 333.388 2.107 20 5 EEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238078282 295270815 /nfs/dbraw/zinc/27/08/15/295270815.db2.gz KALPJHHPHLSTNG-KCJUWKMLSA-N 1 0 331.294 2.471 20 5 EEBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447529712 295476260 /nfs/dbraw/zinc/47/62/60/295476260.db2.gz MHXKWNHGNKRGRG-GJZGRUSLSA-N 1 0 349.435 2.267 20 5 EEBDRO C[C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000178344276 298301170 /nfs/dbraw/zinc/30/11/70/298301170.db2.gz PCCDKIORHCRZBZ-KGLIPLIRSA-N 1 0 334.420 2.149 20 5 EEBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217688 303004119 /nfs/dbraw/zinc/00/41/19/303004119.db2.gz UIHDJZQKXNPBBG-CZUORRHYSA-N 1 0 329.404 2.007 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000307822471 311582418 /nfs/dbraw/zinc/58/24/18/311582418.db2.gz QJRPNVVXYNTEIT-MRVPVSSYSA-N 1 0 325.674 2.258 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000332440684 312007984 /nfs/dbraw/zinc/00/79/84/312007984.db2.gz ZSTCAIGMKIQEFY-ZFWWWQNUSA-N 1 0 346.431 2.250 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000334001503 312226278 /nfs/dbraw/zinc/22/62/78/312226278.db2.gz UFIKRGQEEXXUSC-JHJVBQTASA-N 1 0 335.404 2.397 20 5 EEBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCOC1 ZINC000355374582 312395253 /nfs/dbraw/zinc/39/52/53/312395253.db2.gz VJDQEBFLFMIJKR-ZENOOKHLSA-N 1 0 333.388 2.105 20 5 EEBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414525822 313036898 /nfs/dbraw/zinc/03/68/98/313036898.db2.gz NBPHOLOUPTZIHW-WBMJQRKESA-N 1 0 330.388 2.198 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)o2)cc1 ZINC000414550588 313039235 /nfs/dbraw/zinc/03/92/35/313039235.db2.gz ACNRHMCWAKAQQS-CJNGLKHVSA-N 1 0 332.356 2.030 20 5 EEBDRO CCOc1cc(NC(=O)NCCCC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414760765 313079147 /nfs/dbraw/zinc/07/91/47/313079147.db2.gz RHZWUZKPWNOTBE-UHFFFAOYSA-N 1 0 340.380 2.253 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415498017 313132811 /nfs/dbraw/zinc/13/28/11/313132811.db2.gz IFZNNMQWGWBGCO-QWHCGFSZSA-N 1 0 348.403 2.457 20 5 EEBDRO CO[C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000415576382 313147259 /nfs/dbraw/zinc/14/72/59/313147259.db2.gz GCDMCQKVWMRWRW-OLZOCXBDSA-N 1 0 336.392 2.182 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417720163 313575638 /nfs/dbraw/zinc/57/56/38/313575638.db2.gz RFNGPUDCBNVRLD-AWEZNQCLSA-N 1 0 349.435 2.004 20 5 EEBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000417723590 313576517 /nfs/dbraw/zinc/57/65/17/313576517.db2.gz WXSMQIKPNIHXMF-UHFFFAOYSA-N 1 0 334.420 2.311 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000420934775 314001559 /nfs/dbraw/zinc/00/15/59/314001559.db2.gz HFCHREDKOLBABJ-KWCYVHTRSA-N 1 0 335.404 2.181 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425070797 314328880 /nfs/dbraw/zinc/32/88/80/314328880.db2.gz XEQLYHWBECZIFO-GXTWGEPZSA-N 1 0 333.388 2.160 20 5 EEBDRO Cc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440403661 315128736 /nfs/dbraw/zinc/12/87/36/315128736.db2.gz DGXIXWJOCXXDEA-GFCCVEGCSA-N 1 0 349.412 2.401 20 5 EEBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000448726044 315382214 /nfs/dbraw/zinc/38/22/14/315382214.db2.gz RDLHIHFZMLEAFK-CABCVRRESA-N 1 0 345.399 2.301 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC000448744807 315384499 /nfs/dbraw/zinc/38/44/99/315384499.db2.gz COEFUBRASBDSAG-MRXNPFEDSA-N 1 0 343.387 2.055 20 5 EEBDRO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186352 315429046 /nfs/dbraw/zinc/42/90/46/315429046.db2.gz OTTNRWNVFZDMAT-GXTWGEPZSA-N 1 0 345.403 2.388 20 5 EEBDRO CCCOc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000515347739 316483091 /nfs/dbraw/zinc/48/30/91/316483091.db2.gz MPOILCGBAHNFQP-INIZCTEOSA-N 1 0 348.403 2.039 20 5 EEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171054 317042070 /nfs/dbraw/zinc/04/20/70/317042070.db2.gz PBNAGGYPGKTQJE-HNNXBMFYSA-N 1 0 338.477 2.257 20 5 EEBDRO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000547412745 318286128 /nfs/dbraw/zinc/28/61/28/318286128.db2.gz DBPZEVNINUJQKG-LLVKDONJSA-N 1 0 331.376 2.180 20 5 EEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548739448 318408856 /nfs/dbraw/zinc/40/88/56/318408856.db2.gz IYOUNIRYUZUXGJ-UHFFFAOYSA-N 1 0 347.375 2.291 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000558259782 318704622 /nfs/dbraw/zinc/70/46/22/318704622.db2.gz XFMBCNPOQMFFEW-QWHCGFSZSA-N 1 0 326.418 2.379 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCc1ccc(O)cc1 ZINC000572393754 319842046 /nfs/dbraw/zinc/84/20/46/319842046.db2.gz WHRTVLUORWQBSW-MRXNPFEDSA-N 1 0 346.383 2.263 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CC[NH2+]CC1 ZINC000573083521 319903154 /nfs/dbraw/zinc/90/31/54/319903154.db2.gz XCDWPIJIYRXRTA-JTQLQIEISA-N 1 0 341.795 2.131 20 5 EEBDRO CN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000576094003 320140078 /nfs/dbraw/zinc/14/00/78/320140078.db2.gz ISOBBKLEQLLGFQ-DLBZAZTESA-N 1 0 346.431 2.164 20 5 EEBDRO CCSCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576576370 320184612 /nfs/dbraw/zinc/18/46/12/320184612.db2.gz ACWSSQJWENKSQZ-GFCCVEGCSA-N 1 0 346.474 2.490 20 5 EEBDRO [NH3+][C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000577630638 320267281 /nfs/dbraw/zinc/26/72/81/320267281.db2.gz QZSUGVIPIQGZHL-OAHLLOKOSA-N 1 0 343.387 2.045 20 5 EEBDRO CCOc1cc(C(=O)NCCC[NH2+]C(C)C)c([N+](=O)[O-])cc1OC ZINC000579004475 323757476 /nfs/dbraw/zinc/75/74/76/323757476.db2.gz DMEPSOMDJVTXKY-UHFFFAOYSA-N 1 0 339.392 2.120 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336794082 465047422 /nfs/dbraw/zinc/04/74/22/465047422.db2.gz ZPBFGSFBDPRJFN-HOTGVXAUSA-N 1 0 341.415 2.287 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000339117466 465092324 /nfs/dbraw/zinc/09/23/24/465092324.db2.gz VJVLJIDRMINGKN-GFCCVEGCSA-N 1 0 331.372 2.454 20 5 EEBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000339115865 465092535 /nfs/dbraw/zinc/09/25/35/465092535.db2.gz GFZSFFTUPLAMOZ-CYBMUJFWSA-N 1 0 331.372 2.454 20 5 EEBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296264517 465135513 /nfs/dbraw/zinc/13/55/13/465135513.db2.gz YLYDTGXEIYGKOI-GDBMZVCRSA-N 1 0 338.404 2.081 20 5 EEBDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296373146 465173940 /nfs/dbraw/zinc/17/39/40/465173940.db2.gz IYQDAHHHBJVIIN-STQMWFEESA-N 1 0 332.404 2.439 20 5 EEBDRO COc1cc(C[NH2+][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000341533022 465218992 /nfs/dbraw/zinc/21/89/92/465218992.db2.gz PSMKGCQSGHVOIM-NXEZZACHSA-N 1 0 348.346 2.496 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356398588 465359893 /nfs/dbraw/zinc/35/98/93/465359893.db2.gz ZCJFNCYEZLOBJU-GMTAPVOTSA-N 1 0 341.795 2.224 20 5 EEBDRO CC[C@@H](CCO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152627109 462558796 /nfs/dbraw/zinc/55/87/96/462558796.db2.gz UDAMYCXTEJZYEB-ZDUSSCGKSA-N 1 0 332.404 2.494 20 5 EEBDRO CNc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074322297 462587134 /nfs/dbraw/zinc/58/71/34/462587134.db2.gz VULKMVMIFYPGMW-CQSZACIVSA-N 1 0 346.431 2.440 20 5 EEBDRO CC(=O)NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113317480 462589722 /nfs/dbraw/zinc/58/97/22/462589722.db2.gz TTWHMJNICKWRQJ-UHFFFAOYSA-N 1 0 334.401 2.334 20 5 EEBDRO CN(C)C(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113331745 462589751 /nfs/dbraw/zinc/58/97/51/462589751.db2.gz VBZOWYRCOXXOOQ-UHFFFAOYSA-N 1 0 334.401 2.286 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000063092793 462627634 /nfs/dbraw/zinc/62/76/34/462627634.db2.gz IAAKHDTWZHUCRG-AWEZNQCLSA-N 1 0 346.431 2.409 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075135255 462683970 /nfs/dbraw/zinc/68/39/70/462683970.db2.gz GSWLVZGMVLREQT-QGZVFWFLSA-N 1 0 349.431 2.047 20 5 EEBDRO CCc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064335392 462696303 /nfs/dbraw/zinc/69/63/03/462696303.db2.gz ZDPWWUSWZUJFJS-AWEZNQCLSA-N 1 0 345.403 2.221 20 5 EEBDRO Cc1nccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000130946033 462783869 /nfs/dbraw/zinc/78/38/69/462783869.db2.gz UCCLLABEZDSFOB-UHFFFAOYSA-N 1 0 339.311 2.442 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000090539491 462795715 /nfs/dbraw/zinc/79/57/15/462795715.db2.gz HKODYXKQQHLQAQ-UHFFFAOYSA-N 1 0 343.431 2.088 20 5 EEBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCCO1 ZINC000117342030 462799916 /nfs/dbraw/zinc/79/99/16/462799916.db2.gz NMWOBZDYVFWLHN-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047955123 462841424 /nfs/dbraw/zinc/84/14/24/462841424.db2.gz SDGXXBFZFZKQJA-MRXNPFEDSA-N 1 0 348.403 2.313 20 5 EEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155525189 462903304 /nfs/dbraw/zinc/90/33/04/462903304.db2.gz WLQRCGLAMJTNOQ-LRDDRELGSA-N 1 0 335.404 2.338 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156471192 463029126 /nfs/dbraw/zinc/02/91/26/463029126.db2.gz JZLZZHOZOVFXIM-UHFFFAOYSA-N 1 0 331.372 2.321 20 5 EEBDRO Cc1c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000156573243 463043269 /nfs/dbraw/zinc/04/32/69/463043269.db2.gz BZLUTOMIZXPPRN-UHFFFAOYSA-N 1 0 340.387 2.327 20 5 EEBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000121233329 463102149 /nfs/dbraw/zinc/10/21/49/463102149.db2.gz HGEDFCGQPOKTNM-UHFFFAOYSA-N 1 0 333.344 2.058 20 5 EEBDRO Cc1c(C[NH+]2CCC(N3CCCNC3=O)CC2)cccc1[N+](=O)[O-] ZINC000135440263 463155973 /nfs/dbraw/zinc/15/59/73/463155973.db2.gz GXPSWGGCNXLHLA-UHFFFAOYSA-N 1 0 332.404 2.283 20 5 EEBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000157959116 463189951 /nfs/dbraw/zinc/18/99/51/463189951.db2.gz RWFLBNGSVCGMII-VIFPVBQESA-N 1 0 347.293 2.099 20 5 EEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068924279 463191741 /nfs/dbraw/zinc/19/17/41/463191741.db2.gz WTYWOMPSFOPKNE-UHFFFAOYSA-N 1 0 345.403 2.416 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000121791114 463195987 /nfs/dbraw/zinc/19/59/87/463195987.db2.gz ZFRRRTQTOVLCKP-UHFFFAOYSA-N 1 0 341.433 2.283 20 5 EEBDRO [NH3+][C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000137595753 463296785 /nfs/dbraw/zinc/29/67/85/463296785.db2.gz OVDSFLWQILUHDE-INIZCTEOSA-N 1 0 335.407 2.008 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000030377391 463297179 /nfs/dbraw/zinc/29/71/79/463297179.db2.gz XCAPTUCKNQPHGL-GOSISDBHSA-N 1 0 327.384 2.450 20 5 EEBDRO COc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055400965 463316409 /nfs/dbraw/zinc/31/64/09/463316409.db2.gz WCILHPNGHZGDGN-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000032737404 463391795 /nfs/dbraw/zinc/39/17/95/463391795.db2.gz JKWQOSOFXMDOPH-KGLIPLIRSA-N 1 0 335.404 2.353 20 5 EEBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000103120124 463395526 /nfs/dbraw/zinc/39/55/26/463395526.db2.gz YJRJTHQYCUSDNU-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081128865 463398102 /nfs/dbraw/zinc/39/81/02/463398102.db2.gz APJNWSDOPPQRGV-CQSZACIVSA-N 1 0 328.372 2.269 20 5 EEBDRO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000057705557 463510696 /nfs/dbraw/zinc/51/06/96/463510696.db2.gz QPEAAWMUOCKDJR-SECBINFHSA-N 1 0 336.348 2.024 20 5 EEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000083025954 463529414 /nfs/dbraw/zinc/52/94/14/463529414.db2.gz AEEVJONSEAQYKN-GASCZTMLSA-N 1 0 349.431 2.143 20 5 EEBDRO CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000058115467 463541869 /nfs/dbraw/zinc/54/18/69/463541869.db2.gz HSDMFTXADOKZEI-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111292850 463674539 /nfs/dbraw/zinc/67/45/39/463674539.db2.gz CZONORKIKQDUJR-AWEZNQCLSA-N 1 0 333.388 2.060 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)cc1SC ZINC000286889887 463736260 /nfs/dbraw/zinc/73/62/60/463736260.db2.gz GENIQJZIDLUMNO-VIFPVBQESA-N 1 0 327.406 2.005 20 5 EEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000193875279 463753408 /nfs/dbraw/zinc/75/34/08/463753408.db2.gz MDTVIXGDFCIVPZ-SGMGOOAPSA-N 1 0 349.387 2.243 20 5 EEBDRO Cc1cc(NC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286989889 463764059 /nfs/dbraw/zinc/76/40/59/463764059.db2.gz DTMCWOYKMBTIBT-UKRRQHHQSA-N 1 0 348.403 2.230 20 5 EEBDRO CC(=O)c1cc(N[C@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000287096683 463798276 /nfs/dbraw/zinc/79/82/76/463798276.db2.gz ZAEFWMBOXDMTOQ-CYBMUJFWSA-N 1 0 334.420 2.235 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000276915586 463806313 /nfs/dbraw/zinc/80/63/13/463806313.db2.gz PVTVWKVJXQVPMD-QMTHXVAHSA-N 1 0 333.388 2.124 20 5 EEBDRO CNC(=O)c1ccc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000276924294 463806673 /nfs/dbraw/zinc/80/66/73/463806673.db2.gz ZDSNYMKWPGFAKN-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000269235806 463921569 /nfs/dbraw/zinc/92/15/69/463921569.db2.gz BKHDLJOVPDKEFV-NSHDSACASA-N 1 0 329.784 2.117 20 5 EEBDRO COc1cc(CCNC(=[NH2+])NC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000195522002 464071181 /nfs/dbraw/zinc/07/11/81/464071181.db2.gz ZFRMHOBKRJCBLW-UHFFFAOYSA-N 1 0 336.392 2.211 20 5 EEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000172413919 464075981 /nfs/dbraw/zinc/07/59/81/464075981.db2.gz YNPBFWPWQYHKBJ-UHFFFAOYSA-N 1 0 347.415 2.246 20 5 EEBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591013993 468392303 /nfs/dbraw/zinc/39/23/03/468392303.db2.gz GCCOQLJIBPQJGS-GOSISDBHSA-N 1 0 343.383 2.421 20 5 EEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759369 464182649 /nfs/dbraw/zinc/18/26/49/464182649.db2.gz KHAMURPMFUYONJ-LBPRGKRZSA-N 1 0 343.387 2.491 20 5 EEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188248377 464236130 /nfs/dbraw/zinc/23/61/30/464236130.db2.gz KAUHQIPRTIYBKR-UHFFFAOYSA-N 1 0 343.449 2.337 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)COC ZINC000271020804 464274689 /nfs/dbraw/zinc/27/46/89/464274689.db2.gz AJSKMNHMDGTVEL-OLZOCXBDSA-N 1 0 328.434 2.453 20 5 EEBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(CO)CO ZINC000292658602 464302135 /nfs/dbraw/zinc/30/21/35/464302135.db2.gz AEFSPRKVWSESIJ-UHFFFAOYSA-N 1 0 336.310 2.036 20 5 EEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237471312 464326102 /nfs/dbraw/zinc/32/61/02/464326102.db2.gz JTHGMBOZFFQHJV-PWSUYJOCSA-N 1 0 341.795 2.355 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C[NH3+])CC1 ZINC000237630060 464353725 /nfs/dbraw/zinc/35/37/25/464353725.db2.gz PEOIEOFETXTUFD-JTQLQIEISA-N 1 0 341.795 2.213 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174161725 464369352 /nfs/dbraw/zinc/36/93/52/464369352.db2.gz PAKCJYDPLLPWRH-UHFFFAOYSA-N 1 0 335.404 2.340 20 5 EEBDRO [NH3+]C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000237859930 464391781 /nfs/dbraw/zinc/39/17/81/464391781.db2.gz MBDFYRUTDYAZMQ-HNNXBMFYSA-N 1 0 334.420 2.421 20 5 EEBDRO C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189029662 464418417 /nfs/dbraw/zinc/41/84/17/464418417.db2.gz ZGCAOZFZNZXYOC-SNVBAGLBSA-N 1 0 327.381 2.500 20 5 EEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264776569 464461182 /nfs/dbraw/zinc/46/11/82/464461182.db2.gz PGMBKQJWIRIRFE-LBPRGKRZSA-N 1 0 337.424 2.257 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000281501241 464480666 /nfs/dbraw/zinc/48/06/66/464480666.db2.gz HXQNKPIDGLZJHY-UHFFFAOYSA-N 1 0 333.388 2.050 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272153533 464498187 /nfs/dbraw/zinc/49/81/87/464498187.db2.gz CZXYXADEQDFLQJ-BXUZGUMPSA-N 1 0 341.358 2.485 20 5 EEBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000175390238 464539136 /nfs/dbraw/zinc/53/91/36/464539136.db2.gz UJNNDSDXJQEAQA-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285384492 464545299 /nfs/dbraw/zinc/54/52/99/464545299.db2.gz WNTJDKDIKICKHK-PNPHSEOMSA-N 1 0 345.399 2.312 20 5 EEBDRO CCOC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000189815547 464553607 /nfs/dbraw/zinc/55/36/07/464553607.db2.gz HDBSRJYIZRAIMG-CVEARBPZSA-N 1 0 335.404 2.351 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272304097 464556304 /nfs/dbraw/zinc/55/63/04/464556304.db2.gz QWSCLZFNYYZQOP-RKDXNWHRSA-N 1 0 331.294 2.423 20 5 EEBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460589 464573547 /nfs/dbraw/zinc/57/35/47/464573547.db2.gz ZVJIKRYOQDXCTJ-IWEFOYFVSA-N 1 0 348.447 2.205 20 5 EEBDRO COc1cc(C[NH2+]CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272415623 464601059 /nfs/dbraw/zinc/60/10/59/464601059.db2.gz LJPFKRAWYZXXJG-UHFFFAOYSA-N 1 0 334.319 2.108 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000272504213 464636337 /nfs/dbraw/zinc/63/63/37/464636337.db2.gz ODXFQBZELXOFTM-SUMWQHHRSA-N 1 0 342.399 2.102 20 5 EEBDRO CC[C@@H](CSC)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182383803 464641306 /nfs/dbraw/zinc/64/13/06/464641306.db2.gz CILNNGYMHAGBKT-STQMWFEESA-N 1 0 328.434 2.408 20 5 EEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC([NH3+])C1 ZINC000294908280 464644214 /nfs/dbraw/zinc/64/42/14/464644214.db2.gz SBHFGFOCOQPDKN-UHFFFAOYSA-N 1 0 346.156 2.058 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000281944392 464645008 /nfs/dbraw/zinc/64/50/08/464645008.db2.gz JAJWYNMMJXIYFG-GOEBONIOSA-N 1 0 333.388 2.025 20 5 EEBDRO COc1ccc(NC(=O)CCN(C)Cc2ccon2)c([N+](=O)[O-])c1 ZINC000265839023 464705409 /nfs/dbraw/zinc/70/54/09/464705409.db2.gz WGIOKQUHVCLXDO-UHFFFAOYSA-N 1 0 334.332 2.052 20 5 EEBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000591155765 468417540 /nfs/dbraw/zinc/41/75/40/468417540.db2.gz TYJUFRVXAVBZBA-OLZOCXBDSA-N 1 0 326.397 2.145 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000286283527 464866557 /nfs/dbraw/zinc/86/65/57/464866557.db2.gz IGKUMRBFCHWCQL-SFHVURJKSA-N 1 0 339.399 2.487 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000298735840 465487562 /nfs/dbraw/zinc/48/75/62/465487562.db2.gz KNCSLKCNHYMJRQ-CYBMUJFWSA-N 1 0 334.420 2.123 20 5 EEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000282667391 464903376 /nfs/dbraw/zinc/90/33/76/464903376.db2.gz IXWUUIKEXRFOKP-PSTGCABASA-N 1 0 349.387 2.053 20 5 EEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000177379871 465000889 /nfs/dbraw/zinc/00/08/89/465000889.db2.gz XJPSINAVYCQWTL-UHFFFAOYSA-N 1 0 338.427 2.192 20 5 EEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000192942462 465018720 /nfs/dbraw/zinc/01/87/20/465018720.db2.gz ZZQMYGNQCPYFMJ-UHFFFAOYSA-N 1 0 349.840 2.211 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000593913177 468430651 /nfs/dbraw/zinc/43/06/51/468430651.db2.gz RYTQFZUTMQDYDT-RAIGVLPGSA-N 1 0 339.417 2.015 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593910735 468430704 /nfs/dbraw/zinc/43/07/04/468430704.db2.gz BQCHKRLNYKHIAA-SQWLQELKSA-N 1 0 347.415 2.262 20 5 EEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000359551116 465448873 /nfs/dbraw/zinc/44/88/73/465448873.db2.gz ZHNSVABFAOXTAG-NEPJUHHUSA-N 1 0 334.376 2.386 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000298837870 465520322 /nfs/dbraw/zinc/52/03/22/465520322.db2.gz FUIPNEXVMDXKTH-UHFFFAOYSA-N 1 0 328.372 2.271 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000352805653 465557345 /nfs/dbraw/zinc/55/73/45/465557345.db2.gz PVXSFIKBNCZBFW-ABAIWWIYSA-N 1 0 328.372 2.242 20 5 EEBDRO COC(=O)C1CC[NH+](CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000337867773 465640734 /nfs/dbraw/zinc/64/07/34/465640734.db2.gz LTNGXZUYZVWQKT-UHFFFAOYSA-N 1 0 339.367 2.421 20 5 EEBDRO CN(C(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519082 465647308 /nfs/dbraw/zinc/64/73/08/465647308.db2.gz AEURLKGZPYGWKD-STQMWFEESA-N 1 0 343.330 2.308 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371232649 465658536 /nfs/dbraw/zinc/65/85/36/465658536.db2.gz UANDWEZLESPFNQ-OAHLLOKOSA-N 1 0 348.359 2.107 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000554859408 468446770 /nfs/dbraw/zinc/44/67/70/468446770.db2.gz KFOLWBPYAANUHT-QWHCGFSZSA-N 1 0 335.408 2.045 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330598333 465723311 /nfs/dbraw/zinc/72/33/11/465723311.db2.gz SSSKGYUBDYRJMO-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000338053789 465783854 /nfs/dbraw/zinc/78/38/54/465783854.db2.gz XJEUHJSYNCRUQN-UKRRQHHQSA-N 1 0 334.420 2.261 20 5 EEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371469010 465816034 /nfs/dbraw/zinc/81/60/34/465816034.db2.gz CLHBQNGLCBVCMW-RDJZCZTQSA-N 1 0 330.388 2.416 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000331006347 465895619 /nfs/dbraw/zinc/89/56/19/465895619.db2.gz ZKTLSVSZBCQHHP-INIZCTEOSA-N 1 0 334.420 2.114 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000366813372 465950106 /nfs/dbraw/zinc/95/01/06/465950106.db2.gz VDDBLOVRBSIHJL-HNNXBMFYSA-N 1 0 347.415 2.369 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000353523864 465952196 /nfs/dbraw/zinc/95/21/96/465952196.db2.gz CIDQFVBLCCZPNH-KMFMINBZSA-N 1 0 343.431 2.490 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000569256394 468465227 /nfs/dbraw/zinc/46/52/27/468465227.db2.gz NKDHIGJQDWLJFL-INIZCTEOSA-N 1 0 349.431 2.290 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000349218205 466024018 /nfs/dbraw/zinc/02/40/18/466024018.db2.gz SUSVNASYAFNAPL-OAHLLOKOSA-N 1 0 349.431 2.476 20 5 EEBDRO C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000346274175 466049317 /nfs/dbraw/zinc/04/93/17/466049317.db2.gz SBOPVTPHKSNZCG-YVEFUNNKSA-N 1 0 335.379 2.392 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361658305 466184404 /nfs/dbraw/zinc/18/44/04/466184404.db2.gz FKTQPQXOSPVKOX-IUODEOHRSA-N 1 0 330.388 2.056 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353962060 466286014 /nfs/dbraw/zinc/28/60/14/466286014.db2.gz QQQSZLDIKWTZBY-GFCCVEGCSA-N 1 0 345.403 2.065 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000331976191 466330036 /nfs/dbraw/zinc/33/00/36/466330036.db2.gz KKKUZQMWMKERTD-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305236265 466389132 /nfs/dbraw/zinc/38/91/32/466389132.db2.gz XKZXTKOZDPQNPH-QWHCGFSZSA-N 1 0 349.387 2.128 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305240331 466390913 /nfs/dbraw/zinc/39/09/13/466390913.db2.gz QYIGDZYPNNIWDM-GOSISDBHSA-N 1 0 328.368 2.397 20 5 EEBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000305465263 466410851 /nfs/dbraw/zinc/41/08/51/466410851.db2.gz WQWOHNNFXYOHIQ-SMDDNHRTSA-N 1 0 332.360 2.238 20 5 EEBDRO COc1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000332229943 466458336 /nfs/dbraw/zinc/45/83/36/466458336.db2.gz PSSYHEOBRIUVQJ-JSGCOSHPSA-N 1 0 333.388 2.160 20 5 EEBDRO C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000332237519 466462453 /nfs/dbraw/zinc/46/24/53/466462453.db2.gz HKWRAPCIHHVSRG-MQIPJXDCSA-N 1 0 335.379 2.390 20 5 EEBDRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305786445 466464379 /nfs/dbraw/zinc/46/43/79/466464379.db2.gz BCTLVVMEWNKJCU-JQFCIGGWSA-N 1 0 347.415 2.183 20 5 EEBDRO CCC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000315318538 466558759 /nfs/dbraw/zinc/55/87/59/466558759.db2.gz UBVKJBOEYQBUSO-SWLSCSKDSA-N 1 0 326.418 2.460 20 5 EEBDRO CC(C)(NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000591675140 468501396 /nfs/dbraw/zinc/50/13/96/468501396.db2.gz VTSKUSIGZUXFJP-GFCCVEGCSA-N 1 0 327.331 2.191 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363938022 466661977 /nfs/dbraw/zinc/66/19/77/466661977.db2.gz NCHGCHPTDKWVNS-QWHCGFSZSA-N 1 0 348.359 2.168 20 5 EEBDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358952 466726510 /nfs/dbraw/zinc/72/65/10/466726510.db2.gz CMWWYUKRLQPDBV-IJEWVQPXSA-N 1 0 329.404 2.277 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+](C)C)cc1SC ZINC000411104799 466766743 /nfs/dbraw/zinc/76/67/43/466766743.db2.gz YMSLBMHHOWVVBF-UHFFFAOYSA-N 1 0 341.433 2.395 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423548869 466771758 /nfs/dbraw/zinc/77/17/58/466771758.db2.gz FDGWFVUJGQFTLP-UBHSHLNASA-N 1 0 333.388 2.111 20 5 EEBDRO C[C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000423728717 466815398 /nfs/dbraw/zinc/81/53/98/466815398.db2.gz UAERHBAXSQZLJT-QWRGUYRKSA-N 1 0 331.376 2.435 20 5 EEBDRO O=C([C@H]1CC12CC[NH2+]CC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423731292 466816496 /nfs/dbraw/zinc/81/64/96/466816496.db2.gz XPHSTBBLWMUNJX-MRXNPFEDSA-N 1 0 329.400 2.476 20 5 EEBDRO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365510659 466842286 /nfs/dbraw/zinc/84/22/86/466842286.db2.gz LHRQPFLLOOQUNB-AWEZNQCLSA-N 1 0 349.435 2.219 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411755752 466893660 /nfs/dbraw/zinc/89/36/60/466893660.db2.gz HQNJMSTYIDLVQM-UHFFFAOYSA-N 1 0 348.447 2.020 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423944909 466923559 /nfs/dbraw/zinc/92/35/59/466923559.db2.gz SLXZVRRUIVWXAT-HNNXBMFYSA-N 1 0 332.404 2.416 20 5 EEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411965638 466950371 /nfs/dbraw/zinc/95/03/71/466950371.db2.gz KIVOHVLHZVCZMT-SFHVURJKSA-N 1 0 325.368 2.224 20 5 EEBDRO O=C1NCCN1[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370707973 466974144 /nfs/dbraw/zinc/97/41/44/466974144.db2.gz KZHRVIRTGKIFLJ-LBPRGKRZSA-N 1 0 338.795 2.238 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000424109325 466981013 /nfs/dbraw/zinc/98/10/13/466981013.db2.gz VNFRCNYAMUBYNU-UHFFFAOYSA-N 1 0 336.392 2.169 20 5 EEBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998880 467016677 /nfs/dbraw/zinc/01/66/77/467016677.db2.gz VPDCFEHECGBVFF-LBPRGKRZSA-N 1 0 328.800 2.073 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370901149 467037735 /nfs/dbraw/zinc/03/77/35/467037735.db2.gz WAXKVIQNDXNNRM-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378236329 467237499 /nfs/dbraw/zinc/23/74/99/467237499.db2.gz XLRLFUMDTGQTNY-AWEZNQCLSA-N 1 0 343.387 2.075 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000413438765 467243120 /nfs/dbraw/zinc/24/31/20/467243120.db2.gz MHYSRWIXHNPYTK-GFCCVEGCSA-N 1 0 341.433 2.142 20 5 EEBDRO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000413460866 467247126 /nfs/dbraw/zinc/24/71/26/467247126.db2.gz TVPNIPPBUUKIJY-LLVKDONJSA-N 1 0 326.784 2.142 20 5 EEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420258779 467331689 /nfs/dbraw/zinc/33/16/89/467331689.db2.gz LOQBGFMKLHKSBL-GJZGRUSLSA-N 1 0 339.399 2.406 20 5 EEBDRO COc1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000429549899 467344663 /nfs/dbraw/zinc/34/46/63/467344663.db2.gz VRDNSKNRJNVFEJ-UHFFFAOYSA-N 1 0 335.404 2.342 20 5 EEBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452368209 467360719 /nfs/dbraw/zinc/36/07/19/467360719.db2.gz QMGWYXZUNYZHKC-HNNXBMFYSA-N 1 0 349.431 2.295 20 5 EEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420363809 467378593 /nfs/dbraw/zinc/37/85/93/467378593.db2.gz JUYWJEHHCJCJGT-UEKVPHQBSA-N 1 0 331.376 2.121 20 5 EEBDRO CC(C)([NH3+])c1noc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000420369051 467380716 /nfs/dbraw/zinc/38/07/16/467380716.db2.gz XKLXQHCGTWBZBC-UHFFFAOYSA-N 1 0 331.376 2.336 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420401605 467396194 /nfs/dbraw/zinc/39/61/94/467396194.db2.gz LEEFKIWTUMMEGY-AWEZNQCLSA-N 1 0 340.383 2.232 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420403713 467397174 /nfs/dbraw/zinc/39/71/74/467397174.db2.gz NMCHREMDERKQNP-GXTWGEPZSA-N 1 0 340.383 2.312 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434444573 467398646 /nfs/dbraw/zinc/39/86/46/467398646.db2.gz DHGLXQPBLOHRCN-OAHLLOKOSA-N 1 0 335.379 2.410 20 5 EEBDRO COC[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]1 ZINC000414947085 467456695 /nfs/dbraw/zinc/45/66/95/467456695.db2.gz UKIADUMJWQZEKG-OAHLLOKOSA-N 1 0 345.346 2.054 20 5 EEBDRO COc1cc(CN2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435377733 467464247 /nfs/dbraw/zinc/46/42/47/467464247.db2.gz AJAPHXRNHGXOFL-UHFFFAOYSA-N 1 0 345.346 2.043 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405339449 467480772 /nfs/dbraw/zinc/48/07/72/467480772.db2.gz HDFMFDDEIOPOQB-BXUZGUMPSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448980856 467610164 /nfs/dbraw/zinc/61/01/64/467610164.db2.gz QUNYNCIQZNTPGG-GFCCVEGCSA-N 1 0 343.387 2.151 20 5 EEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000449446347 467646990 /nfs/dbraw/zinc/64/69/90/467646990.db2.gz PMHPDAJEDCIPPS-GFCCVEGCSA-N 1 0 340.401 2.084 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c2c(c1)COCO2 ZINC000449558508 467661806 /nfs/dbraw/zinc/66/18/06/467661806.db2.gz WLLPUTFPXJUNIT-IIYDPXPESA-N 1 0 348.399 2.444 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449692902 467691976 /nfs/dbraw/zinc/69/19/76/467691976.db2.gz BUJXRIKFMCGZCA-INIZCTEOSA-N 1 0 346.431 2.313 20 5 EEBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449706888 467696958 /nfs/dbraw/zinc/69/69/58/467696958.db2.gz PBOMLXFPDPZJCL-ZDUSSCGKSA-N 1 0 335.404 2.001 20 5 EEBDRO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457095191 467751600 /nfs/dbraw/zinc/75/16/00/467751600.db2.gz PWQXVGPPDOFVKI-AWEZNQCLSA-N 1 0 335.404 2.223 20 5 EEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532202915 468102767 /nfs/dbraw/zinc/10/27/67/468102767.db2.gz GQGTWMGSGGZRIF-ZDUSSCGKSA-N 1 0 343.449 2.225 20 5 EEBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000567689368 468185132 /nfs/dbraw/zinc/18/51/32/468185132.db2.gz IYHYPMKFTNTOJT-INIZCTEOSA-N 1 0 330.384 2.475 20 5 EEBDRO Cc1ccc(OCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000550084899 468206659 /nfs/dbraw/zinc/20/66/59/468206659.db2.gz CPFVHRNJUPTSOZ-INIZCTEOSA-N 1 0 346.383 2.312 20 5 EEBDRO CC(C)([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000590019607 468206772 /nfs/dbraw/zinc/20/67/72/468206772.db2.gz ZCGQUNBNWBZMSD-LBPRGKRZSA-N 1 0 326.418 2.244 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000550618725 468220132 /nfs/dbraw/zinc/22/01/32/468220132.db2.gz GDQRXQHCGKAJMM-LBPRGKRZSA-N 1 0 330.388 2.077 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000590536009 468268380 /nfs/dbraw/zinc/26/83/80/468268380.db2.gz DLOOKYQXGFVIKJ-ZIAGYGMSSA-N 1 0 335.404 2.271 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594420427 468579174 /nfs/dbraw/zinc/57/91/74/468579174.db2.gz TUYFNDSAPFPLDG-HUUCEWRRSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594437047 468586769 /nfs/dbraw/zinc/58/67/69/468586769.db2.gz SOGKWPDVWJKCEZ-MAUKXSAKSA-N 1 0 329.400 2.476 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597532371 468589894 /nfs/dbraw/zinc/58/98/94/468589894.db2.gz JGAQPAMKJNIAAZ-VXGBXAGGSA-N 1 0 343.330 2.409 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000597704261 468644747 /nfs/dbraw/zinc/64/47/47/468644747.db2.gz QKDFTNMMOOAPNC-UHFFFAOYSA-N 1 0 349.435 2.353 20 5 EEBDRO CNc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253922 468665473 /nfs/dbraw/zinc/66/54/73/468665473.db2.gz QHLBMNOXAREPEM-GJZGRUSLSA-N 1 0 346.431 2.488 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2cc(-c3nc([C@H]4CCC[NH2+]4)no3)n[nH]2)cc1 ZINC000592356357 468682693 /nfs/dbraw/zinc/68/26/93/468682693.db2.gz OGGXMHLBASIWBT-LLVKDONJSA-N 1 0 326.316 2.459 20 5 EEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595023850 468744507 /nfs/dbraw/zinc/74/45/07/468744507.db2.gz YYWZGXYMAGBXEE-NWDGAFQWSA-N 1 0 336.392 2.058 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571402674 468783570 /nfs/dbraw/zinc/78/35/70/468783570.db2.gz WVHASQXKNSOREN-PBHICJAKSA-N 1 0 347.415 2.262 20 5 EEBDRO CNc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595221860 468787985 /nfs/dbraw/zinc/78/79/85/468787985.db2.gz HJJRJYHSOVNUEU-HNNXBMFYSA-N 1 0 346.431 2.488 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258669 468795356 /nfs/dbraw/zinc/79/53/56/468795356.db2.gz VUHLMUFJCUSYPW-QGZVFWFLSA-N 1 0 341.367 2.437 20 5 EEBDRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cn3C)C2)cc1 ZINC000601246404 468796470 /nfs/dbraw/zinc/79/64/70/468796470.db2.gz SGPMFIRVTYYGTA-HNNXBMFYSA-N 1 0 342.399 2.246 20 5 EEBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000598220438 468796967 /nfs/dbraw/zinc/79/69/67/468796967.db2.gz PDRPLABTFDOQBO-CYBMUJFWSA-N 1 0 349.435 2.050 20 5 EEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221921 468798127 /nfs/dbraw/zinc/79/81/27/468798127.db2.gz YOFIWVQHPMXSGD-CQSZACIVSA-N 1 0 347.415 2.497 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1SC ZINC000584226489 468824107 /nfs/dbraw/zinc/82/41/07/468824107.db2.gz LPAJAIHHVPXDQS-OAHLLOKOSA-N 1 0 339.417 2.183 20 5 EEBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000584350770 468852789 /nfs/dbraw/zinc/85/27/89/468852789.db2.gz BSZBHBQHELFCDS-NVXWUHKLSA-N 1 0 335.404 2.454 20 5 EEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000560907177 468854153 /nfs/dbraw/zinc/85/41/53/468854153.db2.gz DOPNXJDMUINTDW-CHWSQXEVSA-N 1 0 345.403 2.307 20 5 EEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593058798 468855607 /nfs/dbraw/zinc/85/56/07/468855607.db2.gz OTYUGGPJHRUSHZ-FVQBIDKESA-N 1 0 338.404 2.224 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000595470855 468866318 /nfs/dbraw/zinc/86/63/18/468866318.db2.gz UAOSNNRQTLARAC-INIZCTEOSA-N 1 0 349.431 2.160 20 5 EEBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000571996869 468869426 /nfs/dbraw/zinc/86/94/26/468869426.db2.gz IXBBCDAEZQKYHP-YOEHRIQHSA-N 1 0 347.415 2.449 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593187831 468898792 /nfs/dbraw/zinc/89/87/92/468898792.db2.gz UNIJBQJBYDYJGG-MGPQQGTHSA-N 1 0 334.420 2.336 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598576630 468920374 /nfs/dbraw/zinc/92/03/74/468920374.db2.gz YCKYBKUMZVYMJE-AWEZNQCLSA-N 1 0 325.796 2.247 20 5 EEBDRO COC1CC[NH+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000610571657 469005790 /nfs/dbraw/zinc/00/57/90/469005790.db2.gz PPFMBVSBPVDDMI-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CC(C)(C)Oc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593504608 469008595 /nfs/dbraw/zinc/00/85/95/469008595.db2.gz QTUPEKYWWDXRFB-CQSZACIVSA-N 1 0 335.404 2.027 20 5 EEBDRO COc1cc(Nc2cnn(CC[NH+](C)C)c2)c([N+](=O)[O-])cc1OC ZINC000593509414 469010872 /nfs/dbraw/zinc/01/08/72/469010872.db2.gz KVWKMXXCPDFFTC-UHFFFAOYSA-N 1 0 335.364 2.114 20 5 EEBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602687088 469011547 /nfs/dbraw/zinc/01/15/47/469011547.db2.gz VRUACDHEUUMUJQ-GOEBONIOSA-N 1 0 330.388 2.381 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000602797657 469082025 /nfs/dbraw/zinc/08/20/25/469082025.db2.gz NPEUSLGDMKTSKT-ZBFHGGJFSA-N 1 0 333.436 2.048 20 5 EEBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000602807627 469089942 /nfs/dbraw/zinc/08/99/42/469089942.db2.gz ZCYMFQGBZRLNML-CQSZACIVSA-N 1 0 340.330 2.355 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595960346 469097547 /nfs/dbraw/zinc/09/75/47/469097547.db2.gz CTOOAMZEFMFHQX-UHFFFAOYSA-N 1 0 329.784 2.213 20 5 EEBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000611140048 469172304 /nfs/dbraw/zinc/17/23/04/469172304.db2.gz PILRJWGSFSUSJS-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2)CC1 ZINC000611178065 469183072 /nfs/dbraw/zinc/18/30/72/469183072.db2.gz QJZMVTFAKSASDD-ZDUSSCGKSA-N 1 0 333.388 2.424 20 5 EEBDRO COc1ccc(C[C@](C)([NH3+])CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596174206 469186962 /nfs/dbraw/zinc/18/69/62/469186962.db2.gz CGNAQYWHEJNZKH-INIZCTEOSA-N 1 0 332.360 2.076 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000602954321 469187152 /nfs/dbraw/zinc/18/71/52/469187152.db2.gz VMZOLFJCOWXXNS-UHFFFAOYSA-N 1 0 335.408 2.058 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573795813 469207136 /nfs/dbraw/zinc/20/71/36/469207136.db2.gz XUJYZDIHQWGTFY-CHWSQXEVSA-N 1 0 332.404 2.138 20 5 EEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cnnn2)c1 ZINC000611337343 469230285 /nfs/dbraw/zinc/23/02/85/469230285.db2.gz WRLVUNZOPDHGPM-ZDUSSCGKSA-N 1 0 338.371 2.464 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602428461 469311563 /nfs/dbraw/zinc/31/15/63/469311563.db2.gz NXZAAOFUBPRORB-UHFFFAOYSA-N 1 0 344.209 2.475 20 5 EEBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602516913 469346970 /nfs/dbraw/zinc/34/69/70/469346970.db2.gz SZICKFZVEATHPJ-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000602542088 469354694 /nfs/dbraw/zinc/35/46/94/469354694.db2.gz SQCUNSKRSLYJPK-KCJUWKMLSA-N 1 0 349.284 2.333 20 5 EEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@]12CCCO2 ZINC000602551707 469358612 /nfs/dbraw/zinc/35/86/12/469358612.db2.gz QKCDHLCGIFBINE-GVDBMIGSSA-N 1 0 336.388 2.420 20 5 EEBDRO CO[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602583951 469371177 /nfs/dbraw/zinc/37/11/77/469371177.db2.gz WGUCACDXXPFPAL-CJNGLKHVSA-N 1 0 334.420 2.363 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407573 469383043 /nfs/dbraw/zinc/38/30/43/469383043.db2.gz GPKPLTDEGIWCAY-UHFFFAOYSA-N 1 0 340.811 2.120 20 5 EEBDRO Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424487 469391205 /nfs/dbraw/zinc/39/12/05/469391205.db2.gz YFBKUKUTLWWKHI-QGZVFWFLSA-N 1 0 348.447 2.112 20 5 EEBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000603589979 469414771 /nfs/dbraw/zinc/41/47/71/469414771.db2.gz YNMSISNXJQWCRJ-UHFFFAOYSA-N 1 0 332.360 2.256 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000604532751 469488173 /nfs/dbraw/zinc/48/81/73/469488173.db2.gz BSLQCBFLPWJQES-ZIAGYGMSSA-N 1 0 333.388 2.082 20 5 EEBDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000608860460 469883880 /nfs/dbraw/zinc/88/38/80/469883880.db2.gz NAIIACAXOAUSDU-LJQANCHMSA-N 1 0 343.427 2.220 20 5 EEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609347923 469921910 /nfs/dbraw/zinc/92/19/10/469921910.db2.gz GMDZCGKAXMDZBS-CYBMUJFWSA-N 1 0 343.387 2.172 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609556966 469939717 /nfs/dbraw/zinc/93/97/17/469939717.db2.gz HEUSAPYFGFWADE-HNNXBMFYSA-N 1 0 334.420 2.309 20 5 EEBDRO C[NH+](C)CC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000610273764 469998576 /nfs/dbraw/zinc/99/85/76/469998576.db2.gz GJXFJMSAIXSHST-UHFFFAOYSA-N 1 0 346.431 2.265 20 5 EEBDRO CC(C)([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000429248281 485694078 /nfs/dbraw/zinc/69/40/78/485694078.db2.gz YULNQUMCRGOQNS-UHFFFAOYSA-N 1 0 326.418 2.244 20 5 EEBDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000130659830 533811544 /nfs/dbraw/zinc/81/15/44/533811544.db2.gz ZEUPXWIQBJABCP-UHFFFAOYSA-N 1 0 335.404 2.140 20 5 EEBDRO COC(=O)c1cnc(NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000190169598 534306910 /nfs/dbraw/zinc/30/69/10/534306910.db2.gz ILBVQDCABBJNKE-UHFFFAOYSA-N 1 0 344.371 2.320 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000132829142 534325589 /nfs/dbraw/zinc/32/55/89/534325589.db2.gz SLGWDQRNDVVTOC-GDBMZVCRSA-N 1 0 334.420 2.478 20 5 EEBDRO [NH3+]CC1(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000184142243 534588264 /nfs/dbraw/zinc/58/82/64/534588264.db2.gz ZSESWDGZRXGUIR-UHFFFAOYSA-N 1 0 334.420 2.422 20 5 EEBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000159203704 534660105 /nfs/dbraw/zinc/66/01/05/534660105.db2.gz XEXVFMBVFFFXKH-UHFFFAOYSA-N 1 0 343.387 2.234 20 5 EEBDRO CC(C)c1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000191895007 528189205 /nfs/dbraw/zinc/18/92/05/528189205.db2.gz KPWDRGJTPGXZKS-MRXNPFEDSA-N 1 0 344.415 2.334 20 5 EEBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191853518 528993949 /nfs/dbraw/zinc/99/39/49/528993949.db2.gz WDVMINXWQZMRDV-CQSZACIVSA-N 1 0 335.360 2.430 20 5 EEBDRO CCC1(CC)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)[C@@H]1OC ZINC000191399023 529093263 /nfs/dbraw/zinc/09/32/63/529093263.db2.gz VJEIVHASTCTOQL-RCBQFDQVSA-N 1 0 337.420 2.186 20 5 EEBDRO C[NH+](C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193888020 535889980 /nfs/dbraw/zinc/88/99/80/535889980.db2.gz NUSJRWPPFHTAQB-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000424042563 536948967 /nfs/dbraw/zinc/94/89/67/536948967.db2.gz PWPWURWSBJFRMQ-MRXNPFEDSA-N 1 0 347.415 2.454 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000733159393 577206532 /nfs/dbraw/zinc/20/65/32/577206532.db2.gz PXDFNFFIMSRGDV-INIZCTEOSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000773063073 577313432 /nfs/dbraw/zinc/31/34/32/577313432.db2.gz AGLKZNSJOFKATF-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000776270988 577456170 /nfs/dbraw/zinc/45/61/70/577456170.db2.gz GVBAKQIANQJXOP-OAHLLOKOSA-N 1 0 330.340 2.189 20 5 EEBDRO COCC[N@@H+](Cc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274977 577456290 /nfs/dbraw/zinc/45/62/90/577456290.db2.gz FBIOMIRFVVGPRS-KRWDZBQOSA-N 1 0 331.372 2.172 20 5 EEBDRO CCCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574562 577462868 /nfs/dbraw/zinc/46/28/68/577462868.db2.gz JCPQFTYHQKLJFC-QGZVFWFLSA-N 1 0 349.431 2.257 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)CCc2ccccc2)cc1 ZINC000776581302 577463146 /nfs/dbraw/zinc/46/31/46/577463146.db2.gz BVABMXUSGCQUMV-GOSISDBHSA-N 1 0 330.384 2.165 20 5 EEBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000777009576 577470924 /nfs/dbraw/zinc/47/09/24/577470924.db2.gz JAJWCPZJVHAGMB-BXKDBHETSA-N 1 0 349.309 2.479 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777735367 577485544 /nfs/dbraw/zinc/48/55/44/577485544.db2.gz JGCJEHLSMPLUDY-MSOLQXFVSA-N 1 0 346.358 2.361 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccco1 ZINC000764772879 577488258 /nfs/dbraw/zinc/48/82/58/577488258.db2.gz LTWBGHHCDZSUIN-BXUZGUMPSA-N 1 0 333.344 2.228 20 5 EEBDRO COCCOC[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765042315 577493439 /nfs/dbraw/zinc/49/34/39/577493439.db2.gz VZHCRNNNVLEJDR-CQSZACIVSA-N 1 0 348.403 2.195 20 5 EEBDRO C[S@](=O)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000754159359 577801429 /nfs/dbraw/zinc/80/14/29/577801429.db2.gz MFGGIESSBBRGFM-UAVUOLJFSA-N 1 0 348.424 2.338 20 5 EEBDRO C[S@](=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754341979 577804780 /nfs/dbraw/zinc/80/47/80/577804780.db2.gz OSJNEWAQEGFJSM-MWTRTKDXSA-N 1 0 334.397 2.155 20 5 EEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755168230 577821073 /nfs/dbraw/zinc/82/10/73/577821073.db2.gz GCGCFHOHOOQKPY-XPTSAGLGSA-N 1 0 327.768 2.344 20 5 EEBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000745695521 577917087 /nfs/dbraw/zinc/91/70/87/577917087.db2.gz BXZGQYSFWBYPJV-CQSZACIVSA-N 1 0 334.420 2.311 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000741723724 578123106 /nfs/dbraw/zinc/12/31/06/578123106.db2.gz ZAMIVCCFCIPNAM-ZIAGYGMSSA-N 1 0 346.431 2.408 20 5 EEBDRO CCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001020945831 675598550 /nfs/dbraw/zinc/59/85/50/675598550.db2.gz XJVAFDPRPBOSLR-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000891386255 676538022 /nfs/dbraw/zinc/53/80/22/676538022.db2.gz VQFOHDAIIATEDO-ZYHUDNBSSA-N 1 0 342.346 2.200 20 5 EEBDRO Cc1ccncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021923336 676550355 /nfs/dbraw/zinc/55/03/55/676550355.db2.gz WGRCKYSCRDVFQK-GASCZTMLSA-N 1 0 340.383 2.349 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891461841 676666235 /nfs/dbraw/zinc/66/62/35/676666235.db2.gz XBVVOPLHFCWEQU-GFCCVEGCSA-N 1 0 330.388 2.343 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891667369 676762686 /nfs/dbraw/zinc/76/26/86/676762686.db2.gz CQPLHPVPVMLOHP-KBPBESRZSA-N 1 0 338.795 2.284 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892122664 678030981 /nfs/dbraw/zinc/03/09/81/678030981.db2.gz ZEBVDIPQRVJXOL-CYBMUJFWSA-N 1 0 337.420 2.473 20 5 EEBDRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)ccn1C ZINC001022670302 678175967 /nfs/dbraw/zinc/17/59/67/678175967.db2.gz CCHQKBKFNATDDQ-GASCZTMLSA-N 1 0 342.399 2.292 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC001022869250 678676001 /nfs/dbraw/zinc/67/60/01/678676001.db2.gz TXJMBHRANSJMCR-IYBDPMFKSA-N 1 0 340.383 2.349 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH3+])CC2)cc1SC ZINC000237120910 681364261 /nfs/dbraw/zinc/36/42/61/681364261.db2.gz YJQNVHLZDMBIKB-UHFFFAOYSA-N 1 0 339.417 2.136 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1N1CCN([C@H](C)c2cccnc2)CC1 ZINC000892544083 681701432 /nfs/dbraw/zinc/70/14/32/681701432.db2.gz BYCLEABAPDQKTO-CYBMUJFWSA-N 1 0 343.387 2.277 20 5 EEBDRO CC[N@@H+]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000894178298 682175668 /nfs/dbraw/zinc/17/56/68/682175668.db2.gz LNZXIPOJJHCBLK-CYBMUJFWSA-N 1 0 344.415 2.367 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCC1 ZINC000983293831 682199119 /nfs/dbraw/zinc/19/91/19/682199119.db2.gz FUXUBVQBWHTOAV-KOMQPUFPSA-N 1 0 345.399 2.274 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892840551 683124765 /nfs/dbraw/zinc/12/47/65/683124765.db2.gz PZASTJJIKKJPNC-TZMCWYRMSA-N 1 0 344.415 2.223 20 5 EEBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178328755 683425953 /nfs/dbraw/zinc/42/59/53/683425953.db2.gz AHZHCFLATLWVAF-UHFFFAOYSA-N 1 0 343.767 2.118 20 5 EEBDRO C[NH+](C)CC1(O)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000894953980 683432273 /nfs/dbraw/zinc/43/22/73/683432273.db2.gz IMZUFQJMZFUBEE-UHFFFAOYSA-N 1 0 336.417 2.097 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000029092135 684044176 /nfs/dbraw/zinc/04/41/76/684044176.db2.gz KUGDYLYVUGBPNY-UHFFFAOYSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246663 684382137 /nfs/dbraw/zinc/38/21/37/684382137.db2.gz OZAGNFKMUOEBIL-BLLLJJGKSA-N 1 0 329.404 2.189 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000895472218 684617227 /nfs/dbraw/zinc/61/72/27/684617227.db2.gz BODMIPFVKPKJDG-INIZCTEOSA-N 1 0 346.431 2.116 20 5 EEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(F)F)CC1 ZINC000985192336 686068005 /nfs/dbraw/zinc/06/80/05/686068005.db2.gz KSSKEKLSVKCNFD-UHFFFAOYSA-N 1 0 333.360 2.344 20 5 EEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cnco2)CC1 ZINC000985559054 687138718 /nfs/dbraw/zinc/13/87/18/687138718.db2.gz OFJSUBLABPQFPL-UHFFFAOYSA-N 1 0 344.371 2.319 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866962425 689706102 /nfs/dbraw/zinc/70/61/02/689706102.db2.gz NBLCFQJRWZYLDT-UHFFFAOYSA-N 1 0 348.808 2.443 20 5 EEBDRO COC(=O)COc1c(C)cc(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168189700 1187300856 /nfs/dbraw/zinc/30/08/56/1187300856.db2.gz YBJUXHRUGFXGIR-UHFFFAOYSA-N 1 0 337.376 2.009 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865567262 1198280457 /nfs/dbraw/zinc/28/04/57/1198280457.db2.gz HBCSGBQIVJLDGI-LBPRGKRZSA-N 1 0 325.384 2.394 20 5 EEBDRO Cc1c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000873022352 1198476421 /nfs/dbraw/zinc/47/64/21/1198476421.db2.gz VYUXZJCWXMBNHE-OAHLLOKOSA-N 1 0 330.388 2.259 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000825874011 1199617096 /nfs/dbraw/zinc/61/70/96/1199617096.db2.gz SKFVEXSQGIUAJI-GJZGRUSLSA-N 1 0 343.468 2.075 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([N@H+](C)CCCO)CC1 ZINC000876738004 1199748847 /nfs/dbraw/zinc/74/88/47/1199748847.db2.gz XPAYEPVUTRYRQR-UHFFFAOYSA-N 1 0 335.448 2.490 20 5 EEBDRO COC(=O)c1oc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1C ZINC000825903792 1199778186 /nfs/dbraw/zinc/77/81/86/1199778186.db2.gz SBGOFTXDVYBNKA-UHFFFAOYSA-N 1 0 333.344 2.248 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877341333 1199907530 /nfs/dbraw/zinc/90/75/30/1199907530.db2.gz TXCGBIRSSLOFFX-HNNXBMFYSA-N 1 0 325.368 2.348 20 5 EEBDRO Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000877347357 1199910050 /nfs/dbraw/zinc/91/00/50/1199910050.db2.gz VBFBYZZYMJUUEH-INIZCTEOSA-N 1 0 325.368 2.348 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000812326026 1200640737 /nfs/dbraw/zinc/64/07/37/1200640737.db2.gz WERNLCUGZOOVIH-NWDGAFQWSA-N 1 0 335.429 2.340 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCCC2 ZINC000866337605 1201495682 /nfs/dbraw/zinc/49/56/82/1201495682.db2.gz KXYDEEXOLDKNSX-NSHDSACASA-N 1 0 333.367 2.383 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000881468577 1201704850 /nfs/dbraw/zinc/70/48/50/1201704850.db2.gz DUCASLGLULFADK-INIZCTEOSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000885966813 1202460108 /nfs/dbraw/zinc/46/01/08/1202460108.db2.gz DTJKKEUETMNYFD-IIAWOOMASA-N 1 0 334.420 2.063 20 5 EEBDRO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000886593725 1202529524 /nfs/dbraw/zinc/52/95/24/1202529524.db2.gz XVJPKAWTMTWSDD-OAHLLOKOSA-N 1 0 349.431 2.335 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C[C@@H]3CCCO3)CC2)cc1 ZINC000886668780 1202541750 /nfs/dbraw/zinc/54/17/50/1202541750.db2.gz ZHQPMYZWCNBGQZ-YJBOKZPZSA-N 1 0 349.431 2.083 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000890068684 1204776115 /nfs/dbraw/zinc/77/61/15/1204776115.db2.gz BSHZYDKDCQWCKC-UHFFFAOYSA-N 1 0 339.367 2.204 20 5 EEBDRO C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000826683892 1204813586 /nfs/dbraw/zinc/81/35/86/1204813586.db2.gz CYHZGAIAZOKVNC-INIZCTEOSA-N 1 0 347.415 2.105 20 5 EEBDRO CC[NH+](CC)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095415534 1205711559 /nfs/dbraw/zinc/71/15/59/1205711559.db2.gz HUHFGMRUKYQDCH-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO Cc1cc(N(C)CCCNC(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095714009 1205921923 /nfs/dbraw/zinc/92/19/23/1205921923.db2.gz WDOITHFYUROFRT-UHFFFAOYSA-N 1 0 348.447 2.188 20 5 EEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000925214977 1206083957 /nfs/dbraw/zinc/08/39/57/1206083957.db2.gz JYBCKXZZJVPPBD-NSHDSACASA-N 1 0 336.344 2.355 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000931036093 1206601918 /nfs/dbraw/zinc/60/19/18/1206601918.db2.gz BLIPOLLDPMAGBO-WCQYABFASA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931047439 1206602671 /nfs/dbraw/zinc/60/26/71/1206602671.db2.gz YRDDZTWBJWLWEP-BBRMVZONSA-N 1 0 334.420 2.256 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000931047513 1206602681 /nfs/dbraw/zinc/60/26/81/1206602681.db2.gz ZZPNQFZGLNULNP-GWCFXTLKSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280098 1206621379 /nfs/dbraw/zinc/62/13/79/1206621379.db2.gz CBNNVYOPJRVGOQ-RABLLNBGSA-N 1 0 343.387 2.198 20 5 EEBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000778255993 1207992701 /nfs/dbraw/zinc/99/27/01/1207992701.db2.gz BOTSSERHOWGBLD-SNVBAGLBSA-N 1 0 327.331 2.286 20 5 EEBDRO CCC(=O)NCC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001111309663 1210106078 /nfs/dbraw/zinc/10/60/78/1210106078.db2.gz VYVSMKAZWVAGBH-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000193119519 1210733811 /nfs/dbraw/zinc/73/38/11/1210733811.db2.gz YSPQFPIBEOTVES-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020059914 1229465194 /nfs/dbraw/zinc/46/51/94/1229465194.db2.gz GMORRYSQODPQGZ-HDJSIYSDSA-N 1 0 328.372 2.282 20 5 EEBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(Cl)c1 ZINC001020139992 1229505618 /nfs/dbraw/zinc/50/56/18/1229505618.db2.gz SIHWMIPOIZOZMJ-RGCMKSIDSA-N 1 0 337.807 2.050 20 5 EEBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119994455 1229646563 /nfs/dbraw/zinc/64/65/63/1229646563.db2.gz MSAUDEWTQBZDRL-ZIAGYGMSSA-N 1 0 348.447 2.456 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001039583410 1230702784 /nfs/dbraw/zinc/70/27/84/1230702784.db2.gz OUKAKVOMEBFGMT-YYIAUSFCSA-N 1 0 335.448 2.297 20 5 EEBDRO Cc1cccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001045436267 1233744153 /nfs/dbraw/zinc/74/41/53/1233744153.db2.gz OLTCXKMOGVHOJJ-HZPDHXFCSA-N 1 0 331.416 2.131 20 5 EEBDRO C[NH+]1CCC(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900484080 1234405740 /nfs/dbraw/zinc/40/57/40/1234405740.db2.gz IXPHYWWPAMTHGV-UHFFFAOYSA-N 1 0 329.759 2.459 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCC[NH2+]1 ZINC000902489529 1237704066 /nfs/dbraw/zinc/70/40/66/1237704066.db2.gz QVQKDDOONDJTTE-ZFWWWQNUSA-N 1 0 334.420 2.434 20 5 EEBDRO O=C(N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1)C1(CF)CC1 ZINC001049048677 1239852302 /nfs/dbraw/zinc/85/23/02/1239852302.db2.gz LSTGLSOBKQADQT-GASCZTMLSA-N 1 0 347.390 2.235 20 5 EEBDRO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286598 1240177588 /nfs/dbraw/zinc/17/75/88/1240177588.db2.gz BYCIDFGSIHRFRQ-VXGBXAGGSA-N 1 0 326.418 2.459 20 5 EEBDRO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001001398016 1242192456 /nfs/dbraw/zinc/19/24/56/1242192456.db2.gz YHWONQUKPSLQSK-QZTJIDSGSA-N 1 0 345.443 2.297 20 5 EEBDRO C[NH+]1CCC(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001057341178 1243366041 /nfs/dbraw/zinc/36/60/41/1243366041.db2.gz ZPWIAHVJRFUUCB-UHFFFAOYSA-N 1 0 346.431 2.340 20 5 EEBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097056998 1243669829 /nfs/dbraw/zinc/66/98/29/1243669829.db2.gz QWINVXRKSRPLCJ-HDJSIYSDSA-N 1 0 334.420 2.304 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001097231193 1243857149 /nfs/dbraw/zinc/85/71/49/1243857149.db2.gz TVWCCMZSYOZBFS-BETUJISGSA-N 1 0 349.435 2.088 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N(CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001101352734 1245703271 /nfs/dbraw/zinc/70/32/71/1245703271.db2.gz LAAXCGUIMLOEJE-UHFFFAOYSA-N 1 0 348.447 2.328 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001101647256 1246076725 /nfs/dbraw/zinc/07/67/25/1246076725.db2.gz SGABOBGNXUPLNQ-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO CSc1nc(Cl)nc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165141447 1321464828 /nfs/dbraw/zinc/46/48/28/1321464828.db2.gz WSNOHEBPADMYAP-UHFFFAOYSA-N 1 0 331.829 2.292 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853494184 1292397815 /nfs/dbraw/zinc/39/78/15/1292397815.db2.gz KYQIXNIECFVLRI-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO C[C@H](CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000853824966 1292474968 /nfs/dbraw/zinc/47/49/68/1292474968.db2.gz AOXONCKBVNMTQH-SNVBAGLBSA-N 1 0 331.319 2.023 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854650371 1292905745 /nfs/dbraw/zinc/90/57/45/1292905745.db2.gz PQIPBTSSWVGLPG-ZANVPECISA-N 1 0 343.786 2.481 20 5 EEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854655171 1292908789 /nfs/dbraw/zinc/90/87/89/1292908789.db2.gz OJVQOFUQIBINNQ-ZWNOBZJWSA-N 1 0 327.331 2.238 20 5 EEBDRO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000854738532 1292934769 /nfs/dbraw/zinc/93/47/69/1292934769.db2.gz MRQBWICNTMWIGG-KRWDZBQOSA-N 1 0 332.404 2.043 20 5 EEBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000856796665 1293635820 /nfs/dbraw/zinc/63/58/20/1293635820.db2.gz XYGRATMAZSWZBN-NEPJUHHUSA-N 1 0 339.367 2.013 20 5 EEBDRO CC[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000857764918 1293910796 /nfs/dbraw/zinc/91/07/96/1293910796.db2.gz DRJOBODYIYWXNA-ZWNOBZJWSA-N 1 0 343.330 2.152 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001102017356 1300147352 /nfs/dbraw/zinc/14/73/52/1300147352.db2.gz TWJAMDAFRAMOAX-UHFFFAOYSA-N 1 0 338.383 2.089 20 5 EEBDRO Cc1ccc(NCCN(C)C(=O)C23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC001102041204 1300185555 /nfs/dbraw/zinc/18/55/55/1300185555.db2.gz UIVSXHBKAPOKEG-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO COCCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226268847 1301330841 /nfs/dbraw/zinc/33/08/41/1301330841.db2.gz RQLMAVGAWPYHCN-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO CC(C)(C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001226447107 1301414625 /nfs/dbraw/zinc/41/46/25/1301414625.db2.gz SRAMEAPLAZOBHD-CYBMUJFWSA-N 1 0 339.412 2.255 20 5 EEBDRO COC(=O)c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001227298366 1301770230 /nfs/dbraw/zinc/77/02/30/1301770230.db2.gz PFXRNKLQYSJHRU-YWVIFJGQSA-N 1 0 334.372 2.491 20 5 EEBDRO COCCC[NH+]1CCC(Oc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001229401942 1302763747 /nfs/dbraw/zinc/76/37/47/1302763747.db2.gz GFMZNBZRQBOKHH-UHFFFAOYSA-N 1 0 346.387 2.418 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190972 1305180115 /nfs/dbraw/zinc/18/01/15/1305180115.db2.gz VXOZUBXADAJTFH-LSDHHAIUSA-N 1 0 343.383 2.219 20 5 EEBDRO COc1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC001120479906 1309571131 /nfs/dbraw/zinc/57/11/31/1309571131.db2.gz DTDAHNCKWDDRPT-SFHVURJKSA-N 1 0 346.383 2.478 20 5 EEBDRO O[C@H]1C[NH2+]C[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247750002 1310709955 /nfs/dbraw/zinc/70/99/55/1310709955.db2.gz UOOMSQRZACXAPW-ZIAGYGMSSA-N 1 0 347.378 2.271 20 5 EEBDRO Cc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC001248213421 1310864789 /nfs/dbraw/zinc/86/47/89/1310864789.db2.gz BWVXNVZCLSIADO-CYBMUJFWSA-N 1 0 339.355 2.461 20 5 EEBDRO C[NH+](C)CCOc1cc(NC[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC001162262424 1320799649 /nfs/dbraw/zinc/79/96/49/1320799649.db2.gz ZWWVXZKZNDADFA-CQSZACIVSA-N 1 0 335.360 2.274 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[N@@H+](CCCO)C3)sc2c1 ZINC000828461219 1314459641 /nfs/dbraw/zinc/45/96/41/1314459641.db2.gz OGLFWAWGNUZAJQ-LLVKDONJSA-N 1 0 336.417 2.463 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834353447 1314827134 /nfs/dbraw/zinc/82/71/34/1314827134.db2.gz HVCRHTDITJWHQK-XWIAVFTESA-N 1 0 330.384 2.382 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000843069144 1315834877 /nfs/dbraw/zinc/83/48/77/1315834877.db2.gz NZVDFHCLVDUMAA-KDOFPFPSSA-N 1 0 348.374 2.208 20 5 EEBDRO COc1ccc(Cc2nc(CC3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000843132575 1315851304 /nfs/dbraw/zinc/85/13/04/1315851304.db2.gz AOAFSGVKDRWFFL-UHFFFAOYSA-N 1 0 332.360 2.119 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433686 1315914762 /nfs/dbraw/zinc/91/47/62/1315914762.db2.gz GPJPJZKUIDLZSP-JQIVSHAJSA-N 1 0 331.372 2.428 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843481864 1315921626 /nfs/dbraw/zinc/92/16/26/1315921626.db2.gz UAKULRKDJLBBCZ-STQMWFEESA-N 1 0 332.404 2.029 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001154758660 1317299440 /nfs/dbraw/zinc/29/94/40/1317299440.db2.gz DPRZRPFBSDTREE-UHFFFAOYSA-N 1 0 329.356 2.210 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001155231708 1317514205 /nfs/dbraw/zinc/51/42/05/1317514205.db2.gz QPXGUJDPLXWWAJ-CQSZACIVSA-N 1 0 338.408 2.150 20 5 EEBDRO COc1cccc(N(c2cc(N)c([N+](=O)[O-])cn2)C2CC[NH2+]CC2)c1 ZINC001155605724 1317671576 /nfs/dbraw/zinc/67/15/76/1317671576.db2.gz GLIPMCOIYBRXRD-UHFFFAOYSA-N 1 0 343.387 2.471 20 5 EEBDRO C[N@@H+]1CC[C@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156581111 1318086647 /nfs/dbraw/zinc/08/66/47/1318086647.db2.gz BNIYCSFYFOOWCF-YFKPBYRVSA-N 1 0 325.678 2.173 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)COCc1ccccc1)C2 ZINC001254578357 1318129866 /nfs/dbraw/zinc/12/98/66/1318129866.db2.gz KHWJRTWDFQBXMV-ROUUACIJSA-N 1 0 342.395 2.229 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(Cc3ccncc3)C1)C2 ZINC001254585573 1318132710 /nfs/dbraw/zinc/13/27/10/1318132710.db2.gz MIBCQMAXRYWIOW-ROUUACIJSA-N 1 0 338.411 2.321 20 5 EEBDRO O=C1COc2ccc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2N1 ZINC001254589804 1318137248 /nfs/dbraw/zinc/13/72/48/1318137248.db2.gz RFDMVPLTFYCTBN-CQSZACIVSA-N 1 0 339.351 2.183 20 5 EEBDRO O=C(NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CC1 ZINC001254597461 1318139267 /nfs/dbraw/zinc/13/92/67/1318139267.db2.gz DWZAXGISLTWMEL-QGZVFWFLSA-N 1 0 329.400 2.053 20 5 EEBDRO O=C1N(c2ccccc2)CC12C[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254603973 1318140913 /nfs/dbraw/zinc/14/09/13/1318140913.db2.gz RMFJWTULMOWLJQ-GOSISDBHSA-N 1 0 349.390 2.411 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1cnccn1)C1CC[NH2+]CC1)C2 ZINC001254606109 1318142924 /nfs/dbraw/zinc/14/29/24/1318142924.db2.gz DXMCRMVTHHVTLL-KRWDZBQOSA-N 1 0 339.399 2.111 20 5 EEBDRO CCN1CCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1=O ZINC001254609870 1318144237 /nfs/dbraw/zinc/14/42/37/1318144237.db2.gz ZVBZMLGTHLDHTK-KRWDZBQOSA-N 1 0 343.427 2.396 20 5 EEBDRO COC1(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001157161128 1318450676 /nfs/dbraw/zinc/45/06/76/1318450676.db2.gz VOLHBGINTSBQPR-UHFFFAOYSA-N 1 0 341.433 2.211 20 5 EEBDRO C[N@H+](C1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158735450 1319408988 /nfs/dbraw/zinc/40/89/88/1319408988.db2.gz FHIGRFMKNDBAAH-ZDUSSCGKSA-N 1 0 328.372 2.052 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC001159041172 1319574921 /nfs/dbraw/zinc/57/49/21/1319574921.db2.gz XYLREDZYADOXCN-UHFFFAOYSA-N 1 0 339.342 2.498 20 5 EEBDRO CCOC(=O)C1=C(N=c2ccc3ccc([N+](=O)[O-])cc3[nH]2)CC[NH2+]C1 ZINC001159452779 1319811935 /nfs/dbraw/zinc/81/19/35/1319811935.db2.gz OQAWNUIIISENJU-UHFFFAOYSA-N 1 0 342.355 2.365 20 5 EEBDRO COc1ncnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001159545366 1319872374 /nfs/dbraw/zinc/87/23/74/1319872374.db2.gz JOGPAOUHWNCNLU-UHFFFAOYSA-N 1 0 347.419 2.127 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001159950279 1320031222 /nfs/dbraw/zinc/03/12/22/1320031222.db2.gz WVIJTDMSPFSJOZ-GFCCVEGCSA-N 1 0 338.367 2.297 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnc(C2CC2)o1 ZINC001160166168 1320088542 /nfs/dbraw/zinc/08/85/42/1320088542.db2.gz ANRQKGYIGJYPBW-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cc1noc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001160633222 1320217225 /nfs/dbraw/zinc/21/72/25/1320217225.db2.gz JCOWXPOMXYOUSN-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)cnc2c1 ZINC001160736891 1320253918 /nfs/dbraw/zinc/25/39/18/1320253918.db2.gz NPYHDBRAGYIBCT-VHSXEESVSA-N 1 0 341.293 2.490 20 5 EEBDRO O=C(CCc1cccnc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161932141 1320681794 /nfs/dbraw/zinc/68/17/94/1320681794.db2.gz WFWUZXAZBBNCDQ-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2COCCC23C[NH2+]C3)c(C(F)(F)F)c1 ZINC001163071579 1321028462 /nfs/dbraw/zinc/02/84/62/1321028462.db2.gz DZGCNYKYXMVGOF-GFCCVEGCSA-N 1 0 331.294 2.404 20 5 EEBDRO COc1cccc([C@H](C[NH3+])Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001163309585 1321093565 /nfs/dbraw/zinc/09/35/65/1321093565.db2.gz MNCMPXCWLOKLMK-NSHDSACASA-N 1 0 338.751 2.002 20 5 EEBDRO Cc1cncc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001163325100 1321098001 /nfs/dbraw/zinc/09/80/01/1321098001.db2.gz SSFFRCWRCUUSFX-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001163461451 1321131758 /nfs/dbraw/zinc/13/17/58/1321131758.db2.gz FTWCWWAZAMTBQF-ZDUSSCGKSA-N 1 0 330.344 2.197 20 5 EEBDRO COc1nc(N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001163668814 1321186545 /nfs/dbraw/zinc/18/65/45/1321186545.db2.gz FBVBWCKTZKHQMB-HNNXBMFYSA-N 1 0 328.372 2.492 20 5 EEBDRO CN(C)/C=C/c1cc(N2CCC[C@@](C)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001164246547 1321329545 /nfs/dbraw/zinc/32/95/45/1321329545.db2.gz AWCFPCPRNFFMOG-HFTQHKIXSA-N 1 0 333.436 2.477 20 5 EEBDRO CC(C)(O)CC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001164367923 1321363812 /nfs/dbraw/zinc/36/38/12/1321363812.db2.gz XQZSWLFARCDIHB-UHFFFAOYSA-N 1 0 349.431 2.132 20 5 EEBDRO CCOc1nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164612897 1321435691 /nfs/dbraw/zinc/43/56/91/1321435691.db2.gz PGFMAVZRQHHAIS-OAHLLOKOSA-N 1 0 342.399 2.409 20 5 EEBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165107629 1321455913 /nfs/dbraw/zinc/45/59/13/1321455913.db2.gz KAHSBYHJCUQLPY-CQSZACIVSA-N 1 0 338.383 2.209 20 5 EEBDRO C[NH+]1C[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001165152589 1321466480 /nfs/dbraw/zinc/46/64/80/1321466480.db2.gz YXNMCOHFQPDBSJ-UWVGGRQHSA-N 1 0 333.779 2.189 20 5 EEBDRO Cc1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165394890 1321515884 /nfs/dbraw/zinc/51/58/84/1321515884.db2.gz KRDMKXJYGGRIQP-CABCVRRESA-N 1 0 325.372 2.301 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492490 1322114665 /nfs/dbraw/zinc/11/46/65/1322114665.db2.gz HKODYUGNBOPKDJ-AWEZNQCLSA-N 1 0 346.431 2.387 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001317950793 1332450244 /nfs/dbraw/zinc/45/02/44/1332450244.db2.gz OCMJWFWBMRZUFZ-STQMWFEESA-N 1 0 334.420 2.487 20 5 EEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001318891068 1332618689 /nfs/dbraw/zinc/61/86/89/1332618689.db2.gz RPNJAJDIGRECLB-UHFFFAOYSA-N 1 0 339.779 2.005 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C(C)(C)C)CC1 ZINC001322761232 1333321735 /nfs/dbraw/zinc/32/17/35/1333321735.db2.gz BNFGUZLWCAXNLD-ZDUSSCGKSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC001323989932 1333584220 /nfs/dbraw/zinc/58/42/20/1333584220.db2.gz DXZPXBIPPQFSDH-UHFFFAOYSA-N 1 0 330.388 2.273 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001327718581 1334338805 /nfs/dbraw/zinc/33/88/05/1334338805.db2.gz VHUGMMPLAZCWRT-JKSUJKDBSA-N 1 0 349.435 2.179 20 5 EEBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409222 1351964765 /nfs/dbraw/zinc/96/47/65/1351964765.db2.gz BWROPZKCYANKLB-NSHDSACASA-N 1 0 345.407 2.227 20 5 EEBDRO O=[N+]([O-])c1cc(CO)c(N2CCCN(c3cc[nH+]cc3)CC2)cc1F ZINC001334287207 1336234156 /nfs/dbraw/zinc/23/41/56/1336234156.db2.gz YKZJNXKJSGKOKF-UHFFFAOYSA-N 1 0 346.362 2.338 20 5 EEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H](C)[NH2+]1 ZINC001336419745 1336540461 /nfs/dbraw/zinc/54/04/61/1336540461.db2.gz UITFYRQTKIKJKN-BETUJISGSA-N 1 0 332.404 2.017 20 5 EEBDRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001338055344 1336783064 /nfs/dbraw/zinc/78/30/64/1336783064.db2.gz DTBDPBBNMAJFQT-CYBMUJFWSA-N 1 0 338.456 2.101 20 5 EEBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC001338449487 1336862659 /nfs/dbraw/zinc/86/26/59/1336862659.db2.gz UAFFWPHJAGMPMH-GOSISDBHSA-N 1 0 346.383 2.478 20 5 EEBDRO C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H]1C[NH3+] ZINC001576700343 1344048946 /nfs/dbraw/zinc/04/89/46/1344048946.db2.gz QUWZCVDPDIIFPT-PRHODGIISA-N 1 0 341.799 2.422 20 5 EEBDRO CC[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC001577279660 1344119725 /nfs/dbraw/zinc/11/97/25/1344119725.db2.gz NIVRPEVLSQMRCC-AAEUAGOBSA-N 1 0 330.388 2.010 20 5 EEBDRO COc1c(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC001579134442 1344341435 /nfs/dbraw/zinc/34/14/35/1344341435.db2.gz APSVNGULHOXKBZ-UHFFFAOYSA-N 1 0 343.339 2.338 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)n1 ZINC001579642426 1344402449 /nfs/dbraw/zinc/40/24/49/1344402449.db2.gz FKYAYMMQNBDOQL-UHFFFAOYSA-N 1 0 330.319 2.335 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734122 1344411067 /nfs/dbraw/zinc/41/10/67/1344411067.db2.gz OOKWHSWGZVKGFC-KBXCAEBGSA-N 1 0 346.431 2.293 20 5 EEBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001590445669 1349327519 /nfs/dbraw/zinc/32/75/19/1349327519.db2.gz HZHUCECZFNRMIA-LBPRGKRZSA-N 1 0 331.380 2.061 20 5 EEBDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001590464758 1349339516 /nfs/dbraw/zinc/33/95/16/1349339516.db2.gz FTAFVTCMPNLJQU-AWEZNQCLSA-N 1 0 346.391 2.070 20 5 EEBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590474401 1349347317 /nfs/dbraw/zinc/34/73/17/1349347317.db2.gz HAOBCQIGIDFATH-UHFFFAOYSA-N 1 0 348.407 2.194 20 5 EEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCC3)CC2)cccc1-c1nn[nH]n1 ZINC001593466102 1349803435 /nfs/dbraw/zinc/80/34/35/1349803435.db2.gz XGGNEBUCBYSJDK-UHFFFAOYSA-N 1 0 343.391 2.204 20 5 EEBDRO CO[C@@]1(C)CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001605015421 1351055857 /nfs/dbraw/zinc/05/58/57/1351055857.db2.gz LNEPOZVTSFRZKX-INIZCTEOSA-N 1 0 346.391 2.166 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001605015422 1351056099 /nfs/dbraw/zinc/05/60/99/1351056099.db2.gz LNEPOZVTSFRZKX-MRXNPFEDSA-N 1 0 346.391 2.166 20 5 EEBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000815593784 1368043119 /nfs/dbraw/zinc/04/31/19/1368043119.db2.gz XDSSAIMRYWYCTH-LRDDRELGSA-N 1 0 334.420 2.475 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110593806 1369116641 /nfs/dbraw/zinc/11/66/41/1369116641.db2.gz PQPBDOMAUIEKBD-UHFFFAOYSA-N 1 0 348.447 2.410 20 5 EEBDRO CC1([C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000784570255 1371419870 /nfs/dbraw/zinc/41/98/70/1371419870.db2.gz DBWJWCQSOVXLFE-ZBFHGGJFSA-N 1 0 336.388 2.103 20 5 EEBDRO C[NH2+][C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001122179250 1371951374 /nfs/dbraw/zinc/95/13/74/1371951374.db2.gz CFJYLOOQYILNPS-QGZVFWFLSA-N 1 0 341.411 2.474 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001577381346 1403642689 /nfs/dbraw/zinc/64/26/89/1403642689.db2.gz ROKSWHZBJLVRQG-AWEZNQCLSA-N 1 0 335.404 2.273 20 5 EEBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[NH2+]C1 ZINC001577657939 1403667384 /nfs/dbraw/zinc/66/73/84/1403667384.db2.gz ULNMCIPGOZDSQW-CYBMUJFWSA-N 1 0 344.419 2.309 20 5 EEBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1(C[NH3+])CCCCC1 ZINC001578389390 1403745584 /nfs/dbraw/zinc/74/55/84/1403745584.db2.gz INQUXWFYOFORCN-UHFFFAOYSA-N 1 0 335.360 2.057 20 5 EEBDRO COCC[NH2+]CC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001579040081 1403777008 /nfs/dbraw/zinc/77/70/08/1403777008.db2.gz JMWAXPYZZQUCJS-UHFFFAOYSA-N 1 0 341.795 2.227 20 5 EEBDRO CC(C)C[NH+]1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164651839 719331236 /nfs/dbraw/zinc/33/12/36/719331236.db2.gz JAPVMVYJLLQDJR-UHFFFAOYSA-N 1 0 334.207 2.470 20 5 EEBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001164667736 719482501 /nfs/dbraw/zinc/48/25/01/719482501.db2.gz MKWATNBQEHMQKN-LSDHHAIUSA-N 1 0 348.790 2.316 20 5 EEBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100546491 760000846 /nfs/dbraw/zinc/00/08/46/760000846.db2.gz AFEXWMJMFFUSQJ-UHFFFAOYSA-N 1 0 336.436 2.186 20 5 EEBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000173512916 765574279 /nfs/dbraw/zinc/57/42/79/765574279.db2.gz LZAUWJOEXDEVDR-UHFFFAOYSA-N 1 0 344.419 2.382 20 5 EEBDRO Cc1nc2cc(CNc3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])ccc2o1 ZINC001167757500 769586135 /nfs/dbraw/zinc/58/61/35/769586135.db2.gz SMZORYJQFGKKQI-UHFFFAOYSA-N 1 0 340.343 2.133 20 5 EEBDRO CC[NH+](CC)CCOC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000919678023 770194564 /nfs/dbraw/zinc/19/45/64/770194564.db2.gz LMGHAVDGOMWINQ-UHFFFAOYSA-N 1 0 346.387 2.494 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000921076790 770954646 /nfs/dbraw/zinc/95/46/46/770954646.db2.gz ANOOGRPWXOENMX-SNVBAGLBSA-N 1 0 338.364 2.272 20 5 EEBDRO C[C@@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000921434975 773371725 /nfs/dbraw/zinc/37/17/25/773371725.db2.gz SAWINLYTUKPPDE-XHBSWPGZSA-N 1 0 332.404 2.438 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846742283 790527182 /nfs/dbraw/zinc/52/71/82/790527182.db2.gz HSDGVXVDNZPSMB-WCBMZHEXSA-N 1 0 329.759 2.268 20 5 EEBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001167896124 779412867 /nfs/dbraw/zinc/41/28/67/779412867.db2.gz UEFKCXUTKYZXBM-CYBMUJFWSA-N 1 0 332.360 2.144 20 5 EEBDRO CC(C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843696200 779825638 /nfs/dbraw/zinc/82/56/38/779825638.db2.gz REZZXHGOAAAJPX-BRWVUGGUSA-N 1 0 331.416 2.163 20 5 EEBDRO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C2CC2)n1 ZINC000894080145 780507322 /nfs/dbraw/zinc/50/73/22/780507322.db2.gz SSDNCAIZBLIIBU-UHFFFAOYSA-N 1 0 330.392 2.239 20 5 EEBDRO Cc1nc2ccccn2c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809733572 783316571 /nfs/dbraw/zinc/31/65/71/783316571.db2.gz ZJTXGGUYHBJWST-MRXNPFEDSA-N 1 0 326.356 2.374 20 5 EEBDRO COc1cc(CNC2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000906511124 783957342 /nfs/dbraw/zinc/95/73/42/783957342.db2.gz SWCSPRBUVQKXDM-UHFFFAOYSA-N 1 0 349.309 2.124 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1[nH]ccc1C1CC1 ZINC001129083089 783985721 /nfs/dbraw/zinc/98/57/21/783985721.db2.gz VNSHXQQBDAIAPC-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1 ZINC000818979531 785348172 /nfs/dbraw/zinc/34/81/72/785348172.db2.gz PLLHODGAKZCTKN-PBHICJAKSA-N 1 0 341.367 2.023 20 5 EEBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCCCC1 ZINC000819172245 785446406 /nfs/dbraw/zinc/44/64/06/785446406.db2.gz XBFKKJMUQFDGGV-IRXDYDNUSA-N 1 0 347.415 2.151 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000819175877 785447623 /nfs/dbraw/zinc/44/76/23/785447623.db2.gz COEFMYUXQJTFNZ-FVQBIDKESA-N 1 0 338.429 2.273 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000820343430 785881144 /nfs/dbraw/zinc/88/11/44/785881144.db2.gz VTQZBRCRESHYTF-MRXNPFEDSA-N 1 0 335.429 2.485 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001107199651 786369961 /nfs/dbraw/zinc/36/99/61/786369961.db2.gz DVFHVDHMOKHZMH-NSCUHMNNSA-N 1 0 332.404 2.083 20 5 EEBDRO CCc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996442499 786380093 /nfs/dbraw/zinc/38/00/93/786380093.db2.gz XAPGVHXPBQWIKY-QZTJIDSGSA-N 1 0 345.443 2.037 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911678702 787631174 /nfs/dbraw/zinc/63/11/74/787631174.db2.gz UBDUIRSZHNRXGJ-IAGOWNOFSA-N 1 0 329.400 2.441 20 5 EEBDRO Cc1ccc(NC/C=C\CNC(=O)C[N@@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001107565240 787666928 /nfs/dbraw/zinc/66/69/28/787666928.db2.gz ROWZXWZHLHCKNS-ARJAWSKDSA-N 1 0 346.431 2.472 20 5 EEBDRO CSCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001146957968 791596532 /nfs/dbraw/zinc/59/65/32/791596532.db2.gz DUMRAPXWZWIDCX-UHFFFAOYSA-N 1 0 349.456 2.382 20 5 EEBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCC2(CCCC2)C1 ZINC000173441991 791856415 /nfs/dbraw/zinc/85/64/15/791856415.db2.gz JLYAUYJUMCZABI-UHFFFAOYSA-N 1 0 329.356 2.414 20 5 EEBDRO O=C(CCCc1ccccn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148585430 792569808 /nfs/dbraw/zinc/56/98/08/792569808.db2.gz BOUDNUCWQXDHGQ-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001093670692 795562251 /nfs/dbraw/zinc/56/22/51/795562251.db2.gz DUHWEPOHGKHVDD-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1 ZINC000716196939 795615590 /nfs/dbraw/zinc/61/55/90/795615590.db2.gz GMNJZIKNLMELGR-MOPGFXCFSA-N 1 0 341.411 2.492 20 5 EEBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110148628 795624328 /nfs/dbraw/zinc/62/43/28/795624328.db2.gz MOHKQRRMRJIEIY-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CCCCCC[N@H+](C)CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093802322 795697747 /nfs/dbraw/zinc/69/77/47/795697747.db2.gz DBOFDRULDAPESG-UHFFFAOYSA-N 1 0 337.424 2.030 20 5 EEBDRO CC(C)[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000915208570 795736627 /nfs/dbraw/zinc/73/66/27/795736627.db2.gz GKWPEMZBJXNZDT-SJKOYZFVSA-N 1 0 348.403 2.296 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001093888983 795767408 /nfs/dbraw/zinc/76/74/08/795767408.db2.gz LFDHIYXCMXZHCM-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)no1 ZINC001171781255 796742788 /nfs/dbraw/zinc/74/27/88/796742788.db2.gz CKDXSPOBOKGHQP-UHFFFAOYSA-N 1 0 338.751 2.146 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(C[C@H](O)CO3)CC1)CC2 ZINC001172903727 797130997 /nfs/dbraw/zinc/13/09/97/797130997.db2.gz IYHCOHKXQZPGOO-WMZOPIPTSA-N 1 0 346.427 2.458 20 5 EEBDRO CN(C)C(=O)C1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172906104 797132608 /nfs/dbraw/zinc/13/26/08/797132608.db2.gz LWGXLRQFEQUONW-HNNXBMFYSA-N 1 0 331.416 2.443 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCN([C@@H]3CCOC3)CC1)CC2 ZINC001172907476 797133558 /nfs/dbraw/zinc/13/35/58/797133558.db2.gz FHKMPCJUPCHGRS-PKOBYXMFSA-N 1 0 345.443 2.249 20 5 EEBDRO CC(=O)N1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172918287 797170825 /nfs/dbraw/zinc/17/08/25/797170825.db2.gz ANJPEULWDLCHQY-SUMWQHHRSA-N 1 0 331.416 2.395 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001173225660 797309336 /nfs/dbraw/zinc/30/93/36/797309336.db2.gz UIFBPJCNWQUYCG-LBPRGKRZSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001173233101 797312583 /nfs/dbraw/zinc/31/25/83/797312583.db2.gz HAKMAFPJHKJEDT-GFCCVEGCSA-N 1 0 326.418 2.083 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)n1)C(=O)C1([NH+](C)C)CCC1 ZINC001106873774 797632150 /nfs/dbraw/zinc/63/21/50/797632150.db2.gz BGZNGKRBSFGCMY-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO CCN(CCNc1ncc([N+](=O)[O-])cc1C)C(=O)C1([NH+](C)C)CCC1 ZINC001106874093 797633016 /nfs/dbraw/zinc/63/30/16/797633016.db2.gz QFBTUOKZSZIVEY-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cc1ccc(CCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002788164 798610644 /nfs/dbraw/zinc/61/06/44/798610644.db2.gz OCMRGCQRXNZAQE-QZTJIDSGSA-N 1 0 345.443 2.173 20 5 EEBDRO COc1cccc(-n2nc(-c3ccccc3)nc2CC[NH3+])c1[N+](=O)[O-] ZINC001168714582 799967731 /nfs/dbraw/zinc/96/77/31/799967731.db2.gz WYVYJZZMVZQLLB-UHFFFAOYSA-N 1 0 339.355 2.352 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001110265849 801085079 /nfs/dbraw/zinc/08/50/79/801085079.db2.gz BXMGTJFOTJGUOE-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168885334 803501287 /nfs/dbraw/zinc/50/12/87/803501287.db2.gz YJWLKDITGPQQKV-UHFFFAOYSA-N 1 0 340.343 2.013 20 5 EEBDRO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168991526 803558877 /nfs/dbraw/zinc/55/88/77/803558877.db2.gz HFYMIDKZHWRWBX-DZGCQCFKSA-N 1 0 332.404 2.134 20 5 EEBDRO COc1ccccc1Cn1cncc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997430 803563390 /nfs/dbraw/zinc/56/33/90/803563390.db2.gz ZILQEXLDPWNPAV-GOEBONIOSA-N 1 0 344.415 2.475 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001207 803566435 /nfs/dbraw/zinc/56/64/35/803566435.db2.gz DOMQYUPALAODLG-CRWXNKLISA-N 1 0 327.425 2.419 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034135 803578998 /nfs/dbraw/zinc/57/89/98/803578998.db2.gz FMAMLEJXFBMIHP-CJNGLKHVSA-N 1 0 335.379 2.029 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)C1 ZINC001169021995 803588446 /nfs/dbraw/zinc/58/84/46/803588446.db2.gz MCCFRAUDVFFDSV-AHCXZYCDSA-N 1 0 347.415 2.139 20 5 EEBDRO COc1cccc(OC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169051282 803595368 /nfs/dbraw/zinc/59/53/68/803595368.db2.gz CRBXLSRJRMKJLD-KGLIPLIRSA-N 1 0 335.404 2.379 20 5 EEBDRO COc1cc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ccn1 ZINC001169054995 803597124 /nfs/dbraw/zinc/59/71/24/803597124.db2.gz OXRYBAXEQOQZAS-UKRRQHHQSA-N 1 0 334.420 2.094 20 5 EEBDRO 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EEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237833935 283516985 /nfs/dbraw/zinc/51/69/85/283516985.db2.gz KALPJHHPHLSTNG-LDYMZIIASA-N 1 0 331.294 2.471 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193272840 240085278 /nfs/dbraw/zinc/08/52/78/240085278.db2.gz NPYXOAVWCXNPLN-NSHDSACASA-N 1 0 347.824 2.011 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193298037 240094376 /nfs/dbraw/zinc/09/43/76/240094376.db2.gz YLVZGAZGQGZOHE-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO COc1cc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422625929 240164716 /nfs/dbraw/zinc/16/47/16/240164716.db2.gz IFKGVJVKJVDUKS-CQSZACIVSA-N 1 0 341.367 2.442 20 5 EEBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000422626941 240164939 /nfs/dbraw/zinc/16/49/39/240164939.db2.gz MEAOXNMZLZGHRF-AWEZNQCLSA-N 1 0 340.383 2.313 20 5 EEBDRO COCC1(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000423647888 240560282 /nfs/dbraw/zinc/56/02/82/240560282.db2.gz IHDALCNIOPOZDN-UHFFFAOYSA-N 1 0 349.431 2.266 20 5 EEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000237099896 242482005 /nfs/dbraw/zinc/48/20/05/242482005.db2.gz DEMAACJNOVTHEA-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000076059080 216696829 /nfs/dbraw/zinc/69/68/29/216696829.db2.gz OWIPDUZWPKBSME-OAHLLOKOSA-N 1 0 335.404 2.377 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237668019 242747847 /nfs/dbraw/zinc/74/78/47/242747847.db2.gz JAQQJRPURBHEAM-KRWDZBQOSA-N 1 0 334.420 2.211 20 5 EEBDRO Cc1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000237733408 242774345 /nfs/dbraw/zinc/77/43/45/242774345.db2.gz JFSPRGXOMNASDO-UHFFFAOYSA-N 1 0 328.372 2.094 20 5 EEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238125753 242936155 /nfs/dbraw/zinc/93/61/55/242936155.db2.gz JDWWZAMLESIUPN-LLVKDONJSA-N 1 0 332.385 2.200 20 5 EEBDRO Nc1c(C(=O)NCC[NH2+]C2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000238062109 242918014 /nfs/dbraw/zinc/91/80/14/242918014.db2.gz BEZVSDJNLCOJOT-UHFFFAOYSA-N 1 0 338.383 2.358 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451699150 243210496 /nfs/dbraw/zinc/21/04/96/243210496.db2.gz UJILYQFOWGKSNG-WVZRYYJFSA-N 1 0 347.415 2.405 20 5 EEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000451772514 243254524 /nfs/dbraw/zinc/25/45/24/243254524.db2.gz ASZFRKJVZJQUHK-CABCVRRESA-N 1 0 340.420 2.063 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247087377 243371787 /nfs/dbraw/zinc/37/17/87/243371787.db2.gz PPAVKGSIQKPIIM-HIFRSBDPSA-N 1 0 332.404 2.454 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000456380933 244238260 /nfs/dbraw/zinc/23/82/60/244238260.db2.gz NNOSWGBBIMCHNN-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459752548 245237942 /nfs/dbraw/zinc/23/79/42/245237942.db2.gz IOWFDIJGZHJXGO-CABCVRRESA-N 1 0 333.388 2.471 20 5 EEBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459783504 245247115 /nfs/dbraw/zinc/24/71/15/245247115.db2.gz ZWPYZHVBGPOAMV-HUUCEWRRSA-N 1 0 333.388 2.471 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110966930 220086374 /nfs/dbraw/zinc/08/63/74/220086374.db2.gz UXVOAXFZQNCWLL-ZDUSSCGKSA-N 1 0 342.399 2.427 20 5 EEBDRO CN(CCNC(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000496127992 247335159 /nfs/dbraw/zinc/33/51/59/247335159.db2.gz JKPJTPRBPMSMLT-UHFFFAOYSA-N 1 0 325.365 2.257 20 5 EEBDRO Cc1ccnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000265260912 247348891 /nfs/dbraw/zinc/34/88/91/247348891.db2.gz SKJDWZHAXAQBPX-IYBDPMFKSA-N 1 0 347.463 2.293 20 5 EEBDRO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266523888 248344412 /nfs/dbraw/zinc/34/44/12/248344412.db2.gz JMNBSIYHHGROLA-OAHLLOKOSA-N 1 0 338.795 2.328 20 5 EEBDRO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266609209 248381561 /nfs/dbraw/zinc/38/15/61/248381561.db2.gz QUQNQRHSLRPDIX-YPMHNXCESA-N 1 0 338.795 2.499 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000160672965 255800007 /nfs/dbraw/zinc/80/00/07/255800007.db2.gz VLECOCZYSPSDNC-NSHDSACASA-N 1 0 332.385 2.152 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000174739081 285190466 /nfs/dbraw/zinc/19/04/66/285190466.db2.gz NSRMAGVOWFHSRT-AEFFLSMTSA-N 1 0 344.415 2.249 20 5 EEBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000269180474 255540746 /nfs/dbraw/zinc/54/07/46/255540746.db2.gz ICHROEXEPPNZQH-KGLIPLIRSA-N 1 0 334.420 2.291 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174805842 255845302 /nfs/dbraw/zinc/84/53/02/255845302.db2.gz WQCPEGYTHXBWAM-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117746348 221085465 /nfs/dbraw/zinc/08/54/65/221085465.db2.gz BBCFOXCUHFNPKS-UHFFFAOYSA-N 1 0 325.796 2.391 20 5 EEBDRO Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267117907 256029181 /nfs/dbraw/zinc/02/91/81/256029181.db2.gz AGZDSTGASBASRK-HNNXBMFYSA-N 1 0 338.433 2.462 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270359841 256126673 /nfs/dbraw/zinc/12/66/73/256126673.db2.gz BNAONDAZRCKROM-WBVHZDCISA-N 1 0 346.431 2.406 20 5 EEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000270644565 256156567 /nfs/dbraw/zinc/15/65/67/256156567.db2.gz ADAIAKAHVWOTLG-NSHDSACASA-N 1 0 341.433 2.013 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1[NH+](C)C ZINC000271122448 256210611 /nfs/dbraw/zinc/21/06/11/256210611.db2.gz LAIFHQNAIMXQSZ-ZIAGYGMSSA-N 1 0 348.428 2.194 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000119063447 221235921 /nfs/dbraw/zinc/23/59/21/221235921.db2.gz UFZXEFORQCYYJN-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)C1 ZINC000171694124 533223847 /nfs/dbraw/zinc/22/38/47/533223847.db2.gz TUZYDYHQCBUQKO-LLVKDONJSA-N 1 0 339.417 2.369 20 5 EEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000129444224 533397838 /nfs/dbraw/zinc/39/78/38/533397838.db2.gz LKHCCKXPYQAPCD-CYBMUJFWSA-N 1 0 349.412 2.224 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000173848095 152201803 /nfs/dbraw/zinc/20/18/03/152201803.db2.gz YYYRLHYGGRMCQP-DLBZAZTESA-N 1 0 346.431 2.116 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352224777 153013432 /nfs/dbraw/zinc/01/34/32/153013432.db2.gz CAGZZEYEEIBLDB-VIFPVBQESA-N 1 0 341.314 2.163 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354176366 153154036 /nfs/dbraw/zinc/15/40/36/153154036.db2.gz KBJJMYMUTIMGAW-VXGBXAGGSA-N 1 0 335.429 2.428 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000067286058 159009194 /nfs/dbraw/zinc/00/91/94/159009194.db2.gz NVSGGRRCOSZULD-AWEZNQCLSA-N 1 0 348.428 2.487 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106542558 159316704 /nfs/dbraw/zinc/31/67/04/159316704.db2.gz JMVPPMVILMEKOT-HNNXBMFYSA-N 1 0 346.431 2.453 20 5 EEBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[NH2+]CC1 ZINC000237880758 160226016 /nfs/dbraw/zinc/22/60/16/160226016.db2.gz LJKGRCPGYIQQDV-UHFFFAOYSA-N 1 0 327.340 2.433 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000248234079 160341288 /nfs/dbraw/zinc/34/12/88/160341288.db2.gz LVXKUYGELFXEJJ-UHFFFAOYSA-N 1 0 334.420 2.197 20 5 EEBDRO CC(=O)c1cc(N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000342151737 161043716 /nfs/dbraw/zinc/04/37/16/161043716.db2.gz GSSLQPRIYHXQFO-UHFFFAOYSA-N 1 0 335.404 2.344 20 5 EEBDRO Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342338401 161057403 /nfs/dbraw/zinc/05/74/03/161057403.db2.gz FAZHSCXGGGNJBY-UHFFFAOYSA-N 1 0 334.397 2.467 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccsc2)cc1 ZINC000342343734 161057807 /nfs/dbraw/zinc/05/78/07/161057807.db2.gz MPSDZVUBSDJRNS-UHFFFAOYSA-N 1 0 326.399 2.220 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344066308 161195344 /nfs/dbraw/zinc/19/53/44/161195344.db2.gz OUVYEWFKWYSWNJ-DZGBDDFRSA-N 1 0 344.371 2.409 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)[C@@H]3CCOC3)cs2)c1 ZINC000344482958 161232184 /nfs/dbraw/zinc/23/21/84/161232184.db2.gz KOXANVLUKBNQMV-DOMZBBRYSA-N 1 0 349.412 2.205 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000344864184 161252076 /nfs/dbraw/zinc/25/20/76/161252076.db2.gz LQGVKORNUZISHI-RKXUAZDKSA-N 1 0 347.415 2.224 20 5 EEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352679028 162241056 /nfs/dbraw/zinc/24/10/56/162241056.db2.gz YXSNGCYAZBRICK-GVSKICRLSA-N 1 0 345.399 2.197 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000352807207 162296081 /nfs/dbraw/zinc/29/60/81/162296081.db2.gz WQMIDUYOIBAJMO-GWCFXTLKSA-N 1 0 339.417 2.273 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000356268993 163386221 /nfs/dbraw/zinc/38/62/21/163386221.db2.gz STZJSDJVEZWUBW-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO Cn1cnc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358403928 163901099 /nfs/dbraw/zinc/90/10/99/163901099.db2.gz QEYZEKBTFBHUDX-HIFRSBDPSA-N 1 0 329.404 2.267 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(OCC[NH+](C)C)CC1 ZINC000360905268 164399376 /nfs/dbraw/zinc/39/93/76/164399376.db2.gz YPQDMCPOHJHNJZ-UHFFFAOYSA-N 1 0 335.404 2.344 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000375468963 167141604 /nfs/dbraw/zinc/14/16/04/167141604.db2.gz GRPZYSSHXKHYQC-DLBZAZTESA-N 1 0 349.431 2.336 20 5 EEBDRO COc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000376635847 167364654 /nfs/dbraw/zinc/36/46/54/167364654.db2.gz AZTDBDYRYSJMSK-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122486682 222097891 /nfs/dbraw/zinc/09/78/91/222097891.db2.gz PUUMPWYUWFMCRH-SNVBAGLBSA-N 1 0 342.193 2.181 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000274413424 269031353 /nfs/dbraw/zinc/03/13/53/269031353.db2.gz WGYRROFFGKKJNC-CQSZACIVSA-N 1 0 343.836 2.415 20 5 EEBDRO O=C(CC[N@@H+]1CCO[C@H]2CCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000275520782 269120819 /nfs/dbraw/zinc/12/08/19/269120819.db2.gz VGEDOYMYWCVEAL-CABCVRRESA-N 1 0 337.351 2.316 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275630650 269132091 /nfs/dbraw/zinc/13/20/91/269132091.db2.gz JQMNAHPVXSCVRV-HNNXBMFYSA-N 1 0 344.419 2.214 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc1 ZINC000277224649 269143959 /nfs/dbraw/zinc/14/39/59/269143959.db2.gz SDZPSVFYNYLZJI-OAHLLOKOSA-N 1 0 345.428 2.414 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000277357308 269149972 /nfs/dbraw/zinc/14/99/72/269149972.db2.gz BRLNFBIAZJNKSS-KCJUWKMLSA-N 1 0 342.193 2.085 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000277530743 269160318 /nfs/dbraw/zinc/16/03/18/269160318.db2.gz MLYLAQRYOBYOER-ZDUSSCGKSA-N 1 0 332.404 2.232 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000278920178 269251715 /nfs/dbraw/zinc/25/17/15/269251715.db2.gz UWCBPTMWCRWEDD-AWEZNQCLSA-N 1 0 347.415 2.229 20 5 EEBDRO COC[C@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261626157 274053127 /nfs/dbraw/zinc/05/31/27/274053127.db2.gz COSCIJIQWSKCLR-GFCCVEGCSA-N 1 0 334.298 2.189 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1SC ZINC000237120997 274088420 /nfs/dbraw/zinc/08/84/20/274088420.db2.gz XJMWPXSRRCTEHW-JTQLQIEISA-N 1 0 339.417 2.136 20 5 EEBDRO CC[C@H]([NH2+]C[C@H](O)CO[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000278342698 274349309 /nfs/dbraw/zinc/34/93/09/274349309.db2.gz MACRONZMNWLQOA-RCBQFDQVSA-N 1 0 326.393 2.048 20 5 EEBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000286213690 274848883 /nfs/dbraw/zinc/84/88/83/274848883.db2.gz QQDSBEXAHGVERE-CQSZACIVSA-N 1 0 339.392 2.193 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000286419751 274869946 /nfs/dbraw/zinc/86/99/46/274869946.db2.gz PFFOERJWSXUTNX-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288600232 275074460 /nfs/dbraw/zinc/07/44/60/275074460.db2.gz YPDGTBFCTGQYIZ-XHDPSFHLSA-N 1 0 348.359 2.202 20 5 EEBDRO COCCOCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000288786217 275085434 /nfs/dbraw/zinc/08/54/34/275085434.db2.gz JTXNURORAATKAQ-UHFFFAOYSA-N 1 0 347.209 2.452 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291621980 275323851 /nfs/dbraw/zinc/32/38/51/275323851.db2.gz CTWJIVDHRQBRDB-OALUTQOASA-N 1 0 342.395 2.264 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292159919 275386042 /nfs/dbraw/zinc/38/60/42/275386042.db2.gz JCGVBBZQEMETPS-MRXNPFEDSA-N 1 0 335.429 2.241 20 5 EEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000349218835 276328272 /nfs/dbraw/zinc/32/82/72/276328272.db2.gz PXWZNQLWQVNVBX-INIZCTEOSA-N 1 0 349.431 2.476 20 5 EEBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000120605517 276349981 /nfs/dbraw/zinc/34/99/81/276349981.db2.gz RMKDIQQAZFLMNC-LSDHHAIUSA-N 1 0 335.404 2.329 20 5 EEBDRO CCOc1cccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000368139073 276381245 /nfs/dbraw/zinc/38/12/45/276381245.db2.gz MZIDRLRZGCZHGA-ZFWWWQNUSA-N 1 0 335.404 2.029 20 5 EEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)[NH+](C)C ZINC000357859184 292688468 /nfs/dbraw/zinc/68/84/68/292688468.db2.gz HKQSOFRQJGQCFH-LRDDRELGSA-N 1 0 345.403 2.058 20 5 EEBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293663155 293264064 /nfs/dbraw/zinc/26/40/64/293264064.db2.gz JMWSHFFGQXUPNL-AWEZNQCLSA-N 1 0 347.415 2.306 20 5 EEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294691733 293519428 /nfs/dbraw/zinc/51/94/28/293519428.db2.gz KQBMVLFSFFYLRU-UHFFFAOYSA-N 1 0 337.420 2.079 20 5 EEBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296283965 293935459 /nfs/dbraw/zinc/93/54/59/293935459.db2.gz OXCLEYNIERQSHI-APHBMKBZSA-N 1 0 336.388 2.385 20 5 EEBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296715294 294048268 /nfs/dbraw/zinc/04/82/68/294048268.db2.gz MKHGOTKNTVZBSI-CQSZACIVSA-N 1 0 346.431 2.340 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411956741 294107991 /nfs/dbraw/zinc/10/79/91/294107991.db2.gz AJRPHOFRGGBRSX-QEORTHHSSA-N 1 0 338.404 2.128 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297795135 294342852 /nfs/dbraw/zinc/34/28/52/294342852.db2.gz XSUNEOAYNLGPEV-BJJXKVORSA-N 1 0 332.404 2.391 20 5 EEBDRO Cc1cc(N2CCCO[C@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420289898 301334870 /nfs/dbraw/zinc/33/48/70/301334870.db2.gz UTSCXANAYGWHFM-SNVBAGLBSA-N 1 0 333.310 2.476 20 5 EEBDRO Cc1c(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332570654 312027039 /nfs/dbraw/zinc/02/70/39/312027039.db2.gz WFCXQEBLPOURIX-DOMZBBRYSA-N 1 0 332.404 2.281 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1C ZINC000349782455 312309102 /nfs/dbraw/zinc/30/91/02/312309102.db2.gz JJWYELBURMWSAF-LBPRGKRZSA-N 1 0 343.449 2.219 20 5 EEBDRO CO[C@@](C)([C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411935256 312590509 /nfs/dbraw/zinc/59/05/09/312590509.db2.gz BFKHROBTJXETSB-MJEQTWJJSA-N 1 0 338.404 2.128 20 5 EEBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000420305750 313944190 /nfs/dbraw/zinc/94/41/90/313944190.db2.gz ZIMLAOJQOCYABE-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000421013043 314024332 /nfs/dbraw/zinc/02/43/32/314024332.db2.gz UPAPDELBJTXOHW-OAHLLOKOSA-N 1 0 334.420 2.258 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421679487 314140421 /nfs/dbraw/zinc/14/04/21/314140421.db2.gz KVZHBKRKSGSULD-UHFFFAOYSA-N 1 0 331.376 2.074 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430639219 314563031 /nfs/dbraw/zinc/56/30/31/314563031.db2.gz OPJWBZVYWIJOCT-BXUZGUMPSA-N 1 0 331.376 2.347 20 5 EEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441605982 315189088 /nfs/dbraw/zinc/18/90/88/315189088.db2.gz XFXYONUAUWRZEK-STQMWFEESA-N 1 0 334.420 2.156 20 5 EEBDRO C[C@@H](CC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449142995 315422932 /nfs/dbraw/zinc/42/29/32/315422932.db2.gz PHOSXXLMRPVAMN-LBPRGKRZSA-N 1 0 343.449 2.287 20 5 EEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000515187870 316468772 /nfs/dbraw/zinc/46/87/72/316468772.db2.gz DLMRZAUJTFSREI-WBVHZDCISA-N 1 0 330.388 2.128 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000548497449 318392376 /nfs/dbraw/zinc/39/23/76/318392376.db2.gz OWZLTPCYDCXSQG-UHFFFAOYSA-N 1 0 343.387 2.071 20 5 EEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000577458626 320255961 /nfs/dbraw/zinc/25/59/61/320255961.db2.gz WUCITXBFCIIACQ-NSHDSACASA-N 1 0 337.351 2.053 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000577854485 320280196 /nfs/dbraw/zinc/28/01/96/320280196.db2.gz OKYZSKFOLAMPBT-AWEZNQCLSA-N 1 0 333.432 2.482 20 5 EEBDRO C[N@H+](CCC1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996897 323361283 /nfs/dbraw/zinc/36/12/83/323361283.db2.gz DSYJHGDIDPWRSB-HNNXBMFYSA-N 1 0 338.404 2.083 20 5 EEBDRO COCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000580710217 324116471 /nfs/dbraw/zinc/11/64/71/324116471.db2.gz QSAYFBRCRGLEOQ-AWEZNQCLSA-N 1 0 338.404 2.131 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000192813414 465004302 /nfs/dbraw/zinc/00/43/02/465004302.db2.gz YBWRVEPDJKJVFN-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO Cn1cc(-c2ncc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cn2)cn1 ZINC000354588354 465039958 /nfs/dbraw/zinc/03/99/58/465039958.db2.gz WFJUOXSFFDNDJO-UHFFFAOYSA-N 1 0 338.371 2.118 20 5 EEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358388480 465094890 /nfs/dbraw/zinc/09/48/90/465094890.db2.gz DRLNPOPPVYIBNN-SWLSCSKDSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358388473 465095019 /nfs/dbraw/zinc/09/50/19/465095019.db2.gz DRLNPOPPVYIBNN-DOMZBBRYSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351518729 465198501 /nfs/dbraw/zinc/19/85/01/465198501.db2.gz SUFNBFCVLLKNTC-CJNGLKHVSA-N 1 0 332.360 2.286 20 5 EEBDRO COc1c(C(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000356324670 465312518 /nfs/dbraw/zinc/31/25/18/465312518.db2.gz ZWTAAUXEEDCSNE-UHFFFAOYSA-N 1 0 347.371 2.400 20 5 EEBDRO CCOc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046878213 462713946 /nfs/dbraw/zinc/71/39/46/462713946.db2.gz XYBKAZWCIHKQDU-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000154017529 462721621 /nfs/dbraw/zinc/72/16/21/462721621.db2.gz ZRICPHKCMWGELF-RKDXNWHRSA-N 1 0 331.294 2.436 20 5 EEBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907758 462739960 /nfs/dbraw/zinc/73/99/60/462739960.db2.gz ZWOPSDOXUWGTJW-GFCCVEGCSA-N 1 0 344.371 2.337 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090008674 462765773 /nfs/dbraw/zinc/76/57/73/462765773.db2.gz GCNHVVFHICEQNU-INIZCTEOSA-N 1 0 333.388 2.343 20 5 EEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000008222211 462773908 /nfs/dbraw/zinc/77/39/08/462773908.db2.gz FWCKMAHZFQNHPP-OLZOCXBDSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000008222205 462774147 /nfs/dbraw/zinc/77/41/47/462774147.db2.gz RJTYMWMFKQKOKE-OLZOCXBDSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCOC2=O)c1 ZINC000090539842 462796585 /nfs/dbraw/zinc/79/65/85/462796585.db2.gz QIHDWZGQFQEDAU-LBPRGKRZSA-N 1 0 345.359 2.099 20 5 EEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000132471172 462858984 /nfs/dbraw/zinc/85/89/84/462858984.db2.gz VYZTXJLXDYGFMP-DYVFJYSZSA-N 1 0 346.431 2.391 20 5 EEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133481104 462937298 /nfs/dbraw/zinc/93/72/98/462937298.db2.gz FZMADCBCDFPFQL-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000155810803 462945881 /nfs/dbraw/zinc/94/58/81/462945881.db2.gz BDYOQHHFSDJAEP-CYBMUJFWSA-N 1 0 344.415 2.467 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120126046 462964799 /nfs/dbraw/zinc/96/47/99/462964799.db2.gz PRJGMZBLSVYGCS-INIZCTEOSA-N 1 0 331.416 2.472 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156145330 462985198 /nfs/dbraw/zinc/98/51/98/462985198.db2.gz BQBZWXQYOXCNBM-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067735915 463045164 /nfs/dbraw/zinc/04/51/64/463045164.db2.gz GYNODZIOBLFYCR-LBPRGKRZSA-N 1 0 336.392 2.455 20 5 EEBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000024927812 463102556 /nfs/dbraw/zinc/10/25/56/463102556.db2.gz DQJVREDVYGPEDO-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135452268 463159106 /nfs/dbraw/zinc/15/91/06/463159106.db2.gz UNFSNPKCXPHGKZ-KBPBESRZSA-N 1 0 326.418 2.162 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000158320314 463226576 /nfs/dbraw/zinc/22/65/76/463226576.db2.gz RESVWJRFJOSRRQ-DZGCQCFKSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895813 463258523 /nfs/dbraw/zinc/25/85/23/463258523.db2.gz ONIOEAKCCBPQHZ-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000080008276 463271648 /nfs/dbraw/zinc/27/16/48/463271648.db2.gz LXIWAFDXHRIPGA-CHWSQXEVSA-N 1 0 332.404 2.439 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000080552280 463331137 /nfs/dbraw/zinc/33/11/37/463331137.db2.gz UMMWRFDEOJNLBM-UHFFFAOYSA-N 1 0 346.431 2.038 20 5 EEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000080676835 463346502 /nfs/dbraw/zinc/34/65/02/463346502.db2.gz PDYBHRGFEBNFEG-LLVKDONJSA-N 1 0 336.783 2.335 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000160830809 463374689 /nfs/dbraw/zinc/37/46/89/463374689.db2.gz JNKCXZDWQNMDBP-BDAKNGLRSA-N 1 0 342.193 2.357 20 5 EEBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144585425 463376567 /nfs/dbraw/zinc/37/65/67/463376567.db2.gz ASHMTOFZPSHGCV-BBRMVZONSA-N 1 0 349.431 2.266 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070791829 463385814 /nfs/dbraw/zinc/38/58/14/463385814.db2.gz JAKMPSBZFHOOSQ-LLVKDONJSA-N 1 0 339.421 2.073 20 5 EEBDRO Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000161218797 463411359 /nfs/dbraw/zinc/41/13/59/463411359.db2.gz QXNDHLKUBBUHRS-CYBMUJFWSA-N 1 0 326.356 2.307 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150827100 463435585 /nfs/dbraw/zinc/43/55/85/463435585.db2.gz NBGBSMWKIYTSFB-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000150840363 463437611 /nfs/dbraw/zinc/43/76/11/463437611.db2.gz HCKPCBGOLMHDBE-UHFFFAOYSA-N 1 0 342.355 2.008 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1SC ZINC000161686915 463449127 /nfs/dbraw/zinc/44/91/27/463449127.db2.gz CFDNKDYTKILTMH-ZJUUUORDSA-N 1 0 339.417 2.325 20 5 EEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162281358 463497589 /nfs/dbraw/zinc/49/75/89/463497589.db2.gz XNSLGLSPBRMHOL-RYUDHWBXSA-N 1 0 341.795 2.403 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000125137433 463507596 /nfs/dbraw/zinc/50/75/96/463507596.db2.gz PFQMAXMJRQNPNW-OAHLLOKOSA-N 1 0 328.372 2.213 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@H+](CC4CC4)C3)cc2N1 ZINC000108350308 463602292 /nfs/dbraw/zinc/60/22/92/463602292.db2.gz YQBDSXXNMQGSEX-ZDUSSCGKSA-N 1 0 330.388 2.376 20 5 EEBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000126828203 463665369 /nfs/dbraw/zinc/66/53/69/463665369.db2.gz QYPAEBUDNKRTJH-LLVKDONJSA-N 1 0 349.416 2.021 20 5 EEBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000184972444 463727509 /nfs/dbraw/zinc/72/75/09/463727509.db2.gz DCZZDVHGMZQGEP-KFWWJZLASA-N 1 0 344.415 2.004 20 5 EEBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171098422 463785055 /nfs/dbraw/zinc/78/50/55/463785055.db2.gz MDOVXJNJWKBXLE-UHFFFAOYSA-N 1 0 336.392 2.217 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000283247056 463818307 /nfs/dbraw/zinc/81/83/07/463818307.db2.gz VCXTZJNYLBCQQZ-NEPJUHHUSA-N 1 0 340.376 2.160 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287219852 463837155 /nfs/dbraw/zinc/83/71/55/463837155.db2.gz QEEFFRZLPKSLPM-NEPJUHHUSA-N 1 0 335.408 2.140 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261718073 463837695 /nfs/dbraw/zinc/83/76/95/463837695.db2.gz KWKHTQCIGRXSBB-WBVHZDCISA-N 1 0 325.368 2.409 20 5 EEBDRO Cn1cc(-c2nc(C3([NH3+])CCC3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261891770 463889934 /nfs/dbraw/zinc/88/99/34/463889934.db2.gz XODJYLVUHKAXII-UHFFFAOYSA-N 1 0 340.343 2.383 20 5 EEBDRO CCOC(=O)c1cc(NCCC[N@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000277170514 463896891 /nfs/dbraw/zinc/89/68/91/463896891.db2.gz ULUONANEGIRLFY-UHFFFAOYSA-N 1 0 339.392 2.152 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277178072 463899596 /nfs/dbraw/zinc/89/95/96/463899596.db2.gz LDFFQGWZPRDVOX-DZGCQCFKSA-N 1 0 334.420 2.338 20 5 EEBDRO O=C([C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287508312 463909453 /nfs/dbraw/zinc/90/94/53/463909453.db2.gz UJDMQHVDCCHSKI-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000287565579 463929417 /nfs/dbraw/zinc/92/94/17/463929417.db2.gz QJNJJVNGMBWIAO-GXTWGEPZSA-N 1 0 343.387 2.101 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000194925860 463960214 /nfs/dbraw/zinc/96/02/14/463960214.db2.gz DPJSAIPSUBUGKH-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262161936 463961215 /nfs/dbraw/zinc/96/12/15/463961215.db2.gz JGEYFRBXGJNDJC-QGZVFWFLSA-N 1 0 345.403 2.274 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262200170 463971224 /nfs/dbraw/zinc/97/12/24/463971224.db2.gz KJJROWYVKATFNB-LSDHHAIUSA-N 1 0 346.431 2.151 20 5 EEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283987536 464059691 /nfs/dbraw/zinc/05/96/91/464059691.db2.gz MZGGLLPZGKHXQQ-UHFFFAOYSA-N 1 0 338.383 2.120 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000269783483 464092798 /nfs/dbraw/zinc/09/27/98/464092798.db2.gz HDAQIDQQBYGMTD-KBPBESRZSA-N 1 0 335.404 2.467 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000172839718 464152003 /nfs/dbraw/zinc/15/20/03/464152003.db2.gz BLDYXTMOSILGFE-LBPRGKRZSA-N 1 0 337.424 2.217 20 5 EEBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237106304 464265895 /nfs/dbraw/zinc/26/58/95/464265895.db2.gz HCLPLVBTZGQQFF-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO Cn1cc(C[NH2+]C2CCN(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237167725 464276748 /nfs/dbraw/zinc/27/67/48/464276748.db2.gz AYVVZQQLGPZLNC-UHFFFAOYSA-N 1 0 329.404 2.179 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000281096271 464330217 /nfs/dbraw/zinc/33/02/17/464330217.db2.gz DUBUPMJJWRQWCQ-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180563749 464337244 /nfs/dbraw/zinc/33/72/44/464337244.db2.gz OCGNSVMPPDDPQD-LBPRGKRZSA-N 1 0 349.435 2.202 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173965469 464341282 /nfs/dbraw/zinc/34/12/82/464341282.db2.gz ZYIYDEXFOXUOHE-DOMZBBRYSA-N 1 0 343.387 2.175 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC000173986784 464346214 /nfs/dbraw/zinc/34/62/14/464346214.db2.gz FBLYYPOQPSNZGL-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000188855959 464384068 /nfs/dbraw/zinc/38/40/68/464384068.db2.gz LMQXMHAWHLEFGP-AWEZNQCLSA-N 1 0 349.435 2.051 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000293346754 464401843 /nfs/dbraw/zinc/40/18/43/464401843.db2.gz ZBIXSLQTNXDIHD-AWEZNQCLSA-N 1 0 335.404 2.326 20 5 EEBDRO [NH3+]Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000237955235 464410399 /nfs/dbraw/zinc/41/03/99/464410399.db2.gz KOQYSHLHZRPKDU-UHFFFAOYSA-N 1 0 340.383 2.016 20 5 EEBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc2ccccc2c2cccnc12 ZINC000238033895 464422103 /nfs/dbraw/zinc/42/21/03/464422103.db2.gz XSOGOJZFFMZVGJ-UHFFFAOYSA-N 1 0 348.450 2.413 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000294310856 464462472 /nfs/dbraw/zinc/46/24/72/464462472.db2.gz WKKWJDFJTDYHAY-INIZCTEOSA-N 1 0 348.359 2.061 20 5 EEBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CC[NH+](C)CC1 ZINC000264798753 464470077 /nfs/dbraw/zinc/47/00/77/464470077.db2.gz CAFAVRBBAXSHQY-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO COC(=O)c1cnc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000189326813 464477193 /nfs/dbraw/zinc/47/71/93/464477193.db2.gz SWVDHYZVXLPXOT-ZDUSSCGKSA-N 1 0 336.392 2.087 20 5 EEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000281599463 464517805 /nfs/dbraw/zinc/51/78/05/464517805.db2.gz RTBVDZOTTQPUMN-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294505323 464518768 /nfs/dbraw/zinc/51/87/68/464518768.db2.gz SFFXUONGJOXYQE-UHFFFAOYSA-N 1 0 339.367 2.345 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175396419 464540785 /nfs/dbraw/zinc/54/07/85/464540785.db2.gz HLHHFCQIRFWVJC-AWEZNQCLSA-N 1 0 341.433 2.008 20 5 EEBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2F)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265479613 464574608 /nfs/dbraw/zinc/57/46/08/464574608.db2.gz RXVOOFAQRJCROY-SECBINFHSA-N 1 0 337.380 2.481 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000182136857 464579976 /nfs/dbraw/zinc/57/99/76/464579976.db2.gz ULEGJTPTJAQKFO-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175749185 464615509 /nfs/dbraw/zinc/61/55/09/464615509.db2.gz AUTJMQWGDBQNHC-MRXNPFEDSA-N 1 0 335.404 2.004 20 5 EEBDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000282229277 464745005 /nfs/dbraw/zinc/74/50/05/464745005.db2.gz ZFJMYGGIXZROKX-LBPRGKRZSA-N 1 0 349.387 2.339 20 5 EEBDRO COCCOCCOCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276158340 464828931 /nfs/dbraw/zinc/82/89/31/464828931.db2.gz HIRNOJCUEKLXKD-AWEZNQCLSA-N 1 0 326.393 2.267 20 5 EEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC2(CC[NH2+]C2)CC1 ZINC000295599821 464897078 /nfs/dbraw/zinc/89/70/78/464897078.db2.gz FQFKZJOPJPJKJC-UHFFFAOYSA-N 1 0 340.383 2.359 20 5 EEBDRO CCC[C@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000295753360 464953217 /nfs/dbraw/zinc/95/32/17/464953217.db2.gz OALLMJNRAWJVRI-AWEZNQCLSA-N 1 0 347.419 2.144 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286653651 464993766 /nfs/dbraw/zinc/99/37/66/464993766.db2.gz BVELPZPWZVLDSI-KBPBESRZSA-N 1 0 333.388 2.059 20 5 EEBDRO CC[C@@H](C)[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286730774 465016933 /nfs/dbraw/zinc/01/69/33/465016933.db2.gz BORHHSUILNZFDR-LLVKDONJSA-N 1 0 327.356 2.155 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599988969 468429679 /nfs/dbraw/zinc/42/96/79/468429679.db2.gz PVYKRVKXNZIYPO-RABLLNBGSA-N 1 0 335.429 2.094 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000579921645 468433768 /nfs/dbraw/zinc/43/37/68/468433768.db2.gz UUEYCHFDGMNBLO-ZDUSSCGKSA-N 1 0 335.404 2.089 20 5 EEBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593919637 468434448 /nfs/dbraw/zinc/43/44/48/468434448.db2.gz WEABOZOKWLUSHS-UHFFFAOYSA-N 1 0 346.431 2.315 20 5 EEBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000298720432 465482840 /nfs/dbraw/zinc/48/28/40/465482840.db2.gz NVPDYMRRQOYHOS-KGLIPLIRSA-N 1 0 339.417 2.037 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000359816070 465492424 /nfs/dbraw/zinc/49/24/24/465492424.db2.gz VWFBFEGHGKKTPX-ZFWWWQNUSA-N 1 0 342.399 2.326 20 5 EEBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298863701 465527851 /nfs/dbraw/zinc/52/78/51/465527851.db2.gz DNIYWQOCNDCGBG-UHFFFAOYSA-N 1 0 328.372 2.101 20 5 EEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000360232688 465545202 /nfs/dbraw/zinc/54/52/02/465545202.db2.gz CHQGWIITVOPKNL-GFCCVEGCSA-N 1 0 349.412 2.354 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298944950 465547060 /nfs/dbraw/zinc/54/70/60/465547060.db2.gz RBCFMMSLXCHCPN-GJZGRUSLSA-N 1 0 348.403 2.029 20 5 EEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352816663 465558879 /nfs/dbraw/zinc/55/88/79/465558879.db2.gz PVDBQKCYYGTBAT-GBIKHYSHSA-N 1 0 339.417 2.272 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353110785 465646896 /nfs/dbraw/zinc/64/68/96/465646896.db2.gz MIKQBDHTADWOMO-WBMJQRKESA-N 1 0 335.404 2.386 20 5 EEBDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348519079 465647061 /nfs/dbraw/zinc/64/70/61/465647061.db2.gz AEURLKGZPYGWKD-CHWSQXEVSA-N 1 0 343.330 2.308 20 5 EEBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362363635 465682476 /nfs/dbraw/zinc/68/24/76/465682476.db2.gz DBNRJBVIEVNUJO-UHFFFAOYSA-N 1 0 348.378 2.786 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360997523 465692450 /nfs/dbraw/zinc/69/24/50/465692450.db2.gz WVTOMTWYOZJESG-ZDUSSCGKSA-N 1 0 337.424 2.032 20 5 EEBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000299320431 465695404 /nfs/dbraw/zinc/69/54/04/465695404.db2.gz FCJHKVNUAZVGTE-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330615628 465732483 /nfs/dbraw/zinc/73/24/83/465732483.db2.gz UUBMJSKVTYDZCC-GHMZBOCLSA-N 1 0 325.796 2.342 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081067 465752715 /nfs/dbraw/zinc/75/27/15/465752715.db2.gz PPFQKDLEPSJLLI-DLBZAZTESA-N 1 0 346.431 2.291 20 5 EEBDRO COc1ccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107994 465768269 /nfs/dbraw/zinc/76/82/69/465768269.db2.gz BOSGBIYZSPSFLR-CXAGYDPISA-N 1 0 336.388 2.373 20 5 EEBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299590020 465814972 /nfs/dbraw/zinc/81/49/72/465814972.db2.gz ZGSCNHZAVFADRK-QWRGUYRKSA-N 1 0 337.424 2.113 20 5 EEBDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000338184961 465883444 /nfs/dbraw/zinc/88/34/44/465883444.db2.gz KLLKQFBXUXAKAL-UHFFFAOYSA-N 1 0 329.356 2.009 20 5 EEBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340252072 465922575 /nfs/dbraw/zinc/92/25/75/465922575.db2.gz RZQFPAUSQAAOCJ-OAHLLOKOSA-N 1 0 342.399 2.217 20 5 EEBDRO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000353498360 465932787 /nfs/dbraw/zinc/93/27/87/465932787.db2.gz RDIBCNSIHPHDEO-YOEHRIQHSA-N 1 0 341.415 2.244 20 5 EEBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000353535673 465959572 /nfs/dbraw/zinc/95/95/72/465959572.db2.gz WNYRHXPRZMYKOS-FRFSOERESA-N 1 0 343.431 2.490 20 5 EEBDRO C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301490812 465971976 /nfs/dbraw/zinc/97/19/76/465971976.db2.gz BCCUMBSGHPSUHP-UHFFFAOYSA-N 1 0 329.198 2.283 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301688000 466010074 /nfs/dbraw/zinc/01/00/74/466010074.db2.gz WINUFXHWOLBAAT-CYBMUJFWSA-N 1 0 348.451 2.448 20 5 EEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000346229229 466011524 /nfs/dbraw/zinc/01/15/24/466011524.db2.gz RVBBDTVLMWSQQC-VIFPVBQESA-N 1 0 349.309 2.216 20 5 EEBDRO CC(C)(C)Oc1cc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC000357447723 466045448 /nfs/dbraw/zinc/04/54/48/466045448.db2.gz YRIVGNVUORPRJD-UHFFFAOYSA-N 1 0 337.420 2.323 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361497719 466047824 /nfs/dbraw/zinc/04/78/24/466047824.db2.gz QGNZDQDZBANZRE-CYBMUJFWSA-N 1 0 335.404 2.325 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302660406 466163065 /nfs/dbraw/zinc/16/30/65/466163065.db2.gz AVYFQNQEYVMYDK-VXGBXAGGSA-N 1 0 336.392 2.309 20 5 EEBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000362998094 466168023 /nfs/dbraw/zinc/16/80/23/466168023.db2.gz QWCSQJDMNBFKOS-HNNXBMFYSA-N 1 0 347.415 2.451 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000346830807 466184017 /nfs/dbraw/zinc/18/40/17/466184017.db2.gz PDPSBJNKFLYSQF-OASPWFOLSA-N 1 0 327.331 2.365 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000340900947 466419584 /nfs/dbraw/zinc/41/95/84/466419584.db2.gz JGEDEYXJYNUBJU-GFCCVEGCSA-N 1 0 325.413 2.032 20 5 EEBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144918 466493463 /nfs/dbraw/zinc/49/34/63/466493463.db2.gz VCRWNEBCECUXNT-QGZVFWFLSA-N 1 0 331.372 2.011 20 5 EEBDRO COC(=O)c1cnc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358150400 466496823 /nfs/dbraw/zinc/49/68/23/466496823.db2.gz MZYWVOXEIJOWDJ-VXGBXAGGSA-N 1 0 336.392 2.451 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358187733 466523719 /nfs/dbraw/zinc/52/37/19/466523719.db2.gz ZWSUTXSGHGZIQD-WBMJQRKESA-N 1 0 333.388 2.025 20 5 EEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000347360142 466589182 /nfs/dbraw/zinc/58/91/82/466589182.db2.gz OPAWHWJZHMTLFO-KAMYIIQDSA-N 1 0 344.415 2.488 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000322295097 466630915 /nfs/dbraw/zinc/63/09/15/466630915.db2.gz TWIMDMKYPLIWKF-NXEZZACHSA-N 1 0 325.315 2.230 20 5 EEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484371 466647031 /nfs/dbraw/zinc/64/70/31/466647031.db2.gz SKCOFWQPHXAJQZ-COXVUDFISA-N 1 0 337.395 2.417 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423282051 466710447 /nfs/dbraw/zinc/71/04/47/466710447.db2.gz WHNFUJWRQCQINU-YOEHRIQHSA-N 1 0 343.431 2.397 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000365177843 466734720 /nfs/dbraw/zinc/73/47/20/466734720.db2.gz LWILRFVDLYXUDT-YOEHRIQHSA-N 1 0 333.388 2.389 20 5 EEBDRO [NH3+]C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000423507135 466761658 /nfs/dbraw/zinc/76/16/58/466761658.db2.gz JEJDQFUQEOUYGP-UHFFFAOYSA-N 1 0 329.809 2.338 20 5 EEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719267 466813022 /nfs/dbraw/zinc/81/30/22/466813022.db2.gz FAYWQXJVNLXXHS-CYBMUJFWSA-N 1 0 331.376 2.707 20 5 EEBDRO Cc1c(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423816071 466852275 /nfs/dbraw/zinc/85/22/75/466852275.db2.gz XIJWIGOHZIWLAD-LJQANCHMSA-N 1 0 339.395 2.451 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000373583101 466854893 /nfs/dbraw/zinc/85/48/93/466854893.db2.gz PGBRRGQHMQKRNG-QGZVFWFLSA-N 1 0 328.372 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365601884 466877647 /nfs/dbraw/zinc/87/76/47/466877647.db2.gz QZOSVXNRDFGWNJ-RDJZCZTQSA-N 1 0 337.395 2.467 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424037234 466959985 /nfs/dbraw/zinc/95/99/85/466959985.db2.gz IXDGKEXWQALQQN-GOEBONIOSA-N 1 0 343.358 2.230 20 5 EEBDRO COC1([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000412025225 466968660 /nfs/dbraw/zinc/96/86/60/466968660.db2.gz PLOYMHGTZBTXJS-GFCCVEGCSA-N 1 0 333.388 2.031 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412163066 467029493 /nfs/dbraw/zinc/02/94/93/467029493.db2.gz CHGLIIJUOIWUOZ-IXDOHACOSA-N 1 0 349.431 2.171 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418286851 467088110 /nfs/dbraw/zinc/08/81/10/467088110.db2.gz SDMCQRORSGFMFN-UHFFFAOYSA-N 1 0 332.404 2.411 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418441498 467111665 /nfs/dbraw/zinc/11/16/65/467111665.db2.gz RSKNJQLFTCYYKL-UHFFFAOYSA-N 1 0 336.392 2.016 20 5 EEBDRO C[NH+](C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1F ZINC000413301525 467210557 /nfs/dbraw/zinc/21/05/57/467210557.db2.gz PEGYAXZZOTYNCP-UHFFFAOYSA-N 1 0 335.339 2.076 20 5 EEBDRO Cc1cn2c(n1)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378243501 467240161 /nfs/dbraw/zinc/24/01/61/467240161.db2.gz GWRUUFMUYYYBDG-ZDUSSCGKSA-N 1 0 344.371 2.172 20 5 EEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000432855822 467269699 /nfs/dbraw/zinc/26/96/99/467269699.db2.gz TWZIJOZPOCTZQC-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000420286932 467338866 /nfs/dbraw/zinc/33/88/66/467338866.db2.gz HBLDEVNZPDCQHI-YGRLFVJLSA-N 1 0 340.811 2.246 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3CCCC[N@@H+]3C3CC3)n2)cc1 ZINC000433810539 467355023 /nfs/dbraw/zinc/35/50/23/467355023.db2.gz KTZHBTSVDGAHJF-HNNXBMFYSA-N 1 0 343.387 3.074 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420373930 467383249 /nfs/dbraw/zinc/38/32/49/467383249.db2.gz ZPJRXFLWBAHYGO-ZDUSSCGKSA-N 1 0 331.376 2.123 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1C ZINC000420442903 467409473 /nfs/dbraw/zinc/40/94/73/467409473.db2.gz KXQJIHJBECFWOF-ZDUSSCGKSA-N 1 0 341.433 2.022 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430575004 467444458 /nfs/dbraw/zinc/44/44/58/467444458.db2.gz UIOYGDCLKOZNDD-YPMHNXCESA-N 1 0 331.376 2.204 20 5 EEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435624960 467482757 /nfs/dbraw/zinc/48/27/57/467482757.db2.gz YXODKPQBALFNEG-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415293152 467536768 /nfs/dbraw/zinc/53/67/68/467536768.db2.gz IIFPMYSYCUWFNL-RYUDHWBXSA-N 1 0 336.392 2.446 20 5 EEBDRO O=C1CCCCN1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533351 467587841 /nfs/dbraw/zinc/58/78/41/467587841.db2.gz QYGBKRSKPHTIPQ-GJZGRUSLSA-N 1 0 349.435 2.267 20 5 EEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000449579096 467665983 /nfs/dbraw/zinc/66/59/83/467665983.db2.gz WZFBLIJHMMVLMW-AWEZNQCLSA-N 1 0 327.384 2.432 20 5 EEBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449585027 467666589 /nfs/dbraw/zinc/66/65/89/467666589.db2.gz KMGAKSZZZJKQJD-OLZOCXBDSA-N 1 0 345.403 2.266 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449711284 467697494 /nfs/dbraw/zinc/69/74/94/467697494.db2.gz CZFRUHAHCIDUCC-UMNHJUIQSA-N 1 0 341.795 2.259 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457214449 467778925 /nfs/dbraw/zinc/77/89/25/467778925.db2.gz WPIFJJCMPIHEIY-UHFFFAOYSA-N 1 0 343.811 2.474 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000492921880 467795476 /nfs/dbraw/zinc/79/54/76/467795476.db2.gz MFLSJWSUFRXHOL-MAVJXHJTSA-N 1 0 333.363 2.301 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493800179 467985686 /nfs/dbraw/zinc/98/56/86/467985686.db2.gz YYRJRVLYDUMXLP-JSGCOSHPSA-N 1 0 338.314 2.226 20 5 EEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000515466932 467993518 /nfs/dbraw/zinc/99/35/18/467993518.db2.gz FVZHHMLXFNIGFE-LLVKDONJSA-N 1 0 344.209 2.461 20 5 EEBDRO COc1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000530866805 468013613 /nfs/dbraw/zinc/01/36/13/468013613.db2.gz FWRRXFCFKNWTFW-CQSZACIVSA-N 1 0 330.388 2.402 20 5 EEBDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000516175118 468016975 /nfs/dbraw/zinc/01/69/75/468016975.db2.gz DUYCQAMWFRHOBJ-CQSZACIVSA-N 1 0 344.433 2.019 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531540378 468058781 /nfs/dbraw/zinc/05/87/81/468058781.db2.gz FSFGFZPKCNECTB-GFCCVEGCSA-N 1 0 349.387 2.031 20 5 EEBDRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000519517414 468164417 /nfs/dbraw/zinc/16/44/17/468164417.db2.gz DFIFTXXKEQEMPY-YOEHRIQHSA-N 1 0 349.431 2.051 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600313034 468530048 /nfs/dbraw/zinc/53/00/48/468530048.db2.gz HEFNKWRLRLKTEA-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO [NH3+]C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600726521 468637075 /nfs/dbraw/zinc/63/70/75/468637075.db2.gz LTEKHGGTZTUORR-BXUZGUMPSA-N 1 0 347.337 2.433 20 5 EEBDRO CNc1c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597710848 468647382 /nfs/dbraw/zinc/64/73/82/468647382.db2.gz PGSUBJBUMZJTMJ-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCCC1 ZINC000592276070 468669360 /nfs/dbraw/zinc/66/93/60/468669360.db2.gz OQACHYMALPTAQD-UHFFFAOYSA-N 1 0 349.387 2.318 20 5 EEBDRO Cn1cc(-c2nc([C@H]3CCC[NH2+]3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592356694 468682051 /nfs/dbraw/zinc/68/20/51/468682051.db2.gz FTWQEOHFEYIJRP-CYBMUJFWSA-N 1 0 340.343 2.470 20 5 EEBDRO CCOc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])cc1OC ZINC000592356957 468682383 /nfs/dbraw/zinc/68/23/83/468682383.db2.gz NEUMCOMMALTBGG-SNVBAGLBSA-N 1 0 334.332 2.477 20 5 EEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357196 468682541 /nfs/dbraw/zinc/68/25/41/468682541.db2.gz UMZDCQMWTIQZRW-ZJUUUORDSA-N 1 0 335.368 2.007 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594800009 468690714 /nfs/dbraw/zinc/69/07/14/468690714.db2.gz AKFKVWMSXFYNQX-LBPRGKRZSA-N 1 0 341.433 2.054 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594801464 468691576 /nfs/dbraw/zinc/69/15/76/468691576.db2.gz OXQCEISWPIJQOZ-GFCCVEGCSA-N 1 0 341.433 2.054 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597856092 468694107 /nfs/dbraw/zinc/69/41/07/468694107.db2.gz XBUZFGHSDDCPTE-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000592428580 468695290 /nfs/dbraw/zinc/69/52/90/468695290.db2.gz BHGILYKOFYCTBG-PXAZEXFGSA-N 1 0 331.372 2.403 20 5 EEBDRO CC[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000592488753 468709996 /nfs/dbraw/zinc/70/99/96/468709996.db2.gz NFHPAGTVOSLCFD-BXUZGUMPSA-N 1 0 331.376 2.204 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597921950 468711317 /nfs/dbraw/zinc/71/13/17/468711317.db2.gz IGCUPGMLFLOXLT-SNVBAGLBSA-N 1 0 339.367 2.345 20 5 EEBDRO COc1ccccc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559238532 468732390 /nfs/dbraw/zinc/73/23/90/468732390.db2.gz FZZQDWVSGFEEHQ-MRXNPFEDSA-N 1 0 346.383 2.175 20 5 EEBDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000594965763 468733547 /nfs/dbraw/zinc/73/35/47/468733547.db2.gz JKMOVSSHJWBKOF-CQSZACIVSA-N 1 0 341.367 2.499 20 5 EEBDRO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595228539 468788682 /nfs/dbraw/zinc/78/86/82/468788682.db2.gz CAKSZZHDOVYAIX-KCJUWKMLSA-N 1 0 342.193 2.167 20 5 EEBDRO CN(CC(C)(C)[NH3+])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595274393 468798399 /nfs/dbraw/zinc/79/83/99/468798399.db2.gz UXEDVZQQMAJWJR-UHFFFAOYSA-N 1 0 348.325 2.492 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000584386470 468858389 /nfs/dbraw/zinc/85/83/89/468858389.db2.gz GSVOFAXTNNKLKN-JJRVBVJISA-N 1 0 346.431 2.467 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101228 468871486 /nfs/dbraw/zinc/87/14/86/468871486.db2.gz NSVKHWUWWUFLIS-HIFRSBDPSA-N 1 0 335.379 2.219 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593101229 468871844 /nfs/dbraw/zinc/87/18/44/468871844.db2.gz NSVKHWUWWUFLIS-UKRRQHHQSA-N 1 0 335.379 2.219 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000561749663 468908050 /nfs/dbraw/zinc/90/80/50/468908050.db2.gz GHDFNNJURWARCJ-LBPRGKRZSA-N 1 0 338.310 2.403 20 5 EEBDRO CC(C)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000598573831 468919124 /nfs/dbraw/zinc/91/91/24/468919124.db2.gz PPILJSBQGQXFOF-OAHLLOKOSA-N 1 0 330.388 2.006 20 5 EEBDRO COC(=O)c1ccnc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598587834 468924143 /nfs/dbraw/zinc/92/41/43/468924143.db2.gz DPBPQYXFSCKKLQ-NEPJUHHUSA-N 1 0 336.392 2.309 20 5 EEBDRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562301309 468933549 /nfs/dbraw/zinc/93/35/49/468933549.db2.gz LINDRQLKJLIFEK-KGLIPLIRSA-N 1 0 349.431 2.002 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000598646604 468943521 /nfs/dbraw/zinc/94/35/21/468943521.db2.gz HXRHWGRZRMZCND-CYBMUJFWSA-N 1 0 338.404 2.465 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2cnnc2C2CC2)n1 ZINC000562499082 468970857 /nfs/dbraw/zinc/97/08/57/468970857.db2.gz XITYGJQHPIOWKX-KBPBESRZSA-N 1 0 345.407 2.034 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595743894 468983529 /nfs/dbraw/zinc/98/35/29/468983529.db2.gz SCOIFVIJFOSYAT-XJKSGUPXSA-N 1 0 347.415 2.483 20 5 EEBDRO C[C@@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC(=O)N1 ZINC000602689713 469013177 /nfs/dbraw/zinc/01/31/77/469013177.db2.gz YGQFKPGWQTWOKC-NSHDSACASA-N 1 0 348.222 2.177 20 5 EEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718767 469021013 /nfs/dbraw/zinc/02/10/13/469021013.db2.gz XFMLMGPEOPNKFP-AWEZNQCLSA-N 1 0 337.395 2.421 20 5 EEBDRO O=C1CCCC12CC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595818614 469026624 /nfs/dbraw/zinc/02/66/24/469026624.db2.gz QUIPGQAILSZBRE-CQSZACIVSA-N 1 0 348.399 2.170 20 5 EEBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595877509 469058872 /nfs/dbraw/zinc/05/88/72/469058872.db2.gz UOMBBUMSHCMYJM-ZUZCIYMTSA-N 1 0 341.795 2.137 20 5 EEBDRO C[C@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595985805 469106655 /nfs/dbraw/zinc/10/66/55/469106655.db2.gz MFGJNQJGTKDKHS-ZDUSSCGKSA-N 1 0 329.809 2.209 20 5 EEBDRO CCN1C[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000593720247 469107322 /nfs/dbraw/zinc/10/73/22/469107322.db2.gz ADUSWEBZKUFYEN-BBRMVZONSA-N 1 0 331.416 2.374 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000610921328 469112191 /nfs/dbraw/zinc/11/21/91/469112191.db2.gz RNDWITCOJOBROO-UHFFFAOYSA-N 1 0 337.424 2.388 20 5 EEBDRO Cc1ccccc1C[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596057303 469132208 /nfs/dbraw/zinc/13/22/08/469132208.db2.gz MKENKEWQKBYINY-UHFFFAOYSA-N 1 0 328.372 2.326 20 5 EEBDRO COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000596068278 469138472 /nfs/dbraw/zinc/13/84/72/469138472.db2.gz GQKUFMDUKHUTGP-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091927 469151932 /nfs/dbraw/zinc/15/19/32/469151932.db2.gz PUUIMQWFRGGFCJ-LLVKDONJSA-N 1 0 328.372 2.222 20 5 EEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000563066367 469158165 /nfs/dbraw/zinc/15/81/65/469158165.db2.gz NJCPSYXAKNAEMN-LSDHHAIUSA-N 1 0 333.388 2.085 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611155681 469175902 /nfs/dbraw/zinc/17/59/02/469175902.db2.gz JZMCXDLFZFAASF-OAHLLOKOSA-N 1 0 334.420 2.309 20 5 EEBDRO NC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596169052 469184275 /nfs/dbraw/zinc/18/42/75/469184275.db2.gz DHYQJKQAVKDWTN-WBMJQRKESA-N 1 0 344.415 2.147 20 5 EEBDRO C[N@H+]1C[C@H]2CN(c3c(Br)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000596213741 469206459 /nfs/dbraw/zinc/20/64/59/469206459.db2.gz DXZYUDLJMOHHMA-AOOOYVTPSA-N 1 0 326.194 2.355 20 5 EEBDRO C[NH+](C)CCCOc1cnccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596235033 469215919 /nfs/dbraw/zinc/21/59/19/469215919.db2.gz QTUANAHUBRKDPF-UHFFFAOYSA-N 1 0 347.375 2.033 20 5 EEBDRO Nc1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596280575 469231109 /nfs/dbraw/zinc/23/11/09/469231109.db2.gz HWWXEBZEHPSYFP-GOEBONIOSA-N 1 0 339.399 2.283 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596336704 469246507 /nfs/dbraw/zinc/24/65/07/469246507.db2.gz RSONGVLDBOZOJG-LLVKDONJSA-N 1 0 336.392 2.451 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611505730 469266046 /nfs/dbraw/zinc/26/60/46/469266046.db2.gz POHLNXLNPGAXMI-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596463453 469275508 /nfs/dbraw/zinc/27/55/08/469275508.db2.gz ZYYUFVHCTORQRS-HNNXBMFYSA-N 1 0 341.415 2.325 20 5 EEBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c[nH]1 ZINC000599628939 469315798 /nfs/dbraw/zinc/31/57/98/469315798.db2.gz JKUKHEDAQZANNZ-CJNGLKHVSA-N 1 0 333.319 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccccn3)CC2)cn1 ZINC000602506907 469342792 /nfs/dbraw/zinc/34/27/92/469342792.db2.gz XZEHTHQEUNZLRM-UHFFFAOYSA-N 1 0 327.388 2.186 20 5 EEBDRO CS(=O)(=O)Cc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602530698 469351563 /nfs/dbraw/zinc/35/15/63/469351563.db2.gz SDHINZOZEJAMHL-UHFFFAOYSA-N 1 0 348.424 2.472 20 5 EEBDRO CCCCN(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564854 469362309 /nfs/dbraw/zinc/36/23/09/469362309.db2.gz PKWRBFSOQNOUGX-UHFFFAOYSA-N 1 0 335.452 2.280 20 5 EEBDRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612120837 469399879 /nfs/dbraw/zinc/39/98/79/469399879.db2.gz YKTXECCJVPZGLO-UONOGXRCSA-N 1 0 331.372 2.389 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1ccc(O)cc1)OCCO2 ZINC000604532739 469487583 /nfs/dbraw/zinc/48/75/83/469487583.db2.gz ASBJIYWQPDLHSC-UHFFFAOYSA-N 1 0 330.340 2.404 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532707 469487748 /nfs/dbraw/zinc/48/77/48/469487748.db2.gz VGNSFXBZFWMCNH-CYBMUJFWSA-N 1 0 335.404 2.186 20 5 EEBDRO CCc1cc(NC[C@H]2CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609156927 469897673 /nfs/dbraw/zinc/89/76/73/469897673.db2.gz RPGSGEMMSAQXLE-CYBMUJFWSA-N 1 0 341.415 2.400 20 5 EEBDRO COC(=O)c1cnc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164233 534306926 /nfs/dbraw/zinc/30/69/26/534306926.db2.gz KMDOOSXOKUEUCE-GFCCVEGCSA-N 1 0 334.332 2.084 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153919746 528125374 /nfs/dbraw/zinc/12/53/74/528125374.db2.gz ZEMOSZDMVKZQBS-UHFFFAOYSA-N 1 0 330.816 2.438 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246845980 535519840 /nfs/dbraw/zinc/51/98/40/535519840.db2.gz QIIGADLGLNJELY-GOEBONIOSA-N 1 0 349.431 2.462 20 5 EEBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771804122 577231104 /nfs/dbraw/zinc/23/11/04/577231104.db2.gz QMLNSXLHDLQBFY-ZANVPECISA-N 1 0 341.795 2.326 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772748852 577293731 /nfs/dbraw/zinc/29/37/31/577293731.db2.gz AZOBVULANTXEPQ-SNVBAGLBSA-N 1 0 337.767 2.062 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773130160 577318118 /nfs/dbraw/zinc/31/81/18/577318118.db2.gz HENIVWYJHSHQPH-SJORKVTESA-N 1 0 346.431 2.068 20 5 EEBDRO COc1cccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000776280127 577456662 /nfs/dbraw/zinc/45/66/62/577456662.db2.gz ZWTIBFOJSHFBIG-INIZCTEOSA-N 1 0 346.383 2.478 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000762709488 577706216 /nfs/dbraw/zinc/70/62/16/577706216.db2.gz WLAPDDKRDRJNMR-UHFFFAOYSA-N 1 0 332.404 2.043 20 5 EEBDRO Cc1nn(C)c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000750978286 577746206 /nfs/dbraw/zinc/74/62/06/577746206.db2.gz KEWVXQKNKYLTGS-UHFFFAOYSA-N 1 0 349.435 2.164 20 5 EEBDRO C[NH+]1CCC(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757199653 577858451 /nfs/dbraw/zinc/85/84/51/577858451.db2.gz ITRPGXYWDWUTJQ-UHFFFAOYSA-N 1 0 340.811 2.389 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCCO)CC3)sc2c1 ZINC000742411866 577872645 /nfs/dbraw/zinc/87/26/45/577872645.db2.gz ZNOCYFSBHYBRPG-UHFFFAOYSA-N 1 0 336.417 2.099 20 5 EEBDRO CCOc1cc(C(=O)OCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000747380830 577943233 /nfs/dbraw/zinc/94/32/33/577943233.db2.gz GWUDCVMKODHLOV-UHFFFAOYSA-N 1 0 326.349 2.111 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823634741 606217823 /nfs/dbraw/zinc/21/78/23/606217823.db2.gz LCNKUIOFAAFMLE-UHFFFAOYSA-N 1 0 330.373 2.169 20 5 EEBDRO C[C@@H](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824402380 609605928 /nfs/dbraw/zinc/60/59/28/609605928.db2.gz WFQUBMQJQZRIMF-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)no1 ZINC001021804458 676478286 /nfs/dbraw/zinc/47/82/86/676478286.db2.gz AOFFDHNLVGYRCK-PHIMTYICSA-N 1 0 336.373 2.003 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccnc(F)c1 ZINC001021884775 676534828 /nfs/dbraw/zinc/53/48/28/676534828.db2.gz VXBNRHHGDXYHAL-OKILXGFUSA-N 1 0 344.346 2.180 20 5 EEBDRO CCN(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043752 677767651 /nfs/dbraw/zinc/76/76/51/677767651.db2.gz NPWQMGBOXLIAMB-UHFFFAOYSA-N 1 0 335.408 2.220 20 5 EEBDRO Cn1c2ccccc2c(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000892421199 679793494 /nfs/dbraw/zinc/79/34/94/679793494.db2.gz GFVJVUCYPGIIEA-LBPRGKRZSA-N 1 0 330.388 2.200 20 5 EEBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])cnn3C)cc2F)CC1 ZINC000895035096 683481933 /nfs/dbraw/zinc/48/19/33/683481933.db2.gz ILRFSODUBMGRRE-UHFFFAOYSA-N 1 0 348.382 2.353 20 5 EEBDRO Cc1ncsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020002590 683516038 /nfs/dbraw/zinc/51/60/38/683516038.db2.gz RNPDPOLEQGGMAN-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001059265770 683797520 /nfs/dbraw/zinc/79/75/20/683797520.db2.gz ARXDRKKKLMHXMP-HDJSIYSDSA-N 1 0 344.415 2.058 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsn1 ZINC000983986937 683923915 /nfs/dbraw/zinc/92/39/15/683923915.db2.gz YUPBXDVCTJXGOY-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000896650840 685153245 /nfs/dbraw/zinc/15/32/45/685153245.db2.gz NFTFKLQXGXFXKO-CQSZACIVSA-N 1 0 334.420 2.121 20 5 EEBDRO CSCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985250874 686141636 /nfs/dbraw/zinc/14/16/36/686141636.db2.gz GNCXZRIKKSHXEN-UHFFFAOYSA-N 1 0 337.445 2.381 20 5 EEBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000909614762 687136947 /nfs/dbraw/zinc/13/69/47/687136947.db2.gz ZMJLOXSBDHRWCZ-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262643766 687733923 /nfs/dbraw/zinc/73/39/23/687733923.db2.gz UCPRNTNWTOVUHQ-JBLDHEPKSA-N 1 0 341.795 2.259 20 5 EEBDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905246736 694578218 /nfs/dbraw/zinc/57/82/18/694578218.db2.gz GIMZBIVANDLVBQ-JTQLQIEISA-N 1 0 348.184 2.479 20 5 EEBDRO COc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898849979 693484441 /nfs/dbraw/zinc/48/44/41/693484441.db2.gz WIBSUWQNPWANGI-CABCVRRESA-N 1 0 333.388 2.206 20 5 EEBDRO Cc1nc(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c(C)c1Br ZINC001168259999 1187415662 /nfs/dbraw/zinc/41/56/62/1187415662.db2.gz XVKNQIBFAOIRSW-UHFFFAOYSA-N 1 0 326.154 2.014 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943984 1189128225 /nfs/dbraw/zinc/12/82/25/1189128225.db2.gz YWTPKOWKMGEPJX-QZTJIDSGSA-N 1 0 339.395 2.225 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000905564807 1189779034 /nfs/dbraw/zinc/77/90/34/1189779034.db2.gz OCBVYKHCYQTUTA-KGLIPLIRSA-N 1 0 347.337 2.245 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000905603069 1189789415 /nfs/dbraw/zinc/78/94/15/1189789415.db2.gz VRHISYXTEHNXMJ-LSDHHAIUSA-N 1 0 343.383 2.397 20 5 EEBDRO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005375643 1195291768 /nfs/dbraw/zinc/29/17/68/1195291768.db2.gz NPZGQFVJFJVXNJ-IAGOWNOFSA-N 1 0 331.416 2.083 20 5 EEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000794717244 1197909880 /nfs/dbraw/zinc/90/98/80/1197909880.db2.gz KMFXNRCIMKLMJJ-ZBEGNZNMSA-N 1 0 331.347 2.481 20 5 EEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000865925838 1198426568 /nfs/dbraw/zinc/42/65/68/1198426568.db2.gz NJMHZGGZCKARPY-CYBMUJFWSA-N 1 0 332.404 2.400 20 5 EEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000877016408 1199844869 /nfs/dbraw/zinc/84/48/69/1199844869.db2.gz GCNRKCMDMNJJTP-LDYMZIIASA-N 1 0 349.284 2.333 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000877016407 1199844933 /nfs/dbraw/zinc/84/49/33/1199844933.db2.gz GCNRKCMDMNJJTP-KWQFWETISA-N 1 0 349.284 2.333 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nc(Cl)cs1 ZINC001132872789 1200136536 /nfs/dbraw/zinc/13/65/36/1200136536.db2.gz RAQDCZOITWDCKQ-UHFFFAOYSA-N 1 0 346.821 2.286 20 5 EEBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879962300 1201325420 /nfs/dbraw/zinc/32/54/20/1201325420.db2.gz MHTZFZYNKFVOGS-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000880208653 1201422155 /nfs/dbraw/zinc/42/21/55/1201422155.db2.gz ULWZKYSSRGSBND-HNNXBMFYSA-N 1 0 337.395 2.467 20 5 EEBDRO COCCN1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866243024 1201474809 /nfs/dbraw/zinc/47/48/09/1201474809.db2.gz VLEMWOWZVJZXFB-ZDUSSCGKSA-N 1 0 339.411 2.365 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCSCC1 ZINC000866265804 1201480189 /nfs/dbraw/zinc/48/01/89/1201480189.db2.gz SFPCGAKERJZLLJ-GFCCVEGCSA-N 1 0 327.425 2.303 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCCOC1 ZINC000866384415 1201504832 /nfs/dbraw/zinc/50/48/32/1201504832.db2.gz KXUNSWBURFPWJO-WBMJQRKESA-N 1 0 326.368 2.186 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881468680 1201704888 /nfs/dbraw/zinc/70/48/88/1201704888.db2.gz CWIFIWAJEUYIAG-OAHLLOKOSA-N 1 0 347.415 2.276 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273420 1201769161 /nfs/dbraw/zinc/76/91/61/1201769161.db2.gz WPKHVQAGCLCTIG-CJNGLKHVSA-N 1 0 329.404 2.318 20 5 EEBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000881916868 1201788313 /nfs/dbraw/zinc/78/83/13/1201788313.db2.gz SFVQFMQTIBKHBE-UHFFFAOYSA-N 1 0 332.404 2.019 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882725885 1201929088 /nfs/dbraw/zinc/92/90/88/1201929088.db2.gz DHUGXPBZJBNGAD-MRXNPFEDSA-N 1 0 349.431 2.479 20 5 EEBDRO CC1CCN(Cc2cn(C[C@H](O)c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000883994080 1202193252 /nfs/dbraw/zinc/19/32/52/1202193252.db2.gz KUTRTFMWRCGNTQ-KRWDZBQOSA-N 1 0 345.403 2.152 20 5 EEBDRO CC1(C)CC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000890079379 1204779624 /nfs/dbraw/zinc/77/96/24/1204779624.db2.gz VXZDJGZITBGQNC-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001095605422 1205889299 /nfs/dbraw/zinc/88/92/99/1205889299.db2.gz KPHJAHOQZCBSIN-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930369126 1206552897 /nfs/dbraw/zinc/55/28/97/1206552897.db2.gz YMZXLCVBZKCRMZ-ZLIFDBKOSA-N 1 0 329.400 2.299 20 5 EEBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000931041303 1206602186 /nfs/dbraw/zinc/60/21/86/1206602186.db2.gz CEUSYCOHKDNXRD-CJNGLKHVSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1nn(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000158482552 1208401359 /nfs/dbraw/zinc/40/13/59/1208401359.db2.gz QYUMVAJRBHIVON-OAHLLOKOSA-N 1 0 329.404 2.359 20 5 EEBDRO CC(C)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000075609993 1208781863 /nfs/dbraw/zinc/78/18/63/1208781863.db2.gz UDHFLQZIUYKSIG-UHFFFAOYSA-N 1 0 346.431 2.116 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000795702362 1214976948 /nfs/dbraw/zinc/97/69/48/1214976948.db2.gz FAPHRSDSPPRBNY-QWHCGFSZSA-N 1 0 346.387 2.019 20 5 EEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000796393255 1217251231 /nfs/dbraw/zinc/25/12/31/1217251231.db2.gz HQLBGHKKCSCTPL-ZANVPECISA-N 1 0 327.381 2.404 20 5 EEBDRO Cc1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020044055 1229456234 /nfs/dbraw/zinc/45/62/34/1229456234.db2.gz SBRZGEOIMITDKT-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001095956208 1232562535 /nfs/dbraw/zinc/56/25/35/1232562535.db2.gz XCYUKKVRCGRGIX-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001095959288 1232577740 /nfs/dbraw/zinc/57/77/40/1232577740.db2.gz VONGZARZWIOKLF-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048648439 1238187015 /nfs/dbraw/zinc/18/70/15/1238187015.db2.gz GVLUVGFQIVRKKM-GASCZTMLSA-N 1 0 341.367 2.392 20 5 EEBDRO O=C(C1CC=CC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048734105 1238465892 /nfs/dbraw/zinc/46/58/92/1238465892.db2.gz GYNODTOMVQVDLL-CALCHBBNSA-N 1 0 341.411 2.451 20 5 EEBDRO O=C(c1cc[nH]c1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048835410 1238856498 /nfs/dbraw/zinc/85/64/98/1238856498.db2.gz YTDPNRGVZADBTL-IYBDPMFKSA-N 1 0 340.383 2.127 20 5 EEBDRO CC(C)(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000156488 1240006511 /nfs/dbraw/zinc/00/65/11/1240006511.db2.gz ZLGWLDWVJPGDQE-HUUCEWRRSA-N 1 0 337.464 2.449 20 5 EEBDRO Cc1ccc(C)c(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001000669794 1240698319 /nfs/dbraw/zinc/69/83/19/1240698319.db2.gz MEKBVGRMAUCOTA-QZTJIDSGSA-N 1 0 343.427 2.217 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097244435 1243870283 /nfs/dbraw/zinc/87/02/83/1243870283.db2.gz GLWPHOFKGADJCG-GASCZTMLSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1cc(N(CCNC(=O)C[NH+]2CCCC2)C2CC2)ccc1[N+](=O)[O-] ZINC001101347230 1245693438 /nfs/dbraw/zinc/69/34/38/1245693438.db2.gz DKZYLBXDAAKMGH-UHFFFAOYSA-N 1 0 346.431 2.084 20 5 EEBDRO Cc1ccc(N(CCNC(=O)CCC[NH+](C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001101441375 1245830190 /nfs/dbraw/zinc/83/01/90/1245830190.db2.gz FKYRXCZQTVKLMB-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO O=C(N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2)C1(CF)CC1 ZINC001072970022 1255531456 /nfs/dbraw/zinc/53/14/56/1255531456.db2.gz ZLYYYHQLSRLIFZ-UHFFFAOYSA-N 1 0 347.390 2.379 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571985 1278149185 /nfs/dbraw/zinc/14/91/85/1278149185.db2.gz RKKOOZZUZLZOJM-MWLCHTKSSA-N 1 0 332.326 2.464 20 5 EEBDRO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558866 1277267230 /nfs/dbraw/zinc/26/72/30/1277267230.db2.gz UXOYHZIJMIIFIS-WFASDCNBSA-N 1 0 334.420 2.081 20 5 EEBDRO C[NH+]1CCN(c2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)cn2)CC1 ZINC001199801183 1285835604 /nfs/dbraw/zinc/83/56/04/1285835604.db2.gz BBAZTSDXSSNDGX-UHFFFAOYSA-N 1 0 329.360 2.191 20 5 EEBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218001441 1297545046 /nfs/dbraw/zinc/54/50/46/1297545046.db2.gz VTMIZMJQTMNIQN-GXFFZTMASA-N 1 0 326.324 2.239 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825550041 1292705399 /nfs/dbraw/zinc/70/53/99/1292705399.db2.gz XWVFPCXDTRLSNV-IRXDYDNUSA-N 1 0 349.431 2.399 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858579241 1294158645 /nfs/dbraw/zinc/15/86/45/1294158645.db2.gz PLDOFECBDBZVMV-RYUDHWBXSA-N 1 0 341.433 2.463 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000859392140 1294422301 /nfs/dbraw/zinc/42/23/01/1294422301.db2.gz GARUIXJTMXBKCS-UHFFFAOYSA-N 1 0 341.795 2.089 20 5 EEBDRO CCOC(=O)c1cc(Nc2cnn(CC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC001211364590 1295845060 /nfs/dbraw/zinc/84/50/60/1295845060.db2.gz ODXFVEHHNZLIND-UHFFFAOYSA-N 1 0 347.375 2.273 20 5 EEBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C[NH2+]1 ZINC001218036966 1297552516 /nfs/dbraw/zinc/55/25/16/1297552516.db2.gz HDTGGXHEIFHYJO-VXNVDRBHSA-N 1 0 348.140 2.329 20 5 EEBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H](O)CF ZINC001221339366 1298782218 /nfs/dbraw/zinc/78/22/18/1298782218.db2.gz YRDSTLRQPUSYRB-KXBFYZLASA-N 1 0 340.398 2.309 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](OCCC[N+](C)(C)C)CCO2 ZINC001224619813 1300672280 /nfs/dbraw/zinc/67/22/80/1300672280.db2.gz RISOTOVSMHGQSD-HNNXBMFYSA-N 1 0 343.488 2.268 20 5 EEBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](OCC[N+](C)(C)C)CS2 ZINC001224770506 1300730430 /nfs/dbraw/zinc/73/04/30/1300730430.db2.gz BBPQOEZCPYOJAN-CYBMUJFWSA-N 1 0 331.502 2.204 20 5 EEBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3F)C[C@H]1[N@@H+]2C ZINC001226271416 1301330784 /nfs/dbraw/zinc/33/07/84/1301330784.db2.gz ZFTUAAFSVPMGJS-GMZLATJGSA-N 1 0 338.335 2.280 20 5 EEBDRO Cc1c(Br)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226872681 1301590371 /nfs/dbraw/zinc/59/03/71/1301590371.db2.gz FFAQYGXCHHEEQS-LLVKDONJSA-N 1 0 331.230 2.120 20 5 EEBDRO CCOC(=O)c1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001229065417 1302596590 /nfs/dbraw/zinc/59/65/90/1302596590.db2.gz BFXYPQQCLIUIQA-SNVBAGLBSA-N 1 0 346.245 2.494 20 5 EEBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000797433545 1304740578 /nfs/dbraw/zinc/74/05/78/1304740578.db2.gz GPWPEAKHFMLMNW-ZDUSSCGKSA-N 1 0 334.351 2.130 20 5 EEBDRO CC(=O)Nc1ccc(C(C)=O)c(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001234683038 1305006045 /nfs/dbraw/zinc/00/60/45/1305006045.db2.gz BWAMFSCIDJVBLA-SNVBAGLBSA-O 1 0 338.384 2.229 20 5 EEBDRO C[S@@](=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000799727688 1305393705 /nfs/dbraw/zinc/39/37/05/1305393705.db2.gz UVSZFTWFOKUBHP-HSZRJFAPSA-N 1 0 337.445 2.064 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC001116760168 1305916147 /nfs/dbraw/zinc/91/61/47/1305916147.db2.gz AZHVHOACJYKLIA-AWEZNQCLSA-N 1 0 347.415 2.484 20 5 EEBDRO CCc1cc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC001118923449 1308959607 /nfs/dbraw/zinc/95/96/07/1308959607.db2.gz HGPSVMYEXHNXIC-UHFFFAOYSA-N 1 0 327.388 2.269 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC001119343686 1309054430 /nfs/dbraw/zinc/05/44/30/1309054430.db2.gz LHVPOFWFCIPTLV-RDJZCZTQSA-N 1 0 342.399 2.178 20 5 EEBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001119367225 1309058599 /nfs/dbraw/zinc/05/85/99/1309058599.db2.gz QOUUACCBILRXIX-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001120874086 1309805696 /nfs/dbraw/zinc/80/56/96/1309805696.db2.gz IQVZBIJUPMTYOQ-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCCC[NH2+]C2)c1F ZINC001246089373 1310232963 /nfs/dbraw/zinc/23/29/63/1310232963.db2.gz DLBJAPYMTGDUFI-RYUDHWBXSA-N 1 0 325.384 2.405 20 5 EEBDRO COC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246149479 1310247880 /nfs/dbraw/zinc/24/78/80/1310247880.db2.gz BRUFICGZPUTMDH-WBVHZDCISA-N 1 0 349.431 2.102 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC(O)([C@H]3CCCC[NH2+]3)C1)CC2 ZINC001246901643 1310464091 /nfs/dbraw/zinc/46/40/91/1310464091.db2.gz YTFWQHSSADDRIU-SJLPKXTDSA-N 1 0 345.443 2.031 20 5 EEBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834353444 1314827058 /nfs/dbraw/zinc/82/70/58/1314827058.db2.gz HVCRHTDITJWHQK-FSPWUOQZSA-N 1 0 330.384 2.382 20 5 EEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000840141143 1315307727 /nfs/dbraw/zinc/30/77/27/1315307727.db2.gz QBWJGKGFDQXRAT-CABCVRRESA-N 1 0 345.403 2.495 20 5 EEBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000840884527 1315427056 /nfs/dbraw/zinc/42/70/56/1315427056.db2.gz QHWKPEWGKJRXFF-HNNXBMFYSA-N 1 0 338.429 2.484 20 5 EEBDRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842477977 1315713277 /nfs/dbraw/zinc/71/32/77/1315713277.db2.gz YDDSYXHONHCHLV-OAHLLOKOSA-N 1 0 338.795 2.015 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617694 1315733979 /nfs/dbraw/zinc/73/39/79/1315733979.db2.gz RAFPTCJWNZXYQW-BBRMVZONSA-N 1 0 345.403 2.496 20 5 EEBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843333825 1315892687 /nfs/dbraw/zinc/89/26/87/1315892687.db2.gz COQZOQRSHZYDDC-UHFFFAOYSA-N 1 0 334.420 2.313 20 5 EEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C[NH3+])C1 ZINC000843347879 1315895633 /nfs/dbraw/zinc/89/56/33/1315895633.db2.gz XMTSEKJAUSCXHJ-WDEREUQCSA-N 1 0 340.811 2.246 20 5 EEBDRO O=C(COc1ccc(F)cc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150685870 1316343027 /nfs/dbraw/zinc/34/30/27/1316343027.db2.gz UYODOCJJEWAKRM-UHFFFAOYSA-N 1 0 347.346 2.019 20 5 EEBDRO O=[N+]([O-])c1cnc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c(Cl)c1 ZINC001154848013 1317350021 /nfs/dbraw/zinc/35/00/21/1317350021.db2.gz QFVOISACONBPDH-UHFFFAOYSA-N 1 0 347.684 2.493 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001155272621 1317534065 /nfs/dbraw/zinc/53/40/65/1317534065.db2.gz QOFDPPFDFIFFFT-UHFFFAOYSA-N 1 0 342.355 2.034 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155461728 1317606998 /nfs/dbraw/zinc/60/69/98/1317606998.db2.gz LZCKDXYREPSQEC-MRVPVSSYSA-N 1 0 333.175 2.087 20 5 EEBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc21 ZINC001155621072 1317677263 /nfs/dbraw/zinc/67/72/63/1317677263.db2.gz LYUHTPXUEUNHOY-CXAGYDPISA-N 1 0 328.372 2.466 20 5 EEBDRO CCc1ocnc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156029937 1317839942 /nfs/dbraw/zinc/83/99/42/1317839942.db2.gz RKJRNQSILQJOFL-UHFFFAOYSA-N 1 0 332.360 2.055 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cncc1C[NH2+]Cc1ccccc1 ZINC001156496604 1318040882 /nfs/dbraw/zinc/04/08/82/1318040882.db2.gz OSZZRQVRRHFEQW-UHFFFAOYSA-N 1 0 339.355 2.012 20 5 EEBDRO Cc1nccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254468291 1318081777 /nfs/dbraw/zinc/08/17/77/1318081777.db2.gz KFEVNPLQAIUEPH-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC4(CC3)OCCO4)CC2)cc1 ZINC001254473542 1318082346 /nfs/dbraw/zinc/08/23/46/1318082346.db2.gz DWRBDNFWDIPBLA-UHFFFAOYSA-N 1 0 347.415 2.403 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001254570958 1318126435 /nfs/dbraw/zinc/12/64/35/1318126435.db2.gz QVWWEBWNXPXDAI-BMFZPTHFSA-N 1 0 331.416 2.469 20 5 EEBDRO CCOc1ccc([C@@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254572003 1318126630 /nfs/dbraw/zinc/12/66/30/1318126630.db2.gz GBYVYSXYAICVCS-NVXWUHKLSA-N 1 0 343.383 2.179 20 5 EEBDRO COc1ccc(C[C@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577054 1318127279 /nfs/dbraw/zinc/12/72/79/1318127279.db2.gz BVXKHAYYYRAQJK-DLBZAZTESA-N 1 0 342.395 2.264 20 5 EEBDRO CCN1CC2(CC1=O)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606103 1318142916 /nfs/dbraw/zinc/14/29/16/1318142916.db2.gz DVAMKMLSOSFVTC-KRWDZBQOSA-N 1 0 343.427 2.396 20 5 EEBDRO Cc1nccnc1O[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612042 1318145824 /nfs/dbraw/zinc/14/58/24/1318145824.db2.gz URGCXCQMYJXVTM-IRXDYDNUSA-N 1 0 340.383 2.314 20 5 EEBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)ns1 ZINC001157208803 1318488598 /nfs/dbraw/zinc/48/85/98/1318488598.db2.gz OXHOQVFJWRLFMG-UHFFFAOYSA-N 1 0 340.430 2.331 20 5 EEBDRO COc1cc(N2CCC([NH+]3CCC(CO)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092943 1318644004 /nfs/dbraw/zinc/64/40/04/1318644004.db2.gz BNDVEGKKXUZZLN-UHFFFAOYSA-N 1 0 349.431 2.277 20 5 EEBDRO CCOc1nc(N(c2cnccn2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001157541887 1318705517 /nfs/dbraw/zinc/70/55/17/1318705517.db2.gz UDOCZFZOGLCTBQ-UHFFFAOYSA-N 1 0 344.375 2.069 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)CC[N@H+](C)Cc1ccccc1 ZINC001157556323 1318712548 /nfs/dbraw/zinc/71/25/48/1318712548.db2.gz AMUOCVNMYKECNN-UHFFFAOYSA-N 1 0 330.388 2.105 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001256428582 1318736693 /nfs/dbraw/zinc/73/66/93/1318736693.db2.gz SEMPWCKWSPVYDE-ZDUSSCGKSA-N 1 0 333.388 2.094 20 5 EEBDRO NC(=[NH2+])c1nccn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001157629361 1318757285 /nfs/dbraw/zinc/75/72/85/1318757285.db2.gz PKJFDXGHVBKEDB-UHFFFAOYSA-N 1 0 326.291 2.266 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(N3CCO[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC001158310279 1319166014 /nfs/dbraw/zinc/16/60/14/1319166014.db2.gz XXNWPFQLUYGEOA-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO COc1nc(N(c2ccncc2F)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001158334656 1319181565 /nfs/dbraw/zinc/18/15/65/1319181565.db2.gz YMSKNSUARMUMMO-UHFFFAOYSA-N 1 0 347.350 2.423 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001158364188 1319203585 /nfs/dbraw/zinc/20/35/85/1319203585.db2.gz PEMVKRJVHLWVAM-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC3(C[NH2+]C3)CC2)nn1 ZINC001159050375 1319578727 /nfs/dbraw/zinc/57/87/27/1319578727.db2.gz ZUJAKGHPVLCBJA-UHFFFAOYSA-N 1 0 325.372 2.242 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001159347205 1319754554 /nfs/dbraw/zinc/75/45/54/1319754554.db2.gz MSLKCTKHGCUXOL-GFCCVEGCSA-N 1 0 330.344 2.483 20 5 EEBDRO COC(=O)[C@@H](Nc1c(C)c(Cl)cc([N+](=O)[O-])c1OC)C(C)(C)[NH3+] ZINC001162949762 1320993511 /nfs/dbraw/zinc/99/35/11/1320993511.db2.gz KUPLCFBULRWZIL-GFCCVEGCSA-N 1 0 345.783 2.256 20 5 EEBDRO Cc1c(F)cnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001162958245 1320996622 /nfs/dbraw/zinc/99/66/22/1320996622.db2.gz HISKZOJETNKVKC-GFCCVEGCSA-N 1 0 338.383 2.398 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162963363 1320998479 /nfs/dbraw/zinc/99/84/79/1320998479.db2.gz PZSCOQZSBBYPCB-LLVKDONJSA-N 1 0 340.811 2.026 20 5 EEBDRO COCCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163046349 1321022319 /nfs/dbraw/zinc/02/23/19/1321022319.db2.gz BSHMWRZDZYWKAG-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC001163092584 1321033072 /nfs/dbraw/zinc/03/30/72/1321033072.db2.gz NDDQMHWSJPJSPM-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO Cc1c(C)n(-c2ncc([N+](=O)[O-])cc2C(N)=O)c2ccc(C[NH3+])cc12 ZINC001163755891 1321209994 /nfs/dbraw/zinc/20/99/94/1321209994.db2.gz NZRJNSWRGOHNBZ-UHFFFAOYSA-N 1 0 339.355 2.108 20 5 EEBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC001164516917 1321404195 /nfs/dbraw/zinc/40/41/95/1321404195.db2.gz OBEBMIADIPVWRC-UHFFFAOYSA-N 1 0 340.430 2.331 20 5 EEBDRO CC(C)[N@@H+]1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165200030 1321470003 /nfs/dbraw/zinc/47/00/03/1321470003.db2.gz SKPGVYAHCDOXID-PSKZRQQASA-N 1 0 333.436 2.441 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165236150 1321480491 /nfs/dbraw/zinc/48/04/91/1321480491.db2.gz GNTABQHDFRTQRL-ZDUSSCGKSA-N 1 0 343.840 2.340 20 5 EEBDRO Nc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165305490 1321497786 /nfs/dbraw/zinc/49/77/86/1321497786.db2.gz MCWBDWADFGVIAO-SNVBAGLBSA-N 1 0 345.325 2.225 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCCCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165339989 1321504297 /nfs/dbraw/zinc/50/42/97/1321504297.db2.gz HJKIEGBPCOTQCA-UHFFFAOYSA-N 1 0 348.403 2.279 20 5 EEBDRO Cc1ccc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001165396345 1321516228 /nfs/dbraw/zinc/51/62/28/1321516228.db2.gz ZUTLZSQHYAKGJQ-GOEBONIOSA-N 1 0 325.372 2.301 20 5 EEBDRO Cc1ncccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165451230 1321528307 /nfs/dbraw/zinc/52/83/07/1321528307.db2.gz RHDJNWKHCRBDKE-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO CC/C(C)=C/C(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001205196346 1322310288 /nfs/dbraw/zinc/31/02/88/1322310288.db2.gz LXZRSXQSBLNYPV-UKTHLTGXSA-N 1 0 349.435 2.013 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001263246217 1322447865 /nfs/dbraw/zinc/44/78/65/1322447865.db2.gz JNXHWYHAZHXEHI-UHFFFAOYSA-N 1 0 332.404 2.045 20 5 EEBDRO CC[N@H+](CCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001306952602 1331502082 /nfs/dbraw/zinc/50/20/82/1331502082.db2.gz INFNLBMWZGBQTA-UHFFFAOYSA-N 1 0 330.388 2.470 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001321721751 1333148636 /nfs/dbraw/zinc/14/86/36/1333148636.db2.gz SYYQOBZWGGTBCF-JKSUJKDBSA-N 1 0 334.420 2.309 20 5 EEBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323760715 1333533052 /nfs/dbraw/zinc/53/30/52/1333533052.db2.gz MLZCGXNWDMRAFY-OAHLLOKOSA-N 1 0 335.404 2.484 20 5 EEBDRO C[NH+](C)CC1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001609266697 1351915235 /nfs/dbraw/zinc/91/52/35/1351915235.db2.gz ZSPKZLZMZSRELU-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329114896 1334588418 /nfs/dbraw/zinc/58/84/18/1334588418.db2.gz RGRAKYQBBXFAQQ-GZMMTYOYSA-N 1 0 331.294 2.239 20 5 EEBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001335444707 1336376341 /nfs/dbraw/zinc/37/63/41/1336376341.db2.gz NYQKUHSUXVUECW-SJORKVTESA-N 1 0 334.347 2.265 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001336747032 1336589264 /nfs/dbraw/zinc/58/92/64/1336589264.db2.gz ZNRURHZGBMLVPB-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1C[NH2+]C1 ZINC001575591068 1343834344 /nfs/dbraw/zinc/83/43/44/1343834344.db2.gz FWHYJBVGAYYTEP-UHFFFAOYSA-N 1 0 344.419 2.165 20 5 EEBDRO CN(C)c1ccc(COC(=O)[C@H]2C[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001578426109 1344277761 /nfs/dbraw/zinc/27/77/61/1344277761.db2.gz UGZYCUDORZJNIP-CQSZACIVSA-N 1 0 347.415 2.484 20 5 EEBDRO [NH3+]CC[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580288711 1344506592 /nfs/dbraw/zinc/50/65/92/1344506592.db2.gz VEOUQKAJNISOOY-VIFPVBQESA-N 1 0 331.294 2.425 20 5 EEBDRO O=[N+]([O-])c1ncccc1CN(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001580876124 1344567597 /nfs/dbraw/zinc/56/75/97/1344567597.db2.gz BTGQMBNBTNQSIN-UHFFFAOYSA-N 1 0 327.388 2.139 20 5 EEBDRO CC(C)([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001589321449 1348982672 /nfs/dbraw/zinc/98/26/72/1348982672.db2.gz CHDCBMAXDIGDKO-CQSZACIVSA-N 1 0 346.391 2.212 20 5 EEBDRO CO[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1(C)C ZINC001591357907 1349471021 /nfs/dbraw/zinc/47/10/21/1349471021.db2.gz KWCKTELZWYRRPB-CQSZACIVSA-N 1 0 346.391 2.022 20 5 EEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC001603684249 1350741812 /nfs/dbraw/zinc/74/18/12/1350741812.db2.gz XNHXKDFAGFJDFL-JTQLQIEISA-N 1 0 333.396 2.163 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(C)C ZINC000780857323 1371170184 /nfs/dbraw/zinc/17/01/84/1371170184.db2.gz XAVDRXMDYRDOCJ-UHFFFAOYSA-N 1 0 347.412 2.051 20 5 EEBDRO COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782506791 1371304574 /nfs/dbraw/zinc/30/45/74/1371304574.db2.gz FXMRBMISKHAKFF-GFCCVEGCSA-N 1 0 325.340 2.173 20 5 EEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532603 1371308326 /nfs/dbraw/zinc/30/83/26/1371308326.db2.gz XTMDLQHWUPEYOJ-NWDGAFQWSA-N 1 0 338.383 2.087 20 5 EEBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000798404807 1371582801 /nfs/dbraw/zinc/58/28/01/1371582801.db2.gz USRJCNPFKBJFKE-UHFFFAOYSA-N 1 0 346.431 2.409 20 5 EEBDRO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830838160 1372352643 /nfs/dbraw/zinc/35/26/43/1372352643.db2.gz LIYSHDHDCMPJBW-INIZCTEOSA-N 1 0 337.420 2.209 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355092993 1373146186 /nfs/dbraw/zinc/14/61/86/1373146186.db2.gz BPOIXPUOHMPRGZ-RWMBFGLXSA-N 1 0 335.429 2.143 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)c1 ZINC000848627773 1373162330 /nfs/dbraw/zinc/16/23/30/1373162330.db2.gz KWHPTZKZZMNGOZ-CXAGYDPISA-N 1 0 344.371 2.434 20 5 EEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC001356535906 1373201578 /nfs/dbraw/zinc/20/15/78/1373201578.db2.gz YNYVDHAXMAKMKN-GOSISDBHSA-N 1 0 329.400 2.177 20 5 EEBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001575446022 1403549681 /nfs/dbraw/zinc/54/96/81/1403549681.db2.gz YNDMPYIXGXJJME-HNNXBMFYSA-N 1 0 335.404 2.194 20 5 EEBDRO C[C@@H]([NH3+])Cn1c(C2CC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001579404677 1403781251 /nfs/dbraw/zinc/78/12/51/1403781251.db2.gz UGAYIZZPMGDHMR-GFCCVEGCSA-N 1 0 344.419 2.090 20 5 EEBDRO Cn1c2ccccc2c(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1=O ZINC001579948828 1403800886 /nfs/dbraw/zinc/80/08/86/1403800886.db2.gz WPMFOMFJDZSLKB-CYBMUJFWSA-N 1 0 330.388 2.376 20 5 EEBDRO Cc1cc(N(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001100278794 1410625504 /nfs/dbraw/zinc/62/55/04/1410625504.db2.gz PLNOJEOIORQSMN-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CN(CCNC(=O)c1ccn2c[nH+]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001100416235 1410653133 /nfs/dbraw/zinc/65/31/33/1410653133.db2.gz SZCXYAMFHBYTDT-UHFFFAOYSA-N 1 0 339.355 2.109 20 5 EEBDRO CCN(CCNC(=O)CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100582574 1410674351 /nfs/dbraw/zinc/67/43/51/1410674351.db2.gz RWUSWHZODYMPRH-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO Cc1c(C(=O)NCC[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000060665938 790565901 /nfs/dbraw/zinc/56/59/01/790565901.db2.gz VDULBDBZEHKNDR-UHFFFAOYSA-N 1 0 336.348 2.027 20 5 EEBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000261620649 779477940 /nfs/dbraw/zinc/47/79/40/779477940.db2.gz GAFBSMCZDWRARJ-UHFFFAOYSA-N 1 0 333.388 2.209 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@](C)(C[NH3+])C1 ZINC000261651744 779660018 /nfs/dbraw/zinc/66/00/18/779660018.db2.gz HJKNOEMZGKKDEZ-BMIGLBTASA-N 1 0 340.811 2.246 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818015165 785175123 /nfs/dbraw/zinc/17/51/23/785175123.db2.gz KCYPXYUMPJWLIC-SFHVURJKSA-N 1 0 344.415 2.163 20 5 EEBDRO C[C@@H]([NH3+])CCNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001170890813 785217590 /nfs/dbraw/zinc/21/75/90/785217590.db2.gz HFYCBGJPQAENEN-MRVPVSSYSA-N 1 0 339.193 2.477 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccnn1CC[NH+](C)C ZINC000908269285 785284607 /nfs/dbraw/zinc/28/46/07/785284607.db2.gz UFRSLIMFBYABLO-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EEBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCCCC[NH3+])C1=O ZINC000818617730 785303749 /nfs/dbraw/zinc/30/37/49/785303749.db2.gz IAPJHMIJGKZKBW-QGZVFWFLSA-N 1 0 348.403 2.271 20 5 EEBDRO COc1c(C)cnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000818988470 785353968 /nfs/dbraw/zinc/35/39/68/785353968.db2.gz QMDUMKUOBGSCIM-MRXNPFEDSA-N 1 0 331.372 2.438 20 5 EEBDRO C[NH+]1CCC(C(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001107239308 786591664 /nfs/dbraw/zinc/59/16/64/786591664.db2.gz JWZNZUNUYXRHBU-NSCUHMNNSA-N 1 0 332.404 2.021 20 5 EEBDRO Cc1cc(NC/C=C/CNC(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001107379298 787068528 /nfs/dbraw/zinc/06/85/28/787068528.db2.gz FPZZRBFTCWIZTR-SNAWJCMRSA-N 1 0 346.431 2.472 20 5 EEBDRO [NH3+][C@H]1C[C@@](C(=O)NCc2cccc([N+](=O)[O-])c2)(c2ccccc2)C1 ZINC000912262081 788069455 /nfs/dbraw/zinc/06/94/55/788069455.db2.gz OHWGPAWNNJVITK-RZDIXWSQSA-N 1 0 325.368 2.270 20 5 EEBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001109664409 805855193 /nfs/dbraw/zinc/85/51/93/805855193.db2.gz YEBBZWPMROYASF-UHFFFAOYSA-N 1 0 346.431 2.484 20 5 EEBDRO CO[C@H]1COCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824708965 788282557 /nfs/dbraw/zinc/28/25/57/788282557.db2.gz LOPHGJOZVHDFMH-KDOFPFPSSA-N 1 0 349.431 2.205 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923444656 789554771 /nfs/dbraw/zinc/55/47/71/789554771.db2.gz SGMQRXVORWZGTK-MGPQQGTHSA-N 1 0 334.420 2.303 20 5 EEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923445963 789557700 /nfs/dbraw/zinc/55/77/00/789557700.db2.gz FYRJZDHVNBGODF-DCAQKATOSA-N 1 0 340.811 2.257 20 5 EEBDRO C[NH+](C)CCC(=O)NC1CC2(C1)CC(Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001093445148 795203170 /nfs/dbraw/zinc/20/31/70/795203170.db2.gz VSGSMXHRTIMLFU-UHFFFAOYSA-N 1 0 346.431 2.386 20 5 EEBDRO C[NH+](C)C1(C(=O)NCCCNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001094621473 796493552 /nfs/dbraw/zinc/49/35/52/796493552.db2.gz AEHSGMWDGIGHQK-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO COCCn1cnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172905920 797131963 /nfs/dbraw/zinc/13/19/63/797131963.db2.gz UKBCJHTWMLZQPN-INIZCTEOSA-N 1 0 344.415 2.475 20 5 EEBDRO O=C1NCC[C@@]12CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172905761 797131999 /nfs/dbraw/zinc/13/19/99/797131999.db2.gz UCTWQHDQTHLAFI-YJBOKZPZSA-N 1 0 329.400 2.054 20 5 EEBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912977 797170634 /nfs/dbraw/zinc/17/06/34/797170634.db2.gz NRUCSXGVDIBZHV-RDJZCZTQSA-N 1 0 331.416 2.443 20 5 EEBDRO C[C@@H](CO)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012741 797196568 /nfs/dbraw/zinc/19/65/68/797196568.db2.gz YGIKEROHIGENBF-SNVBAGLBSA-N 1 0 329.347 2.060 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ccc(C[NH3+])cc2=N)c1F ZINC001173175116 797276400 /nfs/dbraw/zinc/27/64/00/797276400.db2.gz AALZAUSETMSPAT-SNVBAGLBSA-N 1 0 334.351 2.286 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173220487 797301565 /nfs/dbraw/zinc/30/15/65/797301565.db2.gz FJHHXOXJLSWFFW-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO CCOC(=O)c1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1C[NH3+] ZINC001173229156 797311557 /nfs/dbraw/zinc/31/15/57/797311557.db2.gz QPXHBAUENXHSBV-LLVKDONJSA-N 1 0 332.360 2.230 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001173236683 797321658 /nfs/dbraw/zinc/32/16/58/797321658.db2.gz FBHXURRDULLSIM-BBRMVZONSA-N 1 0 328.372 2.469 20 5 EEBDRO Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001173238413 797324105 /nfs/dbraw/zinc/32/41/05/797324105.db2.gz RXFVOSIVUJUHDJ-OAHLLOKOSA-N 1 0 341.415 2.446 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000154002961 797629491 /nfs/dbraw/zinc/62/94/91/797629491.db2.gz BNJQFKMWYXLRIW-BETUJISGSA-N 1 0 336.392 2.168 20 5 EEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000033083692 797915475 /nfs/dbraw/zinc/91/54/75/797915475.db2.gz LNNIOFLEYHUDCK-UHFFFAOYSA-N 1 0 328.372 2.169 20 5 EEBDRO CN1CC[NH2+]C[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212223988 798094008 /nfs/dbraw/zinc/09/40/08/798094008.db2.gz AXRFJZVHATXIJG-OAHLLOKOSA-N 1 0 346.394 2.409 20 5 EEBDRO Cc1ncc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC001002465064 798113600 /nfs/dbraw/zinc/11/36/00/798113600.db2.gz IBBGZRPUVMTZHG-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001110191285 798280752 /nfs/dbraw/zinc/28/07/52/798280752.db2.gz NSMHYGPQXINRJS-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823678575 798757070 /nfs/dbraw/zinc/75/70/70/798757070.db2.gz QQODKWZKBYOUIO-KBRIMQKVSA-N 1 0 349.431 2.207 20 5 EEBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC001177927609 799190998 /nfs/dbraw/zinc/19/09/98/799190998.db2.gz ICBPTQUVOFHJGL-UHFFFAOYSA-N 1 0 345.403 2.398 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363103 802828952 /nfs/dbraw/zinc/82/89/52/802828952.db2.gz BSLDWODHIHPXJA-BNEJOLLZSA-N 1 0 343.427 2.214 20 5 EEBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC001168884810 803500921 /nfs/dbraw/zinc/50/09/21/803500921.db2.gz PNWHSEAAERXUBU-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO COc1cccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)n1 ZINC001168997060 803562661 /nfs/dbraw/zinc/56/26/61/803562661.db2.gz BLASXKIOFXVGMJ-LSDHHAIUSA-N 1 0 349.431 2.173 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ncccc2Br)C1 ZINC001169001521 803566440 /nfs/dbraw/zinc/56/64/40/803566440.db2.gz GUNYEUHPHVMDBD-QWRGUYRKSA-N 1 0 328.210 2.422 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169012490 803571144 /nfs/dbraw/zinc/57/11/44/803571144.db2.gz QOIZOCFUGXGGTE-CBBWQLFWSA-N 1 0 339.436 2.373 20 5 EEBDRO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169014050 803571337 /nfs/dbraw/zinc/57/13/37/803571337.db2.gz YNKKAHLUKYIYIG-PEUXKQIOSA-N 1 0 339.436 2.421 20 5 EEBDRO COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001168990304 803573639 /nfs/dbraw/zinc/57/36/39/803573639.db2.gz BMHZQWMFRFRIHV-IKGGRYGDSA-N 1 0 333.432 2.305 20 5 EEBDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169030247 803576911 /nfs/dbraw/zinc/57/69/11/803576911.db2.gz XHYLNPMNTJIXKJ-JGFGOLAASA-N 1 0 335.448 2.059 20 5 EEBDRO COc1cc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169054219 803596210 /nfs/dbraw/zinc/59/62/10/803596210.db2.gz KWYGETSIWZELSE-KBPBESRZSA-N 1 0 335.404 2.379 20 5 EEBDRO CC(C)(CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000790935048 808986119 /nfs/dbraw/zinc/98/61/19/808986119.db2.gz DIFRSTXWJJPMSZ-UHFFFAOYSA-N 1 0 347.462 2.057 20 5 EEBDRO C[NH+]1CC(CNc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001170250022 809863645 /nfs/dbraw/zinc/86/36/45/809863645.db2.gz SWVDEVQSRKUFAA-UHFFFAOYSA-N 1 0 341.371 2.216 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170304259 809873490 /nfs/dbraw/zinc/87/34/90/809873490.db2.gz AQLAZKSZTMFEMG-SJCJKPOMSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170327351 809892234 /nfs/dbraw/zinc/89/22/34/809892234.db2.gz QCEZPDULZHWQQS-SJCJKPOMSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351558 809920212 /nfs/dbraw/zinc/92/02/12/809920212.db2.gz DCSQBJNDENITKJ-XJKSGUPXSA-N 1 0 349.431 2.477 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccn2c1CCCC2 ZINC001129697542 810960186 /nfs/dbraw/zinc/96/01/86/810960186.db2.gz TWFQPOBJWUKHNG-UHFFFAOYSA-N 1 0 342.399 2.252 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccn2ccccc12 ZINC001131173258 812508017 /nfs/dbraw/zinc/50/80/17/812508017.db2.gz DJNDMDJPFRDCIV-UHFFFAOYSA-N 1 0 344.396 2.429 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC001131350930 812710949 /nfs/dbraw/zinc/71/09/49/812710949.db2.gz PZOXPJRNGLUWAJ-UHFFFAOYSA-N 1 0 346.412 2.060 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000050784494 214070581 /nfs/dbraw/zinc/07/05/81/214070581.db2.gz WRROFCOQLWECTK-TYNCELHUSA-N 1 0 331.372 2.205 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000174877524 231332692 /nfs/dbraw/zinc/33/26/92/231332692.db2.gz GMPMXSDTHIRBEN-INIZCTEOSA-N 1 0 330.388 2.330 20 5 EEBDRO C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000174881914 231334547 /nfs/dbraw/zinc/33/45/47/231334547.db2.gz QMFLUNBPARKMLL-MRXNPFEDSA-N 1 0 343.431 2.388 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193276193 534938986 /nfs/dbraw/zinc/93/89/86/534938986.db2.gz DZELFNVEBXSQGX-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000159106512 529916601 /nfs/dbraw/zinc/91/66/01/529916601.db2.gz TYBYLDNXPXYVRH-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068204005 215290340 /nfs/dbraw/zinc/29/03/40/215290340.db2.gz LFQRGEXAKLZVCI-GJZGRUSLSA-N 1 0 348.447 2.491 20 5 EEBDRO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000181065122 234076949 /nfs/dbraw/zinc/07/69/49/234076949.db2.gz DFGGERNSNGMZMF-CYBMUJFWSA-N 1 0 342.399 2.427 20 5 EEBDRO Cn1cc(CN[C@@H](CC[NH3+])C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414992931 238771642 /nfs/dbraw/zinc/77/16/42/238771642.db2.gz RUTIADMMIJJFTN-ZDUSSCGKSA-N 1 0 339.346 2.067 20 5 EEBDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000191637130 239225475 /nfs/dbraw/zinc/22/54/75/239225475.db2.gz COFIEXGNSRXXLE-HNNXBMFYSA-N 1 0 343.387 2.096 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422825911 240247442 /nfs/dbraw/zinc/24/74/42/240247442.db2.gz KQBAEAUCKKOHQP-VIFPVBQESA-N 1 0 331.825 2.312 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422867682 240264729 /nfs/dbraw/zinc/26/47/29/240264729.db2.gz SXYCOFXZIOKSRK-IAQYHMDHSA-N 1 0 349.387 2.019 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000443515865 242121571 /nfs/dbraw/zinc/12/15/71/242121571.db2.gz LRFDAXIQZVGOIX-HNNXBMFYSA-N 1 0 334.401 2.100 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447513613 242281957 /nfs/dbraw/zinc/28/19/57/242281957.db2.gz XPLTWUUCGFKABZ-LSDHHAIUSA-N 1 0 343.387 2.164 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[NH2+]CC2)CC1 ZINC000236665236 242312493 /nfs/dbraw/zinc/31/24/93/242312493.db2.gz YMRVPIOOQUMKTM-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449696584 242605702 /nfs/dbraw/zinc/60/57/02/242605702.db2.gz KHPMXKXGKIUPAL-CABCVRRESA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450449207 242820980 /nfs/dbraw/zinc/82/09/80/242820980.db2.gz DIWBQSHVZUGLOR-LBPRGKRZSA-N 1 0 348.428 2.221 20 5 EEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451418090 243105325 /nfs/dbraw/zinc/10/53/25/243105325.db2.gz LZLCBGJBUBTRQF-XNRPHZJLSA-N 1 0 333.388 2.159 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245770435 243156076 /nfs/dbraw/zinc/15/60/76/243156076.db2.gz MHSRILMXVOGGOZ-SRMUXQRQSA-N 1 0 333.388 2.469 20 5 EEBDRO CCO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451534642 243148436 /nfs/dbraw/zinc/14/84/36/243148436.db2.gz XXMWFHZWSFLWTI-UKPHBRMFSA-N 1 0 338.404 2.081 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451602122 243174008 /nfs/dbraw/zinc/17/40/08/243174008.db2.gz INFUAJYNFABUMS-YJBOKZPZSA-N 1 0 347.415 2.228 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC ZINC000451629893 243181572 /nfs/dbraw/zinc/18/15/72/243181572.db2.gz IJCULRVTNAMPRE-TZMCWYRMSA-N 1 0 337.376 2.089 20 5 EEBDRO CN(C(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451774916 243255752 /nfs/dbraw/zinc/25/57/52/243255752.db2.gz CCZICBKOSFEWTD-HNNXBMFYSA-N 1 0 337.420 2.287 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451728616 243232474 /nfs/dbraw/zinc/23/24/74/243232474.db2.gz HAAMFFWCUNFBGO-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456139517 244160188 /nfs/dbraw/zinc/16/01/88/244160188.db2.gz LFJBNQNAZCXSQB-UKPHBRMFSA-N 1 0 331.416 2.499 20 5 EEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000456366254 244231328 /nfs/dbraw/zinc/23/13/28/244231328.db2.gz ZOXJLDPNSUCAPO-HNNXBMFYSA-N 1 0 344.415 2.492 20 5 EEBDRO C[NH+](C)CCn1nnnc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000095425865 218367639 /nfs/dbraw/zinc/36/76/39/218367639.db2.gz CZJRAWYDSIZURD-UHFFFAOYSA-N 1 0 342.812 2.089 20 5 EEBDRO Cc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000153853507 224166481 /nfs/dbraw/zinc/16/64/81/224166481.db2.gz HFHCHGHBWFXSOM-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000117785405 221088406 /nfs/dbraw/zinc/08/84/06/221088406.db2.gz LGFMQVSBNLTUOM-JTQLQIEISA-N 1 0 325.796 2.390 20 5 EEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000267204107 256037536 /nfs/dbraw/zinc/03/75/36/256037536.db2.gz JXTHOPWNENTERO-UHFFFAOYSA-N 1 0 334.376 2.083 20 5 EEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000267229301 256040052 /nfs/dbraw/zinc/04/00/52/256040052.db2.gz KTDFNHQTUXJTBP-CYBMUJFWSA-N 1 0 346.431 2.265 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000270474927 256139179 /nfs/dbraw/zinc/13/91/79/256139179.db2.gz MLMOXJWESQPERB-QWHCGFSZSA-N 1 0 343.836 2.366 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CCCC2=O)C1 ZINC000270847119 256179151 /nfs/dbraw/zinc/17/91/51/256179151.db2.gz GCNURYZXEXLIJF-OAHLLOKOSA-N 1 0 333.388 2.190 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271283042 256228943 /nfs/dbraw/zinc/22/89/43/256228943.db2.gz CJRYJVXVRWEZBF-BXKDBHETSA-N 1 0 349.416 2.012 20 5 EEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000191856263 533429625 /nfs/dbraw/zinc/42/96/25/533429625.db2.gz XKPKQKNQYDGRSU-OLZOCXBDSA-N 1 0 349.387 2.054 20 5 EEBDRO CC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000115575016 152030115 /nfs/dbraw/zinc/03/01/15/152030115.db2.gz MVNDCMLODKYGMS-GFCCVEGCSA-N 1 0 337.376 2.043 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000262479308 152284179 /nfs/dbraw/zinc/28/41/79/152284179.db2.gz QYOLZZVUUBHHHC-SECBINFHSA-N 1 0 327.406 2.053 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192366447 160169806 /nfs/dbraw/zinc/16/98/06/160169806.db2.gz OLYPCHAIEZTGCM-OAHLLOKOSA-N 1 0 329.356 2.129 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC(=O)NC3)o2)c([N+](=O)[O-])c1 ZINC000237438837 160221653 /nfs/dbraw/zinc/22/16/53/160221653.db2.gz OFNNITMGARBKCO-LLVKDONJSA-N 1 0 345.355 2.232 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245463249 160237760 /nfs/dbraw/zinc/23/77/60/160237760.db2.gz XHFAFVAEPSAVSI-CZUORRHYSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247335974 160320435 /nfs/dbraw/zinc/32/04/35/160320435.db2.gz XGCITRUAKORYSF-JKIFEVAISA-N 1 0 346.431 2.338 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247335986 160320745 /nfs/dbraw/zinc/32/07/45/160320745.db2.gz XGCITRUAKORYSF-KEYYUXOJSA-N 1 0 346.431 2.338 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337243145 160617357 /nfs/dbraw/zinc/61/73/57/160617357.db2.gz HPKGQJXORNCMBZ-UHFFFAOYSA-N 1 0 328.372 2.194 20 5 EEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344472060 161231022 /nfs/dbraw/zinc/23/10/22/161231022.db2.gz WFGQZJYFOREMGD-RYUDHWBXSA-N 1 0 335.404 2.467 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000355712575 163278651 /nfs/dbraw/zinc/27/86/51/163278651.db2.gz CBUQXLKSVCJDQC-QGZVFWFLSA-N 1 0 328.372 2.039 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)C3CCOCC3)co2)cc1 ZINC000359879785 164189874 /nfs/dbraw/zinc/18/98/74/164189874.db2.gz UOTZWJIKNGDFCX-MRXNPFEDSA-N 1 0 347.371 2.127 20 5 EEBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368073396 166046104 /nfs/dbraw/zinc/04/61/04/166046104.db2.gz ZNXOEMJMKWNDBB-KRWDZBQOSA-N 1 0 336.388 2.302 20 5 EEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000368622478 166093324 /nfs/dbraw/zinc/09/33/24/166093324.db2.gz FDMZWEVZKDXGED-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000370057210 166385399 /nfs/dbraw/zinc/38/53/99/166385399.db2.gz VQUKCJHVYZBPAS-OAHLLOKOSA-N 1 0 343.431 2.425 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000374905114 167064747 /nfs/dbraw/zinc/06/47/47/167064747.db2.gz VPHUODNXDOXBBL-GFCCVEGCSA-N 1 0 347.371 2.070 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277221639 269143601 /nfs/dbraw/zinc/14/36/01/269143601.db2.gz RWHYVHMDPCNBOU-OAHLLOKOSA-N 1 0 345.403 2.031 20 5 EEBDRO COc1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc1[N+](=O)[O-] ZINC000278699566 269241013 /nfs/dbraw/zinc/24/10/13/269241013.db2.gz QRCQMLRIIWVVMZ-UHFFFAOYSA-N 1 0 330.344 2.247 20 5 EEBDRO CC1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000006348702 273906235 /nfs/dbraw/zinc/90/62/35/273906235.db2.gz ZSSQRLGDFYJJQV-UHFFFAOYSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000271784913 274151454 /nfs/dbraw/zinc/15/14/54/274151454.db2.gz MGSQAWVSYBOHIM-BXKDBHETSA-N 1 0 342.758 2.296 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000277246430 274277312 /nfs/dbraw/zinc/27/73/12/274277312.db2.gz JVIDDBPLFIYRSI-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165836185 274955871 /nfs/dbraw/zinc/95/58/71/274955871.db2.gz UHRAESCRQHZMPK-VXGBXAGGSA-N 1 0 342.193 2.357 20 5 EEBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000097220878 274969397 /nfs/dbraw/zinc/96/93/97/274969397.db2.gz ZBSIXRXOWHFPHK-UHFFFAOYSA-N 1 0 346.431 2.119 20 5 EEBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289438915 275115869 /nfs/dbraw/zinc/11/58/69/275115869.db2.gz OFRLXORJPIEWOO-RDJZCZTQSA-N 1 0 348.403 2.244 20 5 EEBDRO [NH3+]CCN(Cc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000289729871 275143439 /nfs/dbraw/zinc/14/34/39/275143439.db2.gz HUIPOTWPOJLJQA-UHFFFAOYSA-N 1 0 329.356 2.331 20 5 EEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290045001 275174002 /nfs/dbraw/zinc/17/40/02/275174002.db2.gz AWYOLGFRKCTDRH-CYBMUJFWSA-N 1 0 343.449 2.135 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359066749 276050553 /nfs/dbraw/zinc/05/05/53/276050553.db2.gz UYXNEFRQGWSYKE-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)COC ZINC000271020811 276429144 /nfs/dbraw/zinc/42/91/44/276429144.db2.gz AJSKMNHMDGTVEL-STQMWFEESA-N 1 0 328.434 2.453 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000368022746 277037832 /nfs/dbraw/zinc/03/78/32/277037832.db2.gz QVXJJPKPKJHXSQ-UHFFFAOYSA-N 1 0 347.371 2.024 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374314791 280661967 /nfs/dbraw/zinc/66/19/67/280661967.db2.gz XJAWXRMQTZDAOR-YJBOKZPZSA-N 1 0 332.448 2.365 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284103226 293032250 /nfs/dbraw/zinc/03/22/50/293032250.db2.gz MXUSTXOKBGJELU-UKRRQHHQSA-N 1 0 326.418 2.083 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294177518 293388739 /nfs/dbraw/zinc/38/87/39/293388739.db2.gz ADSLKKJRGYUFGN-UHFFFAOYSA-N 1 0 331.294 2.391 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000296810476 294073436 /nfs/dbraw/zinc/07/34/36/294073436.db2.gz RJLKFXPNXAWSCF-IUODEOHRSA-N 1 0 344.367 2.317 20 5 EEBDRO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000297892150 294367547 /nfs/dbraw/zinc/36/75/47/294367547.db2.gz WVHSQHSVNAMJNO-LBPRGKRZSA-N 1 0 333.392 2.328 20 5 EEBDRO COc1cccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)c1 ZINC000298736038 294573784 /nfs/dbraw/zinc/57/37/84/294573784.db2.gz PWQLLIHATSWRHQ-CQSZACIVSA-N 1 0 333.392 2.360 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000299445770 294745130 /nfs/dbraw/zinc/74/51/30/294745130.db2.gz NOOHERXQWZUPPU-CQSZACIVSA-N 1 0 345.403 2.439 20 5 EEBDRO COc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000331049177 311811361 /nfs/dbraw/zinc/81/13/61/311811361.db2.gz HHMLOQWYNIIXJV-CYBMUJFWSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000332386242 311999508 /nfs/dbraw/zinc/99/95/08/311999508.db2.gz JLYOOTYOUOLHMH-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000417721040 313576382 /nfs/dbraw/zinc/57/63/82/313576382.db2.gz SVBZKOPXIRSQOL-CYBMUJFWSA-N 1 0 337.424 2.132 20 5 EEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421391235 314095194 /nfs/dbraw/zinc/09/51/94/314095194.db2.gz ACZXFQMRBKVJCN-CYBMUJFWSA-N 1 0 330.392 2.199 20 5 EEBDRO Cc1cc(OCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432119693 314680550 /nfs/dbraw/zinc/68/05/50/314680550.db2.gz HZTINLWXEIERMQ-ZDUSSCGKSA-N 1 0 337.420 2.375 20 5 EEBDRO CC[C@@H](O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493336624 315942798 /nfs/dbraw/zinc/94/27/98/315942798.db2.gz NRPCTUKFISNHIC-GFCCVEGCSA-N 1 0 327.812 2.137 20 5 EEBDRO COCC[N@H+](C)CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000505569655 316363384 /nfs/dbraw/zinc/36/33/84/316363384.db2.gz ACFZXBMXCRXSTR-OAHLLOKOSA-N 1 0 347.419 2.450 20 5 EEBDRO CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637015 316509347 /nfs/dbraw/zinc/50/93/47/316509347.db2.gz ARIXHBOUNIPANH-WBVHZDCISA-N 1 0 332.404 2.153 20 5 EEBDRO C[NH+](C)CCn1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000520608425 316871256 /nfs/dbraw/zinc/87/12/56/316871256.db2.gz YLFJCTRDPGFZRB-UHFFFAOYSA-N 1 0 345.403 2.018 20 5 EEBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541982656 318119855 /nfs/dbraw/zinc/11/98/55/318119855.db2.gz LXRFLTXIYIMOKQ-QGZVFWFLSA-N 1 0 343.383 2.473 20 5 EEBDRO COc1ccccc1[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000542910374 318147216 /nfs/dbraw/zinc/14/72/16/318147216.db2.gz GPMIJOSFPWTRIP-INIZCTEOSA-N 1 0 332.356 2.305 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000565000834 319137171 /nfs/dbraw/zinc/13/71/71/319137171.db2.gz SLWAHCXFNDTAMX-UHFFFAOYSA-N 1 0 332.404 2.067 20 5 EEBDRO C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000565665692 319203004 /nfs/dbraw/zinc/20/30/04/319203004.db2.gz MQUYHZKVAMAYTD-TVYUQYBPSA-N 1 0 332.360 2.455 20 5 EEBDRO CC[NH2+]CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000565892062 319224322 /nfs/dbraw/zinc/22/43/22/319224322.db2.gz INNNVRIOZAUVOP-JTQLQIEISA-N 1 0 329.784 2.131 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000567700794 319407440 /nfs/dbraw/zinc/40/74/40/319407440.db2.gz RJYPUSWWKSHFPH-YPMHNXCESA-N 1 0 330.331 2.360 20 5 EEBDRO CCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000569687077 319599132 /nfs/dbraw/zinc/59/91/32/319599132.db2.gz WWHPWLVLTWPZPD-OAHLLOKOSA-N 1 0 338.404 2.131 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000571157831 319730322 /nfs/dbraw/zinc/73/03/22/319730322.db2.gz KDJBEAUYSFXRBM-UHFFFAOYSA-N 1 0 349.309 2.393 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000574389894 320020486 /nfs/dbraw/zinc/02/04/86/320020486.db2.gz DWCUSXICCCBTJO-AWEZNQCLSA-N 1 0 345.403 2.001 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000574515536 320032091 /nfs/dbraw/zinc/03/20/91/320032091.db2.gz SCFLWXGDNXFBGC-WBMJQRKESA-N 1 0 349.387 2.043 20 5 EEBDRO COc1ccc(CC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000577189766 320240039 /nfs/dbraw/zinc/24/00/39/320240039.db2.gz VGLNDRBIKHSJCM-ZDUSSCGKSA-N 1 0 347.415 2.089 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181963207 323360756 /nfs/dbraw/zinc/36/07/56/323360756.db2.gz GNFSBXOFELEJSS-MLGOLLRUSA-N 1 0 335.404 2.224 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCC2)c1 ZINC000580435296 324062893 /nfs/dbraw/zinc/06/28/93/324062893.db2.gz SIRGSWQXLGNHNH-INIZCTEOSA-N 1 0 348.378 2.003 20 5 EEBDRO COc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000296013946 465051976 /nfs/dbraw/zinc/05/19/76/465051976.db2.gz QSZCYNRFGQHFAJ-UHFFFAOYSA-N 1 0 339.367 2.299 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000328170617 465058549 /nfs/dbraw/zinc/05/85/49/465058549.db2.gz JZHBXCTUYUKKOM-LLVKDONJSA-N 1 0 344.209 2.490 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)C[NH+](C)C ZINC000341272361 465086032 /nfs/dbraw/zinc/08/60/32/465086032.db2.gz XUDGHUHJSUHWCP-WDEREUQCSA-N 1 0 343.811 2.329 20 5 EEBDRO Cn1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000354673275 465087110 /nfs/dbraw/zinc/08/71/10/465087110.db2.gz KYKVNHIWKYJBSU-UHFFFAOYSA-N 1 0 326.303 2.262 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000296119217 465087479 /nfs/dbraw/zinc/08/74/79/465087479.db2.gz YHVOMAZXZXWVPK-UHFFFAOYSA-N 1 0 338.383 2.014 20 5 EEBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347635787 465138936 /nfs/dbraw/zinc/13/89/36/465138936.db2.gz YDDDWPHDCBBJJN-WFASDCNBSA-N 1 0 347.371 2.089 20 5 EEBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351493424 465184271 /nfs/dbraw/zinc/18/42/71/465184271.db2.gz OERDOWFNYOMFHX-OLZOCXBDSA-N 1 0 337.424 2.027 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000341569851 465237219 /nfs/dbraw/zinc/23/72/19/465237219.db2.gz DROHJBGTFJEBMF-LLVKDONJSA-N 1 0 347.396 2.306 20 5 EEBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000355325980 465241353 /nfs/dbraw/zinc/24/13/53/465241353.db2.gz PCUVXHMWNIJUSD-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356384223 465351670 /nfs/dbraw/zinc/35/16/70/465351670.db2.gz DELBFVUAYJBVBC-DOMZBBRYSA-N 1 0 334.420 2.439 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074326688 462586648 /nfs/dbraw/zinc/58/66/48/462586648.db2.gz FGFDDRXMEMPHPD-AWEZNQCLSA-N 1 0 347.415 2.407 20 5 EEBDRO COc1cc[nH+]c(N2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)c1 ZINC000074748236 462630306 /nfs/dbraw/zinc/63/03/06/462630306.db2.gz YPZPYLTVEMKXDO-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764503 462632217 /nfs/dbraw/zinc/63/22/17/462632217.db2.gz IMQDJGAQUDQQIC-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO COC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341665 462799973 /nfs/dbraw/zinc/79/99/73/462799973.db2.gz JVUBUMGRTRVSKC-ZDUSSCGKSA-N 1 0 349.387 2.251 20 5 EEBDRO Nc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000076267820 462831899 /nfs/dbraw/zinc/83/18/99/462831899.db2.gz DXQWMPNUYDNZJL-ZDUSSCGKSA-N 1 0 328.376 2.216 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000132130721 462842676 /nfs/dbraw/zinc/84/26/76/462842676.db2.gz ASRLNUSAUVPTTI-CQSZACIVSA-N 1 0 342.399 2.219 20 5 EEBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000091482625 462883807 /nfs/dbraw/zinc/88/38/07/462883807.db2.gz AQHVFPMSSMXTLC-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000119835403 462932743 /nfs/dbraw/zinc/93/27/43/462932743.db2.gz ZBEOWYWDFSOBFX-ZDUSSCGKSA-N 1 0 334.420 2.193 20 5 EEBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171314 462943657 /nfs/dbraw/zinc/94/36/57/462943657.db2.gz OZNBKBSMOWURLF-ZDUSSCGKSA-N 1 0 334.401 2.470 20 5 EEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015360856 462949208 /nfs/dbraw/zinc/94/92/08/462949208.db2.gz WLUYIORLLGDPGQ-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000092630380 462966673 /nfs/dbraw/zinc/96/66/73/462966673.db2.gz BNXWJEARXVDNBH-HOTGVXAUSA-N 1 0 347.463 2.293 20 5 EEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092665031 462970801 /nfs/dbraw/zinc/97/08/01/462970801.db2.gz OCAUQFNHTIRQFG-UHFFFAOYSA-N 1 0 344.400 2.407 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016222733 462972642 /nfs/dbraw/zinc/97/26/42/462972642.db2.gz ZTQBGCMVUGILLL-QGZVFWFLSA-N 1 0 343.383 2.393 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000156125280 462983121 /nfs/dbraw/zinc/98/31/21/462983121.db2.gz VPTSNRJCLHFHHR-LBPRGKRZSA-N 1 0 336.392 2.409 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000157401113 463127924 /nfs/dbraw/zinc/12/79/24/463127924.db2.gz VDNDXODNMVBJDR-OAHLLOKOSA-N 1 0 344.371 2.400 20 5 EEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000078617807 463135030 /nfs/dbraw/zinc/13/50/30/463135030.db2.gz IOVREGOZBPOZDX-CQSZACIVSA-N 1 0 332.404 2.017 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccccn2)C1 ZINC000157666010 463154481 /nfs/dbraw/zinc/15/44/81/463154481.db2.gz BCGRUGHANSRQBS-LBPRGKRZSA-N 1 0 341.371 2.040 20 5 EEBDRO COc1cccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000026712062 463168615 /nfs/dbraw/zinc/16/86/15/463168615.db2.gz TWAULZNWDPSHAW-MRXNPFEDSA-N 1 0 346.383 2.475 20 5 EEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000068780321 463174574 /nfs/dbraw/zinc/17/45/74/463174574.db2.gz NZUGWOBZBUWBDY-UHFFFAOYSA-N 1 0 336.348 2.059 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[N@@H+](C(C)C)CC1 ZINC000069083268 463206674 /nfs/dbraw/zinc/20/66/74/463206674.db2.gz QYWXBHRYERIIOE-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122547739 463272819 /nfs/dbraw/zinc/27/28/19/463272819.db2.gz UUACSSILHZRISK-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363113 463296446 /nfs/dbraw/zinc/29/64/46/463296446.db2.gz FWYMBKYBIPDRNU-UHFFFAOYSA-N 1 0 339.395 2.312 20 5 EEBDRO Cc1cc(NC[C@@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083941 463319280 /nfs/dbraw/zinc/31/92/80/463319280.db2.gz DEOCJNBDVFGOFL-LBPRGKRZSA-N 1 0 335.385 2.441 20 5 EEBDRO Cc1c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803482 463327490 /nfs/dbraw/zinc/32/74/90/463327490.db2.gz GWWZQGKMNZJTBU-MRXNPFEDSA-N 1 0 333.432 2.447 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000080606273 463335477 /nfs/dbraw/zinc/33/54/77/463335477.db2.gz CAYFRMJGFWDAEG-AWEZNQCLSA-N 1 0 346.431 2.123 20 5 EEBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000161219483 463411835 /nfs/dbraw/zinc/41/18/35/463411835.db2.gz XMIZDRPUOYCVPF-JTQLQIEISA-N 1 0 348.309 2.277 20 5 EEBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165089418 463638611 /nfs/dbraw/zinc/63/86/11/463638611.db2.gz XNYURZKUHFLJPX-HIFRSBDPSA-N 1 0 335.404 2.191 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287009157 463771334 /nfs/dbraw/zinc/77/13/34/463771334.db2.gz RJCLATVGXHYSGE-PBHICJAKSA-N 1 0 346.431 2.116 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000261606436 463799524 /nfs/dbraw/zinc/79/95/24/463799524.db2.gz APXYIQUJJPHLRX-LBPRGKRZSA-N 1 0 349.778 2.066 20 5 EEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000276926507 463808784 /nfs/dbraw/zinc/80/87/84/463808784.db2.gz PZRVKEDEPNZEGJ-MRXNPFEDSA-N 1 0 349.431 2.290 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171450226 463866430 /nfs/dbraw/zinc/86/64/30/463866430.db2.gz ILNJAFSWITUNNW-CQSZACIVSA-N 1 0 335.429 2.384 20 5 EEBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261848999 463878044 /nfs/dbraw/zinc/87/80/44/463878044.db2.gz VDIJOUIALGOOAV-JKSUJKDBSA-N 1 0 325.368 2.091 20 5 EEBDRO C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000186086137 463934695 /nfs/dbraw/zinc/93/46/95/463934695.db2.gz USASTYKDRGKSKZ-ZDUSSCGKSA-N 1 0 341.433 2.138 20 5 EEBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000180009400 464223447 /nfs/dbraw/zinc/22/34/47/464223447.db2.gz GVXLTHNCAAQJOI-IAGOWNOFSA-N 1 0 346.431 2.498 20 5 EEBDRO C[C@@H](CO)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270298319 464248249 /nfs/dbraw/zinc/24/82/49/464248249.db2.gz QXEKLRJOQKVJDW-CYBMUJFWSA-N 1 0 332.404 2.494 20 5 EEBDRO C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000237486778 464327940 /nfs/dbraw/zinc/32/79/40/464327940.db2.gz GIHVMCJJNJBETD-CJNGLKHVSA-N 1 0 334.420 2.373 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000237753375 464374821 /nfs/dbraw/zinc/37/48/21/464374821.db2.gz TXWZMRSVTXYCLM-CYBMUJFWSA-N 1 0 341.433 2.089 20 5 EEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[NH2+]CC1 ZINC000237876515 464395036 /nfs/dbraw/zinc/39/50/36/464395036.db2.gz JLWYVQKWMMAPRP-UHFFFAOYSA-N 1 0 332.385 2.154 20 5 EEBDRO CC[N@@H+](Cc1ccccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174730342 464443468 /nfs/dbraw/zinc/44/34/68/464443468.db2.gz ASYNEILLDGKWSJ-CQSZACIVSA-N 1 0 338.795 2.328 20 5 EEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000175016912 464481771 /nfs/dbraw/zinc/48/17/71/464481771.db2.gz ALYZYHKPVVCNDK-HUUCEWRRSA-N 1 0 346.431 2.116 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000272190806 464512244 /nfs/dbraw/zinc/51/22/44/464512244.db2.gz MIXYRZCDGHENOO-BDJLRTHQSA-N 1 0 330.388 2.010 20 5 EEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285310678 464519760 /nfs/dbraw/zinc/51/97/60/464519760.db2.gz MUNNFHKBPBQJHW-LLVKDONJSA-N 1 0 343.374 2.150 20 5 EEBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181978215 464543177 /nfs/dbraw/zinc/54/31/77/464543177.db2.gz WWHMSNWKFYPKDO-GFCCVEGCSA-N 1 0 326.418 2.162 20 5 EEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175621374 464587890 /nfs/dbraw/zinc/58/78/90/464587890.db2.gz QYAMEIYSJHZCNR-QGZVFWFLSA-N 1 0 349.431 2.047 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000272426755 464603989 /nfs/dbraw/zinc/60/39/89/464603989.db2.gz CEJVJLJNCUHNBB-RDJZCZTQSA-N 1 0 346.431 2.263 20 5 EEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471150 464623247 /nfs/dbraw/zinc/62/32/47/464623247.db2.gz PRVFWXSKDKDZFC-AWEZNQCLSA-N 1 0 340.383 2.181 20 5 EEBDRO CCOc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285630932 464634969 /nfs/dbraw/zinc/63/49/69/464634969.db2.gz CVDNTABRUQYJBQ-HOCLYGCPSA-N 1 0 349.431 2.289 20 5 EEBDRO CCCN(CCC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190399511 464635644 /nfs/dbraw/zinc/63/56/44/464635644.db2.gz JHYJORRPEKKBCI-UHFFFAOYSA-N 1 0 349.478 2.228 20 5 EEBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247440186 464679649 /nfs/dbraw/zinc/67/96/49/464679649.db2.gz WRFODIFYSKKUJM-MGPQQGTHSA-N 1 0 348.447 2.496 20 5 EEBDRO CC(C)(CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[N+](=O)[O-] ZINC000295120278 464712108 /nfs/dbraw/zinc/71/21/08/464712108.db2.gz ISQXZIAZXSDWPJ-CALCHBBNSA-N 1 0 345.443 2.412 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000285974111 464760635 /nfs/dbraw/zinc/76/06/35/464760635.db2.gz BLEODSCHDBZDCO-RYUDHWBXSA-N 1 0 336.392 2.309 20 5 EEBDRO Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000276372573 464906655 /nfs/dbraw/zinc/90/66/55/464906655.db2.gz SNMXURSXYBAOER-JQWIXIFHSA-N 1 0 336.373 2.040 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000276483151 464950939 /nfs/dbraw/zinc/95/09/39/464950939.db2.gz RBEDFKOPCWXOHK-UHFFFAOYSA-N 1 0 335.404 2.308 20 5 EEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000593913847 468430816 /nfs/dbraw/zinc/43/08/16/468430816.db2.gz WWFGGPFUYBZNCN-LRDDRELGSA-N 1 0 337.807 2.378 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000339847236 465545806 /nfs/dbraw/zinc/54/58/06/465545806.db2.gz NIYUCTAPQOGUHB-UHFFFAOYSA-N 1 0 325.328 2.084 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[NH2+]C3(CCC3)C1)OCCO2 ZINC000591282652 468438313 /nfs/dbraw/zinc/43/83/13/468438313.db2.gz KTWWZHBISOEPJL-ZDUSSCGKSA-N 1 0 333.388 2.130 20 5 EEBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000339860004 465554794 /nfs/dbraw/zinc/55/47/94/465554794.db2.gz QYMAXUWFFUGDIB-KBPBESRZSA-N 1 0 348.403 2.029 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299071641 465587179 /nfs/dbraw/zinc/58/71/79/465587179.db2.gz PAEZEGMWFMIYNX-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299078795 465591495 /nfs/dbraw/zinc/59/14/95/465591495.db2.gz IREDOTNTEBHKCG-KGLIPLIRSA-N 1 0 335.404 2.210 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353078272 465620242 /nfs/dbraw/zinc/62/02/42/465620242.db2.gz PSKQMIUJBAHFEE-CYBMUJFWSA-N 1 0 346.391 2.485 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000371233172 465658787 /nfs/dbraw/zinc/65/87/87/465658787.db2.gz WUSKTIRUJCQBKC-RDBSUJKOSA-N 1 0 333.388 2.280 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330590580 465720362 /nfs/dbraw/zinc/72/03/62/465720362.db2.gz OAAPUZVQIFLUEP-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1ccc(NCCCNC(=O)C[C@H]2CCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000340103465 465769621 /nfs/dbraw/zinc/76/96/21/465769621.db2.gz IEYIQUHSNLVLNS-ZIAGYGMSSA-N 1 0 334.420 2.339 20 5 EEBDRO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000340157332 465826048 /nfs/dbraw/zinc/82/60/48/465826048.db2.gz ROYGLANWRPTXLS-BBRMVZONSA-N 1 0 334.420 2.373 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000345313536 465854209 /nfs/dbraw/zinc/85/42/09/465854209.db2.gz JKIPCELLCJSCTK-MRXNPFEDSA-N 1 0 349.431 2.471 20 5 EEBDRO CC(C)[N@H+](C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495559 465929655 /nfs/dbraw/zinc/92/96/55/465929655.db2.gz IPKQGFLLGDHRJR-INIZCTEOSA-N 1 0 331.420 2.348 20 5 EEBDRO Cn1ccnc1[C@H](NCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353518756 465947099 /nfs/dbraw/zinc/94/70/99/465947099.db2.gz LRKJMFSRPSTTDR-QGZVFWFLSA-N 1 0 343.431 2.349 20 5 EEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301431526 465962827 /nfs/dbraw/zinc/96/28/27/465962827.db2.gz VPVVFNULQFVEMN-AWEZNQCLSA-N 1 0 346.387 2.226 20 5 EEBDRO CC[N@@H+]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000301518834 465977246 /nfs/dbraw/zinc/97/72/46/465977246.db2.gz KOKGRYIPWMVMEA-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301542383 465982459 /nfs/dbraw/zinc/98/24/59/465982459.db2.gz CPBGNGVHZAMAHI-CQSZACIVSA-N 1 0 333.388 2.446 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000361500454 466048829 /nfs/dbraw/zinc/04/88/29/466048829.db2.gz FAXNWDCDNCOJKT-ZDUSSCGKSA-N 1 0 335.404 2.325 20 5 EEBDRO COc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301911742 466058798 /nfs/dbraw/zinc/05/87/98/466058798.db2.gz COPDSDLJPQXUCQ-GFCCVEGCSA-N 1 0 339.367 2.408 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000332019778 466347994 /nfs/dbraw/zinc/34/79/94/466347994.db2.gz FYLMSSCLXVOJCC-WCQYABFASA-N 1 0 330.388 2.218 20 5 EEBDRO CC[N@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000338767905 466367714 /nfs/dbraw/zinc/36/77/14/466367714.db2.gz RYJKILBMVXFWJE-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO Nc1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000367642213 466466547 /nfs/dbraw/zinc/46/65/47/466466547.db2.gz HYIWTULLOHKLTK-UHFFFAOYSA-N 1 0 334.420 2.116 20 5 EEBDRO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1=CC[N@H+](C)CC1 ZINC000358115475 466469886 /nfs/dbraw/zinc/46/98/86/466469886.db2.gz DEPZTQWPFSFJPW-NSHDSACASA-N 1 0 328.372 2.456 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347246795 466507299 /nfs/dbraw/zinc/50/72/99/466507299.db2.gz JOKROPJGOHCTFT-CYBMUJFWSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000339007298 466565009 /nfs/dbraw/zinc/56/50/09/466565009.db2.gz GDHMDWFJFYIYAO-GDBMZVCRSA-N 1 0 347.371 2.468 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2c1 ZINC000325191078 466654855 /nfs/dbraw/zinc/65/48/55/466654855.db2.gz AAZOSVXHIIEIEC-GJZGRUSLSA-N 1 0 328.372 2.418 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000410636732 466720663 /nfs/dbraw/zinc/72/06/63/466720663.db2.gz NGATVSHBOLVQEB-MNOVXSKESA-N 1 0 339.367 2.297 20 5 EEBDRO CCc1ccc([C@H](NC[C@@H]2C[NH2+]CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423580226 466778196 /nfs/dbraw/zinc/77/81/96/466778196.db2.gz XKVPUZHCZAHKFQ-FUHWJXTLSA-N 1 0 345.399 2.418 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)s2)cc1 ZINC000370398397 466861579 /nfs/dbraw/zinc/86/15/79/466861579.db2.gz HRQMVTBBWPXIQV-KGLIPLIRSA-N 1 0 334.397 2.251 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411856609 466918619 /nfs/dbraw/zinc/91/86/19/466918619.db2.gz BRTAGJSZEVBSOO-INIZCTEOSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417861070 466959547 /nfs/dbraw/zinc/95/95/47/466959547.db2.gz ZQSJNVUEBNQJKE-GUYCJALGSA-N 1 0 332.404 2.359 20 5 EEBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412061965 466989229 /nfs/dbraw/zinc/98/92/29/466989229.db2.gz HXUHKKJVPOBHLN-KRWDZBQOSA-N 1 0 349.387 2.199 20 5 EEBDRO C[C@@H]1CC2(CN1C(=O)CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424245642 467012028 /nfs/dbraw/zinc/01/20/28/467012028.db2.gz UTJYXBYGBSYGLY-CQSZACIVSA-N 1 0 347.415 2.354 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186951 467034547 /nfs/dbraw/zinc/03/45/47/467034547.db2.gz TWMZBRMYOGDVBN-GLZXHMCRSA-N 1 0 329.400 2.297 20 5 EEBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413141665 467177962 /nfs/dbraw/zinc/17/79/62/467177962.db2.gz TYCBYGWGSRDKIV-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413141654 467178003 /nfs/dbraw/zinc/17/80/03/467178003.db2.gz TXRSYVKQACTXOZ-JTQLQIEISA-N 1 0 347.341 2.056 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000413181714 467184805 /nfs/dbraw/zinc/18/48/05/467184805.db2.gz JWNNMDZVMJHDLB-UHFFFAOYSA-N 1 0 342.399 2.444 20 5 EEBDRO CC[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](CC)CC ZINC000427967971 467189651 /nfs/dbraw/zinc/18/96/51/467189651.db2.gz FBCHIGKRWFQFDN-HNNXBMFYSA-N 1 0 335.404 2.436 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C[C@@H]21 ZINC000413286962 467207810 /nfs/dbraw/zinc/20/78/10/467207810.db2.gz FBQMJQGUXWEMHS-HOTGVXAUSA-N 1 0 328.372 2.052 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451080274 467241758 /nfs/dbraw/zinc/24/17/58/467241758.db2.gz BNFNLKVTDGKDKQ-KGLIPLIRSA-N 1 0 346.431 2.338 20 5 EEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420255075 467330910 /nfs/dbraw/zinc/33/09/10/467330910.db2.gz HBGOYEKVPSGMAJ-RYUDHWBXSA-N 1 0 328.372 2.197 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000420290113 467339699 /nfs/dbraw/zinc/33/96/99/467339699.db2.gz UIDKZRFLWPXCGC-RKDXNWHRSA-N 1 0 329.198 2.104 20 5 EEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420355409 467375076 /nfs/dbraw/zinc/37/50/76/467375076.db2.gz DYKHEJDNNUUFFR-ZDUSSCGKSA-N 1 0 331.376 2.123 20 5 EEBDRO COc1ccc(OCC[NH2+][C@H](CN)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420354363 467375331 /nfs/dbraw/zinc/37/53/31/467375331.db2.gz BFFNPZMSILPMOW-OAHLLOKOSA-N 1 0 337.420 2.479 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420397181 467393529 /nfs/dbraw/zinc/39/35/29/467393529.db2.gz FCMQNDSLFJQIBF-GXTWGEPZSA-N 1 0 340.383 2.312 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389757984 467401507 /nfs/dbraw/zinc/40/15/07/467401507.db2.gz SNWFYSHJXWGZIM-PRHODGIISA-N 1 0 342.193 2.085 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420633515 467438418 /nfs/dbraw/zinc/43/84/18/467438418.db2.gz JIORMGRSDYPOGK-CQSZACIVSA-N 1 0 332.404 2.017 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435233583 467453629 /nfs/dbraw/zinc/45/36/29/467453629.db2.gz VYWCKHCXAZTVBY-RISCZKNCSA-N 1 0 335.429 2.428 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435233581 467454012 /nfs/dbraw/zinc/45/40/12/467454012.db2.gz VYWCKHCXAZTVBY-BXUZGUMPSA-N 1 0 335.429 2.428 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944325 467455923 /nfs/dbraw/zinc/45/59/23/467455923.db2.gz GPNDZMBRSLJEAJ-SECBINFHSA-N 1 0 344.318 2.317 20 5 EEBDRO COc1cc(CN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000435380460 467465453 /nfs/dbraw/zinc/46/54/53/467465453.db2.gz RPHZJJDRNJAEAC-SECBINFHSA-N 1 0 333.335 2.026 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000408069979 467504247 /nfs/dbraw/zinc/50/42/47/467504247.db2.gz HAQIRZVSRLJCMP-NWDGAFQWSA-N 1 0 328.372 2.308 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)COC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000449151290 467620766 /nfs/dbraw/zinc/62/07/66/467620766.db2.gz XDACPQSVTGTDFC-LRVUVFPRSA-N 1 0 335.404 2.367 20 5 EEBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449582320 467665549 /nfs/dbraw/zinc/66/55/49/467665549.db2.gz FRCJWYASSXXYLN-OLZOCXBDSA-N 1 0 345.403 2.266 20 5 EEBDRO Cc1nc(NCC2([NH+]3CCCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000450342059 467831339 /nfs/dbraw/zinc/83/13/39/467831339.db2.gz PMXWQKXWJNTPPI-UHFFFAOYSA-N 1 0 335.408 2.140 20 5 EEBDRO CC(C)COC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515188086 467978438 /nfs/dbraw/zinc/97/84/38/467978438.db2.gz OTKBNLAWLWIXBL-AWEZNQCLSA-N 1 0 330.812 2.414 20 5 EEBDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000516075945 468011837 /nfs/dbraw/zinc/01/18/37/468011837.db2.gz DQOMGQMMLNTTRT-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO COc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487227719 468029350 /nfs/dbraw/zinc/02/93/50/468029350.db2.gz TWOCADJYROHMRY-AWEZNQCLSA-N 1 0 336.392 2.407 20 5 EEBDRO Cc1c(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000487298042 468031701 /nfs/dbraw/zinc/03/17/01/468031701.db2.gz RMUCLBCSHOLKQC-INIZCTEOSA-N 1 0 334.420 2.385 20 5 EEBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000517622845 468091160 /nfs/dbraw/zinc/09/11/60/468091160.db2.gz NCJRABLXIUOLPT-MJBXVCDLSA-N 1 0 335.404 2.351 20 5 EEBDRO CN(C)c1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517733128 468094729 /nfs/dbraw/zinc/09/47/29/468094729.db2.gz YOXYXWYAEDQNAE-QGZVFWFLSA-N 1 0 345.399 2.190 20 5 EEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000533861532 468226380 /nfs/dbraw/zinc/22/63/80/468226380.db2.gz VCHDDWJDTCFEPQ-LBPRGKRZSA-N 1 0 344.371 2.184 20 5 EEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000534517930 468261207 /nfs/dbraw/zinc/26/12/07/468261207.db2.gz RSKSRHKJNLWJEZ-XJKSGUPXSA-N 1 0 346.431 2.391 20 5 EEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1OCC[NH+](C)C ZINC000556737797 468560544 /nfs/dbraw/zinc/56/05/44/468560544.db2.gz UDKMRYOMBSTPER-UHFFFAOYSA-N 1 0 346.387 2.434 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597717089 468650213 /nfs/dbraw/zinc/65/02/13/468650213.db2.gz YIAZOMUPEDVIDI-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253409 468665194 /nfs/dbraw/zinc/66/51/94/468665194.db2.gz FGIKRAYGASBRRW-ZIAGYGMSSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000595034226 468747292 /nfs/dbraw/zinc/74/72/92/468747292.db2.gz WEASQGFUAJYRFS-LBPRGKRZSA-N 1 0 344.433 2.469 20 5 EEBDRO C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CC(C)(C)O ZINC000601151257 468762542 /nfs/dbraw/zinc/76/25/42/468762542.db2.gz UUNHYMFILLMOLX-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO O=C(CSCC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000571638223 468815377 /nfs/dbraw/zinc/81/53/77/468815377.db2.gz AFINTMHYDRERDS-UHFFFAOYSA-N 1 0 335.429 2.217 20 5 EEBDRO COc1cc(CN2C[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000601330522 468828331 /nfs/dbraw/zinc/82/83/31/468828331.db2.gz UMNDKIVGROGIFN-SCZZXKLOSA-N 1 0 331.319 2.126 20 5 EEBDRO CCc1noc(CC)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584464729 468877962 /nfs/dbraw/zinc/87/79/62/468877962.db2.gz GLIIUZJBZQWTIB-GFCCVEGCSA-N 1 0 349.387 2.237 20 5 EEBDRO COC(=O)c1ccnc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000598601762 468928277 /nfs/dbraw/zinc/92/82/77/468928277.db2.gz VXALPTVUCHGRHW-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595699918 468960165 /nfs/dbraw/zinc/96/01/65/468960165.db2.gz PLKLALRKCSSVHV-BBRMVZONSA-N 1 0 335.404 2.041 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610481126 468979438 /nfs/dbraw/zinc/97/94/38/468979438.db2.gz IPKXBMNFWDBRNW-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602687594 469011807 /nfs/dbraw/zinc/01/18/07/469011807.db2.gz NZEPLPQFCYBIDO-JTQLQIEISA-N 1 0 331.294 2.229 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000614710985 469024736 /nfs/dbraw/zinc/02/47/36/469024736.db2.gz BAVONQRSHVPYAE-ZIAGYGMSSA-N 1 0 325.796 2.390 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595876389 469059162 /nfs/dbraw/zinc/05/91/62/469059162.db2.gz SRYLQAKKILRXQB-DYVFJYSZSA-N 1 0 335.404 2.182 20 5 EEBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610783299 469070023 /nfs/dbraw/zinc/07/00/23/469070023.db2.gz JCIBHBVCWZURQV-FUHWJXTLSA-N 1 0 344.415 2.408 20 5 EEBDRO [NH3+]C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000595967461 469100871 /nfs/dbraw/zinc/10/08/71/469100871.db2.gz TUWCVSGICGZKHN-UHFFFAOYSA-N 1 0 341.795 2.405 20 5 EEBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000593703709 469102367 /nfs/dbraw/zinc/10/23/67/469102367.db2.gz MLKDEGKGUXNDOZ-JDFRZJQESA-N 1 0 332.404 2.426 20 5 EEBDRO COCC[N@H+](C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000593705060 469102655 /nfs/dbraw/zinc/10/26/55/469102655.db2.gz KNPPFQSNIRJHDC-ZDUSSCGKSA-N 1 0 335.326 2.366 20 5 EEBDRO C[C@H]1COCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610991123 469131949 /nfs/dbraw/zinc/13/19/49/469131949.db2.gz KUHWBDKKXCJDNZ-JTQLQIEISA-N 1 0 327.768 2.298 20 5 EEBDRO Nc1ccc(NCc2cccc(C[NH+]3CCCC3)c2)nc1[N+](=O)[O-] ZINC000596076386 469142965 /nfs/dbraw/zinc/14/29/65/469142965.db2.gz OZNBHSKMJQCXNO-UHFFFAOYSA-N 1 0 327.388 2.780 20 5 EEBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000573547303 469156546 /nfs/dbraw/zinc/15/65/46/469156546.db2.gz VBNKUDBHJMFJIJ-INIZCTEOSA-N 1 0 347.415 2.210 20 5 EEBDRO COCCNC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515124 469269438 /nfs/dbraw/zinc/26/94/38/469269438.db2.gz HSZNDFJANANVRC-AWEZNQCLSA-N 1 0 349.431 2.439 20 5 EEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(CC[NH+](C)C)nn1 ZINC000603213811 469312241 /nfs/dbraw/zinc/31/22/41/469312241.db2.gz CMWFOEFVTDHLNF-UHFFFAOYSA-N 1 0 333.392 2.126 20 5 EEBDRO COc1ncc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000602475317 469332509 /nfs/dbraw/zinc/33/25/09/469332509.db2.gz SOPMTLOVOBUMKX-SNVBAGLBSA-N 1 0 335.389 2.141 20 5 EEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602487644 469337734 /nfs/dbraw/zinc/33/77/34/469337734.db2.gz XLRGKFAXWBTFHJ-SECBINFHSA-N 1 0 333.310 2.428 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOC[C@H]3CCCO3)nc2c1 ZINC000602514280 469345403 /nfs/dbraw/zinc/34/54/03/469345403.db2.gz SHKGWJKVEYYCHM-CYBMUJFWSA-N 1 0 335.360 2.411 20 5 EEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCOCC1 ZINC000602569290 469365358 /nfs/dbraw/zinc/36/53/58/469365358.db2.gz OZGHAGCVQWNLAR-CYBMUJFWSA-N 1 0 334.420 2.363 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccoc2C)cc1[N+](=O)[O-] ZINC000616089494 469365670 /nfs/dbraw/zinc/36/56/70/469365670.db2.gz YNIOPVUFWRBKIU-UHFFFAOYSA-N 1 0 334.328 2.338 20 5 EEBDRO Cc1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000604489657 469483664 /nfs/dbraw/zinc/48/36/64/469483664.db2.gz ZWNWXRJENAPEQM-INIZCTEOSA-N 1 0 347.415 2.230 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000612630398 469512262 /nfs/dbraw/zinc/51/22/62/469512262.db2.gz JZTVVSNBPSGJDT-UHFFFAOYSA-N 1 0 343.449 2.174 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCCN1C1CC1)OCCO2 ZINC000618068859 469886924 /nfs/dbraw/zinc/88/69/24/469886924.db2.gz LVXBUXPEAPCGJC-HNNXBMFYSA-N 1 0 347.415 2.473 20 5 EEBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583584 469943456 /nfs/dbraw/zinc/94/34/56/469943456.db2.gz QHYUVNSUIDYMOB-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(CN[C@@]3(CO)CCc4ccccc43)nc2c1 ZINC000618287137 469950739 /nfs/dbraw/zinc/95/07/39/469950739.db2.gz FUTNGGBKZDYMLE-GOSISDBHSA-N 1 0 338.367 2.395 20 5 EEBDRO CCC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368093 470008609 /nfs/dbraw/zinc/00/86/09/470008609.db2.gz FWEIXGJWMGQQMX-OAHLLOKOSA-N 1 0 336.367 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(O)(CO)CC3)o2)c1 ZINC000597205438 485615048 /nfs/dbraw/zinc/61/50/48/485615048.db2.gz JYLYYYJOVXOHNS-UHFFFAOYSA-N 1 0 332.356 2.174 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([NH2+]CC2CC2)CC1 ZINC000430594795 485703868 /nfs/dbraw/zinc/70/38/68/485703868.db2.gz LMUJTJMWFAYLMN-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420398415 534338214 /nfs/dbraw/zinc/33/82/14/534338214.db2.gz GULWTXKUFLVXJB-AWEZNQCLSA-N 1 0 340.383 2.232 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000173993816 528290802 /nfs/dbraw/zinc/29/08/02/528290802.db2.gz IFYRSPOPNHHLKR-AWEZNQCLSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794401 529146353 /nfs/dbraw/zinc/14/63/53/529146353.db2.gz LTYBIIOUJQUAIB-UHFFFAOYSA-N 1 0 348.447 2.086 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000236816980 534939511 /nfs/dbraw/zinc/93/95/11/534939511.db2.gz IVTMOIMGLDZXMG-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CC[NH2+]CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236898669 535465450 /nfs/dbraw/zinc/46/54/50/535465450.db2.gz KIRTWWHUEXOJGY-UHFFFAOYSA-N 1 0 348.325 2.141 20 5 EEBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000738313356 578009129 /nfs/dbraw/zinc/00/91/29/578009129.db2.gz HVBMSDUTOPIXTD-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771803156 577231091 /nfs/dbraw/zinc/23/10/91/577231091.db2.gz OJTNVLMGMFHDIU-ZANVPECISA-N 1 0 341.795 2.326 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCn2cnc3ccccc32)cc1 ZINC000776277809 577456538 /nfs/dbraw/zinc/45/65/38/577456538.db2.gz OZVFDTGDXZXODF-QGZVFWFLSA-N 1 0 326.356 2.268 20 5 EEBDRO Cc1nn(CN2CC[NH+](C3CCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761291501 577681208 /nfs/dbraw/zinc/68/12/08/577681208.db2.gz MRZNJLZVYUSAGQ-UHFFFAOYSA-N 1 0 329.404 2.381 20 5 EEBDRO CN(C(=O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000754251408 577803074 /nfs/dbraw/zinc/80/30/74/577803074.db2.gz SVAREROMNGJKNA-MRXNPFEDSA-N 1 0 335.404 2.009 20 5 EEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000754777804 577812766 /nfs/dbraw/zinc/81/27/66/577812766.db2.gz LDNAFLYGQSAERL-CQSZACIVSA-N 1 0 345.403 2.011 20 5 EEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169952 577821060 /nfs/dbraw/zinc/82/10/60/577821060.db2.gz PBUPZDPZXDXZJP-OTYXRUKQSA-N 1 0 327.768 2.344 20 5 EEBDRO CC[C@]1(C)CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755271224 577822727 /nfs/dbraw/zinc/82/27/27/577822727.db2.gz NUTPKEKXYGZDQZ-MRXNPFEDSA-N 1 0 332.360 2.491 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000757786351 577864097 /nfs/dbraw/zinc/86/40/97/577864097.db2.gz DGNZVMVBZGXMGD-IINYFYTJSA-N 1 0 334.376 2.208 20 5 EEBDRO Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000743262085 577882359 /nfs/dbraw/zinc/88/23/59/577882359.db2.gz PNGBIAMCBBYPPH-KRWDZBQOSA-N 1 0 342.399 2.154 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCc3sccc3C2)c1 ZINC000749684300 577979914 /nfs/dbraw/zinc/97/99/14/577979914.db2.gz AWWUAABVKPZXDI-INIZCTEOSA-N 1 0 347.440 2.338 20 5 EEBDRO Cc1nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954900 577984622 /nfs/dbraw/zinc/98/46/22/577984622.db2.gz PNTWXQVOTJBMAP-CQSZACIVSA-N 1 0 344.419 2.023 20 5 EEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736254016 578191094 /nfs/dbraw/zinc/19/10/94/578191094.db2.gz XLDJDXWBRZENPY-TXEJJXNPSA-N 1 0 345.407 2.450 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736398521 578200987 /nfs/dbraw/zinc/20/09/87/578200987.db2.gz BAAMTZUCHZWQEN-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821599002 599061540 /nfs/dbraw/zinc/06/15/40/599061540.db2.gz BMSQCZNLHBOFNL-ZDUSSCGKSA-N 1 0 345.407 2.086 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824262060 607736296 /nfs/dbraw/zinc/73/62/96/607736296.db2.gz VMWHXMSLLAEIOA-CYBMUJFWSA-N 1 0 345.407 2.307 20 5 EEBDRO COCC[N@@H+]1CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891863487 676871283 /nfs/dbraw/zinc/87/12/83/676871283.db2.gz YJZJTRPVVRPUSV-UHFFFAOYSA-N 1 0 348.378 2.441 20 5 EEBDRO Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892536509 681626782 /nfs/dbraw/zinc/62/67/82/681626782.db2.gz FVNYWSIPJLLAHO-HOTGVXAUSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccco1 ZINC000983028003 681688148 /nfs/dbraw/zinc/68/81/48/681688148.db2.gz CCEMDOISBVKBSU-HDJSIYSDSA-N 1 0 329.356 2.486 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233481 683507976 /nfs/dbraw/zinc/50/79/76/683507976.db2.gz VMJSPZLNSWXMGS-WPRPVWTQSA-N 1 0 342.783 2.483 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000895273517 684421723 /nfs/dbraw/zinc/42/17/23/684421723.db2.gz YBAQJKHNZPOHQJ-CQSZACIVSA-N 1 0 340.383 2.270 20 5 EEBDRO C[C@@H](C(=O)OCCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893386447 685167853 /nfs/dbraw/zinc/16/78/53/685167853.db2.gz UDUCXTXJENDNCM-ZIAGYGMSSA-N 1 0 336.388 2.352 20 5 EEBDRO C[C@@H]1C[N@H+](CCCOC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000893390898 685223973 /nfs/dbraw/zinc/22/39/73/685223973.db2.gz UATXFNXLVNYOIB-CQSZACIVSA-N 1 0 336.388 2.181 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H](C4OCCO4)C3)c2)c1 ZINC000905695923 1189891216 /nfs/dbraw/zinc/89/12/16/1189891216.db2.gz KXCZBAPIGVQHGM-CQSZACIVSA-N 1 0 344.371 2.111 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001034599378 1196428638 /nfs/dbraw/zinc/42/86/38/1196428638.db2.gz SPTCRHYFQYRSEG-HDJSIYSDSA-N 1 0 343.387 2.149 20 5 EEBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000864776327 1197936544 /nfs/dbraw/zinc/93/65/44/1197936544.db2.gz ZFFOTDCJQPPWFN-UHFFFAOYSA-N 1 0 335.379 2.363 20 5 EEBDRO CCc1c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001133839836 1199111436 /nfs/dbraw/zinc/11/14/36/1199111436.db2.gz OHGFBTBKBZFDCZ-UHFFFAOYSA-N 1 0 330.388 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000876624648 1199696562 /nfs/dbraw/zinc/69/65/62/1199696562.db2.gz JFDGDHFSSDKXQL-AWEZNQCLSA-N 1 0 332.404 2.201 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000877353957 1199911970 /nfs/dbraw/zinc/91/19/70/1199911970.db2.gz YAIIDCMMDJNKSO-AWEZNQCLSA-N 1 0 332.404 2.248 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N(C)CC(F)F)CC1 ZINC000795106914 1200594184 /nfs/dbraw/zinc/59/41/84/1200594184.db2.gz AGRGJCUIPIOQAF-UHFFFAOYSA-N 1 0 331.367 2.285 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866295695 1201486427 /nfs/dbraw/zinc/48/64/27/1201486427.db2.gz APTUDYUKWFNJKB-MNOVXSKESA-N 1 0 332.397 2.078 20 5 EEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000866336283 1201495708 /nfs/dbraw/zinc/49/57/08/1201495708.db2.gz PDLMXLWZHYQWPF-FZMZJTMJSA-N 1 0 344.408 2.222 20 5 EEBDRO COc1cccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882726165 1201928986 /nfs/dbraw/zinc/92/89/86/1201928986.db2.gz LWYKUNVXYWCUQE-AWEZNQCLSA-N 1 0 335.404 2.341 20 5 EEBDRO O=C(OCCC[NH+]1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000800135700 1202211649 /nfs/dbraw/zinc/21/16/49/1202211649.db2.gz HAWYFLOUVZLHSF-UHFFFAOYSA-N 1 0 344.371 2.423 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C[C@@H]3CCCO3)CC2)cc1 ZINC000886668779 1202541745 /nfs/dbraw/zinc/54/17/45/1202541745.db2.gz ZHQPMYZWCNBGQZ-QAPCUYQASA-N 1 0 349.431 2.083 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095358383 1204171763 /nfs/dbraw/zinc/17/17/63/1204171763.db2.gz RXUJQRSPKOXTRH-UHFFFAOYSA-N 1 0 348.447 2.268 20 5 EEBDRO C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000826683894 1204813818 /nfs/dbraw/zinc/81/38/18/1204813818.db2.gz CYHZGAIAZOKVNC-MRXNPFEDSA-N 1 0 347.415 2.105 20 5 EEBDRO C[NH+](C)C1(C(=O)NC2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001095434408 1205742381 /nfs/dbraw/zinc/74/23/81/1205742381.db2.gz LCVYMGDLJGOIOR-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO C[NH+](C)CC1(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001095443999 1205759928 /nfs/dbraw/zinc/75/99/28/1205759928.db2.gz PMNZXBGXPZEKKG-UHFFFAOYSA-N 1 0 346.431 2.022 20 5 EEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000795695804 1214959709 /nfs/dbraw/zinc/95/97/09/1214959709.db2.gz LYJZVIOSZLSQIN-BRWVUGGUSA-N 1 0 328.372 2.253 20 5 EEBDRO O=C1OCCN1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827001067 1249071827 /nfs/dbraw/zinc/07/18/27/1249071827.db2.gz RYKBZKAEFVTOHS-LLVKDONJSA-N 1 0 325.752 2.275 20 5 EEBDRO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001095958879 1232577032 /nfs/dbraw/zinc/57/70/32/1232577032.db2.gz KKQOWZAIJKKGRF-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO C[NH2+][C@@H](C)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641228 1234597760 /nfs/dbraw/zinc/59/77/60/1234597760.db2.gz PAZOVMKSKXCUFY-QMMMGPOBSA-N 1 0 340.181 2.278 20 5 EEBDRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001046403350 1234760583 /nfs/dbraw/zinc/76/05/83/1234760583.db2.gz OGSPPMPXNPVTTM-OTVXOJSOSA-N 1 0 346.431 2.243 20 5 EEBDRO C/C=C(/C)C(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096251187 1236693928 /nfs/dbraw/zinc/69/39/28/1236693928.db2.gz CAHGKXBEKGPCDP-CQPUUCJISA-N 1 0 346.431 2.189 20 5 EEBDRO O=C(C1CCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048638241 1238159856 /nfs/dbraw/zinc/15/98/56/1238159856.db2.gz OTTVNMJZCZGQNB-IYBDPMFKSA-N 1 0 329.400 2.285 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001097110695 1243713885 /nfs/dbraw/zinc/71/38/85/1243713885.db2.gz JARPHIKRJFGLFK-HDJSIYSDSA-N 1 0 332.404 2.138 20 5 EEBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097203475 1243819767 /nfs/dbraw/zinc/81/97/67/1243819767.db2.gz LVNVFUOAMWUEIZ-OKILXGFUSA-N 1 0 334.420 2.304 20 5 EEBDRO Cc1ccc(NC2(CNC(=O)CCc3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC001110383544 1279177997 /nfs/dbraw/zinc/17/79/97/1279177997.db2.gz KUZXXBIIYOFPSE-UHFFFAOYSA-N 1 0 343.387 2.320 20 5 EEBDRO Cc1cc(OS(=O)(=O)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000867265540 1285145273 /nfs/dbraw/zinc/14/52/73/1285145273.db2.gz IKETUIVYLXUTIA-UHFFFAOYSA-N 1 0 336.797 2.217 20 5 EEBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104857409 1285510808 /nfs/dbraw/zinc/51/08/08/1285510808.db2.gz PUULILBKCOIYCL-ZDUSSCGKSA-N 1 0 334.420 2.337 20 5 EEBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108782746 1291445939 /nfs/dbraw/zinc/44/59/39/1291445939.db2.gz GJRRDCYUUUVOFF-NSHDSACASA-N 1 0 348.359 2.026 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC001072724765 1296055549 /nfs/dbraw/zinc/05/55/49/1296055549.db2.gz DUCIQISDKLURRE-HZPDHXFCSA-N 1 0 347.459 2.156 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000863587677 1296346698 /nfs/dbraw/zinc/34/66/98/1296346698.db2.gz RHJCGJSYICGYHH-DZGCQCFKSA-N 1 0 336.779 2.083 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144985 1297583839 /nfs/dbraw/zinc/58/38/39/1297583839.db2.gz FPGMQRADFPBZOI-OSAQELSMSA-N 1 0 334.372 2.457 20 5 EEBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CC1([NH+](C)C)CCCC1 ZINC001101868375 1299964947 /nfs/dbraw/zinc/96/49/47/1299964947.db2.gz SUJMSQHFWCULJZ-UHFFFAOYSA-N 1 0 349.435 2.125 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2OCCC[N+](C)(C)C ZINC001224619665 1300671981 /nfs/dbraw/zinc/67/19/81/1300671981.db2.gz PZUCSUKCHLNGPM-MAUKXSAKSA-N 1 0 343.488 2.268 20 5 EEBDRO O=C(COCC1CC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226237147 1301315431 /nfs/dbraw/zinc/31/54/31/1301315431.db2.gz SGYLQNIMFSQHDG-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO CC(C)(C)C(=O)C(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226632774 1301485999 /nfs/dbraw/zinc/48/59/99/1301485999.db2.gz GZMUTXJFLOCMKT-UHFFFAOYSA-N 1 0 347.415 2.291 20 5 EEBDRO Cc1nc(Cl)nc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001227337859 1301786682 /nfs/dbraw/zinc/78/66/82/1301786682.db2.gz NQRBLSRDCPTEPS-IAZYJMLFSA-N 1 0 326.784 2.456 20 5 EEBDRO CC(=O)Nc1cc(O[C@@H](C)C[N+](C)(C)C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128066 1302632607 /nfs/dbraw/zinc/63/26/07/1302632607.db2.gz KEPHTMAPCSFETL-JTQLQIEISA-O 1 0 338.384 2.229 20 5 EEBDRO CC(=O)c1cc(Cl)c(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229362230 1302746112 /nfs/dbraw/zinc/74/61/12/1302746112.db2.gz RZNXHICFHIFYRY-GFCCVEGCSA-N 1 0 328.816 2.214 20 5 EEBDRO C[N@@H+]1CC[C@H](Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229803438 1302950204 /nfs/dbraw/zinc/95/02/04/1302950204.db2.gz PMSACUJCKZPTMS-NSHDSACASA-N 1 0 327.336 2.440 20 5 EEBDRO C[NH+](C)CC1(C(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001111889303 1304055869 /nfs/dbraw/zinc/05/58/69/1304055869.db2.gz GTXNMXLTSZYCDF-UHFFFAOYSA-N 1 0 346.431 2.387 20 5 EEBDRO CC(C)(C)C[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782495654 1304075339 /nfs/dbraw/zinc/07/53/39/1304075339.db2.gz GLWLOJBPQQZGAV-UHFFFAOYSA-N 1 0 341.383 2.403 20 5 EEBDRO CC(=O)CCCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233896646 1304631999 /nfs/dbraw/zinc/63/19/99/1304631999.db2.gz OLTHFURCSDWIEA-UHFFFAOYSA-N 1 0 335.404 2.292 20 5 EEBDRO C[NH2+][C@H](C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118261578 1306327351 /nfs/dbraw/zinc/32/73/51/1306327351.db2.gz YRKNSZINUIJCQO-NXEZZACHSA-N 1 0 329.784 2.130 20 5 EEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C1 ZINC000839694845 1315234736 /nfs/dbraw/zinc/23/47/36/1315234736.db2.gz SQSSQSXSBVADTN-DAXOMENPSA-N 1 0 333.388 2.011 20 5 EEBDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000839863751 1315256219 /nfs/dbraw/zinc/25/62/19/1315256219.db2.gz KCHHXLLIEOIAGT-PELKAZGASA-N 1 0 349.284 2.405 20 5 EEBDRO COC[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC[NH2+]1 ZINC000841232994 1315510374 /nfs/dbraw/zinc/51/03/74/1315510374.db2.gz JEXHNXBENLSWIP-AWEZNQCLSA-N 1 0 342.783 2.138 20 5 EEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1CC[NH2+]CC1 ZINC000841856974 1315625602 /nfs/dbraw/zinc/62/56/02/1315625602.db2.gz UEZXJIMYSZMSNV-UHFFFAOYSA-N 1 0 326.784 2.047 20 5 EEBDRO O=[N+]([O-])c1ccc(CCc2nc([C@@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC000842640929 1315742622 /nfs/dbraw/zinc/74/26/22/1315742622.db2.gz XOZMNDNZIYKUFR-NSHDSACASA-N 1 0 333.304 2.096 20 5 EEBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843079420 1315836513 /nfs/dbraw/zinc/83/65/13/1315836513.db2.gz ZXEQAXKGDTUTBK-FUHWJXTLSA-N 1 0 330.384 2.130 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000843100617 1315841830 /nfs/dbraw/zinc/84/18/30/1315841830.db2.gz DUSMREFALAPCMC-JECHBYEQSA-N 1 0 334.347 2.479 20 5 EEBDRO [NH3+]CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843303260 1315885799 /nfs/dbraw/zinc/88/57/99/1315885799.db2.gz JUACDEVZFPYTJQ-UHFFFAOYSA-N 1 0 329.759 2.127 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843365813 1315901444 /nfs/dbraw/zinc/90/14/44/1315901444.db2.gz VSTMEZWJAZCXRX-ZDUSSCGKSA-N 1 0 338.383 2.136 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843488329 1315922338 /nfs/dbraw/zinc/92/23/38/1315922338.db2.gz ZMQMFANYPMOJIC-SSDOTTSWSA-N 1 0 348.172 2.354 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1csc(CC[NH3+])n1)CC2 ZINC000843493021 1315923235 /nfs/dbraw/zinc/92/32/35/1315923235.db2.gz BQYXTGMHFYFVLG-UHFFFAOYSA-N 1 0 332.385 2.064 20 5 EEBDRO C[NH+]1CCN(c2ccc3[nH]c(CCC(C)(C)[N+](=O)[O-])nc3c2)CC1 ZINC001250594143 1317277709 /nfs/dbraw/zinc/27/77/09/1317277709.db2.gz ZNGZLNAHEXPXLG-UHFFFAOYSA-N 1 0 331.420 2.303 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155116652 1317463631 /nfs/dbraw/zinc/46/36/31/1317463631.db2.gz LBIUTOQWYKUBJA-HNNXBMFYSA-N 1 0 340.355 2.060 20 5 EEBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155482732 1317616325 /nfs/dbraw/zinc/61/63/25/1317616325.db2.gz AYPSUGNFOXXNTD-IRUJWGPZSA-N 1 0 348.790 2.443 20 5 EEBDRO Cc1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC001155483249 1317616434 /nfs/dbraw/zinc/61/64/34/1317616434.db2.gz REDNUDRGWCOLOC-DJSGYFEHSA-N 1 0 328.372 2.098 20 5 EEBDRO Cc1ccccc1OCCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156038726 1317844985 /nfs/dbraw/zinc/84/49/85/1317844985.db2.gz WSHXAMIWPGXPNP-UHFFFAOYSA-N 1 0 343.387 2.261 20 5 EEBDRO COC(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001254466147 1318081112 /nfs/dbraw/zinc/08/11/12/1318081112.db2.gz VGECDXTVUHESEP-UHFFFAOYSA-N 1 0 347.415 2.497 20 5 EEBDRO CN1CC2(C1)CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254480703 1318084820 /nfs/dbraw/zinc/08/48/20/1318084820.db2.gz LWYHFYHKFJAXRS-UHFFFAOYSA-N 1 0 330.432 2.201 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cncn1C1CCOCC1)C2 ZINC001254589823 1318136473 /nfs/dbraw/zinc/13/64/73/1318136473.db2.gz RMXMYDQFZQMRFE-HNNXBMFYSA-N 1 0 342.399 2.400 20 5 EEBDRO O=C([C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCC1 ZINC001254597419 1318138052 /nfs/dbraw/zinc/13/80/52/1318138052.db2.gz DLVYLLFSVNMNSQ-MAUKXSAKSA-N 1 0 343.427 2.396 20 5 EEBDRO CN1C(=O)CCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254611358 1318143846 /nfs/dbraw/zinc/14/38/46/1318143846.db2.gz PSRPZEPNGKNSCV-MRXNPFEDSA-N 1 0 329.400 2.149 20 5 EEBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001156773714 1318206648 /nfs/dbraw/zinc/20/66/48/1318206648.db2.gz DNSVDDJYSTUJPA-UHFFFAOYSA-N 1 0 328.800 2.366 20 5 EEBDRO COCC1(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001157815231 1318881135 /nfs/dbraw/zinc/88/11/35/1318881135.db2.gz WGJRIVLDASFJDU-UHFFFAOYSA-N 1 0 341.433 2.069 20 5 EEBDRO Cc1ncn(-c2ncc([N+](=O)[O-])cc2Cl)c1CSCC[NH3+] ZINC001157961389 1318949590 /nfs/dbraw/zinc/94/95/90/1318949590.db2.gz BZFLOUZLXRXHPH-UHFFFAOYSA-N 1 0 327.797 2.329 20 5 EEBDRO C[C@@H]1C[NH+](CCc2nnc(-c3csc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC001258111017 1319173453 /nfs/dbraw/zinc/17/34/53/1319173453.db2.gz TXLQIMFZTKCTHE-NXEZZACHSA-N 1 0 338.389 2.358 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)nc1Cl ZINC001158359776 1319200240 /nfs/dbraw/zinc/20/02/40/1319200240.db2.gz VFCSCGANVTUDQS-UHFFFAOYSA-N 1 0 336.783 2.254 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NCc3ncn4c3C[NH2+]CCC4)c2c1 ZINC001158363569 1319202440 /nfs/dbraw/zinc/20/24/40/1319202440.db2.gz YENLEFULXDMSMK-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001159442775 1319803346 /nfs/dbraw/zinc/80/33/46/1319803346.db2.gz CWVZIBCJCVZQES-UHFFFAOYSA-N 1 0 333.367 2.098 20 5 EEBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160196153 1320096106 /nfs/dbraw/zinc/09/61/06/1320096106.db2.gz SNWOHLGWJCMDDA-LBPRGKRZSA-N 1 0 337.339 2.396 20 5 EEBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc2c1 ZINC001160737195 1320253858 /nfs/dbraw/zinc/25/38/58/1320253858.db2.gz OOOKCMMRMYBMMQ-NXEZZACHSA-N 1 0 341.293 2.490 20 5 EEBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NCC[NH+](C)C ZINC001161666911 1320579688 /nfs/dbraw/zinc/57/96/88/1320579688.db2.gz RFLMDIMPFMSKTF-UHFFFAOYSA-N 1 0 335.795 2.409 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@]2(F)CCCC[NH2+]C2)s1 ZINC001162579951 1320903228 /nfs/dbraw/zinc/90/32/28/1320903228.db2.gz KYYSZZQRHMNARZ-ZDUSSCGKSA-N 1 0 325.369 2.493 20 5 EEBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162778322 1320955118 /nfs/dbraw/zinc/95/51/18/1320955118.db2.gz IYMVLKOPLQKICI-VIFPVBQESA-N 1 0 337.339 2.197 20 5 EEBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)cc1 ZINC001163053105 1321024468 /nfs/dbraw/zinc/02/44/68/1321024468.db2.gz NMJXJRFTHVQFRG-NSHDSACASA-N 1 0 327.344 2.249 20 5 EEBDRO O=[N+]([O-])c1cnc2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cn21 ZINC001163061571 1321026576 /nfs/dbraw/zinc/02/65/76/1321026576.db2.gz YAXGPHKEBHFWBX-CYBMUJFWSA-N 1 0 340.387 2.266 20 5 EEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)s1 ZINC001163280944 1321087081 /nfs/dbraw/zinc/08/70/81/1321087081.db2.gz VHRAIWXFXTXZNK-BONVTDFDSA-N 1 0 349.416 2.170 20 5 EEBDRO COc1cccc([C@@H](C[NH3+])Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001163305368 1321092607 /nfs/dbraw/zinc/09/26/07/1321092607.db2.gz DUMRTYLPIYGDCI-GFCCVEGCSA-N 1 0 333.304 2.019 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164469060 1321388008 /nfs/dbraw/zinc/38/80/08/1321388008.db2.gz WRRQGNTWRAZSIW-JGVFFNPUSA-N 1 0 331.829 2.324 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC001165073052 1321450373 /nfs/dbraw/zinc/45/03/73/1321450373.db2.gz URZGLOFVHFSZRD-MRVPVSSYSA-N 1 0 331.829 2.291 20 5 EEBDRO COCCC[NH+]1CCN(c2nc(Cl)cc(C)c2[N+](=O)[O-])CC1 ZINC001165097565 1321454733 /nfs/dbraw/zinc/45/47/33/1321454733.db2.gz LRAGQKNFCLFYPD-UHFFFAOYSA-N 1 0 328.800 2.110 20 5 EEBDRO C[N@H+](C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1)[C@@H]1CCOC1 ZINC001165205626 1321472528 /nfs/dbraw/zinc/47/25/28/1321472528.db2.gz VGXUBXWKTQJFAN-CQSZACIVSA-N 1 0 328.372 2.052 20 5 EEBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2ncc3c2CC[NH2+]C3)c1 ZINC001165223874 1321477609 /nfs/dbraw/zinc/47/76/09/1321477609.db2.gz VKDZSGDLAJWQIE-UHFFFAOYSA-N 1 0 330.735 2.023 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001165266222 1321486854 /nfs/dbraw/zinc/48/68/54/1321486854.db2.gz JPMOCQDGEIAOQM-GFCCVEGCSA-N 1 0 345.325 2.204 20 5 EEBDRO [NH3+][C@]12C[C@H]1CN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001165316745 1321499857 /nfs/dbraw/zinc/49/98/57/1321499857.db2.gz OSQXHPSSBDADIY-BONVTDFDSA-N 1 0 331.763 2.243 20 5 EEBDRO Cc1ccoc1CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001166269577 1321689197 /nfs/dbraw/zinc/68/91/97/1321689197.db2.gz HOCRFTKOJORDMD-UHFFFAOYSA-N 1 0 337.401 2.396 20 5 EEBDRO [NH3+][C@H]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1(F)F ZINC001166962252 1321826938 /nfs/dbraw/zinc/82/69/38/1321826938.db2.gz UMKHIDAUKVULSR-ZDUSSCGKSA-N 1 0 335.314 2.225 20 5 EEBDRO CC[NH+]1CCC(CN[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308893056 1331608086 /nfs/dbraw/zinc/60/80/86/1331608086.db2.gz RHAQCRSLZIWBDU-SFHVURJKSA-N 1 0 349.431 2.305 20 5 EEBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC001319849730 1332783796 /nfs/dbraw/zinc/78/37/96/1332783796.db2.gz HNXVTEUMQITKIE-ZDUSSCGKSA-N 1 0 335.795 2.350 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001326029837 1334017147 /nfs/dbraw/zinc/01/71/47/1334017147.db2.gz AYUHACYXOQPJHQ-UONOGXRCSA-N 1 0 346.431 2.488 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001327750892 1334341900 /nfs/dbraw/zinc/34/19/00/1334341900.db2.gz CXQFPRXYQOGTAC-UONOGXRCSA-N 1 0 336.348 2.106 20 5 EEBDRO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331551457 1335036052 /nfs/dbraw/zinc/03/60/52/1335036052.db2.gz UJPOXGGTAKARTJ-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC001331770336 1335069478 /nfs/dbraw/zinc/06/94/78/1335069478.db2.gz KPOTZFZSBZAONE-QGZVFWFLSA-N 1 0 340.387 2.212 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001335837569 1336435189 /nfs/dbraw/zinc/43/51/89/1336435189.db2.gz CZAUAXKITCECJK-JHNDHUHGSA-N 1 0 329.400 2.441 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC[N@@H+](CCO)CC1 ZINC001336662015 1336577290 /nfs/dbraw/zinc/57/72/90/1336577290.db2.gz ZCWCFRMHEDPDCR-UHFFFAOYSA-N 1 0 333.310 2.118 20 5 EEBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001336956110 1336622431 /nfs/dbraw/zinc/62/24/31/1336622431.db2.gz LIQDOZSYFFTXFS-QGZVFWFLSA-N 1 0 344.367 2.327 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001340092969 1337121763 /nfs/dbraw/zinc/12/17/63/1337121763.db2.gz HGSZVFVSGWQGSM-ZIAGYGMSSA-N 1 0 334.420 2.210 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1 ZINC001346212584 1337480919 /nfs/dbraw/zinc/48/09/19/1337480919.db2.gz AMDBADRKIRMDSM-OALUTQOASA-N 1 0 342.395 2.442 20 5 EEBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1cc(C)ccc1[N+](=O)[O-] ZINC001100540530 1338484098 /nfs/dbraw/zinc/48/40/98/1338484098.db2.gz MLEZBBOBPMJLMJ-UHFFFAOYSA-N 1 0 336.436 2.188 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@H]1C ZINC000848485759 1338707287 /nfs/dbraw/zinc/70/72/87/1338707287.db2.gz WJDRADVDLJNWDG-GXTWGEPZSA-N 1 0 344.371 2.299 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000848499555 1338711558 /nfs/dbraw/zinc/71/15/58/1338711558.db2.gz ZQSLKZWPAPPZDJ-UHFFFAOYSA-N 1 0 348.403 2.266 20 5 EEBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC001357204879 1338971400 /nfs/dbraw/zinc/97/14/00/1338971400.db2.gz QLCBMENWKHVXOE-JKIFEVAISA-N 1 0 347.415 2.388 20 5 EEBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001579179970 1344348817 /nfs/dbraw/zinc/34/88/17/1344348817.db2.gz KLERHSSMESXDGZ-DRZSPHRISA-N 1 0 334.376 2.248 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001580262472 1344503074 /nfs/dbraw/zinc/50/30/74/1344503074.db2.gz VNIYOTDHFSVSFA-JSGCOSHPSA-N 1 0 343.387 2.232 20 5 EEBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC12C[NH2+]C2 ZINC001580810767 1344561746 /nfs/dbraw/zinc/56/17/46/1344561746.db2.gz ASMUYPVZDVFZNO-UHFFFAOYSA-N 1 0 334.134 2.229 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590259558 1349234554 /nfs/dbraw/zinc/23/45/54/1349234554.db2.gz KSUAXRVCERAQKR-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1-c1nn[nH]n1 ZINC001593478253 1349810162 /nfs/dbraw/zinc/81/01/62/1349810162.db2.gz RWKGCHQUFPLCMP-ZDUSSCGKSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001593481008 1349812578 /nfs/dbraw/zinc/81/25/78/1349812578.db2.gz FZWHVVDCKXCDAF-CYBMUJFWSA-N 1 0 336.302 2.006 20 5 EEBDRO C[C@@H]1CSCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603949166 1350811310 /nfs/dbraw/zinc/81/13/10/1350811310.db2.gz YBHMVWAHJXMOSF-SNVBAGLBSA-N 1 0 334.405 2.102 20 5 EEBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445175 1367994542 /nfs/dbraw/zinc/99/45/42/1367994542.db2.gz SZGJECGKFHLXFH-HNNXBMFYSA-N 1 0 336.392 2.132 20 5 EEBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815553450 1368032846 /nfs/dbraw/zinc/03/28/46/1368032846.db2.gz ANMOQTWQGVMGNK-ZFWWWQNUSA-N 1 0 336.436 2.184 20 5 EEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000107261381 1369121947 /nfs/dbraw/zinc/12/19/47/1369121947.db2.gz WFHQOSDMCUHAGB-UHFFFAOYSA-N 1 0 346.362 2.333 20 5 EEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@]1(C)CO ZINC000852701210 1369294604 /nfs/dbraw/zinc/29/46/04/1369294604.db2.gz AAIKDBMEZUFXEQ-ZBEGNZNMSA-N 1 0 339.367 2.013 20 5 EEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855285778 1369389938 /nfs/dbraw/zinc/38/99/38/1369389938.db2.gz CCXNDWJKBZHJCE-GFCCVEGCSA-N 1 0 334.420 2.263 20 5 EEBDRO CC(C)C[NH+]1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164657219 719336929 /nfs/dbraw/zinc/33/69/29/719336929.db2.gz CTURJZMXGBOOIQ-WAYWQWQTSA-N 1 0 333.436 2.300 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000591137294 721916244 /nfs/dbraw/zinc/91/62/44/721916244.db2.gz SETWUEWOOCRZAO-MRXNPFEDSA-N 1 0 342.399 2.444 20 5 EEBDRO COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC[N@H+](C)C1 ZINC000840360798 782564175 /nfs/dbraw/zinc/56/41/75/782564175.db2.gz OWCFODDMQMNIJV-NSHDSACASA-N 1 0 341.795 2.098 20 5 EEBDRO Cc1ccnc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC001104424916 760688321 /nfs/dbraw/zinc/68/83/21/760688321.db2.gz FZBMFKNXNXNOCF-UHFFFAOYSA-N 1 0 349.435 2.091 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1coc(C2CC2)n1 ZINC001167738402 765667704 /nfs/dbraw/zinc/66/77/04/765667704.db2.gz ZSUFXWJUCUKJGZ-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO COCCC1(CNc2cc(Cl)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161496882 769379416 /nfs/dbraw/zinc/37/94/16/769379416.db2.gz CSMMJVJMFFFBQO-UHFFFAOYSA-N 1 0 328.800 2.461 20 5 EEBDRO CCN(CCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)C[N@H+](C)C1CCC1 ZINC001106979455 782757629 /nfs/dbraw/zinc/75/76/29/782757629.db2.gz PBPLGDNRMGJQQO-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000828988431 773488646 /nfs/dbraw/zinc/48/86/46/773488646.db2.gz XBRWGCLVBXKSJU-RNCFNFMXSA-N 1 0 326.194 2.498 20 5 EEBDRO C[C@H](CC(F)(F)C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211898136 783169697 /nfs/dbraw/zinc/16/96/97/783169697.db2.gz METDKEZSTQYERG-ZCFIWIBFSA-N 1 0 331.254 2.267 20 5 EEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000893603195 774534789 /nfs/dbraw/zinc/53/47/89/774534789.db2.gz UQNGCGABXMACMS-QMTHXVAHSA-N 1 0 338.795 2.094 20 5 EEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000893603193 774534865 /nfs/dbraw/zinc/53/48/65/774534865.db2.gz UQNGCGABXMACMS-HZMBPMFUSA-N 1 0 338.795 2.094 20 5 EEBDRO O=[N+]([O-])c1c2nsnc2ccc1NCC[NH+]1CCSCC1 ZINC001167836906 777035522 /nfs/dbraw/zinc/03/55/22/777035522.db2.gz KIBWGOWRXNPFJH-UHFFFAOYSA-N 1 0 325.419 2.060 20 5 EEBDRO [NH3+]CCN(Cc1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000809735178 783319284 /nfs/dbraw/zinc/31/92/84/783319284.db2.gz UBJBKNWAMFSTGZ-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817906897 785061483 /nfs/dbraw/zinc/06/14/83/785061483.db2.gz GIYHTDPKIPSNEX-FVQBIDKESA-N 1 0 339.823 2.495 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818582502 785298656 /nfs/dbraw/zinc/29/86/56/785298656.db2.gz ZKWGQWKSGCVCFR-CYBMUJFWSA-N 1 0 334.420 2.313 20 5 EEBDRO CC(C)(C)SCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819009676 785361663 /nfs/dbraw/zinc/36/16/63/785361663.db2.gz QGJJLZBQDJUGQH-CYBMUJFWSA-N 1 0 328.434 2.456 20 5 EEBDRO COc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819014445 785382574 /nfs/dbraw/zinc/38/25/74/785382574.db2.gz PVNNQIOTHVPGHO-HOCLYGCPSA-N 1 0 344.367 2.230 20 5 EEBDRO COc1ccc(OC)c([C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819111135 785430231 /nfs/dbraw/zinc/43/02/31/785430231.db2.gz LSMYKSKQGWBXGQ-QGZVFWFLSA-N 1 0 346.383 2.478 20 5 EEBDRO C[NH+]1CCC(CC(=O)NC/C=C/CNc2ccccc2[N+](=O)[O-])CC1 ZINC001107352052 786958263 /nfs/dbraw/zinc/95/82/63/786958263.db2.gz DHKIHMRHUWSAMT-SNAWJCMRSA-N 1 0 346.431 2.411 20 5 EEBDRO O=[N+]([O-])c1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)ccc1-n1cncn1 ZINC000823259094 787639506 /nfs/dbraw/zinc/63/95/06/787639506.db2.gz KDXHHECTDMZCDH-NSHDSACASA-N 1 0 341.331 2.040 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000823305694 787664058 /nfs/dbraw/zinc/66/40/58/787664058.db2.gz MIEIMGMMOPSYHL-MRXNPFEDSA-N 1 0 345.403 2.301 20 5 EEBDRO C[N@H+](CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001107565470 787668410 /nfs/dbraw/zinc/66/84/10/787668410.db2.gz ZKHLYDXCMQHSDQ-PLNGDYQASA-N 1 0 332.404 2.163 20 5 EEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165890264 789584737 /nfs/dbraw/zinc/58/47/37/789584737.db2.gz OVZLXJHKDDQDML-VIFPVBQESA-N 1 0 342.193 2.087 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000845734772 789929273 /nfs/dbraw/zinc/92/92/73/789929273.db2.gz ITXQAHDGGLGOSV-AWEZNQCLSA-N 1 0 346.387 2.361 20 5 EEBDRO Cc1[nH]nc(C(C)C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147108839 791705564 /nfs/dbraw/zinc/70/55/64/791705564.db2.gz DIPFOYHSOJZZEA-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnc(C2CC2)s1 ZINC001148603615 792556865 /nfs/dbraw/zinc/55/68/65/792556865.db2.gz PHRJQMBRDRRGLF-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO CN(C)c1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001148960433 792807883 /nfs/dbraw/zinc/80/78/83/792807883.db2.gz GYAAKAMWXTVQFU-UHFFFAOYSA-N 1 0 342.399 2.180 20 5 EEBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc([N+](=O)[O-])c2nccn2c1 ZINC001171394740 794567561 /nfs/dbraw/zinc/56/75/61/794567561.db2.gz UWQDQMLIHRYLLS-GFCCVEGCSA-N 1 0 325.328 2.100 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000915628832 796338104 /nfs/dbraw/zinc/33/81/04/796338104.db2.gz GCZMIXFVDJIWSN-UHFFFAOYSA-N 1 0 344.415 2.180 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCN1CCSCC1)CC2 ZINC001172901858 797129867 /nfs/dbraw/zinc/12/98/67/797129867.db2.gz QISYFRPZNRSZQX-MRXNPFEDSA-N 1 0 335.473 2.481 20 5 EEBDRO C[NH+](C)C[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172904581 797131050 /nfs/dbraw/zinc/13/10/50/797131050.db2.gz OPWNDWFDSQWISY-SJLPKXTDSA-N 1 0 333.432 2.105 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1F ZINC001173183241 797280150 /nfs/dbraw/zinc/28/01/50/797280150.db2.gz LRHNOUKTPZWFFE-FZZIBODNSA-N 1 0 326.368 2.423 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1F ZINC001173198411 797284209 /nfs/dbraw/zinc/28/42/09/797284209.db2.gz ZHIHHGWTSCPEPX-RWMBFGLXSA-N 1 0 337.395 2.167 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001173218134 797298936 /nfs/dbraw/zinc/29/89/36/797298936.db2.gz OLJRGZPNAJCACS-XJKSGUPXSA-N 1 0 330.384 2.425 20 5 EEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@](O)(C(F)(F)F)C1 ZINC001173221790 797302921 /nfs/dbraw/zinc/30/29/21/797302921.db2.gz MGRYHORXEBDJMB-FZMZJTMJSA-N 1 0 348.321 2.151 20 5 EEBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173224587 797308354 /nfs/dbraw/zinc/30/83/54/797308354.db2.gz NXKUEXAICXQPBW-BPUTZDHNSA-N 1 0 349.431 2.189 20 5 EEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001173225515 797309980 /nfs/dbraw/zinc/30/99/80/797309980.db2.gz CWYKPLVHQLFOBU-OAHLLOKOSA-N 1 0 333.432 2.322 20 5 EEBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227117 797311639 /nfs/dbraw/zinc/31/16/39/797311639.db2.gz OFRBZEVGOBRFQD-BBRMVZONSA-N 1 0 348.399 2.370 20 5 EEBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1C ZINC001150491945 798042294 /nfs/dbraw/zinc/04/22/94/798042294.db2.gz GKVXPGQODMVQGG-UHFFFAOYSA-N 1 0 330.388 2.070 20 5 EEBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1=CCOCC1 ZINC001002660358 798398390 /nfs/dbraw/zinc/39/83/90/798398390.db2.gz QYKHNNHJMRKOSS-UHFFFAOYSA-N 1 0 345.399 2.022 20 5 EEBDRO CC(C)[NH2+]C1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000821831571 798632458 /nfs/dbraw/zinc/63/24/58/798632458.db2.gz SOCIJZJKWZWUKU-UHFFFAOYSA-N 1 0 344.415 2.414 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccn1 ZINC001086012267 801928145 /nfs/dbraw/zinc/92/81/45/801928145.db2.gz PKXHVVVDVDNGEW-BJHJDKERSA-N 1 0 346.412 2.350 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168844782 803479291 /nfs/dbraw/zinc/47/92/91/803479291.db2.gz RVFSDUREXAKWPG-UHFFFAOYSA-N 1 0 326.312 2.179 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168879613 803494421 /nfs/dbraw/zinc/49/44/21/803494421.db2.gz NXCKLPGEJIOHDM-UHFFFAOYSA-N 1 0 328.307 2.144 20 5 EEBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC001168986248 803549499 /nfs/dbraw/zinc/54/94/99/803549499.db2.gz XGSCYSQLMJFYPH-ZBFHGGJFSA-N 1 0 331.416 2.391 20 5 EEBDRO Cc1nn(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)c1Br ZINC001168968415 803553236 /nfs/dbraw/zinc/55/32/36/803553236.db2.gz YWIHETUMRJOQIJ-RYUDHWBXSA-N 1 0 345.241 2.297 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)C1 ZINC001168994081 803561255 /nfs/dbraw/zinc/56/12/55/803561255.db2.gz OTXZUYUBAIMOJC-KGLIPLIRSA-N 1 0 335.404 2.174 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCS(=O)(=O)CC2)C1 ZINC001168998106 803564103 /nfs/dbraw/zinc/56/41/03/803564103.db2.gz IFQJNFHLMJSMDP-LSDHHAIUSA-N 1 0 344.477 2.159 20 5 EEBDRO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998881 803564713 /nfs/dbraw/zinc/56/47/13/803564713.db2.gz QTNIDTBSVCALFD-FPCVCCKLSA-N 1 0 325.453 2.495 20 5 EEBDRO CCOC(=O)C1(Nc2nc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169491246 803815944 /nfs/dbraw/zinc/81/59/44/803815944.db2.gz HBUKDUDYWWWRKP-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000791063086 809057694 /nfs/dbraw/zinc/05/76/94/809057694.db2.gz WETUOSHQZCDSBG-CQSZACIVSA-N 1 0 334.420 2.336 20 5 EEBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791333593 809184615 /nfs/dbraw/zinc/18/46/15/809184615.db2.gz YUUHSDGAGPJYFK-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ncc(C)cn2)c([N+](=O)[O-])c1 ZINC001170294554 809868428 /nfs/dbraw/zinc/86/84/28/809868428.db2.gz AWQRAKSJZNJRBU-CYBMUJFWSA-N 1 0 330.388 2.465 20 5 EEBDRO COc1ccc(C[C@H](C)N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001170305526 809874924 /nfs/dbraw/zinc/87/49/24/809874924.db2.gz MQDSQXZUPLXSMA-ZDUSSCGKSA-N 1 0 330.388 2.395 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])cc3cc[nH]c32)O1 ZINC001170278754 809876772 /nfs/dbraw/zinc/87/67/72/809876772.db2.gz ZHZHHSOGSHYFDG-IIAWOOMASA-N 1 0 334.376 2.213 20 5 EEBDRO C[NH+]1C(C)(C)CC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1(C)C ZINC001170453047 810884714 /nfs/dbraw/zinc/88/47/14/810884714.db2.gz HHYPFACCJBQHOA-UHFFFAOYSA-N 1 0 335.408 2.152 20 5 EEBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001130974515 812255820 /nfs/dbraw/zinc/25/58/20/812255820.db2.gz HGVBSDXJRLFNQY-UHFFFAOYSA-N 1 0 327.384 2.352 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000808783236 812853742 /nfs/dbraw/zinc/85/37/42/812853742.db2.gz MJCWJIGRCCQGNC-MAZHCROVSA-N 1 0 335.379 2.471 20 5 EEBDRO Cn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001519873904 1119111501 /nfs/dbraw/zinc/11/15/01/1119111501.db2.gz KJIVCXIOSCXBBM-UHFFFAOYSA-N 1 0 347.423 2.029 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001521229978 1119225849 /nfs/dbraw/zinc/22/58/49/1119225849.db2.gz REGKAJXJXWRJMF-GZBFAFLISA-N 1 0 347.415 2.340 20 5 EEBDRO CC[NH+](CC)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000050081561 214045329 /nfs/dbraw/zinc/04/53/29/214045329.db2.gz YCBQPMLFJNYBJE-UHFFFAOYSA-N 1 0 334.420 2.267 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)n1 ZINC000178228652 232113196 /nfs/dbraw/zinc/11/31/96/232113196.db2.gz AQSNFEBKEHBFFD-JTQLQIEISA-N 1 0 334.405 2.045 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000069252010 215373628 /nfs/dbraw/zinc/37/36/28/215373628.db2.gz MVPBUHVOWQXZIG-UHFFFAOYSA-N 1 0 337.424 2.309 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000181813402 234332796 /nfs/dbraw/zinc/33/27/96/234332796.db2.gz WWFIPCMBFZWWKE-CYBMUJFWSA-N 1 0 328.372 2.265 20 5 EEBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000189855806 237322172 /nfs/dbraw/zinc/32/21/72/237322172.db2.gz JLUWOOHTIINBSB-AWEZNQCLSA-N 1 0 345.399 2.353 20 5 EEBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130858475 223182208 /nfs/dbraw/zinc/18/22/08/223182208.db2.gz JRYNUYSSQMNYOF-ZDUSSCGKSA-N 1 0 345.403 2.449 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153285019 255776663 /nfs/dbraw/zinc/77/66/63/255776663.db2.gz ZERXYRWQIZFCAX-DTORHVGOSA-N 1 0 342.193 2.180 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193096281 240016220 /nfs/dbraw/zinc/01/62/20/240016220.db2.gz AQOCRMHUHIWKCE-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H]1C[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000422632000 240166375 /nfs/dbraw/zinc/16/63/75/240166375.db2.gz GEOHEYPWZHQTHQ-DYEKYZERSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000422631999 240167299 /nfs/dbraw/zinc/16/72/99/240167299.db2.gz GEOHEYPWZHQTHQ-BZPMIXESSA-N 1 0 345.403 2.450 20 5 EEBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000422842717 240257719 /nfs/dbraw/zinc/25/77/19/240257719.db2.gz ZCNUPTUSHKSJCI-SECBINFHSA-N 1 0 329.809 2.161 20 5 EEBDRO CC[NH2+][C@H](C)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423611671 240543859 /nfs/dbraw/zinc/54/38/59/240543859.db2.gz SOMSVJGSECMZGN-SECBINFHSA-N 1 0 331.825 2.455 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000194734517 240694231 /nfs/dbraw/zinc/69/42/31/240694231.db2.gz YYKWZBOYFQKRIP-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CCC[NH+]1CCCC1 ZINC000195037365 240811285 /nfs/dbraw/zinc/81/12/85/240811285.db2.gz MIGHRBDNBVGGLB-UHFFFAOYSA-N 1 0 330.182 2.005 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000426930820 241357783 /nfs/dbraw/zinc/35/77/83/241357783.db2.gz FFMLNKJYBHCERF-STQMWFEESA-N 1 0 335.404 2.454 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447318584 242266396 /nfs/dbraw/zinc/26/63/96/242266396.db2.gz KQOMLOOWGFOKQN-JKSUJKDBSA-N 1 0 344.415 2.289 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cccn3)C2)cc1 ZINC000451542746 243151175 /nfs/dbraw/zinc/15/11/75/243151175.db2.gz ADBQANZBENUFCO-DOTOQJQBSA-N 1 0 330.388 2.032 20 5 EEBDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451496339 243134291 /nfs/dbraw/zinc/13/42/91/243134291.db2.gz UKORGCQEQOBAKG-YSVLISHTSA-N 1 0 338.404 2.128 20 5 EEBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000451600446 243171367 /nfs/dbraw/zinc/17/13/67/243171367.db2.gz RTFSPUOTAGQHBI-HOCLYGCPSA-N 1 0 337.420 2.072 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451598225 243171720 /nfs/dbraw/zinc/17/17/20/243171720.db2.gz DVDCMADOJSBSFA-YJBOKZPZSA-N 1 0 347.415 2.228 20 5 EEBDRO CNc1nc(C(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000455815068 244084231 /nfs/dbraw/zinc/08/42/31/244084231.db2.gz BTDUBAPPFHCOOV-UHFFFAOYSA-N 1 0 337.424 2.270 20 5 EEBDRO Cc1nn(CCC(=O)NCC[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000263712672 245569600 /nfs/dbraw/zinc/56/96/00/245569600.db2.gz WTZGGWNEZDCIFW-UHFFFAOYSA-N 1 0 339.440 2.033 20 5 EEBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000265023132 247142539 /nfs/dbraw/zinc/14/25/39/247142539.db2.gz HIMLLYHCRFOHPA-CQSZACIVSA-N 1 0 334.372 2.379 20 5 EEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266087296 248086713 /nfs/dbraw/zinc/08/67/13/248086713.db2.gz OBSZYPXJAHYNST-FZMZJTMJSA-N 1 0 330.388 2.488 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000266112309 248105101 /nfs/dbraw/zinc/10/51/01/248105101.db2.gz HPOBVTYGVDWVIF-CQSZACIVSA-N 1 0 335.404 2.306 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000266445724 248305088 /nfs/dbraw/zinc/30/50/88/248305088.db2.gz WRPDUSWQEQRPQR-GHMZBOCLSA-N 1 0 345.346 2.088 20 5 EEBDRO Cc1nccn1CCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268877949 252325667 /nfs/dbraw/zinc/32/56/67/252325667.db2.gz QXJPMUQJKIUCSJ-CYBMUJFWSA-N 1 0 345.403 2.497 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000264933007 285110423 /nfs/dbraw/zinc/11/04/23/285110423.db2.gz QIXXATQTWXOYFJ-UHFFFAOYSA-N 1 0 336.310 2.011 20 5 EEBDRO CNc1nc(C(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000419900889 533076317 /nfs/dbraw/zinc/07/63/17/533076317.db2.gz RZJZSAXFOFWVLA-UHFFFAOYSA-N 1 0 335.408 2.074 20 5 EEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000119328536 285163647 /nfs/dbraw/zinc/16/36/47/285163647.db2.gz MYQVBEQNRJOHFB-MOPGFXCFSA-N 1 0 339.395 2.375 20 5 EEBDRO CC[NH+](CC)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116713098 220982906 /nfs/dbraw/zinc/98/29/06/220982906.db2.gz PWBSAPOKCAILDE-UHFFFAOYSA-N 1 0 343.811 2.475 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117746270 221085426 /nfs/dbraw/zinc/08/54/26/221085426.db2.gz MAWYDOGZKZLMOR-CYBMUJFWSA-N 1 0 325.796 2.391 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ncccc12 ZINC000267325413 256049037 /nfs/dbraw/zinc/04/90/37/256049037.db2.gz AXFBAKGYQQESCF-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270532418 256145412 /nfs/dbraw/zinc/14/54/12/256145412.db2.gz OOFJZUACTQIVCG-OAHLLOKOSA-N 1 0 334.420 2.121 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000275994493 256393753 /nfs/dbraw/zinc/39/37/53/256393753.db2.gz OAUDYCRYFRUHCB-UHFFFAOYSA-N 1 0 343.330 2.410 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000274664414 256377826 /nfs/dbraw/zinc/37/78/26/256377826.db2.gz GXQNEKYCZPNDTB-CYBMUJFWSA-N 1 0 341.433 2.054 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000276405565 256429355 /nfs/dbraw/zinc/42/93/55/256429355.db2.gz LISZRACPDXBNNA-CYBMUJFWSA-N 1 0 336.392 2.054 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3c[nH+]ccc32)s1 ZINC000181522984 533438360 /nfs/dbraw/zinc/43/83/60/533438360.db2.gz OHFBHNNCTZONPJ-UHFFFAOYSA-N 1 0 325.371 2.149 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372159252 143683743 /nfs/dbraw/zinc/68/37/43/143683743.db2.gz ZENIBFUMRXXPKN-KGLIPLIRSA-N 1 0 333.388 2.282 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC000123187790 292279380 /nfs/dbraw/zinc/27/93/80/292279380.db2.gz SUHQESXNELNIJD-DOMZBBRYSA-N 1 0 344.415 2.288 20 5 EEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359538404 153426169 /nfs/dbraw/zinc/42/61/69/153426169.db2.gz AXVPRXZYJKGSIY-MWLCHTKSSA-N 1 0 335.364 2.079 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000246512840 286381237 /nfs/dbraw/zinc/38/12/37/286381237.db2.gz QPHKCFWDULSQKY-WFASDCNBSA-N 1 0 333.388 2.160 20 5 EEBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000326865565 160544067 /nfs/dbraw/zinc/54/40/67/160544067.db2.gz SXSAMFWNSZYZAC-INIZCTEOSA-N 1 0 349.412 2.353 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106791081 159322527 /nfs/dbraw/zinc/32/25/27/159322527.db2.gz LUQPDCIPLWOBCR-ZDUSSCGKSA-N 1 0 332.404 2.140 20 5 EEBDRO CC(C)[NH+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000185880903 160050475 /nfs/dbraw/zinc/05/04/75/160050475.db2.gz OFUUQTPWOJEFGS-UHFFFAOYSA-N 1 0 343.449 2.382 20 5 EEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000216117533 160215751 /nfs/dbraw/zinc/21/57/51/160215751.db2.gz POXXBGZDVVNMLL-IUCAKERBSA-N 1 0 342.193 2.167 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340489435 160933864 /nfs/dbraw/zinc/93/38/64/160933864.db2.gz NCVREHAYDIUCKX-GJZGRUSLSA-N 1 0 330.392 2.206 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000341776520 161012606 /nfs/dbraw/zinc/01/26/06/161012606.db2.gz UVIILVHSUKFDDZ-ZDUSSCGKSA-N 1 0 330.388 2.102 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000342408451 161062996 /nfs/dbraw/zinc/06/29/96/161062996.db2.gz CDALOOYBEDUYNM-YSVLISHTSA-N 1 0 335.379 2.471 20 5 EEBDRO CO[C@H]1C[C@H](CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343875945 161176918 /nfs/dbraw/zinc/17/69/18/161176918.db2.gz LTVCEGUXKJFVCW-ZJUUUORDSA-N 1 0 348.325 2.164 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000345119435 161273201 /nfs/dbraw/zinc/27/32/01/161273201.db2.gz RETCFXKIOURAAX-AWEZNQCLSA-N 1 0 332.404 2.015 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348181868 161482849 /nfs/dbraw/zinc/48/28/49/161482849.db2.gz KHDUPMDOPPANGG-UKRRQHHQSA-N 1 0 335.404 2.373 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000352509358 162164571 /nfs/dbraw/zinc/16/45/71/162164571.db2.gz GGLQOPFARQYOHK-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354920950 163018152 /nfs/dbraw/zinc/01/81/52/163018152.db2.gz PGTJNRLBZDWLLH-JTQLQIEISA-N 1 0 337.767 2.062 20 5 EEBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000359816064 164177123 /nfs/dbraw/zinc/17/71/23/164177123.db2.gz VWFBFEGHGKKTPX-DZGCQCFKSA-N 1 0 342.399 2.326 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000360407727 164302524 /nfs/dbraw/zinc/30/25/24/164302524.db2.gz OVWOSRZNZWPFIE-CHWSQXEVSA-N 1 0 334.376 2.352 20 5 EEBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360622366 164353717 /nfs/dbraw/zinc/35/37/17/164353717.db2.gz XITYYCJXBIAATD-ZDUSSCGKSA-N 1 0 335.404 2.210 20 5 EEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369250663 166221257 /nfs/dbraw/zinc/22/12/57/166221257.db2.gz MDAYOTUDJZYWIL-DLBZAZTESA-N 1 0 330.388 2.416 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000374439055 167042704 /nfs/dbraw/zinc/04/27/04/167042704.db2.gz SYWPWKRHKZELMN-OAHLLOKOSA-N 1 0 333.388 2.208 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000374841076 167049063 /nfs/dbraw/zinc/04/90/63/167049063.db2.gz DDPSVWGEFKLFSP-NSHDSACASA-N 1 0 336.367 2.017 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccc2c1 ZINC000375901299 167222399 /nfs/dbraw/zinc/22/23/99/167222399.db2.gz BBKXQFWDFSMBDN-SJORKVTESA-N 1 0 342.399 2.178 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000376232828 167286785 /nfs/dbraw/zinc/28/67/85/167286785.db2.gz QFRHTAGSTNRUAP-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272625731 269000876 /nfs/dbraw/zinc/00/08/76/269000876.db2.gz VLAITBHGTNHODS-WDEREUQCSA-N 1 0 341.795 2.226 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000275588619 269127221 /nfs/dbraw/zinc/12/72/21/269127221.db2.gz IUTBPLQZMSLLAR-IXDOHACOSA-N 1 0 330.388 2.078 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000281995975 269458320 /nfs/dbraw/zinc/45/83/20/269458320.db2.gz PXTSNEKEDAORTN-AWEZNQCLSA-N 1 0 346.431 2.396 20 5 EEBDRO COc1ncccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193429434 274060501 /nfs/dbraw/zinc/06/05/01/274060501.db2.gz VWXQVUOWMXHNTI-CYBMUJFWSA-N 1 0 329.360 2.080 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000193667498 274067499 /nfs/dbraw/zinc/06/74/99/274067499.db2.gz ZRNLYUJANSWZLX-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000236875301 274083773 /nfs/dbraw/zinc/08/37/73/274083773.db2.gz MOIZNVHUKQXUOT-UHFFFAOYSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000274508229 274201357 /nfs/dbraw/zinc/20/13/57/274201357.db2.gz UAJTYYGMPZCMDP-NSHDSACASA-N 1 0 327.816 2.081 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073535 274280745 /nfs/dbraw/zinc/28/07/45/274280745.db2.gz XLVOCWLLTKDHPC-NTZNESFSSA-N 1 0 332.360 2.266 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000354580415 274355460 /nfs/dbraw/zinc/35/54/60/274355460.db2.gz TXZVMQQHZVXGEC-UONOGXRCSA-N 1 0 327.388 2.484 20 5 EEBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493240692 275039464 /nfs/dbraw/zinc/03/94/64/275039464.db2.gz WPTRSIXIWJGRIN-ZDUSSCGKSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000288579239 275071971 /nfs/dbraw/zinc/07/19/71/275071971.db2.gz XHNNXHFYJBFSLO-WDEREUQCSA-N 1 0 336.367 2.015 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290036375 275173427 /nfs/dbraw/zinc/17/34/27/275173427.db2.gz SEWHSVYLEXEIAA-IRXDYDNUSA-N 1 0 347.415 2.353 20 5 EEBDRO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000290529681 275215601 /nfs/dbraw/zinc/21/56/01/275215601.db2.gz NXDAGXPMYJBDGF-ZDUSSCGKSA-N 1 0 335.408 2.011 20 5 EEBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000290882385 275248903 /nfs/dbraw/zinc/24/89/03/275248903.db2.gz CCKAUMDBPITEMI-FZMZJTMJSA-N 1 0 343.387 2.192 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000450858245 276300667 /nfs/dbraw/zinc/30/06/67/276300667.db2.gz LCTKUBFQYUMUCM-LBPRGKRZSA-N 1 0 336.392 2.087 20 5 EEBDRO C[NH2+]C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434269 277283701 /nfs/dbraw/zinc/28/37/01/277283701.db2.gz YOASWHCAEJSYIC-SECBINFHSA-N 1 0 329.198 2.188 20 5 EEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449586636 278310385 /nfs/dbraw/zinc/31/03/85/278310385.db2.gz GFTCUXBJPPRNEL-RKDXNWHRSA-N 1 0 348.325 2.268 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000346141733 279279400 /nfs/dbraw/zinc/27/94/00/279279400.db2.gz RERWYZQJOLJTSZ-GFCCVEGCSA-N 1 0 328.372 2.337 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000154017432 279817382 /nfs/dbraw/zinc/81/73/82/279817382.db2.gz ZRICPHKCMWGELF-IUCAKERBSA-N 1 0 331.294 2.436 20 5 EEBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173995612 280157255 /nfs/dbraw/zinc/15/72/55/280157255.db2.gz AQUVDBIJAALFJG-WMZOPIPTSA-N 1 0 346.431 2.414 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000183894020 281018259 /nfs/dbraw/zinc/01/82/59/281018259.db2.gz QHLWFRIJSHFGQW-AWEZNQCLSA-N 1 0 349.435 2.051 20 5 EEBDRO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261882875 290564254 /nfs/dbraw/zinc/56/42/54/290564254.db2.gz UIUNHZNAOMUHKF-DZGCQCFKSA-N 1 0 346.431 2.394 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000282465114 292828054 /nfs/dbraw/zinc/82/80/54/292828054.db2.gz KERMPZHTVQGKLO-ZBFHGGJFSA-N 1 0 326.368 2.390 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293654599 293262656 /nfs/dbraw/zinc/26/26/56/293262656.db2.gz HEGOMMVIYDIOCO-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293726288 293280299 /nfs/dbraw/zinc/28/02/99/293280299.db2.gz QBKPSWRMYRXRBH-CQSZACIVSA-N 1 0 346.431 2.340 20 5 EEBDRO Cc1cc(OCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000294187256 293391499 /nfs/dbraw/zinc/39/14/99/293391499.db2.gz PJEBMYOGHXUAGK-GOSISDBHSA-N 1 0 347.415 2.226 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297106839 294153450 /nfs/dbraw/zinc/15/34/50/294153450.db2.gz QPPQRAMSQGXLHV-AGUYFDCRSA-N 1 0 348.403 2.028 20 5 EEBDRO NC(=O)[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225156 294185301 /nfs/dbraw/zinc/18/53/01/294185301.db2.gz HMEXGFSUAGFKKB-HOCLYGCPSA-N 1 0 326.356 2.183 20 5 EEBDRO CC(C)[C@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000297310647 294208749 /nfs/dbraw/zinc/20/87/49/294208749.db2.gz BRSQXNYNZCQYSP-KRWDZBQOSA-N 1 0 346.387 2.282 20 5 EEBDRO CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161085793 311361851 /nfs/dbraw/zinc/36/18/51/311361851.db2.gz AVLSQCVKQUUZAA-LBPRGKRZSA-N 1 0 331.376 2.177 20 5 EEBDRO CCn1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000414213967 312983824 /nfs/dbraw/zinc/98/38/24/312983824.db2.gz VEXKYFBDQFHPMC-GFCCVEGCSA-N 1 0 331.376 2.318 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)o2)cc1 ZINC000414550592 313039259 /nfs/dbraw/zinc/03/92/59/313039259.db2.gz ACNRHMCWAKAQQS-XJKSGUPXSA-N 1 0 332.356 2.030 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000416309999 313207841 /nfs/dbraw/zinc/20/78/41/313207841.db2.gz XSIOMCXLCRUXBO-UHFFFAOYSA-N 1 0 340.383 2.481 20 5 EEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416661162 313288739 /nfs/dbraw/zinc/28/87/39/313288739.db2.gz LQUYMLYISPNBGB-UHFFFAOYSA-N 1 0 341.433 2.090 20 5 EEBDRO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420934899 314001804 /nfs/dbraw/zinc/00/18/04/314001804.db2.gz XVNVMELKZZUHRY-TZMCWYRMSA-N 1 0 338.408 2.234 20 5 EEBDRO C[NH+]1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000421336342 314087278 /nfs/dbraw/zinc/08/72/78/314087278.db2.gz MUDGOETZNBDSTJ-UHFFFAOYSA-N 1 0 345.378 2.493 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434698207 314858538 /nfs/dbraw/zinc/85/85/38/314858538.db2.gz DDYJRHJZSFPAPN-NHCYSSNCSA-N 1 0 341.795 2.272 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445514161 315357298 /nfs/dbraw/zinc/35/72/98/315357298.db2.gz SLYCTGBKJABPAU-IRXDYDNUSA-N 1 0 344.415 2.289 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445514164 315357715 /nfs/dbraw/zinc/35/77/15/315357715.db2.gz SLYCTGBKJABPAU-SJORKVTESA-N 1 0 344.415 2.289 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc([N+](=O)[O-])c1 ZINC000522000147 316945356 /nfs/dbraw/zinc/94/53/56/316945356.db2.gz KBVFHSGHYDNBNI-RDJZCZTQSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000524720895 317023781 /nfs/dbraw/zinc/02/37/81/317023781.db2.gz LBXADZGSNNWPDK-LBPRGKRZSA-N 1 0 332.404 2.241 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CCCCC2)c2c(c1)COCO2 ZINC000541051628 318091598 /nfs/dbraw/zinc/09/15/98/318091598.db2.gz RATUCBRXVNMQKO-INIZCTEOSA-N 1 0 336.388 2.492 20 5 EEBDRO CC[NH+]1CCC(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000563865074 319049772 /nfs/dbraw/zinc/04/97/72/319049772.db2.gz VTBPZLICJBZQSN-UHFFFAOYSA-N 1 0 344.415 2.467 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2ccc(Cl)cc2)c1 ZINC000567492637 319385245 /nfs/dbraw/zinc/38/52/45/319385245.db2.gz IZYHPSBPCCSWNS-OAHLLOKOSA-N 1 0 338.795 2.028 20 5 EEBDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567582990 319393215 /nfs/dbraw/zinc/39/32/15/319393215.db2.gz KBIKEYIRIKPMHB-RPVQJOFSSA-N 1 0 344.415 2.456 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000574355502 320017576 /nfs/dbraw/zinc/01/75/76/320017576.db2.gz WMSYLXAKELGNJG-JKSUJKDBSA-N 1 0 343.383 2.219 20 5 EEBDRO O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000574873215 320064918 /nfs/dbraw/zinc/06/49/18/320064918.db2.gz GNBKJVROQARBPM-ZFWWWQNUSA-N 1 0 333.388 2.424 20 5 EEBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577860331 320280556 /nfs/dbraw/zinc/28/05/56/320280556.db2.gz XKHHMAQEKBESLA-SMDDNHRTSA-N 1 0 349.387 2.160 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000358650918 465243140 /nfs/dbraw/zinc/24/31/40/465243140.db2.gz MSFFWRVTQDFABQ-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000590566493 468273956 /nfs/dbraw/zinc/27/39/56/468273956.db2.gz KODPOZQSZFSVDK-BBRMVZONSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)[NH+]1C ZINC000339619938 465392763 /nfs/dbraw/zinc/39/27/63/465392763.db2.gz KFJOVBGGOZPBTP-RYUDHWBXSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000127516045 462560150 /nfs/dbraw/zinc/56/01/50/462560150.db2.gz YVRWNHPCYMBTOJ-WDEREUQCSA-N 1 0 331.376 2.026 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000590689905 468308121 /nfs/dbraw/zinc/30/81/21/468308121.db2.gz DCFGDAZIDSRHDF-UHFFFAOYSA-N 1 0 330.388 2.036 20 5 EEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763950 462631875 /nfs/dbraw/zinc/63/18/75/462631875.db2.gz RPNJYSIBODBVLK-CQSZACIVSA-N 1 0 334.420 2.121 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153569124 462665159 /nfs/dbraw/zinc/66/51/59/462665159.db2.gz NTAODLZPUBQUFH-KRWDZBQOSA-N 1 0 333.388 2.344 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153569251 462665649 /nfs/dbraw/zinc/66/56/49/462665649.db2.gz NTAODLZPUBQUFH-QGZVFWFLSA-N 1 0 333.388 2.344 20 5 EEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000115273418 462703737 /nfs/dbraw/zinc/70/37/37/462703737.db2.gz QSHPPIPCZWUUKL-CHWSQXEVSA-N 1 0 339.392 2.055 20 5 EEBDRO C[NH2+]C[C@@H](C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000129553243 462712239 /nfs/dbraw/zinc/71/22/39/462712239.db2.gz DCWHKGCERRZYOA-MRVPVSSYSA-N 1 0 349.172 2.467 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076925921 462921862 /nfs/dbraw/zinc/92/18/62/462921862.db2.gz CJTWGNVSRDWFDR-AWEZNQCLSA-N 1 0 333.388 2.304 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000076925922 462922364 /nfs/dbraw/zinc/92/23/64/462922364.db2.gz CJTWGNVSRDWFDR-CQSZACIVSA-N 1 0 333.388 2.304 20 5 EEBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077429365 462983443 /nfs/dbraw/zinc/98/34/43/462983443.db2.gz VQKZIMHFFYZXLH-CHWSQXEVSA-N 1 0 332.404 2.492 20 5 EEBDRO COc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000067265442 462983951 /nfs/dbraw/zinc/98/39/51/462983951.db2.gz GADQXCQKIGTEJX-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000156789182 463068394 /nfs/dbraw/zinc/06/83/94/463068394.db2.gz RZFNHBORBBDEAE-TYNCELHUSA-N 1 0 331.372 2.205 20 5 EEBDRO O=C(NCCC[NH+]1CCCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067997980 463078381 /nfs/dbraw/zinc/07/83/81/463078381.db2.gz QQIBBDKPBVELTI-UHFFFAOYSA-N 1 0 345.403 2.467 20 5 EEBDRO COc1ccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026489102 463165167 /nfs/dbraw/zinc/16/51/67/463165167.db2.gz GXTWFKCPNOMICM-UHFFFAOYSA-N 1 0 342.399 2.363 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000027118371 463181720 /nfs/dbraw/zinc/18/17/20/463181720.db2.gz MOJIVSWHIUEKDQ-UHFFFAOYSA-N 1 0 346.431 2.402 20 5 EEBDRO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000158176816 463213060 /nfs/dbraw/zinc/21/30/60/463213060.db2.gz ROJLWLYHWAWJIY-LLVKDONJSA-N 1 0 339.392 2.023 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069534443 463271412 /nfs/dbraw/zinc/27/14/12/463271412.db2.gz ZFIYMJSQGBBJED-VIFPVBQESA-N 1 0 336.348 2.024 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000055400467 463315175 /nfs/dbraw/zinc/31/51/75/463315175.db2.gz VTFCIOIFHVQSDD-ZIAGYGMSSA-N 1 0 335.404 2.210 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000139302035 463321171 /nfs/dbraw/zinc/32/11/71/463321171.db2.gz XVAQEBDIAWTTKH-NWDGAFQWSA-N 1 0 337.376 2.041 20 5 EEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000161838340 463461422 /nfs/dbraw/zinc/46/14/22/463461422.db2.gz ZQIYHFNONWUEEZ-UONOGXRCSA-N 1 0 332.404 2.195 20 5 EEBDRO Nc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000071952818 463477828 /nfs/dbraw/zinc/47/78/28/463477828.db2.gz VDNKLEKTASHWTM-CYBMUJFWSA-N 1 0 328.376 2.044 20 5 EEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000162376828 463505300 /nfs/dbraw/zinc/50/53/00/463505300.db2.gz RSFXOLMZYPEJQU-PHIMTYICSA-N 1 0 326.194 2.009 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000072945189 463564953 /nfs/dbraw/zinc/56/49/53/463564953.db2.gz LBWOWSFCWWFSPT-STQMWFEESA-N 1 0 334.424 2.058 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108890516 463627124 /nfs/dbraw/zinc/62/71/24/463627124.db2.gz ADOXPSWUEWVSHE-NSHDSACASA-N 1 0 348.359 2.026 20 5 EEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+](C)C1CC1 ZINC000152043836 463635157 /nfs/dbraw/zinc/63/51/57/463635157.db2.gz MHIIPBLMNNLNLN-NSHDSACASA-N 1 0 328.372 2.356 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH+](C)C)C1 ZINC000109807586 463651146 /nfs/dbraw/zinc/65/11/46/463651146.db2.gz BVBHMQGKBBGJGH-HNNXBMFYSA-N 1 0 334.420 2.258 20 5 EEBDRO C[C@H](C[S@](C)=O)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118507 463754696 /nfs/dbraw/zinc/75/46/96/463754696.db2.gz JDBVBVGJLRGEIV-BGJPBQGDSA-N 1 0 337.401 2.449 20 5 EEBDRO CCN1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185150047 463762783 /nfs/dbraw/zinc/76/27/83/463762783.db2.gz ZUPYCMNNHYZEDO-LLVKDONJSA-N 1 0 341.408 2.379 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000287051062 463784169 /nfs/dbraw/zinc/78/41/69/463784169.db2.gz JHMQIPUCFKZBAH-DZGCQCFKSA-N 1 0 332.404 2.092 20 5 EEBDRO Cc1cnc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)s1 ZINC000185375460 463811995 /nfs/dbraw/zinc/81/19/95/463811995.db2.gz IRXOVJPBTGSGPK-CQSZACIVSA-N 1 0 334.401 2.262 20 5 EEBDRO CC(C)(C(=O)N1CCC2(CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000261713772 463836926 /nfs/dbraw/zinc/83/69/26/463836926.db2.gz GJAHSXCXXHEOEU-UHFFFAOYSA-N 1 0 331.416 2.475 20 5 EEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178174908 463856704 /nfs/dbraw/zinc/85/67/04/463856704.db2.gz OFCQUOWATNVSTD-UHFFFAOYSA-N 1 0 334.420 2.371 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000283387965 463868944 /nfs/dbraw/zinc/86/89/44/463868944.db2.gz GGPJJJZZEBGEKS-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277131631 463883945 /nfs/dbraw/zinc/88/39/45/463883945.db2.gz ZYFQKSKBHYXKRN-CYBMUJFWSA-N 1 0 341.433 2.008 20 5 EEBDRO C[NH2+]CCCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269207293 463908969 /nfs/dbraw/zinc/90/89/69/463908969.db2.gz MSQMMNIIAQIBLF-UHFFFAOYSA-N 1 0 348.325 2.141 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000262036620 463931778 /nfs/dbraw/zinc/93/17/78/463931778.db2.gz KQPMBZDJJWEQBF-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000269291704 463942962 /nfs/dbraw/zinc/94/29/62/463942962.db2.gz UVHAROAYZCYABJ-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000178759849 463965722 /nfs/dbraw/zinc/96/57/22/463965722.db2.gz HNMPYXCOTFWGPX-SNVBAGLBSA-N 1 0 327.768 2.155 20 5 EEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000283662808 463965917 /nfs/dbraw/zinc/96/59/17/463965917.db2.gz DVXVNZBKDQENKL-LLVKDONJSA-N 1 0 336.367 2.017 20 5 EEBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278989258 464020949 /nfs/dbraw/zinc/02/09/49/464020949.db2.gz DPNYWBUAYZFXLM-ABAIWWIYSA-N 1 0 338.429 2.342 20 5 EEBDRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626912 464039185 /nfs/dbraw/zinc/03/91/85/464039185.db2.gz CYIIYKWTZFLFDH-OSPHWJPCSA-N 1 0 348.424 2.498 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000179139602 464065112 /nfs/dbraw/zinc/06/51/12/464065112.db2.gz PFTZZUKWXCVWFM-GOEBONIOSA-N 1 0 334.416 2.437 20 5 EEBDRO Cn1cc(C[NH2+][C@H]2CC[C@H](O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269886564 464121962 /nfs/dbraw/zinc/12/19/62/464121962.db2.gz UWDWPFGGBNAQIZ-KOMQPUFPSA-N 1 0 330.388 2.388 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270043506 464167904 /nfs/dbraw/zinc/16/79/04/464167904.db2.gz DNUNCMLRGLSIJH-WOSRLPQWSA-N 1 0 335.404 2.323 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000173321444 464238945 /nfs/dbraw/zinc/23/89/45/464238945.db2.gz XDAIQZCRBNECEO-MRXNPFEDSA-N 1 0 348.378 2.350 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270780991 464266553 /nfs/dbraw/zinc/26/65/53/464266553.db2.gz JMVPKPYPLLABCU-GOEBONIOSA-N 1 0 340.383 2.500 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237663624 464361479 /nfs/dbraw/zinc/36/14/79/464361479.db2.gz ZVFGWONLMUETBA-HNNXBMFYSA-N 1 0 349.412 2.190 20 5 EEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000281296653 464405795 /nfs/dbraw/zinc/40/57/95/464405795.db2.gz PMBTXGBHGRXBRF-KRWDZBQOSA-N 1 0 336.388 2.387 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000281495353 464478363 /nfs/dbraw/zinc/47/83/63/464478363.db2.gz UIDGMYRJFRPJJN-OAHLLOKOSA-N 1 0 349.431 2.376 20 5 EEBDRO CCN1CC[NH+](C[C@H](C)CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000189447797 464507375 /nfs/dbraw/zinc/50/73/75/464507375.db2.gz MSJKQEFKMWKMFM-CQSZACIVSA-N 1 0 336.436 2.289 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272258092 464539852 /nfs/dbraw/zinc/53/98/52/464539852.db2.gz AIFDWGUXKYNZSR-SJCJKPOMSA-N 1 0 344.415 2.335 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000281813265 464594504 /nfs/dbraw/zinc/59/45/04/464594504.db2.gz UZNLSWDIELYIFD-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cc(Br)cn2)cs1 ZINC000285530581 464598034 /nfs/dbraw/zinc/59/80/34/464598034.db2.gz PUWXGCYCHGIWAF-UHFFFAOYSA-N 1 0 331.195 2.405 20 5 EEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000272463526 464621519 /nfs/dbraw/zinc/62/15/19/464621519.db2.gz SEIYURULANGSFE-UHFFFAOYSA-N 1 0 329.303 2.020 20 5 EEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285615382 464629004 /nfs/dbraw/zinc/62/90/04/464629004.db2.gz WBTZCIWQXJZJMJ-STQMWFEESA-N 1 0 335.408 2.045 20 5 EEBDRO Cc1nccnc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294869007 464631598 /nfs/dbraw/zinc/63/15/98/464631598.db2.gz COHBOIBNVKOJRU-GFCCVEGCSA-N 1 0 343.387 2.243 20 5 EEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000182445020 464656101 /nfs/dbraw/zinc/65/61/01/464656101.db2.gz DRXDLWFXIFABQO-WBVHZDCISA-N 1 0 346.431 2.263 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599928952 468415180 /nfs/dbraw/zinc/41/51/80/468415180.db2.gz UETILQWRFXLVQR-HNNXBMFYSA-N 1 0 332.404 2.063 20 5 EEBDRO COC(=O)C[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000272874704 464692940 /nfs/dbraw/zinc/69/29/40/464692940.db2.gz UDRGBJRHBPNNDE-ZDUSSCGKSA-N 1 0 345.355 2.220 20 5 EEBDRO CN(c1ccccc1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176219542 464722532 /nfs/dbraw/zinc/72/25/32/464722532.db2.gz CRSLUDNAWZSSBM-UHFFFAOYSA-N 1 0 329.404 2.392 20 5 EEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000176229038 464725477 /nfs/dbraw/zinc/72/54/77/464725477.db2.gz QBBZRWYKDMZNNH-UHFFFAOYSA-N 1 0 345.403 2.015 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000182905447 464754876 /nfs/dbraw/zinc/75/48/76/464754876.db2.gz DONSSQCSXXKAGK-INIZCTEOSA-N 1 0 329.356 2.165 20 5 EEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000176898667 464880077 /nfs/dbraw/zinc/88/00/77/464880077.db2.gz WHQICNACKBCRKT-UHFFFAOYSA-N 1 0 340.343 2.180 20 5 EEBDRO Nc1c(C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cccc1[N+](=O)[O-] ZINC000177060163 464920806 /nfs/dbraw/zinc/92/08/06/464920806.db2.gz AXLQTMQNXUKASU-WOSRLPQWSA-N 1 0 344.415 2.123 20 5 EEBDRO CC(C)(C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295786443 464963324 /nfs/dbraw/zinc/96/33/24/464963324.db2.gz ZHYQCERAFXSHJX-CJNGLKHVSA-N 1 0 349.431 2.242 20 5 EEBDRO CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000599985531 468428571 /nfs/dbraw/zinc/42/85/71/468428571.db2.gz FAYWTXOYEFPGAB-UHFFFAOYSA-N 1 0 344.415 2.492 20 5 EEBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286664303 464998525 /nfs/dbraw/zinc/99/85/25/464998525.db2.gz AZFLUACXPSOTCY-CQSZACIVSA-N 1 0 337.376 2.184 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593912808 468430893 /nfs/dbraw/zinc/43/08/93/468430893.db2.gz QPWXXUWMQBJICD-JJRVBVJISA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339623978 465398301 /nfs/dbraw/zinc/39/83/01/465398301.db2.gz UTFSSOTXOAZKCT-ZIAGYGMSSA-N 1 0 334.420 2.256 20 5 EEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593918430 468432720 /nfs/dbraw/zinc/43/27/20/468432720.db2.gz DCZRFMPKJBFJOF-XKQJLSEDSA-N 1 0 347.415 2.404 20 5 EEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000359551106 465449084 /nfs/dbraw/zinc/44/90/84/465449084.db2.gz ZFNVNQRMJFFENQ-PWSUYJOCSA-N 1 0 348.359 2.148 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591354644 468456041 /nfs/dbraw/zinc/45/60/41/468456041.db2.gz JRCAMCPLYBVDMO-YDHLFZDLSA-N 1 0 332.404 2.358 20 5 EEBDRO O=C(NC[C@H]1CCCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591358937 468458089 /nfs/dbraw/zinc/45/80/89/468458089.db2.gz SIWUWTAVSMKXBC-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349060174 465945845 /nfs/dbraw/zinc/94/58/45/465945845.db2.gz UMJQCJSHYQTZQI-GFCCVEGCSA-N 1 0 326.356 2.367 20 5 EEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000357367595 465982253 /nfs/dbraw/zinc/98/22/53/465982253.db2.gz URCCEIFBYXEKJF-UHFFFAOYSA-N 1 0 335.404 2.341 20 5 EEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1F ZINC000366908195 466009970 /nfs/dbraw/zinc/00/99/70/466009970.db2.gz CRLANCWKUASBPT-NVXWUHKLSA-N 1 0 337.395 2.467 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301698946 466013128 /nfs/dbraw/zinc/01/31/28/466013128.db2.gz RJJJMZDZQLUVLH-VIFPVBQESA-N 1 0 329.198 2.140 20 5 EEBDRO Cn1ccnc1[C@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625072 466019252 /nfs/dbraw/zinc/01/92/52/466019252.db2.gz VKAWZHQRHCONBM-QGZVFWFLSA-N 1 0 341.415 2.269 20 5 EEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254452 466032138 /nfs/dbraw/zinc/03/21/38/466032138.db2.gz BCMSXTKTJTXOCT-VBQJREDUSA-N 1 0 331.416 2.326 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000362820909 466051885 /nfs/dbraw/zinc/05/18/85/466051885.db2.gz SHBKTPYYBJWTJY-UONOGXRCSA-N 1 0 334.420 2.019 20 5 EEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000349379617 466089638 /nfs/dbraw/zinc/08/96/38/466089638.db2.gz CGTHMHKHLROFTH-MLGOLLRUSA-N 1 0 330.388 2.198 20 5 EEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353794737 466153680 /nfs/dbraw/zinc/15/36/80/466153680.db2.gz BKKCWXQOXXXBHT-DZGCQCFKSA-N 1 0 349.435 2.169 20 5 EEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000372155567 466191114 /nfs/dbraw/zinc/19/11/14/466191114.db2.gz GFSSXXGEAMNCGL-QWHCGFSZSA-N 1 0 334.372 2.320 20 5 EEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331749019 466231517 /nfs/dbraw/zinc/23/15/17/466231517.db2.gz ZSVKDYRNHZRASU-RDTXWAMCSA-N 1 0 347.415 2.105 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000304553621 466305932 /nfs/dbraw/zinc/30/59/32/466305932.db2.gz VXPLFQVFVKFRAY-QGZVFWFLSA-N 1 0 330.388 2.163 20 5 EEBDRO COc1c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332098399 466386495 /nfs/dbraw/zinc/38/64/95/466386495.db2.gz XSUSTGKLRWHZQK-QWHCGFSZSA-N 1 0 333.388 2.302 20 5 EEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362030354 466499517 /nfs/dbraw/zinc/49/95/17/466499517.db2.gz WFQOHCKBGLDOJG-WFASDCNBSA-N 1 0 328.340 2.026 20 5 EEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362080231 466539781 /nfs/dbraw/zinc/53/97/81/466539781.db2.gz RJXKBXDMBGOKQG-CRAIPNDOSA-N 1 0 332.448 2.053 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000373156912 466710270 /nfs/dbraw/zinc/71/02/70/466710270.db2.gz WPSKSZHZBIJGKM-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377150 466732164 /nfs/dbraw/zinc/73/21/64/466732164.db2.gz JXNBMIRZQLACMM-INWMFGNUSA-N 1 0 329.404 2.148 20 5 EEBDRO COC(=O)c1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373243802 466741025 /nfs/dbraw/zinc/74/10/25/466741025.db2.gz JNAWJDFWYSXHPL-UHFFFAOYSA-N 1 0 344.371 2.415 20 5 EEBDRO CCOc1ccc([C@H](C)NC[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416444 466743951 /nfs/dbraw/zinc/74/39/51/466743951.db2.gz QNELANWWUSJKKL-GUYCJALGSA-N 1 0 337.420 2.413 20 5 EEBDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417136046 466789751 /nfs/dbraw/zinc/78/97/51/466789751.db2.gz KBLGNEKFMKNLLG-CYUUQNCZSA-N 1 0 332.404 2.343 20 5 EEBDRO COC[C@]1(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423630111 466790460 /nfs/dbraw/zinc/79/04/60/466790460.db2.gz DFMYOHQHCDCYQH-QGZVFWFLSA-N 1 0 335.404 2.217 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417715306 466916075 /nfs/dbraw/zinc/91/60/75/466916075.db2.gz JSSUMTNMRKSWKN-UONOGXRCSA-N 1 0 334.420 2.309 20 5 EEBDRO C[NH2+]CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000418080783 467040720 /nfs/dbraw/zinc/04/07/20/467040720.db2.gz MYPQUWNHFAJRKQ-UHFFFAOYSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1c(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418085098 467040894 /nfs/dbraw/zinc/04/08/94/467040894.db2.gz WZEZSSYBKARNNY-CVEARBPZSA-N 1 0 346.431 2.434 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000377512166 467076909 /nfs/dbraw/zinc/07/69/09/467076909.db2.gz QFEUDQSYUNXNEP-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427809902 467179297 /nfs/dbraw/zinc/17/92/97/467179297.db2.gz WPZGQBVJFDUQSO-GFCCVEGCSA-N 1 0 337.424 2.122 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378229165 467235680 /nfs/dbraw/zinc/23/56/80/467235680.db2.gz NQOWRXDTJUQWLH-OAHLLOKOSA-N 1 0 347.415 2.354 20 5 EEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452018280 467305026 /nfs/dbraw/zinc/30/50/26/467305026.db2.gz QJYMTBLOYWECOD-GDBMZVCRSA-N 1 0 333.388 2.031 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420264983 467332568 /nfs/dbraw/zinc/33/25/68/467332568.db2.gz DIGBCAJZGZORJK-KBPBESRZSA-N 1 0 343.387 2.471 20 5 EEBDRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420317986 467354026 /nfs/dbraw/zinc/35/40/26/467354026.db2.gz VGEPQIAHYKJJQN-NSHDSACASA-N 1 0 340.811 2.248 20 5 EEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357954 467376447 /nfs/dbraw/zinc/37/64/47/467376447.db2.gz DYUKXELXBRZJKL-FTGAXOIBSA-N 1 0 340.811 2.163 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430195660 467407632 /nfs/dbraw/zinc/40/76/32/467407632.db2.gz OWOXXCQMDUJWSC-DOTOQJQBSA-N 1 0 338.404 2.259 20 5 EEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCOC(C)(C)C1 ZINC000434692618 467419696 /nfs/dbraw/zinc/41/96/96/467419696.db2.gz HODNSURWTQEVPL-UHFFFAOYSA-N 1 0 337.420 2.016 20 5 EEBDRO C[NH+](C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1cccs1 ZINC000420586937 467429606 /nfs/dbraw/zinc/42/96/06/467429606.db2.gz PAGYZZFNHQOJRB-GFCCVEGCSA-N 1 0 334.401 2.470 20 5 EEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435233887 467453543 /nfs/dbraw/zinc/45/35/43/467453543.db2.gz XXQFSITVBXZMOS-CQSZACIVSA-N 1 0 330.388 2.136 20 5 EEBDRO CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430951484 467480486 /nfs/dbraw/zinc/48/04/86/467480486.db2.gz LTPSDTAJLMQAPA-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CNCCO2)s1 ZINC000415095319 467488013 /nfs/dbraw/zinc/48/80/13/467488013.db2.gz LXRCOQPIDBAVQL-GFCCVEGCSA-N 1 0 333.413 2.401 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000415120358 467495203 /nfs/dbraw/zinc/49/52/03/467495203.db2.gz GSHWHOPKPDFIOF-RHSMWYFYSA-N 1 0 337.395 2.452 20 5 EEBDRO COc1cccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000435974108 467507135 /nfs/dbraw/zinc/50/71/35/467507135.db2.gz QBKLVDHNPJCZKP-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO COc1ccc(CSCC(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000449565944 467662838 /nfs/dbraw/zinc/66/28/38/467662838.db2.gz MBFFIFCAAOBKHB-LLVKDONJSA-N 1 0 341.433 2.080 20 5 EEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457940031 467734660 /nfs/dbraw/zinc/73/46/60/467734660.db2.gz HAGNQKLTXDKLQS-OAHLLOKOSA-N 1 0 334.420 2.168 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000458223645 467792661 /nfs/dbraw/zinc/79/26/61/467792661.db2.gz RKADJGJVNIWUOL-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c(OC(F)F)c1 ZINC000450590955 467875630 /nfs/dbraw/zinc/87/56/30/467875630.db2.gz FJFUPPSQXZJRHC-LBPRGKRZSA-N 1 0 345.346 2.455 20 5 EEBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493391959 467901953 /nfs/dbraw/zinc/90/19/53/467901953.db2.gz URNYAXQBBBWXGM-HJWRWDBZSA-N 1 0 347.415 2.177 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC(F)F ZINC000450788497 467908600 /nfs/dbraw/zinc/90/86/00/467908600.db2.gz HXLHJGKZBSAHRZ-TXEJJXNPSA-N 1 0 343.330 2.471 20 5 EEBDRO Cn1ccnc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869519 467960186 /nfs/dbraw/zinc/96/01/86/467960186.db2.gz ATBJUSIYUDXBPL-CYBMUJFWSA-N 1 0 343.387 2.146 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493768387 467979142 /nfs/dbraw/zinc/97/91/42/467979142.db2.gz OVWVHFQTGACFRO-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488195744 468076266 /nfs/dbraw/zinc/07/62/66/468076266.db2.gz DKOLIWYLCSFFPW-XJKSGUPXSA-N 1 0 334.420 2.194 20 5 EEBDRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000519517412 468163589 /nfs/dbraw/zinc/16/35/89/468163589.db2.gz DFIFTXXKEQEMPY-WMLDXEAASA-N 1 0 349.431 2.051 20 5 EEBDRO CCOc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000567674258 468180172 /nfs/dbraw/zinc/18/01/72/468180172.db2.gz GCSATPYAGLCNQA-AWEZNQCLSA-N 1 0 339.392 2.105 20 5 EEBDRO O=C(CC[NH2+][C@H](CO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000582666684 468575737 /nfs/dbraw/zinc/57/57/37/468575737.db2.gz YGUYADJJYCHNTB-HNNXBMFYSA-N 1 0 343.383 2.117 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1 ZINC000600712195 468629145 /nfs/dbraw/zinc/62/91/45/468629145.db2.gz UPICCYBIYUBGDK-OLZOCXBDSA-N 1 0 325.434 2.044 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592158847 468642545 /nfs/dbraw/zinc/64/25/45/468642545.db2.gz WRPDPQHQMFUAIA-HAQNSBGRSA-N 1 0 332.360 2.177 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1C ZINC000597712071 468647791 /nfs/dbraw/zinc/64/77/91/468647791.db2.gz ZPATXAMGAAFYBK-GOSISDBHSA-N 1 0 347.415 2.470 20 5 EEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597793322 468673127 /nfs/dbraw/zinc/67/31/27/468673127.db2.gz HAPKQUKMFKXHNW-LLVKDONJSA-N 1 0 341.795 2.089 20 5 EEBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C)C1 ZINC000592831700 468798918 /nfs/dbraw/zinc/79/89/18/468798918.db2.gz NTPVWZMCCPUIOV-LBPRGKRZSA-N 1 0 331.376 2.027 20 5 EEBDRO CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[N@H+](C)C1 ZINC000592832177 468799231 /nfs/dbraw/zinc/79/92/31/468799231.db2.gz SIFGYQNYJXVZGO-MRXNPFEDSA-N 1 0 344.415 2.492 20 5 EEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000601427698 468869090 /nfs/dbraw/zinc/86/90/90/468869090.db2.gz DXPSYBVEDWAXMY-UHFFFAOYSA-N 1 0 341.433 2.008 20 5 EEBDRO CC(C)n1cc(C2=CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000595514242 468884306 /nfs/dbraw/zinc/88/43/06/468884306.db2.gz CCLBSJMMOGPYFG-UHFFFAOYSA-N 1 0 345.407 2.143 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562036 468914519 /nfs/dbraw/zinc/91/45/19/468914519.db2.gz RZVLGBGATYNAOS-AWEZNQCLSA-N 1 0 347.415 2.455 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[NH2+]1 ZINC000598574456 468919514 /nfs/dbraw/zinc/91/95/14/468919514.db2.gz RGTBQULRNIPKOT-INIZCTEOSA-N 1 0 330.388 2.075 20 5 EEBDRO COc1cc(CNCc2ccc(C[NH3+])cc2F)c([N+](=O)[O-])cc1OC ZINC000593318609 468937118 /nfs/dbraw/zinc/93/71/18/468937118.db2.gz QCRUXFGTOMEVAZ-UHFFFAOYSA-N 1 0 349.362 2.500 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680824 468957532 /nfs/dbraw/zinc/95/75/32/468957532.db2.gz DRFANFHOLXZVPU-CXAGYDPISA-N 1 0 332.404 2.045 20 5 EEBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000602651211 468988596 /nfs/dbraw/zinc/98/85/96/468988596.db2.gz RNCGEQZKPMRGNZ-UHFFFAOYSA-N 1 0 331.372 2.394 20 5 EEBDRO C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000610560150 469001758 /nfs/dbraw/zinc/00/17/58/469001758.db2.gz HZZBOIWHQYYQAZ-VIFPVBQESA-N 1 0 348.325 2.092 20 5 EEBDRO COc1cc(C[NH2+][C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602722722 469032578 /nfs/dbraw/zinc/03/25/78/469032578.db2.gz BWSYSXFSJYGWRJ-JGZJWPJOSA-N 1 0 346.330 2.108 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610714606 469048357 /nfs/dbraw/zinc/04/83/57/469048357.db2.gz VMHKVZIXJSLRAW-HWPZZCPQSA-N 1 0 328.372 2.289 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936090 469092277 /nfs/dbraw/zinc/09/22/77/469092277.db2.gz XCGPFCVNOXUCBD-OAHLLOKOSA-N 1 0 347.415 2.212 20 5 EEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601968293 469118187 /nfs/dbraw/zinc/11/81/87/469118187.db2.gz DSPVWWOKYOHQMT-HDICACEKSA-N 1 0 343.427 2.475 20 5 EEBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000596124435 469167242 /nfs/dbraw/zinc/16/72/42/469167242.db2.gz WOYZOEFKOINXDD-GFCCVEGCSA-N 1 0 332.282 2.487 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOC2)CC1 ZINC000611177314 469183434 /nfs/dbraw/zinc/18/34/34/469183434.db2.gz DUTSPZZEOKZKRN-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563169094 469187581 /nfs/dbraw/zinc/18/75/81/469187581.db2.gz FMQARFLXEJHUPM-CHWSQXEVSA-N 1 0 334.420 2.053 20 5 EEBDRO NC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596552413 469299814 /nfs/dbraw/zinc/29/98/14/469299814.db2.gz LSQBWTQMDIHCHV-HNNXBMFYSA-N 1 0 340.383 2.380 20 5 EEBDRO CCc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)on1 ZINC000602499309 469340846 /nfs/dbraw/zinc/34/08/46/469340846.db2.gz JELWUXPAQQGWCD-UHFFFAOYSA-N 1 0 331.376 2.299 20 5 EEBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602511848 469344179 /nfs/dbraw/zinc/34/41/79/469344179.db2.gz UUTVHNWZXWNUND-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC000603422251 469390432 /nfs/dbraw/zinc/39/04/32/469390432.db2.gz DUUQVTKROMRSEK-INIZCTEOSA-N 1 0 348.447 2.112 20 5 EEBDRO CC(C)[NH2+][C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386393 469924297 /nfs/dbraw/zinc/92/42/97/469924297.db2.gz RKLWNZRFHMUKDZ-OAHLLOKOSA-N 1 0 334.420 2.386 20 5 EEBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCOC1 ZINC000609767154 469960776 /nfs/dbraw/zinc/96/07/76/469960776.db2.gz AMWKUPATAIVHFX-ZDUSSCGKSA-N 1 0 349.387 2.251 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602538261 485641460 /nfs/dbraw/zinc/64/14/60/485641460.db2.gz BUYAEGSNWDWTKO-IUCAKERBSA-N 1 0 337.323 2.256 20 5 EEBDRO Cc1c(CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000160271811 533830191 /nfs/dbraw/zinc/83/01/91/533830191.db2.gz WPKLADFDBYWYQE-OKILXGFUSA-N 1 0 349.431 2.061 20 5 EEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183345470 533956551 /nfs/dbraw/zinc/95/65/51/533956551.db2.gz JDDAUOWPNASBTP-WDEREUQCSA-N 1 0 331.376 2.315 20 5 EEBDRO CNc1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000456019722 536422922 /nfs/dbraw/zinc/42/29/22/536422922.db2.gz SPKGBKYHRFWWPF-UHFFFAOYSA-N 1 0 347.419 2.122 20 5 EEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000425048762 536488666 /nfs/dbraw/zinc/48/86/66/536488666.db2.gz CTUZRRQLARQZRA-BLLLJJGKSA-N 1 0 340.383 2.309 20 5 EEBDRO COc1ccccc1C[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000264089409 537043023 /nfs/dbraw/zinc/04/30/23/537043023.db2.gz PXDHFRRAUMCHDG-UHFFFAOYSA-N 1 0 346.383 2.477 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCC[NH+]1CCCC1 ZINC000729328549 576631058 /nfs/dbraw/zinc/63/10/58/576631058.db2.gz RJJYMJVCNJNPNI-UHFFFAOYSA-N 1 0 335.404 2.486 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000732667199 577187422 /nfs/dbraw/zinc/18/74/22/577187422.db2.gz KZKOTIHIGUEZBB-UHFFFAOYSA-N 1 0 338.364 2.050 20 5 EEBDRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777444975 577479062 /nfs/dbraw/zinc/47/90/62/577479062.db2.gz CSSCXDUEWQIPQJ-KRWDZBQOSA-N 1 0 329.356 2.376 20 5 EEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000766819402 577525234 /nfs/dbraw/zinc/52/52/34/577525234.db2.gz GTYLHHXAXBOVOJ-UHFFFAOYSA-N 1 0 337.424 2.104 20 5 EEBDRO CC[N@H+](C[C@@H]1CCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752790726 577776179 /nfs/dbraw/zinc/77/61/79/577776179.db2.gz BXBCPQDNSQZHNK-AWEZNQCLSA-N 1 0 348.403 2.153 20 5 EEBDRO COc1ccc(OCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250564 577803114 /nfs/dbraw/zinc/80/31/14/577803114.db2.gz JXDHPJMFTFPSMU-QGZVFWFLSA-N 1 0 332.356 2.305 20 5 EEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000754777802 577812700 /nfs/dbraw/zinc/81/27/00/577812700.db2.gz LDNAFLYGQSAERL-AWEZNQCLSA-N 1 0 345.403 2.011 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638873 577979314 /nfs/dbraw/zinc/97/93/14/577979314.db2.gz LZHXMKBOCLDCBI-PKOBYXMFSA-N 1 0 341.411 2.492 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000749662768 577979580 /nfs/dbraw/zinc/97/95/80/577979580.db2.gz CPPJNMAEWRUIQI-SUMWQHHRSA-N 1 0 328.368 2.469 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000890878252 675693229 /nfs/dbraw/zinc/69/32/29/675693229.db2.gz AOSQITZWYOMRRX-UHFFFAOYSA-N 1 0 342.827 2.490 20 5 EEBDRO Cc1nscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021986667 676570372 /nfs/dbraw/zinc/57/03/72/676570372.db2.gz WQBZODMAUHBKIN-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000934398458 678334626 /nfs/dbraw/zinc/33/46/26/678334626.db2.gz ZKRZYDMVEXFTMW-NYUZSIGZSA-N 1 0 329.400 2.440 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892457839 679869045 /nfs/dbraw/zinc/86/90/45/679869045.db2.gz PDEZCCAVLYGSBA-UHFFFAOYSA-N 1 0 332.404 2.145 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cncs1 ZINC000983261548 682133643 /nfs/dbraw/zinc/13/36/43/682133643.db2.gz DZPIEYMFOGVICN-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO Cn1c2ccccc2c(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000894427500 682891953 /nfs/dbraw/zinc/89/19/53/682891953.db2.gz KHCGJQXUQYJYOP-TXEJJXNPSA-N 1 0 330.388 2.199 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1ccco1 ZINC001025655554 683221930 /nfs/dbraw/zinc/22/19/30/683221930.db2.gz FRFGRMODYZESCK-VIKVFOODSA-N 1 0 327.340 2.048 20 5 EEBDRO O=C(CC1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020035941 683525951 /nfs/dbraw/zinc/52/59/51/683525951.db2.gz TYEDUJSIBDCRDN-WKILWMFISA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001020018393 683530385 /nfs/dbraw/zinc/53/03/85/683530385.db2.gz YVVHDKFPCZWODY-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO CC[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000119463292 683549674 /nfs/dbraw/zinc/54/96/74/683549674.db2.gz LCRWKLKVTUZLTC-GFCCVEGCSA-N 1 0 332.360 2.053 20 5 EEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000895228251 684311096 /nfs/dbraw/zinc/31/10/96/684311096.db2.gz XGHUCQYDHCCBKR-KGLIPLIRSA-N 1 0 335.404 2.416 20 5 EEBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000896650839 685153217 /nfs/dbraw/zinc/15/32/17/685153217.db2.gz NFTFKLQXGXFXKO-AWEZNQCLSA-N 1 0 334.420 2.121 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893399955 685713229 /nfs/dbraw/zinc/71/32/29/685713229.db2.gz BSLJCQRDMPYAPG-CMPLNLGQSA-N 1 0 346.836 2.204 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125193031 686929275 /nfs/dbraw/zinc/92/92/75/686929275.db2.gz ATHDGMPBJCVPHG-ZJUUUORDSA-N 1 0 347.824 2.105 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)n2)c1 ZINC000129012374 1177614570 /nfs/dbraw/zinc/61/45/70/1177614570.db2.gz ITCCHJUAZZPJOX-ZBFHGGJFSA-N 1 0 343.387 2.312 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000905522154 1189768160 /nfs/dbraw/zinc/76/81/60/1189768160.db2.gz WMXIOFQIWATBBY-LBPRGKRZSA-N 1 0 349.412 2.070 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC2CCSCC2)c1 ZINC000905703718 1189874022 /nfs/dbraw/zinc/87/40/22/1189874022.db2.gz JHIVIEFGGNDSKN-HNNXBMFYSA-N 1 0 326.418 2.130 20 5 EEBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905867401 1189943427 /nfs/dbraw/zinc/94/34/27/1189943427.db2.gz NJGRLFFPZDROAO-RVBZMBCESA-N 1 0 327.768 2.200 20 5 EEBDRO Cc1ccc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001034643332 1196464132 /nfs/dbraw/zinc/46/41/32/1196464132.db2.gz MPKHYAHBMBOQHE-BRSBDYLESA-N 1 0 345.443 2.220 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000872090082 1198044615 /nfs/dbraw/zinc/04/46/15/1198044615.db2.gz LIWFIMMDBODCDQ-AAEUAGOBSA-N 1 0 325.434 2.034 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)O1 ZINC000865427248 1198211864 /nfs/dbraw/zinc/21/18/64/1198211864.db2.gz BNSQZYTUCSWUSR-RYUDHWBXSA-N 1 0 341.383 2.137 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000873126284 1198506861 /nfs/dbraw/zinc/50/68/61/1198506861.db2.gz CUZULQGPCIEYQJ-CYBMUJFWSA-N 1 0 326.418 2.126 20 5 EEBDRO COCCNC(=O)C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876561879 1199670939 /nfs/dbraw/zinc/67/09/39/1199670939.db2.gz VMOHNYUBJLZKTA-UHFFFAOYSA-N 1 0 349.431 2.186 20 5 EEBDRO CC1(O)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000877076331 1199858980 /nfs/dbraw/zinc/85/89/80/1199858980.db2.gz VTHMCQKQMYPWPG-UHFFFAOYSA-N 1 0 334.420 2.242 20 5 EEBDRO COc1cccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000877339752 1199907062 /nfs/dbraw/zinc/90/70/62/1199907062.db2.gz ANGLIYHTXHBNBL-AWEZNQCLSA-N 1 0 341.367 2.048 20 5 EEBDRO Cc1cccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000877347452 1199909906 /nfs/dbraw/zinc/90/99/06/1199909906.db2.gz XZRIVTWEACPTKD-OAHLLOKOSA-N 1 0 325.368 2.348 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CO)(CO)CC3)o2)cc1 ZINC000877797158 1200113702 /nfs/dbraw/zinc/11/37/02/1200113702.db2.gz DOQIZMDQWAMRPW-UHFFFAOYSA-N 1 0 346.383 2.422 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(Cl)cs1 ZINC001132872414 1200136664 /nfs/dbraw/zinc/13/66/64/1200136664.db2.gz KLDWCWIRHFGMKC-UHFFFAOYSA-N 1 0 340.792 2.224 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000811859106 1200364965 /nfs/dbraw/zinc/36/49/65/1200364965.db2.gz MZJQJGLWFCRIPH-SNVBAGLBSA-N 1 0 340.380 2.444 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961167 1201324392 /nfs/dbraw/zinc/32/43/92/1201324392.db2.gz ADMMIHCPMKINQW-STQMWFEESA-N 1 0 335.404 2.405 20 5 EEBDRO C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@]2(CCCOC2)O1 ZINC000794903578 1201451805 /nfs/dbraw/zinc/45/18/05/1201451805.db2.gz UWFYAUODYKYSJL-GUYCJALGSA-N 1 0 346.387 2.172 20 5 EEBDRO Cc1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000866426409 1201514556 /nfs/dbraw/zinc/51/45/56/1201514556.db2.gz BDPUWXHERUKURN-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000881937079 1201791906 /nfs/dbraw/zinc/79/19/06/1201791906.db2.gz OOQRYRGBEJGGLC-JTQLQIEISA-N 1 0 349.840 2.175 20 5 EEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868335691 1201793989 /nfs/dbraw/zinc/79/39/89/1201793989.db2.gz NOUNYDUDLDGKKH-SWLSCSKDSA-N 1 0 335.379 2.362 20 5 EEBDRO C[C@H]1C[NH+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000882075491 1201812226 /nfs/dbraw/zinc/81/22/26/1201812226.db2.gz WIPOIEGQODKCOT-RYUDHWBXSA-N 1 0 326.372 2.430 20 5 EEBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886266115 1202486199 /nfs/dbraw/zinc/48/61/99/1202486199.db2.gz ZXFNYARRMCPPQG-INIZCTEOSA-N 1 0 340.383 2.128 20 5 EEBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000829319906 1204959463 /nfs/dbraw/zinc/95/94/63/1204959463.db2.gz ITSKNEVMMPQFRI-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095418572 1205721851 /nfs/dbraw/zinc/72/18/51/1205721851.db2.gz QFTWNYUVTLDMNB-UHFFFAOYSA-N 1 0 334.420 2.020 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931047108 1206602804 /nfs/dbraw/zinc/60/28/04/1206602804.db2.gz XPIUQEQAKLKTFG-MFKMUULPSA-N 1 0 340.811 2.211 20 5 EEBDRO C[NH+](C)CC1(O)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000931483202 1207393063 /nfs/dbraw/zinc/39/30/63/1207393063.db2.gz XZHICSSQSNAYLO-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931959708 1207496946 /nfs/dbraw/zinc/49/69/46/1207496946.db2.gz FACOPNAWDVQTDM-DLBZAZTESA-N 1 0 331.416 2.499 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933904608 1207866566 /nfs/dbraw/zinc/86/65/66/1207866566.db2.gz ZBTIATBOFSPKQY-OAHLLOKOSA-N 1 0 349.387 2.069 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778899368 1208394962 /nfs/dbraw/zinc/39/49/62/1208394962.db2.gz NTRDKXWKIWSHFA-GFCCVEGCSA-N 1 0 336.344 2.355 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCNC(=O)C3CC3)CC2)c1 ZINC001111310248 1210113145 /nfs/dbraw/zinc/11/31/45/1210113145.db2.gz SYLQWTQLCGRBDR-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO CN(CCOCC1CC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000088507311 1212342882 /nfs/dbraw/zinc/34/28/82/1212342882.db2.gz GKCYJLWMAXPBNR-UHFFFAOYSA-N 1 0 331.376 2.169 20 5 EEBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114773703 1215265402 /nfs/dbraw/zinc/26/54/02/1215265402.db2.gz ZAUDCMXAGVKUKO-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1cccc(F)c1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963790653 1218040864 /nfs/dbraw/zinc/04/08/64/1218040864.db2.gz KEFMCYWKVNWSEA-YVXVDGILSA-N 1 0 347.390 2.008 20 5 EEBDRO Cc1cnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020130240 1229500362 /nfs/dbraw/zinc/50/03/62/1229500362.db2.gz QIIGGKFCXLISOH-JOCQHMNTSA-N 1 0 346.412 2.410 20 5 EEBDRO C[NH2+][C@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595539 1234537230 /nfs/dbraw/zinc/53/72/30/1234537230.db2.gz IAORADQJEGZCMG-MRVPVSSYSA-N 1 0 340.181 2.278 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1F ZINC000801510583 1235742712 /nfs/dbraw/zinc/74/27/12/1235742712.db2.gz YODBZTNCDXMBDK-HNNXBMFYSA-N 1 0 337.395 2.421 20 5 EEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000902544004 1237846849 /nfs/dbraw/zinc/84/68/49/1237846849.db2.gz VIMRHDXBFAASCL-CQSZACIVSA-N 1 0 348.403 2.122 20 5 EEBDRO O=C(CC1CC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048639844 1238163692 /nfs/dbraw/zinc/16/36/92/1238163692.db2.gz JPFFRFZVTPXWJT-IYBDPMFKSA-N 1 0 329.400 2.285 20 5 EEBDRO C[N@H+](CC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC001101462188 1245862196 /nfs/dbraw/zinc/86/21/96/1245862196.db2.gz LEPXLWNANRBFTG-UHFFFAOYSA-N 1 0 346.431 2.164 20 5 EEBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826865429 1248101656 /nfs/dbraw/zinc/10/16/56/1248101656.db2.gz OZVUAXNRPPLPCZ-KRWDZBQOSA-N 1 0 347.415 2.151 20 5 EEBDRO O=C(CCc1c[nH]cn1)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110383612 1279178192 /nfs/dbraw/zinc/17/81/92/1279178192.db2.gz ORJPXJQHNCXQDQ-UHFFFAOYSA-N 1 0 347.350 2.151 20 5 EEBDRO COCCCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199674755 1285769417 /nfs/dbraw/zinc/76/94/17/1285769417.db2.gz MVUQALGQCKVDEJ-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000853129100 1292291428 /nfs/dbraw/zinc/29/14/28/1292291428.db2.gz LHXGGBGPDGQVQD-RTBURBONSA-N 1 0 341.411 2.492 20 5 EEBDRO C[N@H+](C[C@@H]1CCCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853494512 1292397502 /nfs/dbraw/zinc/39/75/02/1292397502.db2.gz LELLUAMPOTVZEF-ZDUSSCGKSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1nocc1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780630 1295107243 /nfs/dbraw/zinc/10/72/43/1295107243.db2.gz MOVZNNWPPRJDGT-AWEZNQCLSA-N 1 0 331.328 2.323 20 5 EEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000861034962 1295224553 /nfs/dbraw/zinc/22/45/53/1295224553.db2.gz NPGRHXCBCBPWPP-INIZCTEOSA-N 1 0 336.388 2.181 20 5 EEBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001217967996 1297539383 /nfs/dbraw/zinc/53/93/83/1297539383.db2.gz MSNGPPIWDXVQCR-XCBNKYQSSA-N 1 0 348.140 2.186 20 5 EEBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001101643777 1299716088 /nfs/dbraw/zinc/71/60/88/1299716088.db2.gz ZBHJDNOXQVJDBD-UHFFFAOYSA-N 1 0 349.435 2.045 20 5 EEBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001225100891 1300890469 /nfs/dbraw/zinc/89/04/69/1300890469.db2.gz MRYYPWQABDECTM-WCVJEAGWSA-N 1 0 343.488 2.122 20 5 EEBDRO CSCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001225980526 1301220359 /nfs/dbraw/zinc/22/03/59/1301220359.db2.gz QOLFTJXKOUVPTP-UHFFFAOYSA-N 1 0 337.445 2.429 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)C[NH+]3CCCC3)CCC2)c1 ZINC001111813766 1303928585 /nfs/dbraw/zinc/92/85/85/1303928585.db2.gz ZXTOQDGICNUDRY-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001120874084 1309805366 /nfs/dbraw/zinc/80/53/66/1309805366.db2.gz IQVZBIJUPMTYOQ-LRDDRELGSA-N 1 0 329.404 2.189 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+]CC2(C)C)c1F ZINC001246811750 1310435516 /nfs/dbraw/zinc/43/55/16/1310435516.db2.gz WFHYSJUESYFESA-NSHDSACASA-N 1 0 325.384 2.357 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)[NH2+][C@H](C)C2)c1F ZINC001246963210 1310481421 /nfs/dbraw/zinc/48/14/21/1310481421.db2.gz HERIKTJLPWOLCS-UTUOFQBUSA-N 1 0 325.384 2.356 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1F ZINC000830015638 1314523768 /nfs/dbraw/zinc/52/37/68/1314523768.db2.gz ABPIBHUXTZGJIY-GXSJLCMTSA-N 1 0 339.342 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000830356326 1314534669 /nfs/dbraw/zinc/53/46/69/1314534669.db2.gz ZJSSTNVMXMGGGU-IAGOWNOFSA-N 1 0 334.347 2.481 20 5 EEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832085714 1314644041 /nfs/dbraw/zinc/64/40/41/1314644041.db2.gz VDMAVNMYGKIJPV-OLZOCXBDSA-N 1 0 337.332 2.324 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000839660549 1315227634 /nfs/dbraw/zinc/22/76/34/1315227634.db2.gz WKNIFJHSHCDDIR-LBPRGKRZSA-N 1 0 331.376 2.410 20 5 EEBDRO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839687938 1315233686 /nfs/dbraw/zinc/23/36/86/1315233686.db2.gz NDCKLNVDPORDIF-RKTXRCNFSA-N 1 0 331.416 2.163 20 5 EEBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000843092735 1315839949 /nfs/dbraw/zinc/83/99/49/1315839949.db2.gz DOMIBSDUJLTXCI-MJGOQNOKSA-N 1 0 344.411 2.438 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)Cc1ccccc1 ZINC000843101818 1315841842 /nfs/dbraw/zinc/84/18/42/1315841842.db2.gz OUBPGSWGJWBHDI-MORSLUCNSA-N 1 0 330.384 2.210 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843345758 1315894966 /nfs/dbraw/zinc/89/49/66/1315894966.db2.gz CJPLLJWQDMBSFL-OTYXRUKQSA-N 1 0 336.348 2.011 20 5 EEBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001152267971 1316651989 /nfs/dbraw/zinc/65/19/89/1316651989.db2.gz WRJMWALGUUSIFJ-UHFFFAOYSA-N 1 0 331.372 2.335 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001155032035 1317426369 /nfs/dbraw/zinc/42/63/69/1317426369.db2.gz WDKOWVJMVRQRMH-VXGBXAGGSA-N 1 0 336.392 2.214 20 5 EEBDRO [NH3+]CC1CN([C@H]2CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001155371526 1317567838 /nfs/dbraw/zinc/56/78/38/1317567838.db2.gz AQOCEOXATPAOEI-INIZCTEOSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2COCCC23C[NH2+]C3)nc1-c1ccccc1 ZINC001155472494 1317612089 /nfs/dbraw/zinc/61/20/89/1317612089.db2.gz VDTSSVAHFUAJSI-HNNXBMFYSA-N 1 0 340.383 2.447 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592436 1317663298 /nfs/dbraw/zinc/66/32/98/1317663298.db2.gz OZTPHBUKOLUIDJ-YGRLFVJLSA-N 1 0 326.784 2.214 20 5 EEBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001156394476 1317993202 /nfs/dbraw/zinc/99/32/02/1317993202.db2.gz FHERXXSXYJUMCA-RDTXWAMCSA-N 1 0 339.399 2.440 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC001254571754 1318126895 /nfs/dbraw/zinc/12/68/95/1318126895.db2.gz BFOPJDBUJNPCJC-WBVHZDCISA-N 1 0 328.368 2.092 20 5 EEBDRO Cn1cnnc1C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603669 1318140104 /nfs/dbraw/zinc/14/01/04/1318140104.db2.gz QATZWIQTDNCSBT-INIZCTEOSA-N 1 0 327.388 2.070 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157272358 1318536715 /nfs/dbraw/zinc/53/67/15/1318536715.db2.gz MOFRIPRDGKOTJG-BIYNOUFRSA-N 1 0 331.420 2.053 20 5 EEBDRO COc1cc(N2CCC([N@H+](CCN)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256084754 1318642130 /nfs/dbraw/zinc/64/21/30/1318642130.db2.gz HJXLTZQSZJIHEH-UHFFFAOYSA-N 1 0 336.436 2.241 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)C3(C)COC3)CC2)ccc1[N+](=O)[O-] ZINC001256100850 1318646627 /nfs/dbraw/zinc/64/66/27/1318646627.db2.gz QKVRHAIASCICSL-UHFFFAOYSA-N 1 0 335.404 2.293 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@@H](O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100463 1318646792 /nfs/dbraw/zinc/64/67/92/1318646792.db2.gz GKFXFGYPZXSYON-IAGOWNOFSA-N 1 0 349.431 2.321 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCOCC34CC4)CC2)ccc1[N+](=O)[O-] ZINC001256101635 1318646828 /nfs/dbraw/zinc/64/68/28/1318646828.db2.gz QCIZBZZNEZPPHW-UHFFFAOYSA-N 1 0 347.415 2.437 20 5 EEBDRO CC[N@H+](C1CN(C)C1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256102122 1318649907 /nfs/dbraw/zinc/64/99/07/1318649907.db2.gz WMMWEMBWLJVHOR-UHFFFAOYSA-N 1 0 348.447 2.208 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc2ccccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775288 1318853382 /nfs/dbraw/zinc/85/33/82/1318853382.db2.gz NUHLVJPLYZYQBF-IAGOWNOFSA-N 1 0 327.384 2.101 20 5 EEBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC(C)(C)C)C2CC[NH2+]CC2)n1 ZINC001157884354 1318916156 /nfs/dbraw/zinc/91/61/56/1318916156.db2.gz UXGCDNQBKOCAME-UHFFFAOYSA-N 1 0 337.424 2.306 20 5 EEBDRO C[N@H+](C1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1)[C@H]1CCOC1 ZINC001158731686 1319405972 /nfs/dbraw/zinc/40/59/72/1319405972.db2.gz UHFKIQLGWFCZFW-AWEZNQCLSA-N 1 0 328.372 2.052 20 5 EEBDRO [NH3+]CCc1cc2ccccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160126502 1320077112 /nfs/dbraw/zinc/07/71/12/1320077112.db2.gz WCYLIGASFSCJRU-UHFFFAOYSA-N 1 0 332.747 2.327 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@H]1CCCC[NH2+]1 ZINC001160145803 1320084567 /nfs/dbraw/zinc/08/45/67/1320084567.db2.gz ULYRYVMFRQNSIA-SECBINFHSA-N 1 0 342.783 2.374 20 5 EEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161468969 1320509992 /nfs/dbraw/zinc/50/99/92/1320509992.db2.gz AQQPOEXQIIVTHL-OAHLLOKOSA-N 1 0 341.415 2.381 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001162729217 1320942676 /nfs/dbraw/zinc/94/26/76/1320942676.db2.gz CZICTSQGARWUIY-LLVKDONJSA-N 1 0 344.799 2.186 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001162730933 1320942940 /nfs/dbraw/zinc/94/29/40/1320942940.db2.gz SLZBBRWXNYJQQQ-LBPRGKRZSA-N 1 0 344.799 2.186 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc1Cl ZINC001162795564 1320960339 /nfs/dbraw/zinc/96/03/39/1320960339.db2.gz WTICRXNZJRTQQT-XHNCKOQMSA-N 1 0 330.722 2.056 20 5 EEBDRO COc1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc1[N+](=O)[O-] ZINC001163049774 1321023252 /nfs/dbraw/zinc/02/32/52/1321023252.db2.gz LDIKQKAGTIYTSO-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001163080571 1321030150 /nfs/dbraw/zinc/03/01/50/1321030150.db2.gz FQZBSKZAXPFJQD-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO Cc1cc(Cl)nc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001163131544 1321047031 /nfs/dbraw/zinc/04/70/31/1321047031.db2.gz WHSROVHLZYVCEU-UHFFFAOYSA-N 1 0 349.822 2.498 20 5 EEBDRO CCCOCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163699288 1321196422 /nfs/dbraw/zinc/19/64/22/1321196422.db2.gz WTYRQDLAJUNRPO-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164062855 1321283591 /nfs/dbraw/zinc/28/35/91/1321283591.db2.gz OJAWVBUZVCBSQT-SFYZADRCSA-N 1 0 331.829 2.324 20 5 EEBDRO Cc1nc(Cl)nc(N2CCC3(CCCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001165246784 1321482845 /nfs/dbraw/zinc/48/28/45/1321482845.db2.gz OHUWYNZAISYQPP-UHFFFAOYSA-N 1 0 325.800 2.459 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1 ZINC001165274573 1321489982 /nfs/dbraw/zinc/48/99/82/1321489982.db2.gz PCPPFKHABCEVNY-ZFWWWQNUSA-N 1 0 348.790 2.364 20 5 EEBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[NH2+]CC[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001165299393 1321496057 /nfs/dbraw/zinc/49/60/57/1321496057.db2.gz LEZZKQLHQHZXHY-LSDHHAIUSA-N 1 0 325.372 2.301 20 5 EEBDRO Nc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165420497 1321522016 /nfs/dbraw/zinc/52/20/16/1321522016.db2.gz IMOSTXCOTMLNAI-KDOFPFPSSA-N 1 0 339.399 2.156 20 5 EEBDRO CC(C)OCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204686901 1322210351 /nfs/dbraw/zinc/21/03/51/1322210351.db2.gz RAVNYHLKDVFMHC-UHFFFAOYSA-N 1 0 349.431 2.348 20 5 EEBDRO C[C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C[C@H]1O ZINC001204858081 1322239371 /nfs/dbraw/zinc/23/93/71/1322239371.db2.gz NHHIQMWWGAEKJJ-KUHUBIRLSA-N 1 0 347.378 2.055 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001262577443 1322327706 /nfs/dbraw/zinc/32/77/06/1322327706.db2.gz QCZRNTZMDQVUOF-VHDGCEQUSA-N 1 0 332.404 2.215 20 5 EEBDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccc3cccnc3c2n1 ZINC001276597232 1324711392 /nfs/dbraw/zinc/71/13/92/1324711392.db2.gz IWLDKNARZFEDSY-HDICACEKSA-N 1 0 334.423 2.298 20 5 EEBDRO C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001306979068 1331505083 /nfs/dbraw/zinc/50/50/83/1331505083.db2.gz QBRRCVFBYCSZFI-GFCCVEGCSA-N 1 0 348.378 2.084 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)cc1[N+](=O)[O-] ZINC001320888282 1332972230 /nfs/dbraw/zinc/97/22/30/1332972230.db2.gz PWVXIQVYSGWOCZ-HNNXBMFYSA-N 1 0 338.404 2.118 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325326985 1333864369 /nfs/dbraw/zinc/86/43/69/1333864369.db2.gz RYYYJWNYIZCQTK-OSAQELSMSA-N 1 0 330.388 2.008 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001326029838 1334016734 /nfs/dbraw/zinc/01/67/34/1334016734.db2.gz AYUHACYXOQPJHQ-ZIAGYGMSSA-N 1 0 346.431 2.488 20 5 EEBDRO CCC[N@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609212956 1351894810 /nfs/dbraw/zinc/89/48/10/1351894810.db2.gz WXHOSAXMBXILNZ-UHFFFAOYSA-N 1 0 333.396 2.227 20 5 EEBDRO CC[NH+](CC)CCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609222952 1351900629 /nfs/dbraw/zinc/90/06/29/1351900629.db2.gz JCHFMILGUFJHEE-UHFFFAOYSA-N 1 0 333.396 2.227 20 5 EEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001327718578 1334338760 /nfs/dbraw/zinc/33/87/60/1334338760.db2.gz VHUGMMPLAZCWRT-CVEARBPZSA-N 1 0 349.435 2.179 20 5 EEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001328917808 1334547554 /nfs/dbraw/zinc/54/75/54/1334547554.db2.gz AHGQOTGQDVYELB-MEDUHNTESA-N 1 0 348.359 2.073 20 5 EEBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609320045 1351931974 /nfs/dbraw/zinc/93/19/74/1351931974.db2.gz VFDCFYWHAJMVEI-GFCCVEGCSA-N 1 0 346.391 2.023 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001330851451 1334914603 /nfs/dbraw/zinc/91/46/03/1334914603.db2.gz TZXMMDDFQUQOPP-KRWDZBQOSA-N 1 0 332.404 2.194 20 5 EEBDRO O=[N+]([O-])c1cc(CN2CCC([NH2+]C3CCOCC3)CC2)cs1 ZINC001332724395 1335891506 /nfs/dbraw/zinc/89/15/06/1335891506.db2.gz KQVOPALWYHTGDE-UHFFFAOYSA-N 1 0 325.434 2.389 20 5 EEBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001336721296 1336585443 /nfs/dbraw/zinc/58/54/43/1336585443.db2.gz GAEONJDHEKDZLO-KRWDZBQOSA-N 1 0 345.399 2.345 20 5 EEBDRO C[NH2+][C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001341030195 1337276460 /nfs/dbraw/zinc/27/64/60/1337276460.db2.gz RTSJQTSDYFIORK-HNNXBMFYSA-N 1 0 327.384 2.464 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001341166150 1337285659 /nfs/dbraw/zinc/28/56/59/1337285659.db2.gz MSVXJURMXVRJJA-UHFFFAOYSA-N 1 0 342.193 2.229 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(c2ccccn2)CC1 ZINC001353326231 1338239036 /nfs/dbraw/zinc/23/90/36/1338239036.db2.gz DPNUZFXUZCOHBT-CQSZACIVSA-N 1 0 343.383 2.051 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2cncc(Cl)c2)cc1 ZINC001353355264 1338246503 /nfs/dbraw/zinc/24/65/03/1338246503.db2.gz XIRHCJUDLZUHDH-OAHLLOKOSA-N 1 0 337.763 2.345 20 5 EEBDRO CC(C)Oc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000848659641 1338737352 /nfs/dbraw/zinc/73/73/52/1338737352.db2.gz OJBOVNCTEDHQPO-OLZOCXBDSA-N 1 0 336.392 2.052 20 5 EEBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001358477238 1339044966 /nfs/dbraw/zinc/04/49/66/1339044966.db2.gz YHLGEBPODGPLRF-LBPRGKRZSA-N 1 0 328.372 2.405 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001575799763 1343888406 /nfs/dbraw/zinc/88/84/06/1343888406.db2.gz YUKFJAIDNBJYKW-ZIAGYGMSSA-N 1 0 333.388 2.349 20 5 EEBDRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001576017758 1343947087 /nfs/dbraw/zinc/94/70/87/1343947087.db2.gz XFTMTZMIJMRXNH-GLJUWKHASA-N 1 0 346.431 2.469 20 5 EEBDRO CO[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001578908841 1344317708 /nfs/dbraw/zinc/31/77/08/1344317708.db2.gz KLHCETPPXRJQCB-WBVHZDCISA-N 1 0 335.404 2.090 20 5 EEBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001590084186 1349145457 /nfs/dbraw/zinc/14/54/57/1349145457.db2.gz XUKCPKAXOKXBPO-ZDUSSCGKSA-N 1 0 346.391 2.211 20 5 EEBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590259534 1349235489 /nfs/dbraw/zinc/23/54/89/1349235489.db2.gz LCDMXGFESNUJLG-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590260761 1349237704 /nfs/dbraw/zinc/23/77/04/1349237704.db2.gz RVCAGJCTDYFNAB-VXGBXAGGSA-N 1 0 345.407 2.307 20 5 EEBDRO CC[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001590445493 1349327710 /nfs/dbraw/zinc/32/77/10/1349327710.db2.gz BRUILMRCPLSYTQ-NSHDSACASA-N 1 0 331.380 2.061 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)c1 ZINC001593478581 1349812258 /nfs/dbraw/zinc/81/22/58/1349812258.db2.gz WENHOTBNSBJJCC-GJZGRUSLSA-N 1 0 343.391 2.204 20 5 EEBDRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001603262129 1350674609 /nfs/dbraw/zinc/67/46/09/1350674609.db2.gz AJGCDPHBLXVRSE-GFCCVEGCSA-N 1 0 333.396 2.163 20 5 EEBDRO C[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001603895461 1350796335 /nfs/dbraw/zinc/79/63/35/1350796335.db2.gz LJGLFLDLPRASQV-NEPJUHHUSA-N 1 0 345.407 2.450 20 5 EEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000852287830 1369258460 /nfs/dbraw/zinc/25/84/60/1369258460.db2.gz HFRVIVXAJPILIB-ZWKOTPCHSA-N 1 0 330.384 2.164 20 5 EEBDRO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853510043 1369342235 /nfs/dbraw/zinc/34/22/35/1369342235.db2.gz IMAXPRXRYSBWFL-ZDUSSCGKSA-N 1 0 337.420 2.193 20 5 EEBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000561231599 1369883855 /nfs/dbraw/zinc/88/38/55/1369883855.db2.gz GYKXYKLSASEBRV-FOSCPWQOSA-N 1 0 347.371 2.021 20 5 EEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2cc[nH+]cc2)CC1 ZINC001124008101 1372201853 /nfs/dbraw/zinc/20/18/53/1372201853.db2.gz UIVAFDYRNJQOMU-UHFFFAOYSA-N 1 0 340.383 2.318 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896304 1372573611 /nfs/dbraw/zinc/57/36/11/1372573611.db2.gz KKOWYQNOZRECBW-XTQGRXLLSA-N 1 0 345.403 2.481 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000839439568 1372902088 /nfs/dbraw/zinc/90/20/88/1372902088.db2.gz BEXAZXXZIRPKRO-JTQLQIEISA-N 1 0 327.331 2.428 20 5 EEBDRO C[C@H](c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001346938801 1372973015 /nfs/dbraw/zinc/97/30/15/1372973015.db2.gz VCGHNDKWHCTUCW-HIFRSBDPSA-N 1 0 348.451 2.090 20 5 EEBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NCc1ccccc1 ZINC000848527005 1373157037 /nfs/dbraw/zinc/15/70/37/1373157037.db2.gz OVNCJJPZECUYJC-INIZCTEOSA-N 1 0 325.368 2.488 20 5 EEBDRO CC(=O)N1CCC(OCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755343970 1407343266 /nfs/dbraw/zinc/34/32/66/1407343266.db2.gz KPNMAPKZZQBART-UHFFFAOYSA-N 1 0 341.433 2.164 20 5 EEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2C1 ZINC001580208024 1403846828 /nfs/dbraw/zinc/84/68/28/1403846828.db2.gz MXTSLYUAHFRORE-JTQLQIEISA-N 1 0 330.319 2.197 20 5 EEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001580250451 1403854257 /nfs/dbraw/zinc/85/42/57/1403854257.db2.gz NDZBSRRGUDFCKA-APPDUMDISA-N 1 0 328.372 2.420 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165938937 1405716988 /nfs/dbraw/zinc/71/69/88/1405716988.db2.gz WNUCHIFDIHXIHS-QPUJVOFHSA-N 1 0 342.193 2.215 20 5 EEBDRO Cc1c(C)c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001164726775 720517641 /nfs/dbraw/zinc/51/76/41/720517641.db2.gz DSEXFMXGJVEZKU-AWEZNQCLSA-N 1 0 344.419 2.001 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164773546 721286983 /nfs/dbraw/zinc/28/69/83/721286983.db2.gz RMHKHGKPKLUTCC-UHFFFAOYSA-N 1 0 339.399 2.460 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1coc(C2CC2)n1 ZINC001167738129 765643687 /nfs/dbraw/zinc/64/36/87/765643687.db2.gz QYNCOFZUNUNLLU-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO Cc1cnc(CCCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001129099245 784026014 /nfs/dbraw/zinc/02/60/14/784026014.db2.gz QFSNJKIDDGUAJV-UHFFFAOYSA-N 1 0 346.387 2.120 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1C1CC1 ZINC001136071800 785098878 /nfs/dbraw/zinc/09/88/78/785098878.db2.gz NUDONOZFFOLIBL-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000818340442 785246249 /nfs/dbraw/zinc/24/62/49/785246249.db2.gz MNWGOFXGCALGIW-OASPWFOLSA-N 1 0 340.811 2.435 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818522119 785270698 /nfs/dbraw/zinc/27/06/98/785270698.db2.gz BKCCXMPXYDLVEF-MFKMUULPSA-N 1 0 336.348 2.059 20 5 EEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522925 785271679 /nfs/dbraw/zinc/27/16/79/785271679.db2.gz HCIKWLWQPHRYIT-CQSZACIVSA-N 1 0 331.775 2.419 20 5 EEBDRO [NH3+]CCc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000818534392 785274663 /nfs/dbraw/zinc/27/46/63/785274663.db2.gz CWNITQKELVDSJS-UHFFFAOYSA-N 1 0 343.383 2.181 20 5 EEBDRO Nc1c(OCC[C@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000818619921 785303851 /nfs/dbraw/zinc/30/38/51/785303851.db2.gz OFKPDYXSSGDNGV-MRVPVSSYSA-N 1 0 330.182 2.318 20 5 EEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000818608486 785321523 /nfs/dbraw/zinc/32/15/23/785321523.db2.gz FNIUZNHVGDKWMH-LLVKDONJSA-N 1 0 325.315 2.037 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000819150993 785423778 /nfs/dbraw/zinc/42/37/78/785423778.db2.gz XMMDNUUJQPTXGF-CJNGLKHVSA-N 1 0 346.362 2.031 20 5 EEBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000819129210 785435819 /nfs/dbraw/zinc/43/58/19/785435819.db2.gz DGVLBDBLNNLRHS-INIZCTEOSA-N 1 0 330.388 2.423 20 5 EEBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CCCCC1 ZINC000819173269 785447126 /nfs/dbraw/zinc/44/71/26/785447126.db2.gz LMWCUQAGIKIKHD-YOEHRIQHSA-N 1 0 347.415 2.151 20 5 EEBDRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819190233 785455658 /nfs/dbraw/zinc/45/56/58/785455658.db2.gz IHTUWSGEBAEHDQ-ZWKOTPCHSA-N 1 0 327.384 2.405 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000912591635 788252175 /nfs/dbraw/zinc/25/21/75/788252175.db2.gz FQMCDPYJRVTGJT-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825110773 788440913 /nfs/dbraw/zinc/44/09/13/788440913.db2.gz INQUESLSKXZHMB-RHSMWYFYSA-N 1 0 349.431 2.399 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000844454820 789112589 /nfs/dbraw/zinc/11/25/89/789112589.db2.gz MDSNNNSOYNCAAI-PHIMTYICSA-N 1 0 325.315 2.429 20 5 EEBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923433106 789544865 /nfs/dbraw/zinc/54/48/65/789544865.db2.gz NKIOBRIPGUFHOE-KPZWWZAWSA-N 1 0 345.374 2.405 20 5 EEBDRO Cc1ncsc1CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146301795 791184023 /nfs/dbraw/zinc/18/40/23/791184023.db2.gz GGXZJMUXILUYRP-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO CC(C)c1ocnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146864509 791531773 /nfs/dbraw/zinc/53/17/73/791531773.db2.gz QWRKOMJGXDWSCR-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147141137 791728752 /nfs/dbraw/zinc/72/87/52/791728752.db2.gz VGXZDWLCPHTYPY-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO O=C(c1cnco1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997947541 791733715 /nfs/dbraw/zinc/73/37/15/791733715.db2.gz NUSUKNGTMUFHNE-UHFFFAOYSA-N 1 0 344.371 2.225 20 5 EEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(C)(C)C[NH+](C)C ZINC000173056928 791811434 /nfs/dbraw/zinc/81/14/34/791811434.db2.gz ITWGZQOTLQVQHL-LBPRGKRZSA-N 1 0 336.436 2.367 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173497466 791862170 /nfs/dbraw/zinc/86/21/70/791862170.db2.gz YXFMGZGGXIDEFF-AWEZNQCLSA-N 1 0 344.419 2.084 20 5 EEBDRO O=C(CCC[NH+]1CCCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC001093647979 795512730 /nfs/dbraw/zinc/51/27/30/795512730.db2.gz CFHLOYXCJQPHMY-UHFFFAOYSA-N 1 0 334.420 2.389 20 5 EEBDRO Cc1cc(NCCNC(=O)CCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001093704320 795580706 /nfs/dbraw/zinc/58/07/06/795580706.db2.gz HEFDYKCXIQOBST-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001093823734 795709260 /nfs/dbraw/zinc/70/92/60/795709260.db2.gz OMRDZVKTQRMYAN-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172898939 797128680 /nfs/dbraw/zinc/12/86/80/797128680.db2.gz JUSGGGWYRMJJEN-IRXDYDNUSA-N 1 0 331.416 2.443 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CC(C)C)C(N)=O)c1F ZINC001173181098 797279676 /nfs/dbraw/zinc/27/96/76/797279676.db2.gz ATNWDNPADAYWLX-CMPLNLGQSA-N 1 0 341.383 2.163 20 5 EEBDRO COCC[NH+](CCOC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184362 797280104 /nfs/dbraw/zinc/28/01/04/797280104.db2.gz LYNZKMFNSYGRMN-LBPRGKRZSA-N 1 0 344.383 2.268 20 5 EEBDRO COCC(=O)N1CCC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040558950 799137484 /nfs/dbraw/zinc/13/74/84/799137484.db2.gz HDVMWCVAZIXNLC-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000786813874 806910135 /nfs/dbraw/zinc/91/01/35/806910135.db2.gz NIXVOZQDYNPIPH-MLCXVWHNSA-N 1 0 331.416 2.451 20 5 EEBDRO CC(=O)NCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001112640510 806911317 /nfs/dbraw/zinc/91/13/17/806911317.db2.gz VEWXBCLXPPNFLH-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC001086397494 802892795 /nfs/dbraw/zinc/89/27/95/802892795.db2.gz UVGCXPAABSWBPP-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000361376789 802965280 /nfs/dbraw/zinc/96/52/80/802965280.db2.gz MVOHFBWORJOJCR-UHFFFAOYSA-N 1 0 326.418 2.084 20 5 EEBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168986117 803543701 /nfs/dbraw/zinc/54/37/01/803543701.db2.gz VYOUABSKRLHFTJ-SQNIBIBYSA-N 1 0 345.443 2.255 20 5 EEBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168998837 803563784 /nfs/dbraw/zinc/56/37/84/803563784.db2.gz QLASEPRNOIVATM-BJJXKVORSA-N 1 0 336.388 2.334 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ncccc2Br)C1 ZINC001169001522 803566688 /nfs/dbraw/zinc/56/66/88/803566688.db2.gz GUNYEUHPHVMDBD-WDEREUQCSA-N 1 0 328.210 2.422 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]1C2 ZINC001169006887 803568574 /nfs/dbraw/zinc/56/85/74/803568574.db2.gz ZPZBJABHMZAHGQ-QTVXIADOSA-N 1 0 339.436 2.419 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Br)nc2)C1 ZINC001168990178 803573734 /nfs/dbraw/zinc/57/37/34/803573734.db2.gz YAHINDDLGXPKOI-VXGBXAGGSA-N 1 0 328.210 2.422 20 5 EEBDRO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041016 803584038 /nfs/dbraw/zinc/58/40/38/803584038.db2.gz AJHXVUOQCKJHEE-WOSRLPQWSA-N 1 0 345.415 2.371 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCN3c3ncccn3)CC2)C1 ZINC001169018478 803586833 /nfs/dbraw/zinc/58/68/33/803586833.db2.gz COACGJPRYNTUDW-HZPDHXFCSA-N 1 0 345.447 2.357 20 5 EEBDRO O=C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1c1ccsc1 ZINC001169026954 803592232 /nfs/dbraw/zinc/59/22/32/803592232.db2.gz ZJAFVKHNKNKCIC-PAPYEOQZSA-N 1 0 335.429 2.373 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccsc1 ZINC001169026429 803592520 /nfs/dbraw/zinc/59/25/20/803592520.db2.gz WYYUTOXDXCISEF-ABHRYQDASA-N 1 0 335.429 2.088 20 5 EEBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1C1CC1 ZINC001169993898 805344962 /nfs/dbraw/zinc/34/49/62/805344962.db2.gz IRUPHZKFPVGCAN-UHFFFAOYSA-N 1 0 343.387 2.105 20 5 EEBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170296783 809869829 /nfs/dbraw/zinc/86/98/29/809869829.db2.gz IGRJUEIVDOOCOT-STQMWFEESA-N 1 0 337.420 2.381 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170304261 809873544 /nfs/dbraw/zinc/87/35/44/809873544.db2.gz AQLAZKSZTMFEMG-YVEFUNNKSA-N 1 0 331.372 2.253 20 5 EEBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC001170329919 809894962 /nfs/dbraw/zinc/89/49/62/809894962.db2.gz WVFDQRZCHKAEIO-ZDUSSCGKSA-N 1 0 347.415 2.137 20 5 EEBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)C1 ZINC000793766518 810502862 /nfs/dbraw/zinc/50/28/62/810502862.db2.gz LNYCSARNXMVMOL-GOSISDBHSA-N 1 0 341.415 2.443 20 5 EEBDRO CC(C)(C)n1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001130697323 811951093 /nfs/dbraw/zinc/95/10/93/811951093.db2.gz MNTOOFNKMAWXOT-UHFFFAOYSA-N 1 0 345.403 2.066 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001130872215 812133346 /nfs/dbraw/zinc/13/33/46/812133346.db2.gz RJRXZHWNMJZIKW-UHFFFAOYSA-N 1 0 340.339 2.256 20 5 EEBDRO Cc1onc(C2CC2)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131436454 812845562 /nfs/dbraw/zinc/84/55/62/812845562.db2.gz FNVPZYTZKRRVNI-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001520820131 1119195834 /nfs/dbraw/zinc/19/58/34/1119195834.db2.gz FQDYZETZRWLJMB-CYBMUJFWSA-N 1 0 338.456 2.192 20 5 EEBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001523018776 1119597842 /nfs/dbraw/zinc/59/78/42/1119597842.db2.gz NCIXNIKFYHCLSM-SECBINFHSA-N 1 0 342.193 2.168 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001523605778 1119816752 /nfs/dbraw/zinc/81/67/52/1119816752.db2.gz NVDYBHJTHIQVOT-ZLKJLUDKSA-N 1 0 335.429 2.462 20 5 EEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189616429 529432254 /nfs/dbraw/zinc/43/22/54/529432254.db2.gz LRCBCBNQTWZZJD-MRXNPFEDSA-N 1 0 332.360 2.382 20 5 EEBDRO CC[C@]1(CO)CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187521935 529424860 /nfs/dbraw/zinc/42/48/60/529424860.db2.gz MYXMZKJNMCJLAG-KRWDZBQOSA-N 1 0 338.404 2.467 20 5 EEBDRO CCc1ccc(C(=O)NC2CC[NH+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC000174169766 529602022 /nfs/dbraw/zinc/60/20/22/529602022.db2.gz PBXUUGHRJMPBPA-UHFFFAOYSA-N 1 0 349.431 2.388 20 5 EEBDRO CCc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000131264644 529602821 /nfs/dbraw/zinc/60/28/21/529602821.db2.gz SOAKADGSEFTRNN-MRXNPFEDSA-N 1 0 349.431 2.124 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171608026 529865881 /nfs/dbraw/zinc/86/58/81/529865881.db2.gz VEMDRMZLOFPLOA-UHFFFAOYSA-N 1 0 332.404 2.258 20 5 EEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC1CC[NH+](C)CC1 ZINC000171378817 530004296 /nfs/dbraw/zinc/00/42/96/530004296.db2.gz KSCKPRKJHJNNDN-UHFFFAOYSA-N 1 0 334.420 2.468 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068008102 215269447 /nfs/dbraw/zinc/26/94/47/215269447.db2.gz PZGAPUUIDRDGOM-LLVKDONJSA-N 1 0 338.383 2.310 20 5 EEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537789 234222253 /nfs/dbraw/zinc/22/22/53/234222253.db2.gz SZYVMTDEKOXTOE-BLLLJJGKSA-N 1 0 332.356 2.391 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422826758 240248722 /nfs/dbraw/zinc/24/87/22/240248722.db2.gz MBULVDPDEZTMQI-NSHDSACASA-N 1 0 341.386 2.406 20 5 EEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038097 240339826 /nfs/dbraw/zinc/33/98/26/240339826.db2.gz CNMGYTNWWOOTQF-BXUZGUMPSA-N 1 0 327.812 2.147 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423715023 240582553 /nfs/dbraw/zinc/58/25/53/240582553.db2.gz GXWMBEQUPSMIOW-OLZOCXBDSA-N 1 0 333.388 2.065 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000426888670 241352665 /nfs/dbraw/zinc/35/26/65/241352665.db2.gz IZEKJVCLQPNHLN-CHWSQXEVSA-N 1 0 335.404 2.454 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000426848742 241347629 /nfs/dbraw/zinc/34/76/29/241347629.db2.gz ABAYWEBSCAQLNH-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000234246715 242278360 /nfs/dbraw/zinc/27/83/60/242278360.db2.gz OIURGHLCQAWWML-ZDUSSCGKSA-N 1 0 346.225 2.390 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH3+])CC2)cc1SC ZINC000237121118 242490583 /nfs/dbraw/zinc/49/05/83/242490583.db2.gz KQDAEXPNXJLNDG-UHFFFAOYSA-N 1 0 339.417 2.325 20 5 EEBDRO Cc1nn(CCC(=O)NC(C)(C)CCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000456164284 244166196 /nfs/dbraw/zinc/16/61/96/244166196.db2.gz HHJLKANOAYSRGQ-UHFFFAOYSA-N 1 0 339.440 2.035 20 5 EEBDRO COc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000456681191 244325622 /nfs/dbraw/zinc/32/56/22/244325622.db2.gz GSQMDAZAMGNWSM-UHFFFAOYSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCn1cccn1 ZINC000111281183 220133812 /nfs/dbraw/zinc/13/38/12/220133812.db2.gz SBTIJKDLVCUVOW-UHFFFAOYSA-N 1 0 331.376 2.060 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000266357197 248262754 /nfs/dbraw/zinc/26/27/54/248262754.db2.gz KEAMAWNNZUGOSI-LLVKDONJSA-N 1 0 344.362 2.244 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112204258 220260860 /nfs/dbraw/zinc/26/08/60/220260860.db2.gz PZJIHHPYRKOKAO-CQSZACIVSA-N 1 0 348.403 2.171 20 5 EEBDRO Cc1nc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000268539959 252007401 /nfs/dbraw/zinc/00/74/01/252007401.db2.gz ZBUIBKUIDKHUSL-GASCZTMLSA-N 1 0 347.463 2.293 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCC2 ZINC000193108049 285144912 /nfs/dbraw/zinc/14/49/12/285144912.db2.gz VMODNAPMPOQPCL-DOTOQJQBSA-N 1 0 348.399 2.484 20 5 EEBDRO COC[C@@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153705817 224144736 /nfs/dbraw/zinc/14/47/36/224144736.db2.gz HDKWZCVCUGXUGO-AWEZNQCLSA-N 1 0 337.401 2.205 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000124709794 296400914 /nfs/dbraw/zinc/40/09/14/296400914.db2.gz BEDXHCSBPSDXRF-ZIAGYGMSSA-N 1 0 346.431 2.265 20 5 EEBDRO Cc1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268963422 255505001 /nfs/dbraw/zinc/50/50/01/255505001.db2.gz LTJIFETVOJMLNA-HOCLYGCPSA-N 1 0 334.420 2.478 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268157626 256120195 /nfs/dbraw/zinc/12/01/95/256120195.db2.gz HIJWLIHKYCEQRO-TVQRCGJNSA-N 1 0 348.359 2.024 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000270334198 256124315 /nfs/dbraw/zinc/12/43/15/256124315.db2.gz IVYLMOHQBKDQDE-JKSUJKDBSA-N 1 0 332.404 2.063 20 5 EEBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000270683125 256160006 /nfs/dbraw/zinc/16/00/06/256160006.db2.gz VNSYDKPSLBVLSY-CJNGLKHVSA-N 1 0 331.372 2.423 20 5 EEBDRO Cc1nc(NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000270715223 256163885 /nfs/dbraw/zinc/16/38/85/256163885.db2.gz MNFLXMZCMHVAPH-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EEBDRO CN(Cc1nccn1C)c1c(Br)cncc1[N+](=O)[O-] ZINC000270955663 256191215 /nfs/dbraw/zinc/19/12/15/256191215.db2.gz PRRHTMRIGZWCNY-UHFFFAOYSA-N 1 0 326.154 2.122 20 5 EEBDRO CCC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000270953908 256191646 /nfs/dbraw/zinc/19/16/46/256191646.db2.gz LWWHUQTXOJZEMA-QGZVFWFLSA-N 1 0 349.431 2.097 20 5 EEBDRO CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1[NH+](C)C ZINC000271122446 256210544 /nfs/dbraw/zinc/21/05/44/256210544.db2.gz LAIFHQNAIMXQSZ-KGLIPLIRSA-N 1 0 348.428 2.194 20 5 EEBDRO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000272824281 256241653 /nfs/dbraw/zinc/24/16/53/256241653.db2.gz LOMRUYLYVCMKTJ-AAEUAGOBSA-N 1 0 334.376 2.304 20 5 EEBDRO O=C(CC[NH+]1CCC(CCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000272873975 256245575 /nfs/dbraw/zinc/24/55/75/256245575.db2.gz AZNTUIFCXHCFLF-UHFFFAOYSA-N 1 0 335.404 2.408 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000273272000 256282813 /nfs/dbraw/zinc/28/28/13/256282813.db2.gz GPXWJDWHLZEUIJ-NEPJUHHUSA-N 1 0 331.376 2.315 20 5 EEBDRO CCOc1cc(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276851599 256473581 /nfs/dbraw/zinc/47/35/81/256473581.db2.gz DSYIZWFOBQBWGE-HOCLYGCPSA-N 1 0 339.461 2.471 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000344961827 292290416 /nfs/dbraw/zinc/29/04/16/292290416.db2.gz HLZRHECNQQXZBN-KGLIPLIRSA-N 1 0 335.404 2.223 20 5 EEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000126305104 292309007 /nfs/dbraw/zinc/30/90/07/292309007.db2.gz ZXXHPXOIEPWWCK-ZDUSSCGKSA-N 1 0 337.424 2.021 20 5 EEBDRO CCCc1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000068609363 159021860 /nfs/dbraw/zinc/02/18/60/159021860.db2.gz FINNHXHNFRZILP-GFCCVEGCSA-N 1 0 337.424 2.265 20 5 EEBDRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000075485588 159075039 /nfs/dbraw/zinc/07/50/39/159075039.db2.gz LFNFNUVMRTWHPC-UHFFFAOYSA-N 1 0 345.403 2.242 20 5 EEBDRO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000076948201 159093870 /nfs/dbraw/zinc/09/38/70/159093870.db2.gz IJYCRGQYOWOKGC-UHFFFAOYSA-N 1 0 338.383 2.310 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185594485 160041903 /nfs/dbraw/zinc/04/19/03/160041903.db2.gz TYVQHZNOWUIURI-NHYWBVRUSA-N 1 0 341.367 2.348 20 5 EEBDRO Cc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000187032906 160090466 /nfs/dbraw/zinc/09/04/66/160090466.db2.gz XYFYPSLAXDCMQS-HNNXBMFYSA-N 1 0 344.371 2.037 20 5 EEBDRO COC(=O)c1cnc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000189384637 160140806 /nfs/dbraw/zinc/14/08/06/160140806.db2.gz VYSTWBLYYIASMP-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193851121 160188294 /nfs/dbraw/zinc/18/82/94/160188294.db2.gz OKLMUKPVRKWKAC-ZDUSSCGKSA-N 1 0 343.387 2.444 20 5 EEBDRO CC[C@@H](CSC)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245572041 160243238 /nfs/dbraw/zinc/24/32/38/160243238.db2.gz CFRQKBQMERMOFQ-GXTWGEPZSA-N 1 0 328.434 2.408 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000339940739 160884272 /nfs/dbraw/zinc/88/42/72/160884272.db2.gz AJQGQUBAFNBXON-ZDUSSCGKSA-N 1 0 337.424 2.036 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341690924 161005413 /nfs/dbraw/zinc/00/54/13/161005413.db2.gz WTVZKGNADPAZRU-OWCLPIDISA-N 1 0 348.447 2.094 20 5 EEBDRO CS[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000342707300 161084728 /nfs/dbraw/zinc/08/47/28/161084728.db2.gz YMOWRJQUNDEOIL-ZJUUUORDSA-N 1 0 339.446 2.081 20 5 EEBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342740637 161087174 /nfs/dbraw/zinc/08/71/74/161087174.db2.gz PXMRUNLDQXFJJK-SNVBAGLBSA-N 1 0 332.385 2.058 20 5 EEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343266940 161118720 /nfs/dbraw/zinc/11/87/20/161118720.db2.gz MTXWYKCETKMDMG-OLZOCXBDSA-N 1 0 328.372 2.433 20 5 EEBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000344216909 161207906 /nfs/dbraw/zinc/20/79/06/161207906.db2.gz JAUVQSOCPKNYRF-CQSZACIVSA-N 1 0 334.420 2.387 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000344353912 161219526 /nfs/dbraw/zinc/21/95/26/161219526.db2.gz DSGDDIVUPYDZFO-IRXDYDNUSA-N 1 0 333.388 2.389 20 5 EEBDRO CC[N@H+](CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000344769259 161244409 /nfs/dbraw/zinc/24/44/09/161244409.db2.gz USSPTHOFUYKXJX-UHFFFAOYSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345327102 161292153 /nfs/dbraw/zinc/29/21/53/161292153.db2.gz SUKJSKWEYCJFRY-BBRMVZONSA-N 1 0 334.420 2.386 20 5 EEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346551784 161381324 /nfs/dbraw/zinc/38/13/24/161381324.db2.gz CMOLBWYAGRIFAU-UHFFFAOYSA-N 1 0 343.387 2.307 20 5 EEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000349254831 161539911 /nfs/dbraw/zinc/53/99/11/161539911.db2.gz UVRJVBOFWDXSQC-MRXNPFEDSA-N 1 0 335.404 2.168 20 5 EEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000351499010 161804719 /nfs/dbraw/zinc/80/47/19/161804719.db2.gz CDFKOOFNGWNJJW-ZFWWWQNUSA-N 1 0 341.795 2.327 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000352089994 162064876 /nfs/dbraw/zinc/06/48/76/162064876.db2.gz TXVIHPVDVWKJPC-SMDDNHRTSA-N 1 0 329.360 2.175 20 5 EEBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352659159 162230594 /nfs/dbraw/zinc/23/05/94/162230594.db2.gz LXBVJAYZMWGCTE-WCQYABFASA-N 1 0 327.768 2.032 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352695660 162250661 /nfs/dbraw/zinc/25/06/61/162250661.db2.gz IPFWLCDVRPMCLU-BIGNPOOSSA-N 1 0 341.795 2.420 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353962061 162761297 /nfs/dbraw/zinc/76/12/97/162761297.db2.gz QQQSZLDIKWTZBY-LBPRGKRZSA-N 1 0 345.403 2.065 20 5 EEBDRO Cn1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354654025 162938990 /nfs/dbraw/zinc/93/89/90/162938990.db2.gz OEKHNHAKFKVPJC-UHFFFAOYSA-N 1 0 340.387 2.061 20 5 EEBDRO COc1c(C(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000354692589 162951907 /nfs/dbraw/zinc/95/19/07/162951907.db2.gz WOWSGEQRZJRKGZ-UHFFFAOYSA-N 1 0 333.388 2.208 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359215678 164085266 /nfs/dbraw/zinc/08/52/66/164085266.db2.gz NHCNJKBFDRMLSD-AWEZNQCLSA-N 1 0 332.404 2.383 20 5 EEBDRO CN(C(=O)C[NH2+]C1(C2CC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000375699948 167178134 /nfs/dbraw/zinc/17/81/34/167178134.db2.gz CKDTUPLJHMFZIO-UHFFFAOYSA-N 1 0 333.388 2.106 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378229164 167644376 /nfs/dbraw/zinc/64/43/76/167644376.db2.gz NQOWRXDTJUQWLH-HNNXBMFYSA-N 1 0 347.415 2.354 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000342732549 287360306 /nfs/dbraw/zinc/36/03/06/287360306.db2.gz ZVLWGJUSHRIZLP-ZIAGYGMSSA-N 1 0 346.431 2.170 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163762733 226013691 /nfs/dbraw/zinc/01/36/91/226013691.db2.gz BXOKKNZYZPVORC-CYBMUJFWSA-N 1 0 343.387 2.055 20 5 EEBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000120619160 221629642 /nfs/dbraw/zinc/62/96/42/221629642.db2.gz FMZAQCDKAICJSF-UHFFFAOYSA-N 1 0 331.294 2.343 20 5 EEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000269681754 268720949 /nfs/dbraw/zinc/72/09/49/268720949.db2.gz ILCLHFGWALOVSB-LBPRGKRZSA-N 1 0 330.392 2.361 20 5 EEBDRO CC[C@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272647826 269004079 /nfs/dbraw/zinc/00/40/79/269004079.db2.gz PGHPTVFKGRBFGZ-SNVBAGLBSA-N 1 0 334.319 2.108 20 5 EEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000275417501 269114893 /nfs/dbraw/zinc/11/48/93/269114893.db2.gz HBPNFDULVSCKKL-QWHCGFSZSA-N 1 0 340.424 2.332 20 5 EEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000275522530 269120893 /nfs/dbraw/zinc/12/08/93/269120893.db2.gz WWUWWNAAABKRKK-UHFFFAOYSA-N 1 0 348.403 2.472 20 5 EEBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279066565 269260370 /nfs/dbraw/zinc/26/03/70/269260370.db2.gz ACSLRYKSSBKKIH-DZGCQCFKSA-N 1 0 347.415 2.109 20 5 EEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280656281 269382828 /nfs/dbraw/zinc/38/28/28/269382828.db2.gz ZODRLKYIBKMQCB-IAGOWNOFSA-N 1 0 343.383 2.177 20 5 EEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188731100 274032714 /nfs/dbraw/zinc/03/27/14/274032714.db2.gz BDOKVVGFGWFVJV-GFCCVEGCSA-N 1 0 335.404 2.374 20 5 EEBDRO CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271787479 274152201 /nfs/dbraw/zinc/15/22/01/274152201.db2.gz KXKJEYMNKUBFFM-NWDGAFQWSA-N 1 0 343.836 2.366 20 5 EEBDRO Cc1sc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000289234304 275105084 /nfs/dbraw/zinc/10/50/84/275105084.db2.gz MGBQMACNSKRCCC-ZETCQYMHSA-N 1 0 338.414 2.490 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289419592 275114882 /nfs/dbraw/zinc/11/48/82/275114882.db2.gz IWWHTNLPYQHUOI-LBPRGKRZSA-N 1 0 346.330 2.108 20 5 EEBDRO CCC[C@H]([NH2+]CCCn1cc(CO)nn1)c1cccc([N+](=O)[O-])c1 ZINC000289602852 275131664 /nfs/dbraw/zinc/13/16/64/275131664.db2.gz CSSVLHRDFIQZAH-INIZCTEOSA-N 1 0 333.392 2.200 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290214805 275190029 /nfs/dbraw/zinc/19/00/29/275190029.db2.gz SLMSLGUYNQEMLF-OAHLLOKOSA-N 1 0 346.431 2.245 20 5 EEBDRO C[N@H+](CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000290588142 275220634 /nfs/dbraw/zinc/22/06/34/275220634.db2.gz WWQZRPKVIKBGHJ-UHFFFAOYSA-N 1 0 335.408 2.155 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+](C)C ZINC000292241482 275399708 /nfs/dbraw/zinc/39/97/08/275399708.db2.gz DBDSOFUSRYTVKB-SECBINFHSA-N 1 0 331.319 2.124 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072823789 276109564 /nfs/dbraw/zinc/10/95/64/276109564.db2.gz MNBROLWELUJSEW-CQSZACIVSA-N 1 0 334.420 2.197 20 5 EEBDRO C[NH+](C)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352693699 276791899 /nfs/dbraw/zinc/79/18/99/276791899.db2.gz LZDQYTBVCINYRT-UHFFFAOYSA-N 1 0 325.384 2.277 20 5 EEBDRO Cc1cccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000364602278 278923211 /nfs/dbraw/zinc/92/32/11/278923211.db2.gz AQOBIIQVGNWCDR-HOTGVXAUSA-N 1 0 332.448 2.365 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180702450 279322405 /nfs/dbraw/zinc/32/24/05/279322405.db2.gz GOQYSHNTQBNZIW-JHJVBQTASA-N 1 0 334.420 2.273 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374314785 280661599 /nfs/dbraw/zinc/66/15/99/280661599.db2.gz XJAWXRMQTZDAOR-MAUKXSAKSA-N 1 0 332.448 2.365 20 5 EEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269332201 281194145 /nfs/dbraw/zinc/19/41/45/281194145.db2.gz APQUSHQFYSYDIN-NWDGAFQWSA-N 1 0 335.408 2.140 20 5 EEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457220466 282061946 /nfs/dbraw/zinc/06/19/46/282061946.db2.gz LQOXINVXHSVCOD-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294011648 293349768 /nfs/dbraw/zinc/34/97/68/293349768.db2.gz IRKPSWANZHVKQV-VMPITWQZSA-N 1 0 329.360 2.005 20 5 EEBDRO Nc1c(C(=O)NCCCCC[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000294020072 293351598 /nfs/dbraw/zinc/35/15/98/293351598.db2.gz VPTAZAZMUBIMIU-UHFFFAOYSA-N 1 0 338.383 2.312 20 5 EEBDRO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294122056 293375155 /nfs/dbraw/zinc/37/51/55/293375155.db2.gz LUGPAHPMYOGRNR-QGZVFWFLSA-N 1 0 333.388 2.161 20 5 EEBDRO COC(=O)Cc1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000295727794 293802032 /nfs/dbraw/zinc/80/20/32/293802032.db2.gz VNIYCRZZYWRMJF-HIFRSBDPSA-N 1 0 347.415 2.373 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000295939144 293853052 /nfs/dbraw/zinc/85/30/52/293853052.db2.gz HUSYQNWXIAMFDS-UHFFFAOYSA-N 1 0 334.376 2.205 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000298947343 294623340 /nfs/dbraw/zinc/62/33/40/294623340.db2.gz HBZIRLJBXOYXJA-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000449265063 298919490 /nfs/dbraw/zinc/91/94/90/298919490.db2.gz QTDORFGYDJFJHW-INWMFGNUSA-N 1 0 330.388 2.379 20 5 EEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261698133 300490599 /nfs/dbraw/zinc/49/05/99/300490599.db2.gz IZXAVXNRAUNLLV-DTWKUNHWSA-N 1 0 342.193 2.167 20 5 EEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237933258 303402283 /nfs/dbraw/zinc/40/22/83/303402283.db2.gz AYIXBWJKHRCJLU-GXSJLCMTSA-N 1 0 347.824 2.044 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420472312 303457840 /nfs/dbraw/zinc/45/78/40/303457840.db2.gz SIDBJDDGTTYIIQ-MWLCHTKSSA-N 1 0 347.824 2.044 20 5 EEBDRO COc1ccc(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000330678198 311776133 /nfs/dbraw/zinc/77/61/33/311776133.db2.gz WCZSHQGYWBFTSH-UKRRQHHQSA-N 1 0 325.434 2.081 20 5 EEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332009823 311935886 /nfs/dbraw/zinc/93/58/86/311935886.db2.gz DFBCKKFJHLKRBR-RYUDHWBXSA-N 1 0 349.387 2.127 20 5 EEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332579765 312028604 /nfs/dbraw/zinc/02/86/04/312028604.db2.gz FFTJEVLEYFAADI-LLVKDONJSA-N 1 0 339.342 2.112 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+](C)C)cc1OC ZINC000411094012 312503201 /nfs/dbraw/zinc/50/32/01/312503201.db2.gz FDXZZMGJTXNVSP-UHFFFAOYSA-N 1 0 339.392 2.072 20 5 EEBDRO COC(=O)[C@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414485344 313033529 /nfs/dbraw/zinc/03/35/29/313033529.db2.gz HXYGEDGFDMQFLE-SCZPIIQISA-N 1 0 347.415 2.035 20 5 EEBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000421009548 314023714 /nfs/dbraw/zinc/02/37/14/314023714.db2.gz FLXAUVLHCQWUFT-PBHICJAKSA-N 1 0 347.415 2.185 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430640235 314564140 /nfs/dbraw/zinc/56/41/40/314564140.db2.gz GUCDYRCYQOKNPA-BXUZGUMPSA-N 1 0 331.376 2.347 20 5 EEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441605981 315189093 /nfs/dbraw/zinc/18/90/93/315189093.db2.gz XFXYONUAUWRZEK-QWHCGFSZSA-N 1 0 334.420 2.156 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000443857967 315261792 /nfs/dbraw/zinc/26/17/92/315261792.db2.gz VRFAZOLUWJHRFU-SECBINFHSA-N 1 0 334.319 2.372 20 5 EEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520564896 316867465 /nfs/dbraw/zinc/86/74/65/316867465.db2.gz JIYYGZDGONDKSB-MRXNPFEDSA-N 1 0 335.404 2.388 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000538016949 318031778 /nfs/dbraw/zinc/03/17/78/318031778.db2.gz OICLQHNVKUPYEF-LBPRGKRZSA-N 1 0 326.418 2.379 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000539043551 318050956 /nfs/dbraw/zinc/05/09/56/318050956.db2.gz VYNFSWWPWMWIQV-LBPRGKRZSA-N 1 0 343.449 2.272 20 5 EEBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000542527628 318131532 /nfs/dbraw/zinc/13/15/32/318131532.db2.gz WBPLHXKACAPVTM-AWEZNQCLSA-N 1 0 339.392 2.193 20 5 EEBDRO CC[NH+](CC)CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000543610428 318163693 /nfs/dbraw/zinc/16/36/93/318163693.db2.gz ZTUOYMDYSWVQJQ-UHFFFAOYSA-N 1 0 349.387 2.429 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000544147311 318181304 /nfs/dbraw/zinc/18/13/04/318181304.db2.gz STZQJDARDVMSQF-QGZVFWFLSA-N 1 0 342.395 2.435 20 5 EEBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000547757653 318319311 /nfs/dbraw/zinc/31/93/11/318319311.db2.gz GYOMIORZGISJMC-UHFFFAOYSA-N 1 0 347.400 2.119 20 5 EEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000566116061 319247199 /nfs/dbraw/zinc/24/71/99/319247199.db2.gz HLHBATUOHUNDAR-HOCLYGCPSA-N 1 0 346.383 2.392 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3sc(Cl)cc32)c1 ZINC000567161619 319353850 /nfs/dbraw/zinc/35/38/50/319353850.db2.gz GGFPZKPSSZMEOO-GXSJLCMTSA-N 1 0 342.808 2.144 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000567331541 319369572 /nfs/dbraw/zinc/36/95/72/319369572.db2.gz IQRSZAZLBYGFRR-NHYWBVRUSA-N 1 0 336.779 2.083 20 5 EEBDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567582988 319393169 /nfs/dbraw/zinc/39/31/69/319393169.db2.gz KBIKEYIRIKPMHB-MZMPZRCHSA-N 1 0 344.415 2.456 20 5 EEBDRO COc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000574050845 319991037 /nfs/dbraw/zinc/99/10/37/319991037.db2.gz MLHVHAHIHMGRCD-MRXNPFEDSA-N 1 0 347.415 2.340 20 5 EEBDRO COc1ccc(CC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000577189765 320240113 /nfs/dbraw/zinc/24/01/13/320240113.db2.gz VGLNDRBIKHSJCM-CYBMUJFWSA-N 1 0 347.415 2.089 20 5 EEBDRO CN1CCO[C@@H](CSc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000580188843 324012091 /nfs/dbraw/zinc/01/20/91/324012091.db2.gz WFNZVUMBGQRWLJ-MRVPVSSYSA-N 1 0 337.323 2.431 20 5 EEBDRO COC(=O)c1cc(-c2ccc(NCC[NH+](C)C)nc2)cc([N+](=O)[O-])c1 ZINC000600789750 449546639 /nfs/dbraw/zinc/54/66/39/449546639.db2.gz VNCNFRMJZUKZFP-UHFFFAOYSA-N 1 0 344.371 2.417 20 5 EEBDRO CC1CC[NH+](C2CCC(NC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)CC1 ZINC000120570349 463013775 /nfs/dbraw/zinc/01/37/75/463013775.db2.gz KBOZSYHSWDDSAQ-UHFFFAOYSA-N 1 0 335.408 2.091 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000286797295 465027198 /nfs/dbraw/zinc/02/71/98/465027198.db2.gz VPTJTWOYNXRFDI-AWEZNQCLSA-N 1 0 346.431 2.263 20 5 EEBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184843259 465028993 /nfs/dbraw/zinc/02/89/93/465028993.db2.gz QQVMWIMNWIYPTB-GJZGRUSLSA-N 1 0 344.371 2.384 20 5 EEBDRO CC1(C)C[C@H](O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296033532 465057453 /nfs/dbraw/zinc/05/74/53/465057453.db2.gz MRBZJOZBMBWUJO-CYBMUJFWSA-N 1 0 335.404 2.406 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3ccccc3CO)CC2)n1 ZINC000347628359 465132611 /nfs/dbraw/zinc/13/26/11/465132611.db2.gz ITYKJCIBCOMHAH-UHFFFAOYSA-N 1 0 344.415 2.238 20 5 EEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354757025 465135121 /nfs/dbraw/zinc/13/51/21/465135121.db2.gz OVZDESBPDZVPED-OAHLLOKOSA-N 1 0 345.403 2.204 20 5 EEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358704548 465274236 /nfs/dbraw/zinc/27/42/36/465274236.db2.gz PRGPLHZYAPMFNL-XQQFMLRXSA-N 1 0 348.403 2.173 20 5 EEBDRO CCCN(CCC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000347899623 465295021 /nfs/dbraw/zinc/29/50/21/465295021.db2.gz GIFZRGIGKLHCPY-UHFFFAOYSA-N 1 0 336.436 2.221 20 5 EEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591462 468280119 /nfs/dbraw/zinc/28/01/19/468280119.db2.gz PTRSNRCUMXIZRU-LLVKDONJSA-N 1 0 347.412 2.051 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342933726 465398228 /nfs/dbraw/zinc/39/82/28/465398228.db2.gz IUQFRTWYVRLPBB-LBPRGKRZSA-N 1 0 330.388 2.490 20 5 EEBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000127824472 462586856 /nfs/dbraw/zinc/58/68/56/462586856.db2.gz JAKLAEYTTYVNJT-CYBMUJFWSA-N 1 0 335.404 2.273 20 5 EEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000590688534 468306654 /nfs/dbraw/zinc/30/66/54/468306654.db2.gz IZTIRSTUDIECCE-IRXDYDNUSA-N 1 0 342.399 2.178 20 5 EEBDRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153158750 462620746 /nfs/dbraw/zinc/62/07/46/462620746.db2.gz LSIQBPBBZIYZML-OAHLLOKOSA-N 1 0 346.383 2.475 20 5 EEBDRO O=C(CC[NH2+][C@@H](CO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000579090834 468307799 /nfs/dbraw/zinc/30/77/99/468307799.db2.gz FLQPIPJTJJZSGY-HNNXBMFYSA-N 1 0 335.404 2.454 20 5 EEBDRO COC1CC[NH+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000590692683 468308230 /nfs/dbraw/zinc/30/82/30/468308230.db2.gz HLMJQYFODJNHLB-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EEBDRO CCC[NH2+]CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000154164505 462737442 /nfs/dbraw/zinc/73/74/42/462737442.db2.gz XXYMAOOZSWRCPD-UHFFFAOYSA-N 1 0 337.423 2.271 20 5 EEBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907759 462739890 /nfs/dbraw/zinc/73/98/90/462739890.db2.gz ZWOPSDOXUWGTJW-LBPRGKRZSA-N 1 0 344.371 2.337 20 5 EEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226821 462757551 /nfs/dbraw/zinc/75/75/51/462757551.db2.gz LBKIMSWQRQPQBQ-LSDHHAIUSA-N 1 0 335.429 2.430 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154581457 462785200 /nfs/dbraw/zinc/78/52/00/462785200.db2.gz YIAZMNIKWSFBCR-UHFFFAOYSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000090466246 462792600 /nfs/dbraw/zinc/79/26/00/462792600.db2.gz IJYWVADMYUXBKE-OCCSQVGLSA-N 1 0 326.418 2.083 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCCO1 ZINC000117336388 462797933 /nfs/dbraw/zinc/79/79/33/462797933.db2.gz ATKDBMOBBCFTJD-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO CCO[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000076405711 462857051 /nfs/dbraw/zinc/85/70/51/462857051.db2.gz QGVCJGVJMVYGAP-CQSZACIVSA-N 1 0 349.387 2.394 20 5 EEBDRO Cc1ncsc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066565958 462904046 /nfs/dbraw/zinc/90/40/46/462904046.db2.gz VYXKZHCPRGCZCE-ZDUSSCGKSA-N 1 0 337.401 2.231 20 5 EEBDRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000119801155 462929506 /nfs/dbraw/zinc/92/95/06/462929506.db2.gz KQSAZXOUHCNOAE-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@@H]21 ZINC000133507225 462940585 /nfs/dbraw/zinc/94/05/85/462940585.db2.gz JWVCDVRMAAPSAN-HIFRSBDPSA-N 1 0 344.415 2.400 20 5 EEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000077236651 462957566 /nfs/dbraw/zinc/95/75/66/462957566.db2.gz UHHBBAODMZDBRX-CYBMUJFWSA-N 1 0 342.403 2.068 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000155951697 462962507 /nfs/dbraw/zinc/96/25/07/462962507.db2.gz OFRMQWFYZLZWKO-ZDUSSCGKSA-N 1 0 335.379 2.221 20 5 EEBDRO CCS(=O)(=O)NCCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000133943544 462987800 /nfs/dbraw/zinc/98/78/00/462987800.db2.gz REAUVXMHHIWJPJ-UHFFFAOYSA-N 1 0 349.840 2.009 20 5 EEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000120605836 463018020 /nfs/dbraw/zinc/01/80/20/463018020.db2.gz RMKDIQQAZFLMNC-HUUCEWRRSA-N 1 0 335.404 2.329 20 5 EEBDRO C[N@H+](CCCO)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093394744 463035599 /nfs/dbraw/zinc/03/55/99/463035599.db2.gz IOPYEQCYKXJQIS-QPJJXVBHSA-N 1 0 333.432 2.387 20 5 EEBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052399874 463077155 /nfs/dbraw/zinc/07/71/55/463077155.db2.gz WEWDGLUMBLBILT-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000095988679 463130036 /nfs/dbraw/zinc/13/00/36/463130036.db2.gz FURJAZRNZGJISY-AWEZNQCLSA-N 1 0 343.431 2.499 20 5 EEBDRO COC1CC[NH+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000079776268 463249415 /nfs/dbraw/zinc/24/94/15/463249415.db2.gz OERHWGJYRXHNPX-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000069810873 463330834 /nfs/dbraw/zinc/33/08/34/463330834.db2.gz OPVKDXRGCLTVMI-HNNXBMFYSA-N 1 0 336.411 2.339 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160913157 463381879 /nfs/dbraw/zinc/38/18/79/463381879.db2.gz CBNYNYJMHRCZII-ZIAGYGMSSA-N 1 0 347.415 2.482 20 5 EEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000161118726 463400633 /nfs/dbraw/zinc/40/06/33/463400633.db2.gz BGUWJVWBIRYMHU-QWRGUYRKSA-N 1 0 337.376 2.002 20 5 EEBDRO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000085359776 463645397 /nfs/dbraw/zinc/64/53/97/463645397.db2.gz RRANJMOMPCKDMK-ZDUSSCGKSA-N 1 0 336.436 2.413 20 5 EEBDRO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000085359778 463645530 /nfs/dbraw/zinc/64/55/30/463645530.db2.gz RRANJMOMPCKDMK-CYBMUJFWSA-N 1 0 336.436 2.413 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152381692 463682448 /nfs/dbraw/zinc/68/24/48/463682448.db2.gz MHZNLSFFNYPXKD-AWEZNQCLSA-N 1 0 334.420 2.115 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000177451888 463707901 /nfs/dbraw/zinc/70/79/01/463707901.db2.gz HRTGWPWBZQMABD-GHMZBOCLSA-N 1 0 331.376 2.074 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](COCCOC)C2)ccc1[N+](=O)[O-] ZINC000276950864 463817165 /nfs/dbraw/zinc/81/71/65/463817165.db2.gz UKHXWTHQKJPHQB-OAHLLOKOSA-N 1 0 338.404 2.478 20 5 EEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000261773821 463854802 /nfs/dbraw/zinc/85/48/02/463854802.db2.gz XDLBUXUTONAICS-CJNGLKHVSA-N 1 0 337.376 2.074 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287309682 463865546 /nfs/dbraw/zinc/86/55/46/463865546.db2.gz LSDBTRMRAMMGDP-UHFFFAOYSA-N 1 0 345.403 2.419 20 5 EEBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000261973912 463914862 /nfs/dbraw/zinc/91/48/62/463914862.db2.gz ZIRJPNYOYFZENS-JTQLQIEISA-N 1 0 332.385 2.049 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000283571284 463929326 /nfs/dbraw/zinc/92/93/26/463929326.db2.gz VQCGOTRDOXJEPA-LBPRGKRZSA-N 1 0 333.388 2.208 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283581551 463931783 /nfs/dbraw/zinc/93/17/83/463931783.db2.gz KVPHMRGHJPWSDU-LLVKDONJSA-N 1 0 338.383 2.310 20 5 EEBDRO CN1CCN(C)[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278957825 464016192 /nfs/dbraw/zinc/01/61/92/464016192.db2.gz BBSIMBKZIXSFIV-RHSMWYFYSA-N 1 0 332.448 2.153 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283955032 464053180 /nfs/dbraw/zinc/05/31/80/464053180.db2.gz LKOCMAKPPACVPV-NSHDSACASA-N 1 0 338.383 2.120 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000172439181 464080115 /nfs/dbraw/zinc/08/01/15/464080115.db2.gz MKTVPOICRAJZGV-UHFFFAOYSA-N 1 0 347.375 2.073 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000172839905 464152383 /nfs/dbraw/zinc/15/23/83/464152383.db2.gz OBTADIPKRXILCJ-AWEZNQCLSA-N 1 0 334.420 2.340 20 5 EEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000172838183 464152614 /nfs/dbraw/zinc/15/26/14/464152614.db2.gz KHBMBRIXLYLTLZ-GFCCVEGCSA-N 1 0 338.383 2.263 20 5 EEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000179987418 464219423 /nfs/dbraw/zinc/21/94/23/464219423.db2.gz AHCUQGVQPKVTEO-UONOGXRCSA-N 1 0 336.388 2.476 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000173336330 464242118 /nfs/dbraw/zinc/24/21/18/464242118.db2.gz XAKCGKBDEOIATN-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4nccn43)C2)nc1 ZINC000180344350 464291615 /nfs/dbraw/zinc/29/16/15/464291615.db2.gz IAPQARBFBSIJOB-CYBMUJFWSA-N 1 0 338.371 2.324 20 5 EEBDRO C[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237437109 464319093 /nfs/dbraw/zinc/31/90/93/464319093.db2.gz QTVOKLLZSVTNDK-ZDUSSCGKSA-N 1 0 334.420 2.149 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000298644161 465458311 /nfs/dbraw/zinc/45/83/11/465458311.db2.gz PWQSHGJYJUPPHE-NWDGAFQWSA-N 1 0 337.376 2.041 20 5 EEBDRO CC(C)(C)C[N@H+](CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264446954 464330041 /nfs/dbraw/zinc/33/00/41/464330041.db2.gz RRVWNLWMSJWGTD-OAHLLOKOSA-N 1 0 340.420 2.065 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237838362 464387621 /nfs/dbraw/zinc/38/76/21/464387621.db2.gz FCBTVEYTTOYGAT-HNNXBMFYSA-N 1 0 349.434 2.495 20 5 EEBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000237841790 464387752 /nfs/dbraw/zinc/38/77/52/464387752.db2.gz VYTUPTNLCYOSPE-UHFFFAOYSA-N 1 0 332.404 2.148 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237892020 464396699 /nfs/dbraw/zinc/39/66/99/464396699.db2.gz JDWWZAMLESIUPN-NSHDSACASA-N 1 0 332.385 2.200 20 5 EEBDRO C[C@@H]1C[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000359608181 465472470 /nfs/dbraw/zinc/47/24/70/465472470.db2.gz DOOVVNRSVFKPFO-OLZOCXBDSA-N 1 0 333.388 2.046 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238131230 464434093 /nfs/dbraw/zinc/43/40/93/464434093.db2.gz VUJKPLAQEPXQFE-RCBQFDQVSA-N 1 0 332.404 2.044 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272138110 464493680 /nfs/dbraw/zinc/49/36/80/464493680.db2.gz ASKSJZQOHGQPCN-MLGOLLRUSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294522736 464525303 /nfs/dbraw/zinc/52/53/03/464525303.db2.gz IFWWPCBMZVOWTF-ZDUSSCGKSA-N 1 0 335.404 2.404 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000272306601 464557459 /nfs/dbraw/zinc/55/74/59/464557459.db2.gz REPHJEIZJJKLPW-KBPBESRZSA-N 1 0 346.431 2.394 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000182178924 464591219 /nfs/dbraw/zinc/59/12/19/464591219.db2.gz VVVDFSOAARMCFJ-INIZCTEOSA-N 1 0 343.383 2.394 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272396052 464591268 /nfs/dbraw/zinc/59/12/68/464591268.db2.gz JRPWWZDQEWGFBX-CYBMUJFWSA-N 1 0 347.371 2.024 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000272504209 464636204 /nfs/dbraw/zinc/63/62/04/464636204.db2.gz ODXFQBZELXOFTM-GUYCJALGSA-N 1 0 342.399 2.102 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568975908 468416604 /nfs/dbraw/zinc/41/66/04/468416604.db2.gz WIMUROAHQAYMIN-IUODEOHRSA-N 1 0 332.404 2.180 20 5 EEBDRO Cc1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000294964697 464664504 /nfs/dbraw/zinc/66/45/04/464664504.db2.gz LHPYIASRXRPABZ-HNNXBMFYSA-N 1 0 342.403 2.047 20 5 EEBDRO CC(C)CO[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247540561 464693182 /nfs/dbraw/zinc/69/31/82/464693182.db2.gz JYSRCWFBDYTIGE-WBVHZDCISA-N 1 0 338.404 2.081 20 5 EEBDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568991901 468419370 /nfs/dbraw/zinc/41/93/70/468419370.db2.gz YQRSHBCWZIIIJM-PBHICJAKSA-N 1 0 346.431 2.498 20 5 EEBDRO COC(=O)Cc1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000295133614 464717330 /nfs/dbraw/zinc/71/73/30/464717330.db2.gz YMUYCMQVFWGTPR-UHFFFAOYSA-N 1 0 335.404 2.454 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000176760196 464842926 /nfs/dbraw/zinc/84/29/26/464842926.db2.gz OYYDPIOJQODUQJ-ZDUSSCGKSA-N 1 0 334.344 2.154 20 5 EEBDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900512 464864868 /nfs/dbraw/zinc/86/48/68/464864868.db2.gz UBFNXMLQVGSEHZ-WMLDXEAASA-N 1 0 348.447 2.188 20 5 EEBDRO CC[C@H](CO)[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000295787444 464964246 /nfs/dbraw/zinc/96/42/46/464964246.db2.gz UWHMIWUVGKJIQS-LLVKDONJSA-N 1 0 348.346 2.450 20 5 EEBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268255760 464994010 /nfs/dbraw/zinc/99/40/10/464994010.db2.gz UEIIWVPUANIGDW-CYBMUJFWSA-N 1 0 335.404 2.311 20 5 EEBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593908646 468429421 /nfs/dbraw/zinc/42/94/21/468429421.db2.gz CAMNNMRKIBAQTG-CQSZACIVSA-N 1 0 347.415 2.354 20 5 EEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000593918193 468432885 /nfs/dbraw/zinc/43/28/85/468432885.db2.gz BYTJNGQJFVROCR-HYVNUMGLSA-N 1 0 347.415 2.025 20 5 EEBDRO O=C(c1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000298790494 465505943 /nfs/dbraw/zinc/50/59/43/465505943.db2.gz SCFQNBWALMZFCF-UHFFFAOYSA-N 1 0 332.404 2.339 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000298861639 465527116 /nfs/dbraw/zinc/52/71/16/465527116.db2.gz CYYKURKFUIAXNA-GFCCVEGCSA-N 1 0 328.372 2.100 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCCC1 ZINC000337895149 465662771 /nfs/dbraw/zinc/66/27/71/465662771.db2.gz LAKQYVXAERJPNF-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000344592809 465704018 /nfs/dbraw/zinc/70/40/18/465704018.db2.gz BUGUJCVSILOQEW-AWEZNQCLSA-N 1 0 345.403 2.321 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330584255 465717683 /nfs/dbraw/zinc/71/76/83/465717683.db2.gz KWWQPNKTXWXCAZ-VXGBXAGGSA-N 1 0 331.376 2.169 20 5 EEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000361073760 465747138 /nfs/dbraw/zinc/74/71/38/465747138.db2.gz MNUKKCNNWCVAGJ-BETUJISGSA-N 1 0 339.440 2.421 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299457727 465756570 /nfs/dbraw/zinc/75/65/70/465756570.db2.gz XAOJCCHNTRSUNI-CYBMUJFWSA-N 1 0 337.424 2.113 20 5 EEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000330706740 465771123 /nfs/dbraw/zinc/77/11/23/465771123.db2.gz LZHSFYIPEAVQST-TZMCWYRMSA-N 1 0 325.384 2.011 20 5 EEBDRO CNc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361209596 465838605 /nfs/dbraw/zinc/83/86/05/465838605.db2.gz HAMHPPVGVWRELP-ZDUSSCGKSA-N 1 0 332.404 2.337 20 5 EEBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353435471 465879394 /nfs/dbraw/zinc/87/93/94/465879394.db2.gz LWRJTVQTOFDKPF-INIZCTEOSA-N 1 0 329.404 2.103 20 5 EEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000346202938 465988038 /nfs/dbraw/zinc/98/80/38/465988038.db2.gz AUBACIYYBDMKTN-AWEZNQCLSA-N 1 0 344.419 2.536 20 5 EEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346229314 466010377 /nfs/dbraw/zinc/01/03/77/466010377.db2.gz LUSUMMVUSKATDC-BFQNTYOBSA-N 1 0 332.404 2.101 20 5 EEBDRO CCc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000301943824 466065241 /nfs/dbraw/zinc/06/52/41/466065241.db2.gz YUBPTDNWNGJWEH-WFASDCNBSA-N 1 0 333.436 2.344 20 5 EEBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362854087 466074682 /nfs/dbraw/zinc/07/46/82/466074682.db2.gz WEDCFWFQYJIUDW-INIZCTEOSA-N 1 0 343.431 2.282 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000357638828 466198644 /nfs/dbraw/zinc/19/86/44/466198644.db2.gz MXWHDXHHNKIEAR-LBPRGKRZSA-N 1 0 338.408 2.131 20 5 EEBDRO Cc1c(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000357863020 466272016 /nfs/dbraw/zinc/27/20/16/466272016.db2.gz RKUYVWVTDHJRAD-UHFFFAOYSA-N 1 0 331.416 2.438 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332056375 466365471 /nfs/dbraw/zinc/36/54/71/466365471.db2.gz OSKJFJSMLWMXSI-XJKSGUPXSA-N 1 0 332.404 2.139 20 5 EEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354223119 466394994 /nfs/dbraw/zinc/39/49/94/466394994.db2.gz NFTBRFOCUQEPTF-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000338817679 466402526 /nfs/dbraw/zinc/40/25/26/466402526.db2.gz BEUKXSYMSVUBRM-UHFFFAOYSA-N 1 0 326.356 2.261 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000358041723 466406344 /nfs/dbraw/zinc/40/63/44/466406344.db2.gz UTORBFLJUZPLQJ-GUTXKFCHSA-N 1 0 340.445 2.453 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305674680 466422204 /nfs/dbraw/zinc/42/22/04/466422204.db2.gz ZDITZVNBGYSTKY-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000358187731 466524231 /nfs/dbraw/zinc/52/42/31/466524231.db2.gz ZWSUTXSGHGZIQD-MLGOLLRUSA-N 1 0 333.388 2.025 20 5 EEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1nc(C)ccc1[N+](=O)[O-] ZINC000341028582 466524838 /nfs/dbraw/zinc/52/48/38/466524838.db2.gz DEMAOHIKBRQGBN-UHFFFAOYSA-N 1 0 335.452 2.152 20 5 EEBDRO O=[N+]([O-])c1ccc(CCN[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000320782311 466614643 /nfs/dbraw/zinc/61/46/43/466614643.db2.gz JIPGUDNMAWJGMY-HNNXBMFYSA-N 1 0 332.381 2.256 20 5 EEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000591681312 468501974 /nfs/dbraw/zinc/50/19/74/468501974.db2.gz DYGVUWMWOOQXOB-UHFFFAOYSA-N 1 0 342.355 2.205 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000322579908 466633509 /nfs/dbraw/zinc/63/35/09/466633509.db2.gz RPPBVTNWXBQQRV-NWDGAFQWSA-N 1 0 339.417 2.037 20 5 EEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591685792 468503127 /nfs/dbraw/zinc/50/31/27/468503127.db2.gz OYHSIFMBIDOYJQ-GFCCVEGCSA-N 1 0 343.305 2.486 20 5 EEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324198779 466644531 /nfs/dbraw/zinc/64/45/31/466644531.db2.gz SITWOYHMGKAISC-AOOOYVTPSA-N 1 0 330.310 2.444 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000423570154 466775975 /nfs/dbraw/zinc/77/59/75/466775975.db2.gz NGCHFORRJWNBQP-TUKIKUTGSA-N 1 0 333.388 2.193 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365363257 466792636 /nfs/dbraw/zinc/79/26/36/466792636.db2.gz YIYAZPKWWJEORE-SLEUVZQESA-N 1 0 335.429 2.286 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417728793 466918116 /nfs/dbraw/zinc/91/81/16/466918116.db2.gz PJBDCSJWYJUVDC-CVEARBPZSA-N 1 0 346.431 2.168 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424042679 466961587 /nfs/dbraw/zinc/96/15/87/466961587.db2.gz DDYJRHJZSFPAPN-CKYFFXLPSA-N 1 0 341.795 2.272 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000374469308 467054931 /nfs/dbraw/zinc/05/49/31/467054931.db2.gz PNMWQGIPHYGOSP-SMDDNHRTSA-N 1 0 343.387 2.182 20 5 EEBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000418308428 467090704 /nfs/dbraw/zinc/09/07/04/467090704.db2.gz AHPZKXSXNPKGAW-ZFWWWQNUSA-N 1 0 334.420 2.167 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1C ZINC000413124910 467174277 /nfs/dbraw/zinc/17/42/77/467174277.db2.gz DTRPMUFVYKJCBR-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2cccnc21 ZINC000413160621 467181516 /nfs/dbraw/zinc/18/15/16/467181516.db2.gz DGPMSARQSODRDL-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378100340 467197007 /nfs/dbraw/zinc/19/70/07/467197007.db2.gz UAIKMMAUKZCTHB-GVDBMIGSSA-N 1 0 331.416 2.070 20 5 EEBDRO CCOCC[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432339568 467233568 /nfs/dbraw/zinc/23/35/68/467233568.db2.gz SXCRVEMRCWOBSF-UHFFFAOYSA-N 1 0 330.388 2.302 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451080276 467241615 /nfs/dbraw/zinc/24/16/15/467241615.db2.gz BNFNLKVTDGKDKQ-ZIAGYGMSSA-N 1 0 346.431 2.338 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452109987 467325631 /nfs/dbraw/zinc/32/56/31/467325631.db2.gz ZZDYDWQQTXZSLF-AWEZNQCLSA-N 1 0 341.433 2.006 20 5 EEBDRO [NH3+]CCN(CCc1ccccc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000420245693 467329011 /nfs/dbraw/zinc/32/90/11/467329011.db2.gz RCOLMNGJBDBYCY-UHFFFAOYSA-N 1 0 331.401 2.312 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429770388 467367994 /nfs/dbraw/zinc/36/79/94/467367994.db2.gz UIBJFEBYIQTXQB-LSDHHAIUSA-N 1 0 344.371 2.254 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420461819 467415284 /nfs/dbraw/zinc/41/52/84/467415284.db2.gz GYOPIRRTKGHASI-CHWSQXEVSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414664111 467426412 /nfs/dbraw/zinc/42/64/12/467426412.db2.gz TUNTTYXQUPRVHD-CVEARBPZSA-N 1 0 348.403 2.345 20 5 EEBDRO COc1cc(CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382966 467465159 /nfs/dbraw/zinc/46/51/59/467465159.db2.gz FZTUWUHLUUQRSR-JTQLQIEISA-N 1 0 345.346 2.028 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000430785031 467466549 /nfs/dbraw/zinc/46/65/49/467466549.db2.gz SNFOSYDQZICHIU-ZIAGYGMSSA-N 1 0 335.404 2.223 20 5 EEBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)[NH2+]1 ZINC000430921681 467475358 /nfs/dbraw/zinc/47/53/58/467475358.db2.gz UVGGTAPLJYHPNN-CHWSQXEVSA-N 1 0 330.388 2.475 20 5 EEBDRO CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[NH2+]C1 ZINC000430928177 467476890 /nfs/dbraw/zinc/47/68/90/467476890.db2.gz KOYSLYSPVUYTQM-AWEZNQCLSA-N 1 0 331.376 2.219 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000415103089 467490359 /nfs/dbraw/zinc/49/03/59/467490359.db2.gz FMQHXHNKNQXAIQ-HNNXBMFYSA-N 1 0 348.428 2.268 20 5 EEBDRO COc1cc(C[N@@H+](C)C2CCN(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000453625462 467505852 /nfs/dbraw/zinc/50/58/52/467505852.db2.gz ROROJYLKRMHRPQ-UHFFFAOYSA-N 1 0 339.392 2.070 20 5 EEBDRO CC[C@@H]([NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449601777 467668876 /nfs/dbraw/zinc/66/88/76/467668876.db2.gz SAGMSOVFYRCREP-SNVBAGLBSA-N 1 0 348.325 2.269 20 5 EEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449613799 467671276 /nfs/dbraw/zinc/67/12/76/467671276.db2.gz CWCYROWMXIXNDI-FVGKDHOHSA-N 1 0 335.429 2.319 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731410 467701931 /nfs/dbraw/zinc/70/19/31/467701931.db2.gz VHVPDQWRTBPGEJ-SLEUVZQESA-N 1 0 335.429 2.286 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458479780 467843068 /nfs/dbraw/zinc/84/30/68/467843068.db2.gz RFBGCXPGPBLUQW-OAHLLOKOSA-N 1 0 334.420 2.263 20 5 EEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000486984505 468016804 /nfs/dbraw/zinc/01/68/04/468016804.db2.gz YDZJFACYQWCUIR-AWEZNQCLSA-N 1 0 336.436 2.179 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000516598165 468036009 /nfs/dbraw/zinc/03/60/09/468036009.db2.gz NUXSLRBCSHVGTK-CQSZACIVSA-N 1 0 338.310 2.403 20 5 EEBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494251984 468040309 /nfs/dbraw/zinc/04/03/09/468040309.db2.gz UUPBNVCMRUQNOI-MEDUHNTESA-N 1 0 337.376 2.089 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594195753 468508696 /nfs/dbraw/zinc/50/86/96/468508696.db2.gz IUXGGXUNJMDRLG-GJZGRUSLSA-N 1 0 333.388 2.350 20 5 EEBDRO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197801 468509525 /nfs/dbraw/zinc/50/95/25/468509525.db2.gz PWEYRUIJNZYPHL-GJZGRUSLSA-N 1 0 347.415 2.279 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000591729076 468512362 /nfs/dbraw/zinc/51/23/62/468512362.db2.gz HHGOISQCSULCQH-CQSZACIVSA-N 1 0 346.408 2.298 20 5 EEBDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591757718 468515265 /nfs/dbraw/zinc/51/52/65/468515265.db2.gz FKHHITZIPSWOQW-PVUWLOKVSA-N 1 0 330.388 2.065 20 5 EEBDRO [NH3+][C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000582720156 468583610 /nfs/dbraw/zinc/58/36/10/468583610.db2.gz HSDSDKLRTJWKMH-KRWDZBQOSA-N 1 0 339.395 2.440 20 5 EEBDRO CC(C)Oc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597567208 468602030 /nfs/dbraw/zinc/60/20/30/468602030.db2.gz BLYPEXNJMPSPDU-UHFFFAOYSA-N 1 0 333.388 2.160 20 5 EEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000597570706 468602440 /nfs/dbraw/zinc/60/24/40/468602440.db2.gz ARFSWUOUDGFZAW-UHFFFAOYSA-N 1 0 343.305 2.391 20 5 EEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000557060509 468610158 /nfs/dbraw/zinc/61/01/58/468610158.db2.gz RHTXYJQDMSCBRY-CQSZACIVSA-N 1 0 332.356 2.133 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628905 468639336 /nfs/dbraw/zinc/63/93/36/468639336.db2.gz OFBFPQNGGNLIPC-UHFFFAOYSA-N 1 0 332.404 2.141 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253408 468665079 /nfs/dbraw/zinc/66/50/79/468665079.db2.gz FGIKRAYGASBRRW-UONOGXRCSA-N 1 0 347.415 2.455 20 5 EEBDRO CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000592339277 468678635 /nfs/dbraw/zinc/67/86/35/468678635.db2.gz NBBUKWHGDUVKMX-UHFFFAOYSA-N 1 0 349.387 2.318 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597859971 468696152 /nfs/dbraw/zinc/69/61/52/468696152.db2.gz JBOQYDCONQBASD-LLVKDONJSA-N 1 0 337.424 2.292 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000570997382 468725603 /nfs/dbraw/zinc/72/56/03/468725603.db2.gz MUEDHVJIOZDAPF-LBPRGKRZSA-N 1 0 325.796 2.343 20 5 EEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1O ZINC000594959830 468732593 /nfs/dbraw/zinc/73/25/93/468732593.db2.gz GZQHFKCXELZKPW-WCBZVUCDSA-N 1 0 342.417 2.088 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000595034225 468747192 /nfs/dbraw/zinc/74/71/92/468747192.db2.gz WEASQGFUAJYRFS-GFCCVEGCSA-N 1 0 344.433 2.469 20 5 EEBDRO COC1CC[NH+](CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601126592 468753508 /nfs/dbraw/zinc/75/35/08/468753508.db2.gz VFEPXPFXEMVSLE-UHFFFAOYSA-N 1 0 330.388 2.088 20 5 EEBDRO Cc1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000560279402 468777078 /nfs/dbraw/zinc/77/70/78/468777078.db2.gz HZHCXAMMXWKNPT-OAHLLOKOSA-N 1 0 346.383 2.312 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000583992242 468782851 /nfs/dbraw/zinc/78/28/51/468782851.db2.gz ZLOZOLWKTFYPRB-JKSUJKDBSA-N 1 0 343.383 2.219 20 5 EEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222766 468788038 /nfs/dbraw/zinc/78/80/38/468788038.db2.gz XVMDWGBQNRZKEY-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598195644 468792285 /nfs/dbraw/zinc/79/22/85/468792285.db2.gz QGEJROBKMOHBKC-OAHLLOKOSA-N 1 0 342.399 2.312 20 5 EEBDRO COc1ccc(CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560768313 468845156 /nfs/dbraw/zinc/84/51/56/468845156.db2.gz KCXXLPZLAVPYQV-UKRRQHHQSA-N 1 0 347.415 2.231 20 5 EEBDRO Cc1ccccc1C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584346116 468851087 /nfs/dbraw/zinc/85/10/87/468851087.db2.gz SHERUOFLDBNAHH-HNNXBMFYSA-N 1 0 332.404 2.028 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598611379 468933127 /nfs/dbraw/zinc/93/31/27/468933127.db2.gz HODSJWGSDPATEC-LBPRGKRZSA-N 1 0 336.392 2.166 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695851 468958284 /nfs/dbraw/zinc/95/82/84/468958284.db2.gz IHMHTMINKWPRLJ-HIFRSBDPSA-N 1 0 338.404 2.465 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593492599 469003657 /nfs/dbraw/zinc/00/36/57/469003657.db2.gz AIZSZMJZZHNJAJ-ZDUSSCGKSA-N 1 0 337.395 2.467 20 5 EEBDRO CCN1C[C@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000593498607 469006095 /nfs/dbraw/zinc/00/60/95/469006095.db2.gz FPTUPTILMQNFEK-LBPRGKRZSA-N 1 0 328.372 2.154 20 5 EEBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)CCF)cc1Br ZINC000602713258 469027376 /nfs/dbraw/zinc/02/73/76/469027376.db2.gz SAYLNROONQIVAQ-LURJTMIESA-N 1 0 327.175 2.229 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593665432 469083728 /nfs/dbraw/zinc/08/37/28/469083728.db2.gz DMORFNRPRIJKKL-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733370 469115235 /nfs/dbraw/zinc/11/52/35/469115235.db2.gz MAHXAYQZCPKJLO-OCCSQVGLSA-N 1 0 334.420 2.291 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(c2ccccc2)C1 ZINC000601964861 469117161 /nfs/dbraw/zinc/11/71/61/469117161.db2.gz QPGCHXKFIHVQDE-MRXNPFEDSA-N 1 0 328.368 2.434 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]CC2)c(F)c1N1CCOCC1 ZINC000601983810 469128345 /nfs/dbraw/zinc/12/83/45/469128345.db2.gz OUXXBMGIODCPNM-GFCCVEGCSA-N 1 0 338.383 2.125 20 5 EEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602037419 469156519 /nfs/dbraw/zinc/15/65/19/469156519.db2.gz ANTVMFJIEWNYAF-MRXNPFEDSA-N 1 0 332.404 2.140 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000602922031 469166752 /nfs/dbraw/zinc/16/67/52/469166752.db2.gz KHDOZLPGVKCHIV-UHFFFAOYSA-N 1 0 335.408 2.142 20 5 EEBDRO CC(C)CN(CC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589192560 469210915 /nfs/dbraw/zinc/21/09/15/469210915.db2.gz JVGLYOPHENGELV-UHFFFAOYSA-N 1 0 337.420 2.386 20 5 EEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000573992288 469241782 /nfs/dbraw/zinc/24/17/82/469241782.db2.gz QBIVAANOPONYAR-UHFFFAOYSA-N 1 0 331.376 2.090 20 5 EEBDRO CO[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000602436423 469316507 /nfs/dbraw/zinc/31/65/07/469316507.db2.gz ZZULAVGTKKLOSG-GOSISDBHSA-N 1 0 349.431 2.158 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602515495 469345922 /nfs/dbraw/zinc/34/59/22/469345922.db2.gz WTYLNODFUXQOHD-SFYZADRCSA-N 1 0 330.182 2.213 20 5 EEBDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611939751 469348679 /nfs/dbraw/zinc/34/86/79/469348679.db2.gz NORAGUHWHUCOKT-UKRRQHHQSA-N 1 0 331.372 2.389 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)n1 ZINC000616008173 469353328 /nfs/dbraw/zinc/35/33/28/469353328.db2.gz WBZRGTXORKYOHO-HOTGVXAUSA-N 1 0 333.436 2.491 20 5 EEBDRO CCC(CC)[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551451 469358476 /nfs/dbraw/zinc/35/84/76/469358476.db2.gz DNKWRCGLMHMBCJ-INIZCTEOSA-N 1 0 336.436 2.345 20 5 EEBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000602578538 469369686 /nfs/dbraw/zinc/36/96/86/469369686.db2.gz YOYHVDPSVVQFFA-HZMBPMFUSA-N 1 0 347.337 2.422 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602597848 469379176 /nfs/dbraw/zinc/37/91/76/469379176.db2.gz HCWPMHFAFFTWPC-UMSPYCQHSA-N 1 0 325.796 2.424 20 5 EEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000602604958 469381308 /nfs/dbraw/zinc/38/13/08/469381308.db2.gz SHNDDEAKBGOLOX-MGCOHNPYSA-N 1 0 342.193 2.357 20 5 EEBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000619871643 469693244 /nfs/dbraw/zinc/69/32/44/469693244.db2.gz RDRAPDAJHIOJBT-HNNXBMFYSA-N 1 0 347.415 2.230 20 5 EEBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690152 469760222 /nfs/dbraw/zinc/76/02/22/469760222.db2.gz WYYCPDKBUPCZAW-AWEZNQCLSA-N 1 0 340.383 2.442 20 5 EEBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609222795 469903473 /nfs/dbraw/zinc/90/34/73/469903473.db2.gz HPIPBBVUKXIKEI-LBPRGKRZSA-N 1 0 346.387 2.297 20 5 EEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609561448 469940274 /nfs/dbraw/zinc/94/02/74/469940274.db2.gz CLHZVJOANYNWAY-AWEZNQCLSA-N 1 0 342.399 2.444 20 5 EEBDRO CNc1nc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454772406 485482945 /nfs/dbraw/zinc/48/29/45/485482945.db2.gz XSCOJVVOVFQPDR-CYBMUJFWSA-N 1 0 349.435 2.416 20 5 EEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000602538399 485640883 /nfs/dbraw/zinc/64/08/83/485640883.db2.gz FKVNSGWRYQDYIT-BRWVUGGUSA-N 1 0 336.388 2.290 20 5 EEBDRO Cc1noc(C)c1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602538466 485641677 /nfs/dbraw/zinc/64/16/77/485641677.db2.gz MDXNKPLYEKZHTP-UHFFFAOYSA-N 1 0 345.403 2.396 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000420335595 534027391 /nfs/dbraw/zinc/02/73/91/534027391.db2.gz LSYLKVLQPKLJRK-PWSUYJOCSA-N 1 0 340.811 2.246 20 5 EEBDRO CC(C)(O)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000189886387 527339997 /nfs/dbraw/zinc/33/99/97/527339997.db2.gz VBNDZZUMEZBAFD-UHFFFAOYSA-N 1 0 341.795 2.422 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000173993800 528259728 /nfs/dbraw/zinc/25/97/28/528259728.db2.gz IFYRSPOPNHHLKR-CQSZACIVSA-N 1 0 341.433 2.008 20 5 EEBDRO CC[C@](C)(O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000189736802 529373021 /nfs/dbraw/zinc/37/30/21/529373021.db2.gz APVXEUFRQAPFEG-KRWDZBQOSA-N 1 0 332.404 2.455 20 5 EEBDRO COC[C@@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451203264 536824749 /nfs/dbraw/zinc/82/47/49/536824749.db2.gz PCSYHSXSDXGRAA-WBVHZDCISA-N 1 0 333.388 2.059 20 5 EEBDRO C[C@@H]1COCCN1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000729545099 576664379 /nfs/dbraw/zinc/66/43/79/576664379.db2.gz AONMXJLTWYNOLF-SNVBAGLBSA-N 1 0 342.783 2.090 20 5 EEBDRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678020 577116084 /nfs/dbraw/zinc/11/60/84/577116084.db2.gz FENCNFXNSOUKCE-QGZVFWFLSA-N 1 0 329.356 2.376 20 5 EEBDRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000733159394 577206688 /nfs/dbraw/zinc/20/66/88/577206688.db2.gz PXDFNFFIMSRGDV-MRXNPFEDSA-N 1 0 347.415 2.276 20 5 EEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771460553 577213701 /nfs/dbraw/zinc/21/37/01/577213701.db2.gz QEMXHCCJPCSLDR-GHMZBOCLSA-N 1 0 340.811 2.211 20 5 EEBDRO CC(C)N(C)C(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578023 577462951 /nfs/dbraw/zinc/46/29/51/577462951.db2.gz AARXYBNAPHQMRB-QGZVFWFLSA-N 1 0 349.431 2.207 20 5 EEBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591685 577463593 /nfs/dbraw/zinc/46/35/93/577463593.db2.gz UGLJOGORCSHARQ-NVXWUHKLSA-N 1 0 330.388 2.371 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC[C@H]3CCOC3)CC2)cc1 ZINC000765900597 577508888 /nfs/dbraw/zinc/50/88/88/577508888.db2.gz REURMDCIAPNNIT-HNNXBMFYSA-N 1 0 349.431 2.206 20 5 EEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755169954 577821095 /nfs/dbraw/zinc/82/10/95/577821095.db2.gz PBUPZDPZXDXZJP-YMTOWFKASA-N 1 0 327.768 2.344 20 5 EEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748713189 577966008 /nfs/dbraw/zinc/96/60/08/577966008.db2.gz QXJRSSOJCGAIDQ-UONOGXRCSA-N 1 0 348.359 2.168 20 5 EEBDRO COc1cc(C[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000741257061 578115709 /nfs/dbraw/zinc/11/57/09/578115709.db2.gz BSXSZFQIXPFLIR-NSHDSACASA-N 1 0 346.330 2.455 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001020542781 675034845 /nfs/dbraw/zinc/03/48/45/675034845.db2.gz SKDYXXYPKSNYTM-JOCQHMNTSA-N 1 0 349.435 2.036 20 5 EEBDRO CC[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000891211717 676178509 /nfs/dbraw/zinc/17/85/09/676178509.db2.gz KABRMGBARUCWCV-UHFFFAOYSA-N 1 0 339.358 2.355 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804813539 675641606 /nfs/dbraw/zinc/64/16/06/675641606.db2.gz RKCHZEGGUQYZGD-OCCSQVGLSA-N 1 0 332.404 2.017 20 5 EEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000890884543 675696460 /nfs/dbraw/zinc/69/64/60/675696460.db2.gz UJNFWVYIEZIDPO-UHFFFAOYSA-N 1 0 337.420 2.410 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CC[NH2+]C2 ZINC000891447042 676626475 /nfs/dbraw/zinc/62/64/75/676626475.db2.gz RVFFHZAVGGIPFK-UHFFFAOYSA-N 1 0 340.383 2.240 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891587253 676706953 /nfs/dbraw/zinc/70/69/53/676706953.db2.gz SGSRXQYMLLVDSZ-DLBZAZTESA-N 1 0 346.431 2.453 20 5 EEBDRO C[N@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177053144 679827699 /nfs/dbraw/zinc/82/76/99/679827699.db2.gz TXMZEMFHTCXLKO-UHFFFAOYSA-N 1 0 346.362 2.178 20 5 EEBDRO CC(F)(F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000982986937 681613240 /nfs/dbraw/zinc/61/32/40/681613240.db2.gz BEUAAGFSEBXPLQ-HAQNSBGRSA-N 1 0 327.331 2.234 20 5 EEBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000892580393 681848859 /nfs/dbraw/zinc/84/88/59/681848859.db2.gz HQEUQZDPVHPEKT-NSHDSACASA-N 1 0 347.337 2.424 20 5 EEBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233480 683504926 /nfs/dbraw/zinc/50/49/26/683504926.db2.gz VMJSPZLNSWXMGS-WCBMZHEXSA-N 1 0 342.783 2.483 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccnc(F)c1 ZINC001020019659 683530081 /nfs/dbraw/zinc/53/00/81/683530081.db2.gz QRUQJDNPWIDGDO-HDJSIYSDSA-N 1 0 344.346 2.180 20 5 EEBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000893031450 683598908 /nfs/dbraw/zinc/59/89/08/683598908.db2.gz ZLZCEFAHOIOGCV-GFCCVEGCSA-N 1 0 327.812 2.306 20 5 EEBDRO Cc1nccn1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000895116580 683952266 /nfs/dbraw/zinc/95/22/66/683952266.db2.gz XOMNBLGMVQTIKG-UHFFFAOYSA-N 1 0 327.344 2.064 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000125141874 686917808 /nfs/dbraw/zinc/91/78/08/686917808.db2.gz YIVSIVBBMSYJSC-VHSXEESVSA-N 1 0 347.824 2.057 20 5 EEBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)ccc1[N+](=O)[O-] ZINC001059685597 688116596 /nfs/dbraw/zinc/11/65/96/688116596.db2.gz MGTCHYCUXKGYIS-GASCZTMLSA-N 1 0 344.415 2.058 20 5 EEBDRO CC1(C)CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000905677939 1189862429 /nfs/dbraw/zinc/86/24/29/1189862429.db2.gz HILFEOUDDLIDEX-UHFFFAOYSA-N 1 0 334.420 2.245 20 5 EEBDRO Cc1ccc(F)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643198 1196464515 /nfs/dbraw/zinc/46/45/15/1196464515.db2.gz KBPDIWGKYOGHMT-QBPKDAKJSA-N 1 0 349.406 2.316 20 5 EEBDRO Cc1c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000873127035 1198507138 /nfs/dbraw/zinc/50/71/38/1198507138.db2.gz ZYLSOCOPZDJCRN-UHFFFAOYSA-N 1 0 326.418 2.350 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000878429744 1200462018 /nfs/dbraw/zinc/46/20/18/1200462018.db2.gz NVLDIHFRQHQBLH-UHFFFAOYSA-N 1 0 330.392 2.078 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976422 1200984917 /nfs/dbraw/zinc/98/49/17/1200984917.db2.gz DEJWSURMDFJCJU-RBVVOMGSSA-N 1 0 346.431 2.434 20 5 EEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962576 1201326168 /nfs/dbraw/zinc/32/61/68/1201326168.db2.gz SRXVFYPKHQJRMF-OLZOCXBDSA-N 1 0 335.404 2.405 20 5 EEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880295521 1201449447 /nfs/dbraw/zinc/44/94/47/1201449447.db2.gz UMZFYJWBAPXSNY-NSHDSACASA-N 1 0 325.340 2.223 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC[C@@H]1CCCO1 ZINC000866267715 1201480281 /nfs/dbraw/zinc/48/02/81/1201480281.db2.gz QDGUXMFUEYAZRU-DOMZBBRYSA-N 1 0 326.368 2.450 20 5 EEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866336980 1201495719 /nfs/dbraw/zinc/49/57/19/1201495719.db2.gz HXUUDJZIMNLILL-DIOULYMOSA-N 1 0 326.368 2.449 20 5 EEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887132897 1204213254 /nfs/dbraw/zinc/21/32/54/1204213254.db2.gz PMZRSBZVUTXVOR-KDOFPFPSSA-N 1 0 342.399 2.234 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095423791 1205734372 /nfs/dbraw/zinc/73/43/72/1205734372.db2.gz NWSCINQHMLPTRD-UHFFFAOYSA-N 1 0 348.447 2.412 20 5 EEBDRO CCC[N@H+](C)CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095423892 1205734600 /nfs/dbraw/zinc/73/46/00/1205734600.db2.gz URIZURIMATYJDD-UHFFFAOYSA-N 1 0 348.447 2.330 20 5 EEBDRO CC(C)(C)OC(=O)N[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000930338410 1206550534 /nfs/dbraw/zinc/55/05/34/1206550534.db2.gz ZMNURYPXIIWPIV-LSDHHAIUSA-N 1 0 335.404 2.256 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000932034402 1207518570 /nfs/dbraw/zinc/51/85/70/1207518570.db2.gz LWMVGUMSEITALI-UHFFFAOYSA-N 1 0 346.790 2.383 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932183662 1207556139 /nfs/dbraw/zinc/55/61/39/1207556139.db2.gz VLWUZVKADOWKGB-CQSZACIVSA-N 1 0 343.383 2.441 20 5 EEBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932279086 1207574626 /nfs/dbraw/zinc/57/46/26/1207574626.db2.gz UOLNXAWXFVUOJF-ZTFGCOKTSA-N 1 0 344.415 2.420 20 5 EEBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000934164558 1207914716 /nfs/dbraw/zinc/91/47/16/1207914716.db2.gz YKAHBMXTYHUCIU-RGCMKSIDSA-N 1 0 338.408 2.089 20 5 EEBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000194812624 1211274354 /nfs/dbraw/zinc/27/43/54/1211274354.db2.gz XOYYKQSABICHSY-UHFFFAOYSA-N 1 0 336.348 2.106 20 5 EEBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC001019991393 1229432304 /nfs/dbraw/zinc/43/23/04/1229432304.db2.gz VCOKFZVFNHIIDV-HDJSIYSDSA-N 1 0 346.412 2.410 20 5 EEBDRO CC1(NC(=O)c2cocn2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045381445 1233707217 /nfs/dbraw/zinc/70/72/17/1233707217.db2.gz JWBIHPNKLONWAX-UHFFFAOYSA-N 1 0 344.371 2.367 20 5 EEBDRO O=C(OCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000801872230 1236330713 /nfs/dbraw/zinc/33/07/13/1236330713.db2.gz MUIMOLKNUYWVOR-UHFFFAOYSA-N 1 0 334.372 2.391 20 5 EEBDRO C[N@H+](CC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001057251719 1242761843 /nfs/dbraw/zinc/76/18/43/1242761843.db2.gz UCOXBGLNYRXYSG-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO CC[NH+](CC)CC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101350684 1245700172 /nfs/dbraw/zinc/70/01/72/1245700172.db2.gz YOBUJNQHSQHKHU-UHFFFAOYSA-N 1 0 334.420 2.022 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCCc2ccccc2)CC1 ZINC001195761959 1283707271 /nfs/dbraw/zinc/70/72/71/1283707271.db2.gz TVVWAZKWDIDGAL-QZTJIDSGSA-N 1 0 345.443 2.209 20 5 EEBDRO COc1cc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853353943 1292360594 /nfs/dbraw/zinc/36/05/94/1292360594.db2.gz QALWVXYQPCTUCP-UHFFFAOYSA-N 1 0 349.431 2.460 20 5 EEBDRO Cc1noc(-c2ccccc2)c1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223757858 1300252993 /nfs/dbraw/zinc/25/29/93/1300252993.db2.gz VOOOOZVMPUUEMZ-OAHLLOKOSA-N 1 0 333.408 2.150 20 5 EEBDRO CSc1nc(Cl)cc(N2CC[C@@H](OCC[N+](C)(C)C)C2)n1 ZINC001224776783 1300733752 /nfs/dbraw/zinc/73/37/52/1300733752.db2.gz ZRDJTYVUSJYSIE-LLVKDONJSA-N 1 0 331.893 2.153 20 5 EEBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])c(C(=O)OC)cc1OC ZINC001226430870 1301409455 /nfs/dbraw/zinc/40/94/55/1301409455.db2.gz JVZNXPOQESHFSG-NSHDSACASA-N 1 0 340.376 2.499 20 5 EEBDRO O=c1[nH]cnc(OC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001228143600 1302123254 /nfs/dbraw/zinc/12/32/54/1302123254.db2.gz NOSYCZFJDXFDSE-UHFFFAOYSA-N 1 0 330.344 2.134 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4ccc([N+](=O)[O-])cc43)[C@H]1CC(=O)C2 ZINC001229005932 1302566060 /nfs/dbraw/zinc/56/60/60/1302566060.db2.gz PEFPCJSNTHRCNS-APHBMKBZSA-N 1 0 327.340 2.326 20 5 EEBDRO CCOC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)c2ccccc2n(C)c1=O ZINC001229307388 1302719639 /nfs/dbraw/zinc/71/96/39/1302719639.db2.gz SLUFOSZPGCUPHQ-ZDUSSCGKSA-N 1 0 347.435 2.189 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363739 1302746892 /nfs/dbraw/zinc/74/68/92/1302746892.db2.gz FRSSFGDFJAYFLZ-GFCCVEGCSA-N 1 0 332.360 2.495 20 5 EEBDRO Cc1nn(C[NH+]2CCC([C@H]3CCOC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000784004921 1304398023 /nfs/dbraw/zinc/39/80/23/1304398023.db2.gz HQISFVSZOXTFQY-AWEZNQCLSA-N 1 0 345.403 2.354 20 5 EEBDRO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1C ZINC001233925495 1304641856 /nfs/dbraw/zinc/64/18/56/1304641856.db2.gz VEIBYDRKJSOQIC-UHFFFAOYSA-N 1 0 344.415 2.494 20 5 EEBDRO Cc1c(I)ccnc1O[C@@H](C)C[N+](C)(C)C ZINC001234254789 1304824771 /nfs/dbraw/zinc/82/47/71/1304824771.db2.gz HICGYFWKUCYLRE-VIFPVBQESA-N 1 0 335.209 2.468 20 5 EEBDRO C[N@@H+]1CCC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234361091 1304899157 /nfs/dbraw/zinc/89/91/57/1304899157.db2.gz XMNLABYSWOIAQP-HNNXBMFYSA-N 1 0 335.404 2.295 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799195848 1305182869 /nfs/dbraw/zinc/18/28/69/1305182869.db2.gz LZMOHKOOVJAHMK-HOCLYGCPSA-N 1 0 343.383 2.219 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC001119343683 1309053472 /nfs/dbraw/zinc/05/34/72/1309053472.db2.gz LHVPOFWFCIPTLV-DOTOQJQBSA-N 1 0 342.399 2.178 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(O)CCCc3ccccc32)c1 ZINC001120580845 1309622728 /nfs/dbraw/zinc/62/27/28/1309622728.db2.gz FUFGEPHFLUZJCI-RTBURBONSA-N 1 0 342.395 2.442 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]([NH3+])[C@@H](F)CC2)c1F ZINC001246566254 1310345092 /nfs/dbraw/zinc/34/50/92/1310345092.db2.gz FMNIZNRNIKTIAU-DRZSPHRISA-N 1 0 343.374 2.435 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000839635737 1315223737 /nfs/dbraw/zinc/22/37/37/1315223737.db2.gz JSPQXIOIKUHHMX-FGTMMUONSA-N 1 0 328.368 2.436 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000843085618 1315838326 /nfs/dbraw/zinc/83/83/26/1315838326.db2.gz AIGAMHQCTURIPN-NVXWUHKLSA-N 1 0 346.383 2.048 20 5 EEBDRO O=[N+]([O-])c1ccc(Cc2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)nc1 ZINC000843192484 1315863645 /nfs/dbraw/zinc/86/36/45/1315863645.db2.gz WDQTUYPILWEUOX-VGPLMAKISA-N 1 0 329.360 2.037 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346149 1315895470 /nfs/dbraw/zinc/89/54/70/1315895470.db2.gz MGDNOHFKXATMNK-NHYWBVRUSA-N 1 0 338.383 2.264 20 5 EEBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843365071 1315901493 /nfs/dbraw/zinc/90/14/93/1315901493.db2.gz BIRMWULWPWYCAG-GFCCVEGCSA-N 1 0 340.811 2.261 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843469302 1315919724 /nfs/dbraw/zinc/91/97/24/1315919724.db2.gz LHNFORLDCQJZIU-ZJUUUORDSA-N 1 0 329.759 2.316 20 5 EEBDRO Cc1ccccc1OCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149703495 1316020744 /nfs/dbraw/zinc/02/07/44/1316020744.db2.gz PNYRGFIYDDRVCK-UHFFFAOYSA-N 1 0 343.383 2.188 20 5 EEBDRO COCCC1(NC(C)=O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001150847982 1316392719 /nfs/dbraw/zinc/39/27/19/1316392719.db2.gz APKUYBKEMAWXAI-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO O=C(CCCn1cccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152026190 1316622849 /nfs/dbraw/zinc/62/28/49/1316622849.db2.gz GDOBTUHGCBZDAO-UHFFFAOYSA-N 1 0 330.388 2.083 20 5 EEBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001154723967 1317282629 /nfs/dbraw/zinc/28/26/29/1317282629.db2.gz PRRRRTOKDLXRNX-UHFFFAOYSA-N 1 0 328.372 2.208 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(NC[C@@H]3C[C@H](F)C[NH2+]3)c2c1 ZINC001155033461 1317426365 /nfs/dbraw/zinc/42/63/65/1317426365.db2.gz GPAHONVGHWWKIM-YUMQZZPRSA-N 1 0 325.731 2.303 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001155231707 1317513967 /nfs/dbraw/zinc/51/39/67/1317513967.db2.gz QPXGUJDPLXWWAJ-AWEZNQCLSA-N 1 0 338.408 2.150 20 5 EEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155523443 1317636978 /nfs/dbraw/zinc/63/69/78/1317636978.db2.gz RJRZBGNSFCYOCQ-NQMVMOMDSA-N 1 0 347.202 2.333 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@H]2C[NH+]3CCC2CC3)nc1Cl ZINC001155663183 1317694254 /nfs/dbraw/zinc/69/42/54/1317694254.db2.gz ZHBONMKQCIFHQU-VIFPVBQESA-N 1 0 332.738 2.376 20 5 EEBDRO Cc1cnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001254464414 1318079844 /nfs/dbraw/zinc/07/98/44/1318079844.db2.gz AVDFPPXLALTGPW-UHFFFAOYSA-N 1 0 341.415 2.494 20 5 EEBDRO CN(C)/C=C/c1cc(-n2ccc3cc(C[NH3+])cnc32)ncc1[N+](=O)[O-] ZINC001156599998 1318097478 /nfs/dbraw/zinc/09/74/78/1318097478.db2.gz GGXMJOZPMAZNEX-HWKANZROSA-N 1 0 338.371 2.320 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001254570121 1318124202 /nfs/dbraw/zinc/12/42/02/1318124202.db2.gz MYINMTSYFYFDSW-ZFWWWQNUSA-N 1 0 328.372 2.469 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OC3COC3)ccn1)C2 ZINC001254573502 1318126571 /nfs/dbraw/zinc/12/65/71/1318126571.db2.gz ARLPIHWHBYGQIQ-AWEZNQCLSA-N 1 0 341.367 2.024 20 5 EEBDRO COc1cccc([C@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254577642 1318128798 /nfs/dbraw/zinc/12/87/98/1318128798.db2.gz FZHQNXATJQUCRI-YJBOKZPZSA-N 1 0 328.368 2.394 20 5 EEBDRO O=C1NCCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254609823 1318143961 /nfs/dbraw/zinc/14/39/61/1318143961.db2.gz YXFMKHCLAWWYIK-OAHLLOKOSA-N 1 0 331.372 2.027 20 5 EEBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS1 ZINC001254612648 1318146304 /nfs/dbraw/zinc/14/63/04/1318146304.db2.gz XMXIOKKDFXITTF-GJZGRUSLSA-N 1 0 336.413 2.043 20 5 EEBDRO Cc1nscc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156823261 1318227351 /nfs/dbraw/zinc/22/73/51/1318227351.db2.gz WIPNLZTVVVXKDB-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO CCOc1nc(N2CCN(c3cc[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC001158107746 1319019431 /nfs/dbraw/zinc/01/94/31/1319019431.db2.gz FFXRQNMSCBUCQN-UHFFFAOYSA-N 1 0 343.387 2.419 20 5 EEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001158172526 1319057861 /nfs/dbraw/zinc/05/78/61/1319057861.db2.gz GYDPIWXAABJBMN-DTORHVGOSA-N 1 0 342.783 2.007 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NCc3ncn4c3C[NH2+]CCC4)nc2c1 ZINC001158358982 1319199653 /nfs/dbraw/zinc/19/96/53/1319199653.db2.gz BGIRSAUPRJRZMP-UHFFFAOYSA-N 1 0 338.371 2.445 20 5 EEBDRO CCOC(=O)C1(Nc2nccc(Cl)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158568392 1319310390 /nfs/dbraw/zinc/31/03/90/1319310390.db2.gz FLCJOOSRUZLGTQ-UHFFFAOYSA-N 1 0 342.783 2.083 20 5 EEBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159032268 1319569468 /nfs/dbraw/zinc/56/94/68/1319569468.db2.gz WVZKKXZCAHBJQR-UHFFFAOYSA-N 1 0 340.383 2.136 20 5 EEBDRO O=C(NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001159041010 1319574430 /nfs/dbraw/zinc/57/44/30/1319574430.db2.gz UQFSQHKFWVARMW-UHFFFAOYSA-N 1 0 339.342 2.498 20 5 EEBDRO CCOCC(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159143953 1319638813 /nfs/dbraw/zinc/63/88/13/1319638813.db2.gz NNOYMASBMISPKM-UHFFFAOYSA-N 1 0 347.415 2.270 20 5 EEBDRO Cc1ccc(-c2ccc(N[C@H](C)[C@H]3C[NH2+]CCO3)nn2)cc1[N+](=O)[O-] ZINC001159498362 1319839272 /nfs/dbraw/zinc/83/92/72/1319839272.db2.gz LBUFNZVWZFRDAA-MLGOLLRUSA-N 1 0 343.387 2.149 20 5 EEBDRO COC(=O)c1ccnc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001160126558 1320076848 /nfs/dbraw/zinc/07/68/48/1320076848.db2.gz YQXPHRUCOADVKS-UHFFFAOYSA-N 1 0 340.339 2.222 20 5 EEBDRO O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc21 ZINC001161464399 1320508663 /nfs/dbraw/zinc/50/86/63/1320508663.db2.gz LGXJJSSPWSFAJF-CQSZACIVSA-N 1 0 341.415 2.381 20 5 EEBDRO COCCC1(CNc2nc(Cl)nc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161497436 1320518424 /nfs/dbraw/zinc/51/84/24/1320518424.db2.gz PNFBNLQTISPCFP-UHFFFAOYSA-N 1 0 343.815 2.165 20 5 EEBDRO COCCC1(CNc2cc(Cl)cc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001161503723 1320520864 /nfs/dbraw/zinc/52/08/64/1320520864.db2.gz RMEOSJNSPBPNQA-UHFFFAOYSA-N 1 0 328.800 2.461 20 5 EEBDRO [NH3+]C1(c2cccnc2)CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001161581122 1320546887 /nfs/dbraw/zinc/54/68/87/1320546887.db2.gz FGAUWBMKBQIYCG-UHFFFAOYSA-N 1 0 333.779 2.493 20 5 EEBDRO Cc1ccc(C)c(CCNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1 ZINC001161829776 1320640779 /nfs/dbraw/zinc/64/07/79/1320640779.db2.gz CLJVKDNOFABYNV-UHFFFAOYSA-N 1 0 327.388 2.343 20 5 EEBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cccc(N(C)C)c1 ZINC001162635354 1320917619 /nfs/dbraw/zinc/91/76/19/1320917619.db2.gz OJGHKJMSBWRWHK-NSHDSACASA-N 1 0 342.403 2.311 20 5 EEBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc2cccnc21 ZINC001163176575 1321059556 /nfs/dbraw/zinc/05/95/56/1321059556.db2.gz UONPBDGFEOYUOR-XPKDYRNWSA-N 1 0 328.372 2.179 20 5 EEBDRO COc1cnc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)c([N+](=O)[O-])c1 ZINC001163218761 1321070198 /nfs/dbraw/zinc/07/01/98/1321070198.db2.gz RDBVDYIDSWQKFD-UHFFFAOYSA-N 1 0 325.328 2.310 20 5 EEBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163255294 1321077772 /nfs/dbraw/zinc/07/77/72/1321077772.db2.gz XQWDHXSFDWFJHQ-WMZOPIPTSA-N 1 0 338.367 2.252 20 5 EEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163284558 1321087719 /nfs/dbraw/zinc/08/77/19/1321087719.db2.gz MGDSIBANYBAPRZ-ZBEGNZNMSA-N 1 0 331.376 2.042 20 5 EEBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC001163462545 1321131808 /nfs/dbraw/zinc/13/18/08/1321131808.db2.gz RYONYNYVTCAIQF-AWEZNQCLSA-N 1 0 330.344 2.197 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164249522 1321329592 /nfs/dbraw/zinc/32/95/92/1321329592.db2.gz DQMCZOKFLJEKHK-MRXNPFEDSA-N 1 0 336.392 2.122 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC001164435367 1321377745 /nfs/dbraw/zinc/37/77/45/1321377745.db2.gz BBVYGCHIQJMSSH-UHFFFAOYSA-N 1 0 327.388 2.190 20 5 EEBDRO [NH3+]C1CC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001165244284 1321482404 /nfs/dbraw/zinc/48/24/04/1321482404.db2.gz YAFSBRBLOBXHBN-UHFFFAOYSA-N 1 0 332.191 2.399 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2CF)CC1 ZINC001165431811 1321524895 /nfs/dbraw/zinc/52/48/95/1321524895.db2.gz RJNGKILIIYKSKY-ZWNOBZJWSA-N 1 0 331.351 2.051 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166899568 1321812558 /nfs/dbraw/zinc/81/25/58/1321812558.db2.gz CCLCJUVNGVFDEU-QGZVFWFLSA-N 1 0 328.372 2.477 20 5 EEBDRO Cc1nn(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001262051931 1322227036 /nfs/dbraw/zinc/22/70/36/1322227036.db2.gz FHFRYKQUHXUTSI-HNNXBMFYSA-N 1 0 329.404 2.436 20 5 EEBDRO Cc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc([N+](=O)[O-])c1 ZINC001263655627 1322499796 /nfs/dbraw/zinc/49/97/96/1322499796.db2.gz MZRHVEMURREODG-HNNXBMFYSA-N 1 0 338.433 2.462 20 5 EEBDRO CCc1nn(C)c(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001307236958 1331520867 /nfs/dbraw/zinc/52/08/67/1331520867.db2.gz SKUOQZZIKFYXOY-CQSZACIVSA-N 1 0 347.394 2.051 20 5 EEBDRO CCOc1cc(C[NH2+][C@H]2CCO[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC001307978295 1331557228 /nfs/dbraw/zinc/55/72/28/1331557228.db2.gz QGOGLQRLEAAGBO-SWLSCSKDSA-N 1 0 348.359 2.305 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ncncc3C2)cccc1[N+](=O)[O-] ZINC001308029982 1331560201 /nfs/dbraw/zinc/56/02/01/1331560201.db2.gz SFCHUMQJPYCQEE-UHFFFAOYSA-N 1 0 341.371 2.080 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318433216 1332533661 /nfs/dbraw/zinc/53/36/61/1332533661.db2.gz GIOGJVDBRNXBKS-KBPBESRZSA-N 1 0 341.433 2.054 20 5 EEBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001320921984 1332979917 /nfs/dbraw/zinc/97/99/17/1332979917.db2.gz HJRJHWDCLPKPMR-HNNXBMFYSA-N 1 0 349.435 2.219 20 5 EEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609167046 1351873785 /nfs/dbraw/zinc/87/37/85/1351873785.db2.gz YPTBGBNXYDBGOG-RYUDHWBXSA-N 1 0 345.407 2.307 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C[NH2+]CC2 ZINC001326597959 1334122006 /nfs/dbraw/zinc/12/20/06/1334122006.db2.gz JQUVPOOPVCXZRO-UHFFFAOYSA-N 1 0 325.368 2.213 20 5 EEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609284166 1351921535 /nfs/dbraw/zinc/92/15/35/1351921535.db2.gz DODDKMIXUAEGAV-CQSZACIVSA-N 1 0 345.407 2.307 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001328503962 1334470010 /nfs/dbraw/zinc/47/00/10/1334470010.db2.gz DCZITWUXTYXBLO-QMMMGPOBSA-N 1 0 347.400 2.161 20 5 EEBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001328599214 1334486753 /nfs/dbraw/zinc/48/67/53/1334486753.db2.gz YNUDEFYYSPSODX-ZDUSSCGKSA-N 1 0 349.387 2.341 20 5 EEBDRO Cc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001330666970 1334884796 /nfs/dbraw/zinc/88/47/96/1334884796.db2.gz UHODVURHOYAJKA-UHFFFAOYSA-N 1 0 327.388 2.452 20 5 EEBDRO CC(C)([NH3+])CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001331402901 1335008358 /nfs/dbraw/zinc/00/83/58/1335008358.db2.gz DXLRPOZYPNLMOS-UHFFFAOYSA-N 1 0 330.182 2.215 20 5 EEBDRO Cc1cc(NCC23CCC[NH+]2CCC3)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609409865 1351965226 /nfs/dbraw/zinc/96/52/26/1351965226.db2.gz ZWDGQWZSUIZYBK-UHFFFAOYSA-N 1 0 343.391 2.124 20 5 EEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC001331599527 1335043809 /nfs/dbraw/zinc/04/38/09/1335043809.db2.gz DZXFRQCDFJDUFM-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001339142358 1336965608 /nfs/dbraw/zinc/96/56/08/1336965608.db2.gz RBDOTRHXQREHLR-ZDUSSCGKSA-N 1 0 341.770 2.140 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC001340208422 1337137636 /nfs/dbraw/zinc/13/76/36/1337137636.db2.gz BVEOSHFEUOWWGG-SNVBAGLBSA-N 1 0 341.209 2.427 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC001341642134 1337295816 /nfs/dbraw/zinc/29/58/16/1337295816.db2.gz HDOIHIQWUKJFDU-HZPDHXFCSA-N 1 0 329.400 2.300 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001348454106 1337552425 /nfs/dbraw/zinc/55/24/25/1337552425.db2.gz MABDELJTVBTABO-UHFFFAOYSA-N 1 0 332.404 2.383 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(c2ccccn2)CC1 ZINC001353326230 1338238832 /nfs/dbraw/zinc/23/88/32/1338238832.db2.gz DPNUZFXUZCOHBT-AWEZNQCLSA-N 1 0 343.383 2.051 20 5 EEBDRO CN(CCNC(=O)C12CCC[NH+](CCC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC001100391829 1338339407 /nfs/dbraw/zinc/33/94/07/1338339407.db2.gz GDEXXBWTSAFEQW-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001575798315 1343888058 /nfs/dbraw/zinc/88/80/58/1343888058.db2.gz GKUSMEQRZICNGC-SOUVJXGZSA-N 1 0 347.415 2.500 20 5 EEBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001580753129 1344554944 /nfs/dbraw/zinc/55/49/44/1344554944.db2.gz ACDAXGFWTUYRML-AWEZNQCLSA-N 1 0 340.383 2.299 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001580770556 1344556518 /nfs/dbraw/zinc/55/65/18/1344556518.db2.gz NONGQZJNTQAPOZ-KPZWWZAWSA-N 1 0 341.367 2.313 20 5 EEBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001590376871 1349291272 /nfs/dbraw/zinc/29/12/72/1349291272.db2.gz BCDXISWIDVZNTO-UHFFFAOYSA-N 1 0 345.407 2.086 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC001593466711 1349804050 /nfs/dbraw/zinc/80/40/50/1349804050.db2.gz FGDISJAQWYQZFX-ZDUSSCGKSA-N 1 0 340.343 2.357 20 5 EEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1-c1nn[nH]n1 ZINC001593478021 1349810854 /nfs/dbraw/zinc/81/08/54/1349810854.db2.gz OUMCJHSTBYVYPP-UKRRQHHQSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001593479933 1349813048 /nfs/dbraw/zinc/81/30/48/1349813048.db2.gz CLDSYFPTJZEQNT-OLZOCXBDSA-N 1 0 343.391 2.204 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000090322565 1357050945 /nfs/dbraw/zinc/05/09/45/1357050945.db2.gz ACVNVVXHBRVTFW-GHMZBOCLSA-N 1 0 326.194 2.009 20 5 EEBDRO Cn1c(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000425618780 1367107118 /nfs/dbraw/zinc/10/71/18/1367107118.db2.gz GEWCRXKXRMIDKB-AWEZNQCLSA-N 1 0 342.399 2.457 20 5 EEBDRO CC(C)(CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000830876859 1372356101 /nfs/dbraw/zinc/35/61/01/1372356101.db2.gz BAZXZZZVCCOHJP-MRXNPFEDSA-N 1 0 333.432 2.460 20 5 EEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000832496228 1372447773 /nfs/dbraw/zinc/44/77/73/1372447773.db2.gz PDRYHYHBIBISMM-CHWSQXEVSA-N 1 0 338.383 2.012 20 5 EEBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C1 ZINC000839537330 1372908800 /nfs/dbraw/zinc/90/88/00/1372908800.db2.gz WSJDFASQMANPAF-LBTBCDHLSA-N 1 0 345.443 2.446 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001577309497 1403637135 /nfs/dbraw/zinc/63/71/35/1403637135.db2.gz WOOSVAOQXIOTER-JSGCOSHPSA-N 1 0 328.372 2.200 20 5 EEBDRO [NH3+]C[C@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001580265811 1403855843 /nfs/dbraw/zinc/85/58/43/1403855843.db2.gz RCURMIYGECLTCQ-SECBINFHSA-N 1 0 337.767 2.079 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592135235 1404003820 /nfs/dbraw/zinc/00/38/20/1404003820.db2.gz GMTMTPPQLRGXHQ-LLVKDONJSA-N 1 0 339.359 2.329 20 5 EEBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2([NH3+])CCCC2)no1 ZINC000261722503 1405797383 /nfs/dbraw/zinc/79/73/83/1405797383.db2.gz JQLLPFGWBYAZDI-JTQLQIEISA-N 1 0 345.359 2.197 20 5 EEBDRO CCN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001100728927 1410703586 /nfs/dbraw/zinc/70/35/86/1410703586.db2.gz AQHHMFMRPGBENL-UHFFFAOYSA-N 1 0 348.447 2.269 20 5 EEBDRO COc1ncnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001167069009 757124603 /nfs/dbraw/zinc/12/46/03/757124603.db2.gz INMRNJBLLPYAGR-UHFFFAOYSA-N 1 0 341.371 2.166 20 5 EEBDRO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136781 776581598 /nfs/dbraw/zinc/58/15/98/776581598.db2.gz HAJKAWSWMQQTKF-IAGOWNOFSA-N 1 0 331.416 2.003 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1c[nH]cc1C1CC1 ZINC001136071679 785098403 /nfs/dbraw/zinc/09/84/03/785098403.db2.gz MOTKBHCSJXXOJP-UHFFFAOYSA-N 1 0 328.372 2.320 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818522120 785269735 /nfs/dbraw/zinc/26/97/35/785269735.db2.gz BKCCXMPXYDLVEF-ZWNOBZJWSA-N 1 0 336.348 2.059 20 5 EEBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818532874 785274722 /nfs/dbraw/zinc/27/47/22/785274722.db2.gz SOXDYMBVHAJPCO-SNVBAGLBSA-N 1 0 329.759 2.270 20 5 EEBDRO Cc1c(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818559666 785293289 /nfs/dbraw/zinc/29/32/89/785293289.db2.gz GPHVNDCNWZISMC-UHFFFAOYSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000818593926 785316079 /nfs/dbraw/zinc/31/60/79/785316079.db2.gz SZDBEMCWUWTQTA-SFHVURJKSA-N 1 0 346.431 2.396 20 5 EEBDRO C[C@@H](O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000819130173 785435974 /nfs/dbraw/zinc/43/59/74/785435974.db2.gz GSLLTBICOMKBDN-CJNGLKHVSA-N 1 0 346.383 2.178 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000819177180 785449267 /nfs/dbraw/zinc/44/92/67/785449267.db2.gz RNAWSXLOPXWMJL-NUEKZKHPSA-N 1 0 338.429 2.273 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000819210832 785473286 /nfs/dbraw/zinc/47/32/86/785473286.db2.gz YIFBCLXRIDFEFR-HZPDHXFCSA-N 1 0 336.388 2.294 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908577814 785544811 /nfs/dbraw/zinc/54/48/11/785544811.db2.gz WRCYVWHPSRNTRJ-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO COc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000820628832 785995843 /nfs/dbraw/zinc/99/58/43/785995843.db2.gz CNVBQRYOVLXCOM-UHFFFAOYSA-N 1 0 349.431 2.460 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910285864 786616986 /nfs/dbraw/zinc/61/69/86/786616986.db2.gz VPRMHYGVEBZBCI-CYBMUJFWSA-N 1 0 335.404 2.089 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107269637 786669696 /nfs/dbraw/zinc/66/96/96/786669696.db2.gz UUVLFPRWWMSGGL-PLNGDYQASA-N 1 0 334.420 2.411 20 5 EEBDRO O=[N+]([O-])c1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)ccc1-n1cncn1 ZINC000823259093 787639549 /nfs/dbraw/zinc/63/95/49/787639549.db2.gz KDXHHECTDMZCDH-LLVKDONJSA-N 1 0 341.331 2.040 20 5 EEBDRO Cc1n[nH]cc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996860411 787868901 /nfs/dbraw/zinc/86/89/01/787868901.db2.gz RZQJAESUNJOFET-UHFFFAOYSA-N 1 0 349.416 2.082 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000923276223 789277255 /nfs/dbraw/zinc/27/72/55/789277255.db2.gz OWQOSEZSRZURIG-QWHCGFSZSA-N 1 0 340.383 2.452 20 5 EEBDRO CCCc1onc(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127112718 789335521 /nfs/dbraw/zinc/33/55/21/789335521.db2.gz WKEPIBQZBXKAON-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923436571 789549628 /nfs/dbraw/zinc/54/96/28/789549628.db2.gz PCKBQOAEHKHTRU-OUAUKWLOSA-N 1 0 340.811 2.257 20 5 EEBDRO O=C(Cc1ccc[nH]1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997342646 789644120 /nfs/dbraw/zinc/64/41/20/789644120.db2.gz LPTRNKUGBVNNRG-UHFFFAOYSA-N 1 0 348.428 2.308 20 5 EEBDRO Cc1ccnc(NCCNC(=O)CCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001093704538 795580527 /nfs/dbraw/zinc/58/05/27/795580527.db2.gz VCTFMRQZDJLEHT-UHFFFAOYSA-N 1 0 349.435 2.092 20 5 EEBDRO COCCCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172917734 797149674 /nfs/dbraw/zinc/14/96/74/797149674.db2.gz WQMLRHQSLIFBND-GOSISDBHSA-N 1 0 347.459 2.496 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nn1 ZINC001172911295 797170156 /nfs/dbraw/zinc/17/01/56/797170156.db2.gz IGGHVHGIXHKVPM-AWEZNQCLSA-N 1 0 328.372 2.431 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cnccn3)CC2)c(F)c1 ZINC001173011581 797196095 /nfs/dbraw/zinc/19/60/95/797196095.db2.gz GNLFQGTZOYSUJY-UHFFFAOYSA-N 1 0 349.341 2.422 20 5 EEBDRO C[C@H](CO)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012740 797196489 /nfs/dbraw/zinc/19/64/89/797196489.db2.gz YGIKEROHIGENBF-JTQLQIEISA-N 1 0 329.347 2.060 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H](C)C[C@H]2CO)c1F ZINC001173182005 797279491 /nfs/dbraw/zinc/27/94/91/797279491.db2.gz REZZROVGUKMIJW-TUAOUCFPSA-N 1 0 326.368 2.376 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H](C)C[C@H]2CO)c1F ZINC001173182004 797279543 /nfs/dbraw/zinc/27/95/43/797279543.db2.gz REZZROVGUKMIJW-SRVKXCTJSA-N 1 0 326.368 2.376 20 5 EEBDRO COCCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001174645196 797817066 /nfs/dbraw/zinc/81/70/66/797817066.db2.gz LIDRPBBLPXAPOR-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000917054975 798049413 /nfs/dbraw/zinc/04/94/13/798049413.db2.gz JTQNWELHXDOXFI-UHFFFAOYSA-N 1 0 332.404 2.017 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000917661191 798312305 /nfs/dbraw/zinc/31/23/05/798312305.db2.gz QNAANJFMROJGMQ-CYBMUJFWSA-N 1 0 341.433 2.056 20 5 EEBDRO CCOCC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177828629 799117852 /nfs/dbraw/zinc/11/78/52/799117852.db2.gz YXVJLNCWWSBMDK-UHFFFAOYSA-N 1 0 337.420 2.398 20 5 EEBDRO Cc1conc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003915264 800511788 /nfs/dbraw/zinc/51/17/88/800511788.db2.gz ULAUZQLDWIHMIB-UHFFFAOYSA-N 1 0 344.371 2.286 20 5 EEBDRO Cn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001086060356 802044202 /nfs/dbraw/zinc/04/42/02/802044202.db2.gz ORJMNMFYCBXZCV-AKAXFMLLSA-N 1 0 342.399 2.232 20 5 EEBDRO Cc1cc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000922849881 802075868 /nfs/dbraw/zinc/07/58/68/802075868.db2.gz OTPTYZFNXWNPEP-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998274 803563839 /nfs/dbraw/zinc/56/38/39/803563839.db2.gz KSZAHODSFHKDDX-ZQDZILKHSA-N 1 0 325.453 2.495 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169012547 803571150 /nfs/dbraw/zinc/57/11/50/803571150.db2.gz QXTLHCBYCMPMRD-KBUPBQIOSA-N 1 0 339.436 2.373 20 5 EEBDRO O=c1ccc2c(n1CC1CC1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018257 803587025 /nfs/dbraw/zinc/58/70/25/803587025.db2.gz AGNMVOBMDBTHOM-NVXWUHKLSA-N 1 0 345.443 2.104 20 5 EEBDRO Cc1cc(C)nc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169048278 803594550 /nfs/dbraw/zinc/59/45/50/803594550.db2.gz UDQWYXXVBGQRLE-GDBMZVCRSA-N 1 0 333.436 2.097 20 5 EEBDRO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169053140 803595865 /nfs/dbraw/zinc/59/58/65/803595865.db2.gz HRCQYQVEMLDVQH-JLJPHGGASA-N 1 0 347.415 2.074 20 5 EEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000808191167 812505738 /nfs/dbraw/zinc/50/57/38/812505738.db2.gz MIOVTSXYAYXHPO-OCCSQVGLSA-N 1 0 346.387 2.019 20 5 EEBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC001131603458 813006792 /nfs/dbraw/zinc/00/67/92/813006792.db2.gz CDHSPOBWWKXBCS-UHFFFAOYSA-N 1 0 334.401 2.188 20 5 EEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001522826947 1119514081 /nfs/dbraw/zinc/51/40/81/1119514081.db2.gz NSTGUUVFNLKIIV-GARJFASQSA-N 1 0 325.796 2.388 20 5 EEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959967 214109966 /nfs/dbraw/zinc/10/99/66/214109966.db2.gz PHEBSIHIZYXLAF-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000049969269 214038275 /nfs/dbraw/zinc/03/82/75/214038275.db2.gz LQXJAJJMOUWVST-UHFFFAOYSA-N 1 0 334.420 2.115 20 5 EEBDRO Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000175056903 231377286 /nfs/dbraw/zinc/37/72/86/231377286.db2.gz PFFCLYKNRQSFTA-UHFFFAOYSA-N 1 0 349.435 2.051 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179444271 233037938 /nfs/dbraw/zinc/03/79/38/233037938.db2.gz OXJKYHMNPQHJJC-LBPRGKRZSA-N 1 0 330.388 2.029 20 5 EEBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000183327968 235010668 /nfs/dbraw/zinc/01/06/68/235010668.db2.gz LFCRRPKJCJEBSZ-NSHDSACASA-N 1 0 331.376 2.234 20 5 EEBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262530867 295897369 /nfs/dbraw/zinc/89/73/69/295897369.db2.gz NMVJTDPPHQRCIL-AVGNSLFASA-N 1 0 334.420 2.154 20 5 EEBDRO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184205221 235332148 /nfs/dbraw/zinc/33/21/48/235332148.db2.gz GCHMHECJLIWPPG-UHFFFAOYSA-N 1 0 348.447 2.049 20 5 EEBDRO [NH3+]Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000187888569 236327692 /nfs/dbraw/zinc/32/76/92/236327692.db2.gz GJYZVJXXRXBUDU-UHFFFAOYSA-N 1 0 345.355 2.330 20 5 EEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193919490 240362015 /nfs/dbraw/zinc/36/20/15/240362015.db2.gz AAMAPDVCADCOFY-UHFFFAOYSA-N 1 0 341.433 2.136 20 5 EEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000191789162 239298893 /nfs/dbraw/zinc/29/88/93/239298893.db2.gz RHLVKXRARLRWON-UHFFFAOYSA-N 1 0 349.435 2.196 20 5 EEBDRO [NH3+]C1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCC1 ZINC000423508913 240510130 /nfs/dbraw/zinc/51/01/30/240510130.db2.gz LPQLMJIPKOWUFL-UHFFFAOYSA-N 1 0 339.370 2.432 20 5 EEBDRO COCC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234669216 242278759 /nfs/dbraw/zinc/27/87/59/242278759.db2.gz OWLKCZHJQAOLDG-UHFFFAOYSA-N 1 0 332.198 2.314 20 5 EEBDRO Cc1noc(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447578457 242291283 /nfs/dbraw/zinc/29/12/83/242291283.db2.gz FPAJIFBAOOQFBD-STQMWFEESA-N 1 0 334.380 2.189 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1C ZINC000236651508 242306831 /nfs/dbraw/zinc/30/68/31/242306831.db2.gz OVMSUNFHITZLSF-CYBMUJFWSA-N 1 0 343.449 2.206 20 5 EEBDRO C[C@@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803876 242317794 /nfs/dbraw/zinc/31/77/94/242317794.db2.gz CGYJVQSENZEGOF-ZBFHGGJFSA-N 1 0 348.447 2.322 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451499063 243136108 /nfs/dbraw/zinc/13/61/08/243136108.db2.gz LELXHMUTIPPOBM-HFBAOOFYSA-N 1 0 335.404 2.491 20 5 EEBDRO C[C@H]([NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451611332 243176928 /nfs/dbraw/zinc/17/69/28/243176928.db2.gz PBEVJEMIQSUQRU-GOPGUHFVSA-N 1 0 347.415 2.309 20 5 EEBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455778686 244077257 /nfs/dbraw/zinc/07/72/57/244077257.db2.gz WBVPZOMZTUOIBU-ZDUSSCGKSA-N 1 0 347.419 2.026 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000265102268 247203524 /nfs/dbraw/zinc/20/35/24/247203524.db2.gz FDHARAXNINFIFS-ZDUSSCGKSA-N 1 0 332.404 2.092 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000265248589 247336731 /nfs/dbraw/zinc/33/67/31/247336731.db2.gz JOAOKYDIPBABSA-AWEZNQCLSA-N 1 0 343.387 2.021 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000266316885 248243463 /nfs/dbraw/zinc/24/34/63/248243463.db2.gz FBKXPIVTCCPCEP-QWHCGFSZSA-N 1 0 330.388 2.034 20 5 EEBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000266561816 248361408 /nfs/dbraw/zinc/36/14/08/248361408.db2.gz JRNSRNBISRHODF-GDBMZVCRSA-N 1 0 332.404 2.462 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000091987472 218099612 /nfs/dbraw/zinc/09/96/12/218099612.db2.gz YZANSDQQIXBWKZ-VIFPVBQESA-N 1 0 332.303 2.437 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261790218 285085987 /nfs/dbraw/zinc/08/59/87/285085987.db2.gz YUDCHWYKKURTID-GFCCVEGCSA-N 1 0 344.337 2.098 20 5 EEBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269239265 255551055 /nfs/dbraw/zinc/55/10/55/255551055.db2.gz XVLJBKIZNZTDCM-JQWIXIFHSA-N 1 0 341.795 2.213 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267173555 256034503 /nfs/dbraw/zinc/03/45/03/256034503.db2.gz LPULCSGWJZLNJX-OAHLLOKOSA-N 1 0 338.433 2.462 20 5 EEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000271127355 256210908 /nfs/dbraw/zinc/21/09/08/256210908.db2.gz KTXHEAZEOMNGKN-ABAIWWIYSA-N 1 0 334.376 2.111 20 5 EEBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000273039539 256260005 /nfs/dbraw/zinc/26/00/05/256260005.db2.gz VCQOJGKTBANSJC-UHFFFAOYSA-N 1 0 349.416 2.061 20 5 EEBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000273668724 256316624 /nfs/dbraw/zinc/31/66/24/256316624.db2.gz XHSZYWFONXERAB-UHFFFAOYSA-N 1 0 342.403 2.009 20 5 EEBDRO O=C(CN(CCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275895579 256386520 /nfs/dbraw/zinc/38/65/20/256386520.db2.gz TUWQGHVRMYCPBY-UHFFFAOYSA-N 1 0 327.768 2.034 20 5 EEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276044756 256398363 /nfs/dbraw/zinc/39/83/63/256398363.db2.gz HERMRKKOEVQFNN-JSGCOSHPSA-N 1 0 339.417 2.037 20 5 EEBDRO C[S@](=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348919287 144802920 /nfs/dbraw/zinc/80/29/20/144802920.db2.gz FHWPVWUGIZMMCL-QHCPKHFHSA-N 1 0 333.413 2.298 20 5 EEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000088537196 292207434 /nfs/dbraw/zinc/20/74/34/292207434.db2.gz FOONAILDBFGHAS-UHFFFAOYSA-N 1 0 346.387 2.461 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000377283984 154123514 /nfs/dbraw/zinc/12/35/14/154123514.db2.gz WZJPKTJQHTYEMT-CQSZACIVSA-N 1 0 349.431 2.289 20 5 EEBDRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261821010 160419609 /nfs/dbraw/zinc/41/96/09/160419609.db2.gz UNHYCFWZNXRGGG-MNOVXSKESA-N 1 0 340.811 2.259 20 5 EEBDRO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1nc(Cc2ccccc2)no1 ZINC000131000244 292381308 /nfs/dbraw/zinc/38/13/08/292381308.db2.gz SZJOJNOQIBQONG-GFCCVEGCSA-N 1 0 342.359 2.116 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000104530740 159287784 /nfs/dbraw/zinc/28/77/84/159287784.db2.gz ITKYTZJXXKWRLI-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186170588 160061285 /nfs/dbraw/zinc/06/12/85/160061285.db2.gz BEINJYVWCFSGFG-UHFFFAOYSA-N 1 0 343.449 2.337 20 5 EEBDRO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000246511329 160282962 /nfs/dbraw/zinc/28/29/62/160282962.db2.gz FIXDXNRVZSXDEN-BBRMVZONSA-N 1 0 333.388 2.424 20 5 EEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000186254917 286834044 /nfs/dbraw/zinc/83/40/44/286834044.db2.gz LYEWNLYSOMWAMR-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO COc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000246743616 160292543 /nfs/dbraw/zinc/29/25/43/160292543.db2.gz HBOPLMMANKZYHT-UONOGXRCSA-N 1 0 333.388 2.160 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000341679193 161004877 /nfs/dbraw/zinc/00/48/77/161004877.db2.gz AZXGJWDZGISHDU-ZDUSSCGKSA-N 1 0 328.434 2.330 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000341920300 161024203 /nfs/dbraw/zinc/02/42/03/161024203.db2.gz JDGSVBZQMSTILH-QWHCGFSZSA-N 1 0 326.418 2.379 20 5 EEBDRO NC(=O)c1cccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000342293988 161054189 /nfs/dbraw/zinc/05/41/89/161054189.db2.gz NEZOBAHIFYEPEZ-CYBMUJFWSA-N 1 0 332.404 2.370 20 5 EEBDRO C[N@H+](CC[C@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342577172 161075567 /nfs/dbraw/zinc/07/55/67/161075567.db2.gz BAPUVAYHVKACET-HZPDHXFCSA-N 1 0 333.388 2.201 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCNCC2(F)F)cc1[N+](=O)[O-] ZINC000342644579 161080218 /nfs/dbraw/zinc/08/02/18/161080218.db2.gz BYKBFSLMVFZZHW-ZYHUDNBSSA-N 1 0 327.331 2.325 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345730742 161326874 /nfs/dbraw/zinc/32/68/74/161326874.db2.gz GHQNATGOXVZIFW-UONOGXRCSA-N 1 0 334.420 2.261 20 5 EEBDRO COC1CCC([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000360306046 164280853 /nfs/dbraw/zinc/28/08/53/164280853.db2.gz ZJRWQNLMWGXODH-UHFFFAOYSA-N 1 0 347.415 2.373 20 5 EEBDRO COCC1=CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000360796326 164381947 /nfs/dbraw/zinc/38/19/47/164381947.db2.gz LBCFHZWHSQIYNF-UHFFFAOYSA-N 1 0 347.371 2.171 20 5 EEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000361077225 164424192 /nfs/dbraw/zinc/42/41/92/164424192.db2.gz AEZRJBXJMKZWQU-TZMCWYRMSA-N 1 0 335.429 2.435 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000364478916 165151466 /nfs/dbraw/zinc/15/14/66/165151466.db2.gz OWCHPOWXWMPPFN-UONOGXRCSA-N 1 0 333.388 2.268 20 5 EEBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000155035322 292534107 /nfs/dbraw/zinc/53/41/07/292534107.db2.gz SZANDZAGSUNMGB-ZDUSSCGKSA-N 1 0 337.420 2.456 20 5 EEBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000369272336 166225984 /nfs/dbraw/zinc/22/59/84/166225984.db2.gz BBPNGWJYBDMZTD-INIZCTEOSA-N 1 0 347.415 2.451 20 5 EEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000347358680 287360524 /nfs/dbraw/zinc/36/05/24/287360524.db2.gz LIXKJXNQKAIJRB-HIFRSBDPSA-N 1 0 346.431 2.394 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1C ZINC000123452565 222279748 /nfs/dbraw/zinc/27/97/48/222279748.db2.gz KLROFAREJZBEHS-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000124208378 222392139 /nfs/dbraw/zinc/39/21/39/222392139.db2.gz BYWDXGUHCUHTCC-WCQYABFASA-N 1 0 342.399 2.360 20 5 EEBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1=CC[N@H+](C)CC1 ZINC000272652493 269004252 /nfs/dbraw/zinc/00/42/52/269004252.db2.gz FKIRCRRADIYTTJ-ZDUSSCGKSA-N 1 0 342.399 2.316 20 5 EEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1cnccn1 ZINC000275598656 269128476 /nfs/dbraw/zinc/12/84/76/269128476.db2.gz KIKFBCVAEWLRID-UHFFFAOYSA-N 1 0 347.350 2.027 20 5 EEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278243211 269218657 /nfs/dbraw/zinc/21/86/57/269218657.db2.gz VCPQDKUPFYXDBZ-NSHDSACASA-N 1 0 348.407 2.001 20 5 EEBDRO C[C@@]1(O)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000280202244 269338001 /nfs/dbraw/zinc/33/80/01/269338001.db2.gz UQLCRWGARBTWKT-MRXNPFEDSA-N 1 0 332.360 2.382 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280351691 269354745 /nfs/dbraw/zinc/35/47/45/269354745.db2.gz JAFAYSPZNCUDCA-QGZVFWFLSA-N 1 0 335.404 2.449 20 5 EEBDRO Cc1cc(OCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000280852830 269393970 /nfs/dbraw/zinc/39/39/70/269393970.db2.gz CQVFZEZRMGDORF-WMLDXEAASA-N 1 0 347.415 2.225 20 5 EEBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000281336064 269419231 /nfs/dbraw/zinc/41/92/31/269419231.db2.gz WCLMAUGQSWCFIU-UHFFFAOYSA-N 1 0 334.420 2.265 20 5 EEBDRO CO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000374644447 274079668 /nfs/dbraw/zinc/07/96/68/274079668.db2.gz HCFABYTXBXWFHZ-JKSUJKDBSA-N 1 0 333.388 2.201 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272342120 274167594 /nfs/dbraw/zinc/16/75/94/274167594.db2.gz NHVFKXRYWKVRFK-GHMZBOCLSA-N 1 0 349.416 2.202 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000277596152 274317543 /nfs/dbraw/zinc/31/75/43/274317543.db2.gz OBPVDXLHVBZDOS-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000450804977 274354517 /nfs/dbraw/zinc/35/45/17/274354517.db2.gz BVDLOBWTGKLVDA-CQSZACIVSA-N 1 0 327.388 2.343 20 5 EEBDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284882722 274636080 /nfs/dbraw/zinc/63/60/80/274636080.db2.gz BLRMJFUALZGNNY-JTQLQIEISA-N 1 0 329.422 2.041 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288518506 275066106 /nfs/dbraw/zinc/06/61/06/275066106.db2.gz TVDSSNGQBAMSTJ-NWDGAFQWSA-N 1 0 335.408 2.140 20 5 EEBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361570478 276135660 /nfs/dbraw/zinc/13/56/60/276135660.db2.gz WOOAZYHFZQQOOY-VXGBXAGGSA-N 1 0 339.392 2.287 20 5 EEBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589605 277165275 /nfs/dbraw/zinc/16/52/75/277165275.db2.gz YNHPNEDQVAUFQL-QWHCGFSZSA-N 1 0 337.424 2.169 20 5 EEBDRO C[C@@H](C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CO)c1ccccc1 ZINC000347443632 278242915 /nfs/dbraw/zinc/24/29/15/278242915.db2.gz FYKMDZBANQNEOU-KBPBESRZSA-N 1 0 332.404 2.315 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000437933786 278863151 /nfs/dbraw/zinc/86/31/51/278863151.db2.gz AOQMLYPPRXSVRQ-IAOVAPTHSA-N 1 0 347.415 2.227 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423702805 280397977 /nfs/dbraw/zinc/39/79/77/280397977.db2.gz YWOVETONLSHHRD-LLVKDONJSA-N 1 0 327.331 2.247 20 5 EEBDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284108124 293033280 /nfs/dbraw/zinc/03/32/80/293033280.db2.gz NECQXVARVLBHMD-AWEZNQCLSA-N 1 0 348.447 2.473 20 5 EEBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000293647576 293260297 /nfs/dbraw/zinc/26/02/97/293260297.db2.gz OMTXKLMBUOUSNY-HIFRSBDPSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293906412 293323864 /nfs/dbraw/zinc/32/38/64/293323864.db2.gz RORPDYJBSRZFSU-NSHDSACASA-N 1 0 343.811 2.331 20 5 EEBDRO COc1cc(C(=O)N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000297922439 294374496 /nfs/dbraw/zinc/37/44/96/294374496.db2.gz UOFRTLGZSILPHV-UHFFFAOYSA-N 1 0 327.356 2.155 20 5 EEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000299642767 294794050 /nfs/dbraw/zinc/79/40/50/294794050.db2.gz VQCIMUDGXULEAC-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453332876 298469650 /nfs/dbraw/zinc/46/96/50/298469650.db2.gz IRDUIUNLQURATM-OIISXLGYSA-N 1 0 333.432 2.369 20 5 EEBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261811614 303010054 /nfs/dbraw/zinc/01/00/54/303010054.db2.gz SQCGHQKSUNCPAM-CQSZACIVSA-N 1 0 335.795 2.128 20 5 EEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261997880 303385842 /nfs/dbraw/zinc/38/58/42/303385842.db2.gz UTZRJEPNYJBKKH-JTQLQIEISA-N 1 0 347.824 2.140 20 5 EEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237995982 303420923 /nfs/dbraw/zinc/42/09/23/303420923.db2.gz AYIXBWJKHRCJLU-KOLCDFICSA-N 1 0 347.824 2.044 20 5 EEBDRO Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332374344 311997426 /nfs/dbraw/zinc/99/74/26/311997426.db2.gz CMSSLXNGHJRHNJ-NVXWUHKLSA-N 1 0 347.415 2.262 20 5 EEBDRO Cc1cc(OCC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000332465562 312011509 /nfs/dbraw/zinc/01/15/09/312011509.db2.gz IVTDRROBQQADJT-HUUCEWRRSA-N 1 0 347.415 2.367 20 5 EEBDRO Cn1ccnc1C(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000350731382 312341488 /nfs/dbraw/zinc/34/14/88/312341488.db2.gz ZGAOKYVCXRHPSH-UHFFFAOYSA-N 1 0 345.403 2.311 20 5 EEBDRO CCC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414213474 312983393 /nfs/dbraw/zinc/98/33/93/312983393.db2.gz RGVWBEIFRLAZAG-OAHLLOKOSA-N 1 0 335.404 2.321 20 5 EEBDRO CCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414957153 313115020 /nfs/dbraw/zinc/11/50/20/313115020.db2.gz VVCNDKQBHWLZOZ-UHFFFAOYSA-N 1 0 332.307 2.317 20 5 EEBDRO COc1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417186994 313444100 /nfs/dbraw/zinc/44/41/00/313444100.db2.gz GBYCJCRUZUNTJW-DGCLKSJQSA-N 1 0 336.392 2.015 20 5 EEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417818728 313606509 /nfs/dbraw/zinc/60/65/09/313606509.db2.gz BHAPDVQRUSBNCS-QEJZJMRPSA-N 1 0 332.404 2.215 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418715339 313887213 /nfs/dbraw/zinc/88/72/13/313887213.db2.gz BIEAJROLGVBJJY-SWLSCSKDSA-N 1 0 332.404 2.180 20 5 EEBDRO C[C@@H]([NH3+])CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000420303421 313943450 /nfs/dbraw/zinc/94/34/50/313943450.db2.gz KHILJOOAVQVBEX-SNVBAGLBSA-N 1 0 332.326 2.083 20 5 EEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000420935331 314001707 /nfs/dbraw/zinc/00/17/07/314001707.db2.gz HSZZTVZYUIJSNV-VXGBXAGGSA-N 1 0 332.360 2.095 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000439075572 315066274 /nfs/dbraw/zinc/06/62/74/315066274.db2.gz GUQIUXWNIWYYHC-MSQAHXEGSA-N 1 0 333.388 2.469 20 5 EEBDRO COc1cc(C[NH2+]C[C@H](C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000443857968 315261954 /nfs/dbraw/zinc/26/19/54/315261954.db2.gz VRFAZOLUWJHRFU-VIFPVBQESA-N 1 0 334.319 2.372 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000516533840 316566392 /nfs/dbraw/zinc/56/63/92/316566392.db2.gz ZJFAUIXNRJHKQK-HNNXBMFYSA-N 1 0 334.351 2.105 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCCC1 ZINC000542776374 318139060 /nfs/dbraw/zinc/13/90/60/318139060.db2.gz IOODSBPDNZNMSN-SNVBAGLBSA-N 1 0 343.330 2.410 20 5 EEBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414530 318387159 /nfs/dbraw/zinc/38/71/59/318387159.db2.gz PBASXKWZLHYCGY-UHFFFAOYSA-N 1 0 349.416 2.021 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C[NH+](C)C ZINC000563548189 319022626 /nfs/dbraw/zinc/02/26/26/319022626.db2.gz CKHCYZLWTSLMFA-GFCCVEGCSA-N 1 0 340.399 2.180 20 5 EEBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565906453 319226008 /nfs/dbraw/zinc/22/60/08/319226008.db2.gz YERMMKXALYGCIN-DZKIICNBSA-N 1 0 328.372 2.435 20 5 EEBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000566118588 319247879 /nfs/dbraw/zinc/24/78/79/319247879.db2.gz DMWJBHHXFLCEKP-HNNXBMFYSA-N 1 0 331.372 2.136 20 5 EEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566904563 319331015 /nfs/dbraw/zinc/33/10/15/319331015.db2.gz AGGRLZYIEICQEK-ZDUSSCGKSA-N 1 0 332.404 2.052 20 5 EEBDRO O=C(NCCC[NH2+]C1CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000576281219 320157441 /nfs/dbraw/zinc/15/74/41/320157441.db2.gz YXNSUHKPROSMSK-UHFFFAOYSA-N 1 0 346.431 2.070 20 5 EEBDRO CC(C)[NH2+]CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000578004895 320288259 /nfs/dbraw/zinc/28/82/59/320288259.db2.gz HGAWKGLVHXSQTA-MRXNPFEDSA-N 1 0 331.420 2.395 20 5 EEBDRO CC[C@@H](CSC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578316172 320306998 /nfs/dbraw/zinc/30/69/98/320306998.db2.gz PPONSBXUBDQPFG-NSHDSACASA-N 1 0 332.447 2.100 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000581427891 324251378 /nfs/dbraw/zinc/25/13/78/324251378.db2.gz RGPKPIPFFJESPB-QWHCGFSZSA-N 1 0 337.424 2.130 20 5 EEBDRO Cc1c(Br)c(NC[C@H]2CSCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000603421036 450294147 /nfs/dbraw/zinc/29/41/47/450294147.db2.gz XHQOIUCJGDEGMK-QMMMGPOBSA-N 1 0 347.238 2.178 20 5 EEBDRO Cc1nc2cc(OC(=O)CCn3cc([N+](=O)[O-])nc3C)ccc2n1C ZINC000295993968 465045085 /nfs/dbraw/zinc/04/50/85/465045085.db2.gz DYAAWUZXLXJISQ-UHFFFAOYSA-N 1 0 343.343 2.291 20 5 EEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000327637407 465053735 /nfs/dbraw/zinc/05/37/35/465053735.db2.gz ARAVWJJXBDMCNZ-PBHICJAKSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000347503352 465061696 /nfs/dbraw/zinc/06/16/96/465061696.db2.gz SKKLRLJHUMVINF-AWEZNQCLSA-N 1 0 346.431 2.267 20 5 EEBDRO COCC1(C)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000358774329 465314850 /nfs/dbraw/zinc/31/48/50/465314850.db2.gz WYWIDIVZCKKBEO-OAHLLOKOSA-N 1 0 338.404 2.083 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000590569624 468275336 /nfs/dbraw/zinc/27/53/36/468275336.db2.gz PGRHJNXVPPUXOY-KWQFWETISA-N 1 0 329.198 2.281 20 5 EEBDRO CC(C)[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000337458673 465381921 /nfs/dbraw/zinc/38/19/21/465381921.db2.gz JFDYWZINBCRWSA-INIZCTEOSA-N 1 0 334.420 2.195 20 5 EEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000153050896 462609766 /nfs/dbraw/zinc/60/97/66/462609766.db2.gz QJIFKZAFNUKUCT-UHFFFAOYSA-N 1 0 328.372 2.493 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000074764498 462631770 /nfs/dbraw/zinc/63/17/70/462631770.db2.gz QAKGWZKRBLMOGP-OAHLLOKOSA-N 1 0 332.404 2.017 20 5 EEBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775144 462633694 /nfs/dbraw/zinc/63/36/94/462633694.db2.gz AAZNCIIZUFVBPV-CQSZACIVSA-N 1 0 342.403 2.068 20 5 EEBDRO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000046600773 462691483 /nfs/dbraw/zinc/69/14/83/462691483.db2.gz IIRSVTKOAZIAQR-MRXNPFEDSA-N 1 0 338.404 2.226 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1 ZINC000089644483 462703594 /nfs/dbraw/zinc/70/35/94/462703594.db2.gz NJRAWSMATSMFEZ-HZPDHXFCSA-N 1 0 328.372 2.037 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075745815 462756053 /nfs/dbraw/zinc/75/60/53/462756053.db2.gz BAPHQTBYPSUEKM-UNEWFSDZSA-N 1 0 330.388 2.030 20 5 EEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCOC1 ZINC000117340517 462799897 /nfs/dbraw/zinc/79/98/97/462799897.db2.gz CTZVZTBRVFKWSY-CYBMUJFWSA-N 1 0 349.387 2.251 20 5 EEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000090909867 462815371 /nfs/dbraw/zinc/81/53/71/462815371.db2.gz NFGRMPMUHHIWHU-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156088410 462976814 /nfs/dbraw/zinc/97/68/14/462976814.db2.gz SYIDRGMAXNZUKY-GZMMTYOYSA-N 1 0 342.193 2.309 20 5 EEBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067272801 462986037 /nfs/dbraw/zinc/98/60/37/462986037.db2.gz LFZAJOLYTQAOBQ-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000156362376 463013322 /nfs/dbraw/zinc/01/33/22/463013322.db2.gz LUXQCIFNNCDPEC-GFCCVEGCSA-N 1 0 332.360 2.036 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000067536699 463016693 /nfs/dbraw/zinc/01/66/93/463016693.db2.gz JELYFKQRWXWDEU-UHFFFAOYSA-N 1 0 341.371 2.022 20 5 EEBDRO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026218837 463154480 /nfs/dbraw/zinc/15/44/80/463154480.db2.gz OGNOTUAUNGUKLS-ZDUSSCGKSA-N 1 0 349.387 2.199 20 5 EEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000027765712 463204283 /nfs/dbraw/zinc/20/42/83/463204283.db2.gz YFFLOMVNIWBKOI-LLVKDONJSA-N 1 0 331.376 2.075 20 5 EEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069514633 463264897 /nfs/dbraw/zinc/26/48/97/463264897.db2.gz DWEPEBQBGSTRRR-HUUCEWRRSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC(F)(F)F ZINC000160528217 463346628 /nfs/dbraw/zinc/34/66/28/463346628.db2.gz NOQOISRRLYEJLH-LBPRGKRZSA-N 1 0 345.321 2.184 20 5 EEBDRO CN(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000144265176 463374502 /nfs/dbraw/zinc/37/45/02/463374502.db2.gz OTWBVRVDGWKIJW-QGZVFWFLSA-N 1 0 342.399 2.426 20 5 EEBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)nc2c1 ZINC000083170255 463536969 /nfs/dbraw/zinc/53/69/69/463536969.db2.gz PIQINPVYPRNBLH-LLVKDONJSA-N 1 0 333.344 2.321 20 5 EEBDRO CC(C)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125764262 463576170 /nfs/dbraw/zinc/57/61/70/463576170.db2.gz SBKPXXWMMATWML-HUUCEWRRSA-N 1 0 349.431 2.441 20 5 EEBDRO CC[NH2+]CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165827422 463648187 /nfs/dbraw/zinc/64/81/87/463648187.db2.gz UEHKPFPZWQMKEG-UHFFFAOYSA-N 1 0 330.182 2.087 20 5 EEBDRO CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000276678873 463716280 /nfs/dbraw/zinc/71/62/80/463716280.db2.gz FDZGKTIRCWZBEG-UHFFFAOYSA-N 1 0 335.404 2.212 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000184972462 463728198 /nfs/dbraw/zinc/72/81/98/463728198.db2.gz DCZZDVHGMZQGEP-RRFJBIMHSA-N 1 0 344.415 2.004 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177759782 463783830 /nfs/dbraw/zinc/78/38/30/463783830.db2.gz BMMXSGIKZWJAMJ-OAHLLOKOSA-N 1 0 332.404 2.012 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261711405 463835608 /nfs/dbraw/zinc/83/56/08/463835608.db2.gz BXNIYXUZBQYGGY-BMIGLBTASA-N 1 0 341.795 2.213 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261808248 463866412 /nfs/dbraw/zinc/86/64/12/463866412.db2.gz POLJDOYVXFQKDL-SECBINFHSA-N 1 0 340.767 2.403 20 5 EEBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000277119639 463880211 /nfs/dbraw/zinc/88/02/11/463880211.db2.gz FIBDWLUBWFEKGJ-LBPRGKRZSA-N 1 0 339.367 2.055 20 5 EEBDRO CN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000269121722 463882089 /nfs/dbraw/zinc/88/20/89/463882089.db2.gz HUELTEIPAVAAFW-KRWDZBQOSA-N 1 0 341.367 2.429 20 5 EEBDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000269288331 463942105 /nfs/dbraw/zinc/94/21/05/463942105.db2.gz SGVIREVGSMECOR-GOEBONIOSA-N 1 0 330.388 2.274 20 5 EEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCC[NH2+]1 ZINC000178744964 463959777 /nfs/dbraw/zinc/95/97/77/463959777.db2.gz SZCLDPURWJNKHG-CQSZACIVSA-N 1 0 335.407 2.023 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000269343984 463959829 /nfs/dbraw/zinc/95/98/29/463959829.db2.gz DQOQVXXOGQSZIJ-UHFFFAOYSA-N 1 0 335.408 2.142 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000178960928 464026804 /nfs/dbraw/zinc/02/68/04/464026804.db2.gz VETCSIGNHJUVRK-CQSZACIVSA-N 1 0 341.433 2.089 20 5 EEBDRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626913 464039355 /nfs/dbraw/zinc/03/93/55/464039355.db2.gz CYIIYKWTZFLFDH-XDHUDOTRSA-N 1 0 348.424 2.498 20 5 EEBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1C ZINC000262816574 464048322 /nfs/dbraw/zinc/04/83/22/464048322.db2.gz PEQRQCWEYYSANH-HUUCEWRRSA-N 1 0 349.434 2.364 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000269865304 464115774 /nfs/dbraw/zinc/11/57/74/464115774.db2.gz XAWWPLVNOKQLOM-XBFCOCLRSA-N 1 0 335.404 2.466 20 5 EEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000591040952 468398201 /nfs/dbraw/zinc/39/82/01/468398201.db2.gz KJUCNTCPMZGVPL-WBMJQRKESA-N 1 0 349.387 2.043 20 5 EEBDRO CN(CC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000237068511 464259978 /nfs/dbraw/zinc/25/99/78/464259978.db2.gz HJMVXBVQAIODIF-AWEZNQCLSA-N 1 0 334.420 2.055 20 5 EEBDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686435 464308729 /nfs/dbraw/zinc/30/87/29/464308729.db2.gz BCALWLAPJWBJKS-QGZVFWFLSA-N 1 0 335.404 2.140 20 5 EEBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(C[NH+](C)C)c1 ZINC000180565965 464337836 /nfs/dbraw/zinc/33/78/36/464337836.db2.gz VDCLOEIVOAXVDB-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)C1 ZINC000292865774 464369898 /nfs/dbraw/zinc/36/98/98/464369898.db2.gz SLVWIQHRXOEYEX-GOSISDBHSA-N 1 0 344.415 2.402 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264608179 464392709 /nfs/dbraw/zinc/39/27/09/464392709.db2.gz MSHRYNOFCIBZCN-DGCLKSJQSA-N 1 0 334.294 2.361 20 5 EEBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264616051 464395863 /nfs/dbraw/zinc/39/58/63/464395863.db2.gz QPRAOMYDQBSEEE-OAHLLOKOSA-N 1 0 332.404 2.365 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](CO)CC3)o2)cc1 ZINC000293277269 464397808 /nfs/dbraw/zinc/39/78/08/464397808.db2.gz VFPNPCZCCFWYQS-LBPRGKRZSA-N 1 0 332.360 2.239 20 5 EEBDRO C[N@H+]1CC=C(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271914969 464411837 /nfs/dbraw/zinc/41/18/37/464411837.db2.gz QZONAKMKHDYSIZ-UHFFFAOYSA-N 1 0 338.795 2.309 20 5 EEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264675800 464418527 /nfs/dbraw/zinc/41/85/27/464418527.db2.gz NLMYFHMRKIGZDY-RYUDHWBXSA-N 1 0 337.424 2.121 20 5 EEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285171909 464474621 /nfs/dbraw/zinc/47/46/21/464474621.db2.gz CPWXHTONZNXSHW-UHFFFAOYSA-N 1 0 331.376 2.042 20 5 EEBDRO COC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000272225423 464525443 /nfs/dbraw/zinc/52/54/43/464525443.db2.gz SVHAMYOINBTEFD-DOMZBBRYSA-N 1 0 333.388 2.220 20 5 EEBDRO CN(CCn1ccc([N+](=O)[O-])n1)Cc1nc(-c2cccs2)no1 ZINC000285401300 464550049 /nfs/dbraw/zinc/55/00/49/464550049.db2.gz UALXRMNVFXABOK-UHFFFAOYSA-N 1 0 334.361 2.035 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000272306605 464556704 /nfs/dbraw/zinc/55/67/04/464556704.db2.gz REPHJEIZJJKLPW-ZIAGYGMSSA-N 1 0 346.431 2.394 20 5 EEBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294667507 464569295 /nfs/dbraw/zinc/56/92/95/464569295.db2.gz SITBXRAGGPEIJA-UHFFFAOYSA-N 1 0 339.367 2.299 20 5 EEBDRO Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000175556022 464573865 /nfs/dbraw/zinc/57/38/65/464573865.db2.gz SDRIQWRVLDJJLZ-UHFFFAOYSA-N 1 0 348.403 2.232 20 5 EEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265567572 464603488 /nfs/dbraw/zinc/60/34/88/464603488.db2.gz UKMFILOBQDKPAG-LBPRGKRZSA-N 1 0 341.843 2.329 20 5 EEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000294830658 464619095 /nfs/dbraw/zinc/61/90/95/464619095.db2.gz DGJWMSCVUFRARV-AWEZNQCLSA-N 1 0 343.387 2.151 20 5 EEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272540836 464652450 /nfs/dbraw/zinc/65/24/50/464652450.db2.gz BYOMHADDWNGOEY-SWLSCSKDSA-N 1 0 335.429 2.240 20 5 EEBDRO COC(=O)Cc1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000295090995 464701782 /nfs/dbraw/zinc/70/17/82/464701782.db2.gz SDXNSOYJTYQLTJ-UHFFFAOYSA-N 1 0 335.404 2.231 20 5 EEBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000276272730 464872609 /nfs/dbraw/zinc/87/26/09/464872609.db2.gz VFTCUOFJKLXZCM-UHFFFAOYSA-N 1 0 326.828 2.322 20 5 EEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cscc2Br)c1 ZINC000286376855 464897383 /nfs/dbraw/zinc/89/73/83/464897383.db2.gz GMGKGYXXMLEWQY-UHFFFAOYSA-N 1 0 331.195 2.405 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276355909 464902179 /nfs/dbraw/zinc/90/21/79/464902179.db2.gz VBEXWWWSPJQKRM-NWDGAFQWSA-N 1 0 341.433 2.283 20 5 EEBDRO C[N@H+](CCCO)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267032642 464909457 /nfs/dbraw/zinc/90/94/57/464909457.db2.gz MXXDDWDCXOKWFI-UHFFFAOYSA-N 1 0 325.384 2.013 20 5 EEBDRO CCc1nn(C)c(N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286420675 464911576 /nfs/dbraw/zinc/91/15/76/464911576.db2.gz QZZQXPMHTYBVEG-UHFFFAOYSA-N 1 0 329.404 2.211 20 5 EEBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000599985341 468428405 /nfs/dbraw/zinc/42/84/05/468428405.db2.gz CLJUVTIJVNGFJO-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177314833 464984613 /nfs/dbraw/zinc/98/46/13/464984613.db2.gz UOJVTJNMNCNWHC-ZBFHGGJFSA-N 1 0 346.431 2.400 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000192823335 465005203 /nfs/dbraw/zinc/00/52/03/465005203.db2.gz GCSYFXNILWGFAO-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000339520737 465318551 /nfs/dbraw/zinc/31/85/51/465318551.db2.gz CKCORRGYWNWUKK-UHFFFAOYSA-N 1 0 348.378 2.349 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc(F)c2)c1 ZINC000554613740 468431844 /nfs/dbraw/zinc/43/18/44/468431844.db2.gz ZFXKGSCOCKCNIW-MRXNPFEDSA-N 1 0 334.347 2.306 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc(F)c2)c1 ZINC000554613739 468432118 /nfs/dbraw/zinc/43/21/18/468432118.db2.gz ZFXKGSCOCKCNIW-INIZCTEOSA-N 1 0 334.347 2.306 20 5 EEBDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000298545320 465428419 /nfs/dbraw/zinc/42/84/19/465428419.db2.gz NOAZCAIGMVTMPN-ZDUSSCGKSA-N 1 0 335.404 2.406 20 5 EEBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000348141608 465447092 /nfs/dbraw/zinc/44/70/92/465447092.db2.gz ZBVULTVJLAVEHK-QWHCGFSZSA-N 1 0 349.387 2.298 20 5 EEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000337711648 465532867 /nfs/dbraw/zinc/53/28/67/465532867.db2.gz FEEXKSXSWMPLRX-UHFFFAOYSA-N 1 0 349.435 2.104 20 5 EEBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298892180 465535406 /nfs/dbraw/zinc/53/54/06/465535406.db2.gz RNQYVQDUJLVUIR-UHFFFAOYSA-N 1 0 328.372 2.449 20 5 EEBDRO COc1cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000591282856 468438036 /nfs/dbraw/zinc/43/80/36/468438036.db2.gz UXWQPRUDEMJLIT-ZDUSSCGKSA-N 1 0 335.404 2.376 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000360886778 465623952 /nfs/dbraw/zinc/62/39/52/465623952.db2.gz GDDLAFSMQIBZLD-KURKYZTESA-N 1 0 345.443 2.369 20 5 EEBDRO C[C@@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361064258 465739966 /nfs/dbraw/zinc/73/99/66/465739966.db2.gz BQSLFIOXFLGCBW-RISCZKNCSA-N 1 0 332.404 2.382 20 5 EEBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000361093686 465760916 /nfs/dbraw/zinc/76/09/16/465760916.db2.gz BSQDLDJTSPOQKG-ZBFHGGJFSA-N 1 0 344.415 2.287 20 5 EEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000330706737 465770981 /nfs/dbraw/zinc/77/09/81/465770981.db2.gz LZHSFYIPEAVQST-GXTWGEPZSA-N 1 0 325.384 2.011 20 5 EEBDRO CC1([NH3+])CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591352797 468455968 /nfs/dbraw/zinc/45/59/68/468455968.db2.gz SXWMPGJYEZCSEC-UHFFFAOYSA-N 1 0 334.420 2.440 20 5 EEBDRO CC[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000591354741 468456225 /nfs/dbraw/zinc/45/62/25/468456225.db2.gz UOGWMMVCNYQOLY-VBNZEHGJSA-N 1 0 332.404 2.439 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000371599019 465895705 /nfs/dbraw/zinc/89/57/05/465895705.db2.gz ZHPNCPKKAYILMX-GFCCVEGCSA-N 1 0 333.388 2.350 20 5 EEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000366725686 465898639 /nfs/dbraw/zinc/89/86/39/465898639.db2.gz UCLDXHKZNQLMPA-AWEZNQCLSA-N 1 0 349.435 2.164 20 5 EEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301114805 465903854 /nfs/dbraw/zinc/90/38/54/465903854.db2.gz PDMKUSHVMJWOIS-CHWSQXEVSA-N 1 0 334.420 2.487 20 5 EEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338287601 465985163 /nfs/dbraw/zinc/98/51/63/465985163.db2.gz BRXGYOFJXQEQOX-NEPJUHHUSA-N 1 0 337.376 2.019 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000331302731 466020288 /nfs/dbraw/zinc/02/02/88/466020288.db2.gz XNQKZRIFIOUSCR-LBPRGKRZSA-N 1 0 343.449 2.158 20 5 EEBDRO COc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346249697 466027698 /nfs/dbraw/zinc/02/76/98/466027698.db2.gz XKRKEQOOVYECLO-VNHYZAJKSA-N 1 0 347.415 2.406 20 5 EEBDRO O=C(CC[N@@H+]1CCOCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371888523 466052199 /nfs/dbraw/zinc/05/21/99/466052199.db2.gz PNCKFURCYGRQAY-UHFFFAOYSA-N 1 0 333.388 2.426 20 5 EEBDRO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302551077 466153753 /nfs/dbraw/zinc/15/37/53/466153753.db2.gz QJDSMVMBKZQJEV-UHFFFAOYSA-N 1 0 344.415 2.344 20 5 EEBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302728958 466173129 /nfs/dbraw/zinc/17/31/29/466173129.db2.gz UNHYHVOACYZEJE-UHFFFAOYSA-N 1 0 341.433 2.285 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000304337438 466285123 /nfs/dbraw/zinc/28/51/23/466285123.db2.gz XHKNKNPGQGYICI-FUHWJXTLSA-N 1 0 344.415 2.422 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338787451 466376846 /nfs/dbraw/zinc/37/68/46/466376846.db2.gz RKJAKOLKORYWIN-BETUJISGSA-N 1 0 334.420 2.262 20 5 EEBDRO CN(CCC[NH3+])C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591678947 468501035 /nfs/dbraw/zinc/50/10/35/468501035.db2.gz KNQQZVBAXANCRV-UHFFFAOYSA-N 1 0 348.325 2.223 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000320588552 466611158 /nfs/dbraw/zinc/61/11/58/466611158.db2.gz VJGWXOWHWBRFHT-SFYZADRCSA-N 1 0 330.182 2.213 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000322295101 466630998 /nfs/dbraw/zinc/63/09/98/466630998.db2.gz TWIMDMKYPLIWKF-VHSXEESVSA-N 1 0 325.315 2.230 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CC1 ZINC000416300426 466729093 /nfs/dbraw/zinc/72/90/93/466729093.db2.gz ISJAZPQCJAFILF-JTQLQIEISA-N 1 0 341.795 2.226 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000365256461 466759799 /nfs/dbraw/zinc/75/97/99/466759799.db2.gz OSJPSKUBDFWBHG-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417213467 466803708 /nfs/dbraw/zinc/80/37/08/466803708.db2.gz CGOWIHKJELPSKK-UHFFFAOYSA-N 1 0 342.399 2.308 20 5 EEBDRO CCOC(=O)c1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000423706296 466809441 /nfs/dbraw/zinc/80/94/41/466809441.db2.gz QQAPGLUTRBOMJJ-AWEZNQCLSA-N 1 0 349.387 2.034 20 5 EEBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411614714 466856196 /nfs/dbraw/zinc/85/61/96/466856196.db2.gz LDLMOTZXPOWZOB-WWGRRREGSA-N 1 0 335.404 2.405 20 5 EEBDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411621523 466857672 /nfs/dbraw/zinc/85/76/72/466857672.db2.gz OEONVNNSGPJRCN-GFCCVEGCSA-N 1 0 349.387 2.339 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000373794530 466921785 /nfs/dbraw/zinc/92/17/85/466921785.db2.gz HQMXHWTWHZYGOT-OCCSQVGLSA-N 1 0 333.388 2.302 20 5 EEBDRO COC(=O)[C@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000411908955 466931105 /nfs/dbraw/zinc/93/11/05/466931105.db2.gz FDAUJLBUTMPGLY-UONOGXRCSA-N 1 0 335.404 2.001 20 5 EEBDRO CC[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417858216 466958148 /nfs/dbraw/zinc/95/81/48/466958148.db2.gz UVLPMKFDWNRPJC-YCPHGPKFSA-N 1 0 332.404 2.297 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424046797 466962502 /nfs/dbraw/zinc/96/25/02/466962502.db2.gz WGHRVIFVIYRPHZ-MRXNPFEDSA-N 1 0 347.415 2.454 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424049981 466963194 /nfs/dbraw/zinc/96/31/94/466963194.db2.gz AMZLZANKPOXJQA-MGPQQGTHSA-N 1 0 335.404 2.196 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417942524 466996140 /nfs/dbraw/zinc/99/61/40/466996140.db2.gz OEVOQUGVPAAPCQ-UHFFFAOYSA-N 1 0 340.383 2.240 20 5 EEBDRO COC(=O)[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000412085681 467001228 /nfs/dbraw/zinc/00/12/28/467001228.db2.gz ZLEPOHVSPGVHKH-QGZVFWFLSA-N 1 0 349.387 2.199 20 5 EEBDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000424205982 467003322 /nfs/dbraw/zinc/00/33/22/467003322.db2.gz NPOSBVJCLOBRBV-CQSZACIVSA-N 1 0 343.339 2.092 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417998335 467016969 /nfs/dbraw/zinc/01/69/69/467016969.db2.gz UUKDUGGZDKCQCN-CHWSQXEVSA-N 1 0 340.811 2.360 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418091257 467042830 /nfs/dbraw/zinc/04/28/30/467042830.db2.gz PFONDKBRAKWQIG-LLVKDONJSA-N 1 0 346.309 2.117 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1F ZINC000412375450 467076742 /nfs/dbraw/zinc/07/67/42/467076742.db2.gz VNEXSKIRGPCTFV-LLVKDONJSA-N 1 0 341.383 2.130 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418355654 467098221 /nfs/dbraw/zinc/09/82/21/467098221.db2.gz 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CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000452018438 467305749 /nfs/dbraw/zinc/30/57/49/467305749.db2.gz QWBYWPWSEDVYBC-BZUAXINKSA-N 1 0 333.388 2.247 20 5 EEBDRO COC[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452034661 467310065 /nfs/dbraw/zinc/31/00/65/467310065.db2.gz FBIDFLDAJOSQFF-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](CC2CC2)CC1 ZINC000429210266 467312695 /nfs/dbraw/zinc/31/26/95/467312695.db2.gz XHFKNKYGCYAVQO-UHFFFAOYSA-N 1 0 333.388 2.222 20 5 EEBDRO C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000420176673 467316585 /nfs/dbraw/zinc/31/65/85/467316585.db2.gz QOZBCRVWZHTVPC-CYBMUJFWSA-N 1 0 328.372 2.367 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000420324219 467355833 /nfs/dbraw/zinc/35/58/33/467355833.db2.gz HCEFEIDERQRRKL-CYBMUJFWSA-N 1 0 339.823 2.436 20 5 EEBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420368455 467381105 /nfs/dbraw/zinc/38/11/05/467381105.db2.gz ARZUUSZBIMTEEP-KRWDZBQOSA-N 1 0 342.399 2.474 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000430211760 467409171 /nfs/dbraw/zinc/40/91/71/467409171.db2.gz YRYGJHQKWMOFQD-OAHLLOKOSA-N 1 0 347.415 2.342 20 5 EEBDRO Cc1c(NC(=O)CCN(C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435243889 467454194 /nfs/dbraw/zinc/45/41/94/467454194.db2.gz AYADIZNMYGCIAQ-AWEZNQCLSA-N 1 0 332.404 2.058 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430648417 467455046 /nfs/dbraw/zinc/45/50/46/467455046.db2.gz QZDRYTHBDVNANC-BBRMVZONSA-N 1 0 334.420 2.434 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000431047716 467490941 /nfs/dbraw/zinc/49/09/41/467490941.db2.gz YGBIRRDMJXRIMD-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448977095 467609991 /nfs/dbraw/zinc/60/99/91/467609991.db2.gz QNSPKLLQADVTGK-CYBMUJFWSA-N 1 0 345.403 2.241 20 5 EEBDRO Cc1nn(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000496951152 467750790 /nfs/dbraw/zinc/75/07/90/467750790.db2.gz SUMYUQVSAIWGEM-RYUDHWBXSA-N 1 0 339.396 2.045 20 5 EEBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458195184 467787480 /nfs/dbraw/zinc/78/74/80/467787480.db2.gz LJZGSMNANSOUHG-UHFFFAOYSA-N 1 0 347.375 2.127 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000450284165 467817122 /nfs/dbraw/zinc/81/71/22/467817122.db2.gz BPAXMZJDARUPCY-AWEZNQCLSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000450556197 467869644 /nfs/dbraw/zinc/86/96/44/467869644.db2.gz UUZHEMUHYMEZQQ-IUODEOHRSA-N 1 0 333.388 2.157 20 5 EEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccncc21 ZINC000450797942 467910196 /nfs/dbraw/zinc/91/01/96/467910196.db2.gz YDOXETLRQZVHNI-BETUJISGSA-N 1 0 328.372 2.418 20 5 EEBDRO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637014 467999548 /nfs/dbraw/zinc/99/95/48/467999548.db2.gz ARIXHBOUNIPANH-RDJZCZTQSA-N 1 0 332.404 2.153 20 5 EEBDRO CC(C)(O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000530700527 468002885 /nfs/dbraw/zinc/00/28/85/468002885.db2.gz CBABLYTWXNOVRA-UHFFFAOYSA-N 1 0 338.404 2.226 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000516397314 468026711 /nfs/dbraw/zinc/02/67/11/468026711.db2.gz PSQXJNLGOMFMAP-ZIAGYGMSSA-N 1 0 336.436 2.421 20 5 EEBDRO C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000589837495 468187367 /nfs/dbraw/zinc/18/73/67/468187367.db2.gz QMUIIFFQYHAUSQ-SNVBAGLBSA-N 1 0 341.358 2.262 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000490206106 468201499 /nfs/dbraw/zinc/20/14/99/468201499.db2.gz GOQJPXVRBOJLDD-QGZVFWFLSA-N 1 0 332.404 2.140 20 5 EEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 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344.209 2.427 20 5 EEBDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594992729 468740441 /nfs/dbraw/zinc/74/04/41/468740441.db2.gz JTGHWQFJOCZIEN-CYBMUJFWSA-N 1 0 335.404 2.340 20 5 EEBDRO COc1cc(Cl)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000601111351 468744814 /nfs/dbraw/zinc/74/48/14/468744814.db2.gz OEDXMVXVRYYYSU-UHFFFAOYSA-N 1 0 340.767 2.252 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595120834 468763670 /nfs/dbraw/zinc/76/36/70/468763670.db2.gz XZGPDUKYPFZPBA-UHFFFAOYSA-N 1 0 347.824 2.106 20 5 EEBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829732 468799037 /nfs/dbraw/zinc/79/90/37/468799037.db2.gz XBCQQSXLZRVQLG-CQSZACIVSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598260297 468809397 /nfs/dbraw/zinc/80/93/97/468809397.db2.gz ACMUACLJUFELGU-AWEZNQCLSA-N 1 0 335.404 2.210 20 5 EEBDRO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593059981 468856606 /nfs/dbraw/zinc/85/66/06/468856606.db2.gz UNWSLRQEMLKULA-KBPBESRZSA-N 1 0 338.404 2.224 20 5 EEBDRO COc1cc(C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000593110728 468874943 /nfs/dbraw/zinc/87/49/43/468874943.db2.gz ZTFHDNMIFZXXEZ-SECBINFHSA-N 1 0 334.319 2.408 20 5 EEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000595523084 468887610 /nfs/dbraw/zinc/88/76/10/468887610.db2.gz HMEXADMZYWZWNT-HZPDHXFCSA-N 1 0 347.463 2.090 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537237 468904958 /nfs/dbraw/zinc/90/49/58/468904958.db2.gz CSRPQHOOISLWAO-UHFFFAOYSA-N 1 0 331.416 2.376 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598577082 468920029 /nfs/dbraw/zinc/92/00/29/468920029.db2.gz VBOSWSUPCQPRBY-INIZCTEOSA-N 1 0 334.420 2.243 20 5 EEBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598590868 468925136 /nfs/dbraw/zinc/92/51/36/468925136.db2.gz 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C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000587210557 469085950 /nfs/dbraw/zinc/08/59/50/469085950.db2.gz PNDWMJOJRHQXRZ-RYUDHWBXSA-N 1 0 345.403 2.776 20 5 EEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971463 469120256 /nfs/dbraw/zinc/12/02/56/469120256.db2.gz BXDGQZZSXMDFFP-RTXFEEFZSA-N 1 0 330.344 2.284 20 5 EEBDRO CC(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCCC1 ZINC000596070864 469139987 /nfs/dbraw/zinc/13/99/87/469139987.db2.gz UATIZNDSGCYNSI-HNNXBMFYSA-N 1 0 345.403 2.776 20 5 EEBDRO Cc1cc(C)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000573676942 469184519 /nfs/dbraw/zinc/18/45/19/469184519.db2.gz OXJPTERDJXQSHN-UHFFFAOYSA-N 1 0 349.412 2.170 20 5 EEBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000573681863 469185723 /nfs/dbraw/zinc/18/57/23/469185723.db2.gz ADLSZZCVNCAYAC-OAHLLOKOSA-N 1 0 334.423 2.021 20 5 EEBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000589102042 469194579 /nfs/dbraw/zinc/19/45/79/469194579.db2.gz UZNBDFRVXICVTK-HNNXBMFYSA-N 1 0 343.383 2.160 20 5 EEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190134 469210155 /nfs/dbraw/zinc/21/01/55/469210155.db2.gz PHVMLQGTGUIZFA-UKRRQHHQSA-N 1 0 347.415 2.425 20 5 EEBDRO Cn1cc(C[N@H+](C)C[C@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589198257 469212064 /nfs/dbraw/zinc/21/20/64/469212064.db2.gz XKUUBECTZSYHQQ-INIZCTEOSA-N 1 0 330.388 2.198 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]([NH+]3CCCCC3)C1)OCCO2 ZINC000611268566 469214416 /nfs/dbraw/zinc/21/44/16/469214416.db2.gz PLIRVLIIKDYKSC-OAHLLOKOSA-N 1 0 347.415 2.426 20 5 EEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000611567470 469281970 /nfs/dbraw/zinc/28/19/70/469281970.db2.gz HWGNSWONZIDMLX-UHFFFAOYSA-N 1 0 332.360 2.351 20 5 EEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602526256 469349615 /nfs/dbraw/zinc/34/96/15/469349615.db2.gz GLPJNHTUSALHJJ-QGZVFWFLSA-N 1 0 346.431 2.265 20 5 EEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000602542089 469354848 /nfs/dbraw/zinc/35/48/48/469354848.db2.gz SQCUNSKRSLYJPK-KWQFWETISA-N 1 0 349.284 2.333 20 5 EEBDRO CNc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000604185802 469461294 /nfs/dbraw/zinc/46/12/94/469461294.db2.gz OLYAEZFROVCPKM-ZDUSSCGKSA-N 1 0 334.420 2.488 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000619531686 469633202 /nfs/dbraw/zinc/63/32/02/469633202.db2.gz WTINNJYERJFWAA-UHFFFAOYSA-N 1 0 328.372 2.321 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905844 469885876 /nfs/dbraw/zinc/88/58/76/469885876.db2.gz KVJYDJIDUPHEOW-MRXNPFEDSA-N 1 0 342.399 2.246 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609135508 469894424 /nfs/dbraw/zinc/89/44/24/469894424.db2.gz OASMKXJCGIETOT-NSHDSACASA-N 1 0 331.376 2.074 20 5 EEBDRO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000609620920 469950393 /nfs/dbraw/zinc/95/03/93/469950393.db2.gz CUYMQUUDYRWGJD-CQSZACIVSA-N 1 0 335.404 2.354 20 5 EEBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000609766296 469959700 /nfs/dbraw/zinc/95/97/00/469959700.db2.gz HBWVHNYMYPBFNB-LBPRGKRZSA-N 1 0 335.360 2.004 20 5 EEBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595830631 485609652 /nfs/dbraw/zinc/60/96/52/485609652.db2.gz GKOGOQMYLSOJEB-HNNXBMFYSA-N 1 0 347.415 2.308 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC000571671433 490646073 /nfs/dbraw/zinc/64/60/73/490646073.db2.gz HRVPHIFWOUZJLR-KRWDZBQOSA-N 1 0 330.388 2.210 20 5 EEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189741371 528074567 /nfs/dbraw/zinc/07/45/67/528074567.db2.gz DYGHJNPGMONGMB-AWEZNQCLSA-N 1 0 348.447 2.084 20 5 EEBDRO CCOC(=O)CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132326535 528694535 /nfs/dbraw/zinc/69/45/35/528694535.db2.gz AAYAZSNTIQAYLO-UHFFFAOYSA-N 1 0 335.404 2.450 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000423983182 536510010 /nfs/dbraw/zinc/51/00/10/536510010.db2.gz VPISCCTWVVTMBF-LSDHHAIUSA-N 1 0 341.367 2.089 20 5 EEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459773479 536772800 /nfs/dbraw/zinc/77/28/00/536772800.db2.gz STTCOJXQODXLIN-LSDHHAIUSA-N 1 0 349.387 2.089 20 5 EEBDRO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000738054896 576320173 /nfs/dbraw/zinc/32/01/73/576320173.db2.gz QKQJDBOIMCMWQA-UHFFFAOYSA-N 1 0 332.360 2.195 20 5 EEBDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000731678829 577116023 /nfs/dbraw/zinc/11/60/23/577116023.db2.gz RCNPJVMGQQYJPE-HNNXBMFYSA-N 1 0 332.356 2.435 20 5 EEBDRO COc1ccccc1OCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776270735 577456143 /nfs/dbraw/zinc/45/61/43/577456143.db2.gz GCYCYMWSKNYIBZ-OAHLLOKOSA-N 1 0 332.356 2.305 20 5 EEBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580284 577463082 /nfs/dbraw/zinc/46/30/82/577463082.db2.gz SFJJGJDLNGBKPN-NVXWUHKLSA-N 1 0 349.431 2.257 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586010 577463304 /nfs/dbraw/zinc/46/33/04/577463304.db2.gz HHZZFHXWDGDWMU-LSDHHAIUSA-N 1 0 336.388 2.434 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C ZINC000765637138 577504281 /nfs/dbraw/zinc/50/42/81/577504281.db2.gz SWAOJSDTNQMZFL-VXGBXAGGSA-N 1 0 332.404 2.398 20 5 EEBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770594035 577599542 /nfs/dbraw/zinc/59/95/42/577599542.db2.gz SIGIZKTYEVWHOG-UHFFFAOYSA-N 1 0 348.403 2.222 20 5 EEBDRO COCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761523126 577685383 /nfs/dbraw/zinc/68/53/83/577685383.db2.gz RXXPYIUDQKISNN-UHFFFAOYSA-N 1 0 327.812 2.449 20 5 EEBDRO Cc1nn(C[N@H+]2CC[C@@H](c3nccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791764 577831592 /nfs/dbraw/zinc/83/15/92/577831592.db2.gz SFVSLARTPJNJRT-CYBMUJFWSA-N 1 0 340.387 2.433 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000749638870 577979366 /nfs/dbraw/zinc/97/93/66/577979366.db2.gz LZHXMKBOCLDCBI-HKUYNNGSSA-N 1 0 341.411 2.492 20 5 EEBDRO Cc1nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749938408 577984119 /nfs/dbraw/zinc/98/41/19/577984119.db2.gz KQZKUFBGFIIPFE-LBPRGKRZSA-N 1 0 331.376 2.106 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001021773714 676433571 /nfs/dbraw/zinc/43/35/71/676433571.db2.gz VETPIPDRVQYJMK-OKILXGFUSA-N 1 0 326.356 2.040 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891461842 676666211 /nfs/dbraw/zinc/66/62/11/676666211.db2.gz XBVVOPLHFCWEQU-LBPRGKRZSA-N 1 0 330.388 2.343 20 5 EEBDRO O=C(CC1=CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022659260 676917143 /nfs/dbraw/zinc/91/71/43/676917143.db2.gz WLYQHSQJSVTNSY-IYBDPMFKSA-N 1 0 345.399 2.068 20 5 EEBDRO COc1c(O)ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000892098546 677998184 /nfs/dbraw/zinc/99/81/84/677998184.db2.gz GVUVKDGQRQFQFB-CYBMUJFWSA-N 1 0 335.404 2.227 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc(-c3cnccn3)no2)ccc1-n1ccnc1 ZINC000177011842 679795378 /nfs/dbraw/zinc/79/53/78/679795378.db2.gz CKQAFZYWBMRHBI-UHFFFAOYSA-N 1 0 335.283 2.288 20 5 EEBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000927696481 681475953 /nfs/dbraw/zinc/47/59/53/681475953.db2.gz WUPPMYMIPLONPK-UHFFFAOYSA-N 1 0 332.335 2.054 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000178748947 681479818 /nfs/dbraw/zinc/47/98/18/681479818.db2.gz XJPPKHZJQKVPRK-LLVKDONJSA-N 1 0 343.836 2.302 20 5 EEBDRO Cc1c(Br)c(N2CC[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000261867062 681886038 /nfs/dbraw/zinc/88/60/38/681886038.db2.gz YNZDAQJKSWDEBS-CYBMUJFWSA-N 1 0 341.209 2.251 20 5 EEBDRO [NH3+]C1(c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)CCC1 ZINC000261896415 682091560 /nfs/dbraw/zinc/09/15/60/682091560.db2.gz YAJJKJQDABLOIA-UHFFFAOYSA-N 1 0 326.316 2.168 20 5 EEBDRO COc1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1[N+](=O)[O-] ZINC000892715044 682826936 /nfs/dbraw/zinc/82/69/36/682826936.db2.gz VDUMKSTUHKTZRR-QWHCGFSZSA-N 1 0 340.351 2.327 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1ccoc1 ZINC001025679619 683234784 /nfs/dbraw/zinc/23/47/84/683234784.db2.gz KZQSJMKXLHPPOH-ZSHCYNCHSA-N 1 0 327.340 2.048 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1(C2CC2)CC1 ZINC001025815870 683303975 /nfs/dbraw/zinc/30/39/75/683303975.db2.gz UHSMQATZCXIJLM-FVQHAEBGSA-N 1 0 341.411 2.331 20 5 EEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc4nonc4c3[N+](=O)[O-])C2)CC1 ZINC000892983292 683462463 /nfs/dbraw/zinc/46/24/63/683462463.db2.gz IJBDKLDIRGJFHM-GFCCVEGCSA-N 1 0 331.376 2.299 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccn1 ZINC001019933004 683503869 /nfs/dbraw/zinc/50/38/69/683503869.db2.gz VETPIPDRVQYJMK-HDJSIYSDSA-N 1 0 326.356 2.040 20 5 EEBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262151559 684097651 /nfs/dbraw/zinc/09/76/51/684097651.db2.gz ZWVQFSGLAXEBBO-AWEZNQCLSA-N 1 0 335.795 2.128 20 5 EEBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000893262233 684363818 /nfs/dbraw/zinc/36/38/18/684363818.db2.gz IVLLLLFXODNLHK-GUYCJALGSA-N 1 0 336.388 2.478 20 5 EEBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895245609 684372229 /nfs/dbraw/zinc/37/22/29/684372229.db2.gz GVYYFUCJRCWUQB-MLGOLLRUSA-N 1 0 329.404 2.189 20 5 EEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985292568 686244610 /nfs/dbraw/zinc/24/46/10/686244610.db2.gz YFAGZZOPFJSJOS-UHFFFAOYSA-N 1 0 349.416 2.116 20 5 EEBDRO C[N@H+](CCC1=CCCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426996 686674642 /nfs/dbraw/zinc/67/46/42/686674642.db2.gz WEBWFKPIJLRHFO-IAGOWNOFSA-N 1 0 335.448 2.465 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000343610673 691083906 /nfs/dbraw/zinc/08/39/06/691083906.db2.gz DKOYGWLQWBWJQL-UHFFFAOYSA-N 1 0 345.403 2.201 20 5 EEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843818629 1188620051 /nfs/dbraw/zinc/62/00/51/1188620051.db2.gz PJIJKKCHHKGIBQ-GFCCVEGCSA-N 1 0 341.383 2.129 20 5 EEBDRO CCSc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000905410735 1189712255 /nfs/dbraw/zinc/71/22/55/1189712255.db2.gz YWXGWYPWAPCUEJ-AWEZNQCLSA-N 1 0 336.417 2.054 20 5 EEBDRO Cc1ccc(F)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005381371 1195313826 /nfs/dbraw/zinc/31/38/26/1195313826.db2.gz JSCGLVBWTOPVEH-NVXWUHKLSA-N 1 0 349.406 2.222 20 5 EEBDRO COCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001128846221 1195800261 /nfs/dbraw/zinc/80/02/61/1195800261.db2.gz LWWSXWVZRVJYHG-UHFFFAOYSA-N 1 0 349.431 2.398 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccon1 ZINC001034597698 1196427320 /nfs/dbraw/zinc/42/73/20/1196427320.db2.gz KJJSLLSUPWQYEI-HDJSIYSDSA-N 1 0 344.371 2.414 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ncc[nH]1 ZINC001034644297 1196465387 /nfs/dbraw/zinc/46/53/87/1196465387.db2.gz MIMGRKGHDFJQNS-HDJSIYSDSA-N 1 0 343.387 2.149 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000872028008 1198030002 /nfs/dbraw/zinc/03/00/02/1198030002.db2.gz OYCGJMMMXVMNFT-JSGCOSHPSA-N 1 0 339.461 2.424 20 5 EEBDRO O=C(Cc1ccncc1Cl)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133853202 1199109317 /nfs/dbraw/zinc/10/93/17/1199109317.db2.gz DZAYKXTVTOHVLK-UHFFFAOYSA-N 1 0 348.790 2.092 20 5 EEBDRO CC(F)(F)C1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133952478 1199189422 /nfs/dbraw/zinc/18/94/22/1199189422.db2.gz DLTIWDCGUXTBSC-UHFFFAOYSA-N 1 0 327.331 2.236 20 5 EEBDRO COc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC001134181431 1199373419 /nfs/dbraw/zinc/37/34/19/1199373419.db2.gz UJDMTQKVIUDIFP-UHFFFAOYSA-N 1 0 347.346 2.262 20 5 EEBDRO O=C(CNc1cccc(F)c1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000814262814 1199390393 /nfs/dbraw/zinc/39/03/93/1199390393.db2.gz YTUAPDPRLZODDJ-UHFFFAOYSA-N 1 0 338.383 2.138 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000126067792 1199693714 /nfs/dbraw/zinc/69/37/14/1199693714.db2.gz UXCBJQVIWAPVBF-UHFFFAOYSA-N 1 0 346.387 2.282 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000877902590 1200155451 /nfs/dbraw/zinc/15/54/51/1200155451.db2.gz RYTLCCJQQZJOKI-OAHLLOKOSA-N 1 0 348.403 2.360 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812343039 1200671112 /nfs/dbraw/zinc/67/11/12/1200671112.db2.gz OOOAOBOHTMDUDN-MELADBBJSA-N 1 0 349.456 2.486 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870875033 1200925457 /nfs/dbraw/zinc/92/54/57/1200925457.db2.gz TXODRNPQMAZHNJ-UHFFFAOYSA-N 1 0 346.412 2.448 20 5 EEBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000866350809 1201498314 /nfs/dbraw/zinc/49/83/14/1201498314.db2.gz CNVABAKUGJCYBX-DIOULYMOSA-N 1 0 326.368 2.449 20 5 EEBDRO C[NH2+]CCOc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000884154077 1202243565 /nfs/dbraw/zinc/24/35/65/1202243565.db2.gz YHKDCIXTRLXVAU-UHFFFAOYSA-N 1 0 343.383 2.166 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885969477 1202460469 /nfs/dbraw/zinc/46/04/69/1202460469.db2.gz SZPOMJYVIGQTOT-AWEZNQCLSA-N 1 0 336.388 2.421 20 5 EEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889835092 1204722831 /nfs/dbraw/zinc/72/28/31/1204722831.db2.gz GHFBVNKMVUYMJW-UHFFFAOYSA-N 1 0 332.404 2.140 20 5 EEBDRO O=[N+]([O-])CCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000929248157 1206459291 /nfs/dbraw/zinc/45/92/91/1206459291.db2.gz NNJAHWKPADMYPM-UHFFFAOYSA-N 1 0 331.338 2.490 20 5 EEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000931044835 1206602548 /nfs/dbraw/zinc/60/25/48/1206602548.db2.gz BIUVEYPCGPDNIG-SMDDNHRTSA-N 1 0 331.376 2.169 20 5 EEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000931044830 1206602576 /nfs/dbraw/zinc/60/25/76/1206602576.db2.gz BIUVEYPCGPDNIG-FZMZJTMJSA-N 1 0 331.376 2.169 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778253033 1207981536 /nfs/dbraw/zinc/98/15/36/1207981536.db2.gz NSFKFRNKHCTEDL-JTQLQIEISA-N 1 0 349.416 2.061 20 5 EEBDRO Cc1ccc(NC2CC[NH+](CCNC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001111310289 1210113032 /nfs/dbraw/zinc/11/30/32/1210113032.db2.gz VRDYFGUWSOVNES-UHFFFAOYSA-N 1 0 346.431 2.306 20 5 EEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000194223865 1211129430 /nfs/dbraw/zinc/12/94/30/1211129430.db2.gz ZDWLRLDDZVYBBL-UHFFFAOYSA-N 1 0 348.359 2.107 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC001114798195 1215318399 /nfs/dbraw/zinc/31/83/99/1215318399.db2.gz XSVJOUCYRBTZLM-JOCQHMNTSA-N 1 0 349.435 2.027 20 5 EEBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114809122 1215472216 /nfs/dbraw/zinc/47/22/16/1215472216.db2.gz LRNCXPSBORIJPO-CTYIDZIISA-N 1 0 334.420 2.243 20 5 EEBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000133372553 1248949677 /nfs/dbraw/zinc/94/96/77/1248949677.db2.gz XKBHTZQACACFTO-OKILXGFUSA-N 1 0 344.371 2.491 20 5 EEBDRO O=C(CC[N@@H+]1CCCC[C@H]1C1OCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000800337537 1234053621 /nfs/dbraw/zinc/05/36/21/1234053621.db2.gz JITKEAOBVZCWTG-HNNXBMFYSA-N 1 0 349.387 2.151 20 5 EEBDRO CC[N@H+](C)CCC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096116825 1235023476 /nfs/dbraw/zinc/02/34/76/1235023476.db2.gz LVFSDINGILRKHY-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO CN(C(=O)CCC[NH+](C)C)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096122767 1235104404 /nfs/dbraw/zinc/10/44/04/1235104404.db2.gz AMRJGBNPIJLKGB-UHFFFAOYSA-N 1 0 348.447 2.364 20 5 EEBDRO CC(C)[C@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+](C)C ZINC000803494376 1240524248 /nfs/dbraw/zinc/52/42/48/1240524248.db2.gz DCRMQIMIYFYDGT-CQSZACIVSA-N 1 0 348.359 2.274 20 5 EEBDRO O=C(C1CC1)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050396711 1243505574 /nfs/dbraw/zinc/50/55/74/1243505574.db2.gz ABVFOQMFCIMPCA-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC001097255278 1243880537 /nfs/dbraw/zinc/88/05/37/1243880537.db2.gz ISYURUYGYPQWIZ-BETUJISGSA-N 1 0 349.435 2.027 20 5 EEBDRO CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000700688203 1276956246 /nfs/dbraw/zinc/95/62/46/1276956246.db2.gz FSCVIEPUZHICFA-SNVBAGLBSA-N 1 0 342.193 2.181 20 5 EEBDRO Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000851646734 1277700146 /nfs/dbraw/zinc/70/01/46/1277700146.db2.gz JFEGFLORZWHCDZ-SKDRFNHKSA-N 1 0 336.348 2.011 20 5 EEBDRO CCOCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199741880 1285801821 /nfs/dbraw/zinc/80/18/21/1285801821.db2.gz LTLMXUAJJCAVFE-UHFFFAOYSA-N 1 0 335.404 2.102 20 5 EEBDRO COc1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853460273 1292390418 /nfs/dbraw/zinc/39/04/18/1292390418.db2.gz FAOIAWPWUFKXDT-ZFWWWQNUSA-N 1 0 325.434 2.394 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000853502862 1292404868 /nfs/dbraw/zinc/40/48/68/1292404868.db2.gz AGUUQGJCFVPAKI-KBPBESRZSA-N 1 0 343.387 2.169 20 5 EEBDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000856796888 1293636229 /nfs/dbraw/zinc/63/62/29/1293636229.db2.gz VXCAGRYTSNYKLF-KRWDZBQOSA-N 1 0 330.388 2.274 20 5 EEBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858578107 1294158697 /nfs/dbraw/zinc/15/86/97/1294158697.db2.gz GXEWVRSTDTUWPF-KCQAQPDRSA-N 1 0 335.404 2.304 20 5 EEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[N@H+]3CCCO)sc2c1 ZINC000828421769 1314457985 /nfs/dbraw/zinc/45/79/85/1314457985.db2.gz NFFUPGPQEXHBKR-GFCCVEGCSA-N 1 0 336.417 2.463 20 5 EEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC3(C2)OCCO3)n1 ZINC000927001908 1296986427 /nfs/dbraw/zinc/98/64/27/1296986427.db2.gz QLZHCQZSWZGYDI-KBPBESRZSA-N 1 0 336.392 2.018 20 5 EEBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001218857735 1297832618 /nfs/dbraw/zinc/83/26/18/1297832618.db2.gz QIYWGVDHWMLPIC-JEOXALJRSA-N 1 0 333.395 2.303 20 5 EEBDRO COC(=O)Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001226214188 1301304432 /nfs/dbraw/zinc/30/44/32/1301304432.db2.gz KODFZGUTIFUSEM-WDNDVIMCSA-N 1 0 334.372 2.314 20 5 EEBDRO O=C(COCC1CC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226237474 1301315716 /nfs/dbraw/zinc/31/57/16/1301315716.db2.gz ZLIXXVAHXCOUCE-UHFFFAOYSA-N 1 0 347.415 2.102 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001228662574 1302368189 /nfs/dbraw/zinc/36/81/89/1302368189.db2.gz YLHUDMDTFBCYAI-LLVKDONJSA-N 1 0 330.406 2.107 20 5 EEBDRO Cc1[nH]c(=O)cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228687794 1302383235 /nfs/dbraw/zinc/38/32/35/1302383235.db2.gz BPONNHVQWCWLAJ-BETUJISGSA-N 1 0 337.376 2.026 20 5 EEBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229358003 1302744395 /nfs/dbraw/zinc/74/43/95/1302744395.db2.gz JSHCXCCBIHJCKK-HBYGRHMLSA-N 1 0 344.371 2.353 20 5 EEBDRO Cc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Br ZINC001230827853 1303485138 /nfs/dbraw/zinc/48/51/38/1303485138.db2.gz JSSQGZLIYYESBF-SNVBAGLBSA-N 1 0 349.220 2.259 20 5 EEBDRO CC[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782523427 1304078744 /nfs/dbraw/zinc/07/87/44/1304078744.db2.gz VUAFRJOVJNRQPN-LBPRGKRZSA-N 1 0 338.383 2.089 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC001234879752 1305045080 /nfs/dbraw/zinc/04/50/80/1305045080.db2.gz SGUOKLWZWGKEHF-JOCQHMNTSA-N 1 0 337.376 2.021 20 5 EEBDRO C[S@](=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000799727689 1305394134 /nfs/dbraw/zinc/39/41/34/1305394134.db2.gz UVSZFTWFOKUBHP-QHCPKHFHSA-N 1 0 337.445 2.064 20 5 EEBDRO O=[N+]([O-])c1ccc(OCc2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001116612440 1305905224 /nfs/dbraw/zinc/90/52/24/1305905224.db2.gz OSTRQVUOOXLEMR-CQSZACIVSA-N 1 0 330.344 2.366 20 5 EEBDRO COCCN([C@@H]1CC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246930025 1310469635 /nfs/dbraw/zinc/46/96/35/1310469635.db2.gz RJQCVMUVEPSONY-FUHWJXTLSA-N 1 0 333.432 2.153 20 5 EEBDRO CCc1cc(N[C@H]2C[C@@](C)([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162332323 1320825166 /nfs/dbraw/zinc/82/51/66/1320825166.db2.gz ZRSZEHZUXSLSSM-XFHMXUHZSA-N 1 0 327.388 2.328 20 5 EEBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162454891 1320860671 /nfs/dbraw/zinc/86/06/71/1320860671.db2.gz BAUXZZLOWIEYCZ-ZYHUDNBSSA-N 1 0 336.392 2.132 20 5 EEBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000841531276 1315572516 /nfs/dbraw/zinc/57/25/16/1315572516.db2.gz XPWKPQZQTMDKLT-UHFFFAOYSA-N 1 0 349.840 2.175 20 5 EEBDRO [NH3+]CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841854500 1315623911 /nfs/dbraw/zinc/62/39/11/1315623911.db2.gz BEXYBWOAABZKCT-UHFFFAOYSA-N 1 0 326.784 2.129 20 5 EEBDRO [NH3+]C1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841857454 1315624907 /nfs/dbraw/zinc/62/49/07/1315624907.db2.gz ZHSUUMJSEOGPAG-UHFFFAOYSA-N 1 0 326.784 2.317 20 5 EEBDRO C[C@@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000843358537 1315899758 /nfs/dbraw/zinc/89/97/58/1315899758.db2.gz VKEHLWJSQRJJAP-SNVBAGLBSA-N 1 0 332.326 2.083 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC001150158251 1316181981 /nfs/dbraw/zinc/18/19/81/1316181981.db2.gz KZXGRAFIISTZJD-UHFFFAOYSA-N 1 0 341.339 2.454 20 5 EEBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccc(O)c1 ZINC001249338106 1317056804 /nfs/dbraw/zinc/05/68/04/1317056804.db2.gz NGLJHBYWBMGEMH-LLVKDONJSA-N 1 0 345.290 2.127 20 5 EEBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001154748654 1317293826 /nfs/dbraw/zinc/29/38/26/1317293826.db2.gz ISDPGVHEZBZCOP-QMMMGPOBSA-N 1 0 334.207 2.002 20 5 EEBDRO CC(C)(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(=O)c1ccccc1 ZINC001155166607 1317481089 /nfs/dbraw/zinc/48/10/89/1317481089.db2.gz OFYVRNYNOTVTDZ-UHFFFAOYSA-N 1 0 341.371 2.145 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155402519 1317582162 /nfs/dbraw/zinc/58/21/62/1317582162.db2.gz OWYAYZLLEQPWQV-JVXZTZIISA-N 1 0 329.813 2.457 20 5 EEBDRO CCOc1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001155826346 1317750664 /nfs/dbraw/zinc/75/06/64/1317750664.db2.gz GSSICYCRBPLTNR-XJKSGUPXSA-N 1 0 336.392 2.102 20 5 EEBDRO Cc1ncc([N+](=O)[O-])c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)n1 ZINC001156206462 1317921458 /nfs/dbraw/zinc/92/14/58/1317921458.db2.gz JQICNSLGAQEKGK-UHFFFAOYSA-N 1 0 338.371 2.047 20 5 EEBDRO CN1CC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254479695 1318085005 /nfs/dbraw/zinc/08/50/05/1318085005.db2.gz HWMIQXXLZIBXDN-KBXCAEBGSA-N 1 0 330.432 2.200 20 5 EEBDRO CC1=NC2(CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254571610 1318126380 /nfs/dbraw/zinc/12/63/80/1318126380.db2.gz YVBVBSQQHFFQNT-ZDUSSCGKSA-N 1 0 344.415 2.251 20 5 EEBDRO CC(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)N1CCCC1 ZINC001254579414 1318129708 /nfs/dbraw/zinc/12/97/08/1318129708.db2.gz RUCKJLMSTUNGDL-RDJZCZTQSA-N 1 0 331.416 2.299 20 5 EEBDRO Nc1cc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001157432220 1318637670 /nfs/dbraw/zinc/63/76/70/1318637670.db2.gz BLCAJJDGRODPKY-CQSZACIVSA-N 1 0 327.388 2.331 20 5 EEBDRO COc1cc(N2CCC(n3cncc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256082224 1318641599 /nfs/dbraw/zinc/64/15/99/1318641599.db2.gz BUTJHOIUACCHDY-UHFFFAOYSA-N 1 0 331.376 2.100 20 5 EEBDRO COc1nc(N2CCN(c3cc[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC001158104482 1319017187 /nfs/dbraw/zinc/01/71/87/1319017187.db2.gz LOOINLBXKYKGTL-UHFFFAOYSA-N 1 0 329.360 2.028 20 5 EEBDRO Cc1cnccc1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001158111570 1319020811 /nfs/dbraw/zinc/02/08/11/1319020811.db2.gz NGRNJNPYPHWRGN-UHFFFAOYSA-N 1 0 342.399 2.137 20 5 EEBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(cccc3[N+](=O)[O-])n2)O1 ZINC001159239694 1319700483 /nfs/dbraw/zinc/70/04/83/1319700483.db2.gz GWSYVUMOUCTSES-BFYDXBDKSA-N 1 0 346.387 2.280 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160735562 1320253436 /nfs/dbraw/zinc/25/34/36/1320253436.db2.gz GVJSRFVSTCJPCS-BQBZGAKWSA-N 1 0 339.705 2.299 20 5 EEBDRO COCCC1(CNc2cnc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]CC1 ZINC001161497519 1320519344 /nfs/dbraw/zinc/51/93/44/1320519344.db2.gz UUGAEKNVJLJZKQ-UHFFFAOYSA-N 1 0 345.403 2.356 20 5 EEBDRO O=C(CCc1ccncc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161618196 1320560802 /nfs/dbraw/zinc/56/08/02/1320560802.db2.gz BEPYJKULVOSUSX-UHFFFAOYSA-N 1 0 342.399 2.219 20 5 EEBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc1Cl ZINC001162795563 1320960298 /nfs/dbraw/zinc/96/02/98/1320960298.db2.gz WTICRXNZJRTQQT-IWSPIJDZSA-N 1 0 330.722 2.056 20 5 EEBDRO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810245 1320964998 /nfs/dbraw/zinc/96/49/98/1320964998.db2.gz HMCGNFIRKKHEKW-IAGOWNOFSA-N 1 0 333.432 2.113 20 5 EEBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278889 1321086379 /nfs/dbraw/zinc/08/63/79/1321086379.db2.gz LCBIGURPGVGCDF-YGRLFVJLSA-N 1 0 326.784 2.214 20 5 EEBDRO CCOC(=O)c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163328516 1321099016 /nfs/dbraw/zinc/09/90/16/1321099016.db2.gz QFUNUNHPFVYEJL-DYVFJYSZSA-N 1 0 349.387 2.095 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC(F)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001165263802 1321486557 /nfs/dbraw/zinc/48/65/57/1321486557.db2.gz WZIRBKOBEFMKFI-UHFFFAOYSA-N 1 0 335.792 2.027 20 5 EEBDRO COC(=O)Cc1ccc(NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001165289976 1321493592 /nfs/dbraw/zinc/49/35/92/1321493592.db2.gz NKBQLBOJMDEJQA-CYBMUJFWSA-N 1 0 335.404 2.454 20 5 EEBDRO COC(=O)c1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165324708 1321500682 /nfs/dbraw/zinc/50/06/82/1321500682.db2.gz RTJNQXGFLCWXDS-CQSZACIVSA-N 1 0 348.403 2.135 20 5 EEBDRO COCc1nn(-c2nc3ccccc3cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165633983 1321556296 /nfs/dbraw/zinc/55/62/96/1321556296.db2.gz YPQYWJPTMTZINX-UHFFFAOYSA-N 1 0 325.328 2.078 20 5 EEBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cnco1 ZINC001166458726 1321722085 /nfs/dbraw/zinc/72/20/85/1321722085.db2.gz HVPFAJIIOPOPAB-UHFFFAOYSA-N 1 0 344.371 2.273 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)n1 ZINC001166700612 1321769271 /nfs/dbraw/zinc/76/92/71/1321769271.db2.gz KNUJFSVCOPKMDV-SNVBAGLBSA-N 1 0 334.767 2.041 20 5 EEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262097883 1322234634 /nfs/dbraw/zinc/23/46/34/1322234634.db2.gz PCEKOZSXJMULNG-BZWBGLRVSA-N 1 0 344.415 2.193 20 5 EEBDRO C[C@@H](CC[NH+](C)C)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001306950087 1331501738 /nfs/dbraw/zinc/50/17/38/1331501738.db2.gz YAWVBIGYLWJFNE-JTQLQIEISA-N 1 0 333.348 2.225 20 5 EEBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001324356055 1333664720 /nfs/dbraw/zinc/66/47/20/1333664720.db2.gz FJWLJRYFYHYNOA-LLVKDONJSA-N 1 0 337.351 2.053 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC001326311241 1334065441 /nfs/dbraw/zinc/06/54/41/1334065441.db2.gz SFTPCVFSQRYXGX-AWEZNQCLSA-N 1 0 335.360 2.228 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC001329498484 1334663279 /nfs/dbraw/zinc/66/32/79/1334663279.db2.gz GUXUVZSXJMYAQO-INIZCTEOSA-N 1 0 346.431 2.487 20 5 EEBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001330985228 1334940775 /nfs/dbraw/zinc/94/07/75/1334940775.db2.gz QJXBKVPBQIFSSV-LBPRGKRZSA-N 1 0 341.795 2.228 20 5 EEBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001335312840 1336362830 /nfs/dbraw/zinc/36/28/30/1336362830.db2.gz BXWZPDTVPGEDSX-INIZCTEOSA-N 1 0 344.367 2.327 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC001335396498 1336370795 /nfs/dbraw/zinc/37/07/95/1336370795.db2.gz HNDGVJBPLGRCML-QZTJIDSGSA-N 1 0 328.368 2.052 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001338984155 1336940876 /nfs/dbraw/zinc/94/08/76/1336940876.db2.gz SUNUKEWDDQFQPV-OAHLLOKOSA-N 1 0 349.435 2.075 20 5 EEBDRO CS[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066414 1336952910 /nfs/dbraw/zinc/95/29/10/1336952910.db2.gz UJYOFMRMVWMBAL-NSHDSACASA-N 1 0 338.433 2.037 20 5 EEBDRO O=C(CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001344070609 1337364130 /nfs/dbraw/zinc/36/41/30/1337364130.db2.gz VABKVTCPKHADFU-INIZCTEOSA-N 1 0 345.399 2.254 20 5 EEBDRO CC(C)(CC[NH3+])NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001575304642 1343770774 /nfs/dbraw/zinc/77/07/74/1343770774.db2.gz FASVSDDMYQLTCF-UHFFFAOYSA-N 1 0 336.211 2.276 20 5 EEBDRO C[C@H](C[NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001575991107 1343937832 /nfs/dbraw/zinc/93/78/32/1343937832.db2.gz MPHSNNUFSOBRKY-LLVKDONJSA-N 1 0 330.392 2.047 20 5 EEBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])c2ccccc2C)cc([N+](=O)[O-])c1 ZINC001578859016 1344310295 /nfs/dbraw/zinc/31/02/95/1344310295.db2.gz AOTSARXYVFBBEH-OAHLLOKOSA-N 1 0 343.339 2.328 20 5 EEBDRO CO[C@@](C)([C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578896671 1344315459 /nfs/dbraw/zinc/31/54/59/1344315459.db2.gz DYERBRNSKPCKCD-LQAWEQHXSA-N 1 0 335.404 2.089 20 5 EEBDRO Cc1nc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC001579865386 1344422007 /nfs/dbraw/zinc/42/20/07/1344422007.db2.gz RNUZIOIOCGLHDH-CYBMUJFWSA-N 1 0 339.355 2.288 20 5 EEBDRO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001580418812 1344518587 /nfs/dbraw/zinc/51/85/87/1344518587.db2.gz DRQURPQMJAOCCB-CVJICSNFSA-N 1 0 335.257 2.191 20 5 EEBDRO Nc1c(C(=O)NCC2CC[NH2+]CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001580431544 1344519567 /nfs/dbraw/zinc/51/95/67/1344519567.db2.gz KPVRTUOMQGGQSW-UHFFFAOYSA-N 1 0 328.372 2.060 20 5 EEBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001580570164 1344539222 /nfs/dbraw/zinc/53/92/22/1344539222.db2.gz OTEYATIALYXOLG-UHFFFAOYSA-N 1 0 345.330 2.397 20 5 EEBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001590084185 1349145940 /nfs/dbraw/zinc/14/59/40/1349145940.db2.gz XUKCPKAXOKXBPO-CYBMUJFWSA-N 1 0 346.391 2.211 20 5 EEBDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001603668292 1350738225 /nfs/dbraw/zinc/73/82/25/1350738225.db2.gz SHRAMEZMASSFFE-JTQLQIEISA-N 1 0 339.359 2.208 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604102884 1350858097 /nfs/dbraw/zinc/85/80/97/1350858097.db2.gz JDADTKAMUREJJD-LBPRGKRZSA-N 1 0 345.407 2.451 20 5 EEBDRO O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001116781758 1371736764 /nfs/dbraw/zinc/73/67/64/1371736764.db2.gz SBXJOLMSPMVSMA-UHFFFAOYSA-N 1 0 349.350 2.374 20 5 EEBDRO CN(C)C(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000831121885 1372364628 /nfs/dbraw/zinc/36/46/28/1372364628.db2.gz WOPFMABEPMWDQP-OAHLLOKOSA-N 1 0 335.404 2.009 20 5 EEBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000836857324 1372755110 /nfs/dbraw/zinc/75/51/10/1372755110.db2.gz YPJPRVSDVNHBQA-UHFFFAOYSA-N 1 0 347.419 2.181 20 5 EEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837171467 1372772506 /nfs/dbraw/zinc/77/25/06/1372772506.db2.gz CLGACQBRPAYJEP-UHFFFAOYSA-N 1 0 349.416 2.204 20 5 EEBDRO [NH3+][C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])cn3)CC2)Oc2ccccc21 ZINC001580165103 1403840355 /nfs/dbraw/zinc/84/03/55/1403840355.db2.gz DNLKWUXSRPQLFL-CQSZACIVSA-N 1 0 341.371 2.206 20 5 EEBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592005654 1403982228 /nfs/dbraw/zinc/98/22/28/1403982228.db2.gz VALKHQDJBSPRLH-LBPRGKRZSA-N 1 0 345.407 2.004 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077911902 721861621 /nfs/dbraw/zinc/86/16/21/721861621.db2.gz PZRDJEPADLUXFL-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO Cc1cc(N(Cc2ccccc2)C2(C[NH3+])COC2)ncc1[N+](=O)[O-] ZINC001167370922 758170843 /nfs/dbraw/zinc/17/08/43/758170843.db2.gz FHSHNKWBQCZMRW-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO O=C(CC[N@H+]1CCCCC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000847014497 790830823 /nfs/dbraw/zinc/83/08/23/790830823.db2.gz KNQPOEOYORWQQF-ZDUSSCGKSA-N 1 0 339.367 2.299 20 5 EEBDRO O=C(CC[N@H+]1CCCCC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000847014496 790831645 /nfs/dbraw/zinc/83/16/45/790831645.db2.gz KNQPOEOYORWQQF-CYBMUJFWSA-N 1 0 339.367 2.299 20 5 EEBDRO Cn1c2ccccc2nc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734537 783316504 /nfs/dbraw/zinc/31/65/04/783316504.db2.gz GWPXCLPHROKDFO-UHFFFAOYSA-N 1 0 325.372 2.447 20 5 EEBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000817994899 785112111 /nfs/dbraw/zinc/11/21/11/785112111.db2.gz NZDVHBVNDSBFHS-VIFPVBQESA-N 1 0 325.674 2.258 20 5 EEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000818487467 785265985 /nfs/dbraw/zinc/26/59/85/785265985.db2.gz UQPFEIQEWVMTRR-LLVKDONJSA-N 1 0 347.749 2.451 20 5 EEBDRO O=C1Nc2ccccc2[C@H]1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818977940 785346957 /nfs/dbraw/zinc/34/69/57/785346957.db2.gz AAHBNXGGQNEOJK-WBVHZDCISA-N 1 0 341.367 2.344 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)cc1 ZINC000819042367 785372027 /nfs/dbraw/zinc/37/20/27/785372027.db2.gz MDLQSTPQIDWWDF-BXKMTCNYSA-N 1 0 348.424 2.167 20 5 EEBDRO CSCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819088494 785397167 /nfs/dbraw/zinc/39/71/67/785397167.db2.gz SNIIJSWJTMOOGW-NSHDSACASA-N 1 0 332.447 2.100 20 5 EEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819141693 785420067 /nfs/dbraw/zinc/42/00/67/785420067.db2.gz VOMNLZOMMOWIKR-XGGYBDDLSA-N 1 0 340.445 2.298 20 5 EEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000819177175 785449720 /nfs/dbraw/zinc/44/97/20/785449720.db2.gz RNAWSXLOPXWMJL-FVQBIDKESA-N 1 0 338.429 2.273 20 5 EEBDRO O=C(CC[NH2+]C[C@@H]1COC2(CCCC2)O1)Nc1ccccc1[N+](=O)[O-] ZINC000819206417 785454806 /nfs/dbraw/zinc/45/48/06/785454806.db2.gz ZVVNKDLAWWDVAC-CYBMUJFWSA-N 1 0 349.387 2.199 20 5 EEBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819275490 785504120 /nfs/dbraw/zinc/50/41/20/785504120.db2.gz VWNBITBAOUKWCD-BXUZGUMPSA-N 1 0 339.392 2.131 20 5 EEBDRO C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908572472 785538076 /nfs/dbraw/zinc/53/80/76/785538076.db2.gz XNJAGCQDWLSIRC-INIZCTEOSA-N 1 0 347.415 2.105 20 5 EEBDRO Cc1c[nH]nc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996403773 786359285 /nfs/dbraw/zinc/35/92/85/786359285.db2.gz HROORKNUVKOCAE-UHFFFAOYSA-N 1 0 343.387 2.021 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107204043 786394298 /nfs/dbraw/zinc/39/42/98/786394298.db2.gz HZHJTQMRFDODJI-SREVYHEPSA-N 1 0 334.420 2.329 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001107379099 787067551 /nfs/dbraw/zinc/06/75/51/787067551.db2.gz AORFMHKSRVSVTH-PLNGDYQASA-N 1 0 346.431 2.472 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1ncc([N+](=O)[O-])cc1C ZINC001107391346 787104730 /nfs/dbraw/zinc/10/47/30/787104730.db2.gz GILGNKGBAPCYSW-BQYQJAHWSA-N 1 0 349.435 2.113 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001107391983 787105889 /nfs/dbraw/zinc/10/58/89/787105889.db2.gz QVLNWFIHFANPNW-BQYQJAHWSA-N 1 0 349.435 2.113 20 5 EEBDRO COCC1(c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)CC[NH2+]CC1 ZINC000822862510 787441902 /nfs/dbraw/zinc/44/19/02/787441902.db2.gz JUOOINSSYYJFGD-UHFFFAOYSA-N 1 0 346.387 2.145 20 5 EEBDRO C[NH2+][C@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000911736215 787671660 /nfs/dbraw/zinc/67/16/60/787671660.db2.gz IGHGWMBTHODCCQ-LBPRGKRZSA-N 1 0 325.796 2.391 20 5 EEBDRO O=C(Cc1ccc(F)cc1F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127816495 787961239 /nfs/dbraw/zinc/96/12/39/787961239.db2.gz XRWSLOKOVZNPHN-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938577 787992974 /nfs/dbraw/zinc/99/29/74/787992974.db2.gz IVFSFJBNMPSDAU-WCQYABFASA-N 1 0 333.392 2.268 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825411285 788619244 /nfs/dbraw/zinc/61/92/44/788619244.db2.gz NPRUVUZJZZGUDV-QGZVFWFLSA-N 1 0 349.431 2.207 20 5 EEBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC001147301382 791774114 /nfs/dbraw/zinc/77/41/14/791774114.db2.gz WCOSSVGMVNTMFH-UHFFFAOYSA-N 1 0 345.403 2.200 20 5 EEBDRO O=C1C[C@H]([N@@H+]2CCC3(CCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000172951114 791798394 /nfs/dbraw/zinc/79/83/94/791798394.db2.gz OVTKGOTTWGOOMK-HNNXBMFYSA-N 1 0 343.383 2.493 20 5 EEBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901012 797129651 /nfs/dbraw/zinc/12/96/51/797129651.db2.gz FLYOMDVLMJIVNR-RHSMWYFYSA-N 1 0 333.432 2.153 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)CC2 ZINC001172914159 797148023 /nfs/dbraw/zinc/14/80/23/797148023.db2.gz DJJCJEOBBKQCSD-HKUYNNGSSA-N 1 0 345.443 2.249 20 5 EEBDRO O=C1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]2CCCN12 ZINC001172921319 797151073 /nfs/dbraw/zinc/15/10/73/797151073.db2.gz OJAIFYLWKRKCTL-WBVHZDCISA-N 1 0 329.400 2.149 20 5 EEBDRO C[C@@H](CO)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010650 797195808 /nfs/dbraw/zinc/19/58/08/797195808.db2.gz ZPANFWMQLPLGJW-LLVKDONJSA-N 1 0 343.374 2.450 20 5 EEBDRO COCC[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014375 797197114 /nfs/dbraw/zinc/19/71/14/797197114.db2.gz QAEZXRHWUQVFAQ-UHFFFAOYSA-N 1 0 329.347 2.420 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)c2ccccn2)c1F ZINC001173193045 797282463 /nfs/dbraw/zinc/28/24/63/797282463.db2.gz SSBPHHZDGFDRNU-NHYWBVRUSA-N 1 0 349.362 2.392 20 5 EEBDRO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CC[N@H+](C)CC ZINC001106841969 797298962 /nfs/dbraw/zinc/29/89/62/797298962.db2.gz VASFQGRRCFNTNV-UHFFFAOYSA-N 1 0 340.399 2.336 20 5 EEBDRO COC(=O)c1cncc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173222284 797304013 /nfs/dbraw/zinc/30/40/13/797304013.db2.gz VZPSPBLFHPCPFN-LBPRGKRZSA-N 1 0 329.356 2.497 20 5 EEBDRO CC[N@@H+]1CCO[C@@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227542 797311874 /nfs/dbraw/zinc/31/18/74/797311874.db2.gz PMSKZIBVYSPJMU-UWWQBHOKSA-N 1 0 333.432 2.178 20 5 EEBDRO Cc1nc(NC2CCN(C(=O)CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095246373 797557769 /nfs/dbraw/zinc/55/77/69/797557769.db2.gz NYNFPZOCRNFMDO-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000917008933 798016394 /nfs/dbraw/zinc/01/63/94/798016394.db2.gz VWXUSGADSKSSDU-MRXNPFEDSA-N 1 0 348.403 2.360 20 5 EEBDRO COc1ccc(Nc2ncccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001176364530 798441348 /nfs/dbraw/zinc/44/13/48/798441348.db2.gz ZTCLOJDGURDRQX-UHFFFAOYSA-N 1 0 343.387 2.494 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)C1CC=CC1 ZINC001178089454 799291013 /nfs/dbraw/zinc/29/10/13/799291013.db2.gz OZWCETNDCRHLGH-UHFFFAOYSA-N 1 0 349.435 2.061 20 5 EEBDRO C[NH+](C)C[C@@H]1COCCN1c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001154968099 800886458 /nfs/dbraw/zinc/88/64/58/800886458.db2.gz MOZHQBFCPYYVFJ-MRVPVSSYSA-N 1 0 335.191 2.063 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001086094204 802149462 /nfs/dbraw/zinc/14/94/62/802149462.db2.gz AKDMXSMYIWCURJ-JNSHFYNHSA-N 1 0 328.372 2.221 20 5 EEBDRO Cc1nocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086185450 802433739 /nfs/dbraw/zinc/43/37/39/802433739.db2.gz ZFXISGOEQSIREF-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO Cn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086311102 802714074 /nfs/dbraw/zinc/71/40/74/802714074.db2.gz SIUUCTFJSJJRLY-AULYBMBSSA-N 1 0 348.428 2.293 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168962421 803551027 /nfs/dbraw/zinc/55/10/27/803551027.db2.gz MOZLJFHGGCSRTK-DVZHBHJUSA-N 1 0 325.409 2.031 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168969925 803554054 /nfs/dbraw/zinc/55/40/54/803554054.db2.gz GLLXLWPUEGUONA-SYQHCUMBSA-N 1 0 345.415 2.369 20 5 EEBDRO CC(C)(C)OC(=O)C1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC([NH3+])CC1 ZINC001168973902 803557309 /nfs/dbraw/zinc/55/73/09/803557309.db2.gz PJQLWZDIJUNFED-SMOJQAGNSA-N 1 0 341.452 2.003 20 5 EEBDRO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168991529 803558896 /nfs/dbraw/zinc/55/88/96/803558896.db2.gz HFYMIDKZHWRWBX-ZFWWWQNUSA-N 1 0 332.404 2.134 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ncccc3F)CCOCC2)C1 ZINC001169000356 803566058 /nfs/dbraw/zinc/56/60/58/803566058.db2.gz XRMXOSCARYWLDK-KBPBESRZSA-N 1 0 337.395 2.304 20 5 EEBDRO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006331 803568123 /nfs/dbraw/zinc/56/81/23/803568123.db2.gz XNSRXSROGONUSH-REWJHTLYSA-N 1 0 327.425 2.467 20 5 EEBDRO Cc1nc(CC[NH3+])nn1-c1cc(C)c(Br)cc1[N+](=O)[O-] ZINC001168988814 803573009 /nfs/dbraw/zinc/57/30/09/803573009.db2.gz CXAGLLVISPKOQU-UHFFFAOYSA-N 1 0 340.181 2.056 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)C1 ZINC001169020072 803588049 /nfs/dbraw/zinc/58/80/49/803588049.db2.gz IBJZXWWEFGYFAW-OCABDXPQSA-N 1 0 347.415 2.138 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)C1 ZINC001169020581 803588056 /nfs/dbraw/zinc/58/80/56/803588056.db2.gz JKCNCBRYRNQLFI-DUQPFJRNSA-N 1 0 338.448 2.480 20 5 EEBDRO CCC1(NC(=O)OC(C)(C)C)C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047853 803593565 /nfs/dbraw/zinc/59/35/65/803593565.db2.gz RWPZYXQZEHLSKP-QWHCGFSZSA-N 1 0 327.425 2.421 20 5 EEBDRO C[N@H+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049027 803594855 /nfs/dbraw/zinc/59/48/55/803594855.db2.gz VRJIZNIHWWPBOQ-XPABHHOTSA-N 1 0 339.436 2.229 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NCc1ncn3c1C[NH2+]CCC3)CCCC2 ZINC001169240980 803666454 /nfs/dbraw/zinc/66/64/54/803666454.db2.gz PYGYXUMSIMQWMY-UHFFFAOYSA-N 1 0 342.403 2.171 20 5 EEBDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001169892550 804212461 /nfs/dbraw/zinc/21/24/61/804212461.db2.gz CQTCJUOCBJETPK-UHFFFAOYSA-N 1 0 346.387 2.445 20 5 EEBDRO CCc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001170196272 809824362 /nfs/dbraw/zinc/82/43/62/809824362.db2.gz ILIZGFAIHDYPHZ-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170351554 809920113 /nfs/dbraw/zinc/92/01/13/809920113.db2.gz DCSQBJNDENITKJ-CJNGLKHVSA-N 1 0 349.431 2.477 20 5 EEBDRO O=C(COCC1CCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129704494 810963205 /nfs/dbraw/zinc/96/32/05/810963205.db2.gz HSJQIBUVXLWHMG-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO CC(C)(C)c1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001131209298 812537651 /nfs/dbraw/zinc/53/76/51/812537651.db2.gz OLRUNPAAQVPQIP-UHFFFAOYSA-N 1 0 346.387 2.400 20 5 EEBDRO Cc1csc(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001131372429 812733440 /nfs/dbraw/zinc/73/34/40/812733440.db2.gz GYASGMDPYAKENF-UHFFFAOYSA-N 1 0 348.428 2.198 20 5 EEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000808784717 812853636 /nfs/dbraw/zinc/85/36/36/812853636.db2.gz YVFCRTAQNVYSKL-OFQRWUPVSA-N 1 0 335.379 2.471 20 5 EEBDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000047423492 213849178 /nfs/dbraw/zinc/84/91/78/213849178.db2.gz VOCWZDPMGGZGNW-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1[N+](=O)[O-] ZINC000181811285 234333067 /nfs/dbraw/zinc/33/30/67/234333067.db2.gz QNRVPGHCZKROKS-LBPRGKRZSA-N 1 0 346.343 2.324 20 5 EEBDRO Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000187094171 236116056 /nfs/dbraw/zinc/11/60/56/236116056.db2.gz RNIJTOFYWUCOSB-UHFFFAOYSA-N 1 0 330.344 2.318 20 5 EEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000129444019 223056496 /nfs/dbraw/zinc/05/64/96/223056496.db2.gz LKHCCKXPYQAPCD-ZDUSSCGKSA-N 1 0 349.412 2.224 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H](C[NH+]4CCCC4)C3)cc2N1 ZINC000131674331 223257436 /nfs/dbraw/zinc/25/74/36/223257436.db2.gz NYICFGCRLQPFIM-ZDUSSCGKSA-N 1 0 344.415 2.402 20 5 EEBDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000416049259 239058831 /nfs/dbraw/zinc/05/88/31/239058831.db2.gz QYGVSCQJKNNZIA-GZMMTYOYSA-N 1 0 334.298 2.235 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000191363690 239067699 /nfs/dbraw/zinc/06/76/99/239067699.db2.gz HUWXFOMMTLBBAQ-NJAFHUGGSA-N 1 0 344.415 2.153 20 5 EEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000193482362 240183061 /nfs/dbraw/zinc/18/30/61/240183061.db2.gz XGQUQEQHLZIKEP-UFBFGSQYSA-N 1 0 342.193 2.228 20 5 EEBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193673835 240260213 /nfs/dbraw/zinc/26/02/13/240260213.db2.gz MZLDGJNGISTQGW-ZBEGNZNMSA-N 1 0 329.356 2.469 20 5 EEBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000075242121 216603173 /nfs/dbraw/zinc/60/31/73/216603173.db2.gz TZUMSDTVIOAHPQ-UHFFFAOYSA-N 1 0 338.364 2.355 20 5 EEBDRO C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000429366658 241754110 /nfs/dbraw/zinc/75/41/10/241754110.db2.gz ZKWHJSLHPFKNQJ-UHFFFAOYSA-N 1 0 342.193 2.181 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446398682 242188237 /nfs/dbraw/zinc/18/82/37/242188237.db2.gz PADAJDSPYOVAEZ-WCQGTBRESA-N 1 0 341.795 2.402 20 5 EEBDRO CC(C)(C)N1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447589920 242292872 /nfs/dbraw/zinc/29/28/72/242292872.db2.gz ZNCFFNDGRYZOPA-RDBSUJKOSA-N 1 0 349.435 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[NH+]1CCCCC1 ZINC000447813814 242319061 /nfs/dbraw/zinc/31/90/61/242319061.db2.gz URCCWARMYYPZEQ-UHFFFAOYSA-N 1 0 348.447 2.325 20 5 EEBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000451542806 243151475 /nfs/dbraw/zinc/15/14/75/243151475.db2.gz AFZWQBIWXHZHRK-WBVHZDCISA-N 1 0 333.432 2.495 20 5 EEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499645 243135481 /nfs/dbraw/zinc/13/54/81/243135481.db2.gz MKBOMFLSJWVVNZ-XFBWCDHKSA-N 1 0 335.404 2.491 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451695733 243209670 /nfs/dbraw/zinc/20/96/70/243209670.db2.gz NYZVCPLKOMFQDF-YCPHGPKFSA-N 1 0 347.415 2.325 20 5 EEBDRO Cc1c(CN2CCCC[C@@H]2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000451657914 243194453 /nfs/dbraw/zinc/19/44/53/243194453.db2.gz LOJCUGZDQAZNCF-CQSZACIVSA-N 1 0 326.418 2.302 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCc2ccccc2CC1 ZINC000451710850 243219067 /nfs/dbraw/zinc/21/90/67/243219067.db2.gz NFZPBTRMIWVYKA-UHFFFAOYSA-N 1 0 327.384 2.247 20 5 EEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451821333 243280824 /nfs/dbraw/zinc/28/08/24/243280824.db2.gz ADUZDOCOGLKXDK-ZDUSSCGKSA-N 1 0 335.404 2.403 20 5 EEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262739568 245153333 /nfs/dbraw/zinc/15/33/33/245153333.db2.gz IXAXOXPAIHLCSM-MFKMUULPSA-N 1 0 346.412 2.446 20 5 EEBDRO CCOC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459713922 245220217 /nfs/dbraw/zinc/22/02/17/245220217.db2.gz OFFRFKCSEZTFBG-CABCVRRESA-N 1 0 338.404 2.226 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000459738077 245229980 /nfs/dbraw/zinc/22/99/80/245229980.db2.gz AAGHEJOMTVFSER-UONOGXRCSA-N 1 0 333.388 2.389 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000264907983 247032074 /nfs/dbraw/zinc/03/20/74/247032074.db2.gz XZKYARMFTXLIDE-DGCLKSJQSA-N 1 0 331.376 2.105 20 5 EEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000265096872 247200605 /nfs/dbraw/zinc/20/06/05/247200605.db2.gz CGNQXBJJQSHAGX-ZDUSSCGKSA-N 1 0 332.404 2.092 20 5 EEBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265936148 247946299 /nfs/dbraw/zinc/94/62/99/247946299.db2.gz FAQUPTMWRLQFMO-CJYSPXJISA-N 1 0 333.388 2.325 20 5 EEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([NH2+]CCO)CC1 ZINC000270597307 285085381 /nfs/dbraw/zinc/08/53/81/285085381.db2.gz XFGOEAUNYXLDJL-UHFFFAOYSA-N 1 0 333.310 2.164 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363248889 285089613 /nfs/dbraw/zinc/08/96/13/285089613.db2.gz OPACLDNMRCIVTM-HIFRSBDPSA-N 1 0 325.796 2.284 20 5 EEBDRO COc1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000174704602 533133881 /nfs/dbraw/zinc/13/38/81/533133881.db2.gz DOGXFMASPPKQOK-RDJZCZTQSA-N 1 0 348.403 2.148 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccnc1 ZINC000132675062 533138270 /nfs/dbraw/zinc/13/82/70/533138270.db2.gz CYNRIFDCLPDRNZ-UHFFFAOYSA-N 1 0 344.371 2.459 20 5 EEBDRO Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154722114 224294759 /nfs/dbraw/zinc/29/47/59/224294759.db2.gz ZGCPWZVYTQVBAT-UHFFFAOYSA-N 1 0 332.404 2.268 20 5 EEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000273531364 256304233 /nfs/dbraw/zinc/30/42/33/256304233.db2.gz RINYENXYPSIDFX-CABCVRRESA-N 1 0 335.429 2.247 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276085650 256401121 /nfs/dbraw/zinc/40/11/21/256401121.db2.gz JBZHWUDMGMNORE-UHFFFAOYSA-N 1 0 338.408 2.087 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cccn2)cc1 ZINC000180816162 533406394 /nfs/dbraw/zinc/40/63/94/533406394.db2.gz TYNRVVOVGVIEMV-CYBMUJFWSA-N 1 0 326.360 2.328 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000111353281 142359724 /nfs/dbraw/zinc/35/97/24/142359724.db2.gz DWEFUDWCRNSJPT-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000355926535 153206314 /nfs/dbraw/zinc/20/63/14/153206314.db2.gz FQMBSDARRACMDR-UHFFFAOYSA-N 1 0 343.431 2.425 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128902587 292348835 /nfs/dbraw/zinc/34/88/35/292348835.db2.gz GNEFALMQYFCCQV-MVWJERBFSA-N 1 0 341.795 2.402 20 5 EEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000261908798 160425906 /nfs/dbraw/zinc/42/59/06/160425906.db2.gz PYBNDDHZDYAERP-CYBMUJFWSA-N 1 0 341.433 2.188 20 5 EEBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089635384 286643708 /nfs/dbraw/zinc/64/37/08/286643708.db2.gz CQGLBOXOULLKEK-SWLSCSKDSA-N 1 0 340.445 2.329 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104531393 159287270 /nfs/dbraw/zinc/28/72/70/159287270.db2.gz SXRMEEJYUSEOTI-UHFFFAOYSA-N 1 0 345.403 2.194 20 5 EEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174038477 159794884 /nfs/dbraw/zinc/79/48/84/159794884.db2.gz YWGVWWXHFMIAJK-HNNXBMFYSA-N 1 0 348.447 2.364 20 5 EEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000185807083 160049146 /nfs/dbraw/zinc/04/91/46/160049146.db2.gz GIEXGZLMAOCRAD-AWEZNQCLSA-N 1 0 343.449 2.240 20 5 EEBDRO COc1cc(C(=O)NCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000188718330 160127730 /nfs/dbraw/zinc/12/77/30/160127730.db2.gz OSFOKGMLWGTGRT-UHFFFAOYSA-N 1 0 335.404 2.374 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCO[C@@H](c2ccco2)C1 ZINC000248456291 160347354 /nfs/dbraw/zinc/34/73/54/160347354.db2.gz LMSCMZSFEAXERQ-SUMWQHHRSA-N 1 0 348.355 2.001 20 5 EEBDRO Cn1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341866351 161019962 /nfs/dbraw/zinc/01/99/62/161019962.db2.gz JJKHPYFRNIHSSO-CQSZACIVSA-N 1 0 334.351 2.105 20 5 EEBDRO CSCC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000342314889 161055716 /nfs/dbraw/zinc/05/57/16/161055716.db2.gz ODPSTCHPYJYVDV-IQCBXXCUSA-N 1 0 337.445 2.408 20 5 EEBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000342572608 161075094 /nfs/dbraw/zinc/07/50/94/161075094.db2.gz FXHAHOALGLOFDH-LLVKDONJSA-N 1 0 331.376 2.144 20 5 EEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343067224 161099800 /nfs/dbraw/zinc/09/98/00/161099800.db2.gz MYUWSEOYBNHLMD-UHFFFAOYSA-N 1 0 346.387 2.262 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000345043619 161266447 /nfs/dbraw/zinc/26/64/47/161266447.db2.gz JHRRCOZRSYIPIA-JYRVWZFOSA-N 1 0 338.429 2.413 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000345191157 161280444 /nfs/dbraw/zinc/28/04/44/161280444.db2.gz PHJOIGHWNPCFGZ-VXGBXAGGSA-N 1 0 336.392 2.085 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000345894639 161340274 /nfs/dbraw/zinc/34/02/74/161340274.db2.gz WMGFFALWPJWYLQ-CABCVRRESA-N 1 0 342.399 2.293 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346238240 161361694 /nfs/dbraw/zinc/36/16/94/161361694.db2.gz OHVSMRRZPMZZBH-DVOMOZLQSA-N 1 0 347.415 2.406 20 5 EEBDRO Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000355437065 163188442 /nfs/dbraw/zinc/18/84/42/163188442.db2.gz BIEGFBPKDGMKNL-OAHLLOKOSA-N 1 0 347.415 2.230 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368048835 166041589 /nfs/dbraw/zinc/04/15/89/166041589.db2.gz YOTKJCLJXVOHRD-HNNXBMFYSA-N 1 0 332.404 2.045 20 5 EEBDRO CC(C)[NH+]1CCC(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000359612162 164137094 /nfs/dbraw/zinc/13/70/94/164137094.db2.gz CNNACBHMOAEFOK-UHFFFAOYSA-N 1 0 347.415 2.436 20 5 EEBDRO Cn1c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000359781665 164170425 /nfs/dbraw/zinc/17/04/25/164170425.db2.gz ABYQRLKWEJVHLD-CYBMUJFWSA-N 1 0 334.351 2.105 20 5 EEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359928094 164198525 /nfs/dbraw/zinc/19/85/25/164198525.db2.gz YIHNSEWJWDMTIR-VXGBXAGGSA-N 1 0 335.404 2.467 20 5 EEBDRO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000360240270 164264877 /nfs/dbraw/zinc/26/48/77/164264877.db2.gz DUOIJDTWUGFMPN-UHFFFAOYSA-N 1 0 336.373 2.165 20 5 EEBDRO CNc1c(C(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000360931775 164402954 /nfs/dbraw/zinc/40/29/54/164402954.db2.gz RFFMQCIWNYFVRI-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000364640116 165218031 /nfs/dbraw/zinc/21/80/31/165218031.db2.gz AYUGQUBWKRITLC-UONOGXRCSA-N 1 0 332.356 2.417 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365315443 165439815 /nfs/dbraw/zinc/43/98/15/165439815.db2.gz JHBOZSNVNUWJRN-ZIAGYGMSSA-N 1 0 333.388 2.107 20 5 EEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369793235 166332022 /nfs/dbraw/zinc/33/20/22/166332022.db2.gz KINHYWSYGCMKSG-GJZGRUSLSA-N 1 0 332.404 2.063 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000369911224 166355645 /nfs/dbraw/zinc/35/56/45/166355645.db2.gz KCRMCGRBRSWKCM-VHDGCEQUSA-N 1 0 344.415 2.369 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(N)c([N+](=O)[O-])c1 ZINC000375969408 167238141 /nfs/dbraw/zinc/23/81/41/167238141.db2.gz OWINJRQIXWWAJU-OAHLLOKOSA-N 1 0 340.383 2.102 20 5 EEBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160911686 225504189 /nfs/dbraw/zinc/50/41/89/225504189.db2.gz HXMZXPZNSAQHGX-CHWSQXEVSA-N 1 0 333.388 2.092 20 5 EEBDRO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123814136 222335503 /nfs/dbraw/zinc/33/55/03/222335503.db2.gz TWKOSXUQVNSSIM-DOMZBBRYSA-N 1 0 335.404 2.376 20 5 EEBDRO Cn1ccnc1[C@@H](NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272502580 268983886 /nfs/dbraw/zinc/98/38/86/268983886.db2.gz HFJXLYNRQALENS-KRWDZBQOSA-N 1 0 343.431 2.493 20 5 EEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000272625729 269000216 /nfs/dbraw/zinc/00/02/16/269000216.db2.gz VLAITBHGTNHODS-MNOVXSKESA-N 1 0 341.795 2.226 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272730331 269013490 /nfs/dbraw/zinc/01/34/90/269013490.db2.gz KPKBTDBEPVNJLO-LBPRGKRZSA-N 1 0 348.403 2.053 20 5 EEBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278508849 269235176 /nfs/dbraw/zinc/23/51/76/269235176.db2.gz XZWMFBXOHOPWJG-SECBINFHSA-N 1 0 334.298 2.141 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@H+](C)C1 ZINC000279621226 269294948 /nfs/dbraw/zinc/29/49/48/269294948.db2.gz YJLKFNQXJVXQDA-SECBINFHSA-N 1 0 327.768 2.398 20 5 EEBDRO CCOc1cc(N2CC[NH+](CCC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000280203477 269337848 /nfs/dbraw/zinc/33/78/48/269337848.db2.gz JFAOJGOMMMAHKG-UHFFFAOYSA-N 1 0 337.420 2.277 20 5 EEBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280656296 269383092 /nfs/dbraw/zinc/38/30/92/269383092.db2.gz ZOJZZTAVRVCAIR-DOTOQJQBSA-N 1 0 338.404 2.226 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282880998 269520280 /nfs/dbraw/zinc/52/02/80/269520280.db2.gz VRXWCQKGBXMNEI-WDEREUQCSA-N 1 0 327.356 2.118 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188174228 274028396 /nfs/dbraw/zinc/02/83/96/274028396.db2.gz GKYORMRLGHZKDT-UHFFFAOYSA-N 1 0 341.433 2.015 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000338696233 274118436 /nfs/dbraw/zinc/11/84/36/274118436.db2.gz YEXLWEIRUWAARD-AWEZNQCLSA-N 1 0 348.447 2.208 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000271541657 274141142 /nfs/dbraw/zinc/14/11/42/274141142.db2.gz QUVGSKIMHBIXBD-ZANVPECISA-N 1 0 349.309 2.215 20 5 EEBDRO COC(=O)CCCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271847767 274158959 /nfs/dbraw/zinc/15/89/59/274158959.db2.gz VILSJBDRCQUORU-UHFFFAOYSA-N 1 0 349.431 2.145 20 5 EEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245665613 274220589 /nfs/dbraw/zinc/22/05/89/274220589.db2.gz GOQYSHNTQBNZIW-XQQFMLRXSA-N 1 0 334.420 2.273 20 5 EEBDRO Cc1ccc([C@@H](C)NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1[N+](=O)[O-] ZINC000278947182 274418169 /nfs/dbraw/zinc/41/81/69/274418169.db2.gz GUCYOWFRZAUETO-YPMHNXCESA-N 1 0 343.387 2.194 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CC1CCC1 ZINC000279866717 274554649 /nfs/dbraw/zinc/55/46/49/274554649.db2.gz SXHRKLYESQIQMJ-IUODEOHRSA-N 1 0 335.404 2.453 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287006823 274926589 /nfs/dbraw/zinc/92/65/89/274926589.db2.gz KLSXQZQHTHVPMQ-KBPBESRZSA-N 1 0 340.445 2.330 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000365489596 275038439 /nfs/dbraw/zinc/03/84/39/275038439.db2.gz FWUVIUBWTDCMCY-SOLBZPMBSA-N 1 0 331.416 2.425 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288527078 275067124 /nfs/dbraw/zinc/06/71/24/275067124.db2.gz UIRHESCOUUSXHP-JSGCOSHPSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000288578817 275072071 /nfs/dbraw/zinc/07/20/71/275072071.db2.gz VAIHCHQGUHPTJA-NSHDSACASA-N 1 0 344.371 2.015 20 5 EEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000289468044 275118488 /nfs/dbraw/zinc/11/84/88/275118488.db2.gz HRDBWNNBBUCYKN-CYBMUJFWSA-N 1 0 343.449 2.135 20 5 EEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289483886 275120273 /nfs/dbraw/zinc/12/02/73/275120273.db2.gz CCICZSNEARIALO-KGLIPLIRSA-N 1 0 334.420 2.210 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1F ZINC000289703436 275140711 /nfs/dbraw/zinc/14/07/11/275140711.db2.gz WIGCZYDIMBNWEQ-LLVKDONJSA-N 1 0 347.412 2.049 20 5 EEBDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000290057819 275174890 /nfs/dbraw/zinc/17/48/90/275174890.db2.gz XMHSCFAPOMAWFM-CQSZACIVSA-N 1 0 343.387 2.375 20 5 EEBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290300898 275196258 /nfs/dbraw/zinc/19/62/58/275196258.db2.gz NOVNDNFPYKGDKL-OAHLLOKOSA-N 1 0 326.418 2.385 20 5 EEBDRO NC(=O)c1ccnc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000290626644 275223965 /nfs/dbraw/zinc/22/39/65/275223965.db2.gz MAHIWDLLWKCIFY-UHFFFAOYSA-N 1 0 347.419 2.155 20 5 EEBDRO C[C@@H]1CCC[C@@](CNc2nccc(C(N)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000290721756 275233177 /nfs/dbraw/zinc/23/31/77/275233177.db2.gz ZAMLJEDCCWETIU-BDJLRTHQSA-N 1 0 335.408 2.011 20 5 EEBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000291223889 275283893 /nfs/dbraw/zinc/28/38/93/275283893.db2.gz LSVATLORASYZIT-RYUDHWBXSA-N 1 0 339.392 2.287 20 5 EEBDRO Cc1c(C(=O)N[C@H](C)CCCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000292086813 275374047 /nfs/dbraw/zinc/37/40/47/275374047.db2.gz MSLDUUARTIWYNU-SECBINFHSA-N 1 0 338.364 2.367 20 5 EEBDRO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292136278 275382372 /nfs/dbraw/zinc/38/23/72/275382372.db2.gz IUYODDNVDRCEPG-KBXCAEBGSA-N 1 0 333.432 2.434 20 5 EEBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038100 278294338 /nfs/dbraw/zinc/29/43/38/278294338.db2.gz CNMGYTNWWOOTQF-SMDDNHRTSA-N 1 0 327.812 2.147 20 5 EEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000438338793 288113841 /nfs/dbraw/zinc/11/38/41/288113841.db2.gz LFDDQBQXPIHKJZ-DDJMYBDESA-N 1 0 333.432 2.385 20 5 EEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262200168 279667813 /nfs/dbraw/zinc/66/78/13/279667813.db2.gz KJJROWYVKATFNB-HUUCEWRRSA-N 1 0 346.431 2.151 20 5 EEBDRO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269267214 279817341 /nfs/dbraw/zinc/81/73/41/279817341.db2.gz KZRKFKLPMIUMBF-KWQFWETISA-N 1 0 331.294 2.423 20 5 EEBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171872925 281363046 /nfs/dbraw/zinc/36/30/46/281363046.db2.gz OLPKXJXIRUPMOV-LBPRGKRZSA-N 1 0 345.403 2.131 20 5 EEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCOC ZINC000281605517 292770382 /nfs/dbraw/zinc/77/03/82/292770382.db2.gz MNSUQJOFTJOOPP-QWHCGFSZSA-N 1 0 328.434 2.453 20 5 EEBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000287477021 293062649 /nfs/dbraw/zinc/06/26/49/293062649.db2.gz MQFBJJSTODCKCU-UHFFFAOYSA-N 1 0 343.387 2.055 20 5 EEBDRO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570236 293241136 /nfs/dbraw/zinc/24/11/36/293241136.db2.gz DJVINWTZMAFMOE-LBPRGKRZSA-N 1 0 334.420 2.476 20 5 EEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293603410 293249579 /nfs/dbraw/zinc/24/95/79/293249579.db2.gz ZYQBMTRMOBVSQY-YWPYICTPSA-N 1 0 335.429 2.286 20 5 EEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293758057 293287813 /nfs/dbraw/zinc/28/78/13/293287813.db2.gz ORUWWQCVPRJTGG-LBPRGKRZSA-N 1 0 349.412 2.302 20 5 EEBDRO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943224 293333176 /nfs/dbraw/zinc/33/31/76/293333176.db2.gz YSZJYQYBCSDHEI-KBPBESRZSA-N 1 0 348.447 2.329 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294195728 293393636 /nfs/dbraw/zinc/39/36/36/293393636.db2.gz PSZXPFLYDIUTEJ-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296987029 294121662 /nfs/dbraw/zinc/12/16/62/294121662.db2.gz JOFCRXLIHGPEGG-MQVJKMGUSA-N 1 0 346.431 2.404 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1C ZINC000194771237 301859871 /nfs/dbraw/zinc/85/98/71/301859871.db2.gz VFQZBYQFBAUWPK-ZDUSSCGKSA-N 1 0 341.433 2.007 20 5 EEBDRO [NH3+]CC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449718115 303383663 /nfs/dbraw/zinc/38/36/63/303383663.db2.gz IZUXBHZZTMURIL-GFCCVEGCSA-N 1 0 348.325 2.183 20 5 EEBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000303022102 311558859 /nfs/dbraw/zinc/55/88/59/311558859.db2.gz NBMJEJVVEXRKSO-VMPITWQZSA-N 1 0 329.360 2.005 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000413054032 312777226 /nfs/dbraw/zinc/77/72/26/312777226.db2.gz MFINPNGFVIZJQG-LLVKDONJSA-N 1 0 348.325 2.267 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000413183605 312814659 /nfs/dbraw/zinc/81/46/59/312814659.db2.gz VSFMSZYAHMILPJ-CQSZACIVSA-N 1 0 342.399 2.302 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000420947650 314006484 /nfs/dbraw/zinc/00/64/84/314006484.db2.gz UEILNLCKAFEIOO-TZMCWYRMSA-N 1 0 335.404 2.182 20 5 EEBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000421025489 314029288 /nfs/dbraw/zinc/02/92/88/314029288.db2.gz QXZLJVCZDCRGRN-CHWSQXEVSA-N 1 0 338.408 2.091 20 5 EEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000422030349 314172231 /nfs/dbraw/zinc/17/22/31/314172231.db2.gz APBXAPPPXZOQDW-CQSZACIVSA-N 1 0 343.387 2.151 20 5 EEBDRO Cc1ccc(NCC(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000431474177 314635531 /nfs/dbraw/zinc/63/55/31/314635531.db2.gz SZLILGRMBBGBKS-UHFFFAOYSA-N 1 0 334.420 2.307 20 5 EEBDRO CC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000439470144 315079696 /nfs/dbraw/zinc/07/96/96/315079696.db2.gz NHYNKHMOMMOFDA-AWEZNQCLSA-N 1 0 349.387 2.394 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000440423691 315130552 /nfs/dbraw/zinc/13/05/52/315130552.db2.gz CWFJPXUXHDRRBL-UHFFFAOYSA-N 1 0 347.396 2.195 20 5 EEBDRO CCc1[nH]nc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000444135217 315275935 /nfs/dbraw/zinc/27/59/35/315275935.db2.gz AORCREMLHGCDGY-UHFFFAOYSA-N 1 0 347.375 2.073 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000449201061 315431685 /nfs/dbraw/zinc/43/16/85/315431685.db2.gz HXHYLWQMAHPCGR-CHWSQXEVSA-N 1 0 333.388 2.065 20 5 EEBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493057423 315866362 /nfs/dbraw/zinc/86/63/62/315866362.db2.gz UYJKMZJOVNASPJ-UWUBPMADSA-N 1 0 329.400 2.456 20 5 EEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525726804 317070807 /nfs/dbraw/zinc/07/08/07/317070807.db2.gz WYPJLVVNMSUKBJ-AWEZNQCLSA-N 1 0 335.404 2.089 20 5 EEBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536862648 318011639 /nfs/dbraw/zinc/01/16/39/318011639.db2.gz KHXLBFHIRHMLBU-STQMWFEESA-N 1 0 341.433 2.041 20 5 EEBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539043363 318050901 /nfs/dbraw/zinc/05/09/01/318050901.db2.gz BOACOKLOCISNHZ-DOMZBBRYSA-N 1 0 341.433 2.041 20 5 EEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543751951 318171720 /nfs/dbraw/zinc/17/17/20/318171720.db2.gz XJPXXVZDKCDQNU-OLZOCXBDSA-N 1 0 334.420 2.316 20 5 EEBDRO Cc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000565244121 319166000 /nfs/dbraw/zinc/16/60/00/319166000.db2.gz FHRIUNLQBCRFST-CYBMUJFWSA-N 1 0 341.433 2.022 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCSC1 ZINC000566129348 319249062 /nfs/dbraw/zinc/24/90/62/319249062.db2.gz CPWCTDPJCOZAMP-QWHCGFSZSA-N 1 0 326.418 2.067 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000575356058 320102976 /nfs/dbraw/zinc/10/29/76/320102976.db2.gz ULOYIXZVNMOYQR-OAHLLOKOSA-N 1 0 346.383 2.441 20 5 EEBDRO O=C1C[C@@H]([N@@H+]2CC[C@H](CC3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000575476545 320106428 /nfs/dbraw/zinc/10/64/28/320106428.db2.gz LNRIGDXQUKVTEZ-CZUORRHYSA-N 1 0 343.383 2.349 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000576813016 320206025 /nfs/dbraw/zinc/20/60/25/320206025.db2.gz UQBQKPHYSBSFKK-UUMMVJRDSA-N 1 0 348.447 2.348 20 5 EEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435859 320314004 /nfs/dbraw/zinc/31/40/04/320314004.db2.gz UZECUUGLRTZUQO-OCCSQVGLSA-N 1 0 326.393 2.128 20 5 EEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000581427889 324251825 /nfs/dbraw/zinc/25/18/25/324251825.db2.gz RGPKPIPFFJESPB-CHWSQXEVSA-N 1 0 337.424 2.130 20 5 EEBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000341272358 465086750 /nfs/dbraw/zinc/08/67/50/465086750.db2.gz XUDGHUHJSUHWCP-MNOVXSKESA-N 1 0 343.811 2.329 20 5 EEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000358443541 465126443 /nfs/dbraw/zinc/12/64/43/465126443.db2.gz LOBYMBVNPCFPTP-CQSZACIVSA-N 1 0 334.420 2.434 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296251491 465130270 /nfs/dbraw/zinc/13/02/70/465130270.db2.gz XLBDIOKYURLSKO-ZIAGYGMSSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000347668525 465160144 /nfs/dbraw/zinc/16/01/44/465160144.db2.gz RFBJOINIDLFKDR-OAHLLOKOSA-N 1 0 335.404 2.212 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000354810600 465165666 /nfs/dbraw/zinc/16/56/66/465165666.db2.gz KVQBASUFVQENOQ-GVXVVHGQSA-N 1 0 335.408 2.104 20 5 EEBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000354810605 465166456 /nfs/dbraw/zinc/16/64/56/465166456.db2.gz KVQBASUFVQENOQ-WZRBSPASSA-N 1 0 335.408 2.104 20 5 EEBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354826601 465175554 /nfs/dbraw/zinc/17/55/54/465175554.db2.gz IOPDSGHWZFIXOQ-BFQNTYOBSA-N 1 0 348.378 2.299 20 5 EEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000351494981 465183463 /nfs/dbraw/zinc/18/34/63/465183463.db2.gz PDFNMQVPCPLOOK-NVXWUHKLSA-N 1 0 335.404 2.373 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000337434356 465367174 /nfs/dbraw/zinc/36/71/74/465367174.db2.gz WLVFHYXUADIEQT-NWDGAFQWSA-N 1 0 327.812 2.135 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000590665782 468299013 /nfs/dbraw/zinc/29/90/13/468299013.db2.gz ICWYPUNHFNIUJO-LLVKDONJSA-N 1 0 339.367 2.345 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000087005847 462583096 /nfs/dbraw/zinc/58/30/96/462583096.db2.gz QGODVANEOANESI-UHFFFAOYSA-N 1 0 340.383 2.271 20 5 EEBDRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000114200000 462631785 /nfs/dbraw/zinc/63/17/85/462631785.db2.gz HBTQNAMUJKMPCC-LLVKDONJSA-N 1 0 340.811 2.070 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000088703240 462642616 /nfs/dbraw/zinc/64/26/16/462642616.db2.gz DDFBAXFLKSAEKJ-UHFFFAOYSA-N 1 0 332.448 2.367 20 5 EEBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114460263 462649242 /nfs/dbraw/zinc/64/92/42/462649242.db2.gz XZKHURBPKTUUCO-JKSUJKDBSA-N 1 0 335.404 2.183 20 5 EEBDRO Cc1ccnc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089643922 462703559 /nfs/dbraw/zinc/70/35/59/462703559.db2.gz LMSLVWAGJLSRCI-CVEARBPZSA-N 1 0 342.399 2.346 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089930682 462745825 /nfs/dbraw/zinc/74/58/25/462745825.db2.gz NYDHJRBZCLEPKN-KGLIPLIRSA-N 1 0 335.404 2.325 20 5 EEBDRO C[NH+](C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116714045 462770093 /nfs/dbraw/zinc/77/00/93/462770093.db2.gz CIHPTMBXSDHTSR-UHFFFAOYSA-N 1 0 329.784 2.085 20 5 EEBDRO CCC[N@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000047496519 462790396 /nfs/dbraw/zinc/79/03/96/462790396.db2.gz ZDYVTWWOOTUHPA-UHFFFAOYSA-N 1 0 334.319 2.409 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000090466244 462792743 /nfs/dbraw/zinc/79/27/43/462792743.db2.gz IJYWVADMYUXBKE-JSGCOSHPSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccn2)cc1 ZINC000090538933 462796493 /nfs/dbraw/zinc/79/64/93/462796493.db2.gz JNSTXPZZVFYOHO-ZDUSSCGKSA-N 1 0 326.360 2.328 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000012141697 462844877 /nfs/dbraw/zinc/84/48/77/462844877.db2.gz SMRRBSGBWQVQQJ-UHFFFAOYSA-N 1 0 343.449 2.300 20 5 EEBDRO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000076348155 462846425 /nfs/dbraw/zinc/84/64/25/462846425.db2.gz WQIOJGOVWDFLRX-CYBMUJFWSA-N 1 0 337.376 2.043 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000155614392 462918437 /nfs/dbraw/zinc/91/84/37/462918437.db2.gz MPFOQQHGMQACAO-AWEZNQCLSA-N 1 0 331.376 2.109 20 5 EEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590752574 468326507 /nfs/dbraw/zinc/32/65/07/468326507.db2.gz NYACACWUZKZTEP-SCRDCRAPSA-N 1 0 349.387 2.162 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000119983751 462948626 /nfs/dbraw/zinc/94/86/26/462948626.db2.gz KVUXAVPCWGHATF-UHFFFAOYSA-N 1 0 344.209 2.347 20 5 EEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000077236652 462957483 /nfs/dbraw/zinc/95/74/83/462957483.db2.gz UHHBBAODMZDBRX-ZDUSSCGKSA-N 1 0 342.403 2.068 20 5 EEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067163118 462974425 /nfs/dbraw/zinc/97/44/25/462974425.db2.gz DSHOGYBQAQASFC-UHFFFAOYSA-N 1 0 345.403 2.241 20 5 EEBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067270854 462985168 /nfs/dbraw/zinc/98/51/68/462985168.db2.gz BFDUTYAZDDTOCN-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000018179117 463008299 /nfs/dbraw/zinc/00/82/99/463008299.db2.gz HVBUGJLTQXWJCF-HNNXBMFYSA-N 1 0 336.392 2.073 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)Cc2cccc(Cl)c2)n1 ZINC000134286573 463021891 /nfs/dbraw/zinc/02/18/91/463021891.db2.gz ZCIXHGZMKLYTNZ-UHFFFAOYSA-N 1 0 338.795 2.329 20 5 EEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000120890653 463051352 /nfs/dbraw/zinc/05/13/52/463051352.db2.gz QHMNFCCQSRCVCB-HIFRSBDPSA-N 1 0 334.420 2.195 20 5 EEBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000077929929 463073321 /nfs/dbraw/zinc/07/33/21/463073321.db2.gz DHZPXANLAWBDGQ-ZDUSSCGKSA-N 1 0 348.403 2.231 20 5 EEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000157093171 463097821 /nfs/dbraw/zinc/09/78/21/463097821.db2.gz JZGCGZHDFPUIRC-LLVKDONJSA-N 1 0 349.309 2.249 20 5 EEBDRO C[C@H]1C[NH+](CCCNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151781 463112124 /nfs/dbraw/zinc/11/21/24/463112124.db2.gz LTMNXQVLJIGEST-QWRGUYRKSA-N 1 0 339.421 2.215 20 5 EEBDRO C[N@H+](CCc1ccccc1)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000053048732 463128109 /nfs/dbraw/zinc/12/81/09/463128109.db2.gz GEUAWZFAONZXOC-UHFFFAOYSA-N 1 0 327.384 2.386 20 5 EEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157465506 463133903 /nfs/dbraw/zinc/13/39/03/463133903.db2.gz LSRIQXIWUKNMNX-QGZVFWFLSA-N 1 0 345.403 2.274 20 5 EEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068903111 463188214 /nfs/dbraw/zinc/18/82/14/463188214.db2.gz WBAZVBQMMWPREJ-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068902409 463188319 /nfs/dbraw/zinc/18/83/19/463188319.db2.gz VHNQTUMSKUZGQY-UHFFFAOYSA-N 1 0 341.433 2.138 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140000025 463334765 /nfs/dbraw/zinc/33/47/65/463334765.db2.gz MTFYVIBNGJBYCB-JJRVBVJISA-N 1 0 346.431 2.338 20 5 EEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000536478872 468352307 /nfs/dbraw/zinc/35/23/07/468352307.db2.gz XGQHWAYTLCYCNL-LBPRGKRZSA-N 1 0 328.372 2.386 20 5 EEBDRO Cc1c(CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000124799535 463465452 /nfs/dbraw/zinc/46/54/52/463465452.db2.gz GXLAXYVDHOANAP-HNNXBMFYSA-N 1 0 331.416 2.390 20 5 EEBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000125352142 463533656 /nfs/dbraw/zinc/53/36/56/463533656.db2.gz OSSIPKKSLYDPPS-WBMJQRKESA-N 1 0 333.388 2.105 20 5 EEBDRO O=C(CC[N@@H+]1CCC2(C1)CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000072899298 463560897 /nfs/dbraw/zinc/56/08/97/463560897.db2.gz FMFGHRRHHNHHCC-UHFFFAOYSA-N 1 0 333.388 2.426 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000059984945 463647607 /nfs/dbraw/zinc/64/76/07/463647607.db2.gz LPFXOXPSVKNGEH-INIZCTEOSA-N 1 0 334.420 2.487 20 5 EEBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000152237729 463665519 /nfs/dbraw/zinc/66/55/19/463665519.db2.gz YHIGVFBBLRSFFL-UHFFFAOYSA-N 1 0 346.431 2.267 20 5 EEBDRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000185041638 463741085 /nfs/dbraw/zinc/74/10/85/463741085.db2.gz ONANZYBCDJEJHQ-VXGBXAGGSA-N 1 0 337.401 2.450 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193822577 463745212 /nfs/dbraw/zinc/74/52/12/463745212.db2.gz NVIPGHYRJFNIDY-UHFFFAOYSA-N 1 0 346.431 2.311 20 5 EEBDRO Cc1c(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000261640127 463812044 /nfs/dbraw/zinc/81/20/44/463812044.db2.gz IITFPMKVOUMYKL-MRXNPFEDSA-N 1 0 325.368 2.234 20 5 EEBDRO C[NH2+]CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000261969055 463913565 /nfs/dbraw/zinc/91/35/65/463913565.db2.gz CHQGODOLOOJWSM-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262073744 463940743 /nfs/dbraw/zinc/94/07/43/463940743.db2.gz GIMLUJCYACAYDJ-UHFFFAOYSA-N 1 0 349.840 2.162 20 5 EEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000568770087 468386170 /nfs/dbraw/zinc/38/61/70/468386170.db2.gz OXRJGWAESHIFCL-TXEJJXNPSA-N 1 0 331.372 2.169 20 5 EEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262200166 463970899 /nfs/dbraw/zinc/97/08/99/463970899.db2.gz KJJROWYVKATFNB-GJZGRUSLSA-N 1 0 346.431 2.151 20 5 EEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178790067 463975240 /nfs/dbraw/zinc/97/52/40/463975240.db2.gz IHSAFHHCCZEXRG-NSHDSACASA-N 1 0 332.385 2.200 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269449510 463988327 /nfs/dbraw/zinc/98/83/27/463988327.db2.gz GCJYIUMZYZMYPY-NEPJUHHUSA-N 1 0 335.408 2.140 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262725913 464038952 /nfs/dbraw/zinc/03/89/52/464038952.db2.gz ACEXLYLVOJQSQE-TZMCWYRMSA-N 1 0 341.433 2.102 20 5 EEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CC1 ZINC000279190119 464057998 /nfs/dbraw/zinc/05/79/98/464057998.db2.gz LIXAAQSHMHLCQI-UHFFFAOYSA-N 1 0 338.383 2.014 20 5 EEBDRO CC(C)CCOC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179199109 464080462 /nfs/dbraw/zinc/08/04/62/464080462.db2.gz XUMXACHOSLLKIQ-UHFFFAOYSA-N 1 0 337.420 2.284 20 5 EEBDRO COc1ccc(C[N@H+](C)CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000279713276 464132359 /nfs/dbraw/zinc/13/23/59/464132359.db2.gz KSFWGQLLSZLIJI-UHFFFAOYSA-N 1 0 337.420 2.146 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284291423 464139059 /nfs/dbraw/zinc/13/90/59/464139059.db2.gz GCZUMRSFMXBDGF-NSHDSACASA-N 1 0 338.383 2.024 20 5 EEBDRO CCCc1n[nH]c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000172839723 464152202 /nfs/dbraw/zinc/15/22/02/464152202.db2.gz BLDYXTMOSILGFE-GFCCVEGCSA-N 1 0 337.424 2.217 20 5 EEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759215 464182007 /nfs/dbraw/zinc/18/20/07/464182007.db2.gz NHDAPWZXUGJMAP-GFCCVEGCSA-N 1 0 343.387 2.491 20 5 EEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179759389 464182629 /nfs/dbraw/zinc/18/26/29/464182629.db2.gz KHAMURPMFUYONJ-GFCCVEGCSA-N 1 0 343.387 2.491 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237397713 464313687 /nfs/dbraw/zinc/31/36/87/464313687.db2.gz ACEXLYLVOJQSQE-OCCSQVGLSA-N 1 0 341.433 2.102 20 5 EEBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccs1 ZINC000180596144 464345434 /nfs/dbraw/zinc/34/54/34/464345434.db2.gz GCXFIUYNQDAWPH-GFCCVEGCSA-N 1 0 334.401 2.271 20 5 EEBDRO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000237811558 464382830 /nfs/dbraw/zinc/38/28/30/464382830.db2.gz WULCRXZIDZRPBH-UHFFFAOYSA-N 1 0 332.404 2.006 20 5 EEBDRO CC(C)c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188925312 464397210 /nfs/dbraw/zinc/39/72/10/464397210.db2.gz WAFBCVAXNBGGJH-UHFFFAOYSA-N 1 0 348.447 2.086 20 5 EEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264620837 464398857 /nfs/dbraw/zinc/39/88/57/464398857.db2.gz RMGLWSREPOGXQH-CABCVRRESA-N 1 0 346.431 2.482 20 5 EEBDRO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000294266869 464449792 /nfs/dbraw/zinc/44/97/92/464449792.db2.gz PTRLCVKKIQBVOE-NEPJUHHUSA-N 1 0 325.434 2.389 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272133539 464490115 /nfs/dbraw/zinc/49/01/15/464490115.db2.gz XKTYFPPSRVWKAA-UONOGXRCSA-N 1 0 339.342 2.430 20 5 EEBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000294407949 464491923 /nfs/dbraw/zinc/49/19/23/464491923.db2.gz AMEYEAFUDZTUEV-LBPRGKRZSA-N 1 0 333.388 2.157 20 5 EEBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272233823 464528817 /nfs/dbraw/zinc/52/88/17/464528817.db2.gz VCCFDQFFSQRFFM-CXAGYDPISA-N 1 0 346.431 2.263 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272255713 464539784 /nfs/dbraw/zinc/53/97/84/464539784.db2.gz WBIPSAXVBNUTHC-UHFFFAOYSA-N 1 0 331.319 2.266 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000285372555 464541230 /nfs/dbraw/zinc/54/12/30/464541230.db2.gz CEQRQNSUPAWZFD-UHFFFAOYSA-N 1 0 346.330 2.217 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272291554 464550138 /nfs/dbraw/zinc/55/01/38/464550138.db2.gz FPXGNYYFXZWFJR-LLVKDONJSA-N 1 0 349.416 2.156 20 5 EEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000272299241 464555049 /nfs/dbraw/zinc/55/50/49/464555049.db2.gz QHUDPVONQMEAGT-STQMWFEESA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000272302400 464555984 /nfs/dbraw/zinc/55/59/84/464555984.db2.gz WYLHUMFOJBGQQE-JSGCOSHPSA-N 1 0 344.371 2.156 20 5 EEBDRO NC(=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182059870 464562017 /nfs/dbraw/zinc/56/20/17/464562017.db2.gz LLTCFLWCNVRKHB-MRXNPFEDSA-N 1 0 335.404 2.388 20 5 EEBDRO CCO[C@H]1C[C@](CO)([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000189971498 464575198 /nfs/dbraw/zinc/57/51/98/464575198.db2.gz NTMNHHZOYFBRQN-DOTOQJQBSA-N 1 0 338.404 2.129 20 5 EEBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285631593 464635101 /nfs/dbraw/zinc/63/51/01/464635101.db2.gz KUBACLNVYKLQSQ-COXVUDFISA-N 1 0 330.388 2.235 20 5 EEBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247655744 464700417 /nfs/dbraw/zinc/70/04/17/464700417.db2.gz POYSEDFJZFBXMQ-SJLPKXTDSA-N 1 0 346.431 2.495 20 5 EEBDRO COCC[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274845724 464756946 /nfs/dbraw/zinc/75/69/46/464756946.db2.gz PUOISIFYZHMOKH-ZDUSSCGKSA-N 1 0 347.419 2.408 20 5 EEBDRO COc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191246780 464806781 /nfs/dbraw/zinc/80/67/81/464806781.db2.gz FNEOSCKSOAESRW-CQSZACIVSA-N 1 0 335.404 2.468 20 5 EEBDRO C[C@H](c1ccccc1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266750729 464808333 /nfs/dbraw/zinc/80/83/33/464808333.db2.gz PRYWAFCQXGYRTC-CXAGYDPISA-N 1 0 330.388 2.378 20 5 EEBDRO Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286225308 464845896 /nfs/dbraw/zinc/84/58/96/464845896.db2.gz CIDDBLYSVUQVQI-GOOCMWNKSA-N 1 0 346.431 2.399 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000192071510 464859936 /nfs/dbraw/zinc/85/99/36/464859936.db2.gz QWIYHTSPKPOABK-UHFFFAOYSA-N 1 0 343.449 2.172 20 5 EEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266896363 464862310 /nfs/dbraw/zinc/86/23/10/464862310.db2.gz SIXIDGRMTFKIBJ-GFCCVEGCSA-N 1 0 349.412 2.354 20 5 EEBDRO Nc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000176916726 464885435 /nfs/dbraw/zinc/88/54/35/464885435.db2.gz LIPLAPFFTVIILF-ZDUSSCGKSA-N 1 0 332.404 2.125 20 5 EEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000183646942 464891312 /nfs/dbraw/zinc/89/13/12/464891312.db2.gz YOOXVSLCEOPWGX-CYBMUJFWSA-N 1 0 333.392 2.376 20 5 EEBDRO O=[N+]([O-])c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000276335065 464894708 /nfs/dbraw/zinc/89/47/08/464894708.db2.gz RTPROVWELBZLBE-UHFFFAOYSA-N 1 0 337.395 2.278 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000276409585 464921132 /nfs/dbraw/zinc/92/11/32/464921132.db2.gz HSKFSYUJXQSGIC-UHFFFAOYSA-N 1 0 337.424 2.389 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177128795 464938121 /nfs/dbraw/zinc/93/81/21/464938121.db2.gz UMRKFYMETWLOFH-MWLCHTKSSA-N 1 0 348.359 2.166 20 5 EEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286559339 464960422 /nfs/dbraw/zinc/96/04/22/464960422.db2.gz TUGZQNNHUDZCAX-GDBMZVCRSA-N 1 0 335.404 2.009 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295898720 464999247 /nfs/dbraw/zinc/99/92/47/464999247.db2.gz IHVAYGVMELNKMV-ZDUSSCGKSA-N 1 0 337.420 2.101 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000282925268 465004593 /nfs/dbraw/zinc/00/45/93/465004593.db2.gz WROVMWGMCRZXMT-WFASDCNBSA-N 1 0 335.404 2.406 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCCC2)n1 ZINC000286721177 465014212 /nfs/dbraw/zinc/01/42/12/465014212.db2.gz DCIBUAAKEXJSFT-UHFFFAOYSA-N 1 0 336.392 2.453 20 5 EEBDRO COc1ccc(CC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593914529 468431634 /nfs/dbraw/zinc/43/16/34/468431634.db2.gz CZISWEDVQDIQHT-GXTWGEPZSA-N 1 0 335.404 2.122 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339762093 465495460 /nfs/dbraw/zinc/49/54/60/465495460.db2.gz IUBHFAWYAYBADF-IRXDYDNUSA-N 1 0 336.388 2.013 20 5 EEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000353093045 465632543 /nfs/dbraw/zinc/63/25/43/465632543.db2.gz RXMKBYMLVKKZAA-GFCCVEGCSA-N 1 0 343.387 2.273 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348519734 465648157 /nfs/dbraw/zinc/64/81/57/465648157.db2.gz FTRXESYJJLTTFE-MDZLAQPJSA-N 1 0 346.330 2.084 20 5 EEBDRO CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000299220398 465651927 /nfs/dbraw/zinc/65/19/27/465651927.db2.gz WXTBUSIABRUIEW-UHFFFAOYSA-N 1 0 347.824 2.011 20 5 EEBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000330602354 465726684 /nfs/dbraw/zinc/72/66/84/465726684.db2.gz WMGCVQPAINMGLN-MNOVXSKESA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330615631 465733227 /nfs/dbraw/zinc/73/32/27/465733227.db2.gz UUBMJSKVTYDZCC-WDEREUQCSA-N 1 0 325.796 2.342 20 5 EEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000348683240 465740971 /nfs/dbraw/zinc/74/09/71/465740971.db2.gz OFXLVAUPXAWQDI-INIZCTEOSA-N 1 0 349.435 2.180 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357082132 465753689 /nfs/dbraw/zinc/75/36/89/465753689.db2.gz OSFDQLXAEWYOMJ-HNNXBMFYSA-N 1 0 346.431 2.163 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088617 465761591 /nfs/dbraw/zinc/76/15/91/465761591.db2.gz SYECEAVKQXDNLK-ZFWWWQNUSA-N 1 0 346.431 2.243 20 5 EEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361117793 465774904 /nfs/dbraw/zinc/77/49/04/465774904.db2.gz OLVXQRQQVARSSX-HIFRSBDPSA-N 1 0 337.807 2.295 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000591352852 468455728 /nfs/dbraw/zinc/45/57/28/468455728.db2.gz ILMRZYZWAYQBLE-AWEZNQCLSA-N 1 0 349.435 2.147 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000345191152 465840122 /nfs/dbraw/zinc/84/01/22/465840122.db2.gz PHJOIGHWNPCFGZ-NWDGAFQWSA-N 1 0 336.392 2.085 20 5 EEBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253820 465865327 /nfs/dbraw/zinc/86/53/27/465865327.db2.gz USKVEPOSFGAIBK-NWDGAFQWSA-N 1 0 331.376 2.298 20 5 EEBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000361253822 465865406 /nfs/dbraw/zinc/86/54/06/465865406.db2.gz USKVEPOSFGAIBK-VXGBXAGGSA-N 1 0 331.376 2.298 20 5 EEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345668315 465890135 /nfs/dbraw/zinc/89/01/35/465890135.db2.gz SGAMTCHLEOELCS-GFCCVEGCSA-N 1 0 328.372 2.309 20 5 EEBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371626979 465908188 /nfs/dbraw/zinc/90/81/88/465908188.db2.gz HKRAXNYHQLRGGQ-CQSZACIVSA-N 1 0 340.383 2.062 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCCC[C@H]3CO)n2)cc1 ZINC000594016704 468460912 /nfs/dbraw/zinc/46/09/12/468460912.db2.gz FFKLLERBIQZOKH-AWEZNQCLSA-N 1 0 332.360 2.382 20 5 EEBDRO COCCC[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000357320126 465946676 /nfs/dbraw/zinc/94/66/76/465946676.db2.gz COFIVQYBQOHEDE-UHFFFAOYSA-N 1 0 345.403 2.451 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301861652 466048404 /nfs/dbraw/zinc/04/84/04/466048404.db2.gz DUROEIABPCFHOU-NWDGAFQWSA-N 1 0 341.433 2.283 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)c1 ZINC000302082127 466094536 /nfs/dbraw/zinc/09/45/36/466094536.db2.gz JLFPJOAHJOWTRQ-UHFFFAOYSA-N 1 0 333.388 2.446 20 5 EEBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000346830815 466183087 /nfs/dbraw/zinc/18/30/87/466183087.db2.gz PDPSBJNKFLYSQF-ZWKOPEQDSA-N 1 0 327.331 2.365 20 5 EEBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361658306 466183343 /nfs/dbraw/zinc/18/33/43/466183343.db2.gz FKTQPQXOSPVKOX-SWLSCSKDSA-N 1 0 330.388 2.056 20 5 EEBDRO CC[NH+]1CCC(N(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000332310926 466501772 /nfs/dbraw/zinc/50/17/72/466501772.db2.gz XLXRLWHVUFISPW-UHFFFAOYSA-N 1 0 331.376 2.027 20 5 EEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000338955838 466521221 /nfs/dbraw/zinc/52/12/21/466521221.db2.gz XZWHBIYDBONKKC-LLVKDONJSA-N 1 0 345.355 2.184 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000332363068 466526588 /nfs/dbraw/zinc/52/65/88/466526588.db2.gz QZPLZDYZNOVNMA-CQSZACIVSA-N 1 0 334.420 2.258 20 5 EEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358265106 466580530 /nfs/dbraw/zinc/58/05/30/466580530.db2.gz JCFALFVJFLCKGE-OAGGEKHMSA-N 1 0 331.416 2.420 20 5 EEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362148281 466588657 /nfs/dbraw/zinc/58/86/57/466588657.db2.gz ISARMKMECOADIK-SWLSCSKDSA-N 1 0 335.404 2.331 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365192769 466740026 /nfs/dbraw/zinc/74/00/26/466740026.db2.gz XWVPVEGWIUHOEN-DOMZBBRYSA-N 1 0 339.779 2.344 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000370287838 466825970 /nfs/dbraw/zinc/82/59/70/466825970.db2.gz KCMVUJCOXSGPJW-HUUCEWRRSA-N 1 0 333.388 2.237 20 5 EEBDRO C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC000423823540 466858520 /nfs/dbraw/zinc/85/85/20/466858520.db2.gz IETUEHCKJKASHV-SJCJKPOMSA-N 1 0 340.383 2.211 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423942535 466922537 /nfs/dbraw/zinc/92/25/37/466922537.db2.gz FBZDHPRRYIROBO-ZANVPECISA-N 1 0 341.795 2.211 20 5 EEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000423982688 466936502 /nfs/dbraw/zinc/93/65/02/466936502.db2.gz RYAIFUHAFQRNTN-OAHLLOKOSA-N 1 0 342.399 2.385 20 5 EEBDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709878 466974706 /nfs/dbraw/zinc/97/47/06/466974706.db2.gz RVTGAQBOCIGCGN-SJLPKXTDSA-N 1 0 346.475 2.361 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412186953 467034499 /nfs/dbraw/zinc/03/44/99/467034499.db2.gz TWMZBRMYOGDVBN-IAOMBJDPSA-N 1 0 329.400 2.297 20 5 EEBDRO Cc1c(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000418076164 467039305 /nfs/dbraw/zinc/03/93/05/467039305.db2.gz GDPYPPYXMJRUTA-HDJSIYSDSA-N 1 0 334.420 2.468 20 5 EEBDRO O=C(CN1CCC[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000377541445 467082839 /nfs/dbraw/zinc/08/28/39/467082839.db2.gz CZGDKAMUSIZASY-LBPRGKRZSA-N 1 0 333.344 2.136 20 5 EEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418347428 467095811 /nfs/dbraw/zinc/09/58/11/467095811.db2.gz VLYUHQZNFLBYDL-CYBMUJFWSA-N 1 0 332.404 2.268 20 5 EEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377750677 467132717 /nfs/dbraw/zinc/13/27/17/467132717.db2.gz YFICKSGZSCPBDW-DWTRPJMMSA-N 1 0 329.400 2.456 20 5 EEBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CC(C)(C)O ZINC000413253000 467197601 /nfs/dbraw/zinc/19/76/01/467197601.db2.gz XYIDLDGJKAUGQI-ZDUSSCGKSA-N 1 0 344.415 2.424 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413302928 467211123 /nfs/dbraw/zinc/21/11/23/467211123.db2.gz PHSMLFZTNORNLU-UHFFFAOYSA-N 1 0 345.447 2.463 20 5 EEBDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000428441569 467234272 /nfs/dbraw/zinc/23/42/72/467234272.db2.gz WQDXWJYPZLMZRU-LLVKDONJSA-N 1 0 332.385 2.152 20 5 EEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000378271877 467248632 /nfs/dbraw/zinc/24/86/32/467248632.db2.gz JLZLRDUXUDWZSD-OAHLLOKOSA-N 1 0 342.399 2.315 20 5 EEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000428960559 467283727 /nfs/dbraw/zinc/28/37/27/467283727.db2.gz CISYCPYTTWNCKR-CMPLNLGQSA-N 1 0 325.796 2.295 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452096150 467320939 /nfs/dbraw/zinc/32/09/39/467320939.db2.gz NDKVFLBDXWCRCJ-CQSZACIVSA-N 1 0 341.433 2.006 20 5 EEBDRO COc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000378519301 467329247 /nfs/dbraw/zinc/32/92/47/467329247.db2.gz UMUSIBHEYJWRMH-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420258778 467331933 /nfs/dbraw/zinc/33/19/33/467331933.db2.gz LOQBGFMKLHKSBL-CABCVRRESA-N 1 0 339.399 2.406 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433562553 467339596 /nfs/dbraw/zinc/33/95/96/467339596.db2.gz AZBQEAWSDZMXKG-KRWDZBQOSA-N 1 0 346.431 2.453 20 5 EEBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000414141579 467382931 /nfs/dbraw/zinc/38/29/31/467382931.db2.gz JUXCHIZYEICBGU-HZPDHXFCSA-N 1 0 336.436 2.443 20 5 EEBDRO COc1ccc(OCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420386475 467389919 /nfs/dbraw/zinc/38/99/19/467389919.db2.gz FWKPUMUEQYISPN-HOCLYGCPSA-N 1 0 349.431 2.446 20 5 EEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000430203371 467407759 /nfs/dbraw/zinc/40/77/59/467407759.db2.gz FHNSNSYIYKHLQO-CQSZACIVSA-N 1 0 342.417 2.003 20 5 EEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434704760 467421886 /nfs/dbraw/zinc/42/18/86/467421886.db2.gz ZHDIUWMSSOSAPS-MXWKQRLJSA-N 1 0 341.795 2.224 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+](C4CC4)C3)cc2N1 ZINC000392350474 467426402 /nfs/dbraw/zinc/42/64/02/467426402.db2.gz MMMMBGCFVPROKY-LLVKDONJSA-N 1 0 330.388 2.376 20 5 EEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414664112 467426904 /nfs/dbraw/zinc/42/69/04/467426904.db2.gz TUNTTYXQUPRVHD-HOTGVXAUSA-N 1 0 348.403 2.345 20 5 EEBDRO CC(C)NC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420633545 467438281 /nfs/dbraw/zinc/43/82/81/467438281.db2.gz JLDSBDLJUJXUOO-CQSZACIVSA-N 1 0 334.420 2.263 20 5 EEBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000435379715 467465369 /nfs/dbraw/zinc/46/53/69/467465369.db2.gz KHRAZUHEADHADO-WBMJQRKESA-N 1 0 329.404 2.164 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435392515 467466522 /nfs/dbraw/zinc/46/65/22/467466522.db2.gz WVNSQOBLAGMMQY-ZDUSSCGKSA-N 1 0 329.404 2.037 20 5 EEBDRO CCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431360692 467511292 /nfs/dbraw/zinc/51/12/92/467511292.db2.gz BFJCZMSRXSFRAU-UHFFFAOYSA-N 1 0 335.404 2.273 20 5 EEBDRO CNc1nc(C(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000454291162 467581985 /nfs/dbraw/zinc/58/19/85/467581985.db2.gz ANHHHMRMKFAOMY-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449565653 467662671 /nfs/dbraw/zinc/66/26/71/467662671.db2.gz KYOBLVRQVDRPAC-QMMMGPOBSA-N 1 0 330.182 2.215 20 5 EEBDRO COc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450587972 467874554 /nfs/dbraw/zinc/87/45/54/467874554.db2.gz AMWJRLQBXCJSFK-NSHDSACASA-N 1 0 327.356 2.001 20 5 EEBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000532981337 468156286 /nfs/dbraw/zinc/15/62/86/468156286.db2.gz HVYXQOGXHBBUHC-UHFFFAOYSA-N 1 0 331.376 2.272 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)OC ZINC000533020083 468162398 /nfs/dbraw/zinc/16/23/98/468162398.db2.gz CAMCQIBZLGTGDI-LLVKDONJSA-N 1 0 339.392 2.287 20 5 EEBDRO CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600310561 468529181 /nfs/dbraw/zinc/52/91/81/468529181.db2.gz KACCWOBYUQLEMS-CYBMUJFWSA-N 1 0 335.404 2.455 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597700535 468643803 /nfs/dbraw/zinc/64/38/03/468643803.db2.gz NFCHUGAWSIDYII-DOMZBBRYSA-N 1 0 330.388 2.101 20 5 EEBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000597704204 468644733 /nfs/dbraw/zinc/64/47/33/468644733.db2.gz NRIVRQAPTHIIFV-UHFFFAOYSA-N 1 0 335.408 2.045 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592255139 468665305 /nfs/dbraw/zinc/66/53/05/468665305.db2.gz MYOZJQRXTZEDSH-CHWSQXEVSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1c(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cccc1[N+](=O)[O-] ZINC000592476777 468706192 /nfs/dbraw/zinc/70/61/92/468706192.db2.gz YSRJWWPSQJFCKV-NSHDSACASA-N 1 0 329.360 2.188 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000583626025 468730717 /nfs/dbraw/zinc/73/07/17/468730717.db2.gz BPLJHDPRYZEEAS-QGZVFWFLSA-N 1 0 344.367 2.155 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598341983 468836797 /nfs/dbraw/zinc/83/67/97/468836797.db2.gz JTDSMLZFIVTPJX-JTQLQIEISA-N 1 0 343.330 2.410 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593076551 468861444 /nfs/dbraw/zinc/86/14/44/468861444.db2.gz LAOUXSDZPFWRQA-CYBMUJFWSA-N 1 0 342.342 2.456 20 5 EEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595473019 468866381 /nfs/dbraw/zinc/86/63/81/468866381.db2.gz SLSGEGJHNIUTOZ-INIZCTEOSA-N 1 0 337.395 2.421 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[NH+]1CCCCC1 ZINC000593111048 468874838 /nfs/dbraw/zinc/87/48/38/468874838.db2.gz BUSKYQHDPHKDKU-CQSZACIVSA-N 1 0 334.420 2.340 20 5 EEBDRO CCOc1cccc(CN(CCO)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595522526 468887677 /nfs/dbraw/zinc/88/76/77/468887677.db2.gz LLSFMEDRTOISBG-UHFFFAOYSA-N 1 0 335.360 2.284 20 5 EEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153530 468888691 /nfs/dbraw/zinc/88/86/91/468888691.db2.gz ONQYQGVJHLFODI-SWLSCSKDSA-N 1 0 335.379 2.362 20 5 EEBDRO COc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000598537790 468905898 /nfs/dbraw/zinc/90/58/98/468905898.db2.gz PPWAZTGQXRKQEY-UHFFFAOYSA-N 1 0 347.415 2.455 20 5 EEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598596650 468927163 /nfs/dbraw/zinc/92/71/63/468927163.db2.gz RHFUJGZQXUVNTA-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO CN(C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602628787 468975701 /nfs/dbraw/zinc/97/57/01/468975701.db2.gz LEFUBBCORLUEKU-UHFFFAOYSA-N 1 0 333.436 2.033 20 5 EEBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000610489154 468982376 /nfs/dbraw/zinc/98/23/76/468982376.db2.gz IBFVOCDFBHMWCM-CYBMUJFWSA-N 1 0 340.811 2.334 20 5 EEBDRO Cn1ccnc1[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000602678489 469006761 /nfs/dbraw/zinc/00/67/61/469006761.db2.gz CYATYVJCTGODFO-OAHLLOKOSA-N 1 0 332.404 2.220 20 5 EEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610576936 469007985 /nfs/dbraw/zinc/00/79/85/469007985.db2.gz JBOJNHVHEBFSOI-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000572953868 469026925 /nfs/dbraw/zinc/02/69/25/469026925.db2.gz ZIKREOIIGFEMCG-NSHDSACASA-N 1 0 348.371 2.394 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C(F)(F)F)CC2)cn1 ZINC000602740460 469045041 /nfs/dbraw/zinc/04/50/41/469045041.db2.gz CRSBYRXQRLCBCR-VXGBXAGGSA-N 1 0 330.310 2.499 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000598996458 469082033 /nfs/dbraw/zinc/08/20/33/469082033.db2.gz SLWPWTHMSHWAFZ-UHFFFAOYSA-N 1 0 345.355 2.140 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000595931689 469088857 /nfs/dbraw/zinc/08/88/57/469088857.db2.gz KBCDNGXFYXTHGB-UHFFFAOYSA-N 1 0 341.367 2.179 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)CC(F)F ZINC000599088574 469114990 /nfs/dbraw/zinc/11/49/90/469114990.db2.gz GXEPVSISCPCUJH-NSHDSACASA-N 1 0 344.362 2.098 20 5 EEBDRO CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)F ZINC000599093975 469117476 /nfs/dbraw/zinc/11/74/76/469117476.db2.gz CFPHPJDIFIRWQJ-VXGBXAGGSA-N 1 0 331.367 2.062 20 5 EEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000562977726 469120252 /nfs/dbraw/zinc/12/02/52/469120252.db2.gz LWADMYHASKALSF-OAHLLOKOSA-N 1 0 348.790 2.373 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Cc1ccccc1 ZINC000596056053 469131162 /nfs/dbraw/zinc/13/11/62/469131162.db2.gz VTUDHSJQDZQXCL-HNNXBMFYSA-N 1 0 342.399 2.279 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000611009316 469138503 /nfs/dbraw/zinc/13/85/03/469138503.db2.gz YEIHYCTZTNTYNG-UHFFFAOYSA-N 1 0 329.360 2.013 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611091840 469160410 /nfs/dbraw/zinc/16/04/10/469160410.db2.gz ZERORRWNNXRTRK-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000611092414 469160764 /nfs/dbraw/zinc/16/07/64/469160764.db2.gz SRKUMFAIISWVAU-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO O=C(CC[NH+]1CCC2(CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000611178325 469183168 /nfs/dbraw/zinc/18/31/68/469183168.db2.gz UQACUNZUICXHEO-UHFFFAOYSA-N 1 0 333.388 2.426 20 5 EEBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000611273636 469217096 /nfs/dbraw/zinc/21/70/96/469217096.db2.gz XAQMCLMTMHJHJM-AWEZNQCLSA-N 1 0 347.415 2.284 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000596561687 469301313 /nfs/dbraw/zinc/30/13/13/469301313.db2.gz FCZZWUUXOVSYQE-UHFFFAOYSA-N 1 0 348.403 2.310 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409428 469384437 /nfs/dbraw/zinc/38/44/37/469384437.db2.gz XGGNWJNFTWIMCC-UHFFFAOYSA-N 1 0 337.424 2.175 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000619491163 469623955 /nfs/dbraw/zinc/62/39/55/469623955.db2.gz OQAFFPBCLLZHGE-CHWSQXEVSA-N 1 0 339.465 2.136 20 5 EEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868426 469691267 /nfs/dbraw/zinc/69/12/67/469691267.db2.gz AZHIABCQOFIHQP-UHFFFAOYSA-N 1 0 347.415 2.308 20 5 EEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609290993 469913868 /nfs/dbraw/zinc/91/38/68/469913868.db2.gz HOCXAPGBUMNUHT-CQSZACIVSA-N 1 0 332.404 2.411 20 5 EEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609875606 469967150 /nfs/dbraw/zinc/96/71/50/469967150.db2.gz ZMGBOQPAEWFGEK-ZDUSSCGKSA-N 1 0 341.795 2.089 20 5 EEBDRO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369679 470008228 /nfs/dbraw/zinc/00/82/28/470008228.db2.gz WBJMTHOEPFXNDK-DOTOQJQBSA-N 1 0 330.388 2.162 20 5 EEBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC[C@@H]1O ZINC000602571282 485644510 /nfs/dbraw/zinc/64/45/10/485644510.db2.gz HITXUBSEBYAJBH-WMZOPIPTSA-N 1 0 348.447 2.489 20 5 EEBDRO [NH3+]C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414927847 534672872 /nfs/dbraw/zinc/67/28/72/534672872.db2.gz ADMOENKUCFWJAJ-SNVBAGLBSA-N 1 0 330.291 2.055 20 5 EEBDRO CC(C)OC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802818 528028069 /nfs/dbraw/zinc/02/80/69/528028069.db2.gz RGCPNKXQTAWCNJ-OAHLLOKOSA-N 1 0 338.404 2.224 20 5 EEBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000131702463 528272043 /nfs/dbraw/zinc/27/20/43/528272043.db2.gz GMRXCWKFPQJQGO-ZDUSSCGKSA-N 1 0 348.403 2.089 20 5 EEBDRO CCOc1ccc([C@H](C)[NH2+]CCCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000179418170 528605897 /nfs/dbraw/zinc/60/58/97/528605897.db2.gz YLOWSORMNXBIST-LBPRGKRZSA-N 1 0 337.376 2.486 20 5 EEBDRO CCOC(=O)CCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000132545357 528694645 /nfs/dbraw/zinc/69/46/45/528694645.db2.gz ITGJSGPPUOASAQ-UHFFFAOYSA-N 1 0 335.404 2.450 20 5 EEBDRO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c(-c2nn[nH]n2)c1 ZINC000738367595 578011024 /nfs/dbraw/zinc/01/10/24/578011024.db2.gz WEEIEBVGFXQSNH-UHFFFAOYSA-N 1 0 349.314 2.099 20 5 EEBDRO O=[N+]([O-])c1c(NCC2([NH+]3CCCC3)CCOCC2)nc2ccccn21 ZINC000729470571 576655966 /nfs/dbraw/zinc/65/59/66/576655966.db2.gz OLOPJYPTGKLYQJ-UHFFFAOYSA-N 1 0 345.403 2.299 20 5 EEBDRO Cn1nc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000731679121 577116363 /nfs/dbraw/zinc/11/63/63/577116363.db2.gz WPPODIAXDYQLJZ-QGZVFWFLSA-N 1 0 326.356 2.305 20 5 EEBDRO C[NH+](C)C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000732804453 577193132 /nfs/dbraw/zinc/19/31/32/577193132.db2.gz ZBYDQRQHTZXAOV-GFCCVEGCSA-N 1 0 332.404 2.258 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000776273951 577456236 /nfs/dbraw/zinc/45/62/36/577456236.db2.gz BSFMSHKXMWYPKJ-INIZCTEOSA-N 1 0 347.440 2.338 20 5 EEBDRO CCCC(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280091 577456655 /nfs/dbraw/zinc/45/66/55/577456655.db2.gz ZNNZCPGDULMUSV-INIZCTEOSA-N 1 0 335.404 2.009 20 5 EEBDRO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776579507 577463069 /nfs/dbraw/zinc/46/30/69/577463069.db2.gz MCACGCIJNKJHOL-DZGCQCFKSA-N 1 0 332.360 2.199 20 5 EEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccco1 ZINC000766180832 577514323 /nfs/dbraw/zinc/51/43/23/577514323.db2.gz ANNOGTBBANUVEY-YVEFUNNKSA-N 1 0 347.371 2.402 20 5 EEBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751941450 577762878 /nfs/dbraw/zinc/76/28/78/577762878.db2.gz OTTFKJLHHNMYJD-NWDGAFQWSA-N 1 0 332.360 2.051 20 5 EEBDRO CC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754373760 577805289 /nfs/dbraw/zinc/80/52/89/577805289.db2.gz QFLIPUZGHOWHGZ-NSHDSACASA-N 1 0 340.811 2.213 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000742242568 577869842 /nfs/dbraw/zinc/86/98/42/577869842.db2.gz YFFRJJAOLWUTFB-CQSZACIVSA-N 1 0 346.431 2.409 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000742397737 577872333 /nfs/dbraw/zinc/87/23/33/577872333.db2.gz LDSRQCJNSVABSQ-SECBINFHSA-N 1 0 326.353 2.056 20 5 EEBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000748735478 577966210 /nfs/dbraw/zinc/96/62/10/577966210.db2.gz IVNQZBUOTVZMFR-UHFFFAOYSA-N 1 0 344.371 2.370 20 5 EEBDRO CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](CC)CC ZINC000735990325 578176554 /nfs/dbraw/zinc/17/65/54/578176554.db2.gz BISNDNXJULMUGM-KRWDZBQOSA-N 1 0 348.447 2.364 20 5 EEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821189485 599379080 /nfs/dbraw/zinc/37/90/80/599379080.db2.gz MTAXYGAWBMTZGL-LLVKDONJSA-N 1 0 348.411 2.092 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821581489 606473841 /nfs/dbraw/zinc/47/38/41/606473841.db2.gz MONWXCBXQCHASO-VXGBXAGGSA-N 1 0 331.380 2.060 20 5 EEBDRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c(C)o1 ZINC001020809956 675507431 /nfs/dbraw/zinc/50/74/31/675507431.db2.gz PVKVRQZSQQGCIA-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001021773056 676432666 /nfs/dbraw/zinc/43/26/66/676432666.db2.gz JLDXXSHOUMJRTC-GASCZTMLSA-N 1 0 326.356 2.040 20 5 EEBDRO Cn1c2ccccc2c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1=O ZINC000891847332 676862450 /nfs/dbraw/zinc/86/24/50/676862450.db2.gz WZNANINQTRAKBD-UKRRQHHQSA-N 1 0 342.399 2.485 20 5 EEBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000891872176 676876004 /nfs/dbraw/zinc/87/60/04/676876004.db2.gz LNFHNPGCHOTWOK-UHFFFAOYSA-N 1 0 331.376 2.443 20 5 EEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3(C)CCC3)c2)CC1 ZINC000934045976 677768679 /nfs/dbraw/zinc/76/86/79/677768679.db2.gz UIBWGEYCSJHZMU-UHFFFAOYSA-N 1 0 347.419 2.411 20 5 EEBDRO O=C(Cc1cscn1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022817624 678598876 /nfs/dbraw/zinc/59/88/76/678598876.db2.gz WYHBKRJVKASKEF-BETUJISGSA-N 1 0 346.412 2.031 20 5 EEBDRO COc1cc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000178860637 681255248 /nfs/dbraw/zinc/25/52/48/681255248.db2.gz NXNLDKAWDXQHLM-MRXNPFEDSA-N 1 0 332.356 2.474 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310745713 681616532 /nfs/dbraw/zinc/61/65/32/681616532.db2.gz GZIAUSBMZCOCQI-IEBWSBKVSA-N 1 0 341.411 2.492 20 5 EEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccnc1 ZINC000983015389 681659841 /nfs/dbraw/zinc/65/98/41/681659841.db2.gz ISLUXPVNUKTJKV-SAZUREKKSA-N 1 0 340.383 2.288 20 5 EEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000894399172 682819789 /nfs/dbraw/zinc/81/97/89/682819789.db2.gz PPLHOBVWDFXXBP-LLVKDONJSA-N 1 0 348.790 2.052 20 5 EEBDRO C[C@@]1(NC(=O)CSc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892781370 683039455 /nfs/dbraw/zinc/03/94/55/683039455.db2.gz XATWDOPDQXBHQU-MRXNPFEDSA-N 1 0 335.429 2.287 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC=CC1 ZINC001025716591 683245256 /nfs/dbraw/zinc/24/52/56/683245256.db2.gz XOWTUWZHCPUAOV-FVQHAEBGSA-N 1 0 327.384 2.107 20 5 EEBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[NH2+]1 ZINC000895058089 683577262 /nfs/dbraw/zinc/57/72/62/683577262.db2.gz HYJUJVDOJKOTJH-CYBMUJFWSA-N 1 0 332.404 2.065 20 5 EEBDRO O=C(OCCOc1ccc([N+](=O)[O-])cc1)C12CCC[NH+](CCC1)C2 ZINC000893220755 684171357 /nfs/dbraw/zinc/17/13/57/684171357.db2.gz PGSYWWOANSADPV-UHFFFAOYSA-N 1 0 334.372 2.393 20 5 EEBDRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000893221557 684171919 /nfs/dbraw/zinc/17/19/19/684171919.db2.gz MTYHUPWAWQZMCO-HZSPNIEDSA-N 1 0 334.420 2.480 20 5 EEBDRO CC[N@H+](C)C[C@@H](O)COc1ccc(Br)c(C)c1[N+](=O)[O-] ZINC000312631712 684681855 /nfs/dbraw/zinc/68/18/55/684681855.db2.gz WGALZZHQGMZAMD-SNVBAGLBSA-N 1 0 347.209 2.357 20 5 EEBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159489895 1188739065 /nfs/dbraw/zinc/73/90/65/1188739065.db2.gz WLUSKLVXJAJDEB-NSHDSACASA-N 1 0 328.210 2.399 20 5 EEBDRO CCN(C(=O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000905520479 1189767286 /nfs/dbraw/zinc/76/72/86/1189767286.db2.gz ZSKDSBBSOJZQLB-QGZVFWFLSA-N 1 0 343.383 2.271 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2nc3c(s2)CCC3)cc1 ZINC000905569307 1189781304 /nfs/dbraw/zinc/78/13/04/1189781304.db2.gz QMTXYXDFAWUTGR-CQSZACIVSA-N 1 0 333.413 2.406 20 5 EEBDRO Cc1ccc(NCCCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676827 1199718136 /nfs/dbraw/zinc/71/81/36/1199718136.db2.gz ZBBVQMGSNRVGMM-LYASGUKUSA-N 1 0 346.431 2.377 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000876866320 1199799864 /nfs/dbraw/zinc/79/98/64/1199799864.db2.gz CUXXAMYVBYKFBI-PBHICJAKSA-N 1 0 347.415 2.180 20 5 EEBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000877095959 1199861417 /nfs/dbraw/zinc/86/14/17/1199861417.db2.gz WIHDCCBFRJQSNJ-MCIONIFRSA-N 1 0 348.447 2.496 20 5 EEBDRO Cc1cc(F)cc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000877343457 1199908740 /nfs/dbraw/zinc/90/87/40/1199908740.db2.gz YELGFKCSEXADIY-OAHLLOKOSA-N 1 0 343.358 2.487 20 5 EEBDRO CCCc1[nH]ccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132686552 1199927563 /nfs/dbraw/zinc/92/75/63/1199927563.db2.gz MTLICNHOGALAKB-UHFFFAOYSA-N 1 0 330.388 2.395 20 5 EEBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000870869209 1200921482 /nfs/dbraw/zinc/92/14/82/1200921482.db2.gz GBGZHQFWMDJJGA-SCLBCKFNSA-N 1 0 325.368 2.225 20 5 EEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469001 1201704831 /nfs/dbraw/zinc/70/48/31/1201704831.db2.gz GGGHVGFYGYMVGB-CYBMUJFWSA-N 1 0 339.417 2.030 20 5 EEBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000868076822 1201739009 /nfs/dbraw/zinc/73/90/09/1201739009.db2.gz KVVJZTVIUWWMIP-GFCCVEGCSA-N 1 0 346.156 2.060 20 5 EEBDRO O=C(OCCC[NH+]1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000800195544 1202219209 /nfs/dbraw/zinc/21/92/09/1202219209.db2.gz KFGFMHGQUYAYBE-UHFFFAOYSA-N 1 0 336.344 2.356 20 5 EEBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000800214997 1202221989 /nfs/dbraw/zinc/22/19/89/1202221989.db2.gz WZGZKTMVHHIGAN-UHFFFAOYSA-N 1 0 337.376 2.218 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1C ZINC000889338225 1204604556 /nfs/dbraw/zinc/60/45/56/1204604556.db2.gz ONULKPVKGPWSDW-UHFFFAOYSA-N 1 0 347.415 2.148 20 5 EEBDRO CN(C(=O)CN1CCC(c2ncco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000931447806 1207383884 /nfs/dbraw/zinc/38/38/84/1207383884.db2.gz XQHHKMVYOMVZRN-UHFFFAOYSA-N 1 0 344.371 2.425 20 5 EEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932901625 1207697375 /nfs/dbraw/zinc/69/73/75/1207697375.db2.gz ATLURFXDOAJNDH-IAOVAPTHSA-N 1 0 331.416 2.499 20 5 EEBDRO C[NH+](C)CC1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778273069 1208034281 /nfs/dbraw/zinc/03/42/81/1208034281.db2.gz NHHYWEUEWULOCV-UHFFFAOYSA-N 1 0 341.358 2.487 20 5 EEBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000246398015 1212445908 /nfs/dbraw/zinc/44/59/08/1212445908.db2.gz PURXPRQMKWLMFV-GOEBONIOSA-N 1 0 333.436 2.314 20 5 EEBDRO O=C(NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963790665 1218040938 /nfs/dbraw/zinc/04/09/38/1218040938.db2.gz KRGAMLBIIBUTGF-YVXVDGILSA-N 1 0 335.448 2.249 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140004 1229505725 /nfs/dbraw/zinc/50/57/25/1229505725.db2.gz TTWRULHWHMMYSJ-BRSBDYLESA-N 1 0 343.427 2.356 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900630809 1234586016 /nfs/dbraw/zinc/58/60/16/1234586016.db2.gz RXDVSTLMONENRQ-VIFPVBQESA-N 1 0 329.759 2.459 20 5 EEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801857156 1236301860 /nfs/dbraw/zinc/30/18/60/1236301860.db2.gz CUNDWMOWJAXLOH-UHFFFAOYSA-N 1 0 338.383 2.263 20 5 EEBDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000903376434 1240343387 /nfs/dbraw/zinc/34/33/87/1240343387.db2.gz DXWZAYWGUCRLER-ZDUSSCGKSA-N 1 0 336.388 2.294 20 5 EEBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC001097102655 1243702373 /nfs/dbraw/zinc/70/23/73/1243702373.db2.gz WJYNVDIYEDZQAL-JOCQHMNTSA-N 1 0 349.435 2.027 20 5 EEBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC001097245759 1243873839 /nfs/dbraw/zinc/87/38/39/1243873839.db2.gz UFZZHCQIWAACFL-OKILXGFUSA-N 1 0 346.431 2.304 20 5 EEBDRO CCCN(CCNC(=O)C[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1 ZINC001101151929 1245454918 /nfs/dbraw/zinc/45/49/18/1245454918.db2.gz HVFWTGARYIKYFE-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827462670 1248127708 /nfs/dbraw/zinc/12/77/08/1248127708.db2.gz LSVJQAQUMPAETF-YOEHRIQHSA-N 1 0 349.431 2.112 20 5 EEBDRO O=C(C1CCC1)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072386291 1255119745 /nfs/dbraw/zinc/11/97/45/1255119745.db2.gz AKTZUTMIYWOXTJ-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000850590481 1277273510 /nfs/dbraw/zinc/27/35/10/1277273510.db2.gz LCDMYNZIMUYUEB-UHFFFAOYSA-N 1 0 347.824 2.106 20 5 EEBDRO CC(C)c1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC001134754563 1278019037 /nfs/dbraw/zinc/01/90/37/1278019037.db2.gz UFTVOTAKBMUJDN-UHFFFAOYSA-N 1 0 332.360 2.226 20 5 EEBDRO COC(=O)[C@@H](C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000102653023 1284278504 /nfs/dbraw/zinc/27/85/04/1284278504.db2.gz KTGDFUPURJLFGW-NSHDSACASA-N 1 0 332.360 2.176 20 5 EEBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853496495 1292399186 /nfs/dbraw/zinc/39/91/86/1292399186.db2.gz GUOJKPRGERHZER-CYBMUJFWSA-N 1 0 331.376 2.169 20 5 EEBDRO Cc1cc(N2CC[C@@H](N3CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000853808126 1292462408 /nfs/dbraw/zinc/46/24/08/1292462408.db2.gz DLJNBFZMCVAJEF-CYBMUJFWSA-N 1 0 342.355 2.482 20 5 EEBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000858578108 1294159284 /nfs/dbraw/zinc/15/92/84/1294159284.db2.gz GXEWVRSTDTUWPF-YDHLFZDLSA-N 1 0 335.404 2.304 20 5 EEBDRO Cc1cc(C)cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1 ZINC001072724751 1296054980 /nfs/dbraw/zinc/05/49/80/1296054980.db2.gz CXSSBLUFRTXMKR-IAGOWNOFSA-N 1 0 343.427 2.003 20 5 EEBDRO C[C@]1(O)CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000794672757 1296513757 /nfs/dbraw/zinc/51/37/57/1296513757.db2.gz NNKSNRJXEQVELF-INIZCTEOSA-N 1 0 331.376 2.048 20 5 EEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC001226060987 1301249719 /nfs/dbraw/zinc/24/97/19/1301249719.db2.gz CJVJCKXKTTUIAR-AULYBMBSSA-N 1 0 342.417 2.250 20 5 EEBDRO COCCCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226483583 1301432470 /nfs/dbraw/zinc/43/24/70/1301432470.db2.gz YIALCHKKKVCVLD-UHFFFAOYSA-N 1 0 349.431 2.492 20 5 EEBDRO COc1cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)ncc1[N+](=O)[O-] ZINC001226576448 1301467729 /nfs/dbraw/zinc/46/77/29/1301467729.db2.gz QIZMNTBZMYNCEO-GFCCVEGCSA-N 1 0 337.376 2.021 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001226751598 1301539461 /nfs/dbraw/zinc/53/94/61/1301539461.db2.gz MNSGLQIVJMXSPH-OAHLLOKOSA-N 1 0 347.346 2.409 20 5 EEBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(I)n1 ZINC001226811666 1301565734 /nfs/dbraw/zinc/56/57/34/1301565734.db2.gz XHXDFVYUXJKEGG-SNVBAGLBSA-N 1 0 335.209 2.468 20 5 EEBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(C)c3)C[C@H]1[N@@H+]2C ZINC001226843136 1301579581 /nfs/dbraw/zinc/57/95/81/1301579581.db2.gz GQHVCLWTIFBRML-GUDXXQAFSA-N 1 0 334.372 2.449 20 5 EEBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228140006 1302121725 /nfs/dbraw/zinc/12/17/25/1302121725.db2.gz DIAIHHRJOZOCEI-RYUDHWBXSA-N 1 0 345.359 2.090 20 5 EEBDRO Cc1ccnc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CCC2)c1[N+](=O)[O-] ZINC001111815391 1303932688 /nfs/dbraw/zinc/93/26/88/1303932688.db2.gz HBKVBRPPZWPECD-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO COC(=O)c1nc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001233766889 1304584858 /nfs/dbraw/zinc/58/48/58/1304584858.db2.gz RSNZNIDOWLPKLR-SECBINFHSA-N 1 0 332.218 2.104 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001122264808 1310249360 /nfs/dbraw/zinc/24/93/60/1310249360.db2.gz WWWRSYFUPFURJS-GRYCIOLGSA-N 1 0 332.404 2.380 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](F)C[C@H]([NH3+])C2)c1F ZINC001246576155 1310346711 /nfs/dbraw/zinc/34/67/11/1310346711.db2.gz FHTBVYXPSGFMKL-AXFHLTTASA-N 1 0 329.347 2.045 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]([NH3+])CC(F)(F)C2)c1F ZINC001246596133 1310354422 /nfs/dbraw/zinc/35/44/22/1310354422.db2.gz ZJSLSACBZKJANK-UWVGGRQHSA-N 1 0 347.337 2.342 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)[NH2+]C[C@H]2C)c1F ZINC001246693912 1310381866 /nfs/dbraw/zinc/38/18/66/1310381866.db2.gz UCQDZMDEKOIGAM-QJPTWQEYSA-N 1 0 325.384 2.356 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000830356327 1314534535 /nfs/dbraw/zinc/53/45/35/1314534535.db2.gz ZJSSTNVMXMGGGU-IRXDYDNUSA-N 1 0 334.347 2.481 20 5 EEBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830528951 1314540098 /nfs/dbraw/zinc/54/00/98/1314540098.db2.gz CMKNJEWTGGWDBD-MRXNPFEDSA-N 1 0 339.367 2.421 20 5 EEBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000840185326 1315321283 /nfs/dbraw/zinc/32/12/83/1315321283.db2.gz YAXKCCLBQMWQFL-GFCCVEGCSA-N 1 0 346.387 2.441 20 5 EEBDRO C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000840763467 1315408892 /nfs/dbraw/zinc/40/88/92/1315408892.db2.gz JHQNOKFJMZSGLZ-LBPRGKRZSA-N 1 0 336.461 2.462 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841855223 1315624704 /nfs/dbraw/zinc/62/47/04/1315624704.db2.gz IMGUQTIAMZCTBD-ZJUUUORDSA-N 1 0 326.784 2.127 20 5 EEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000842631895 1315739292 /nfs/dbraw/zinc/73/92/92/1315739292.db2.gz VSECNHNBBNCNDA-SSDOTTSWSA-N 1 0 335.320 2.320 20 5 EEBDRO CCOC(=O)c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc([N+](=O)[O-])c1 ZINC000842666477 1315749580 /nfs/dbraw/zinc/74/95/80/1315749580.db2.gz CIECCJKVGDOGSO-JTQLQIEISA-N 1 0 346.343 2.289 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CCO)c2ccccc2)cc1 ZINC000843078644 1315836708 /nfs/dbraw/zinc/83/67/08/1315836708.db2.gz ZTLWFWAZCVUXJA-AEFFLSMTSA-N 1 0 330.384 2.384 20 5 EEBDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843124808 1315848471 /nfs/dbraw/zinc/84/84/71/1315848471.db2.gz HIDWDQOJVIVCRQ-ZDUSSCGKSA-N 1 0 339.823 2.436 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[C@@H]([NH3+])c3ccccc3)n2)n1C ZINC000843221359 1315869484 /nfs/dbraw/zinc/86/94/84/1315869484.db2.gz IBQZCRPFAQFXCR-JOYOIKCWSA-N 1 0 342.359 2.490 20 5 EEBDRO C[C@H](NCC1([NH3+])CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843367321 1315901749 /nfs/dbraw/zinc/90/17/49/1315901749.db2.gz FSHCTKBIPQWZRX-VIFPVBQESA-N 1 0 326.784 2.046 20 5 EEBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843507627 1315925742 /nfs/dbraw/zinc/92/57/42/1315925742.db2.gz QIQCWRMMKLEJKE-LLVKDONJSA-N 1 0 348.359 2.216 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001149636797 1316002848 /nfs/dbraw/zinc/00/28/48/1316002848.db2.gz MWXZIFPTKFROLH-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO Cc1nsc(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001152717004 1316712866 /nfs/dbraw/zinc/71/28/66/1316712866.db2.gz XJKZBFSGKCPIDP-UHFFFAOYSA-N 1 0 340.430 2.249 20 5 EEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc4nc5ccccc5nc43)C[C@H]2C1 ZINC001153867021 1316904947 /nfs/dbraw/zinc/90/49/47/1316904947.db2.gz WLGHYMCYUMQCJX-OKILXGFUSA-N 1 0 332.407 2.417 20 5 EEBDRO O=C(Cc1cccs1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154194663 1316989584 /nfs/dbraw/zinc/98/95/84/1316989584.db2.gz BHVIGSFDIVXWIX-UHFFFAOYSA-N 1 0 333.413 2.495 20 5 EEBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001155474520 1317612813 /nfs/dbraw/zinc/61/28/13/1317612813.db2.gz RUFKNVJDXFWDAB-UHFFFAOYSA-N 1 0 334.401 2.269 20 5 EEBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001155527652 1317638397 /nfs/dbraw/zinc/63/83/97/1317638397.db2.gz NLGUXQQQQYIGDP-XPKDYRNWSA-N 1 0 328.372 2.179 20 5 EEBDRO Cn1c(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc2ccccc21 ZINC001156019102 1317833636 /nfs/dbraw/zinc/83/36/36/1317833636.db2.gz JTVMEUZUJNQAAS-UHFFFAOYSA-N 1 0 338.371 2.175 20 5 EEBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC001156086801 1317870810 /nfs/dbraw/zinc/87/08/10/1317870810.db2.gz KZQQBCDUHXNRTJ-UHFFFAOYSA-N 1 0 332.335 2.039 20 5 EEBDRO CCOC(=O)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465557 1318081616 /nfs/dbraw/zinc/08/16/16/1318081616.db2.gz CORNGYDOJRHVOX-ZDUSSCGKSA-N 1 0 335.404 2.495 20 5 EEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001254539429 1318115435 /nfs/dbraw/zinc/11/54/35/1318115435.db2.gz HNFHGEIYMLFOIE-SKDZVZGDSA-N 1 0 330.384 2.210 20 5 EEBDRO CCC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC001254545379 1318117506 /nfs/dbraw/zinc/11/75/06/1318117506.db2.gz MXJSCZSIBPTVDS-CYBMUJFWSA-N 1 0 340.445 2.473 20 5 EEBDRO Nc1ccc([C@H](CCO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584258 1318133546 /nfs/dbraw/zinc/13/35/46/1318133546.db2.gz GSBAEYIIFJTWIS-WMZOPIPTSA-N 1 0 327.384 2.358 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001157264658 1318529687 /nfs/dbraw/zinc/52/96/87/1318529687.db2.gz FVLFNGLJIOVPNT-IUCAKERBSA-N 1 0 343.840 2.291 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3cn(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC001256082266 1318641499 /nfs/dbraw/zinc/64/14/99/1318641499.db2.gz DLMOMJZTXXKBJA-UHFFFAOYSA-N 1 0 345.403 2.096 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@H](OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087315 1318644389 /nfs/dbraw/zinc/64/43/89/1318644389.db2.gz WKAVWCXXIHOBNS-CTYIDZIISA-N 1 0 335.404 2.339 20 5 EEBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256088662 1318644403 /nfs/dbraw/zinc/64/44/03/1318644403.db2.gz YBIMTYQLVMLUJK-AKAXFMLLSA-N 1 0 349.431 2.465 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3ccncn3)CC2)ccc1[N+](=O)[O-] ZINC001256087280 1318644956 /nfs/dbraw/zinc/64/49/56/1318644956.db2.gz VIISOYAAXXAALV-UHFFFAOYSA-N 1 0 343.387 2.152 20 5 EEBDRO COc1cc(N2CCC([N@H+](C)[C@H]3CCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099523 1318646979 /nfs/dbraw/zinc/64/69/79/1318646979.db2.gz RCXGUMXAJDRGDW-INIZCTEOSA-N 1 0 348.447 2.208 20 5 EEBDRO COc1cc(N2CCC([N@H+](C3CC3)C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256100778 1318647444 /nfs/dbraw/zinc/64/74/44/1318647444.db2.gz OTSKDPFWMNSEFB-UHFFFAOYSA-N 1 0 347.415 2.435 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC001158310311 1319166968 /nfs/dbraw/zinc/16/69/68/1319166968.db2.gz ZCMADUJVMLQDPJ-LBPRGKRZSA-N 1 0 340.811 2.253 20 5 EEBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160338361 1320138880 /nfs/dbraw/zinc/13/88/80/1320138880.db2.gz YOEAJGUONYJGGK-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001162730932 1320943186 /nfs/dbraw/zinc/94/31/86/1320943186.db2.gz SLZBBRWXNYJQQQ-GFCCVEGCSA-N 1 0 344.799 2.186 20 5 EEBDRO CS(=O)(=O)c1ccc(N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162854485 1320975132 /nfs/dbraw/zinc/97/51/32/1320975132.db2.gz UJIZWCNUSFFYBN-GFCCVEGCSA-N 1 0 347.396 2.020 20 5 EEBDRO NC1=CC=C(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)[NH2+]C1 ZINC001163129862 1321045715 /nfs/dbraw/zinc/04/57/15/1321045715.db2.gz SNYSEVYFJMSDEY-UHFFFAOYSA-N 1 0 335.795 2.189 20 5 EEBDRO O=[N+]([O-])c1c(NCc2noc3c2C[NH2+]CC3)ccc2ncccc21 ZINC001163134635 1321047764 /nfs/dbraw/zinc/04/77/64/1321047764.db2.gz YTIGNXVGSHCDEH-UHFFFAOYSA-N 1 0 325.328 2.389 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277793 1321085978 /nfs/dbraw/zinc/08/59/78/1321085978.db2.gz GRRSMAZVJRODHW-IINYFYTJSA-N 1 0 326.784 2.214 20 5 EEBDRO CC(=O)Nc1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282859 1321087506 /nfs/dbraw/zinc/08/75/06/1321087506.db2.gz BCPQOASHEMKZGB-DYVFJYSZSA-N 1 0 348.403 2.124 20 5 EEBDRO COc1cccc([C@H](C[NH3+])Nc2nc(C)nc(Cl)c2[N+](=O)[O-])c1 ZINC001163305524 1321092512 /nfs/dbraw/zinc/09/25/12/1321092512.db2.gz FAUQJZMKNVDRIS-NSHDSACASA-N 1 0 337.767 2.467 20 5 EEBDRO CC1([NH+]2CCOCC2)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165134208 1321463197 /nfs/dbraw/zinc/46/31/97/1321463197.db2.gz RNCDSXCFGCHERB-UHFFFAOYSA-N 1 0 345.403 2.162 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165322619 1321500558 /nfs/dbraw/zinc/50/05/58/1321500558.db2.gz DNLPOJUFEYOPOG-LBPRGKRZSA-N 1 0 340.811 2.240 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@@H]21 ZINC001307785542 1331546959 /nfs/dbraw/zinc/54/69/59/1331546959.db2.gz MWCPCQRYESGUGL-YGRLFVJLSA-N 1 0 340.221 2.493 20 5 EEBDRO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001308526597 1331596607 /nfs/dbraw/zinc/59/66/07/1331596607.db2.gz VPWUVYDPYBFBMU-HNNXBMFYSA-N 1 0 338.404 2.409 20 5 EEBDRO [NH3+]CCN(Cc1cnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001308739808 1331603303 /nfs/dbraw/zinc/60/33/03/1331603303.db2.gz FDZFEKJMXVZGGH-UHFFFAOYSA-N 1 0 338.371 2.141 20 5 EEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(C)C ZINC001309404797 1331628165 /nfs/dbraw/zinc/62/81/65/1331628165.db2.gz CFGXZXOWGIUIDA-UHFFFAOYSA-N 1 0 347.412 2.051 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001310519173 1331694206 /nfs/dbraw/zinc/69/42/06/1331694206.db2.gz NFLNPJJVFPWFGU-AWEZNQCLSA-N 1 0 343.387 2.145 20 5 EEBDRO COc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])cc1F ZINC001331046815 1334952907 /nfs/dbraw/zinc/95/29/07/1334952907.db2.gz YUJVIBMTVJFJEE-STQMWFEESA-N 1 0 339.367 2.345 20 5 EEBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001332034852 1335710966 /nfs/dbraw/zinc/71/09/66/1335710966.db2.gz VIABSECCQFTTAE-QGZVFWFLSA-N 1 0 341.367 2.390 20 5 EEBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001333664853 1336099467 /nfs/dbraw/zinc/09/94/67/1336099467.db2.gz NJKNYLOHNAZBJP-UHFFFAOYSA-N 1 0 325.674 2.211 20 5 EEBDRO CCN(CCC[NH+](C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001333705472 1336111289 /nfs/dbraw/zinc/11/12/89/1336111289.db2.gz JPFIKQQIUYNBTN-UHFFFAOYSA-N 1 0 332.404 2.225 20 5 EEBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001335444698 1336376410 /nfs/dbraw/zinc/37/64/10/1336376410.db2.gz NYQKUHSUXVUECW-DLBZAZTESA-N 1 0 334.347 2.265 20 5 EEBDRO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC001354266266 1338475842 /nfs/dbraw/zinc/47/58/42/1338475842.db2.gz JEEUNPSJGFFSHW-SUMWQHHRSA-N 1 0 343.431 2.498 20 5 EEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001577308066 1344126330 /nfs/dbraw/zinc/12/63/30/1344126330.db2.gz KEGKNBCXZVYLKP-QWHCGFSZSA-N 1 0 329.360 2.312 20 5 EEBDRO CC[NH2+]CC1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC001577837665 1344203791 /nfs/dbraw/zinc/20/37/91/1344203791.db2.gz PJDKAYJOSKFNIL-UHFFFAOYSA-N 1 0 344.415 2.273 20 5 EEBDRO CCNc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC001577901822 1344211483 /nfs/dbraw/zinc/21/14/83/1344211483.db2.gz ACIULRQBCIIUSW-UHFFFAOYSA-N 1 0 342.399 2.458 20 5 EEBDRO Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001581029097 1344582976 /nfs/dbraw/zinc/58/29/76/1344582976.db2.gz RNYOXKDDMRMYGN-UHFFFAOYSA-N 1 0 345.407 2.227 20 5 EEBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001589714827 1349022832 /nfs/dbraw/zinc/02/28/32/1349022832.db2.gz MNQMKLGQOZDXIP-UHFFFAOYSA-N 1 0 331.380 2.060 20 5 EEBDRO C[N@H+](CCC1CCOCC1)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604739783 1350995249 /nfs/dbraw/zinc/99/52/49/1350995249.db2.gz HQCGYTNTWJAKKZ-UHFFFAOYSA-N 1 0 346.391 2.023 20 5 EEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921167 1368095925 /nfs/dbraw/zinc/09/59/25/1368095925.db2.gz PNSTXNHMCRNWSW-LBPRGKRZSA-N 1 0 335.408 2.419 20 5 EEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000852287827 1369258825 /nfs/dbraw/zinc/25/88/25/1369258825.db2.gz HFRVIVXAJPILIB-MSOLQXFVSA-N 1 0 330.384 2.164 20 5 EEBDRO O=[N+]([O-])c1cn(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1ccccn1 ZINC000853489083 1369339668 /nfs/dbraw/zinc/33/96/68/1369339668.db2.gz FDRZFPVTLATOOY-ZDUSSCGKSA-N 1 0 343.387 2.312 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853514519 1369344077 /nfs/dbraw/zinc/34/40/77/1369344077.db2.gz DTPPMBVISRIKFF-AWEZNQCLSA-N 1 0 344.419 2.225 20 5 EEBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc([N+](=O)[O-])c1C ZINC001342725287 1372950214 /nfs/dbraw/zinc/95/02/14/1372950214.db2.gz BTZYISWTFHMADJ-QGZVFWFLSA-N 1 0 333.388 2.270 20 5 EEBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncoc1C ZINC001754036370 1406817222 /nfs/dbraw/zinc/81/72/22/1406817222.db2.gz OOJWMISRJFNTTL-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1C ZINC001167098686 757302881 /nfs/dbraw/zinc/30/28/81/757302881.db2.gz UQULQRCTLDSOFD-UHFFFAOYSA-N 1 0 331.163 2.214 20 5 EEBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167626064 760765065 /nfs/dbraw/zinc/76/50/65/760765065.db2.gz WBPAMCBMOJRGHJ-UHFFFAOYSA-N 1 0 336.392 2.261 20 5 EEBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001105411199 782989784 /nfs/dbraw/zinc/98/97/84/782989784.db2.gz CWWCPPRUCXOVNR-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091358508 790428859 /nfs/dbraw/zinc/42/88/59/790428859.db2.gz GONDXUPHMRBHID-OKILXGFUSA-N 1 0 349.435 2.028 20 5 EEBDRO Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cs1 ZINC000981763473 778158942 /nfs/dbraw/zinc/15/89/42/778158942.db2.gz IYVWAFWFCUABGS-HUUCEWRRSA-N 1 0 349.456 2.146 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091478432 790956068 /nfs/dbraw/zinc/95/60/68/790956068.db2.gz UPLKISAGARCDMS-HDJSIYSDSA-N 1 0 334.420 2.243 20 5 EEBDRO COCC(=O)N1CCC2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035144298 783893030 /nfs/dbraw/zinc/89/30/30/783893030.db2.gz PGWKEZBPEJCLDY-UHFFFAOYSA-N 1 0 347.415 2.056 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906847954 784192837 /nfs/dbraw/zinc/19/28/37/784192837.db2.gz RMNANQNYYGWMGW-JTQLQIEISA-N 1 0 340.811 2.244 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000817371670 784720791 /nfs/dbraw/zinc/72/07/91/784720791.db2.gz BVCQPDPYYQBLFS-KRWDZBQOSA-N 1 0 329.404 2.442 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000817485044 784792596 /nfs/dbraw/zinc/79/25/96/784792596.db2.gz HEVCHMXPLWIMNC-UHFFFAOYSA-N 1 0 336.348 2.106 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1coc(CC2CC2)n1 ZINC001136036805 785031074 /nfs/dbraw/zinc/03/10/74/785031074.db2.gz XSJBRHAQYKHHCK-UHFFFAOYSA-N 1 0 344.371 2.055 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817994633 785112072 /nfs/dbraw/zinc/11/20/72/785112072.db2.gz DVQSVGTVVINLFP-GFCCVEGCSA-N 1 0 329.759 2.187 20 5 EEBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000818554003 785291273 /nfs/dbraw/zinc/29/12/73/785291273.db2.gz FRJIEUKFVYVMJK-RKDXNWHRSA-N 1 0 329.759 2.139 20 5 EEBDRO CN(CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000818955713 785341852 /nfs/dbraw/zinc/34/18/52/785341852.db2.gz BQEUPIBJWLTFTI-ZDUSSCGKSA-N 1 0 335.326 2.102 20 5 EEBDRO C[C@H](O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000819130510 785435773 /nfs/dbraw/zinc/43/57/73/785435773.db2.gz IXLOJDNBNXMHEF-GUYCJALGSA-N 1 0 346.383 2.178 20 5 EEBDRO O=C(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC1CCCCC1 ZINC000819296191 785490127 /nfs/dbraw/zinc/49/01/27/785490127.db2.gz ZXYLPNMXJYNGAZ-MRXNPFEDSA-N 1 0 336.388 2.484 20 5 EEBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819263270 785497122 /nfs/dbraw/zinc/49/71/22/785497122.db2.gz UKKQCEFWPIXKFU-FZMZJTMJSA-N 1 0 339.392 2.131 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000996429309 786395961 /nfs/dbraw/zinc/39/59/61/786395961.db2.gz OZFYFXGKISUNKE-QZTJIDSGSA-N 1 0 343.427 2.310 20 5 EEBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000996429720 786396734 /nfs/dbraw/zinc/39/67/34/786396734.db2.gz UTGFPVVGCDPQFV-IAGOWNOFSA-N 1 0 331.416 2.049 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820885334 786514084 /nfs/dbraw/zinc/51/40/84/786514084.db2.gz FVBUPODIRQKRRG-HNNXBMFYSA-N 1 0 347.415 2.195 20 5 EEBDRO CC1(C)CC[N@H+](CC(=O)NC/C=C\CNc2ccccc2[N+](=O)[O-])C1 ZINC001107514284 787486529 /nfs/dbraw/zinc/48/65/29/787486529.db2.gz ZVRUWWZNNHANKQ-WAYWQWQTSA-N 1 0 346.431 2.411 20 5 EEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc([C@H](C)[NH3+])cc3)n2)n1C ZINC000823093826 787540978 /nfs/dbraw/zinc/54/09/78/787540978.db2.gz HUEGIAREXSCYJQ-QMMMGPOBSA-N 1 0 328.332 2.373 20 5 EEBDRO COc1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000913294852 788772535 /nfs/dbraw/zinc/77/25/35/788772535.db2.gz POAXMYHEUSGYKZ-IRXDYDNUSA-N 1 0 333.388 2.017 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842920936 789001166 /nfs/dbraw/zinc/00/11/66/789001166.db2.gz TUCVKBGNYGUWSE-UHFFFAOYSA-N 1 0 349.840 2.354 20 5 EEBDRO C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000844640175 789285654 /nfs/dbraw/zinc/28/56/54/789285654.db2.gz GYCMXWOIRHULER-MXWKQRLJSA-N 1 0 336.348 2.056 20 5 EEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923438957 789563006 /nfs/dbraw/zinc/56/30/06/789563006.db2.gz BWWGNKRXDVXHSL-VWYCJHECSA-N 1 0 340.811 2.257 20 5 EEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000845669480 789915273 /nfs/dbraw/zinc/91/52/73/789915273.db2.gz JUPCCJBMXSSAJO-NSHDSACASA-N 1 0 336.344 2.007 20 5 EEBDRO CC(C)c1ocnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001146863639 791532481 /nfs/dbraw/zinc/53/24/81/791532481.db2.gz BXUWFDOLJLZQPA-UHFFFAOYSA-N 1 0 338.389 2.287 20 5 EEBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173468183 791858712 /nfs/dbraw/zinc/85/87/12/791858712.db2.gz UHRJRPLQRXWKNV-MRXNPFEDSA-N 1 0 344.419 2.227 20 5 EEBDRO Cc1ccc(N2CCN(C(=O)CCCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001093166398 794799397 /nfs/dbraw/zinc/79/93/97/794799397.db2.gz QPQRJKQSGLDARL-UHFFFAOYSA-N 1 0 348.447 2.284 20 5 EEBDRO O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1ccn2c[nH+]cc2c1 ZINC001094253363 796041466 /nfs/dbraw/zinc/04/14/66/796041466.db2.gz MUINQXZUWJJXRL-UHFFFAOYSA-N 1 0 343.318 2.224 20 5 EEBDRO O=C(CCCC[NH+]1CCCC1)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094467489 796238982 /nfs/dbraw/zinc/23/89/82/796238982.db2.gz AQDOBLGBXPNROK-UHFFFAOYSA-N 1 0 349.435 2.174 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094514309 796347076 /nfs/dbraw/zinc/34/70/76/796347076.db2.gz DWMIFCQFFZEMFA-UHFFFAOYSA-N 1 0 340.399 2.384 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001094622162 796494574 /nfs/dbraw/zinc/49/45/74/796494574.db2.gz LRQDCVPVJAWMKX-UHFFFAOYSA-N 1 0 334.420 2.306 20 5 EEBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)C[N@H+](C)C(C)C ZINC001106779212 796522178 /nfs/dbraw/zinc/52/21/78/796522178.db2.gz VGHWNUAQKYUZLB-UHFFFAOYSA-N 1 0 340.399 2.335 20 5 EEBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)N1CCCCC1 ZINC001172899551 797128883 /nfs/dbraw/zinc/12/88/83/797128883.db2.gz OCFAGXZBKWAUBI-MRXNPFEDSA-N 1 0 331.416 2.444 20 5 EEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922582 797153351 /nfs/dbraw/zinc/15/33/51/797153351.db2.gz YWFWSBALPSTSFX-RDJZCZTQSA-N 1 0 331.416 2.395 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3COC3)CC1)CC2 ZINC001172910962 797170163 /nfs/dbraw/zinc/17/01/63/797170163.db2.gz FEGLWNNWAIYQBQ-INIZCTEOSA-N 1 0 345.443 2.295 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC001173190980 797281873 /nfs/dbraw/zinc/28/18/73/797281873.db2.gz YWSUFZHNGNDMPG-QWHCGFSZSA-N 1 0 337.395 2.454 20 5 EEBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001173224878 797308756 /nfs/dbraw/zinc/30/87/56/797308756.db2.gz IOVJQZDFYQBCJG-VZEFYGNVSA-N 1 0 331.416 2.228 20 5 EEBDRO CCC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1 ZINC001173225645 797309622 /nfs/dbraw/zinc/30/96/22/797309622.db2.gz UBIASMQYCUBJGD-CYBMUJFWSA-N 1 0 340.445 2.473 20 5 EEBDRO CCNC(=O)N1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173213154 797315880 /nfs/dbraw/zinc/31/58/80/797315880.db2.gz FZXIFSALLSCZOO-CYBMUJFWSA-N 1 0 334.420 2.309 20 5 EEBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001095228637 797551909 /nfs/dbraw/zinc/55/19/09/797551909.db2.gz NZTQNDLENFXMJP-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)C=C1CCC1 ZINC001178174889 799320185 /nfs/dbraw/zinc/32/01/85/799320185.db2.gz AWOGEMPFVSFSDY-UHFFFAOYSA-N 1 0 349.435 2.205 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCOCC1 ZINC001086011087 801923593 /nfs/dbraw/zinc/92/35/93/801923593.db2.gz IUUFKZDFGKGQCU-FZNQNYSPSA-N 1 0 347.415 2.006 20 5 EEBDRO Cc1ccc2c(ccnc2NC(=[NH2+])N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001168735269 801935996 /nfs/dbraw/zinc/93/59/96/801935996.db2.gz LDBYIPZGQIVCOD-UHFFFAOYSA-N 1 0 328.376 2.045 20 5 EEBDRO CCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001168976308 803542203 /nfs/dbraw/zinc/54/22/03/803542203.db2.gz CNSCSERKFORBBK-CHWSQXEVSA-N 1 0 327.425 2.421 20 5 EEBDRO CCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001168976311 803542416 /nfs/dbraw/zinc/54/24/16/803542416.db2.gz CNSCSERKFORBBK-STQMWFEESA-N 1 0 327.425 2.421 20 5 EEBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967593 803553136 /nfs/dbraw/zinc/55/31/36/803553136.db2.gz RBSMUKKPPANQMP-IHRRRGAJSA-N 1 0 327.425 2.421 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncnc4ccccc43)C2)C1 ZINC001168994078 803561223 /nfs/dbraw/zinc/56/12/23/803561223.db2.gz OQLMNYXGVZHODY-RRFJBIMHSA-N 1 0 341.415 2.244 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)C1 ZINC001168994080 803561600 /nfs/dbraw/zinc/56/16/00/803561600.db2.gz OTXZUYUBAIMOJC-KBPBESRZSA-N 1 0 335.404 2.174 20 5 EEBDRO Cc1ccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)nc1 ZINC001168998897 803564502 /nfs/dbraw/zinc/56/45/02/803564502.db2.gz QVKQILWMIYTWJE-CVEARBPZSA-N 1 0 333.432 2.473 20 5 EEBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1cccnc1 ZINC001168999897 803565357 /nfs/dbraw/zinc/56/53/57/803565357.db2.gz WBVPELBALYWKAT-MWQQHZPXSA-N 1 0 346.431 2.158 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ncccc3F)CCOCC2)C1 ZINC001169000357 803565744 /nfs/dbraw/zinc/56/57/44/803565744.db2.gz XRMXOSCARYWLDK-KGLIPLIRSA-N 1 0 337.395 2.304 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001210 803566719 /nfs/dbraw/zinc/56/67/19/803566719.db2.gz DOMQYUPALAODLG-SYQHCUMBSA-N 1 0 327.425 2.419 20 5 EEBDRO O=C1[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1c1ccccc1 ZINC001169019215 803587498 /nfs/dbraw/zinc/58/74/98/803587498.db2.gz FSPVTGBEXZHKGW-WTTBNOFXSA-N 1 0 329.400 2.027 20 5 EEBDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[C@@H](C[N+](=O)[O-])C3)O2)n1 ZINC001169019463 803587863 /nfs/dbraw/zinc/58/78/63/803587863.db2.gz IGMXJVXTQYWZJV-XLWJZTARSA-N 1 0 336.392 2.118 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)C1 ZINC001169021999 803588192 /nfs/dbraw/zinc/58/81/92/803588192.db2.gz MCCFRAUDVFFDSV-IDCNUPLLSA-N 1 0 347.415 2.139 20 5 EEBDRO CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@](C)(C[NH3+])C1 ZINC001169137308 803629614 /nfs/dbraw/zinc/62/96/14/803629614.db2.gz KXHNGHRZSICOHG-MGPLVRAMSA-N 1 0 335.408 2.044 20 5 EEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000804330825 803854251 /nfs/dbraw/zinc/85/42/51/803854251.db2.gz DRZJUGCYDAKGKY-UHFFFAOYSA-N 1 0 329.316 2.225 20 5 EEBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1F)C(=O)C[NH+]1CCCC1 ZINC001109454440 805490986 /nfs/dbraw/zinc/49/09/86/805490986.db2.gz AADOEDGGOUMFKZ-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO COC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@@H]1C ZINC000787240935 807064177 /nfs/dbraw/zinc/06/41/77/807064177.db2.gz SGJUZERIQMRPNS-MLGOLLRUSA-N 1 0 344.371 2.299 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000793588358 810421368 /nfs/dbraw/zinc/42/13/68/810421368.db2.gz JABHUINSJOHABE-VXGBXAGGSA-N 1 0 327.812 2.135 20 5 EEBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000808190099 812504382 /nfs/dbraw/zinc/50/43/82/812504382.db2.gz CBMLLGBLFPUKRH-CJNGLKHVSA-N 1 0 344.419 2.164 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2[nH]ccc2n1 ZINC001131273853 812608763 /nfs/dbraw/zinc/60/87/63/812608763.db2.gz WDIBBVQUTHCAEJ-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO Cc1onc(C2CC2)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131436950 812846638 /nfs/dbraw/zinc/84/66/38/812846638.db2.gz XXZVWTZSBCZBDG-UHFFFAOYSA-N 1 0 344.371 2.288 20 5 EEBDRO CC[N@@H+](CC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001596225196 983616420 /nfs/dbraw/zinc/61/64/20/983616420.db2.gz QWRIQBHULCGGNZ-UHFFFAOYSA-N 1 0 349.431 2.256 20 5 EEBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C1CC1)C1CC1 ZINC000050989225 214072887 /nfs/dbraw/zinc/07/28/87/214072887.db2.gz NCZJAPLIVFWVDS-UHFFFAOYSA-N 1 0 347.371 2.382 20 5 EEBDRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186795257 529902895 /nfs/dbraw/zinc/90/28/95/529902895.db2.gz XHYJUJKHTQYBGU-UHFFFAOYSA-N 1 0 340.811 2.213 20 5 EEBDRO CC(C)(C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193111755 535047889 /nfs/dbraw/zinc/04/78/89/535047889.db2.gz FRVHZLJXIWSAAD-CYBMUJFWSA-N 1 0 327.356 2.059 20 5 EEBDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000178834866 232526834 /nfs/dbraw/zinc/52/68/34/232526834.db2.gz YLHWQOBORFFWBD-JTQLQIEISA-N 1 0 325.796 2.377 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000180927864 234033274 /nfs/dbraw/zinc/03/32/74/234033274.db2.gz GWOKTHVQWLTMON-HNNXBMFYSA-N 1 0 334.420 2.417 20 5 EEBDRO Cn1cc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccc(F)cc2)cn1 ZINC000185419091 235662815 /nfs/dbraw/zinc/66/28/15/235662815.db2.gz VQAOILXEQYEGCN-MRXNPFEDSA-N 1 0 344.350 2.043 20 5 EEBDRO NC(=O)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000072718747 216298015 /nfs/dbraw/zinc/29/80/15/216298015.db2.gz DGMKWALKQHLVNN-CQSZACIVSA-N 1 0 346.431 2.002 20 5 EEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CC2)cc1 ZINC000419353549 239482930 /nfs/dbraw/zinc/48/29/30/239482930.db2.gz LJSIDRLHHHCSEC-SJCJKPOMSA-N 1 0 330.388 2.380 20 5 EEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422936842 240299511 /nfs/dbraw/zinc/29/95/11/240299511.db2.gz MZXYDCRJPGIZGU-CQSZACIVSA-N 1 0 334.420 2.421 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427137095 241381413 /nfs/dbraw/zinc/38/14/13/241381413.db2.gz QXVQLFNXPQNTRN-ZWNOBZJWSA-N 1 0 327.331 2.380 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000427955849 241502705 /nfs/dbraw/zinc/50/27/05/241502705.db2.gz FLEAZZKDNVFUNT-LBPRGKRZSA-N 1 0 329.422 2.007 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2ncccc2F)n1 ZINC000447583551 242291225 /nfs/dbraw/zinc/29/12/25/242291225.db2.gz BWZLITLHZADTKL-UONOGXRCSA-N 1 0 349.366 2.478 20 5 EEBDRO C[C@H]1C[C@H](O)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452065095 243340896 /nfs/dbraw/zinc/34/08/96/243340896.db2.gz BHWWJSZDPJWYMZ-WFASDCNBSA-N 1 0 331.372 2.495 20 5 EEBDRO CNc1nc(C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455872835 244097070 /nfs/dbraw/zinc/09/70/70/244097070.db2.gz WTHILMIOQQAYLP-UHFFFAOYSA-N 1 0 347.419 2.168 20 5 EEBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000459758451 245238584 /nfs/dbraw/zinc/23/85/84/245238584.db2.gz IAVUPVGMXACRMY-CYBMUJFWSA-N 1 0 333.363 2.459 20 5 EEBDRO C[NH+](C)CCOC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000491828061 246170335 /nfs/dbraw/zinc/17/03/35/246170335.db2.gz MOEWRDHNOICXFU-BQYQJAHWSA-N 1 0 347.415 2.177 20 5 EEBDRO C[NH+](C)[C@@]1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000492094781 246296884 /nfs/dbraw/zinc/29/68/84/246296884.db2.gz KROYPRVTWHEKOV-MWWKQMNYSA-N 1 0 335.429 2.162 20 5 EEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158922049 296219432 /nfs/dbraw/zinc/21/94/32/296219432.db2.gz OUMARSZFQYIOIA-GOSISDBHSA-N 1 0 344.415 2.021 20 5 EEBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353393257 284649487 /nfs/dbraw/zinc/64/94/87/284649487.db2.gz ZIINXMWCFNEFMR-NXEZZACHSA-N 1 0 343.305 2.295 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000453359938 285144615 /nfs/dbraw/zinc/14/46/15/285144615.db2.gz UZOOLJDLIOIVTO-SOLBZPMBSA-N 1 0 331.416 2.425 20 5 EEBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000311094641 285179596 /nfs/dbraw/zinc/17/95/96/285179596.db2.gz ZNKIXGZZHMLBER-HOTGVXAUSA-N 1 0 339.399 2.343 20 5 EEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195512029 256012409 /nfs/dbraw/zinc/01/24/09/256012409.db2.gz VUGNWTQTUPHQFA-CHWSQXEVSA-N 1 0 339.465 2.046 20 5 EEBDRO Cc1nn(C)c(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC000267063112 256022941 /nfs/dbraw/zinc/02/29/41/256022941.db2.gz MMPJVTIBQANHLC-UHFFFAOYSA-N 1 0 342.359 2.415 20 5 EEBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000267214619 256038422 /nfs/dbraw/zinc/03/84/22/256038422.db2.gz HDHMWRYFYHJIDU-AWEZNQCLSA-N 1 0 343.836 2.415 20 5 EEBDRO COc1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000267984920 256102350 /nfs/dbraw/zinc/10/23/50/256102350.db2.gz POHSDDQSKRCERY-WCQYABFASA-N 1 0 348.403 2.028 20 5 EEBDRO C[N@@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268161920 256120908 /nfs/dbraw/zinc/12/09/08/256120908.db2.gz QOAXNPFTUQQPQF-UHFFFAOYSA-N 1 0 326.784 2.095 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000270800983 256173839 /nfs/dbraw/zinc/17/38/39/256173839.db2.gz NPJASKIURHYNNL-RBUKOAKNSA-N 1 0 339.395 2.375 20 5 EEBDRO Cn1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271173446 256215757 /nfs/dbraw/zinc/21/57/57/256215757.db2.gz IGTWPGBBKNQUEG-WMLDXEAASA-N 1 0 341.415 2.179 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271313846 256232110 /nfs/dbraw/zinc/23/21/10/256232110.db2.gz MOOFTXPYGNYFKW-UHFFFAOYSA-N 1 0 349.416 2.013 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC ZINC000271185924 256217634 /nfs/dbraw/zinc/21/76/34/256217634.db2.gz WPWWTMXJYJIMSH-GFCCVEGCSA-N 1 0 346.474 2.490 20 5 EEBDRO CCOc1cccc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1[N+](=O)[O-] ZINC000273890570 256336022 /nfs/dbraw/zinc/33/60/22/256336022.db2.gz TUCKKJSTDLNKLO-OAHLLOKOSA-N 1 0 348.447 2.210 20 5 EEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000274072395 256351127 /nfs/dbraw/zinc/35/11/27/256351127.db2.gz RLHDHOVDLYEJBQ-WDEREUQCSA-N 1 0 338.360 2.139 20 5 EEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163029065 533350567 /nfs/dbraw/zinc/35/05/67/533350567.db2.gz OBAPXLCYBUUNFU-NXEZZACHSA-N 1 0 327.768 2.201 20 5 EEBDRO CN(C)C(=O)C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114458036 292231293 /nfs/dbraw/zinc/23/12/93/292231293.db2.gz ZUVWECYJPXBLAO-UHFFFAOYSA-N 1 0 346.387 2.249 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1SC ZINC000261994972 160432322 /nfs/dbraw/zinc/43/23/22/160432322.db2.gz PIDYHYQQFFPAJZ-UWVGGRQHSA-N 1 0 339.417 2.135 20 5 EEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000081997087 159159262 /nfs/dbraw/zinc/15/92/62/159159262.db2.gz UWFKSEJITVMROJ-UHFFFAOYSA-N 1 0 341.433 2.276 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000131182814 159556250 /nfs/dbraw/zinc/55/62/50/159556250.db2.gz NARPRXVZFMWIBN-ZDUSSCGKSA-N 1 0 349.435 2.361 20 5 EEBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000192497772 160170631 /nfs/dbraw/zinc/17/06/31/160170631.db2.gz QXICHXSCVDZZCK-ZIAGYGMSSA-N 1 0 348.428 2.346 20 5 EEBDRO CCOc1cc(C(=O)NCC[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000248143967 160338533 /nfs/dbraw/zinc/33/85/33/160338533.db2.gz UPPFTYGCSAFMDG-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO CCOC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248373100 160342506 /nfs/dbraw/zinc/34/25/06/160342506.db2.gz GGLVZAUHKZEUGD-LSDHHAIUSA-N 1 0 338.404 2.083 20 5 EEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340413124 160929162 /nfs/dbraw/zinc/92/91/62/160929162.db2.gz OZYXKDHKFSCALC-LLLHUVSDSA-N 1 0 334.416 2.436 20 5 EEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343319488 161124353 /nfs/dbraw/zinc/12/43/53/161124353.db2.gz KFOWIQAMUCNOKP-ZDUSSCGKSA-N 1 0 345.403 2.241 20 5 EEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344441524 161227776 /nfs/dbraw/zinc/22/77/76/161227776.db2.gz PJOLEOKXADRUBN-RBSFLKMASA-N 1 0 348.447 2.489 20 5 EEBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000346405415 161369566 /nfs/dbraw/zinc/36/95/66/161369566.db2.gz ZGYATOUEIBDSQJ-OAHLLOKOSA-N 1 0 330.388 2.274 20 5 EEBDRO CCOc1cc(C(=O)NCCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000346433842 161372022 /nfs/dbraw/zinc/37/20/22/161372022.db2.gz JSOLWPCVNNTVIU-UHFFFAOYSA-N 1 0 339.392 2.074 20 5 EEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352030844 162037650 /nfs/dbraw/zinc/03/76/50/162037650.db2.gz XNNKHQIZHVVNCN-RYUDHWBXSA-N 1 0 330.388 2.170 20 5 EEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352509755 162164823 /nfs/dbraw/zinc/16/48/23/162164823.db2.gz HCCQRZNQAJTGJX-ZDUSSCGKSA-N 1 0 341.433 2.056 20 5 EEBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354920951 163017847 /nfs/dbraw/zinc/01/78/47/163017847.db2.gz PGTJNRLBZDWLLH-SNVBAGLBSA-N 1 0 337.767 2.062 20 5 EEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000356305877 163399753 /nfs/dbraw/zinc/39/97/53/163399753.db2.gz WEFYMEQWVKLKHP-KRWDZBQOSA-N 1 0 335.379 2.221 20 5 EEBDRO Cc1cnc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000358373568 163896630 /nfs/dbraw/zinc/89/66/30/163896630.db2.gz YEYUMPRYRLYKTE-ZDUSSCGKSA-N 1 0 343.387 2.243 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359214028 164084516 /nfs/dbraw/zinc/08/45/16/164084516.db2.gz LTXSAZWWBPRFMH-LBPRGKRZSA-N 1 0 344.371 2.063 20 5 EEBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CC1 ZINC000360005770 164213606 /nfs/dbraw/zinc/21/36/06/164213606.db2.gz UQIIZNRMHNMPOI-UHFFFAOYSA-N 1 0 334.420 2.270 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000360406595 164302943 /nfs/dbraw/zinc/30/29/43/164302943.db2.gz OBIAFYFQYPZQFX-CYBMUJFWSA-N 1 0 334.376 2.305 20 5 EEBDRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368093313 166049868 /nfs/dbraw/zinc/04/98/68/166049868.db2.gz NIDFGBJQPHXUQA-AWEZNQCLSA-N 1 0 339.342 2.383 20 5 EEBDRO CC(=O)N[C@H](C)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360622364 164353768 /nfs/dbraw/zinc/35/37/68/164353768.db2.gz XITYYCJXBIAATD-CYBMUJFWSA-N 1 0 335.404 2.210 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364063023 165013055 /nfs/dbraw/zinc/01/30/55/165013055.db2.gz HMIBVPUPRPSDTN-CQSZACIVSA-N 1 0 333.388 2.060 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369068966 166183152 /nfs/dbraw/zinc/18/31/52/166183152.db2.gz YFMKNWHEKOPTRU-GFCCVEGCSA-N 1 0 333.388 2.350 20 5 EEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375469436 167141155 /nfs/dbraw/zinc/14/11/55/167141155.db2.gz AJIVRBUZVYTFGC-HOTGVXAUSA-N 1 0 349.431 2.207 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000125386665 222556260 /nfs/dbraw/zinc/55/62/60/222556260.db2.gz PXFQPTRUNBBYJK-LBPRGKRZSA-N 1 0 343.449 2.158 20 5 EEBDRO C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000164005857 287606921 /nfs/dbraw/zinc/60/69/21/287606921.db2.gz SWXXKCCRISPFTI-BDAKNGLRSA-N 1 0 329.198 2.173 20 5 EEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000272766420 269017532 /nfs/dbraw/zinc/01/75/32/269017532.db2.gz AEOCTHNLCYRJDL-UHFFFAOYSA-N 1 0 342.779 2.450 20 5 EEBDRO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1=CC[N@H+](C)CC1 ZINC000272768938 269018396 /nfs/dbraw/zinc/01/83/96/269018396.db2.gz QKHCPFDNGGLPTF-NSHDSACASA-N 1 0 328.372 2.456 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N(C)C)CCC1 ZINC000275680674 269135606 /nfs/dbraw/zinc/13/56/06/269135606.db2.gz HYQVKIACAXJKLZ-CYBMUJFWSA-N 1 0 334.420 2.386 20 5 EEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc1 ZINC000277224644 269144125 /nfs/dbraw/zinc/14/41/25/269144125.db2.gz SDZPSVFYNYLZJI-HNNXBMFYSA-N 1 0 345.428 2.414 20 5 EEBDRO O=c1ccn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278510299 269235664 /nfs/dbraw/zinc/23/56/64/269235664.db2.gz DZOYRFIMMNRSLN-MRXNPFEDSA-N 1 0 343.383 2.048 20 5 EEBDRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278705246 269241596 /nfs/dbraw/zinc/24/15/96/269241596.db2.gz QQGLSCPKNSTDTH-AWEZNQCLSA-N 1 0 349.431 2.289 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000277457114 274294592 /nfs/dbraw/zinc/29/45/92/274294592.db2.gz VJHFTMITKHWPIU-UHFFFAOYSA-N 1 0 335.404 2.455 20 5 EEBDRO Cc1ccnc([C@H](C)[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000286091182 274835762 /nfs/dbraw/zinc/83/57/62/274835762.db2.gz MSOXETONTPOGQE-AFAVFJNCSA-N 1 0 331.372 2.043 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286904984 274917567 /nfs/dbraw/zinc/91/75/67/274917567.db2.gz COFRYQOXINUJIL-IUODEOHRSA-N 1 0 333.388 2.302 20 5 EEBDRO O=C1[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000155507382 275030274 /nfs/dbraw/zinc/03/02/74/275030274.db2.gz XZTVTCMKPROHCH-KBRIMQKVSA-N 1 0 345.399 2.201 20 5 EEBDRO O=C(CN1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289990993 275168471 /nfs/dbraw/zinc/16/84/71/275168471.db2.gz SJZLOKUOFXXAIQ-LBPRGKRZSA-N 1 0 349.778 2.330 20 5 EEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290249940 275192447 /nfs/dbraw/zinc/19/24/47/275192447.db2.gz WFQHFTYOBDISJT-INIZCTEOSA-N 1 0 331.416 2.376 20 5 EEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000291095358 275269752 /nfs/dbraw/zinc/26/97/52/275269752.db2.gz ILUKZPLVDWNPDG-ZACQAIPSSA-N 1 0 349.431 2.162 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412147785 276306646 /nfs/dbraw/zinc/30/66/46/276306646.db2.gz HPBJXJSVFVMNIZ-RRQGHBQHSA-N 1 0 331.416 2.499 20 5 EEBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000424069839 277798565 /nfs/dbraw/zinc/79/85/65/277798565.db2.gz CMJBDTZAXBMFQH-AWEZNQCLSA-N 1 0 341.367 2.442 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488752883 278035696 /nfs/dbraw/zinc/03/56/96/278035696.db2.gz YPCBXIFATSSGSG-QJPTWQEYSA-N 1 0 335.433 2.471 20 5 EEBDRO CS[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+](C)C ZINC000340742146 278168244 /nfs/dbraw/zinc/16/82/44/278168244.db2.gz KHNMKIRQIJZANY-OLZOCXBDSA-N 1 0 349.416 2.127 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000270497746 281010595 /nfs/dbraw/zinc/01/05/95/281010595.db2.gz SWUKLJKKXCGSTQ-UHFFFAOYSA-N 1 0 347.463 2.293 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236982019 288575295 /nfs/dbraw/zinc/57/52/95/288575295.db2.gz DCIFWLKZVNDTAB-BXUZGUMPSA-N 1 0 341.433 2.048 20 5 EEBDRO CCc1ccc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293178463 293144513 /nfs/dbraw/zinc/14/45/13/293144513.db2.gz DKYHHRNUFAXCLN-FUHWJXTLSA-N 1 0 344.415 2.204 20 5 EEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000293683485 293269718 /nfs/dbraw/zinc/26/97/18/293269718.db2.gz ODEVDONKQDBQKY-UHFFFAOYSA-N 1 0 346.431 2.389 20 5 EEBDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294073497 293363517 /nfs/dbraw/zinc/36/35/17/293363517.db2.gz HYNONGFAUBSPHH-SNVBAGLBSA-N 1 0 333.417 2.373 20 5 EEBDRO Cc1cccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000294985891 293598691 /nfs/dbraw/zinc/59/86/91/293598691.db2.gz HEMUSEGQSMIHJE-NVXWUHKLSA-N 1 0 334.347 2.226 20 5 EEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000296721411 294049412 /nfs/dbraw/zinc/04/94/12/294049412.db2.gz NODHZJDHDVLURD-NSHDSACASA-N 1 0 339.367 2.299 20 5 EEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296803235 294071118 /nfs/dbraw/zinc/07/11/18/294071118.db2.gz UKYQTHXSSJTWEV-NSHDSACASA-N 1 0 332.316 2.016 20 5 EEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000296947161 294109401 /nfs/dbraw/zinc/10/94/01/294109401.db2.gz BXHGPHDSBPIQOS-OAHLLOKOSA-N 1 0 349.431 2.478 20 5 EEBDRO Cn1cc(C[NH+]2CC(C(C)(C)O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000297479396 294255121 /nfs/dbraw/zinc/25/51/21/294255121.db2.gz UBLWXXBNUUSBOT-UHFFFAOYSA-N 1 0 330.388 2.198 20 5 EEBDRO COC(=O)c1cnc(N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302753303 311548026 /nfs/dbraw/zinc/54/80/26/311548026.db2.gz HVMXIEZKRDBTKC-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO COC1([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1 ZINC000412030530 312600935 /nfs/dbraw/zinc/60/09/35/312600935.db2.gz ZRFVRQSZGKCVKN-LBPRGKRZSA-N 1 0 349.387 2.440 20 5 EEBDRO CNc1nc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)ccc1[N+](=O)[O-] ZINC000412569893 312688407 /nfs/dbraw/zinc/68/84/07/312688407.db2.gz HRBRWCIFVSGBIJ-UHFFFAOYSA-N 1 0 347.350 2.485 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414798845 313091795 /nfs/dbraw/zinc/09/17/95/313091795.db2.gz ZMJLGDFILYEBCC-HNNXBMFYSA-N 1 0 349.431 2.181 20 5 EEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000415767742 313182036 /nfs/dbraw/zinc/18/20/36/313182036.db2.gz UPIIQGBEMRKNTJ-ZIAGYGMSSA-N 1 0 336.392 2.127 20 5 EEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416475806 313232558 /nfs/dbraw/zinc/23/25/58/313232558.db2.gz VRCZCWUOSJOMCO-CYBMUJFWSA-N 1 0 343.449 2.220 20 5 EEBDRO Cc1ccc(NCCCNC(=O)NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000417724981 313577484 /nfs/dbraw/zinc/57/74/84/313577484.db2.gz ZTZCKQQMBNJBAW-UHFFFAOYSA-N 1 0 349.435 2.274 20 5 EEBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417735855 313580088 /nfs/dbraw/zinc/58/00/88/313580088.db2.gz WOCNPZKDZISQFE-MRXNPFEDSA-N 1 0 334.420 2.311 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418561853 313847405 /nfs/dbraw/zinc/84/74/05/313847405.db2.gz ZNYPIEIAWKSWTM-QGZVFWFLSA-N 1 0 334.420 2.168 20 5 EEBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCC[N@@H+]1C ZINC000421017073 314027280 /nfs/dbraw/zinc/02/72/80/314027280.db2.gz YZTSRHUQVLYLTL-AWEZNQCLSA-N 1 0 331.376 2.171 20 5 EEBDRO NC(=O)c1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439131448 315069203 /nfs/dbraw/zinc/06/92/03/315069203.db2.gz ODDUFMHZIZBHTF-AWEZNQCLSA-N 1 0 340.383 2.380 20 5 EEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000441797074 315191716 /nfs/dbraw/zinc/19/17/16/315191716.db2.gz BIXBGLKUCDBZQR-UHFFFAOYSA-N 1 0 343.449 2.222 20 5 EEBDRO Cc1sc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000452083746 315491491 /nfs/dbraw/zinc/49/14/91/315491491.db2.gz LVVSLMNCHHICDD-UHFFFAOYSA-N 1 0 347.462 2.117 20 5 EEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000514678088 316411250 /nfs/dbraw/zinc/41/12/50/316411250.db2.gz OBTPPVJNPMOOKA-OLZOCXBDSA-N 1 0 341.433 2.007 20 5 EEBDRO CCc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000519646537 316805639 /nfs/dbraw/zinc/80/56/39/316805639.db2.gz BIJHRQOKARUVHD-CQSZACIVSA-N 1 0 343.449 2.151 20 5 EEBDRO CCC([NH3+])(CC)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000521437063 316914439 /nfs/dbraw/zinc/91/44/39/316914439.db2.gz OIQQVRXRWRJVHF-UHFFFAOYSA-N 1 0 348.447 2.445 20 5 EEBDRO C[NH+]1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543393885 318157713 /nfs/dbraw/zinc/15/77/13/318157713.db2.gz APHQOLDNXHHNRN-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543599337 318163369 /nfs/dbraw/zinc/16/33/69/318163369.db2.gz UPEDOWWLXITLEW-OAHLLOKOSA-N 1 0 326.418 2.393 20 5 EEBDRO Cc1cc(NCCN2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543959346 318177582 /nfs/dbraw/zinc/17/75/82/318177582.db2.gz QNJMTEAGLNSTGA-ZDUSSCGKSA-N 1 0 330.388 2.006 20 5 EEBDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000561228265 318834089 /nfs/dbraw/zinc/83/40/89/318834089.db2.gz OOAQVVKPFYVJDR-CJBNDPTMSA-N 1 0 348.378 2.205 20 5 EEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](CO)Cc2ccco2)n1 ZINC000562603540 318902404 /nfs/dbraw/zinc/90/24/04/318902404.db2.gz PJXKHTVSNHTJHE-NUEKZKHPSA-N 1 0 348.403 2.309 20 5 EEBDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000564565769 319091559 /nfs/dbraw/zinc/09/15/59/319091559.db2.gz WVBDOFJAXRXPIN-DGCLKSJQSA-N 1 0 329.360 2.416 20 5 EEBDRO [NH3+]CC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000565422722 319181405 /nfs/dbraw/zinc/18/14/05/319181405.db2.gz UHEHGKXSSAPXAX-UHFFFAOYSA-N 1 0 346.431 2.009 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000566251218 319264826 /nfs/dbraw/zinc/26/48/26/319264826.db2.gz NFCAHAGBRJJIAD-ZFWWWQNUSA-N 1 0 346.431 2.055 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000566757584 319318194 /nfs/dbraw/zinc/31/81/94/319318194.db2.gz KLGSRRDGXLKBNG-AWEZNQCLSA-N 1 0 335.404 2.225 20 5 EEBDRO C[C@](C[NH3+])(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000575741039 320109861 /nfs/dbraw/zinc/10/98/61/320109861.db2.gz OFCHPUPKJYQDDU-CYBMUJFWSA-N 1 0 342.193 2.215 20 5 EEBDRO CC(C)CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182004317 323361917 /nfs/dbraw/zinc/36/19/17/323361917.db2.gz VQJSBGGDEYSAQY-LSDHHAIUSA-N 1 0 338.404 2.081 20 5 EEBDRO COc1ccc(CSCC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582123169 324385750 /nfs/dbraw/zinc/38/57/50/324385750.db2.gz LCXSPYJZWDJEAP-QWRGUYRKSA-N 1 0 341.433 2.079 20 5 EEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000516087039 448379916 /nfs/dbraw/zinc/37/99/16/448379916.db2.gz ZLLXGQIJRATWCB-LBPRGKRZSA-N 1 0 337.424 2.272 20 5 EEBDRO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000347485346 465050168 /nfs/dbraw/zinc/05/01/68/465050168.db2.gz DGSYNFLCNQUNEI-UHFFFAOYSA-N 1 0 334.420 2.340 20 5 EEBDRO Cc1c(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000336862436 465057222 /nfs/dbraw/zinc/05/72/22/465057222.db2.gz JGWFZLPTPCUXOO-KBPBESRZSA-N 1 0 326.418 2.349 20 5 EEBDRO C[C@H](NC(=O)NCCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296226082 465122675 /nfs/dbraw/zinc/12/26/75/465122675.db2.gz ANAFRGIXZWTAMQ-LBPRGKRZSA-N 1 0 338.433 2.004 20 5 EEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000297352259 465253718 /nfs/dbraw/zinc/25/37/18/465253718.db2.gz JOBNPEWQQITCBN-RHSMWYFYSA-N 1 0 349.434 2.493 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000578890420 468275701 /nfs/dbraw/zinc/27/57/01/468275701.db2.gz OGNDTKXWFBJXCG-RISCZKNCSA-N 1 0 339.417 2.015 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000045313724 462576820 /nfs/dbraw/zinc/57/68/20/462576820.db2.gz VJYYIYWRVGIPRC-GFCCVEGCSA-N 1 0 328.372 2.100 20 5 EEBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000089620038 462699258 /nfs/dbraw/zinc/69/92/58/462699258.db2.gz QZTUVVFANLTGCH-WCQYABFASA-N 1 0 339.417 2.037 20 5 EEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075802130 462758851 /nfs/dbraw/zinc/75/88/51/462758851.db2.gz BJLYDCMPSUBLTQ-UHFFFAOYSA-N 1 0 349.435 2.134 20 5 EEBDRO Cc1nn(C)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000047331226 462770356 /nfs/dbraw/zinc/77/03/56/462770356.db2.gz PWJURSDEZIZXSQ-UHFFFAOYSA-N 1 0 347.394 2.488 20 5 EEBDRO Cn1cccc1[C@H]1COCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000131799365 462827932 /nfs/dbraw/zinc/82/79/32/462827932.db2.gz WSGQEZSTDZJRTN-QGZVFWFLSA-N 1 0 331.372 2.386 20 5 EEBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCC1 ZINC000066044969 462847837 /nfs/dbraw/zinc/84/78/37/462847837.db2.gz CWYSDXUFZQQFKP-CYBMUJFWSA-N 1 0 330.388 2.150 20 5 EEBDRO CC[C@@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000133203475 462907750 /nfs/dbraw/zinc/90/77/50/462907750.db2.gz KCAHIDCEPDUQQC-MRXNPFEDSA-N 1 0 332.360 2.036 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092217926 462935656 /nfs/dbraw/zinc/93/56/56/462935656.db2.gz VNDUMGOMTHETNG-ZVVFDCPKSA-N 1 0 331.416 2.405 20 5 EEBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000050995554 463015085 /nfs/dbraw/zinc/01/50/85/463015085.db2.gz MPBYMGSZFGCWIE-AWEZNQCLSA-N 1 0 335.404 2.212 20 5 EEBDRO COc1ccc(CC(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000067907404 463066141 /nfs/dbraw/zinc/06/61/41/463066141.db2.gz XMIGANRHEXEIMY-UHFFFAOYSA-N 1 0 335.404 2.137 20 5 EEBDRO CC(=O)c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000052325948 463075723 /nfs/dbraw/zinc/07/57/23/463075723.db2.gz JPIWCSBXLWLVQR-UHFFFAOYSA-N 1 0 347.415 2.346 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068203708 463104981 /nfs/dbraw/zinc/10/49/81/463104981.db2.gz UKJMALMRLYYNPW-DOTOQJQBSA-N 1 0 342.399 2.293 20 5 EEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2cn3ccccc3n2)c1 ZINC000121302729 463113041 /nfs/dbraw/zinc/11/30/41/463113041.db2.gz UCEYMEJIGBYIIB-UHFFFAOYSA-N 1 0 331.353 2.358 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000078405117 463113349 /nfs/dbraw/zinc/11/33/49/463113349.db2.gz DXRTUAWZUGHSFD-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C)[NH+](C)C ZINC000068352337 463126003 /nfs/dbraw/zinc/12/60/03/463126003.db2.gz CXTXOJNLKXFTKK-NXEZZACHSA-N 1 0 329.784 2.082 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC12CCC2 ZINC000135505648 463166556 /nfs/dbraw/zinc/16/65/56/463166556.db2.gz CHRGJWKPJNQILP-UHFFFAOYSA-N 1 0 333.388 2.487 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000158345743 463228310 /nfs/dbraw/zinc/22/83/10/463228310.db2.gz OYHPMQRDVMIAOI-MRXNPFEDSA-N 1 0 346.431 2.402 20 5 EEBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069461701 463253218 /nfs/dbraw/zinc/25/32/18/463253218.db2.gz JMWSWUKRZZMYPN-IPKOWEFYSA-N 1 0 333.363 2.490 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000056528044 463407369 /nfs/dbraw/zinc/40/73/69/463407369.db2.gz WNKAYCIBJHGKDE-UHFFFAOYSA-N 1 0 336.348 2.107 20 5 EEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081333731 463421976 /nfs/dbraw/zinc/42/19/76/463421976.db2.gz GLQCTDMOVKJWLO-AWEZNQCLSA-N 1 0 334.420 2.197 20 5 EEBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000124607311 463441957 /nfs/dbraw/zinc/44/19/57/463441957.db2.gz MUIGYPNMHKCYOM-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1SC ZINC000161686793 463449435 /nfs/dbraw/zinc/44/94/35/463449435.db2.gz CFDNKDYTKILTMH-NXEZZACHSA-N 1 0 339.417 2.325 20 5 EEBDRO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057716178 463512984 /nfs/dbraw/zinc/51/29/84/463512984.db2.gz JGFZRTPKXJTPTG-ZDUSSCGKSA-N 1 0 334.420 2.386 20 5 EEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H]([NH+]4CCCC4)C3)cc2N1 ZINC000170710247 463698656 /nfs/dbraw/zinc/69/86/56/463698656.db2.gz GPCUSRIMTIESQQ-ZDUSSCGKSA-N 1 0 330.388 2.154 20 5 EEBDRO O=C(NCCCCC[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193574976 463718773 /nfs/dbraw/zinc/71/87/73/463718773.db2.gz LAYXZYOMDLAMOT-UHFFFAOYSA-N 1 0 336.392 2.081 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286846953 463723110 /nfs/dbraw/zinc/72/31/10/463723110.db2.gz BDJRSKYCFZUOJW-BBRMVZONSA-N 1 0 346.431 2.261 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000276940531 463813127 /nfs/dbraw/zinc/81/31/27/463813127.db2.gz ZEKBBRHGNKLNJG-UHFFFAOYSA-N 1 0 337.424 2.293 20 5 EEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000185431278 463822250 /nfs/dbraw/zinc/82/22/50/463822250.db2.gz AQRYPXWFMPQPTO-LLVKDONJSA-N 1 0 338.383 2.310 20 5 EEBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277016466 463844892 /nfs/dbraw/zinc/84/48/92/463844892.db2.gz QMMZVXVQKHUVIN-GOEBONIOSA-N 1 0 333.388 2.031 20 5 EEBDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000269284951 463941280 /nfs/dbraw/zinc/94/12/80/463941280.db2.gz QVMBUKVWXNLVHH-HOCLYGCPSA-N 1 0 330.388 2.274 20 5 EEBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000269349877 463960917 /nfs/dbraw/zinc/96/09/17/463960917.db2.gz JGIQCYOFVBJPFT-UHFFFAOYSA-N 1 0 332.404 2.337 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000269356662 463963208 /nfs/dbraw/zinc/96/32/08/463963208.db2.gz HYVHPDAYHGTJNX-UHFFFAOYSA-N 1 0 325.413 2.290 20 5 EEBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186399120 463992405 /nfs/dbraw/zinc/99/24/05/463992405.db2.gz RUSZIYXXHMLUDG-ZBFHGGJFSA-N 1 0 335.404 2.377 20 5 EEBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000187609818 464143731 /nfs/dbraw/zinc/14/37/31/464143731.db2.gz WRUKQYQZHDMNKF-KRWDZBQOSA-N 1 0 335.404 2.408 20 5 EEBDRO COc1cc(C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180156805 464255282 /nfs/dbraw/zinc/25/52/82/464255282.db2.gz XDFKYYFSEIOPND-UHFFFAOYSA-N 1 0 348.346 2.450 20 5 EEBDRO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000270938368 464271190 /nfs/dbraw/zinc/27/11/90/464271190.db2.gz IVXKVMOTXFZISC-UHFFFAOYSA-N 1 0 344.371 2.015 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292557570 464272874 /nfs/dbraw/zinc/27/28/74/464272874.db2.gz AUKSFPMXMBMCJB-MRXNPFEDSA-N 1 0 336.388 2.362 20 5 EEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000180260897 464275359 /nfs/dbraw/zinc/27/53/59/464275359.db2.gz XTEIELPQBZICFO-UHFFFAOYSA-N 1 0 347.371 2.024 20 5 EEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000173599312 464291228 /nfs/dbraw/zinc/29/12/28/464291228.db2.gz FIAJZEMLMMYEEH-CQSZACIVSA-N 1 0 335.404 2.164 20 5 EEBDRO CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000271358243 464294000 /nfs/dbraw/zinc/29/40/00/464294000.db2.gz QOKDFPSHQGHLPM-LRDDRELGSA-N 1 0 330.388 2.198 20 5 EEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1S(N)(=O)=O ZINC000292872450 464371212 /nfs/dbraw/zinc/37/12/12/464371212.db2.gz XGDAGNIYAZKQMC-LBPRGKRZSA-N 1 0 349.412 2.435 20 5 EEBDRO C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174314539 464392881 /nfs/dbraw/zinc/39/28/81/464392881.db2.gz CPWCFWWKWNTUPA-QWHCGFSZSA-N 1 0 341.433 2.041 20 5 EEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000285017749 464428205 /nfs/dbraw/zinc/42/82/05/464428205.db2.gz HISFORYOORSYHV-UONOGXRCSA-N 1 0 326.418 2.083 20 5 EEBDRO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000272073939 464468287 /nfs/dbraw/zinc/46/82/87/464468287.db2.gz ZWSSIKZDPDRJDX-SFHVURJKSA-N 1 0 347.415 2.111 20 5 EEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+](C)C1CC1 ZINC000181466144 464494139 /nfs/dbraw/zinc/49/41/39/464494139.db2.gz HJSKQIQLSNOQIO-SECBINFHSA-N 1 0 343.330 2.409 20 5 EEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181629435 464516234 /nfs/dbraw/zinc/51/62/34/464516234.db2.gz VRNNLPOAHXRTFZ-DGCLKSJQSA-N 1 0 349.435 2.020 20 5 EEBDRO CC(C)N1CC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000175281304 464518786 /nfs/dbraw/zinc/51/87/86/464518786.db2.gz WXVFCDCAUSZBPW-KRWDZBQOSA-N 1 0 347.415 2.447 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000281674400 464543851 /nfs/dbraw/zinc/54/38/51/464543851.db2.gz UEOBEAWRZDURRS-HIFRSBDPSA-N 1 0 347.415 2.271 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272381132 464586517 /nfs/dbraw/zinc/58/65/17/464586517.db2.gz VOLJMVNDNIACPS-UHFFFAOYSA-N 1 0 343.330 2.364 20 5 EEBDRO CN(C)C(=O)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182177552 464591732 /nfs/dbraw/zinc/59/17/32/464591732.db2.gz IOVOKUIBYXZPSR-UHFFFAOYSA-N 1 0 335.404 2.164 20 5 EEBDRO CS[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+](C)C ZINC000272417430 464600699 /nfs/dbraw/zinc/60/06/99/464600699.db2.gz ZQYMUSMCPXKTCA-UONOGXRCSA-N 1 0 338.433 2.413 20 5 EEBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176200281 464719127 /nfs/dbraw/zinc/71/91/27/464719127.db2.gz YLYJIVOKEXVPFM-AWEZNQCLSA-N 1 0 343.387 2.142 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000295197790 464741787 /nfs/dbraw/zinc/74/17/87/464741787.db2.gz YFVLFIUOHDOKBJ-AWEZNQCLSA-N 1 0 337.376 2.266 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265948804 464744859 /nfs/dbraw/zinc/74/48/59/464744859.db2.gz DIQYSYYAEJLIDE-VIFPVBQESA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568991904 468418923 /nfs/dbraw/zinc/41/89/23/468418923.db2.gz YQRSHBCWZIIIJM-RHSMWYFYSA-N 1 0 346.431 2.498 20 5 EEBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000295411365 464820802 /nfs/dbraw/zinc/82/08/02/464820802.db2.gz SLMSPRHHMPDMPM-LBPRGKRZSA-N 1 0 332.404 2.042 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)n1 ZINC000177148692 464943242 /nfs/dbraw/zinc/94/32/42/464943242.db2.gz GLOUXQGWGZTQBG-MRXNPFEDSA-N 1 0 330.388 2.125 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268240476 464988396 /nfs/dbraw/zinc/98/83/96/464988396.db2.gz USSXWZUKSJLVMX-BONVTDFDSA-N 1 0 337.807 2.390 20 5 EEBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000177356555 464993850 /nfs/dbraw/zinc/99/38/50/464993850.db2.gz GOZFJGZRLXINRH-UHFFFAOYSA-N 1 0 331.376 2.190 20 5 EEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000268273684 465002210 /nfs/dbraw/zinc/00/22/10/465002210.db2.gz VTZLOWZWIKBUAL-LRDDRELGSA-N 1 0 331.416 2.471 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000282925255 465004773 /nfs/dbraw/zinc/00/47/73/465004773.db2.gz WROVMWGMCRZXMT-DOMZBBRYSA-N 1 0 335.404 2.406 20 5 EEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000177429503 465012672 /nfs/dbraw/zinc/01/26/72/465012672.db2.gz KELZSOPOBNLIHM-UHFFFAOYSA-N 1 0 349.435 2.407 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000579921644 468433352 /nfs/dbraw/zinc/43/33/52/468433352.db2.gz UUEYCHFDGMNBLO-CYBMUJFWSA-N 1 0 335.404 2.089 20 5 EEBDRO Cc1cc(NCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339691250 465447813 /nfs/dbraw/zinc/44/78/13/465447813.db2.gz METCVEYYYOSNND-UHFFFAOYSA-N 1 0 327.388 2.290 20 5 EEBDRO Cc1cc(N2C[C@@H](O)[C@@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359954151 465509328 /nfs/dbraw/zinc/50/93/28/465509328.db2.gz JTOHWOIPXOPIKH-QWHCGFSZSA-N 1 0 333.310 2.033 20 5 EEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000362241859 465599699 /nfs/dbraw/zinc/59/96/99/465599699.db2.gz ZORGMWYHULBLRQ-UHFFFAOYSA-N 1 0 330.363 2.494 20 5 EEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299226739 465655976 /nfs/dbraw/zinc/65/59/76/465655976.db2.gz QGGPIQIBKSGLFN-KBPBESRZSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371350074 465734381 /nfs/dbraw/zinc/73/43/81/465734381.db2.gz PIVDPROPVSYCKZ-HZPDHXFCSA-N 1 0 332.448 2.365 20 5 EEBDRO CSc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361111452 465771686 /nfs/dbraw/zinc/77/16/86/465771686.db2.gz RSWHNPGXTPOXET-CHWSQXEVSA-N 1 0 335.429 2.435 20 5 EEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591352754 468456193 /nfs/dbraw/zinc/45/61/93/468456193.db2.gz IMOKDYKQEPYBCR-NVXWUHKLSA-N 1 0 346.431 2.311 20 5 EEBDRO CC[N@@H+]1CCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447461 465890542 /nfs/dbraw/zinc/89/05/42/465890542.db2.gz MAMRQADXVNFXTP-SJORKVTESA-N 1 0 343.431 2.492 20 5 EEBDRO Cn1ccnc1[C@H](NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353455387 465896268 /nfs/dbraw/zinc/89/62/68/465896268.db2.gz PSOGXMKXSGVZFY-MRXNPFEDSA-N 1 0 329.404 2.102 20 5 EEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591361405 468459663 /nfs/dbraw/zinc/45/96/63/468459663.db2.gz AFIHJKCIDGNVKE-JKSUJKDBSA-N 1 0 344.415 2.051 20 5 EEBDRO COC[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[NH2+]1 ZINC000357276125 465906711 /nfs/dbraw/zinc/90/67/11/465906711.db2.gz SQNPNGXUSRRRFI-INIZCTEOSA-N 1 0 349.412 2.308 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357384482 465994767 /nfs/dbraw/zinc/99/47/67/465994767.db2.gz FGJVGVGVRBKZGJ-DZGCQCFKSA-N 1 0 334.420 2.386 20 5 EEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346229216 466011416 /nfs/dbraw/zinc/01/14/16/466011416.db2.gz RROIBABDPILOCV-ZQIUZPCESA-N 1 0 331.416 2.326 20 5 EEBDRO CC(C)C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](C)C ZINC000362828538 466055403 /nfs/dbraw/zinc/05/54/03/466055403.db2.gz UWJLMGUMJJVVIK-CQSZACIVSA-N 1 0 333.392 3.033 20 5 EEBDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331404676 466067894 /nfs/dbraw/zinc/06/78/94/466067894.db2.gz DZZSXKJMFBLOKF-CVEARBPZSA-N 1 0 346.435 2.458 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367059734 466101845 /nfs/dbraw/zinc/10/18/45/466101845.db2.gz JZCVHHKCHVHGRH-JKSUJKDBSA-N 1 0 332.448 2.365 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccnc(C[NH3+])c1 ZINC000361609021 466140214 /nfs/dbraw/zinc/14/02/14/466140214.db2.gz HYDIIWHNCSYXCO-UHFFFAOYSA-N 1 0 328.372 2.499 20 5 EEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000357857833 466267963 /nfs/dbraw/zinc/26/79/63/466267963.db2.gz GNEJKVOUQIHGHE-XHDPSFHLSA-N 1 0 331.376 2.048 20 5 EEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(F)cc1 ZINC000304326679 466283753 /nfs/dbraw/zinc/28/37/53/466283753.db2.gz STDNDWKJGHPXNT-BLLLJJGKSA-N 1 0 336.367 2.374 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000361832438 466332194 /nfs/dbraw/zinc/33/21/94/466332194.db2.gz YMVMBZUEUOEJAJ-VXGBXAGGSA-N 1 0 334.376 2.205 20 5 EEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577700 468485871 /nfs/dbraw/zinc/48/58/71/468485871.db2.gz BBABGGYSYCGKDM-HOCLYGCPSA-N 1 0 329.404 2.149 20 5 EEBDRO O=C1CCCCN1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000305165562 466364083 /nfs/dbraw/zinc/36/40/83/466364083.db2.gz HLSKBLHTSFNNRF-KRWDZBQOSA-N 1 0 347.415 2.105 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354223116 466392676 /nfs/dbraw/zinc/39/26/76/466392676.db2.gz NFTBRFOCUQEPTF-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO Cc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000350324813 466462868 /nfs/dbraw/zinc/46/28/68/466462868.db2.gz XVZJKQAOMSSPGM-UHFFFAOYSA-N 1 0 341.433 2.010 20 5 EEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000338897436 466467911 /nfs/dbraw/zinc/46/79/11/466467911.db2.gz BBHXSOIJFDBVLL-UHFFFAOYSA-N 1 0 339.392 2.026 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000358119491 466473495 /nfs/dbraw/zinc/47/34/95/466473495.db2.gz OKMGFYXSJXDCTJ-UHFFFAOYSA-N 1 0 342.399 2.303 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000372702495 466546224 /nfs/dbraw/zinc/54/62/24/466546224.db2.gz MJUCKUKKZFQORP-UHFFFAOYSA-N 1 0 335.452 2.416 20 5 EEBDRO Cc1c(CC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591651660 468497982 /nfs/dbraw/zinc/49/79/82/468497982.db2.gz FSBYQDSSTCMHCP-ZDUSSCGKSA-N 1 0 331.416 2.436 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000363674131 466552334 /nfs/dbraw/zinc/55/23/34/466552334.db2.gz OGHYELBDOXIVMB-IAOVAPTHSA-N 1 0 346.431 2.373 20 5 EEBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1OC ZINC000354523135 466628358 /nfs/dbraw/zinc/62/83/58/466628358.db2.gz PMIZQXSMUGWCNO-ZDUSSCGKSA-N 1 0 347.375 2.117 20 5 EEBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000325435743 466658234 /nfs/dbraw/zinc/65/82/34/466658234.db2.gz SQVYUTXJLSZIPL-MRXNPFEDSA-N 1 0 339.392 2.105 20 5 EEBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415437585 466679612 /nfs/dbraw/zinc/67/96/12/466679612.db2.gz KTCIFJWOBITYDQ-IJLUTSLNSA-N 1 0 334.376 2.113 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000365489592 466835746 /nfs/dbraw/zinc/83/57/46/466835746.db2.gz FWUVIUBWTDCMCY-JFIYKMOQSA-N 1 0 331.416 2.425 20 5 EEBDRO [NH3+]CC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417720485 466917041 /nfs/dbraw/zinc/91/70/41/466917041.db2.gz RYVKBOQISYTMJQ-UHFFFAOYSA-N 1 0 334.420 2.298 20 5 EEBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000423958857 466928861 /nfs/dbraw/zinc/92/88/61/466928861.db2.gz MOSDXUBHYRYUFF-AWEZNQCLSA-N 1 0 343.387 2.028 20 5 EEBDRO COC(=O)[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000411908948 466930374 /nfs/dbraw/zinc/93/03/74/466930374.db2.gz FDAUJLBUTMPGLY-KBPBESRZSA-N 1 0 335.404 2.001 20 5 EEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000424038098 466959543 /nfs/dbraw/zinc/95/95/43/466959543.db2.gz HVGRUVZQEYRSJC-QGZVFWFLSA-N 1 0 347.415 2.210 20 5 EEBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424049980 466963397 /nfs/dbraw/zinc/96/33/97/466963397.db2.gz AMZLZANKPOXJQA-MCIONIFRSA-N 1 0 335.404 2.196 20 5 EEBDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000424204766 467002638 /nfs/dbraw/zinc/00/26/38/467002638.db2.gz LYNYWNRPHMMQCU-CYBMUJFWSA-N 1 0 343.339 2.092 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000417980585 467008656 /nfs/dbraw/zinc/00/86/56/467008656.db2.gz BGSHZDYKWGSNAY-ZWNOBZJWSA-N 1 0 340.811 2.230 20 5 EEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000377132154 467037505 /nfs/dbraw/zinc/03/75/05/467037505.db2.gz WPQUAAYOPGZPTG-PMPSAXMXSA-N 1 0 342.399 2.333 20 5 EEBDRO [NH3+][C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000418085853 467041463 /nfs/dbraw/zinc/04/14/63/467041463.db2.gz BFGXWZRJRQNTNG-LBPRGKRZSA-N 1 0 346.309 2.150 20 5 EEBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418096494 467044459 /nfs/dbraw/zinc/04/44/59/467044459.db2.gz XIIVGFWLJGWEBO-VIFPVBQESA-N 1 0 346.309 2.117 20 5 EEBDRO CCOC(=O)c1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366130522 467066565 /nfs/dbraw/zinc/06/65/65/467066565.db2.gz RHLHCGCVXOVUDP-KRWDZBQOSA-N 1 0 333.388 2.304 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418342415 467095517 /nfs/dbraw/zinc/09/55/17/467095517.db2.gz IRECNNAVIFFUBK-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418380351 467102719 /nfs/dbraw/zinc/10/27/19/467102719.db2.gz HBJWALDOERNOFL-HIFRSBDPSA-N 1 0 334.420 2.339 20 5 EEBDRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000428244538 467215733 /nfs/dbraw/zinc/21/57/33/467215733.db2.gz ZCJYBMZNNOMGJK-CQSZACIVSA-N 1 0 334.420 2.338 20 5 EEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000428960560 467284246 /nfs/dbraw/zinc/28/42/46/467284246.db2.gz CISYCPYTTWNCKR-JQWIXIFHSA-N 1 0 325.796 2.295 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429318401 467324789 /nfs/dbraw/zinc/32/47/89/467324789.db2.gz RFSJDFDBGZJNNX-ZDUSSCGKSA-N 1 0 341.367 2.304 20 5 EEBDRO Cc1cc(N2CCC(O)(C[NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420267225 467333675 /nfs/dbraw/zinc/33/36/75/467333675.db2.gz FGEIJBFAVAXYMI-UHFFFAOYSA-N 1 0 333.310 2.212 20 5 EEBDRO Cc1noc(C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc2)n1 ZINC000429534142 467342818 /nfs/dbraw/zinc/34/28/18/467342818.db2.gz YZNDCWDGFGULQW-OAHLLOKOSA-N 1 0 342.359 2.056 20 5 EEBDRO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000429841187 467375119 /nfs/dbraw/zinc/37/51/19/467375119.db2.gz OQOYNWCBGDJYPZ-ZDUSSCGKSA-N 1 0 331.416 2.473 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408122 467397851 /nfs/dbraw/zinc/39/78/51/467397851.db2.gz OYRIITHTPDYWSY-FPMFFAJLSA-N 1 0 334.420 2.147 20 5 EEBDRO CC[NH+]1CCC(N2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)CC1 ZINC000420628614 467437304 /nfs/dbraw/zinc/43/73/04/467437304.db2.gz PRVWANMRLIWJFK-UHFFFAOYSA-N 1 0 347.463 2.295 20 5 EEBDRO C[NH+](C)CCOC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434944168 467437647 /nfs/dbraw/zinc/43/76/47/467437647.db2.gz UNZJAXPVURBVCI-UHFFFAOYSA-N 1 0 328.800 2.190 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573923 467443202 /nfs/dbraw/zinc/44/32/02/467443202.db2.gz NENLOVFHPFHTCE-WCQYABFASA-N 1 0 331.376 2.204 20 5 EEBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618398 467482719 /nfs/dbraw/zinc/48/27/19/467482719.db2.gz SPDNYHYZJRWIAY-ZDUSSCGKSA-N 1 0 331.376 2.219 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000420827525 467493081 /nfs/dbraw/zinc/49/30/81/467493081.db2.gz CFOREQVLMLXPFO-ZDUSSCGKSA-N 1 0 340.811 2.484 20 5 EEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000431705576 467534462 /nfs/dbraw/zinc/53/44/62/467534462.db2.gz RIKRFLBYMOCXFZ-WMLDXEAASA-N 1 0 346.387 2.265 20 5 EEBDRO CNc1nc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454963527 467626679 /nfs/dbraw/zinc/62/66/79/467626679.db2.gz UXFJDAUWHIYBCD-GFCCVEGCSA-N 1 0 349.435 2.272 20 5 EEBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CCC[N@H+]1CCCO ZINC000450599239 467877450 /nfs/dbraw/zinc/87/74/50/467877450.db2.gz SIOHTRDGWRFTNG-CYBMUJFWSA-N 1 0 330.388 2.402 20 5 EEBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000493684272 467963316 /nfs/dbraw/zinc/96/33/16/467963316.db2.gz LWZGDBHEIWLCAW-UKQVFJHPSA-N 1 0 333.363 2.205 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000493690143 467964759 /nfs/dbraw/zinc/96/47/59/467964759.db2.gz YQZAUMCCHXFPGZ-XGWLTEMNSA-N 1 0 335.404 2.371 20 5 EEBDRO COc1ccc(CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000530913020 468017667 /nfs/dbraw/zinc/01/76/67/468017667.db2.gz RWLYLMDJZQRBKF-KGLIPLIRSA-N 1 0 335.404 2.135 20 5 EEBDRO CC(C)[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000487706823 468050575 /nfs/dbraw/zinc/05/05/75/468050575.db2.gz IAQDKCYOIMPIDV-HNNXBMFYSA-N 1 0 341.358 2.214 20 5 EEBDRO COCCSCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488235697 468078269 /nfs/dbraw/zinc/07/82/69/468078269.db2.gz VRUSRCRLNSPCRB-CYBMUJFWSA-N 1 0 340.449 2.246 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000532542106 468123520 /nfs/dbraw/zinc/12/35/20/468123520.db2.gz DYNXCDAKMZEUNI-BXUZGUMPSA-N 1 0 343.387 2.182 20 5 EEBDRO COC(C)(C)C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000533478792 468204098 /nfs/dbraw/zinc/20/40/98/468204098.db2.gz WFFIQQLDMCXCSY-UHFFFAOYSA-N 1 0 337.376 2.250 20 5 EEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000594195320 468508081 /nfs/dbraw/zinc/50/80/81/468508081.db2.gz FNZGYIOGDOVTAV-QWHCGFSZSA-N 1 0 347.371 2.070 20 5 EEBDRO CCC1(O)CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591757531 468515260 /nfs/dbraw/zinc/51/52/60/468515260.db2.gz CUDPCWFEAYKJKP-XOYHFGRZSA-N 1 0 338.404 2.008 20 5 EEBDRO COc1cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000594517355 468613393 /nfs/dbraw/zinc/61/33/93/468613393.db2.gz ASOYIOSGAXEAET-SNVBAGLBSA-N 1 0 340.376 2.376 20 5 EEBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000582983851 468625598 /nfs/dbraw/zinc/62/55/98/468625598.db2.gz UIXJJXZVQCLVTN-HNNXBMFYSA-N 1 0 349.431 2.479 20 5 EEBDRO COc1cccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597709977 468647407 /nfs/dbraw/zinc/64/74/07/468647407.db2.gz FOJUZSXWDKFSCH-KRWDZBQOSA-N 1 0 333.388 2.161 20 5 EEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592379991 468686166 /nfs/dbraw/zinc/68/61/66/468686166.db2.gz GWNALFWYZOCGHV-PWSUYJOCSA-N 1 0 340.401 2.130 20 5 EEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592432354 468697050 /nfs/dbraw/zinc/69/70/50/468697050.db2.gz FEIFACFOXGPZEE-ZWNOBZJWSA-N 1 0 327.331 2.380 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583605327 468721631 /nfs/dbraw/zinc/72/16/31/468721631.db2.gz ATKNDFFNJRWAEU-LLVKDONJSA-N 1 0 331.294 2.484 20 5 EEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147436 468760350 /nfs/dbraw/zinc/76/03/50/468760350.db2.gz NIKOIDLFCDMLDD-CHWSQXEVSA-N 1 0 330.388 2.034 20 5 EEBDRO C[C@@H]1[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[N@@H+]1C ZINC000592768754 468780855 /nfs/dbraw/zinc/78/08/55/468780855.db2.gz MCCICHLTHYEFNM-CXAGYDPISA-N 1 0 347.415 2.305 20 5 EEBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571396421 468782294 /nfs/dbraw/zinc/78/22/94/468782294.db2.gz FPHRUNYMWCRIGE-SMDDNHRTSA-N 1 0 349.387 2.333 20 5 EEBDRO COC(=O)c1ccnc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601215762 468784584 /nfs/dbraw/zinc/78/45/84/468784584.db2.gz APMJMSPQRLDLKB-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO C[C@@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592788962 468786691 /nfs/dbraw/zinc/78/66/91/468786691.db2.gz RBEXHGOHPPBUSU-ZWNOBZJWSA-N 1 0 325.796 2.247 20 5 EEBDRO COc1ccc(OCC[NH+]2CCC([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000593083682 468864699 /nfs/dbraw/zinc/86/46/99/468864699.db2.gz LEAZZCSUBHTVKU-CYBMUJFWSA-N 1 0 338.404 2.323 20 5 EEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000601439687 468874354 /nfs/dbraw/zinc/87/43/54/468874354.db2.gz IRNMNKPXDPEYHR-ZDUSSCGKSA-N 1 0 341.433 2.008 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000561224092 468878302 /nfs/dbraw/zinc/87/83/02/468878302.db2.gz JQJHTYZTNXRRSD-GXTWGEPZSA-N 1 0 332.404 2.180 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695850 468958968 /nfs/dbraw/zinc/95/89/68/468958968.db2.gz IHMHTMINKWPRLJ-DZGCQCFKSA-N 1 0 338.404 2.465 20 5 EEBDRO COCCc1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000602658595 468994391 /nfs/dbraw/zinc/99/43/91/468994391.db2.gz FMWMCFSOYMICHX-UHFFFAOYSA-N 1 0 336.417 2.206 20 5 EEBDRO CN(CC[NH+]1CCCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000593515669 469012281 /nfs/dbraw/zinc/01/22/81/469012281.db2.gz HBQXANFAKPMNCI-UHFFFAOYSA-N 1 0 331.376 2.166 20 5 EEBDRO CC(C)[NH+](CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C(C)C ZINC000586948219 469083622 /nfs/dbraw/zinc/08/36/22/469083622.db2.gz RKFMGLCEESNEPT-UHFFFAOYSA-N 1 0 349.435 2.316 20 5 EEBDRO CC(C)C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+](C)C ZINC000587100852 469086322 /nfs/dbraw/zinc/08/63/22/469086322.db2.gz DBXJEUDREJHPHC-LBPRGKRZSA-N 1 0 349.435 2.173 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000573250869 469092735 /nfs/dbraw/zinc/09/27/35/469092735.db2.gz IJEOECMKMPDCLU-INIZCTEOSA-N 1 0 348.447 2.301 20 5 EEBDRO Cc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980497 469126332 /nfs/dbraw/zinc/12/63/32/469126332.db2.gz LTVDTEIHEPZSSG-BXUZGUMPSA-N 1 0 327.388 2.335 20 5 EEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563169208 469186887 /nfs/dbraw/zinc/18/68/87/469186887.db2.gz FMQARFLXEJHUPM-QWHCGFSZSA-N 1 0 334.420 2.053 20 5 EEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602097362 469187739 /nfs/dbraw/zinc/18/77/39/469187739.db2.gz NCZRFKMLUDNOJI-MRXNPFEDSA-N 1 0 333.388 2.107 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000602955174 469188320 /nfs/dbraw/zinc/18/83/20/469188320.db2.gz YLTFRNUHQHIYCP-UHFFFAOYSA-N 1 0 349.435 2.306 20 5 EEBDRO C[NH+](C)CCOCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596185632 469192062 /nfs/dbraw/zinc/19/20/62/469192062.db2.gz ZDQNSYMWUZRFQZ-UHFFFAOYSA-N 1 0 332.198 2.347 20 5 EEBDRO C[C@H]1C[NH+](CCCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589113790 469196632 /nfs/dbraw/zinc/19/66/32/469196632.db2.gz SRBIEHGEDSKSIV-RYUDHWBXSA-N 1 0 342.827 2.366 20 5 EEBDRO Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000611218624 469196970 /nfs/dbraw/zinc/19/69/70/469196970.db2.gz JAQWZCKMSJGSLZ-UHFFFAOYSA-N 1 0 344.371 2.491 20 5 EEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222679 469197860 /nfs/dbraw/zinc/19/78/60/469197860.db2.gz GDJWELBKXJLVGF-NSHDSACASA-N 1 0 326.356 2.110 20 5 EEBDRO CCC1(CO)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611273672 469217328 /nfs/dbraw/zinc/21/73/28/469217328.db2.gz KIXBAZSZSYGRMB-UHFFFAOYSA-N 1 0 336.388 2.351 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(CN2CCC([NH+]3CCOCC3)CC2)c(F)c1 ZINC000599471944 469268308 /nfs/dbraw/zinc/26/83/08/469268308.db2.gz IDHHSZZHDHRFDA-UHFFFAOYSA-N 1 0 341.358 2.170 20 5 EEBDRO COCCC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000599505952 469279548 /nfs/dbraw/zinc/27/95/48/469279548.db2.gz FKQUYBXGUOSHIX-HNNXBMFYSA-N 1 0 338.404 2.083 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602497921 469340648 /nfs/dbraw/zinc/34/06/48/469340648.db2.gz XVJCZPSXWVXECU-RKDXNWHRSA-N 1 0 342.193 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCCCC3)CC2)cn1 ZINC000602511505 469344184 /nfs/dbraw/zinc/34/41/84/469344184.db2.gz NNICEFXJTWTDEV-UHFFFAOYSA-N 1 0 347.463 2.424 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000616240114 469404261 /nfs/dbraw/zinc/40/42/61/469404261.db2.gz FUSCEVRUZZFXEH-ZDUSSCGKSA-N 1 0 334.420 2.433 20 5 EEBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CNc3ccnn3C2)C2CC2)c1 ZINC000619264729 469564068 /nfs/dbraw/zinc/56/40/68/469564068.db2.gz KNZOSEWOTSUICD-AWEZNQCLSA-N 1 0 327.388 2.498 20 5 EEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000619491164 469624146 /nfs/dbraw/zinc/62/41/46/469624146.db2.gz OQAFFPBCLLZHGE-OLZOCXBDSA-N 1 0 339.465 2.136 20 5 EEBDRO Cc1cc(OCC(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000619535746 469633153 /nfs/dbraw/zinc/63/31/53/469633153.db2.gz CYBJNTHKNXPYPM-CYBMUJFWSA-N 1 0 335.404 2.129 20 5 EEBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000609620919 469949222 /nfs/dbraw/zinc/94/92/22/469949222.db2.gz CUYMQUUDYRWGJD-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2N)o1 ZINC000184335725 533883351 /nfs/dbraw/zinc/88/33/51/533883351.db2.gz GSPDBZSQLCCWFO-UHFFFAOYSA-N 1 0 346.387 2.282 20 5 EEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418795554 534764745 /nfs/dbraw/zinc/76/47/45/534764745.db2.gz QKMNZALFPMWREC-IIAWOOMASA-N 1 0 344.415 2.051 20 5 EEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000158971674 528278942 /nfs/dbraw/zinc/27/89/42/528278942.db2.gz HBCOCXRRACMTJB-CYBMUJFWSA-N 1 0 331.376 2.131 20 5 EEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191651941 528436064 /nfs/dbraw/zinc/43/60/64/528436064.db2.gz VNJPNTLPCYVYRQ-QGZVFWFLSA-N 1 0 335.404 2.406 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493456472 535935899 /nfs/dbraw/zinc/93/58/99/535935899.db2.gz IRKPSWANZHVKQV-YVMONPNESA-N 1 0 329.360 2.005 20 5 EEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451630888 536646486 /nfs/dbraw/zinc/64/64/86/536646486.db2.gz KDOGOQJZJOWPOU-TZMCWYRMSA-N 1 0 335.360 2.050 20 5 EEBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000734004956 577269723 /nfs/dbraw/zinc/26/97/23/577269723.db2.gz NMSMLZNGPCVPTF-GOSISDBHSA-N 1 0 344.367 2.363 20 5 EEBDRO CCCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574560 577462858 /nfs/dbraw/zinc/46/28/58/577462858.db2.gz JCPQFTYHQKLJFC-KRWDZBQOSA-N 1 0 349.431 2.257 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000776587456 577463438 /nfs/dbraw/zinc/46/34/38/577463438.db2.gz HEPYJQWJFIGWKN-YJBOKZPZSA-N 1 0 333.432 2.436 20 5 EEBDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847359 577508204 /nfs/dbraw/zinc/50/82/04/577508204.db2.gz BDDWJBWZNULATH-FUHWJXTLSA-N 1 0 330.384 2.476 20 5 EEBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768555426 577558391 /nfs/dbraw/zinc/55/83/91/577558391.db2.gz SKIVHMJJKSZYPM-UHFFFAOYSA-N 1 0 327.812 2.137 20 5 EEBDRO Cc1c(C(=O)N(C)CCCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000747398575 577943579 /nfs/dbraw/zinc/94/35/79/577943579.db2.gz HBQSLGDSXYSNDH-UHFFFAOYSA-N 1 0 338.364 2.225 20 5 EEBDRO COc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749647605 577979423 /nfs/dbraw/zinc/97/94/23/577979423.db2.gz OQBPSBNBRMRHCB-INIZCTEOSA-N 1 0 346.383 2.478 20 5 EEBDRO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000740859053 578108241 /nfs/dbraw/zinc/10/82/41/578108241.db2.gz IRCQPUKFRKRWMR-QFSBIZTOSA-N 1 0 346.387 2.050 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820091837 606808775 /nfs/dbraw/zinc/80/87/75/606808775.db2.gz BFRJJJLCBXAKCC-LBPRGKRZSA-N 1 0 345.407 2.165 20 5 EEBDRO CC[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825147569 608552279 /nfs/dbraw/zinc/55/22/79/608552279.db2.gz JNCCECJQXZJIAI-AWEZNQCLSA-N 1 0 339.359 2.411 20 5 EEBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCOCC1 ZINC001020750628 675470913 /nfs/dbraw/zinc/47/09/13/675470913.db2.gz USAYDFLFRBZCGH-SHTZXODSSA-N 1 0 347.415 2.148 20 5 EEBDRO Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001021885104 676534806 /nfs/dbraw/zinc/53/48/06/676534806.db2.gz YVVHDKFPCZWODY-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CC1 ZINC000840878124 679813653 /nfs/dbraw/zinc/81/36/53/679813653.db2.gz FOEWRLNWQBXZMB-LBPRGKRZSA-N 1 0 326.418 2.083 20 5 EEBDRO Cc1c(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000894395292 682801761 /nfs/dbraw/zinc/80/17/61/682801761.db2.gz CNVRHWBNYQHTJI-HOTGVXAUSA-N 1 0 332.404 2.281 20 5 EEBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001019995952 683512150 /nfs/dbraw/zinc/51/21/50/683512150.db2.gz PMKCSAGTUHRDHV-SHTZXODSSA-N 1 0 340.383 2.349 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001026145885 683914402 /nfs/dbraw/zinc/91/44/02/683914402.db2.gz UZGWJLBIQNZKGH-QLPKVWCKSA-N 1 0 340.383 2.092 20 5 EEBDRO Cc1c(C(=O)NC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029092083 684044154 /nfs/dbraw/zinc/04/41/54/684044154.db2.gz XJSLRIOFEDEVSM-UHFFFAOYSA-N 1 0 348.359 2.168 20 5 EEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000895273516 684421760 /nfs/dbraw/zinc/42/17/60/684421760.db2.gz YBAQJKHNZPOHQJ-AWEZNQCLSA-N 1 0 340.383 2.270 20 5 EEBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000895487790 684617811 /nfs/dbraw/zinc/61/78/11/684617811.db2.gz JYCSCRCNCGWLIL-UHFFFAOYSA-N 1 0 325.368 2.316 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909612537 687131103 /nfs/dbraw/zinc/13/11/03/687131103.db2.gz MTTXBIDDRXMBOA-UHFFFAOYSA-N 1 0 345.403 2.499 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310745714 687649039 /nfs/dbraw/zinc/64/90/39/687649039.db2.gz GZIAUSBMZCOCQI-MJGOQNOKSA-N 1 0 341.411 2.492 20 5 EEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000027763325 694472206 /nfs/dbraw/zinc/47/22/06/694472206.db2.gz UIZBNCAULSUQMU-NSHDSACASA-N 1 0 336.348 2.107 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124067921 1198159754 /nfs/dbraw/zinc/15/97/54/1198159754.db2.gz DTJVFRXORWGBOV-UHFFFAOYSA-N 1 0 349.840 2.352 20 5 EEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865576650 1198283996 /nfs/dbraw/zinc/28/39/96/1198283996.db2.gz SGJOZNAOIXNKIN-ZDUSSCGKSA-N 1 0 337.395 2.394 20 5 EEBDRO CCOC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000825692774 1198693761 /nfs/dbraw/zinc/69/37/61/1198693761.db2.gz JWRCAUFGHIJFLX-HNNXBMFYSA-N 1 0 347.415 2.375 20 5 EEBDRO CCc1c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001133840230 1199111359 /nfs/dbraw/zinc/11/13/59/1199111359.db2.gz UEUZZQOKSMAZGU-UHFFFAOYSA-N 1 0 330.388 2.015 20 5 EEBDRO C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000814649068 1199642831 /nfs/dbraw/zinc/64/28/31/1199642831.db2.gz IUSGUHYCRGLOSS-QZTJIDSGSA-N 1 0 330.384 2.164 20 5 EEBDRO CC(C)CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000825891205 1199710730 /nfs/dbraw/zinc/71/07/30/1199710730.db2.gz HGDKZRIOTTZFIW-KRWDZBQOSA-N 1 0 349.431 2.207 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877328161 1199903786 /nfs/dbraw/zinc/90/37/86/1199903786.db2.gz BXSNDMVAIPGPMM-AWEZNQCLSA-N 1 0 347.415 2.100 20 5 EEBDRO CCc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)co1 ZINC000877571409 1199968906 /nfs/dbraw/zinc/96/89/06/1199968906.db2.gz YEEKEBACIIFCEO-UHFFFAOYSA-N 1 0 331.376 2.299 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000811583500 1200155833 /nfs/dbraw/zinc/15/58/33/1200155833.db2.gz KONLXYGOQNZGJK-ZDUSSCGKSA-N 1 0 347.419 2.181 20 5 EEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000826068055 1200651893 /nfs/dbraw/zinc/65/18/93/1200651893.db2.gz BFLBMZDFESHDSF-CYBMUJFWSA-N 1 0 340.399 2.116 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]2C1 ZINC000812339151 1200669427 /nfs/dbraw/zinc/66/94/27/1200669427.db2.gz AIFROZOCYUTGHE-OCCSQVGLSA-N 1 0 342.399 2.029 20 5 EEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000879962048 1201325556 /nfs/dbraw/zinc/32/55/56/1201325556.db2.gz LPZWTEFCSXHVGN-ZDUSSCGKSA-N 1 0 338.404 2.465 20 5 EEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866341253 1201496111 /nfs/dbraw/zinc/49/61/11/1201496111.db2.gz LIJHIUCJTZCNGZ-RISCZKNCSA-N 1 0 339.367 2.485 20 5 EEBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000866350810 1201498066 /nfs/dbraw/zinc/49/80/66/1201498066.db2.gz CNVABAKUGJCYBX-HZUKXOBISA-N 1 0 326.368 2.449 20 5 EEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000884363970 1202302573 /nfs/dbraw/zinc/30/25/73/1202302573.db2.gz LLXCVDCDFBEZPM-NXEZZACHSA-N 1 0 342.193 2.213 20 5 EEBDRO C[C@](O)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000886026408 1202463901 /nfs/dbraw/zinc/46/39/01/1202463901.db2.gz WBRSYHDSEYWAQJ-HNNXBMFYSA-N 1 0 330.331 2.454 20 5 EEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000931047515 1206602680 /nfs/dbraw/zinc/60/26/80/1206602680.db2.gz ZZPNQFZGLNULNP-MFKMUULPSA-N 1 0 340.811 2.211 20 5 EEBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931959715 1207497111 /nfs/dbraw/zinc/49/71/11/1207497111.db2.gz FACOPNAWDVQTDM-SJORKVTESA-N 1 0 331.416 2.499 20 5 EEBDRO CS[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000935114757 1208097305 /nfs/dbraw/zinc/09/73/05/1208097305.db2.gz SUTIAFLPJRCQRV-KLHDSHLOSA-N 1 0 349.456 2.202 20 5 EEBDRO Cc1nn(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779862910 1211606288 /nfs/dbraw/zinc/60/62/88/1211606288.db2.gz IQYTZOJTAIMKMY-INIZCTEOSA-N 1 0 329.404 2.264 20 5 EEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000796335413 1213861938 /nfs/dbraw/zinc/86/19/38/1213861938.db2.gz SRAQOSDKHIMHDP-IACUBPJLSA-N 1 0 348.321 2.121 20 5 EEBDRO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC001095896702 1215742529 /nfs/dbraw/zinc/74/25/29/1215742529.db2.gz APYXBSKYINAZQZ-UHFFFAOYSA-N 1 0 346.431 2.023 20 5 EEBDRO Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000963786668 1218038773 /nfs/dbraw/zinc/03/87/73/1218038773.db2.gz DZUAQBBYJLIYTK-UOAXPGHYSA-N 1 0 343.427 2.177 20 5 EEBDRO COC(=O)Cc1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000827859353 1248836918 /nfs/dbraw/zinc/83/69/18/1248836918.db2.gz KRBZOMRQFRNZFA-UHFFFAOYSA-N 1 0 347.415 2.375 20 5 EEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cncs1 ZINC001020010592 1229439668 /nfs/dbraw/zinc/43/96/68/1229439668.db2.gz VIVALTUQEVKANM-MGCOHNPYSA-N 1 0 338.414 2.163 20 5 EEBDRO CCN(CCCNC(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001095954803 1232557047 /nfs/dbraw/zinc/55/70/47/1232557047.db2.gz JKQOZQHFOBTBAG-UHFFFAOYSA-N 1 0 336.436 2.269 20 5 EEBDRO O=C(Cc1c[nH]cn1)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096081006 1234558063 /nfs/dbraw/zinc/55/80/63/1234558063.db2.gz MWEYIUFOZNKCTR-UHFFFAOYSA-N 1 0 343.387 2.036 20 5 EEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900912961 1234994677 /nfs/dbraw/zinc/99/46/77/1234994677.db2.gz PYRXNGABRUYZOM-SECBINFHSA-N 1 0 329.759 2.459 20 5 EEBDRO CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525111 1237860626 /nfs/dbraw/zinc/86/06/26/1237860626.db2.gz LLZFQARUZCNJTH-ZHCJQAHYSA-N 1 0 337.464 2.447 20 5 EEBDRO Cc1cc(C)cc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001000669788 1240698176 /nfs/dbraw/zinc/69/81/76/1240698176.db2.gz MDMNTXUNDXEBBO-QZTJIDSGSA-N 1 0 343.427 2.217 20 5 EEBDRO CCc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001001400051 1242197490 /nfs/dbraw/zinc/19/74/90/1242197490.db2.gz PVQKQAUFYJBVOO-QZTJIDSGSA-N 1 0 345.443 2.242 20 5 EEBDRO Cc1ccc(NCCN(C)C(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001101811160 1246206982 /nfs/dbraw/zinc/20/69/82/1246206982.db2.gz NNFUKTZUIHDCKB-UHFFFAOYSA-N 1 0 334.420 2.258 20 5 EEBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CCC[C@]23CC[NH2+]C3)[nH]1 ZINC001218096156 1297569941 /nfs/dbraw/zinc/56/99/41/1297569941.db2.gz STPKECWQZYTDKJ-XJKSGUPXSA-N 1 0 330.344 2.155 20 5 EEBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001226166882 1301282325 /nfs/dbraw/zinc/28/23/25/1301282325.db2.gz ZIYZKDOABJFZLI-OAHLLOKOSA-N 1 0 341.367 2.347 20 5 EEBDRO C[C@H](c1ccccn1)N1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228659062 1302364204 /nfs/dbraw/zinc/36/42/04/1302364204.db2.gz DFYHFKIUXZLXIZ-OLZOCXBDSA-N 1 0 329.360 2.384 20 5 EEBDRO Cc1nc(NC2(CNC(=O)C[N@@H+](C)C(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001111815419 1303933000 /nfs/dbraw/zinc/93/30/00/1303933000.db2.gz ICVAIKJNJKJREL-UHFFFAOYSA-N 1 0 349.435 2.089 20 5 EEBDRO CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)C1 ZINC001115530811 1305286298 /nfs/dbraw/zinc/28/62/98/1305286298.db2.gz SLIOEYPFYRIMLS-HUUCEWRRSA-N 1 0 337.464 2.497 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)[NH2+]C[C@@H]2C)c1F ZINC001246874595 1310456978 /nfs/dbraw/zinc/45/69/78/1310456978.db2.gz UCQDZMDEKOIGAM-TUAOUCFPSA-N 1 0 325.384 2.356 20 5 EEBDRO CC[C@H]([NH3+])CN(C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001246973476 1310484465 /nfs/dbraw/zinc/48/44/65/1310484465.db2.gz JMVVJHXHKBIMSK-ZDUSSCGKSA-N 1 0 336.436 2.241 20 5 EEBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCc3cccc([N+](=O)[O-])c3)C[N@@H+]2C1 ZINC001123677501 1310673118 /nfs/dbraw/zinc/67/31/18/1310673118.db2.gz KJLHQOZLSCLRLB-BMFZPTHFSA-N 1 0 331.416 2.374 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829570892 1314502564 /nfs/dbraw/zinc/50/25/64/1314502564.db2.gz UPJCECQOWQDVCU-ORQFMDKSSA-N 1 0 329.400 2.393 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000829572253 1314503193 /nfs/dbraw/zinc/50/31/93/1314503193.db2.gz IJHOFXJUUREAPT-ZDUSSCGKSA-N 1 0 332.404 2.398 20 5 EEBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000839986980 1315269435 /nfs/dbraw/zinc/26/94/35/1315269435.db2.gz CSURSXMQRQUNQE-DOTOQJQBSA-N 1 0 331.372 2.364 20 5 EEBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840151354 1315310288 /nfs/dbraw/zinc/31/02/88/1315310288.db2.gz GAEBPQAHGGXPNL-INIZCTEOSA-N 1 0 344.419 2.225 20 5 EEBDRO C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841857403 1315625145 /nfs/dbraw/zinc/62/51/45/1315625145.db2.gz YANBVXPJVRXLKR-GXSJLCMTSA-N 1 0 326.784 2.188 20 5 EEBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475955 1315712997 /nfs/dbraw/zinc/71/29/97/1315712997.db2.gz ZAAAGLAPAPQVNT-LBPRGKRZSA-N 1 0 328.800 2.150 20 5 EEBDRO C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000842478456 1315713286 /nfs/dbraw/zinc/71/32/86/1315713286.db2.gz JCVLPNCOLQDMDX-GHMZBOCLSA-N 1 0 340.811 2.103 20 5 EEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000842617699 1315733911 /nfs/dbraw/zinc/73/39/11/1315733911.db2.gz RAFPTCJWNZXYQW-CZUORRHYSA-N 1 0 345.403 2.496 20 5 EEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843481862 1315921492 /nfs/dbraw/zinc/92/14/92/1315921492.db2.gz UAKULRKDJLBBCZ-OLZOCXBDSA-N 1 0 332.404 2.029 20 5 EEBDRO Cc1ccccc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150541508 1316293622 /nfs/dbraw/zinc/29/36/22/1316293622.db2.gz DBRKUEIRKJLXNO-UHFFFAOYSA-N 1 0 333.413 2.413 20 5 EEBDRO CC(C)COCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154963736 1317403096 /nfs/dbraw/zinc/40/30/96/1317403096.db2.gz AWQMVEKXYALNBR-UHFFFAOYSA-N 1 0 337.420 2.253 20 5 EEBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001155032031 1317426468 /nfs/dbraw/zinc/42/64/68/1317426468.db2.gz WDKOWVJMVRQRMH-NWDGAFQWSA-N 1 0 336.392 2.214 20 5 EEBDRO [NH3+]Cc1ccnn1-c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001155130591 1317468986 /nfs/dbraw/zinc/46/89/86/1317468986.db2.gz ZHXRIXSSIHAYKL-UHFFFAOYSA-N 1 0 330.735 2.350 20 5 EEBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155231754 1317514104 /nfs/dbraw/zinc/51/41/04/1317514104.db2.gz RIWOHABRRSFCOT-ZDUSSCGKSA-N 1 0 349.391 2.014 20 5 EEBDRO [NH3+]CC1CN([C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001155375993 1317571071 /nfs/dbraw/zinc/57/10/71/1317571071.db2.gz KFQBHIUZXSAHIG-MRXNPFEDSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155561775 1317651983 /nfs/dbraw/zinc/65/19/83/1317651983.db2.gz PGGVGMVWSPRCQR-VIFPVBQESA-N 1 0 326.765 2.200 20 5 EEBDRO O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc2[nH]ccc21 ZINC001155826983 1317752132 /nfs/dbraw/zinc/75/21/32/1317752132.db2.gz XUYVCTBCCIHAOB-XJKSGUPXSA-N 1 0 331.376 2.184 20 5 EEBDRO Cc1cc(C[NH3+])nn1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001156042724 1317848671 /nfs/dbraw/zinc/84/86/71/1317848671.db2.gz OPYMDIOOLJXRDH-UHFFFAOYSA-N 1 0 336.661 2.010 20 5 EEBDRO CCOC(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254573324 1318125573 /nfs/dbraw/zinc/12/55/73/1318125573.db2.gz XWGREGILLKKMLN-HNNXBMFYSA-N 1 0 333.388 2.273 20 5 EEBDRO COC(=O)c1cncc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254586318 1318134935 /nfs/dbraw/zinc/13/49/35/1318134935.db2.gz QCWZQTNMVCDSDA-HNNXBMFYSA-N 1 0 327.340 2.033 20 5 EEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001254888236 1318218985 /nfs/dbraw/zinc/21/89/85/1318218985.db2.gz BFEUMFVZKJCDAG-CHWSQXEVSA-N 1 0 327.331 2.476 20 5 EEBDRO Cc1nc(Cl)nc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001157215710 1318493694 /nfs/dbraw/zinc/49/36/94/1318493694.db2.gz ZVTJVIWFKWUXSB-UHFFFAOYSA-N 1 0 347.762 2.497 20 5 EEBDRO COc1cc(N2CCC([NH2+]Cc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC001256083274 1318642204 /nfs/dbraw/zinc/64/22/04/1318642204.db2.gz ODFBFOGCLPIHDR-UHFFFAOYSA-N 1 0 345.403 2.096 20 5 EEBDRO Cc1ccc(-c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)nn2)cc1[N+](=O)[O-] ZINC001157450175 1318647590 /nfs/dbraw/zinc/64/75/90/1318647590.db2.gz JMYDQVNXYGDLOA-OCCSQVGLSA-N 1 0 331.351 2.472 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001257269081 1318973746 /nfs/dbraw/zinc/97/37/46/1318973746.db2.gz POKGTDIUSWUSHN-UHFFFAOYSA-N 1 0 346.181 2.048 20 5 EEBDRO CSc1nc(Cl)nc(N(C(C)C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158024792 1318974309 /nfs/dbraw/zinc/97/43/09/1318974309.db2.gz BXFAFTGMPDKXGF-QMMMGPOBSA-N 1 0 331.829 2.337 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1Cc1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001257902871 1319102329 /nfs/dbraw/zinc/10/23/29/1319102329.db2.gz VTFKOGHMYYACFX-LBPRGKRZSA-N 1 0 348.407 2.366 20 5 EEBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159678090 1319945851 /nfs/dbraw/zinc/94/58/51/1319945851.db2.gz OAYUSQVODBWNTI-CHWSQXEVSA-N 1 0 328.803 2.429 20 5 EEBDRO [NH3+]Cc1ccc2cn(-c3nc(Cl)nc(Cl)c3[N+](=O)[O-])nc2c1 ZINC001160140821 1320082097 /nfs/dbraw/zinc/08/20/97/1320082097.db2.gz PZMOQVHDLIDHNW-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO Cc1noc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001160633208 1320217507 /nfs/dbraw/zinc/21/75/07/1320217507.db2.gz IVBVANYGBJWNTJ-UHFFFAOYSA-N 1 0 332.360 2.109 20 5 EEBDRO COC1CCC(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001160643694 1320219690 /nfs/dbraw/zinc/21/96/90/1320219690.db2.gz PGMZKDQMXUEHLA-UHFFFAOYSA-N 1 0 335.408 2.079 20 5 EEBDRO COc1nc(NCC2CC[NH+](CC3CCC3)CC2)ncc1[N+](=O)[O-] ZINC001161228948 1320426495 /nfs/dbraw/zinc/42/64/95/1320426495.db2.gz GCDHGPGBBFVQJQ-UHFFFAOYSA-N 1 0 335.408 2.317 20 5 EEBDRO O=[N+]([O-])c1cnc2cccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)n21 ZINC001162967528 1320999691 /nfs/dbraw/zinc/99/96/91/1320999691.db2.gz QRFZNIMFQIIZJX-ZDUSSCGKSA-N 1 0 345.403 2.203 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(Nc2ccc([C@H](C[NH3+])CO)cc2)n1 ZINC001163051189 1321023967 /nfs/dbraw/zinc/02/39/67/1321023967.db2.gz UMPWJYBCFSDBQQ-SNVBAGLBSA-N 1 0 337.767 2.125 20 5 EEBDRO COc1cnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1[N+](=O)[O-] ZINC001163056038 1321025087 /nfs/dbraw/zinc/02/50/87/1321025087.db2.gz MSHGFYKDERVLEC-LBPRGKRZSA-N 1 0 331.376 2.022 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163237977 1321074875 /nfs/dbraw/zinc/07/48/75/1321074875.db2.gz KLBUYVXTVIPMQN-LLVKDONJSA-N 1 0 334.357 2.094 20 5 EEBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CO[C@]3(C1)CCC[NH2+]C3)CCCC2 ZINC001163275874 1321085356 /nfs/dbraw/zinc/08/53/56/1321085356.db2.gz BCGPQSHPBMTOKQ-ACJLOTCBSA-N 1 0 346.431 2.439 20 5 EEBDRO CC(=O)Nc1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163282860 1321087360 /nfs/dbraw/zinc/08/73/60/1321087360.db2.gz BCPQOASHEMKZGB-GUYCJALGSA-N 1 0 348.403 2.124 20 5 EEBDRO CSCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163312782 1321094668 /nfs/dbraw/zinc/09/46/68/1321094668.db2.gz UKMSOXONUWXUBS-UHFFFAOYSA-N 1 0 337.445 2.334 20 5 EEBDRO COc1ncc([N+](=O)[O-])cc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163910006 1321245987 /nfs/dbraw/zinc/24/59/87/1321245987.db2.gz SICBQHMTQCSCOU-UHFFFAOYSA-N 1 0 343.387 2.473 20 5 EEBDRO CSc1nc(Cl)nc(N2C[C@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164072601 1321285549 /nfs/dbraw/zinc/28/55/49/1321285549.db2.gz AJVZWZHFDOFVOI-HTQZYQBOSA-N 1 0 331.829 2.324 20 5 EEBDRO Nc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165082028 1321451862 /nfs/dbraw/zinc/45/18/62/1321451862.db2.gz CHYSOKTZJUJWRX-ZBFHGGJFSA-N 1 0 339.399 2.283 20 5 EEBDRO [NH3+]C1([C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2CF)CC1 ZINC001165428504 1321523970 /nfs/dbraw/zinc/52/39/70/1321523970.db2.gz DITLSEZIADSQOQ-CMPLNLGQSA-N 1 0 331.351 2.051 20 5 EEBDRO Cc1cc(CCC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001166415936 1321715688 /nfs/dbraw/zinc/71/56/88/1321715688.db2.gz QUGPVKBZSVZUDI-UHFFFAOYSA-N 1 0 346.387 2.120 20 5 EEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166900291 1321813119 /nfs/dbraw/zinc/81/31/19/1321813119.db2.gz MTIMYRQOQKHIMZ-OAHLLOKOSA-N 1 0 348.403 2.135 20 5 EEBDRO COC(=O)C1(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC001166948015 1321822801 /nfs/dbraw/zinc/82/28/01/1321822801.db2.gz YGFQFNDAIPXUFU-UHFFFAOYSA-N 1 0 347.293 2.321 20 5 EEBDRO COc1ccc(C[C@@H]2CC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001307526575 1331539912 /nfs/dbraw/zinc/53/99/12/1331539912.db2.gz VQRBOGGPCVHDGT-HNNXBMFYSA-N 1 0 330.388 2.425 20 5 EEBDRO CC(C)(C)[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001318005267 1332460653 /nfs/dbraw/zinc/46/06/53/1332460653.db2.gz HBXLQUNBFKXTLM-UHFFFAOYSA-N 1 0 335.404 2.306 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001318829944 1332605982 /nfs/dbraw/zinc/60/59/82/1332605982.db2.gz YHSMXIARHGJMIK-ZDUSSCGKSA-N 1 0 332.404 2.352 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001319946713 1332800724 /nfs/dbraw/zinc/80/07/24/1332800724.db2.gz FBRYQZXXQXEELJ-ZDUSSCGKSA-N 1 0 347.415 2.484 20 5 EEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001320024438 1332812145 /nfs/dbraw/zinc/81/21/45/1332812145.db2.gz SYNIJDIJKBMNBA-CABCVRRESA-N 1 0 332.404 2.493 20 5 EEBDRO C[NH2+][C@@H](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001325324273 1333863717 /nfs/dbraw/zinc/86/37/17/1333863717.db2.gz NWVLPYHHDXUCRI-JTQLQIEISA-N 1 0 328.800 2.088 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001331455446 1335016354 /nfs/dbraw/zinc/01/63/54/1335016354.db2.gz KCVRQLXODWWUTQ-UHFFFAOYSA-N 1 0 346.431 2.313 20 5 EEBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC001333667180 1336100813 /nfs/dbraw/zinc/10/08/13/1336100813.db2.gz FLKIYVDGIAKJDK-IAGOWNOFSA-N 1 0 329.400 2.253 20 5 EEBDRO CC[NH+]1CCN(C2CN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)CC1 ZINC001339841797 1337082844 /nfs/dbraw/zinc/08/28/44/1337082844.db2.gz ZNAYVGQHYYYFMC-UHFFFAOYSA-N 1 0 347.444 2.031 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001343576057 1337338367 /nfs/dbraw/zinc/33/83/67/1337338367.db2.gz JOGQILGKHRWGMJ-UHFFFAOYSA-N 1 0 334.420 2.488 20 5 EEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001576487622 1344022127 /nfs/dbraw/zinc/02/21/27/1344022127.db2.gz VJTCSDXIBPYCMP-LLVKDONJSA-N 1 0 329.303 2.067 20 5 EEBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576613674 1344039991 /nfs/dbraw/zinc/03/99/91/1344039991.db2.gz XTHWBZOAJQPOFT-WPRPVWTQSA-N 1 0 337.767 2.220 20 5 EEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]([NH3+])CCSC ZINC001578189080 1344249363 /nfs/dbraw/zinc/24/93/63/1344249363.db2.gz BTLQPSYZEFXVHF-JTQLQIEISA-N 1 0 327.406 2.403 20 5 EEBDRO COCc1ccccc1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579093911 1344338654 /nfs/dbraw/zinc/33/86/54/1344338654.db2.gz QHODHEAFINTXJC-GOSISDBHSA-N 1 0 343.383 2.232 20 5 EEBDRO CC(C)[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001589457381 1348991724 /nfs/dbraw/zinc/99/17/24/1348991724.db2.gz VDJVWWHNWOYICI-CQSZACIVSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC001590260621 1349234906 /nfs/dbraw/zinc/23/49/06/1349234906.db2.gz QLFBESVWZYTUIT-NEPJUHHUSA-N 1 0 345.407 2.450 20 5 EEBDRO CCN(CCC[NH+](CC)CC)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604284725 1350908674 /nfs/dbraw/zinc/90/86/74/1350908674.db2.gz GYIGKWQORHZKRI-UHFFFAOYSA-N 1 0 347.423 2.333 20 5 EEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000862793477 1369548402 /nfs/dbraw/zinc/54/84/02/1369548402.db2.gz PVKKZBDQQFTRPR-SNVBAGLBSA-N 1 0 349.416 2.061 20 5 EEBDRO CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886854540 1369685663 /nfs/dbraw/zinc/68/56/63/1369685663.db2.gz SDHJPIHLIYHSIR-LLVKDONJSA-N 1 0 345.346 2.389 20 5 EEBDRO CC(C)SCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001752842965 1406477064 /nfs/dbraw/zinc/47/70/64/1406477064.db2.gz FNKBCFCQZCBQOJ-QLPKVWCKSA-N 1 0 349.456 2.283 20 5 EEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001580250454 1403854628 /nfs/dbraw/zinc/85/46/28/1403854628.db2.gz NDZBSRRGUDFCKA-PIGZYNQJSA-N 1 0 328.372 2.420 20 5 EEBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001100706823 1410699281 /nfs/dbraw/zinc/69/92/81/1410699281.db2.gz AHJGPDGEDRHFPZ-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000840216152 782415586 /nfs/dbraw/zinc/41/55/86/782415586.db2.gz RFZXHBBODGZLGU-LLVKDONJSA-N 1 0 325.340 2.347 20 5 EEBDRO C[NH+]1CCC(ONC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000846651195 790311454 /nfs/dbraw/zinc/31/14/54/790311454.db2.gz LFTCXYASNJLJOD-UHFFFAOYSA-N 1 0 347.293 2.369 20 5 EEBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+]1CCCCC1 ZINC001105411438 782994674 /nfs/dbraw/zinc/99/46/74/782994674.db2.gz JLHONFFBECVSIQ-UHFFFAOYSA-N 1 0 348.447 2.365 20 5 EEBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091366586 790401994 /nfs/dbraw/zinc/40/19/94/790401994.db2.gz HVIZHSDXKGLEOK-OTVXOJSOSA-N 1 0 334.420 2.243 20 5 EEBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC000981137610 776583284 /nfs/dbraw/zinc/58/32/84/776583284.db2.gz ZUMDKQAKHXTELD-IAGOWNOFSA-N 1 0 331.416 2.003 20 5 EEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893874562 780264877 /nfs/dbraw/zinc/26/48/77/780264877.db2.gz YWRJLGSJGOIIKR-GFCCVEGCSA-N 1 0 341.795 2.228 20 5 EEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817497024 784819032 /nfs/dbraw/zinc/81/90/32/784819032.db2.gz XITUWNHYXFHGAA-NSHDSACASA-N 1 0 343.786 2.482 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCCCC3)C2)CC1 ZINC001035706993 784989606 /nfs/dbraw/zinc/98/96/06/784989606.db2.gz MCMQPQRVRUPCPK-HZPDHXFCSA-N 1 0 335.448 2.156 20 5 EEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818565203 785295589 /nfs/dbraw/zinc/29/55/89/785295589.db2.gz QVQBGTYUMVNAAM-BDAKNGLRSA-N 1 0 329.759 2.126 20 5 EEBDRO CSC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819107480 785406283 /nfs/dbraw/zinc/40/62/83/785406283.db2.gz IWGLAZYPAUNNOB-CQSZACIVSA-N 1 0 326.418 2.130 20 5 EEBDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819149727 785423759 /nfs/dbraw/zinc/42/37/59/785423759.db2.gz LHLLDAXQCSEOMI-LBPRGKRZSA-N 1 0 330.768 2.042 20 5 EEBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107203706 786393560 /nfs/dbraw/zinc/39/35/60/786393560.db2.gz ABOKYGFJSPXTSS-AATRIKPKSA-N 1 0 338.383 2.160 20 5 EEBDRO O=C(Cc1ccc(F)cc1F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127816166 787957714 /nfs/dbraw/zinc/95/77/14/787957714.db2.gz HKKLEOSSUGQGKZ-UHFFFAOYSA-N 1 0 349.337 2.322 20 5 EEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000823974134 788005384 /nfs/dbraw/zinc/00/53/84/788005384.db2.gz PRHKUJBCDKQQRR-RISCZKNCSA-N 1 0 333.392 2.125 20 5 EEBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823975003 788006667 /nfs/dbraw/zinc/00/66/67/788006667.db2.gz YIVGNMSEBQYZCP-UHFFFAOYSA-N 1 0 333.392 2.269 20 5 EEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825411284 788619172 /nfs/dbraw/zinc/61/91/72/788619172.db2.gz NPRUVUZJZZGUDV-KRWDZBQOSA-N 1 0 349.431 2.207 20 5 EEBDRO COc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913294851 788772130 /nfs/dbraw/zinc/77/21/30/788772130.db2.gz POAXMYHEUSGYKZ-IAGOWNOFSA-N 1 0 333.388 2.017 20 5 EEBDRO Cc1c(NC(=O)CCN2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000923440220 789565227 /nfs/dbraw/zinc/56/52/27/789565227.db2.gz GBJDLPSZYCFPDY-XBFCOCLRSA-N 1 0 334.420 2.303 20 5 EEBDRO CCc1ccnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001128009123 791504870 /nfs/dbraw/zinc/50/48/70/791504870.db2.gz IFSIXRJFBKLTPC-UHFFFAOYSA-N 1 0 334.401 2.133 20 5 EEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172484357 791698700 /nfs/dbraw/zinc/69/87/00/791698700.db2.gz FVNYNXOHJVUKKK-CQSZACIVSA-N 1 0 346.387 2.020 20 5 EEBDRO COC(=O)CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000174444837 792099773 /nfs/dbraw/zinc/09/97/73/792099773.db2.gz GIQLPTXSPSLAEI-UHFFFAOYSA-N 1 0 340.351 2.278 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171394488 794567597 /nfs/dbraw/zinc/56/75/97/794567597.db2.gz RMSVPHNLPIMVIO-LBPRGKRZSA-N 1 0 343.339 2.239 20 5 EEBDRO CC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001168458686 795146473 /nfs/dbraw/zinc/14/64/73/795146473.db2.gz VSRXXTAEROSZGV-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001094894136 796933409 /nfs/dbraw/zinc/93/34/09/796933409.db2.gz ZQOSVMULNXFCGM-UHFFFAOYSA-N 1 0 346.431 2.450 20 5 EEBDRO O=C(C[NH+]1CCCC1)NCCCCCCNc1ncccc1[N+](=O)[O-] ZINC001094959961 797114927 /nfs/dbraw/zinc/11/49/27/797114927.db2.gz OKAUDNPKAIMEQD-UHFFFAOYSA-N 1 0 349.435 2.174 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCO[C@]3(CCOC3)C1)CC2 ZINC001172903658 797131221 /nfs/dbraw/zinc/13/12/21/797131221.db2.gz IHTAFDWNKBJPGU-FUHWJXTLSA-N 1 0 332.400 2.334 20 5 EEBDRO O=C1CCCCN1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895796 797147372 /nfs/dbraw/zinc/14/73/72/797147372.db2.gz JBSSARFBCLQLAL-MRXNPFEDSA-N 1 0 331.416 2.444 20 5 EEBDRO O=C1NCC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)O1 ZINC001172920961 797151161 /nfs/dbraw/zinc/15/11/61/797151161.db2.gz MUKVBYNJXWEITD-HNNXBMFYSA-N 1 0 345.399 2.417 20 5 EEBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ncccn3)CC2)c(F)c1 ZINC001173006579 797194169 /nfs/dbraw/zinc/19/41/69/797194169.db2.gz WXXMUJKGLCTMEC-UHFFFAOYSA-N 1 0 349.341 2.422 20 5 EEBDRO CC(C)[C@@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007515 797194790 /nfs/dbraw/zinc/19/47/90/797194790.db2.gz SAMSCVCZFWRUJJ-OAHLLOKOSA-N 1 0 343.374 2.448 20 5 EEBDRO CCCC[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173179761 797278591 /nfs/dbraw/zinc/27/85/91/797278591.db2.gz NXMCONQJYJERTL-PWSUYJOCSA-N 1 0 341.383 2.307 20 5 EEBDRO CSc1nc(Cl)nc(N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165075907 797619310 /nfs/dbraw/zinc/61/93/10/797619310.db2.gz FLYDPYXKVKDMTM-MRVPVSSYSA-N 1 0 331.829 2.291 20 5 EEBDRO CCn1cccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176194465 798371418 /nfs/dbraw/zinc/37/14/18/798371418.db2.gz NOHPHFXFNKIWQP-UHFFFAOYSA-N 1 0 330.388 2.326 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177313862 798853037 /nfs/dbraw/zinc/85/30/37/798853037.db2.gz UKXHFNPIEGFGPK-LPRNFTRESA-N 1 0 343.855 2.403 20 5 EEBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110266082 801085900 /nfs/dbraw/zinc/08/59/00/801085900.db2.gz KQVLWTCALKTACD-UHFFFAOYSA-N 1 0 334.420 2.386 20 5 EEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001086023750 801962810 /nfs/dbraw/zinc/96/28/10/801962810.db2.gz OBUOWOFKZYNNQU-OKILXGFUSA-N 1 0 344.371 2.189 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC001086320100 802735785 /nfs/dbraw/zinc/73/57/85/802735785.db2.gz JHEHCZXDWIQKBP-JOCQHMNTSA-N 1 0 346.412 2.350 20 5 EEBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001086373513 802845625 /nfs/dbraw/zinc/84/56/25/802845625.db2.gz AKDMXSMYIWCURJ-NNUKFRKNSA-N 1 0 328.372 2.221 20 5 EEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984270 803547701 /nfs/dbraw/zinc/54/77/01/803547701.db2.gz LPCHEFHRFIHCKR-CRWXNKLISA-N 1 0 327.425 2.467 20 5 EEBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964741 803552157 /nfs/dbraw/zinc/55/21/57/803552157.db2.gz VMXSNNWKDUDMRC-MRLBHPIUSA-N 1 0 339.436 2.277 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ncccc3F)CCOCC2)C1 ZINC001169000358 803566038 /nfs/dbraw/zinc/56/60/38/803566038.db2.gz XRMXOSCARYWLDK-UONOGXRCSA-N 1 0 337.395 2.304 20 5 EEBDRO CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001209 803566707 /nfs/dbraw/zinc/56/67/07/803566707.db2.gz DOMQYUPALAODLG-RQJABVFESA-N 1 0 327.425 2.419 20 5 EEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169012548 803571242 /nfs/dbraw/zinc/57/12/42/803571242.db2.gz QXTLHCBYCMPMRD-LJISPDSOSA-N 1 0 339.436 2.373 20 5 EEBDRO O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990907 803574360 /nfs/dbraw/zinc/57/43/60/803574360.db2.gz FHRFLJKWTOMJFD-MAZHCROVSA-N 1 0 335.379 2.075 20 5 EEBDRO CC(=O)c1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169034254 803578949 /nfs/dbraw/zinc/57/89/49/803578949.db2.gz GKCDDYUYRGLBAL-YJBOKZPZSA-N 1 0 331.416 2.457 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001169018995 803587318 /nfs/dbraw/zinc/58/73/18/803587318.db2.gz FYGIIMCYXRMEMC-LEUOFYLZSA-N 1 0 330.432 2.176 20 5 EEBDRO O=C1N[C@H](c2ccccc2)C12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023306 803589309 /nfs/dbraw/zinc/58/93/09/803589309.db2.gz FHOIUHXYHIZQRD-BHYGNILZSA-N 1 0 343.427 2.385 20 5 EEBDRO Cn1cc([C@@H]2COC3(C2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)cn1 ZINC001169025842 803591194 /nfs/dbraw/zinc/59/11/94/803591194.db2.gz ZGJRBEIBZMLMQX-ZOBUZTSGSA-N 1 0 348.447 2.204 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867011227 804171496 /nfs/dbraw/zinc/17/14/96/804171496.db2.gz KRYAZBGAAPHMQV-UHFFFAOYSA-N 1 0 328.390 2.098 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157265583 807197868 /nfs/dbraw/zinc/19/78/68/807197868.db2.gz JPVQEFLKCPAQLX-YUMQZZPRSA-N 1 0 332.191 2.222 20 5 EEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000788472317 807541212 /nfs/dbraw/zinc/54/12/12/807541212.db2.gz BCXNSQNZLBPTJD-MRXNPFEDSA-N 1 0 346.387 2.142 20 5 EEBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000792574223 809846753 /nfs/dbraw/zinc/84/67/53/809846753.db2.gz ZOGVJKVPRPWVOS-UHFFFAOYSA-N 1 0 325.280 2.282 20 5 EEBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000793282234 810228738 /nfs/dbraw/zinc/22/87/38/810228738.db2.gz VMWBNAQLEFLMEM-UHFFFAOYSA-N 1 0 332.809 2.305 20 5 EEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000808062125 812431257 /nfs/dbraw/zinc/43/12/57/812431257.db2.gz WWSFTJDJZQCGCN-UHFFFAOYSA-N 1 0 334.420 2.235 20 5 EEBDRO CNC(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459938 290627648 /nfs/dbraw/zinc/62/76/48/290627648.db2.gz BAUHFIQBHBDRIU-HNNXBMFYSA-N 1 0 346.431 2.409 20 5 EEBDRO CCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000171804026 529464986 /nfs/dbraw/zinc/46/49/86/529464986.db2.gz IATSNYYQLBOSGD-UHFFFAOYSA-N 1 0 337.424 2.217 20 5 EEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175077503 231380679 /nfs/dbraw/zinc/38/06/79/231380679.db2.gz WYQSKXMWVQWBDO-OLZOCXBDSA-N 1 0 341.433 2.054 20 5 EEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178476799 232186187 /nfs/dbraw/zinc/18/61/87/232186187.db2.gz DCABYWQIFLPBJU-CYBMUJFWSA-N 1 0 339.823 2.402 20 5 EEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180933912 234035410 /nfs/dbraw/zinc/03/54/10/234035410.db2.gz WJYFWLBQMHVCKY-ZDUSSCGKSA-N 1 0 334.420 2.419 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@@]2(C)CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000180964982 234047192 /nfs/dbraw/zinc/04/71/92/234047192.db2.gz LIEWDQCXYKCRCU-QGZVFWFLSA-N 1 0 334.420 2.354 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181900675 234372919 /nfs/dbraw/zinc/37/29/19/234372919.db2.gz VRDIQTFFJSPYLQ-JTQLQIEISA-N 1 0 343.330 2.220 20 5 EEBDRO Cc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000072290137 216124462 /nfs/dbraw/zinc/12/44/62/216124462.db2.gz QECOYNCJRLCIKU-UHFFFAOYSA-N 1 0 347.415 2.088 20 5 EEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129389394 223051584 /nfs/dbraw/zinc/05/15/84/223051584.db2.gz MZFMEPAZXHNRFU-NWDGAFQWSA-N 1 0 339.367 2.298 20 5 EEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422736900 240200839 /nfs/dbraw/zinc/20/08/39/240200839.db2.gz YRMADTPQKOBMRO-XHDPSFHLSA-N 1 0 349.387 2.113 20 5 EEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236796737 242359611 /nfs/dbraw/zinc/35/96/11/242359611.db2.gz KZVHBHLPVKNAKP-INIZCTEOSA-N 1 0 335.404 2.100 20 5 EEBDRO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449568437 242566040 /nfs/dbraw/zinc/56/60/40/242566040.db2.gz ZHJMJNBFUBGDBW-NXEZZACHSA-N 1 0 329.784 2.259 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451695726 243211738 /nfs/dbraw/zinc/21/17/38/243211738.db2.gz NYZVCPLKOMFQDF-FMKPAKJESA-N 1 0 347.415 2.325 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452132712 243351165 /nfs/dbraw/zinc/35/11/65/243351165.db2.gz QXVBHFKCYULCOK-CQSZACIVSA-N 1 0 335.404 2.326 20 5 EEBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000459760339 245240920 /nfs/dbraw/zinc/24/09/20/245240920.db2.gz MHPZZEYFQRIMEY-CVEARBPZSA-N 1 0 345.399 2.031 20 5 EEBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459783506 245246957 /nfs/dbraw/zinc/24/69/57/245246957.db2.gz ZWPYZHVBGPOAMV-LSDHHAIUSA-N 1 0 333.388 2.471 20 5 EEBDRO CC[N@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895833 217262123 /nfs/dbraw/zinc/26/21/23/217262123.db2.gz ZERKPHJPESNIMJ-UHFFFAOYSA-N 1 0 330.182 2.039 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000081364145 217388445 /nfs/dbraw/zinc/38/84/45/217388445.db2.gz MRNWQQWCGRSNTK-NSHDSACASA-N 1 0 338.383 2.120 20 5 EEBDRO CC[NH+](CC)CCN(CCOC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264215244 246195713 /nfs/dbraw/zinc/19/57/13/246195713.db2.gz UTRLHFRORVFHGI-DHZHZOJOSA-N 1 0 349.431 2.425 20 5 EEBDRO Cc1nn(C)c(NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000265141493 247241009 /nfs/dbraw/zinc/24/10/09/247241009.db2.gz QHPBPXFFVRIXOT-UHFFFAOYSA-N 1 0 333.392 2.189 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000265150994 247251357 /nfs/dbraw/zinc/25/13/57/247251357.db2.gz STFMGVXFKOZBBP-GDBMZVCRSA-N 1 0 349.387 2.185 20 5 EEBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266519634 248342371 /nfs/dbraw/zinc/34/23/71/248342371.db2.gz COCJKZXDCSQYFY-IAGOWNOFSA-N 1 0 330.388 2.298 20 5 EEBDRO COc1ccc(OCCN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000266534426 248349403 /nfs/dbraw/zinc/34/94/03/248349403.db2.gz NNUNSUZUBWISCZ-UHFFFAOYSA-N 1 0 335.404 2.152 20 5 EEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266563992 248361643 /nfs/dbraw/zinc/36/16/43/248361643.db2.gz PDECUORKVAOOGF-CQSZACIVSA-N 1 0 334.420 2.168 20 5 EEBDRO CCN(CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000128321930 284914017 /nfs/dbraw/zinc/91/40/17/284914017.db2.gz FKPJBBZHARUMLZ-ZDUSSCGKSA-N 1 0 343.449 2.225 20 5 EEBDRO COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000154275420 224230154 /nfs/dbraw/zinc/23/01/54/224230154.db2.gz YEGDYCPLEIOQHU-ROUUACIJSA-N 1 0 346.383 2.302 20 5 EEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000267106236 256027760 /nfs/dbraw/zinc/02/77/60/256027760.db2.gz XOMCQNLEJGNAIZ-UHFFFAOYSA-N 1 0 349.431 2.290 20 5 EEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000268141074 256118164 /nfs/dbraw/zinc/11/81/64/256118164.db2.gz DFDBIZPQNBUVSO-DYVFJYSZSA-N 1 0 346.431 2.386 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268157622 256119833 /nfs/dbraw/zinc/11/98/33/256119833.db2.gz HIJWLIHKYCEQRO-NOZJJQNGSA-N 1 0 348.359 2.024 20 5 EEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1c([N+](=O)[O-])ncn1C ZINC000271302543 256230845 /nfs/dbraw/zinc/23/08/45/256230845.db2.gz GYHBTVPCUOVROG-UHFFFAOYSA-N 1 0 344.419 2.466 20 5 EEBDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000271734915 256239017 /nfs/dbraw/zinc/23/90/17/256239017.db2.gz TZAZTNYDEFOIRD-WBVHZDCISA-N 1 0 332.404 2.448 20 5 EEBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273038940 256259492 /nfs/dbraw/zinc/25/94/92/256259492.db2.gz VXOOXRDRHQTGTJ-ZDUSSCGKSA-N 1 0 333.388 2.130 20 5 EEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273970142 256342466 /nfs/dbraw/zinc/34/24/66/256342466.db2.gz HIQFIFOHLREZCJ-IJLUTSLNSA-N 1 0 337.376 2.099 20 5 EEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000276064684 256399911 /nfs/dbraw/zinc/39/99/11/256399911.db2.gz RTUZWULCOAUDFX-UHFFFAOYSA-N 1 0 336.348 2.026 20 5 EEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000276521125 256440554 /nfs/dbraw/zinc/44/05/54/256440554.db2.gz XRHKMQGQGGQXHO-UHFFFAOYSA-N 1 0 349.387 2.272 20 5 EEBDRO C[N@H+](CCCO)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276630729 256452020 /nfs/dbraw/zinc/45/20/20/256452020.db2.gz OCDLSKXIUJKSNO-UHFFFAOYSA-N 1 0 344.415 2.426 20 5 EEBDRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000119709300 221382731 /nfs/dbraw/zinc/38/27/31/221382731.db2.gz ZMRNLOFRDWXMOX-LBPRGKRZSA-N 1 0 349.412 2.136 20 5 EEBDRO COc1cc(C)c([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000179618249 533608510 /nfs/dbraw/zinc/60/85/10/533608510.db2.gz GCQQFMAJUHZENH-GFCCVEGCSA-N 1 0 334.376 2.468 20 5 EEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356620022 141027462 /nfs/dbraw/zinc/02/74/62/141027462.db2.gz IHGSZTHHUFPMTN-KGLIPLIRSA-N 1 0 349.435 2.055 20 5 EEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000193321972 292087443 /nfs/dbraw/zinc/08/74/43/292087443.db2.gz PLTNJJJURKGUJW-CYBMUJFWSA-N 1 0 341.433 2.007 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000173620865 152182591 /nfs/dbraw/zinc/18/25/91/152182591.db2.gz YQRUEGOOZHAPQB-KRWDZBQOSA-N 1 0 346.431 2.163 20 5 EEBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000173673103 152187516 /nfs/dbraw/zinc/18/75/16/152187516.db2.gz VSMIKBWPKJZWLB-OAHLLOKOSA-N 1 0 348.447 2.269 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[N@@H+]1C1CC1 ZINC000123188400 292279308 /nfs/dbraw/zinc/27/93/08/292279308.db2.gz SUHQESXNELNIJD-SWLSCSKDSA-N 1 0 344.415 2.288 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000368482468 153812044 /nfs/dbraw/zinc/81/20/44/153812044.db2.gz NESHZGAGUSZDNP-NJZAAPMLSA-N 1 0 337.807 2.377 20 5 EEBDRO C[N@@H+]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000374306333 154043545 /nfs/dbraw/zinc/04/35/45/154043545.db2.gz DFTRNPGUTZMACY-ROUUACIJSA-N 1 0 339.395 2.351 20 5 EEBDRO CNC(=O)c1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262186857 160444062 /nfs/dbraw/zinc/44/40/62/160444062.db2.gz JICHLGHFXHKLIA-INIZCTEOSA-N 1 0 340.383 2.253 20 5 EEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000075635400 159075751 /nfs/dbraw/zinc/07/57/51/159075751.db2.gz INYOIOSKUFLJIF-CQSZACIVSA-N 1 0 334.420 2.256 20 5 EEBDRO CC1(C)CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178001446 159889404 /nfs/dbraw/zinc/88/94/04/159889404.db2.gz HVRLHEFNXMOSTE-CQSZACIVSA-N 1 0 341.433 2.041 20 5 EEBDRO Cc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000186511597 160073302 /nfs/dbraw/zinc/07/33/02/160073302.db2.gz XQGPEJHZDFQIKT-UHFFFAOYSA-N 1 0 332.364 2.305 20 5 EEBDRO COC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000190164898 160155853 /nfs/dbraw/zinc/15/58/53/160155853.db2.gz QIKBDARGUDSHBV-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000247333457 160320326 /nfs/dbraw/zinc/32/03/26/160320326.db2.gz VMKWKYVBTJSBQX-LSDHHAIUSA-N 1 0 347.415 2.306 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]21 ZINC000342116710 161040769 /nfs/dbraw/zinc/04/07/69/161040769.db2.gz YPGHKTKJYGZTJJ-VHDGCEQUSA-N 1 0 343.387 2.204 20 5 EEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]21 ZINC000342116701 161040858 /nfs/dbraw/zinc/04/08/58/161040858.db2.gz YPGHKTKJYGZTJJ-AEGPPILISA-N 1 0 343.387 2.204 20 5 EEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCc2ccccc2C1 ZINC000342808085 161092432 /nfs/dbraw/zinc/09/24/32/161092432.db2.gz KKYMYEQSMSWWEY-CYBMUJFWSA-N 1 0 342.399 2.110 20 5 EEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-n2cnnn2)cc1 ZINC000344088200 161197428 /nfs/dbraw/zinc/19/74/28/161197428.db2.gz KIZFZTOMVZHTAL-CYBMUJFWSA-N 1 0 338.371 2.464 20 5 EEBDRO C[N@H+](CCc1ccccc1O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344164916 161203683 /nfs/dbraw/zinc/20/36/83/161203683.db2.gz PLBBXLKAQGQZIE-INIZCTEOSA-N 1 0 346.383 2.215 20 5 EEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344476369 161231566 /nfs/dbraw/zinc/23/15/66/161231566.db2.gz YDQINDOQGADMLC-OKILXGFUSA-N 1 0 334.420 2.338 20 5 EEBDRO CCOC(=O)c1ccnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000345191153 161280465 /nfs/dbraw/zinc/28/04/65/161280465.db2.gz PHJOIGHWNPCFGZ-RYUDHWBXSA-N 1 0 336.392 2.085 20 5 EEBDRO C[C@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345327107 161292170 /nfs/dbraw/zinc/29/21/70/161292170.db2.gz SUKJSKWEYCJFRY-XJKSGUPXSA-N 1 0 334.420 2.386 20 5 EEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000345894644 161340299 /nfs/dbraw/zinc/34/02/99/161340299.db2.gz WMGFFALWPJWYLQ-LSDHHAIUSA-N 1 0 342.399 2.293 20 5 EEBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000352051455 162047680 /nfs/dbraw/zinc/04/76/80/162047680.db2.gz BTMKNDRBPAXUMM-CYBMUJFWSA-N 1 0 330.388 2.300 20 5 EEBDRO COc1c(C(=O)N2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000356088430 163330160 /nfs/dbraw/zinc/33/01/60/163330160.db2.gz FAUNWGHTJWJEJH-UHFFFAOYSA-N 1 0 335.404 2.407 20 5 EEBDRO Cc1c(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359210886 164083817 /nfs/dbraw/zinc/08/38/17/164083817.db2.gz DVDSLTUHXRRQNW-RISCZKNCSA-N 1 0 332.404 2.328 20 5 EEBDRO Cc1ccnc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637911 164143003 /nfs/dbraw/zinc/14/30/03/164143003.db2.gz KODJZJABKMHGRI-KBPBESRZSA-N 1 0 348.382 2.056 20 5 EEBDRO Cc1ccnc(NC[C@@H]2C[C@@H](F)CN2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637912 164143163 /nfs/dbraw/zinc/14/31/63/164143163.db2.gz KODJZJABKMHGRI-KGLIPLIRSA-N 1 0 348.382 2.056 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)C1 ZINC000368304826 166086239 /nfs/dbraw/zinc/08/62/39/166086239.db2.gz QMQLJFBFBLOGJU-SFHVURJKSA-N 1 0 344.415 2.019 20 5 EEBDRO COCC[C@@]1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000364870584 165302603 /nfs/dbraw/zinc/30/26/03/165302603.db2.gz UZYWFHRIXNOJGT-DYVFJYSZSA-N 1 0 335.404 2.097 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000373205567 166846011 /nfs/dbraw/zinc/84/60/11/166846011.db2.gz UIIWRJSDYAVNFU-ROUUACIJSA-N 1 0 346.358 2.361 20 5 EEBDRO CCOc1ccc(NC(=O)CSCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000157880323 292574096 /nfs/dbraw/zinc/57/40/96/292574096.db2.gz DZWPYFSXCWGZKR-UHFFFAOYSA-N 1 0 327.406 2.227 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000275160651 269099556 /nfs/dbraw/zinc/09/95/56/269099556.db2.gz OLGZCZVCTMWECR-KCJUWKMLSA-N 1 0 342.193 2.085 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275181440 269101531 /nfs/dbraw/zinc/10/15/31/269101531.db2.gz WWZFCUBNIHXGKP-KCJUWKMLSA-N 1 0 331.294 2.341 20 5 EEBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279066567 269260527 /nfs/dbraw/zinc/26/05/27/269260527.db2.gz ACSLRYKSSBKKIH-UKRRQHHQSA-N 1 0 347.415 2.109 20 5 EEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279852403 269311354 /nfs/dbraw/zinc/31/13/54/269311354.db2.gz BCRZUMPREGRGGM-KRWDZBQOSA-N 1 0 335.404 2.469 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280100158 269327998 /nfs/dbraw/zinc/32/79/98/269327998.db2.gz OZYCOOGWQGZPIU-QGZVFWFLSA-N 1 0 335.404 2.469 20 5 EEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156594588 273964542 /nfs/dbraw/zinc/96/45/42/273964542.db2.gz FZOQJDWHDNBOID-NSHDSACASA-N 1 0 342.193 2.181 20 5 EEBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000237186403 274090106 /nfs/dbraw/zinc/09/01/06/274090106.db2.gz YXXXTWSIKQBJJL-AWEZNQCLSA-N 1 0 348.447 2.416 20 5 EEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000275775170 274265438 /nfs/dbraw/zinc/26/54/38/274265438.db2.gz HQGGFKINHZYEMZ-ZBFHGGJFSA-N 1 0 326.368 2.390 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000277411171 274290896 /nfs/dbraw/zinc/29/08/96/274290896.db2.gz HWXNEAOSYGPTDC-IUODEOHRSA-N 1 0 333.388 2.160 20 5 EEBDRO COc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278672522 274386717 /nfs/dbraw/zinc/38/67/17/274386717.db2.gz CSDVOHWEUFYYMI-CYBMUJFWSA-N 1 0 335.404 2.293 20 5 EEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285755301 274787052 /nfs/dbraw/zinc/78/70/52/274787052.db2.gz ZBFJFIDAYYDZGC-CPUCHLNUSA-N 1 0 346.431 2.480 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000289029665 275096225 /nfs/dbraw/zinc/09/62/25/275096225.db2.gz OSPGPMWPLZFMIE-KBPBESRZSA-N 1 0 335.404 2.325 20 5 EEBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000289171248 275102301 /nfs/dbraw/zinc/10/23/01/275102301.db2.gz FIGZCAOYWKNAQA-UHFFFAOYSA-N 1 0 326.416 2.049 20 5 EEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)C1CCCC1 ZINC000290201742 275188853 /nfs/dbraw/zinc/18/88/53/275188853.db2.gz PEDCXWCHKRWIMP-MLGOLLRUSA-N 1 0 335.404 2.453 20 5 EEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000290795175 275240742 /nfs/dbraw/zinc/24/07/42/275240742.db2.gz DFWWFVGQPKCMTL-NSHDSACASA-N 1 0 325.413 2.292 20 5 EEBDRO C[NH+](C)CCN(CC1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290883668 275248937 /nfs/dbraw/zinc/24/89/37/275248937.db2.gz CGCHDUGWVCTNCZ-UHFFFAOYSA-N 1 0 349.435 2.037 20 5 EEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292159916 275386056 /nfs/dbraw/zinc/38/60/56/275386056.db2.gz JCGVBBZQEMETPS-INIZCTEOSA-N 1 0 335.429 2.241 20 5 EEBDRO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000263519114 276087316 /nfs/dbraw/zinc/08/73/16/276087316.db2.gz QCOQFBWCFSYXRK-IUDNXUCKSA-N 1 0 349.431 2.443 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000236817029 276208939 /nfs/dbraw/zinc/20/89/39/276208939.db2.gz IPFNKHYAUIVOLH-UHFFFAOYSA-N 1 0 329.422 2.007 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847068 277084002 /nfs/dbraw/zinc/08/40/02/277084002.db2.gz VDSIWVPGORJGLG-GUYCJALGSA-N 1 0 347.415 2.377 20 5 EEBDRO C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449596759 278330834 /nfs/dbraw/zinc/33/08/34/278330834.db2.gz YEDZYZOLDVJNHJ-FRRDWIJNSA-N 1 0 334.420 2.297 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000342929380 280395235 /nfs/dbraw/zinc/39/52/35/280395235.db2.gz RMPATPBUQAIFRG-ZDUSSCGKSA-N 1 0 341.433 2.104 20 5 EEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236817142 282074821 /nfs/dbraw/zinc/07/48/21/282074821.db2.gz FXNMZVIEAJUMPV-UHFFFAOYSA-N 1 0 335.813 2.044 20 5 EEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175960719 289301258 /nfs/dbraw/zinc/30/12/58/289301258.db2.gz YDQGCGCDYLZHAL-GDBMZVCRSA-N 1 0 334.420 2.309 20 5 EEBDRO COc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294344126 293430084 /nfs/dbraw/zinc/43/00/84/293430084.db2.gz ITLSKWSRKFKZHY-UHFFFAOYSA-N 1 0 339.367 2.156 20 5 EEBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC([NH3+])C1 ZINC000294771066 293539930 /nfs/dbraw/zinc/53/99/30/293539930.db2.gz FYHLKMZLSSKWCR-UHFFFAOYSA-N 1 0 332.385 2.280 20 5 EEBDRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000296067023 293884293 /nfs/dbraw/zinc/88/42/93/293884293.db2.gz WJEOAWZVLFWVPF-ZDUSSCGKSA-N 1 0 344.419 2.311 20 5 EEBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000297309098 294208768 /nfs/dbraw/zinc/20/87/68/294208768.db2.gz IGCSVEMUOCBWRC-AWEZNQCLSA-N 1 0 346.431 2.263 20 5 EEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000297752522 294331592 /nfs/dbraw/zinc/33/15/92/294331592.db2.gz LJXVGCUCDFJZTP-UHFFFAOYSA-N 1 0 337.767 2.259 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000408435061 297079460 /nfs/dbraw/zinc/07/94/60/297079460.db2.gz LAIFGAUPTFFFAM-ZIAGYGMSSA-N 1 0 346.431 2.360 20 5 EEBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298949858 294624271 /nfs/dbraw/zinc/62/42/71/294624271.db2.gz FJADDSHXRHSTRN-UHFFFAOYSA-N 1 0 346.431 2.411 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1SC ZINC000186790799 295026546 /nfs/dbraw/zinc/02/65/46/295026546.db2.gz LAHKVGCDZOJFSF-KOLCDFICSA-N 1 0 339.417 2.053 20 5 EEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238047398 295256899 /nfs/dbraw/zinc/25/68/99/295256899.db2.gz YUFNMNIWFCJMRJ-UONOGXRCSA-N 1 0 332.404 2.052 20 5 EEBDRO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+](C2CC2)C1 ZINC000450547244 300305019 /nfs/dbraw/zinc/30/50/19/300305019.db2.gz MTAWUZLMCLIARX-GFCCVEGCSA-N 1 0 327.388 2.459 20 5 EEBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000158150054 311325148 /nfs/dbraw/zinc/32/51/48/311325148.db2.gz PIAQPPKYTOIEMK-NSHDSACASA-N 1 0 339.392 2.023 20 5 EEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160504985 311355089 /nfs/dbraw/zinc/35/50/89/311355089.db2.gz NOJCCJGMZHHPLB-UHFFFAOYSA-N 1 0 345.403 2.100 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332381763 311998781 /nfs/dbraw/zinc/99/87/81/311998781.db2.gz HGKMCGJISDSAFY-IAGOWNOFSA-N 1 0 347.415 2.262 20 5 EEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357077777 312399428 /nfs/dbraw/zinc/39/94/28/312399428.db2.gz LAZKJXMFOSHXOL-ZFWWWQNUSA-N 1 0 346.431 2.243 20 5 EEBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414772608 313083502 /nfs/dbraw/zinc/08/35/02/313083502.db2.gz CGCNGKKXBBBREZ-CYBMUJFWSA-N 1 0 339.823 2.436 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415572476 313146671 /nfs/dbraw/zinc/14/66/71/313146671.db2.gz BHBZAMFZRIAICC-WCQYABFASA-N 1 0 336.392 2.446 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418733153 313891749 /nfs/dbraw/zinc/89/17/49/313891749.db2.gz UZEIQKQYXMOSBV-TZMCWYRMSA-N 1 0 348.403 2.016 20 5 EEBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000419801851 313931163 /nfs/dbraw/zinc/93/11/63/313931163.db2.gz CFHWRNLQXBAXCT-CZUORRHYSA-N 1 0 345.399 2.194 20 5 EEBDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000421028353 314031079 /nfs/dbraw/zinc/03/10/79/314031079.db2.gz UGWVCLHJCRJQJQ-STQMWFEESA-N 1 0 338.408 2.091 20 5 EEBDRO C[NH+](C)C1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000421684241 314141416 /nfs/dbraw/zinc/14/14/16/314141416.db2.gz JDJUZSQQWRKBHT-UHFFFAOYSA-N 1 0 335.404 2.353 20 5 EEBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000435384439 314898907 /nfs/dbraw/zinc/89/89/07/314898907.db2.gz MKUANSAPYOEZLJ-BETUJISGSA-N 1 0 329.404 2.178 20 5 EEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1Cc2ccccc2C1 ZINC000562996296 318955127 /nfs/dbraw/zinc/95/51/27/318955127.db2.gz OWTBKBZQONMGKX-KRWDZBQOSA-N 1 0 342.395 2.339 20 5 EEBDRO Cc1c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000575058556 320083619 /nfs/dbraw/zinc/08/36/19/320083619.db2.gz HZKKPJRKRWHBJG-WMLDXEAASA-N 1 0 347.415 2.262 20 5 EEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000576460234 320173810 /nfs/dbraw/zinc/17/38/10/320173810.db2.gz SGVFWEIHEZIBMP-HNNXBMFYSA-N 1 0 334.347 2.306 20 5 EEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000181826001 323357619 /nfs/dbraw/zinc/35/76/19/323357619.db2.gz ADSREHHIMAKTBX-GFCCVEGCSA-N 1 0 336.392 2.036 20 5 EEBDRO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182034779 323362796 /nfs/dbraw/zinc/36/27/96/323362796.db2.gz HQTNIOKAUASWRK-STQMWFEESA-N 1 0 326.418 2.162 20 5 EEBDRO CC[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000580764315 324124454 /nfs/dbraw/zinc/12/44/54/324124454.db2.gz VMMUJUOUCVKXGT-UHFFFAOYSA-N 1 0 348.325 2.412 20 5 EEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C[NH3+])cc1SC ZINC000581661657 324298091 /nfs/dbraw/zinc/29/80/91/324298091.db2.gz HKARAAURSHCTMZ-SNVBAGLBSA-N 1 0 339.417 2.279 20 5 EEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354577943 465035085 /nfs/dbraw/zinc/03/50/85/465035085.db2.gz PTRRRFAHDUWZDW-JSGCOSHPSA-N 1 0 341.433 2.088 20 5 EEBDRO CC[C@@H](C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000296005091 465048621 /nfs/dbraw/zinc/04/86/21/465048621.db2.gz NCVIHNQKTJIKMB-LLVKDONJSA-N 1 0 331.376 2.164 20 5 EEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CC(F)(F)F ZINC000358373487 465084728 /nfs/dbraw/zinc/08/47/28/465084728.db2.gz XWDINKTYLYTMFX-GXSJLCMTSA-N 1 0 349.309 2.215 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCCC[C@@H]1O ZINC000351199101 465090874 /nfs/dbraw/zinc/09/08/74/465090874.db2.gz HHKIZVSZRKYQGG-HIFRSBDPSA-N 1 0 335.404 2.325 20 5 EEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000341328126 465113516 /nfs/dbraw/zinc/11/35/16/465113516.db2.gz JXUAYIJFRKZUMA-UHFFFAOYSA-N 1 0 335.404 2.214 20 5 EEBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000358680344 465260604 /nfs/dbraw/zinc/26/06/04/465260604.db2.gz JXAGITNHAGAUCG-CABCVRRESA-N 1 0 332.404 2.329 20 5 EEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337326125 465306246 /nfs/dbraw/zinc/30/62/46/465306246.db2.gz VWAZSGOJAXGXDI-KBPBESRZSA-N 1 0 334.420 2.338 20 5 EEBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000337435147 465368542 /nfs/dbraw/zinc/36/85/42/465368542.db2.gz WKQDSMIFSIFVRQ-CVEARBPZSA-N 1 0 336.367 2.278 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269971 462584479 /nfs/dbraw/zinc/58/44/79/462584479.db2.gz HTOJNPZYABJIHN-KBPBESRZSA-N 1 0 332.404 2.010 20 5 EEBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000113353500 462589168 /nfs/dbraw/zinc/58/91/68/462589168.db2.gz RTAZXDANJCVOTR-UHFFFAOYSA-N 1 0 344.371 2.425 20 5 EEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000063710392 462665280 /nfs/dbraw/zinc/66/52/80/462665280.db2.gz NGBNMRDTPAZFBM-CQSZACIVSA-N 1 0 335.404 2.210 20 5 EEBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000114748857 462677640 /nfs/dbraw/zinc/67/76/40/462677640.db2.gz FBFOAPCPRCHIDH-JOYOIKCWSA-N 1 0 331.294 2.409 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1 ZINC000089644485 462703324 /nfs/dbraw/zinc/70/33/24/462703324.db2.gz NJRAWSMATSMFEZ-CVEARBPZSA-N 1 0 328.372 2.037 20 5 EEBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000075654263 462747214 /nfs/dbraw/zinc/74/72/14/462747214.db2.gz NNMORNRHNHYANZ-UHFFFAOYSA-N 1 0 342.399 2.360 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000075750141 462756617 /nfs/dbraw/zinc/75/66/17/462756617.db2.gz VOJUZOJTYPXOHP-LSDHHAIUSA-N 1 0 334.376 2.363 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117796677 462812321 /nfs/dbraw/zinc/81/23/21/462812321.db2.gz KLUVLGWYIAUJRA-NSHDSACASA-N 1 0 325.796 2.249 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000552285047 468322176 /nfs/dbraw/zinc/32/21/76/468322176.db2.gz AKNIEYJQNKJHAR-LBPRGKRZSA-N 1 0 337.767 2.004 20 5 EEBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000015128911 462942016 /nfs/dbraw/zinc/94/20/16/462942016.db2.gz SHAGGCFYGNEPIL-HNNXBMFYSA-N 1 0 342.399 2.279 20 5 EEBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120203651 462973171 /nfs/dbraw/zinc/97/31/71/462973171.db2.gz XLOKLJFUNYDFMM-UHFFFAOYSA-N 1 0 338.408 2.301 20 5 EEBDRO CNC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078424848 463115632 /nfs/dbraw/zinc/11/56/32/463115632.db2.gz FERWBXQMGWOHBN-CQSZACIVSA-N 1 0 346.431 2.267 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000069617025 463287027 /nfs/dbraw/zinc/28/70/27/463287027.db2.gz WNQCVNWRHPHMDM-UHFFFAOYSA-N 1 0 346.431 2.363 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000097019009 463304310 /nfs/dbraw/zinc/30/43/10/463304310.db2.gz RSWWWKCLVRCCGE-CVEARBPZSA-N 1 0 348.403 2.094 20 5 EEBDRO C[C@H]1OCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000139132199 463318329 /nfs/dbraw/zinc/31/83/29/463318329.db2.gz FETOONMJVQPQHY-NWDGAFQWSA-N 1 0 335.360 2.002 20 5 EEBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000160323506 463328237 /nfs/dbraw/zinc/32/82/37/463328237.db2.gz HCOCSGIWYMHDRH-HZPDHXFCSA-N 1 0 341.415 2.420 20 5 EEBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000160368922 463332246 /nfs/dbraw/zinc/33/22/46/463332246.db2.gz KTUNWDCNJGCCOA-HNNXBMFYSA-N 1 0 346.431 2.394 20 5 EEBDRO [NH3+]C1(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000160920829 463382552 /nfs/dbraw/zinc/38/25/52/463382552.db2.gz CPQBVHHDVDFEBY-UHFFFAOYSA-N 1 0 333.388 2.236 20 5 EEBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000553210876 468355853 /nfs/dbraw/zinc/35/58/53/468355853.db2.gz TZNZZUPZUOGOED-UHFFFAOYSA-N 1 0 329.360 2.194 20 5 EEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000081363471 463425379 /nfs/dbraw/zinc/42/53/79/463425379.db2.gz DUGJIFBHXBUXFW-ZDUSSCGKSA-N 1 0 334.420 2.440 20 5 EEBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000151133347 463481765 /nfs/dbraw/zinc/48/17/65/463481765.db2.gz FPVYDASFGWSRKT-QBPKDAKJSA-N 1 0 345.399 2.247 20 5 EEBDRO CC(C)C[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000041800828 463510544 /nfs/dbraw/zinc/51/05/44/463510544.db2.gz DSIMBLPDOYCNBD-UHFFFAOYSA-N 1 0 330.388 2.490 20 5 EEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000083423849 463546286 /nfs/dbraw/zinc/54/62/86/463546286.db2.gz RRHWBQREMRLMAI-QGZVFWFLSA-N 1 0 348.378 2.171 20 5 EEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072860154 463555564 /nfs/dbraw/zinc/55/55/64/463555564.db2.gz QFAMFNACYIBEQA-AWEZNQCLSA-N 1 0 334.420 2.115 20 5 EEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151937115 463617228 /nfs/dbraw/zinc/61/72/28/463617228.db2.gz PHEIEXISGNQYQA-UHFFFAOYSA-N 1 0 345.403 2.193 20 5 EEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165963269 463650295 /nfs/dbraw/zinc/65/02/95/463650295.db2.gz DSHZKVACMRYASB-UHFFFAOYSA-N 1 0 344.209 2.414 20 5 EEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112364095 463700158 /nfs/dbraw/zinc/70/01/58/463700158.db2.gz GBJJKODOMIVUKH-UHFFFAOYSA-N 1 0 349.840 2.258 20 5 EEBDRO O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000170743563 463701679 /nfs/dbraw/zinc/70/16/79/463701679.db2.gz RUWZXVRWPHMOOF-CQSZACIVSA-N 1 0 332.404 2.094 20 5 EEBDRO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000184973575 463728184 /nfs/dbraw/zinc/72/81/84/463728184.db2.gz XFFYOWFMLJKQIT-YPMHNXCESA-N 1 0 337.401 2.450 20 5 EEBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000276915580 463806253 /nfs/dbraw/zinc/80/62/53/463806253.db2.gz PVTVWKVJXQVPMD-HZMBPMFUSA-N 1 0 333.388 2.124 20 5 EEBDRO CCOc1cc(C[N@@H+]2CC[C@H](COCCOC)C2)ccc1[N+](=O)[O-] ZINC000276950860 463817837 /nfs/dbraw/zinc/81/78/37/463817837.db2.gz UKHXWTHQKJPHQB-HNNXBMFYSA-N 1 0 338.404 2.478 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000276997952 463836035 /nfs/dbraw/zinc/83/60/35/463836035.db2.gz NXKPFGOFCIRZHR-TZMCWYRMSA-N 1 0 337.376 2.089 20 5 EEBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000261773825 463854694 /nfs/dbraw/zinc/85/46/94/463854694.db2.gz XDLBUXUTONAICS-XJKSGUPXSA-N 1 0 337.376 2.074 20 5 EEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000269202770 463908254 /nfs/dbraw/zinc/90/82/54/463908254.db2.gz KUOWZFVOYOKKIW-SWLSCSKDSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269242872 463924639 /nfs/dbraw/zinc/92/46/39/463924639.db2.gz YSAFYZLJIYYJDO-TZMCWYRMSA-N 1 0 332.404 2.004 20 5 EEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000269257252 463931501 /nfs/dbraw/zinc/93/15/01/463931501.db2.gz HZHYCWMOQSVKAX-ZIAGYGMSSA-N 1 0 346.431 2.394 20 5 EEBDRO C[C@H](CCC1CC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186408315 463993704 /nfs/dbraw/zinc/99/37/04/463993704.db2.gz MRWSALPACSWSOH-GFCCVEGCSA-N 1 0 341.433 2.041 20 5 EEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179000103 464033448 /nfs/dbraw/zinc/03/34/48/464033448.db2.gz VLGGBUNDVQTLLL-LLVKDONJSA-N 1 0 346.412 2.400 20 5 EEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000283932159 464046633 /nfs/dbraw/zinc/04/66/33/464046633.db2.gz JPRREEWMKIUCTP-MRVPVSSYSA-N 1 0 344.209 2.346 20 5 EEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186721528 464057327 /nfs/dbraw/zinc/05/73/27/464057327.db2.gz PADQDORAOJOSRA-PBHICJAKSA-N 1 0 335.404 2.086 20 5 EEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000279262597 464082671 /nfs/dbraw/zinc/08/26/71/464082671.db2.gz MKBMXIYQONJGBT-FVQBIDKESA-N 1 0 345.399 2.131 20 5 EEBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270043507 464169884 /nfs/dbraw/zinc/16/98/84/464169884.db2.gz DNUNCMLRGLSIJH-XEZPLFJOSA-N 1 0 335.404 2.323 20 5 EEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292270800 464180962 /nfs/dbraw/zinc/18/09/62/464180962.db2.gz SDROUOFKQPWSAV-CXAGYDPISA-N 1 0 343.383 2.221 20 5 EEBDRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179754672 464181873 /nfs/dbraw/zinc/18/18/73/464181873.db2.gz GPBBQARPDUQOAT-HOCLYGCPSA-N 1 0 348.403 2.292 20 5 EEBDRO O=C(CCc1c[nH]cn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280142745 464191187 /nfs/dbraw/zinc/19/11/87/464191187.db2.gz NIEPLRUHYSZLEV-UHFFFAOYSA-N 1 0 344.371 2.321 20 5 EEBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263823734 464205487 /nfs/dbraw/zinc/20/54/87/464205487.db2.gz YXCVDCWQLFRDLR-UHFFFAOYSA-N 1 0 338.364 2.416 20 5 EEBDRO CC(C)(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCCC1 ZINC000179954742 464213686 /nfs/dbraw/zinc/21/36/86/464213686.db2.gz IFNMZRAPCHGHCY-UHFFFAOYSA-N 1 0 349.387 2.318 20 5 EEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000280643537 464225924 /nfs/dbraw/zinc/22/59/24/464225924.db2.gz ZPJCUYIZAZTHCA-OLZOCXBDSA-N 1 0 333.388 2.302 20 5 EEBDRO CC[NH2+]CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000236992119 464248649 /nfs/dbraw/zinc/24/86/49/464248649.db2.gz UFLOTPNBTZPTIE-ZIAGYGMSSA-N 1 0 348.447 2.416 20 5 EEBDRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173618975 464294525 /nfs/dbraw/zinc/29/45/25/464294525.db2.gz OHBZEGYEIDEZBV-CYBMUJFWSA-N 1 0 334.420 2.384 20 5 EEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000264431949 464323049 /nfs/dbraw/zinc/32/30/49/464323049.db2.gz ARRXDMFFJJFESL-AWEZNQCLSA-N 1 0 349.431 2.343 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000237732235 464370034 /nfs/dbraw/zinc/37/00/34/464370034.db2.gz VHPPDSBLUYHALA-CQSZACIVSA-N 1 0 346.431 2.211 20 5 EEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237847326 464389098 /nfs/dbraw/zinc/38/90/98/464389098.db2.gz BWNFAWPTCBZQNP-JTQLQIEISA-N 1 0 342.193 2.311 20 5 EEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000294289948 464455904 /nfs/dbraw/zinc/45/59/04/464455904.db2.gz BKDBFRPEBURFFK-CHWSQXEVSA-N 1 0 337.351 2.099 20 5 EEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272356045 464577126 /nfs/dbraw/zinc/57/71/26/464577126.db2.gz RHPOSYSIGFOVEZ-VIFPVBQESA-N 1 0 331.319 2.266 20 5 EEBDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272460856 464619896 /nfs/dbraw/zinc/61/98/96/464619896.db2.gz OMHIDUWOJBJADV-XEZPLFJOSA-N 1 0 332.404 2.391 20 5 EEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000182444997 464656048 /nfs/dbraw/zinc/65/60/48/464656048.db2.gz DRXDLWFXIFABQO-NVXWUHKLSA-N 1 0 346.431 2.263 20 5 EEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000176511989 464791465 /nfs/dbraw/zinc/79/14/65/464791465.db2.gz MLQFICPDVDSOKE-HNNXBMFYSA-N 1 0 334.420 2.372 20 5 EEBDRO C[S@](=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183197878 464820674 /nfs/dbraw/zinc/82/06/74/464820674.db2.gz FJHRYDUTBNJCHY-KCYKTTMJSA-N 1 0 348.424 2.338 20 5 EEBDRO Cc1cc(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000191858482 464828645 /nfs/dbraw/zinc/82/86/45/464828645.db2.gz QCJGVTNBHGVXFU-UHFFFAOYSA-N 1 0 343.449 2.078 20 5 EEBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000183363117 464854684 /nfs/dbraw/zinc/85/46/84/464854684.db2.gz ZVDMLVVGCMQSBW-RYUDHWBXSA-N 1 0 349.435 2.263 20 5 EEBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286337074 464884656 /nfs/dbraw/zinc/88/46/56/464884656.db2.gz GHZXKXABSYBTCN-OAHLLOKOSA-N 1 0 346.387 2.343 20 5 EEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000286348174 464886664 /nfs/dbraw/zinc/88/66/64/464886664.db2.gz GVURVVJDSPFRIC-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286352064 464888276 /nfs/dbraw/zinc/88/82/76/464888276.db2.gz WNZLKVQWMVFHHE-PBWFPOADSA-N 1 0 333.388 2.057 20 5 EEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276344836 464898544 /nfs/dbraw/zinc/89/85/44/464898544.db2.gz SWUYIZABTRXKGQ-LBPRGKRZSA-N 1 0 341.433 2.142 20 5 EEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249820784 464918836 /nfs/dbraw/zinc/91/88/36/464918836.db2.gz GLVVZGMZCFPOIU-OCCSQVGLSA-N 1 0 335.429 2.382 20 5 EEBDRO O=C(CC[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000282758595 464935811 /nfs/dbraw/zinc/93/58/11/464935811.db2.gz TYIQHWLSKBTESI-CYBMUJFWSA-N 1 0 333.388 2.424 20 5 EEBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000554600359 468428813 /nfs/dbraw/zinc/42/88/13/468428813.db2.gz QMBYLGIMXLBPSV-CYBMUJFWSA-N 1 0 349.387 2.270 20 5 EEBDRO CC[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000286617020 464979827 /nfs/dbraw/zinc/97/98/27/464979827.db2.gz RWCZZMIAFVHPMD-LBPRGKRZSA-N 1 0 331.376 2.171 20 5 EEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177416000 465009240 /nfs/dbraw/zinc/00/92/40/465009240.db2.gz GGBKPKIWCYJGPC-UHFFFAOYSA-N 1 0 349.435 2.013 20 5 EEBDRO CC(C)c1n[nH]c(C(=O)NCc2cn3ccccc3n2)c1[N+](=O)[O-] ZINC000351722380 465317781 /nfs/dbraw/zinc/31/77/81/465317781.db2.gz SYKBURBXHOIJMX-UHFFFAOYSA-N 1 0 328.332 2.019 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000254991283 465021734 /nfs/dbraw/zinc/02/17/34/465021734.db2.gz GHOZQYHWDLAGPK-OICCZTGUSA-N 1 0 331.416 2.262 20 5 EEBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593910755 468430899 /nfs/dbraw/zinc/43/08/99/468430899.db2.gz BZJNLFYTTRBBLR-UXLLHSPISA-N 1 0 347.415 2.262 20 5 EEBDRO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000356731253 465511520 /nfs/dbraw/zinc/51/15/20/465511520.db2.gz IBWSZVZLYCUKII-UHFFFAOYSA-N 1 0 345.346 2.089 20 5 EEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299055059 465579644 /nfs/dbraw/zinc/57/96/44/465579644.db2.gz TUUMWNOEGRGHMF-NSHDSACASA-N 1 0 328.372 2.290 20 5 EEBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[N@@H+]1C ZINC000330584252 465718564 /nfs/dbraw/zinc/71/85/64/465718564.db2.gz KWWQPNKTXWXCAZ-NEPJUHHUSA-N 1 0 331.376 2.169 20 5 EEBDRO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000361161283 465808212 /nfs/dbraw/zinc/80/82/12/465808212.db2.gz HYHHQWJJUQQOOU-ZDUSSCGKSA-N 1 0 334.420 2.487 20 5 EEBDRO COc1c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000357164267 465825590 /nfs/dbraw/zinc/82/55/90/465825590.db2.gz DWPBJLRBAAWUJN-CQSZACIVSA-N 1 0 335.404 2.454 20 5 EEBDRO C[C@H](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000600092985 468456212 /nfs/dbraw/zinc/45/62/12/468456212.db2.gz ZYWYSRHXNDMFRH-SECBINFHSA-N 1 0 344.209 2.427 20 5 EEBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000340240609 465910812 /nfs/dbraw/zinc/91/08/12/465910812.db2.gz VKKKICXNOUMPKQ-OLZOCXBDSA-N 1 0 341.433 2.136 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCCC[C@@H]3CO)o2)cc1 ZINC000594014975 468460853 /nfs/dbraw/zinc/46/08/53/468460853.db2.gz QBVXSUAEMNSPMZ-CQSZACIVSA-N 1 0 332.360 2.382 20 5 EEBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346181862 465969174 /nfs/dbraw/zinc/96/91/74/465969174.db2.gz BWZGCKUQZFFGSZ-YRGRVCCFSA-N 1 0 349.435 2.073 20 5 EEBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000346224340 466006441 /nfs/dbraw/zinc/00/64/41/466006441.db2.gz NNHVEZXTPUGPGV-MRVPVSSYSA-N 1 0 330.182 2.037 20 5 EEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346254451 466031960 /nfs/dbraw/zinc/03/19/60/466031960.db2.gz BCMSXTKTJTXOCT-JJRVBVJISA-N 1 0 331.416 2.326 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000362986975 466161911 /nfs/dbraw/zinc/16/19/11/466161911.db2.gz PLPZRGOPBDYIQU-CQSZACIVSA-N 1 0 342.399 2.080 20 5 EEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000349796958 466244296 /nfs/dbraw/zinc/24/42/96/466244296.db2.gz DCMNGTWMYBAGNN-ZDUSSCGKSA-N 1 0 343.449 2.219 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331826730 466261562 /nfs/dbraw/zinc/26/15/62/466261562.db2.gz JAUBSPHSIDLVPF-KMFMINBZSA-N 1 0 346.431 2.482 20 5 EEBDRO CS[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH+](C)C ZINC000340742148 466304038 /nfs/dbraw/zinc/30/40/38/466304038.db2.gz KHNMKIRQIJZANY-STQMWFEESA-N 1 0 349.416 2.127 20 5 EEBDRO O=[N+]([O-])c1ccccc1/C=C\CN(CCC(F)(F)F)C[C@H](O)CO ZINC000354010606 466323805 /nfs/dbraw/zinc/32/38/05/466323805.db2.gz OWYRBFLVGJAPOZ-DXTPNHAXSA-N 1 0 348.321 2.216 20 5 EEBDRO CCC[N@H+](CC)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000349988402 466340455 /nfs/dbraw/zinc/34/04/55/466340455.db2.gz AYBVJJYCACGVKE-UHFFFAOYSA-N 1 0 332.404 2.398 20 5 EEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000305743580 466445515 /nfs/dbraw/zinc/44/55/15/466445515.db2.gz UBYNXHAQDGIZGO-ZWKOTPCHSA-N 1 0 328.368 2.052 20 5 EEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332234645 466461366 /nfs/dbraw/zinc/46/13/66/466461366.db2.gz RRDYCXTYIIDDCW-QWRGUYRKSA-N 1 0 344.371 2.013 20 5 EEBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332238598 466464008 /nfs/dbraw/zinc/46/40/08/466464008.db2.gz HWMFXEAWVHRPBT-KGLIPLIRSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000305839135 466479275 /nfs/dbraw/zinc/47/92/75/466479275.db2.gz GMRYSTZVRNINJZ-TZMCWYRMSA-N 1 0 349.387 2.128 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332277327 466485415 /nfs/dbraw/zinc/48/54/15/466485415.db2.gz QQITUKZJHMHIDK-CHWSQXEVSA-N 1 0 330.388 2.101 20 5 EEBDRO CC[NH+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000332346955 466518879 /nfs/dbraw/zinc/51/88/79/466518879.db2.gz YOPRSGCBZZMOHK-STQMWFEESA-N 1 0 335.404 2.376 20 5 EEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332356055 466525283 /nfs/dbraw/zinc/52/52/83/466525283.db2.gz ZMTMEKAXXAHROH-ZFWWWQNUSA-N 1 0 346.431 2.408 20 5 EEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000354446055 466573975 /nfs/dbraw/zinc/57/39/75/466573975.db2.gz MZNHXYIKOZCTFN-AWEZNQCLSA-N 1 0 335.404 2.354 20 5 EEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000347336203 466574925 /nfs/dbraw/zinc/57/49/25/466574925.db2.gz AMEOCOIMXMUTLE-JYRVWZFOSA-N 1 0 340.383 2.150 20 5 EEBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591686484 468503100 /nfs/dbraw/zinc/50/31/00/468503100.db2.gz KOTWMJDENBCQBW-ZDUSSCGKSA-N 1 0 339.342 2.331 20 5 EEBDRO CC[NH+]1CCC(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000324754741 466649106 /nfs/dbraw/zinc/64/91/06/466649106.db2.gz SJAGANQVWGAUKZ-UHFFFAOYSA-N 1 0 331.376 2.387 20 5 EEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415442525 466681208 /nfs/dbraw/zinc/68/12/08/466681208.db2.gz QCGFHIZITVZTLX-VIFPVBQESA-N 1 0 332.282 2.439 20 5 EEBDRO C[NH+](C)C1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000416307593 466729159 /nfs/dbraw/zinc/72/91/59/466729159.db2.gz LSLCFRFNNKDZTI-UHFFFAOYSA-N 1 0 331.294 2.438 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000370204308 466795943 /nfs/dbraw/zinc/79/59/43/466795943.db2.gz OVAREYPOXOILKT-UHFFFAOYSA-N 1 0 333.388 2.304 20 5 EEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423706648 466809685 /nfs/dbraw/zinc/80/96/85/466809685.db2.gz RGCZPPRVZFWOEX-WBVHZDCISA-N 1 0 347.415 2.180 20 5 EEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417238802 466812274 /nfs/dbraw/zinc/81/22/74/466812274.db2.gz ZCVAFSRAZBSJJP-UHFFFAOYSA-N 1 0 340.383 2.240 20 5 EEBDRO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631708 466888118 /nfs/dbraw/zinc/88/81/18/466888118.db2.gz AFULTYGUKFHVCK-ZBFHGGJFSA-N 1 0 330.388 2.241 20 5 EEBDRO O=C(NCC1=CC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418541733 467126147 /nfs/dbraw/zinc/12/61/47/467126147.db2.gz QTOAACMLEFITKP-MRXNPFEDSA-N 1 0 344.415 2.404 20 5 EEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000418671702 467144092 /nfs/dbraw/zinc/14/40/92/467144092.db2.gz SWCMPLKGZRINSK-HDJSIYSDSA-N 1 0 346.431 2.428 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418718512 467150099 /nfs/dbraw/zinc/15/00/99/467150099.db2.gz KEMUPLGDCFOHRO-UKRRQHHQSA-N 1 0 334.420 2.296 20 5 EEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427877666 467183564 /nfs/dbraw/zinc/18/35/64/467183564.db2.gz TZSQHUCEBPJAGJ-TZMCWYRMSA-N 1 0 343.387 2.113 20 5 EEBDRO CC[C@]1(O)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428433302 467233349 /nfs/dbraw/zinc/23/33/49/467233349.db2.gz SPMGVFCMBBPNPE-KRWDZBQOSA-N 1 0 330.388 2.342 20 5 EEBDRO Cc1n[nH]c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000428889195 467278886 /nfs/dbraw/zinc/27/88/86/467278886.db2.gz VOLHKYPLMVIMNM-CYBMUJFWSA-N 1 0 331.376 2.180 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429235768 467315131 /nfs/dbraw/zinc/31/51/31/467315131.db2.gz RSEROACIPBRPCV-ZDUSSCGKSA-N 1 0 341.367 2.304 20 5 EEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000420229853 467325228 /nfs/dbraw/zinc/32/52/28/467325228.db2.gz ONJGEFRPHOWUJZ-KWCYVHTRSA-N 1 0 329.360 2.208 20 5 EEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429780331 467369749 /nfs/dbraw/zinc/36/97/49/467369749.db2.gz CDUYXIZUTQCMHF-GJZGRUSLSA-N 1 0 335.404 2.386 20 5 EEBDRO CC[NH2+]CC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000430582607 467445657 /nfs/dbraw/zinc/44/56/57/467445657.db2.gz KMMMNKWFOPLTJN-UHFFFAOYSA-N 1 0 334.420 2.163 20 5 EEBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3C[NH2+]CCCO3)o2)c1 ZINC000415033802 467471528 /nfs/dbraw/zinc/47/15/28/467471528.db2.gz HFYPTRJGCXWDBP-INIZCTEOSA-N 1 0 331.372 2.323 20 5 EEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449725940 467700840 /nfs/dbraw/zinc/70/08/40/467700840.db2.gz OYZSAMJNFVICQG-RKDXNWHRSA-N 1 0 342.193 2.215 20 5 EEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457079712 467746942 /nfs/dbraw/zinc/74/69/42/467746942.db2.gz SHXWDTQAYFXYEK-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458209436 467790152 /nfs/dbraw/zinc/79/01/52/467790152.db2.gz OOBHWAUNTUUYMU-AWEZNQCLSA-N 1 0 347.415 2.406 20 5 EEBDRO C[C@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000450556199 467869218 /nfs/dbraw/zinc/86/92/18/467869218.db2.gz UUZHEMUHYMEZQQ-SWLSCSKDSA-N 1 0 333.388 2.157 20 5 EEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000493606122 467946630 /nfs/dbraw/zinc/94/66/30/467946630.db2.gz PDYKODXGCFFRIJ-DOTOQJQBSA-N 1 0 349.387 2.034 20 5 EEBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459545571 467961577 /nfs/dbraw/zinc/96/15/77/467961577.db2.gz SKUGIQKSLOYRBY-MRXNPFEDSA-N 1 0 349.431 2.361 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000530439500 467985009 /nfs/dbraw/zinc/98/50/09/467985009.db2.gz GZXPKDPBSWNQKL-DLBZAZTESA-N 1 0 345.403 2.261 20 5 EEBDRO C[NH+](C)C/C=C\C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493869343 468000326 /nfs/dbraw/zinc/00/03/26/468000326.db2.gz KWDZPKUIOIHHHS-ARJAWSKDSA-N 1 0 331.294 2.348 20 5 EEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000516394202 468025852 /nfs/dbraw/zinc/02/58/52/468025852.db2.gz VRQGLZLSYBLZMV-NWDGAFQWSA-N 1 0 349.387 2.174 20 5 EEBDRO COc1ccc(OCCN2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488020808 468068167 /nfs/dbraw/zinc/06/81/67/468068167.db2.gz CKMAPMYDYKELAV-INIZCTEOSA-N 1 0 337.420 2.254 20 5 EEBDRO Cc1c(NC(=O)CC[NH+]2CCC(CCO)CC2)cccc1[N+](=O)[O-] ZINC000533419367 468198438 /nfs/dbraw/zinc/19/84/38/468198438.db2.gz RTCMPKPSHGAYFL-UHFFFAOYSA-N 1 0 335.404 2.326 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1C ZINC000567859111 468224451 /nfs/dbraw/zinc/22/44/51/468224451.db2.gz UVSUCDFKKRWMAK-UHFFFAOYSA-N 1 0 349.412 2.149 20 5 EEBDRO Cc1cccc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000590387708 468244439 /nfs/dbraw/zinc/24/44/39/468244439.db2.gz HTPUSKPBZFTKOG-CQSZACIVSA-N 1 0 347.415 2.229 20 5 EEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600674214 468617017 /nfs/dbraw/zinc/61/70/17/468617017.db2.gz DYLFHLXKYHIBBJ-GFCCVEGCSA-N 1 0 340.811 2.238 20 5 EEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1 ZINC000600712194 468628967 /nfs/dbraw/zinc/62/89/67/468628967.db2.gz UPICCYBIYUBGDK-CHWSQXEVSA-N 1 0 325.434 2.044 20 5 EEBDRO Cc1cc(NCc2nnn(C(C)(C)C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000594596149 468630798 /nfs/dbraw/zinc/63/07/98/468630798.db2.gz NMENTDYFWQKSRM-UHFFFAOYSA-N 1 0 341.375 2.227 20 5 EEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000592140014 468634596 /nfs/dbraw/zinc/63/45/96/468634596.db2.gz SYENEIWQCWTTSX-RDJZCZTQSA-N 1 0 343.383 2.219 20 5 EEBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592255142 468665417 /nfs/dbraw/zinc/66/54/17/468665417.db2.gz MYOZJQRXTZEDSH-STQMWFEESA-N 1 0 332.404 2.029 20 5 EEBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@@H]4CCC[NH2+]4)no3)cn2)cc1 ZINC000592356988 468682718 /nfs/dbraw/zinc/68/27/18/468682718.db2.gz PAQLTUHQDHZGGB-ZDUSSCGKSA-N 1 0 326.316 2.255 20 5 EEBDRO CCc1cc(NC2CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600961475 468698470 /nfs/dbraw/zinc/69/84/70/468698470.db2.gz RLSMMZIRRKAEKD-UHFFFAOYSA-N 1 0 327.388 2.200 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H]3CNc4ccnn4C3)c2c1 ZINC000592513856 468717419 /nfs/dbraw/zinc/71/74/19/468717419.db2.gz QGNUOCXXABOQSG-GFCCVEGCSA-N 1 0 340.387 2.147 20 5 EEBDRO O=C(N[C@H]1CCC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592543810 468727415 /nfs/dbraw/zinc/72/74/15/468727415.db2.gz NAIHYQWNBYUVHB-HNNXBMFYSA-N 1 0 346.431 2.070 20 5 EEBDRO COc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594994105 468740013 /nfs/dbraw/zinc/74/00/13/468740013.db2.gz CBLXBQNUDZBJOE-KRWDZBQOSA-N 1 0 338.404 2.261 20 5 EEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000595004074 468742218 /nfs/dbraw/zinc/74/22/18/468742218.db2.gz NELLHIGWYRBVSE-CYBMUJFWSA-N 1 0 337.420 2.365 20 5 EEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000601126534 468753349 /nfs/dbraw/zinc/75/33/49/468753349.db2.gz SRNVXJQVEUHHCQ-AWEZNQCLSA-N 1 0 342.399 2.302 20 5 EEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000601215692 468784492 /nfs/dbraw/zinc/78/44/92/468784492.db2.gz BUZILBUOSHQJLW-UHFFFAOYSA-N 1 0 348.403 2.231 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595222258 468787653 /nfs/dbraw/zinc/78/76/53/468787653.db2.gz UOWGUQZEDVADTO-HNNXBMFYSA-N 1 0 347.415 2.455 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595222259 468787710 /nfs/dbraw/zinc/78/77/10/468787710.db2.gz UOWGUQZEDVADTO-OAHLLOKOSA-N 1 0 347.415 2.455 20 5 EEBDRO C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595258092 468795634 /nfs/dbraw/zinc/79/56/34/468795634.db2.gz IXAGWLBNCQCBQM-ZIAGYGMSSA-N 1 0 335.404 2.340 20 5 EEBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598261129 468809887 /nfs/dbraw/zinc/80/98/87/468809887.db2.gz FBYNIXLFAGFRKP-ZDUSSCGKSA-N 1 0 335.404 2.454 20 5 EEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000598342294 468836701 /nfs/dbraw/zinc/83/67/01/468836701.db2.gz LWWQUMNQSYURTD-NSHDSACASA-N 1 0 344.371 2.063 20 5 EEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504195 468879258 /nfs/dbraw/zinc/87/92/58/468879258.db2.gz FYKMOGKAEUFTSQ-KSSFIOAISA-N 1 0 346.431 2.340 20 5 EEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000593188749 468899419 /nfs/dbraw/zinc/89/94/19/468899419.db2.gz PDBKPBVOKNKYHE-MCIONIFRSA-N 1 0 344.415 2.489 20 5 EEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562301310 468933295 /nfs/dbraw/zinc/93/32/95/468933295.db2.gz LINDRQLKJLIFEK-UONOGXRCSA-N 1 0 349.431 2.002 20 5 EEBDRO CC(C)c1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657030 468942403 /nfs/dbraw/zinc/94/24/03/468942403.db2.gz HOTYEAYUKZGOAY-SFHVURJKSA-N 1 0 344.415 2.334 20 5 EEBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CCO ZINC000595695886 468958449 /nfs/dbraw/zinc/95/84/49/468958449.db2.gz IXFGTCMNNZKWNQ-MLGOLLRUSA-N 1 0 336.388 2.444 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595695892 468958712 /nfs/dbraw/zinc/95/87/12/468958712.db2.gz IYIUCQOSSXQCQS-WBMJQRKESA-N 1 0 335.404 2.325 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCCC[C@H]3O)CC2)cn1 ZINC000602663043 468994915 /nfs/dbraw/zinc/99/49/15/468994915.db2.gz SAOIUPOCRLYDQF-HZPDHXFCSA-N 1 0 334.420 2.242 20 5 EEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cn2cccn2)c2ccccc2)n1 ZINC000610582717 469009301 /nfs/dbraw/zinc/00/93/01/469009301.db2.gz QZTPKRYDXVPBCN-OAHLLOKOSA-N 1 0 326.360 2.019 20 5 EEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610583376 469011791 /nfs/dbraw/zinc/01/17/91/469011791.db2.gz SFEUEIWRZHGVDU-CABCVRRESA-N 1 0 346.431 2.400 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000602841842 469111494 /nfs/dbraw/zinc/11/14/94/469111494.db2.gz WBHSULUJMUOUHI-NSHDSACASA-N 1 0 326.397 2.009 20 5 EEBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000601973119 469121774 /nfs/dbraw/zinc/12/17/74/469121774.db2.gz HRTZHXAOLPMVJB-PXAZEXFGSA-N 1 0 330.388 2.041 20 5 EEBDRO CSC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602920006 469164953 /nfs/dbraw/zinc/16/49/53/469164953.db2.gz PMVRQQNVYCKISL-ZDUSSCGKSA-N 1 0 326.418 2.162 20 5 EEBDRO NC(=O)c1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596137594 469171811 /nfs/dbraw/zinc/17/18/11/469171811.db2.gz MZLLXACWXCEPEI-CYBMUJFWSA-N 1 0 332.404 2.006 20 5 EEBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000611197716 469190654 /nfs/dbraw/zinc/19/06/54/469190654.db2.gz ZUMVOCZCJZSOAP-UHFFFAOYSA-N 1 0 344.371 2.132 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000602958934 469190824 /nfs/dbraw/zinc/19/08/24/469190824.db2.gz RCHDKAVYWLWCGK-UHFFFAOYSA-N 1 0 349.435 2.306 20 5 EEBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286351 469219938 /nfs/dbraw/zinc/21/99/38/469219938.db2.gz QTKHDGSPAZUAGM-DZGCQCFKSA-N 1 0 347.415 2.282 20 5 EEBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000611337298 469230225 /nfs/dbraw/zinc/23/02/25/469230225.db2.gz ZMOMPNQBJVJYSW-LBPRGKRZSA-N 1 0 329.360 2.200 20 5 EEBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596460926 469274692 /nfs/dbraw/zinc/27/46/92/469274692.db2.gz ARLYUMFXPNDRPK-HNNXBMFYSA-N 1 0 342.399 2.449 20 5 EEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)cn1 ZINC000602573099 469367499 /nfs/dbraw/zinc/36/74/99/469367499.db2.gz YPNRYEVKGTYKTG-HNNXBMFYSA-N 1 0 342.403 2.349 20 5 EEBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000602575568 469369128 /nfs/dbraw/zinc/36/91/28/469369128.db2.gz FLTKNIRUTSVVGE-UHFFFAOYSA-N 1 0 341.367 2.412 20 5 EEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000602584277 469372222 /nfs/dbraw/zinc/37/22/22/469372222.db2.gz ZBBXIDMQYVOYCE-HNNXBMFYSA-N 1 0 347.415 2.134 20 5 EEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590483 469374553 /nfs/dbraw/zinc/37/45/53/469374553.db2.gz IPZBPEGQTMSKEQ-PHIMTYICSA-N 1 0 341.820 2.303 20 5 EEBDRO CN(CCCC[NH+]1CCCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000603423988 469391457 /nfs/dbraw/zinc/39/14/57/469391457.db2.gz TVAMWQDDGWDSQO-UHFFFAOYSA-N 1 0 332.408 2.340 20 5 EEBDRO CCCC(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603682469 469422856 /nfs/dbraw/zinc/42/28/56/469422856.db2.gz SLWURILNNWSBIN-UHFFFAOYSA-N 1 0 335.404 2.354 20 5 EEBDRO CC[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000616865348 469526239 /nfs/dbraw/zinc/52/62/39/469526239.db2.gz LPPWWLICPNSCJP-CQSZACIVSA-N 1 0 327.768 2.345 20 5 EEBDRO CC(C)[NH2+][C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000609595527 469945659 /nfs/dbraw/zinc/94/56/59/469945659.db2.gz KGRQEAYOWWKHBP-NSHDSACASA-N 1 0 331.376 2.210 20 5 EEBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000610069271 469978068 /nfs/dbraw/zinc/97/80/68/469978068.db2.gz ICZOZXUYVIJSLN-OAHLLOKOSA-N 1 0 334.420 2.306 20 5 EEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594204038 485602867 /nfs/dbraw/zinc/60/28/67/485602867.db2.gz WMXKGKQVJHIPQQ-GJZGRUSLSA-N 1 0 333.388 2.350 20 5 EEBDRO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000182222952 533937220 /nfs/dbraw/zinc/93/72/20/533937220.db2.gz JHZPVMJMEUTADF-LLVKDONJSA-N 1 0 338.383 2.310 20 5 EEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186795845 534100533 /nfs/dbraw/zinc/10/05/33/534100533.db2.gz SUXPXFQEZMZOPI-ZWNOBZJWSA-N 1 0 346.412 2.446 20 5 EEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188250259 528104274 /nfs/dbraw/zinc/10/42/74/528104274.db2.gz OFFIBKVURWMMBS-UHFFFAOYSA-N 1 0 343.449 2.337 20 5 EEBDRO CC(C)(C(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429823196 535020846 /nfs/dbraw/zinc/02/08/46/535020846.db2.gz DBVUHTKPHBRBOC-UHFFFAOYSA-N 1 0 331.416 2.427 20 5 EEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000456394507 535850786 /nfs/dbraw/zinc/85/07/86/535850786.db2.gz YRPVXLSXBFJAFW-CQSZACIVSA-N 1 0 335.404 2.468 20 5 EEBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491687200 535935784 /nfs/dbraw/zinc/93/57/84/535935784.db2.gz UWLIZJBCNIPFHJ-MIOHMZDASA-N 1 0 333.363 2.442 20 5 EEBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000439140078 536131935 /nfs/dbraw/zinc/13/19/35/536131935.db2.gz YNGTXSFKWVJNPM-HNNXBMFYSA-N 1 0 328.372 2.409 20 5 EEBDRO COc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424038309 536712594 /nfs/dbraw/zinc/71/25/94/536712594.db2.gz WOUBTSXXHRENQS-MRXNPFEDSA-N 1 0 347.415 2.454 20 5 EEBDRO COc1cc(C[N@@H+](C)C2CCN(OC)CC2)c([N+](=O)[O-])cc1F ZINC000459580849 536744424 /nfs/dbraw/zinc/74/44/24/536744424.db2.gz NFKPSWOFNLTXEK-UHFFFAOYSA-N 1 0 327.356 2.200 20 5 EEBDRO C[NH+](C)CC1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738075718 577998421 /nfs/dbraw/zinc/99/84/21/577998421.db2.gz JPTGKXGTGPMSIX-UHFFFAOYSA-N 1 0 344.419 2.084 20 5 EEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773190808 577321690 /nfs/dbraw/zinc/32/16/90/577321690.db2.gz LOIVRDZBPDMSAA-LLVKDONJSA-N 1 0 344.371 2.063 20 5 EEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000777309029 577476418 /nfs/dbraw/zinc/47/64/18/577476418.db2.gz IULJZQMPJNTUTH-UKRRQHHQSA-N 1 0 336.388 2.476 20 5 EEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760890534 577671459 /nfs/dbraw/zinc/67/14/59/577671459.db2.gz XSZVVJUUVKBXAL-QZTJIDSGSA-N 1 0 349.431 2.347 20 5 EEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761067585 577675489 /nfs/dbraw/zinc/67/54/89/577675489.db2.gz FXQKTHMNQXKHNC-WDEREUQCSA-N 1 0 340.811 2.211 20 5 EEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742309580 577870821 /nfs/dbraw/zinc/87/08/21/577870821.db2.gz POIUPWOWXYRQFU-MWLCHTKSSA-N 1 0 347.824 2.009 20 5 EEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000742413082 577872621 /nfs/dbraw/zinc/87/26/21/577872621.db2.gz ZLRWQFNVHBKSCQ-JOYOIKCWSA-N 1 0 338.364 2.198 20 5 EEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000749941333 577984163 /nfs/dbraw/zinc/98/41/63/577984163.db2.gz GNZNHLUPOSQFIT-UHFFFAOYSA-N 1 0 349.435 2.401 20 5 EEBDRO Cc1nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749950721 577984439 /nfs/dbraw/zinc/98/44/39/577984439.db2.gz VJHGTYSGMRYYCJ-UHFFFAOYSA-N 1 0 346.435 2.412 20 5 EEBDRO CC(C)[N@@H+]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742147445 578127964 /nfs/dbraw/zinc/12/79/64/578127964.db2.gz CMPGEHQUDVZWTD-UHFFFAOYSA-N 1 0 344.419 2.227 20 5 EEBDRO CC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000736013951 578177269 /nfs/dbraw/zinc/17/72/69/578177269.db2.gz VEKCDCGRPXMYGG-CQSZACIVSA-N 1 0 337.376 2.197 20 5 EEBDRO O=C(Cc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020791247 675496981 /nfs/dbraw/zinc/49/69/81/675496981.db2.gz UPFVEIFDZYZPFT-HDJSIYSDSA-N 1 0 329.356 2.167 20 5 EEBDRO COc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001020807915 675505272 /nfs/dbraw/zinc/50/52/72/675505272.db2.gz SGDPXVWZDWYZEM-JOCQHMNTSA-N 1 0 345.355 2.247 20 5 EEBDRO Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC001021884731 676535532 /nfs/dbraw/zinc/53/55/32/676535532.db2.gz OFGWZKNESAYZQW-BETUJISGSA-N 1 0 346.412 2.410 20 5 EEBDRO CCc1ocnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021905423 676544449 /nfs/dbraw/zinc/54/44/49/676544449.db2.gz QSPJJMIZAMZVOB-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891447861 676627621 /nfs/dbraw/zinc/62/76/21/676627621.db2.gz ZCTGOWGZPJKOMN-INIZCTEOSA-N 1 0 340.383 2.109 20 5 EEBDRO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063740 676628316 /nfs/dbraw/zinc/62/83/16/676628316.db2.gz KRQJVAZFAZKONL-NWJSVONSSA-N 1 0 337.807 2.050 20 5 EEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC001022262412 676775229 /nfs/dbraw/zinc/77/52/29/676775229.db2.gz VQNYALLLKDPRCI-AOOOYVTPSA-N 1 0 338.414 2.163 20 5 EEBDRO Cc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022638995 676906714 /nfs/dbraw/zinc/90/67/14/676906714.db2.gz IOLZSKBHWMAWDA-PHIMTYICSA-N 1 0 336.373 2.003 20 5 EEBDRO CCc1oncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022793363 678537633 /nfs/dbraw/zinc/53/76/33/678537633.db2.gz ZASVTLGEEXEDDV-BETUJISGSA-N 1 0 344.371 2.196 20 5 EEBDRO Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000892536548 681626830 /nfs/dbraw/zinc/62/68/30/681626830.db2.gz HGUWBLUISMIHDE-QGZVFWFLSA-N 1 0 332.404 2.188 20 5 EEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892591633 681890066 /nfs/dbraw/zinc/89/00/66/681890066.db2.gz YVZBISKXQAZGQN-MUJYYYPQSA-N 1 0 346.431 2.309 20 5 EEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707783 683043427 /nfs/dbraw/zinc/04/34/27/683043427.db2.gz PFJQBTMTGAZXJA-MGPQQGTHSA-N 1 0 336.388 2.434 20 5 EEBDRO C[C@@]1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892802167 683081773 /nfs/dbraw/zinc/08/17/73/683081773.db2.gz ZWHBUMJXPUBVGX-MRXNPFEDSA-N 1 0 335.429 2.287 20 5 EEBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC=CC1 ZINC001025716572 683245512 /nfs/dbraw/zinc/24/55/12/683245512.db2.gz JLCSZZFPOSMRDO-QLPKVWCKSA-N 1 0 327.384 2.107 20 5 EEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159082804 683991886 /nfs/dbraw/zinc/99/18/86/683991886.db2.gz BHWKFMBROIOCRB-UHFFFAOYSA-N 1 0 344.209 2.427 20 5 EEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000125141692 686917743 /nfs/dbraw/zinc/91/77/43/686917743.db2.gz YIVSIVBBMSYJSC-UWVGGRQHSA-N 1 0 347.824 2.057 20 5 EEBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000991055714 694474840 /nfs/dbraw/zinc/47/48/40/694474840.db2.gz KZPQGRAFMYVMIS-UHFFFAOYSA-N 1 0 342.399 2.328 20 5 EEBDRO O=C(NCC[NH2+]CCCc1cccc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938478 1189087002 /nfs/dbraw/zinc/08/70/02/1189087002.db2.gz AQWMSEGBGPHBMX-QZTJIDSGSA-N 1 0 341.411 2.143 20 5 EEBDRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905414836 1189713681 /nfs/dbraw/zinc/71/36/81/1189713681.db2.gz BVFQCTOMYLWBCD-HNNXBMFYSA-N 1 0 335.404 2.215 20 5 EEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC2CCSCC2)cc1 ZINC000905705693 1189876360 /nfs/dbraw/zinc/87/63/60/1189876360.db2.gz RKZLBZPYGLDKNL-HNNXBMFYSA-N 1 0 326.418 2.130 20 5 EEBDRO CC1(NC(=O)c2cn[nH]c2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045375219 1196042774 /nfs/dbraw/zinc/04/27/74/1196042774.db2.gz OUYCJGNZTHHCAO-UHFFFAOYSA-N 1 0 343.387 2.102 20 5 EEBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815136427 1197863818 /nfs/dbraw/zinc/86/38/18/1197863818.db2.gz AARHFKDNCQBKIC-UHFFFAOYSA-N 1 0 327.356 2.467 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000872028007 1198029567 /nfs/dbraw/zinc/02/95/67/1198029567.db2.gz OYCGJMMMXVMNFT-GXTWGEPZSA-N 1 0 339.461 2.424 20 5 EEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000872037931 1198033359 /nfs/dbraw/zinc/03/33/59/1198033359.db2.gz HDVLEMWPYNZWTR-QMTHXVAHSA-N 1 0 336.417 2.434 20 5 EEBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC000813618883 1199118161 /nfs/dbraw/zinc/11/81/61/1199118161.db2.gz PLIPQLNOLPLFNO-INIZCTEOSA-N 1 0 346.362 2.349 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC001134270062 1199438064 /nfs/dbraw/zinc/43/80/64/1199438064.db2.gz VSJQKXGWXPQGMH-UHFFFAOYSA-N 1 0 339.395 2.216 20 5 EEBDRO Cn1nc(C(F)(F)F)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000825903788 1199777841 /nfs/dbraw/zinc/77/78/41/1199777841.db2.gz RPUYSLPSZHLRPD-UHFFFAOYSA-N 1 0 343.309 2.312 20 5 EEBDRO CN1CC[NH+](C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000877747391 1200072616 /nfs/dbraw/zinc/07/26/16/1200072616.db2.gz JNUFLCDSVFMJOZ-XQRVVYSFSA-N 1 0 344.459 2.320 20 5 EEBDRO C[NH+](C)C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878104213 1200261042 /nfs/dbraw/zinc/26/10/42/1200261042.db2.gz LGBWGTNEDKGNEF-LBPRGKRZSA-N 1 0 331.376 2.028 20 5 EEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879227839 1200939348 /nfs/dbraw/zinc/93/93/48/1200939348.db2.gz OMTOHQZLKORRFN-UHFFFAOYSA-N 1 0 348.403 2.360 20 5 EEBDRO COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000880040787 1201360343 /nfs/dbraw/zinc/36/03/43/1201360343.db2.gz KBXYEJGLMRAMHV-XJKSGUPXSA-N 1 0 336.388 2.293 20 5 EEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000866261696 1201478956 /nfs/dbraw/zinc/47/89/56/1201478956.db2.gz YUHSSYLBDWWTTA-HZSPNIEDSA-N 1 0 339.411 2.364 20 5 EEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364276 1201500720 /nfs/dbraw/zinc/50/07/20/1201500720.db2.gz QDCCZTBBWBDRNM-DETPVDSQSA-N 1 0 326.368 2.306 20 5 EEBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000882171567 1201825923 /nfs/dbraw/zinc/82/59/23/1201825923.db2.gz FXYLDTGDPNYSIG-AWEZNQCLSA-N 1 0 346.362 2.308 20 5 EEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280096 1206621390 /nfs/dbraw/zinc/62/13/90/1206621390.db2.gz CBNNVYOPJRVGOQ-BSLXNSKLSA-N 1 0 343.387 2.198 20 5 EEBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931656138 1207434161 /nfs/dbraw/zinc/43/41/61/1207434161.db2.gz NNWJHUGHGHRTMJ-LLVKDONJSA-N 1 0 331.294 2.228 20 5 EEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778268597 1208027577 /nfs/dbraw/zinc/02/75/77/1208027577.db2.gz GGOVKRNLGCOGIW-LLVKDONJSA-N 1 0 349.416 2.204 20 5 EEBDRO CC1=CC[N@H+](CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935398388 1208145876 /nfs/dbraw/zinc/14/58/76/1208145876.db2.gz KCFVMHYBFJWFJN-IRXDYDNUSA-N 1 0 329.400 2.467 20 5 EEBDRO CCCCC(=O)NCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001111311970 1210154596 /nfs/dbraw/zinc/15/45/96/1210154596.db2.gz GSYYMIKHKSPBRF-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC000195157322 1211329038 /nfs/dbraw/zinc/32/90/38/1211329038.db2.gz RLLWKGWQPRJSMU-INIZCTEOSA-N 1 0 346.362 2.349 20 5 EEBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000795712001 1215000909 /nfs/dbraw/zinc/00/09/09/1215000909.db2.gz UJMIEXOFZDUECY-GOSISDBHSA-N 1 0 341.415 2.347 20 5 EEBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114775813 1215279264 /nfs/dbraw/zinc/27/92/64/1215279264.db2.gz JGYJXRKCDGOSAO-CTYIDZIISA-N 1 0 334.420 2.242 20 5 EEBDRO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019981030 1229427147 /nfs/dbraw/zinc/42/71/47/1229427147.db2.gz RFSAKNLQEPCTDG-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020047557 1229457847 /nfs/dbraw/zinc/45/78/47/1229457847.db2.gz SOXIIGAMRYXTRN-HDJSIYSDSA-N 1 0 344.371 2.250 20 5 EEBDRO Cn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001020067887 1229468495 /nfs/dbraw/zinc/46/84/95/1229468495.db2.gz BYPNINQTLOLSRW-JOCQHMNTSA-N 1 0 334.401 2.045 20 5 EEBDRO CCc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001020093946 1229481374 /nfs/dbraw/zinc/48/13/74/1229481374.db2.gz QWUSYWQTXJJQRS-JOCQHMNTSA-N 1 0 344.371 2.196 20 5 EEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000119777067 1229597377 /nfs/dbraw/zinc/59/73/77/1229597377.db2.gz WIWVBWARBLGWNU-LLVKDONJSA-N 1 0 349.478 2.301 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001048814656 1238720657 /nfs/dbraw/zinc/72/06/57/1238720657.db2.gz WJPNHCHZYHOVDM-YYIAUSFCSA-N 1 0 335.448 2.012 20 5 EEBDRO C[NH+](C)C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])c2ccccc2O1 ZINC000827095861 1249870645 /nfs/dbraw/zinc/87/06/45/1249870645.db2.gz MNYUSHQPZWTMHQ-CYBMUJFWSA-N 1 0 335.404 2.178 20 5 EEBDRO C[NH+](C)C1(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001057188377 1242320769 /nfs/dbraw/zinc/32/07/69/1242320769.db2.gz IXSFNGXXRHTTND-UHFFFAOYSA-N 1 0 346.431 2.118 20 5 EEBDRO Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001096904001 1243449762 /nfs/dbraw/zinc/44/97/62/1243449762.db2.gz YUBBQTQSLONLEO-GASCZTMLSA-N 1 0 346.431 2.035 20 5 EEBDRO O=C(C1CC1)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050398087 1243507959 /nfs/dbraw/zinc/50/79/59/1243507959.db2.gz LBUWPPTUVKJEEN-UHFFFAOYSA-N 1 0 329.400 2.429 20 5 EEBDRO CCCN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001101146964 1245449557 /nfs/dbraw/zinc/44/95/57/1245449557.db2.gz BUCFTOSBXNXQIS-UHFFFAOYSA-N 1 0 348.447 2.332 20 5 EEBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001101228628 1245544432 /nfs/dbraw/zinc/54/44/32/1245544432.db2.gz IRZMLDYZUNFVEJ-UHFFFAOYSA-N 1 0 340.399 2.018 20 5 EEBDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558864 1277267289 /nfs/dbraw/zinc/26/72/89/1277267289.db2.gz UXOYHZIJMIIFIS-IUODEOHRSA-N 1 0 334.420 2.081 20 5 EEBDRO CC1(C)OC[C@@H](CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843477 1291880295 /nfs/dbraw/zinc/88/02/95/1291880295.db2.gz IEAGTEJACWLYSU-GXTWGEPZSA-N 1 0 336.392 2.018 20 5 EEBDRO Cn1nccc1[C@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801560 1293639789 /nfs/dbraw/zinc/63/97/89/1293639789.db2.gz STGQNXPAAWTCLW-GOSISDBHSA-N 1 0 344.415 2.316 20 5 EEBDRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072391324 1295601389 /nfs/dbraw/zinc/60/13/89/1295601389.db2.gz CKKCNBZSPFJZJY-UHFFFAOYSA-N 1 0 339.342 2.284 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)cc1 ZINC001218109541 1297574926 /nfs/dbraw/zinc/57/49/26/1297574926.db2.gz AQANOFCCKBTLIM-SJLPKXTDSA-N 1 0 325.368 2.297 20 5 EEBDRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC(OCCC[N+](C)(C)C)C1 ZINC001224621726 1300671645 /nfs/dbraw/zinc/67/16/45/1300671645.db2.gz CLNXEIQHSXYIIU-UHFFFAOYSA-N 1 0 344.472 2.151 20 5 EEBDRO CCc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1Br ZINC001225400875 1300986693 /nfs/dbraw/zinc/98/66/93/1300986693.db2.gz NTUUUIIVFIEMIU-GFCCVEGCSA-N 1 0 345.257 2.374 20 5 EEBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]1CC(=O)C2 ZINC001227217910 1301736009 /nfs/dbraw/zinc/73/60/09/1301736009.db2.gz AOKIOQRWZCNPOS-JJMVLAAESA-N 1 0 343.339 2.032 20 5 EEBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449414 1301832740 /nfs/dbraw/zinc/83/27/40/1301832740.db2.gz PTZKSMSOJIEAAU-OAHLLOKOSA-N 1 0 340.379 2.393 20 5 EEBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001227725770 1301942296 /nfs/dbraw/zinc/94/22/96/1301942296.db2.gz ZLAKWVPMAOTVDZ-GFCCVEGCSA-N 1 0 337.444 2.201 20 5 EEBDRO CC(=O)Nc1cccc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc21 ZINC001228180897 1302142189 /nfs/dbraw/zinc/14/21/89/1302142189.db2.gz XOFNIMPQGSTIRJ-OAHLLOKOSA-O 1 0 345.419 2.161 20 5 EEBDRO CC(=O)c1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2ccccc21 ZINC001228247647 1302173962 /nfs/dbraw/zinc/17/39/62/1302173962.db2.gz HQRKUUHNCCEBRO-OAHLLOKOSA-N 1 0 330.404 2.405 20 5 EEBDRO Cc1[nH]c(=O)cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228684923 1302379336 /nfs/dbraw/zinc/37/93/36/1302379336.db2.gz BPONNHVQWCWLAJ-JOCQHMNTSA-N 1 0 337.376 2.026 20 5 EEBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CC1 ZINC001229147225 1302640867 /nfs/dbraw/zinc/64/08/67/1302640867.db2.gz BWUBEERNQTVCOS-UHFFFAOYSA-N 1 0 335.379 2.425 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC001231183404 1303670684 /nfs/dbraw/zinc/67/06/84/1303670684.db2.gz ILXQLKWAOVTWMH-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO C[N@H+](CCCNC(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001231197014 1303677392 /nfs/dbraw/zinc/67/73/92/1303677392.db2.gz XQTVLAKFPWZXFJ-UHFFFAOYSA-N 1 0 328.372 2.242 20 5 EEBDRO C[NH+](C)CCCCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCC1 ZINC001111829060 1303958781 /nfs/dbraw/zinc/95/87/81/1303958781.db2.gz QGGQKNJSVWSXNA-UHFFFAOYSA-N 1 0 349.435 2.173 20 5 EEBDRO NC(=O)NC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219532 1304042839 /nfs/dbraw/zinc/04/28/39/1304042839.db2.gz VFBSHCBQECPAHX-UHFFFAOYSA-N 1 0 335.411 2.416 20 5 EEBDRO Cc1cc(OCC(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000797613217 1304790018 /nfs/dbraw/zinc/79/00/18/1304790018.db2.gz IFZHZTXKVWKKKV-CQSZACIVSA-N 1 0 335.404 2.273 20 5 EEBDRO Cc1cncc([N+](=O)[O-])c1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001117290107 1306021966 /nfs/dbraw/zinc/02/19/66/1306021966.db2.gz QSMUQSHTZQHPDY-UHFFFAOYSA-N 1 0 344.415 2.315 20 5 EEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC001119789076 1309204047 /nfs/dbraw/zinc/20/40/47/1309204047.db2.gz RUGQMYRDCQZCJO-YGRLFVJLSA-N 1 0 340.221 2.493 20 5 EEBDRO [NH3+]Cc1cccc(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001248173146 1310855340 /nfs/dbraw/zinc/85/53/40/1310855340.db2.gz LOOUTPHCKDCFCT-UHFFFAOYSA-N 1 0 329.291 2.228 20 5 EEBDRO COCC[N@H+]1[C@H](C)CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000830075271 1314525502 /nfs/dbraw/zinc/52/55/02/1314525502.db2.gz YWYLHCHQSXRWPW-TXEJJXNPSA-N 1 0 343.374 2.414 20 5 EEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000839576429 1315217027 /nfs/dbraw/zinc/21/70/27/1315217027.db2.gz GCHJVSBSHRPBKH-INIZCTEOSA-N 1 0 346.387 2.142 20 5 EEBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000839727598 1315237442 /nfs/dbraw/zinc/23/74/42/1315237442.db2.gz CKELAYJVNFAVJC-UPJWGTAASA-N 1 0 345.321 2.090 20 5 EEBDRO C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841857405 1315624955 /nfs/dbraw/zinc/62/49/55/1315624955.db2.gz YANBVXPJVRXLKR-MWLCHTKSSA-N 1 0 326.784 2.188 20 5 EEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000842479809 1315713839 /nfs/dbraw/zinc/71/38/39/1315713839.db2.gz YTKWHXLFXYSOOB-WBVHZDCISA-N 1 0 337.395 2.452 20 5 EEBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1-n1ccnc1 ZINC000842663044 1315749122 /nfs/dbraw/zinc/74/91/22/1315749122.db2.gz XBYKGPAOMIGMRS-GFCCVEGCSA-N 1 0 340.343 2.298 20 5 EEBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843075844 1315835935 /nfs/dbraw/zinc/83/59/35/1315835935.db2.gz AVNOGVBGILNQIA-WMZOPIPTSA-N 1 0 330.384 2.130 20 5 EEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CC[NH3+])no2)CC1 ZINC000843131929 1315850795 /nfs/dbraw/zinc/85/07/95/1315850795.db2.gz DZPYNYHIHSOMNL-UHFFFAOYSA-N 1 0 331.376 2.382 20 5 EEBDRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843348397 1315897015 /nfs/dbraw/zinc/89/70/15/1315897015.db2.gz FNWNNEBOHWLQTF-JTQLQIEISA-N 1 0 340.811 2.246 20 5 EEBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843365152 1315901399 /nfs/dbraw/zinc/90/13/99/1315901399.db2.gz CZPQNCKDVCHWBT-LBPRGKRZSA-N 1 0 340.811 2.261 20 5 EEBDRO COc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)nc(OC)c1[N+](=O)[O-] ZINC001155337474 1317557731 /nfs/dbraw/zinc/55/77/31/1317557731.db2.gz BLJYUZZVHNHGDO-VIFPVBQESA-N 1 0 343.343 2.366 20 5 EEBDRO [NH3+]CC1CN([C@H]2CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001155372401 1317569271 /nfs/dbraw/zinc/56/92/71/1317569271.db2.gz GOBPERCCLPMOAY-AWEZNQCLSA-N 1 0 341.415 2.002 20 5 EEBDRO O=[N+]([O-])c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)nc1-c1ccccc1 ZINC001155514913 1317631657 /nfs/dbraw/zinc/63/16/57/1317631657.db2.gz NDWPVZIROIBSDV-KSSFIOAISA-N 1 0 340.383 2.305 20 5 EEBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[NH2+]C[C@H]1c1cccs1 ZINC001156097029 1317874825 /nfs/dbraw/zinc/87/48/25/1317874825.db2.gz FMSAKHLOYQWBQY-JTQLQIEISA-N 1 0 340.792 2.094 20 5 EEBDRO CCCc1nnc(-c2cc([N+](=O)[O-])cc(N3CC[NH+](C)CC3)c2)o1 ZINC001254031570 1317986438 /nfs/dbraw/zinc/98/64/38/1317986438.db2.gz DPMKFPIONDDQEV-UHFFFAOYSA-N 1 0 331.376 2.349 20 5 EEBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1C ZINC001254465947 1318081379 /nfs/dbraw/zinc/08/13/79/1318081379.db2.gz QQPSXRPVYVEVJH-UHFFFAOYSA-N 1 0 329.404 2.395 20 5 EEBDRO Cc1ccnc(N(Cc2ccccc2)C2(C[NH3+])COC2)c1[N+](=O)[O-] ZINC001156632761 1318122464 /nfs/dbraw/zinc/12/24/64/1318122464.db2.gz SEEHIHBKOOLBMI-UHFFFAOYSA-N 1 0 328.372 2.033 20 5 EEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001254562354 1318122600 /nfs/dbraw/zinc/12/26/00/1318122600.db2.gz KVFJLTJQHVHYBA-INIZCTEOSA-N 1 0 346.475 2.238 20 5 EEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OCC3CC3)ncn1)C2 ZINC001254587577 1318134839 /nfs/dbraw/zinc/13/48/39/1318134839.db2.gz QFWLWVILSJOUHH-HNNXBMFYSA-N 1 0 340.383 2.431 20 5 EEBDRO [NH3+]Cc1nn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156856085 1318246186 /nfs/dbraw/zinc/24/61/86/1318246186.db2.gz WCJUFGGZIXVTKE-UHFFFAOYSA-N 1 0 339.142 2.489 20 5 EEBDRO CN(C)/C=C/c1cc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001157272360 1318536756 /nfs/dbraw/zinc/53/67/56/1318536756.db2.gz MOFRIPRDGKOTJG-YKNXIFKJSA-N 1 0 331.420 2.053 20 5 EEBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256093951 1318646137 /nfs/dbraw/zinc/64/61/37/1318646137.db2.gz TUVIQJYXVUMSDN-HNNXBMFYSA-N 1 0 335.404 2.029 20 5 EEBDRO CCOC(=O)c1ccnc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001157803081 1318871369 /nfs/dbraw/zinc/87/13/69/1318871369.db2.gz LKEHIZXJYKDENF-STQMWFEESA-N 1 0 336.392 2.451 20 5 EEBDRO COc1cc2ncnc(N(C(C)C)[C@@H]3CC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001158025701 1318975147 /nfs/dbraw/zinc/97/51/47/1318975147.db2.gz OVIRRXDIWXIPJF-LLVKDONJSA-N 1 0 331.376 2.123 20 5 EEBDRO COc1cc2ncnc(N3CCC[C@](C)(C[NH3+])C3)c2cc1[N+](=O)[O-] ZINC001158678116 1319372468 /nfs/dbraw/zinc/37/24/68/1319372468.db2.gz CBWWGMJJLBEWIR-MRXNPFEDSA-N 1 0 331.376 2.112 20 5 EEBDRO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108002 1320071541 /nfs/dbraw/zinc/07/15/41/1320071541.db2.gz BNIQVNKKLYWZII-UHFFFAOYSA-N 1 0 331.351 2.151 20 5 EEBDRO O=[N+]([O-])c1ccc2ccc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC001161464749 1320508570 /nfs/dbraw/zinc/50/85/70/1320508570.db2.gz PLDDRGQWLWMUPO-MRXNPFEDSA-N 1 0 341.415 2.381 20 5 EEBDRO CCOC(=O)c1cnc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001162453843 1320859956 /nfs/dbraw/zinc/85/99/56/1320859956.db2.gz MCYSRQXBCDGGBL-NEPJUHHUSA-N 1 0 336.392 2.214 20 5 EEBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001162537748 1320891308 /nfs/dbraw/zinc/89/13/08/1320891308.db2.gz RUHPITPQCOSCOL-UHFFFAOYSA-N 1 0 332.360 2.341 20 5 EEBDRO COCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001162697196 1320933401 /nfs/dbraw/zinc/93/34/01/1320933401.db2.gz WCNPKVJOQQWZPE-UHFFFAOYSA-N 1 0 335.404 2.007 20 5 EEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC001162740814 1320946183 /nfs/dbraw/zinc/94/61/83/1320946183.db2.gz UCWNKUXYTAVCMC-LBPRGKRZSA-N 1 0 333.779 2.237 20 5 EEBDRO COc1cnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1[N+](=O)[O-] ZINC001163056037 1321024801 /nfs/dbraw/zinc/02/48/01/1321024801.db2.gz MSHGFYKDERVLEC-GFCCVEGCSA-N 1 0 331.376 2.022 20 5 EEBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@@H]3COCCC34C[NH2+]C4)nc21 ZINC001163071570 1321028537 /nfs/dbraw/zinc/02/85/37/1321028537.db2.gz AUSTZKSAIKEPKQ-CYBMUJFWSA-N 1 0 332.335 2.073 20 5 EEBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163226944 1321072034 /nfs/dbraw/zinc/07/20/34/1321072034.db2.gz NVGFLQSFTYVXFJ-SNVBAGLBSA-N 1 0 348.384 2.403 20 5 EEBDRO COc1cc2ncnc(N3C[C@H](C)CC[C@@H]3C[NH3+])c2cc1[N+](=O)[O-] ZINC001164069697 1321284510 /nfs/dbraw/zinc/28/45/10/1321284510.db2.gz KUQOMGRCQHAVIH-GHMZBOCLSA-N 1 0 331.376 2.110 20 5 EEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC001165139843 1321464303 /nfs/dbraw/zinc/46/43/03/1321464303.db2.gz LYNFYNUBIQFDPZ-UHFFFAOYSA-N 1 0 331.829 2.292 20 5 EEBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC(C3C[NH2+]C3)CC2)nn1 ZINC001165412867 1321520524 /nfs/dbraw/zinc/52/05/24/1321520524.db2.gz RTBJRCBJCRRQDG-UHFFFAOYSA-N 1 0 339.399 2.488 20 5 EEBDRO [NH3+]C1([C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2CF)CC1 ZINC001165432927 1321525620 /nfs/dbraw/zinc/52/56/20/1321525620.db2.gz VFTKQCZFTHQCOS-PWSUYJOCSA-N 1 0 331.351 2.051 20 5 EEBDRO CC(C)(C)N(c1ccc([N+](=O)[O-])c(N)n1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670879 1321562349 /nfs/dbraw/zinc/56/23/49/1321562349.db2.gz VCTJVKCSPYAUGW-GFCCVEGCSA-N 1 0 349.435 2.088 20 5 EEBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC001166230694 1321683707 /nfs/dbraw/zinc/68/37/07/1321683707.db2.gz GCYFYLCTPWOHSA-UHFFFAOYSA-N 1 0 329.347 2.482 20 5 EEBDRO O=C(CCc1cncs1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001166751526 1321781560 /nfs/dbraw/zinc/78/15/60/1321781560.db2.gz UTBIPSPNZSEEME-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205223481 1322320076 /nfs/dbraw/zinc/32/00/76/1322320076.db2.gz CCRSGWMWXCKIJV-IAGOWNOFSA-N 1 0 337.464 2.450 20 5 EEBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001263251112 1322448328 /nfs/dbraw/zinc/44/83/28/1322448328.db2.gz AQTPXZJBEOVUAT-HNNXBMFYSA-N 1 0 346.431 2.457 20 5 EEBDRO C[NH2+]C1(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CCCCC1 ZINC001307196597 1329821268 /nfs/dbraw/zinc/82/12/68/1329821268.db2.gz XERDTXYXRPTQIL-UHFFFAOYSA-N 1 0 336.392 2.419 20 5 EEBDRO COC(=O)Cc1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001307230383 1331519863 /nfs/dbraw/zinc/51/98/63/1331519863.db2.gz QDGIWJYWGRGNKW-CQSZACIVSA-N 1 0 333.388 2.064 20 5 EEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001318540542 1332557603 /nfs/dbraw/zinc/55/76/03/1332557603.db2.gz KNVYAWXVTYFWAC-DZGCQCFKSA-N 1 0 341.433 2.054 20 5 EEBDRO CCOc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC001322271594 1333239775 /nfs/dbraw/zinc/23/97/75/1333239775.db2.gz DMUBNICQEGZSJX-UHFFFAOYSA-N 1 0 334.376 2.331 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001609113898 1351849543 /nfs/dbraw/zinc/84/95/43/1351849543.db2.gz LOPPIBOWGXFZBP-LBPRGKRZSA-N 1 0 345.407 2.309 20 5 EEBDRO CC1CC[NH+](CCCNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001609168104 1351873194 /nfs/dbraw/zinc/87/31/94/1351873194.db2.gz QCMYBBJTPIZMCY-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2COC[C@H]2O)o1 ZINC001326504645 1334105884 /nfs/dbraw/zinc/10/58/84/1334105884.db2.gz RCEXVGICKVNFPF-TZMCWYRMSA-N 1 0 338.747 2.358 20 5 EEBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001609307458 1351926750 /nfs/dbraw/zinc/92/67/50/1351926750.db2.gz BHRDXDYXPJNSRN-MGPLVRAMSA-N 1 0 346.391 2.068 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001330613421 1334877581 /nfs/dbraw/zinc/87/75/81/1334877581.db2.gz KUTWSRKCLXXWEP-GFCCVEGCSA-N 1 0 332.404 2.193 20 5 EEBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC001330665218 1334884332 /nfs/dbraw/zinc/88/43/32/1334884332.db2.gz LGSMRUVYZWAITQ-UHFFFAOYSA-N 1 0 332.404 2.006 20 5 EEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NOCC[NH+](C)C ZINC001331187080 1334977420 /nfs/dbraw/zinc/97/74/20/1334977420.db2.gz NXBGGXDMVYPPAU-UHFFFAOYSA-N 1 0 327.406 2.318 20 5 EEBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001331283838 1334990498 /nfs/dbraw/zinc/99/04/98/1334990498.db2.gz VYUSSXGEOUCBQF-CYBMUJFWSA-N 1 0 334.420 2.487 20 5 EEBDRO CCN(CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1Br ZINC001333446016 1336048774 /nfs/dbraw/zinc/04/87/74/1336048774.db2.gz WNRASJWREZKSRL-UHFFFAOYSA-N 1 0 344.209 2.315 20 5 EEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333603172 1336084761 /nfs/dbraw/zinc/08/47/61/1336084761.db2.gz ABTKHZZWXBVDKH-AWEZNQCLSA-N 1 0 332.404 2.493 20 5 EEBDRO C[N@@H+]1CCCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001337304892 1336680228 /nfs/dbraw/zinc/68/02/28/1336680228.db2.gz CHJYZYDYCUUMCS-MRXNPFEDSA-N 1 0 348.447 2.323 20 5 EEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001338766510 1336905448 /nfs/dbraw/zinc/90/54/48/1336905448.db2.gz OVRATWPZHKSVND-HNNXBMFYSA-N 1 0 334.420 2.311 20 5 EEBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC001339229919 1336978469 /nfs/dbraw/zinc/97/84/69/1336978469.db2.gz BREVNUSSZVQNCG-UHFFFAOYSA-N 1 0 326.356 2.389 20 5 EEBDRO Cn1c2ccccc2c(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC001342864925 1337323087 /nfs/dbraw/zinc/32/30/87/1337323087.db2.gz UUEYVYOHXVIKKL-CYBMUJFWSA-N 1 0 342.399 2.121 20 5 EEBDRO COC1CC[NH+](CCNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001344875431 1337414143 /nfs/dbraw/zinc/41/41/43/1337414143.db2.gz LUJIQMQSGPLCGQ-UHFFFAOYSA-N 1 0 336.392 2.136 20 5 EEBDRO CN(CCNC(=O)CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100144204 1338065758 /nfs/dbraw/zinc/06/57/58/1338065758.db2.gz UPRKLFBSKVTQFI-UHFFFAOYSA-N 1 0 334.420 2.023 20 5 EEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001576017094 1343946440 /nfs/dbraw/zinc/94/64/40/1343946440.db2.gz NXXHBLPOEQWQHS-HZSPNIEDSA-N 1 0 334.420 2.467 20 5 EEBDRO CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH3+])CC1 ZINC001577267489 1344117187 /nfs/dbraw/zinc/11/71/87/1344117187.db2.gz RIGOIFZQAPKDJE-UHFFFAOYSA-N 1 0 344.419 2.438 20 5 EEBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC(C)(C)C[NH2+]2)c1[N+](=O)[O-] ZINC001578852892 1344308650 /nfs/dbraw/zinc/30/86/50/1344308650.db2.gz GGMMQRQYMSMPHL-LLVKDONJSA-N 1 0 336.392 2.275 20 5 EEBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH2+]CC1 ZINC001579480867 1344387761 /nfs/dbraw/zinc/38/77/61/1344387761.db2.gz HCHUMRXIAATREF-NSHDSACASA-N 1 0 330.388 2.123 20 5 EEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@]12CCC[NH2+]C2 ZINC001579642767 1344402502 /nfs/dbraw/zinc/40/25/02/1344402502.db2.gz UYCIFEMBOBASCC-GOSISDBHSA-N 1 0 346.431 2.450 20 5 EEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC001579877172 1344424925 /nfs/dbraw/zinc/42/49/25/1344424925.db2.gz BEEPPVUTGAHTDY-OAHLLOKOSA-N 1 0 345.403 2.039 20 5 EEBDRO [NH3+]CC1(CC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001580241944 1344498560 /nfs/dbraw/zinc/49/85/60/1344498560.db2.gz UPSIMRHGKMMXTN-UHFFFAOYSA-N 1 0 328.166 2.425 20 5 EEBDRO Nc1c(Cl)cc(C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001580431754 1344519515 /nfs/dbraw/zinc/51/95/15/1344519515.db2.gz USDPDNDHBILTRR-UHFFFAOYSA-N 1 0 338.795 2.092 20 5 EEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001580699687 1344551855 /nfs/dbraw/zinc/55/18/55/1344551855.db2.gz XLUDHRICQKAYSQ-SFHVURJKSA-N 1 0 346.431 2.455 20 5 EEBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001589630401 1349013038 /nfs/dbraw/zinc/01/30/38/1349013038.db2.gz WWAMKNRKGLUTFA-UHFFFAOYSA-N 1 0 345.407 2.307 20 5 EEBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001590258908 1349234485 /nfs/dbraw/zinc/23/44/85/1349234485.db2.gz FOYNSIOUNSAPLF-NEPJUHHUSA-N 1 0 345.407 2.307 20 5 EEBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590625066 1349379223 /nfs/dbraw/zinc/37/92/23/1349379223.db2.gz QDPDEEIFDUPXJJ-UHFFFAOYSA-N 1 0 345.407 2.087 20 5 EEBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001593476154 1349809231 /nfs/dbraw/zinc/80/92/31/1349809231.db2.gz XGGNKRUITAIMQV-UHFFFAOYSA-N 1 0 349.314 2.099 20 5 EEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1-c1nn[nH]n1 ZINC001593478071 1349810363 /nfs/dbraw/zinc/81/03/63/1349810363.db2.gz QEXGXMGKDDUNDO-UHFFFAOYSA-N 1 0 343.391 2.061 20 5 EEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C[NH+]1CCCCC1 ZINC001603555947 1350719513 /nfs/dbraw/zinc/71/95/13/1350719513.db2.gz SJDJPHVSXWIKGA-GFCCVEGCSA-N 1 0 345.407 2.309 20 5 EEBDRO C[NH+](C)CC1(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCCC1 ZINC001604681247 1350983660 /nfs/dbraw/zinc/98/36/60/1350983660.db2.gz WKEUKPCNAFOUAP-UHFFFAOYSA-N 1 0 345.407 2.309 20 5 EEBDRO Cc1nn(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853560079 1369350469 /nfs/dbraw/zinc/35/04/69/1369350469.db2.gz LJBGLIKEWQHEQT-KRWDZBQOSA-N 1 0 343.431 2.306 20 5 EEBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](O)c1ccccc1 ZINC000794606360 1369582916 /nfs/dbraw/zinc/58/29/16/1369582916.db2.gz QVKXEZPVOZPGGL-MSOLQXFVSA-N 1 0 345.399 2.104 20 5 EEBDRO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000843323529 1369921724 /nfs/dbraw/zinc/92/17/24/1369921724.db2.gz WIZQBSMHJOVODK-SFYZADRCSA-N 1 0 337.348 2.129 20 5 EEBDRO Cc1cnc(N[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001103652572 1371047800 /nfs/dbraw/zinc/04/78/00/1371047800.db2.gz NKKSJZDISDYGEJ-HDJSIYSDSA-N 1 0 349.435 2.089 20 5 EEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001116536245 1371729715 /nfs/dbraw/zinc/72/97/15/1371729715.db2.gz GDQJFGSHJQOMIM-LBPRGKRZSA-N 1 0 336.392 2.457 20 5 EEBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCOCC1 ZINC001754029807 1406810826 /nfs/dbraw/zinc/81/08/26/1406810826.db2.gz OEUYMJLSGGWIMA-UHFFFAOYSA-N 1 0 341.433 2.021 20 5 EEBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ocnc1C ZINC001754038427 1406819860 /nfs/dbraw/zinc/81/98/60/1406819860.db2.gz CPVYJBCGPKBTFQ-UHFFFAOYSA-N 1 0 332.360 2.143 20 5 EEBDRO C[C@H]1[NH2+]CCn2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC001576895000 1403616344 /nfs/dbraw/zinc/61/63/44/1403616344.db2.gz UURVNHMAAPDXSY-SECBINFHSA-N 1 0 340.343 2.189 20 5 EEBDRO CC[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590521323 1403884686 /nfs/dbraw/zinc/88/46/86/1403884686.db2.gz CEQNNIQQKNAYJL-JTQLQIEISA-N 1 0 334.405 2.102 20 5 EEBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001164672376 719447964 /nfs/dbraw/zinc/44/79/64/719447964.db2.gz RCRRVLLXWPFLMA-CABCVRRESA-N 1 0 348.790 2.316 20 5 EEBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021049838 757654563 /nfs/dbraw/zinc/65/45/63/757654563.db2.gz WAZCHRYZHZWCTK-HAQNSBGRSA-N 1 0 334.401 2.343 20 5 EEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167677130 761172999 /nfs/dbraw/zinc/17/29/99/761172999.db2.gz JILYZSYVBAZGRF-UHFFFAOYSA-N 1 0 331.376 2.123 20 5 EEBDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000068510766 774617310 /nfs/dbraw/zinc/61/73/10/774617310.db2.gz CITDBUIDXYPHEF-ZDUSSCGKSA-N 1 0 334.420 2.480 20 5 EEBDRO O=C(Cc1ccco1)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000982325936 779730652 /nfs/dbraw/zinc/73/06/52/779730652.db2.gz VWZPDMVSAVEAMR-UHFFFAOYSA-N 1 0 343.383 2.465 20 5 EEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)nc2c1 ZINC000894057528 780474390 /nfs/dbraw/zinc/47/43/90/780474390.db2.gz XSIHRVZMAURMFX-GPMVNZHBSA-N 1 0 328.372 2.374 20 5 EEBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CCOCC1 ZINC001131812652 783293612 /nfs/dbraw/zinc/29/36/12/783293612.db2.gz MBUAVXFHGDSUNV-UHFFFAOYSA-N 1 0 347.415 2.007 20 5 EEBDRO CC(C)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1[N+](=O)[O-] ZINC000905981771 783615651 /nfs/dbraw/zinc/61/56/51/783615651.db2.gz ZAMYCHHSLXHMII-SNVBAGLBSA-N 1 0 347.209 2.437 20 5 EEBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000906356490 783863253 /nfs/dbraw/zinc/86/32/53/783863253.db2.gz WGFWNFBTQBRDBN-CQSZACIVSA-N 1 0 335.404 2.342 20 5 EEBDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000061045051 790991723 /nfs/dbraw/zinc/99/17/23/790991723.db2.gz JSNFRQPAKAJEHQ-UHFFFAOYSA-N 1 0 349.412 2.135 20 5 EEBDRO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000997772191 791043106 /nfs/dbraw/zinc/04/31/06/791043106.db2.gz LYUYKEWZFLQOAD-HUUCEWRRSA-N 1 0 337.445 2.050 20 5 EEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3CC4(CCC4)C3)C2)CC1 ZINC001035706040 784987610 /nfs/dbraw/zinc/98/76/10/784987610.db2.gz DWGMWFVPXNGDFX-HZPDHXFCSA-N 1 0 347.459 2.156 20 5 EEBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818519571 785268907 /nfs/dbraw/zinc/26/89/07/785268907.db2.gz YRPQNTKXBMQCJF-OAHLLOKOSA-N 1 0 338.364 2.305 20 5 EEBDRO CC[N@@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910280500 786611263 /nfs/dbraw/zinc/61/12/63/786611263.db2.gz BRFZMTGUFXLKBG-JTQLQIEISA-N 1 0 349.416 2.156 20 5 EEBDRO COc1cc(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000822861757 787441055 /nfs/dbraw/zinc/44/10/55/787441055.db2.gz FTCPYFVCAJPALY-MEDUHNTESA-N 1 0 330.344 2.044 20 5 EEBDRO CC[C@H]1C[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823194972 787613935 /nfs/dbraw/zinc/61/39/35/787613935.db2.gz LBUCIYVGFJTDQS-LBPRGKRZSA-N 1 0 338.383 2.089 20 5 EEBDRO CC(C)(CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000823789637 787946005 /nfs/dbraw/zinc/94/60/05/787946005.db2.gz NLMODAPZOSJKOS-HNNXBMFYSA-N 1 0 335.404 2.009 20 5 EEBDRO CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000843843642 788685552 /nfs/dbraw/zinc/68/55/52/788685552.db2.gz SKMGSCBPYVLJBY-OLZOCXBDSA-N 1 0 341.408 2.160 20 5 EEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC000913290761 788767378 /nfs/dbraw/zinc/76/73/78/788767378.db2.gz REKULFREBUPGSY-CALCHBBNSA-N 1 0 333.388 2.017 20 5 EEBDRO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1 ZINC000846368215 790155803 /nfs/dbraw/zinc/15/58/03/790155803.db2.gz FCYMXXNYMJWRRX-UHFFFAOYSA-N 1 0 349.435 2.347 20 5 EEBDRO CC[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000172171317 791568292 /nfs/dbraw/zinc/56/82/92/791568292.db2.gz MLZYFUIOWNWQLM-UHFFFAOYSA-N 1 0 348.447 2.221 20 5 EEBDRO CCCc1nc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001147940569 792046273 /nfs/dbraw/zinc/04/62/73/792046273.db2.gz XSPUWLVRENERGA-UHFFFAOYSA-N 1 0 346.387 2.363 20 5 EEBDRO CC(C)(C(=O)NCCNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001094033179 795885943 /nfs/dbraw/zinc/88/59/43/795885943.db2.gz DJMLKGNSWLNMSB-UHFFFAOYSA-N 1 0 338.383 2.136 20 5 EEBDRO CC(=O)N1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172922207 797152817 /nfs/dbraw/zinc/15/28/17/797152817.db2.gz XHOGJYFTCNGBDM-GUYCJALGSA-N 1 0 331.416 2.395 20 5 EEBDRO CO[C@@H](C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008459 797195418 /nfs/dbraw/zinc/19/54/18/797195418.db2.gz ZPKVGQPPVYDHDD-JTQLQIEISA-N 1 0 329.347 2.466 20 5 EEBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173182401 797280063 /nfs/dbraw/zinc/28/00/63/797280063.db2.gz ROTPVNMUMVSQJD-QWRGUYRKSA-N 1 0 340.351 2.168 20 5 EEBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173220485 797301545 /nfs/dbraw/zinc/30/15/45/797301545.db2.gz FJHHXOXJLSWFFW-GFCCVEGCSA-N 1 0 329.356 2.497 20 5 EEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000130444478 797333011 /nfs/dbraw/zinc/33/30/11/797333011.db2.gz IZOOPYDNYILWHK-ZDUSSCGKSA-N 1 0 332.404 2.067 20 5 EEBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001095233897 797566557 /nfs/dbraw/zinc/56/65/57/797566557.db2.gz YDLOTXIKDFWFON-UHFFFAOYSA-N 1 0 349.435 2.043 20 5 EEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000917008932 798016574 /nfs/dbraw/zinc/01/65/74/798016574.db2.gz VWXUSGADSKSSDU-INIZCTEOSA-N 1 0 348.403 2.360 20 5 EEBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110191292 798280643 /nfs/dbraw/zinc/28/06/43/798280643.db2.gz NWWCPXPXAJSIGY-UHFFFAOYSA-N 1 0 334.420 2.387 20 5 EEBDRO O=C(CCc1nccs1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176434961 798448296 /nfs/dbraw/zinc/44/82/96/798448296.db2.gz DLDCRKUSAHLMLP-UHFFFAOYSA-N 1 0 348.428 2.280 20 5 EEBDRO CC(C)c1ncncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151266509 801323450 /nfs/dbraw/zinc/32/34/50/801323450.db2.gz XJHUQHAVZSIKNE-UHFFFAOYSA-N 1 0 343.387 2.028 20 5 EEBDRO CCC(=O)NCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001112640512 806910900 /nfs/dbraw/zinc/91/09/00/806910900.db2.gz VHSRONOGRUGUPC-UHFFFAOYSA-N 1 0 348.447 2.413 20 5 EEBDRO C[NH+]1CCN(C(=N)Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001168735463 801986509 /nfs/dbraw/zinc/98/65/09/801986509.db2.gz QBWXOAZGPGCIRR-UHFFFAOYSA-N 1 0 340.387 2.251 20 5 EEBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084586 802116537 /nfs/dbraw/zinc/11/65/37/802116537.db2.gz WWWDKHOUMFWKKB-YYIAUSFCSA-N 1 0 337.464 2.497 20 5 EEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922885605 802304724 /nfs/dbraw/zinc/30/47/24/802304724.db2.gz RAUWGWGAWKXEKY-UHFFFAOYSA-N 1 0 347.415 2.276 20 5 EEBDRO Cc1cnoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086243100 802582157 /nfs/dbraw/zinc/58/21/57/802582157.db2.gz SIBUFZMECRNSKC-XBXGTLAGSA-N 1 0 344.371 2.189 20 5 EEBDRO CC(C)(C)OC(=O)NC12CC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001169001274 803566495 /nfs/dbraw/zinc/56/64/95/803566495.db2.gz FEKGESZCTDQVGX-CPWXYTRJSA-N 1 0 325.409 2.221 20 5 EEBDRO CC(C)(C)OC(=O)[C@@H]1CCCCN1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988011 803572394 /nfs/dbraw/zinc/57/23/94/803572394.db2.gz MNVNBMJWJAZATD-KFWWJZLASA-N 1 0 341.452 2.175 20 5 EEBDRO O=C(Nc1ccccc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037967 803582056 /nfs/dbraw/zinc/58/20/56/803582056.db2.gz UMJPKUGKPVGJFS-GOEBONIOSA-N 1 0 332.404 2.282 20 5 EEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)C1 ZINC001169020583 803587629 /nfs/dbraw/zinc/58/76/29/803587629.db2.gz JKCNCBRYRNQLFI-YYWYGQEZSA-N 1 0 338.448 2.480 20 5 EEBDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022225 803588366 /nfs/dbraw/zinc/58/83/66/803588366.db2.gz QWRZCNJRMGTTJB-YYIAUSFCSA-N 1 0 326.437 2.339 20 5 EEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)C1 ZINC001169026419 803591916 /nfs/dbraw/zinc/59/19/16/803591916.db2.gz WSWDPBGKQGFKJE-HZPDHXFCSA-N 1 0 343.431 2.384 20 5 EEBDRO C[NH+](C)CCOc1cc(NC[C@@H]2COC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001169910492 804200457 /nfs/dbraw/zinc/20/04/57/804200457.db2.gz QFKBRNXCKSAKHR-CYBMUJFWSA-N 1 0 339.392 2.099 20 5 EEBDRO CN(CCCNc1cccc(F)c1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001109454675 805492349 /nfs/dbraw/zinc/49/23/49/805492349.db2.gz MBYIVMSBZJDWFC-UHFFFAOYSA-N 1 0 338.383 2.090 20 5 EEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc([N+](=O)[O-])c1C ZINC000790333164 808628015 /nfs/dbraw/zinc/62/80/15/808628015.db2.gz KKIXLZMEHYINIX-AWEZNQCLSA-N 1 0 336.461 2.352 20 5 EEBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000791930090 809486409 /nfs/dbraw/zinc/48/64/09/809486409.db2.gz KHEHZUZNNLLCJH-UHFFFAOYSA-N 1 0 331.166 2.466 20 5 EEBDRO COC(=O)C1CC(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170311364 809885230 /nfs/dbraw/zinc/88/52/30/809885230.db2.gz AZAGFGULXQMNTR-DCBWTQNWSA-N 1 0 336.388 2.323 20 5 EEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnn2CCF)c([N+](=O)[O-])c1 ZINC001170322859 809890287 /nfs/dbraw/zinc/89/02/87/809890287.db2.gz HQBHUICSHRFBGY-LBPRGKRZSA-N 1 0 336.367 2.490 20 5 EEBDRO COC(=O)C1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170336563 809898897 /nfs/dbraw/zinc/89/88/97/809898897.db2.gz ZIKOVTOJDXCMBD-LBPRGKRZSA-N 1 0 336.388 2.419 20 5 EEBDRO COc1ccc(C[C@@H](C)[N@H+](C)C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170346552 809916866 /nfs/dbraw/zinc/91/68/66/809916866.db2.gz ODMUUMMKWCPJKX-CYBMUJFWSA-N 1 0 349.431 2.477 20 5 EEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC001170351418 809920158 /nfs/dbraw/zinc/92/01/58/809920158.db2.gz BYRLOGVSWHKPDX-DZGCQCFKSA-N 1 0 345.403 2.463 20 5 EEBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC001129492345 810873938 /nfs/dbraw/zinc/87/39/38/810873938.db2.gz XLZRLDCBYWUYAU-UHFFFAOYSA-N 1 0 335.310 2.393 20 5 EEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncc2[nH]ccc21 ZINC001130833792 812085458 /nfs/dbraw/zinc/08/54/58/812085458.db2.gz MACSARRAARRCAY-UHFFFAOYSA-N 1 0 345.384 2.052 20 5 EEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000808191110 812504908 /nfs/dbraw/zinc/50/49/08/812504908.db2.gz KSAPMGSDNGCORJ-STQMWFEESA-N 1 0 346.387 2.019 20 5 EEBDRO